NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
515739 | 1xyd | 5895 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 0 HT1 MET 0 -12.812 2.774 16.171 2 2H MET 0 HT2 MET 0 -12.350 1.148 16.333 3 3H MET 0 HT3 MET 0 -12.566 1.822 14.789 4 HA MET 0 HA MET 0 -10.700 3.374 16.224 5 1HB MET 0 HB2 MET 0 -10.524 1.005 17.336 6 2HB MET 0 HB1 MET 0 -9.764 0.530 15.819 7 1HG MET 0 HG2 MET 0 -7.935 1.189 17.146 8 2HG MET 0 HG1 MET 0 -8.258 2.631 16.183 9 1HE MET 0 HE1 MET 0 -6.546 2.780 18.324 10 2HE MET 0 HE2 MET 0 -7.056 3.715 19.727 11 3HE MET 0 HE3 MET 0 -7.114 4.444 18.125 12 H SER 1 HN SER 1 -9.116 4.036 14.707 13 HA SER 1 HA SER 1 -9.712 3.276 11.904 14 1HB SER 1 HB2 SER 1 -7.961 5.152 11.488 15 2HB SER 1 HB1 SER 1 -9.540 5.610 12.121 16 HG SER 1 HG SER 1 -7.363 4.981 13.815 17 H GLU 2 HN GLU 2 -8.782 1.100 12.349 18 HA GLU 2 HA GLU 2 -6.130 0.505 13.041 19 1HB GLU 2 HB2 GLU 2 -7.932 -0.770 10.979 20 2HB GLU 2 HB1 GLU 2 -6.326 -1.410 11.333 21 1HG GLU 2 HG2 GLU 2 -6.944 -1.613 13.722 22 2HG GLU 2 HG1 GLU 2 -8.558 -1.007 13.348 23 H LEU 3 HN LEU 3 -7.379 1.893 10.077 24 HA LEU 3 HA LEU 3 -4.948 1.632 8.548 25 1HB LEU 3 HB2 LEU 3 -7.574 2.956 8.259 26 2HB LEU 3 HB1 LEU 3 -6.271 3.823 7.460 27 HG LEU 3 HG LEU 3 -7.525 2.080 6.067 28 1HD1 LEU 3 HD11 LEU 3 -4.543 2.273 6.372 29 2HD1 LEU 3 HD12 LEU 3 -5.580 2.840 5.066 30 3HD1 LEU 3 HD13 LEU 3 -5.218 1.123 5.219 31 1HD2 LEU 3 HD21 LEU 3 -5.754 -0.047 7.191 32 2HD2 LEU 3 HD22 LEU 3 -7.372 -0.161 6.513 33 3HD2 LEU 3 HD23 LEU 3 -7.155 0.394 8.169 34 H GLU 4 HN GLU 4 -5.922 3.784 11.081 35 HA GLU 4 HA GLU 4 -4.172 5.984 10.343 36 1HB GLU 4 HB2 GLU 4 -6.001 6.388 11.907 37 2HB GLU 4 HB1 GLU 4 -5.365 5.174 13.014 38 1HG GLU 4 HG2 GLU 4 -3.418 6.493 13.487 39 2HG GLU 4 HG1 GLU 4 -3.782 7.611 12.172 40 H LYS 5 HN LYS 5 -3.858 2.957 11.975 41 HA LYS 5 HA LYS 5 -1.281 3.464 13.216 42 1HB LYS 5 HB2 LYS 5 -2.106 0.682 12.397 43 2HB LYS 5 HB1 LYS 5 -1.310 1.216 13.874 44 1HG LYS 5 HG2 LYS 5 -4.209 1.788 13.198 45 2HG LYS 5 HG1 LYS 5 -3.675 0.449 14.194 46 1HD LYS 5 HD2 LYS 5 -3.031 1.818 15.960 47 2HD LYS 5 HD1 LYS 5 -2.770 3.219 14.927 48 1HE LYS 5 HE2 LYS 5 -5.162 3.498 14.616 49 2HE LYS 5 HE1 LYS 5 -5.485 2.023 15.524 50 1HZ LYS 5 HZ1 LYS 5 -5.785 3.820 17.006 51 2HZ LYS 5 HZ2 LYS 5 -4.329 4.558 16.537 52 3HZ LYS 5 HZ3 LYS 5 -4.303 3.110 17.425 53 H ALA 6 HN ALA 6 -2.333 1.795 10.265 54 HA ALA 6 HA ALA 6 0.279 1.164 9.314 55 1HB ALA 6 HB1 ALA 6 -0.799 0.740 7.184 56 2HB ALA 6 HB2 ALA 6 -2.190 1.711 7.656 57 3HB ALA 6 HB3 ALA 6 -1.869 0.180 8.468 58 H MET 7 HN MET 7 -1.893 3.807 8.321 59 HA MET 7 HA MET 7 -0.144 5.106 6.571 60 1HB MET 7 HB2 MET 7 -2.129 6.335 8.514 61 2HB MET 7 HB1 MET 7 -1.351 7.225 7.207 62 1HG MET 7 HG2 MET 7 -2.446 5.939 5.535 63 2HG MET 7 HG1 MET 7 -2.926 4.697 6.692 64 1HE MET 7 HE1 MET 7 -5.333 5.476 5.034 65 2HE MET 7 HE2 MET 7 -4.324 6.808 4.471 66 3HE MET 7 HE3 MET 7 -5.915 7.140 5.148 67 H VAL 8 HN VAL 8 -0.258 5.324 10.113 68 HA VAL 8 HA VAL 8 1.875 7.330 10.163 69 HB VAL 8 HB VAL 8 0.548 5.669 12.326 70 1HG1 VAL 8 HG11 VAL 8 2.791 7.693 12.493 71 2HG1 VAL 8 HG12 VAL 8 2.756 6.055 13.147 72 3HG1 VAL 8 HG13 VAL 8 1.757 7.316 13.872 73 1HG2 VAL 8 HG21 VAL 8 0.463 8.618 11.613 74 2HG2 VAL 8 HG22 VAL 8 -0.364 7.883 12.986 75 3HG2 VAL 8 HG23 VAL 8 -0.830 7.450 11.341 76 H ALA 9 HN ALA 9 1.613 3.832 10.701 77 HA ALA 9 HA ALA 9 4.312 3.449 11.545 78 1HB ALA 9 HB1 ALA 9 3.961 1.095 10.952 79 2HB ALA 9 HB2 ALA 9 2.524 1.527 10.024 80 3HB ALA 9 HB3 ALA 9 2.536 1.727 11.777 81 H LEU 10 HN LEU 10 2.834 3.673 8.311 82 HA LEU 10 HA LEU 10 5.348 2.881 7.024 83 1HB LEU 10 HB2 LEU 10 2.610 3.650 6.109 84 2HB LEU 10 HB1 LEU 10 3.924 3.922 4.966 85 HG LEU 10 HG LEU 10 4.636 1.543 5.282 86 1HD1 LEU 10 HD11 LEU 10 3.662 1.231 7.532 87 2HD1 LEU 10 HD12 LEU 10 3.083 0.003 6.407 88 3HD1 LEU 10 HD13 LEU 10 2.044 1.360 6.844 89 1HD2 LEU 10 HD21 LEU 10 3.008 2.353 3.488 90 2HD2 LEU 10 HD22 LEU 10 1.720 1.710 4.507 91 3HD2 LEU 10 HD23 LEU 10 2.957 0.631 3.862 92 H ILE 11 HN ILE 11 3.581 6.001 7.299 93 HA ILE 11 HA ILE 11 5.267 7.625 5.807 94 HB ILE 11 HB ILE 11 3.883 8.180 8.442 95 1HG1 ILE 11 HG12 ILE 11 3.344 9.211 5.645 96 2HG1 ILE 11 HG11 ILE 11 2.609 7.743 6.280 97 1HG2 ILE 11 HG21 ILE 11 5.543 10.020 6.703 98 2HG2 ILE 11 HG22 ILE 11 5.652 9.779 8.447 99 3HG2 ILE 11 HG23 ILE 11 4.272 10.636 7.761 100 1HD1 ILE 11 HD11 ILE 11 2.278 10.573 7.294 101 2HD1 ILE 11 HD12 ILE 11 1.792 9.170 8.245 102 3HD1 ILE 11 HD13 ILE 11 1.027 9.488 6.689 103 H ASP 12 HN ASP 12 5.947 6.106 8.890 104 HA ASP 12 HA ASP 12 8.380 7.663 9.353 105 1HB ASP 12 HB2 ASP 12 7.080 6.662 11.228 106 2HB ASP 12 HB1 ASP 12 7.485 5.056 10.619 107 H VAL 13 HN VAL 13 7.671 4.312 8.365 108 HA VAL 13 HA VAL 13 10.470 3.770 7.756 109 HB VAL 13 HB VAL 13 7.953 2.228 7.032 110 1HG1 VAL 13 HG11 VAL 13 10.895 1.547 6.881 111 2HG1 VAL 13 HG12 VAL 13 9.704 1.501 5.580 112 3HG1 VAL 13 HG13 VAL 13 9.629 0.317 6.887 113 1HG2 VAL 13 HG21 VAL 13 8.065 2.248 9.394 114 2HG2 VAL 13 HG22 VAL 13 9.827 2.183 9.402 115 3HG2 VAL 13 HG23 VAL 13 8.895 0.756 8.957 116 H PHE 14 HN PHE 14 7.692 4.979 6.053 117 HA PHE 14 HA PHE 14 8.767 4.519 3.380 118 1HB PHE 14 HB2 PHE 14 6.433 4.792 3.378 119 2HB PHE 14 HB1 PHE 14 6.494 6.150 4.493 120 HD1 PHE 14 HD1 PHE 14 5.743 8.115 3.464 121 HD2 PHE 14 HD2 PHE 14 8.209 5.384 1.245 122 HE1 PHE 14 HE1 PHE 14 5.774 9.695 1.555 123 HE2 PHE 14 HE2 PHE 14 8.238 6.966 -0.665 124 HZ PHE 14 HZ PHE 14 7.023 9.121 -0.508 125 H HIS 15 HN HIS 15 8.581 7.375 5.518 126 HA HIS 15 HA HIS 15 10.078 9.039 3.685 127 1HB HIS 15 HB2 HIS 15 8.444 9.740 5.592 128 2HB HIS 15 HB1 HIS 15 9.846 9.578 6.647 129 HD1 HIS 15 HD1 HIS 15 10.940 11.788 6.974 130 HD2 HIS 15 HD2 HIS 15 9.424 11.403 3.110 131 HE1 HIS 15 HE1 HIS 15 11.528 13.929 5.756 132 H GLN 16 HN GLN 16 10.971 7.047 6.495 133 HA GLN 16 HA GLN 16 13.641 8.071 6.744 134 1HB GLN 16 HB2 GLN 16 12.367 5.437 7.510 135 2HB GLN 16 HB1 GLN 16 14.068 5.782 7.828 136 1HG GLN 16 HG2 GLN 16 11.865 7.657 8.704 137 2HG GLN 16 HG1 GLN 16 12.418 6.327 9.721 138 1HE2 GLN 16 HE21 GLN 16 12.862 8.750 10.851 139 2HE2 GLN 16 HE22 GLN 16 14.484 9.228 10.710 140 H TYR 17 HN TYR 17 12.245 5.501 4.746 141 HA TYR 17 HA TYR 17 14.920 4.860 3.622 142 1HB TYR 17 HB2 TYR 17 12.157 3.669 3.349 143 2HB TYR 17 HB1 TYR 17 13.432 3.249 2.208 144 HD1 TYR 17 HD1 TYR 17 12.598 3.328 5.848 145 HD2 TYR 17 HD2 TYR 17 15.120 1.683 2.787 146 HE1 TYR 17 HE1 TYR 17 13.526 1.713 7.483 147 HE2 TYR 17 HE2 TYR 17 16.054 0.072 4.424 148 HH TYR 17 HH TYR 17 14.789 -0.126 7.734 149 H SER 18 HN SER 18 11.714 5.764 2.265 150 HA SER 18 HA SER 18 12.665 6.428 -0.317 151 1HB SER 18 HB2 SER 18 10.623 7.604 -0.627 152 2HB SER 18 HB1 SER 18 10.227 6.344 0.539 153 HG SER 18 HG SER 18 10.771 8.016 2.160 154 H GLY 19 HN GLY 19 12.785 8.185 2.720 155 1HA GLY 19 HA2 GLY 19 13.842 10.621 1.399 156 2HA GLY 19 HA1 GLY 19 13.447 10.462 3.108 157 H ARG 20 HN ARG 20 15.151 7.711 2.382 158 HA ARG 20 HA ARG 20 17.475 8.486 3.846 159 1HB ARG 20 HB2 ARG 20 16.863 6.135 3.573 160 2HB ARG 20 HB1 ARG 20 17.055 6.258 1.827 161 1HG ARG 20 HG2 ARG 20 19.498 6.814 2.215 162 2HG ARG 20 HG1 ARG 20 19.240 6.483 3.926 163 1HD ARG 20 HD2 ARG 20 18.517 4.464 1.803 164 2HD ARG 20 HD1 ARG 20 20.150 4.567 2.457 165 HE ARG 20 HE ARG 20 18.451 4.445 4.685 166 1HH1 ARG 20 HH21 ARG 20 19.197 2.589 1.879 167 2HH1 ARG 20 HH22 ARG 20 18.871 1.065 2.636 168 1HH2 ARG 20 HH11 ARG 20 18.020 2.470 5.691 169 2HH2 ARG 20 HH12 ARG 20 18.202 0.998 4.796 170 H GLU 21 HN GLU 21 16.768 8.337 0.393 171 HA GLU 21 HA GLU 21 18.894 10.321 -0.124 172 1HB GLU 21 HB2 GLU 21 19.746 8.767 -2.043 173 2HB GLU 21 HB1 GLU 21 20.295 8.454 -0.397 174 1HG GLU 21 HG2 GLU 21 18.603 6.717 -0.116 175 2HG GLU 21 HG1 GLU 21 17.938 7.070 -1.711 176 H GLY 22 HN GLY 22 18.864 10.923 -2.529 177 1HA GLY 22 HA2 GLY 22 17.654 11.172 -4.598 178 2HA GLY 22 HA1 GLY 22 16.250 10.407 -3.850 179 H ASP 23 HN ASP 23 15.195 12.393 -4.871 180 HA ASP 23 HA ASP 23 15.643 15.038 -4.057 181 1HB ASP 23 HB2 ASP 23 12.902 13.783 -4.379 182 2HB ASP 23 HB1 ASP 23 13.332 15.478 -4.613 183 H LYS 24 HN LYS 24 13.090 12.986 -2.599 184 HA LYS 24 HA LYS 24 13.962 13.280 0.080 185 1HB LYS 24 HB2 LYS 24 12.763 15.672 -1.014 186 2HB LYS 24 HB1 LYS 24 11.669 15.035 0.205 187 1HG LYS 24 HG2 LYS 24 14.630 15.400 0.733 188 2HG LYS 24 HG1 LYS 24 13.449 16.675 1.028 189 1HD LYS 24 HD2 LYS 24 12.196 15.183 2.538 190 2HD LYS 24 HD1 LYS 24 13.370 13.899 2.249 191 1HE LYS 24 HE2 LYS 24 15.162 15.340 3.162 192 2HE LYS 24 HE1 LYS 24 13.974 16.604 3.478 193 1HZ LYS 24 HZ1 LYS 24 13.679 13.872 4.569 194 2HZ LYS 24 HZ2 LYS 24 12.903 15.297 5.071 195 3HZ LYS 24 HZ3 LYS 24 14.556 15.071 5.388 196 H HIS 25 HN HIS 25 11.774 12.254 -2.276 197 HA HIS 25 HA HIS 25 10.426 10.537 -0.289 198 1HB HIS 25 HB2 HIS 25 8.685 12.156 -2.151 199 2HB HIS 25 HB1 HIS 25 8.208 11.228 -0.731 200 HD2 HIS 25 HD2 HIS 25 9.082 14.833 -1.619 201 HE1 HIS 25 HE1 HIS 25 9.446 14.557 2.579 202 HE2 HIS 25 HE2 HIS 25 9.335 16.157 0.614 203 H LYS 26 HN LYS 26 12.196 9.674 -2.289 204 HA LYS 26 HA LYS 26 10.323 8.219 -4.107 205 1HB LYS 26 HB2 LYS 26 11.681 10.066 -5.260 206 2HB LYS 26 HB1 LYS 26 13.114 9.122 -4.868 207 1HG LYS 26 HG2 LYS 26 12.466 7.322 -6.247 208 2HG LYS 26 HG1 LYS 26 10.788 7.850 -6.320 209 1HD LYS 26 HD2 LYS 26 12.935 9.659 -7.416 210 2HD LYS 26 HD1 LYS 26 12.404 8.279 -8.373 211 1HE LYS 26 HE2 LYS 26 10.106 9.061 -8.336 212 2HE LYS 26 HE1 LYS 26 10.523 10.367 -7.229 213 1HZ LYS 26 HZ1 LYS 26 10.397 10.767 -9.795 214 2HZ LYS 26 HZ2 LYS 26 11.984 10.161 -9.761 215 3HZ LYS 26 HZ3 LYS 26 11.577 11.540 -8.854 216 H LEU 27 HN LEU 27 10.882 6.023 -4.366 217 HA LEU 27 HA LEU 27 12.787 5.017 -2.344 218 1HB LEU 27 HB2 LEU 27 10.315 4.197 -2.882 219 2HB LEU 27 HB1 LEU 27 11.120 3.236 -4.105 220 HG LEU 27 HG LEU 27 10.710 2.053 -1.926 221 1HD1 LEU 27 HD11 LEU 27 12.328 1.119 -3.373 222 2HD1 LEU 27 HD12 LEU 27 13.003 1.082 -1.747 223 3HD1 LEU 27 HD13 LEU 27 13.532 2.297 -2.892 224 1HD2 LEU 27 HD21 LEU 27 11.694 2.629 0.073 225 2HD2 LEU 27 HD22 LEU 27 11.423 4.230 -0.610 226 3HD2 LEU 27 HD23 LEU 27 13.019 3.495 -0.695 227 H LYS 28 HN LYS 28 14.760 4.342 -2.829 228 HA LYS 28 HA LYS 28 15.489 3.783 -5.684 229 1HB LYS 28 HB2 LYS 28 17.140 4.640 -3.293 230 2HB LYS 28 HB1 LYS 28 17.859 4.077 -4.801 231 1HG LYS 28 HG2 LYS 28 16.475 5.858 -5.985 232 2HG LYS 28 HG1 LYS 28 16.104 6.507 -4.384 233 1HD LYS 28 HD2 LYS 28 18.554 6.655 -3.936 234 2HD LYS 28 HD1 LYS 28 18.853 6.163 -5.603 235 1HE LYS 28 HE2 LYS 28 17.703 8.730 -4.564 236 2HE LYS 28 HE1 LYS 28 18.902 8.483 -5.831 237 1HZ LYS 28 HZ1 LYS 28 16.956 9.083 -6.944 238 2HZ LYS 28 HZ2 LYS 28 15.973 8.096 -5.972 239 3HZ LYS 28 HZ3 LYS 28 17.022 7.397 -7.112 240 H LYS 29 HN LYS 29 16.764 1.850 -6.078 241 HA LYS 29 HA LYS 29 15.908 -0.477 -4.830 242 1HB LYS 29 HB2 LYS 29 17.447 -0.077 -6.940 243 2HB LYS 29 HB1 LYS 29 18.760 -0.327 -5.795 244 1HG LYS 29 HG2 LYS 29 18.045 -2.546 -5.297 245 2HG LYS 29 HG1 LYS 29 16.468 -2.294 -6.045 246 1HD LYS 29 HD2 LYS 29 17.957 -3.629 -7.501 247 2HD LYS 29 HD1 LYS 29 17.513 -2.097 -8.252 248 1HE LYS 29 HE2 LYS 29 20.046 -2.341 -6.630 249 2HE LYS 29 HE1 LYS 29 20.006 -2.815 -8.329 250 1HZ LYS 29 HZ1 LYS 29 18.760 -0.419 -8.342 251 2HZ LYS 29 HZ2 LYS 29 20.395 -0.671 -8.725 252 3HZ LYS 29 HZ3 LYS 29 19.951 -0.189 -7.157 253 H SER 30 HN SER 30 18.848 1.369 -3.980 254 HA SER 30 HA SER 30 19.903 -0.255 -1.975 255 1HB SER 30 HB2 SER 30 19.732 2.756 -2.143 256 2HB SER 30 HB1 SER 30 20.634 1.932 -0.874 257 HG SER 30 HG SER 30 21.091 2.046 -3.640 258 H GLU 31 HN GLU 31 16.839 1.104 -1.972 259 HA GLU 31 HA GLU 31 16.602 0.986 1.033 260 1HB GLU 31 HB2 GLU 31 14.914 2.253 -1.104 261 2HB GLU 31 HB1 GLU 31 14.240 1.916 0.480 262 1HG GLU 31 HG2 GLU 31 15.018 4.142 0.598 263 2HG GLU 31 HG1 GLU 31 16.255 3.200 1.416 264 H LEU 32 HN LEU 32 15.101 -0.173 -1.939 265 HA LEU 32 HA LEU 32 13.275 -1.913 -0.654 266 1HB LEU 32 HB2 LEU 32 13.942 -1.278 -3.311 267 2HB LEU 32 HB1 LEU 32 14.275 -2.998 -3.198 268 HG LEU 32 HG LEU 32 11.660 -1.761 -2.284 269 1HD1 LEU 32 HD11 LEU 32 12.411 -2.976 -4.956 270 2HD1 LEU 32 HD12 LEU 32 11.847 -1.334 -4.657 271 3HD1 LEU 32 HD13 LEU 32 10.752 -2.697 -4.433 272 1HD2 LEU 32 HD21 LEU 32 12.330 -4.611 -3.066 273 2HD2 LEU 32 HD22 LEU 32 10.869 -4.033 -2.265 274 3HD2 LEU 32 HD23 LEU 32 12.407 -4.026 -1.403 275 H LYS 33 HN LYS 33 16.495 -2.737 -2.014 276 HA LYS 33 HA LYS 33 16.501 -5.382 -0.932 277 1HB LYS 33 HB2 LYS 33 18.050 -4.214 -2.690 278 2HB LYS 33 HB1 LYS 33 18.991 -3.716 -1.286 279 1HG LYS 33 HG2 LYS 33 19.109 -6.134 -0.592 280 2HG LYS 33 HG1 LYS 33 18.320 -6.556 -2.112 281 1HD LYS 33 HD2 LYS 33 20.547 -6.751 -2.751 282 2HD LYS 33 HD1 LYS 33 20.244 -5.064 -3.171 283 1HE LYS 33 HE2 LYS 33 21.227 -4.328 -1.054 284 2HE LYS 33 HE1 LYS 33 21.440 -6.001 -0.540 285 1HZ LYS 33 HZ1 LYS 33 22.616 -5.049 -3.068 286 2HZ LYS 33 HZ2 LYS 33 23.084 -6.364 -2.099 287 3HZ LYS 33 HZ3 LYS 33 23.412 -4.775 -1.596 288 H GLU 34 HN GLU 34 17.612 -2.264 0.341 289 HA GLU 34 HA GLU 34 18.715 -3.440 2.768 290 1HB GLU 34 HB2 GLU 34 19.462 -1.238 1.848 291 2HB GLU 34 HB1 GLU 34 17.901 -0.556 2.307 292 1HG GLU 34 HG2 GLU 34 19.510 -0.058 4.060 293 2HG GLU 34 HG1 GLU 34 18.364 -1.245 4.679 294 H LEU 35 HN LEU 35 15.595 -2.153 1.858 295 HA LEU 35 HA LEU 35 14.566 -2.084 4.580 296 1HB LEU 35 HB2 LEU 35 13.666 -0.636 2.769 297 2HB LEU 35 HB1 LEU 35 13.119 -2.075 1.909 298 HG LEU 35 HG LEU 35 11.826 -2.601 4.149 299 1HD1 LEU 35 HD11 LEU 35 12.866 -0.800 5.473 300 2HD1 LEU 35 HD12 LEU 35 11.129 -0.558 5.338 301 3HD1 LEU 35 HD13 LEU 35 12.230 0.397 4.347 302 1HD2 LEU 35 HD21 LEU 35 10.625 -2.153 2.120 303 2HD2 LEU 35 HD22 LEU 35 11.062 -0.445 2.168 304 3HD2 LEU 35 HD23 LEU 35 9.938 -1.101 3.357 305 H ILE 36 HN ILE 36 14.685 -4.400 1.942 306 HA ILE 36 HA ILE 36 12.777 -6.259 3.074 307 HB ILE 36 HB ILE 36 14.966 -6.494 0.995 308 1HG1 ILE 36 HG12 ILE 36 11.974 -6.836 0.721 309 2HG1 ILE 36 HG11 ILE 36 12.756 -5.262 0.585 310 1HG2 ILE 36 HG21 ILE 36 13.845 -8.752 0.492 311 2HG2 ILE 36 HG22 ILE 36 13.155 -8.643 2.113 312 3HG2 ILE 36 HG23 ILE 36 14.904 -8.693 1.899 313 1HD1 ILE 36 HD11 ILE 36 12.397 -6.485 -1.615 314 2HD1 ILE 36 HD12 ILE 36 13.591 -7.659 -1.062 315 3HD1 ILE 36 HD13 ILE 36 14.055 -5.974 -1.301 316 H ASN 37 HN ASN 37 16.289 -5.870 3.262 317 HA ASN 37 HA ASN 37 16.629 -8.246 4.934 318 1HB ASN 37 HB2 ASN 37 18.429 -7.587 3.433 319 2HB ASN 37 HB1 ASN 37 18.527 -6.002 4.201 320 1HD2 ASN 37 HD21 ASN 37 18.959 -6.141 6.703 321 2HD2 ASN 37 HD22 ASN 37 20.070 -7.323 7.204 322 H ASN 38 HN ASN 38 16.064 -4.848 5.476 323 HA ASN 38 HA ASN 38 16.858 -5.088 8.343 324 1HB ASN 38 HB2 ASN 38 16.043 -2.694 6.681 325 2HB ASN 38 HB1 ASN 38 16.512 -2.625 8.380 326 1HD2 ASN 38 HD21 ASN 38 18.244 -1.141 7.176 327 2HD2 ASN 38 HD22 ASN 38 19.674 -1.930 6.714 328 H GLU 39 HN GLU 39 13.947 -4.238 6.417 329 HA GLU 39 HA GLU 39 12.362 -4.213 8.950 330 1HB GLU 39 HB2 GLU 39 12.263 -2.392 7.084 331 2HB GLU 39 HB1 GLU 39 11.283 -3.564 6.208 332 1HG GLU 39 HG2 GLU 39 9.759 -2.174 7.434 333 2HG GLU 39 HG1 GLU 39 9.819 -3.720 8.281 334 H LEU 40 HN LEU 40 11.606 -5.353 5.644 335 HA LEU 40 HA LEU 40 9.882 -7.439 6.722 336 1HB LEU 40 HB2 LEU 40 10.793 -7.493 3.861 337 2HB LEU 40 HB1 LEU 40 9.194 -7.802 4.532 338 HG LEU 40 HG LEU 40 10.531 -5.087 4.266 339 1HD1 LEU 40 HD11 LEU 40 8.938 -4.655 2.552 340 2HD1 LEU 40 HD12 LEU 40 8.004 -6.097 2.953 341 3HD1 LEU 40 HD13 LEU 40 9.589 -6.255 2.196 342 1HD2 LEU 40 HD21 LEU 40 7.777 -5.833 5.316 343 2HD2 LEU 40 HD22 LEU 40 8.366 -4.188 5.068 344 3HD2 LEU 40 HD23 LEU 40 9.106 -5.212 6.295 345 H SER 41 HN SER 41 12.604 -7.670 7.667 346 HA SER 41 HA SER 41 13.776 -9.912 6.149 347 1HB SER 41 HB2 SER 41 15.707 -9.465 7.321 348 2HB SER 41 HB1 SER 41 14.915 -7.913 7.572 349 HG SER 41 HG SER 41 15.350 -8.527 9.587 350 H HIS 42 HN HIS 42 11.610 -9.434 8.799 351 HA HIS 42 HA HIS 42 12.149 -12.086 9.986 352 1HB HIS 42 HB2 HIS 42 10.103 -9.930 10.596 353 2HB HIS 42 HB1 HIS 42 10.210 -11.457 11.472 354 HD1 HIS 42 HD1 HIS 42 11.775 -11.476 13.427 355 HD2 HIS 42 HD2 HIS 42 12.708 -8.430 10.733 356 HE1 HIS 42 HE1 HIS 42 13.666 -10.148 14.470 357 HE2 HIS 42 HE2 HIS 42 14.241 -8.293 12.838 358 H PHE 43 HN PHE 43 9.928 -10.542 7.768 359 HA PHE 43 HA PHE 43 8.290 -13.046 7.603 360 1HB PHE 43 HB2 PHE 43 7.706 -10.262 6.548 361 2HB PHE 43 HB1 PHE 43 6.616 -11.647 6.479 362 HD1 PHE 43 HD1 PHE 43 8.017 -9.014 8.582 363 HD2 PHE 43 HD2 PHE 43 5.693 -12.626 8.575 364 HE1 PHE 43 HE1 PHE 43 7.197 -8.492 10.865 365 HE2 PHE 43 HE2 PHE 43 4.873 -12.104 10.856 366 HZ PHE 43 HZ PHE 43 5.627 -10.037 12.001 367 H LEU 44 HN LEU 44 10.090 -10.668 5.650 368 HA LEU 44 HA LEU 44 9.903 -12.508 3.309 369 1HB LEU 44 HB2 LEU 44 9.467 -9.832 3.375 370 2HB LEU 44 HB1 LEU 44 11.193 -9.821 3.041 371 HG LEU 44 HG LEU 44 10.782 -11.369 1.111 372 1HD1 LEU 44 HD11 LEU 44 8.147 -11.092 0.426 373 2HD1 LEU 44 HD12 LEU 44 8.006 -11.208 2.179 374 3HD1 LEU 44 HD13 LEU 44 8.794 -12.495 1.270 375 1HD2 LEU 44 HD21 LEU 44 9.355 -8.692 1.176 376 2HD2 LEU 44 HD22 LEU 44 9.664 -9.591 -0.310 377 3HD2 LEU 44 HD23 LEU 44 11.014 -9.008 0.664 378 H GLU 45 HN GLU 45 11.654 -13.700 2.754 379 HA GLU 45 HA GLU 45 13.967 -13.897 4.352 380 1HB GLU 45 HB2 GLU 45 13.643 -14.568 1.411 381 2HB GLU 45 HB1 GLU 45 14.971 -15.119 2.432 382 1HG GLU 45 HG2 GLU 45 12.045 -15.678 3.001 383 2HG GLU 45 HG1 GLU 45 13.132 -16.811 2.198 384 H GLU 46 HN GLU 46 15.974 -12.901 4.297 385 HA GLU 46 HA GLU 46 16.138 -10.301 3.042 386 1HB GLU 46 HB2 GLU 46 18.617 -10.528 3.816 387 2HB GLU 46 HB1 GLU 46 17.361 -10.453 5.047 388 1HG GLU 46 HG2 GLU 46 18.210 -13.141 3.981 389 2HG GLU 46 HG1 GLU 46 19.215 -12.329 5.179 390 H ILE 47 HN ILE 47 16.226 -10.296 0.808 391 HA ILE 47 HA ILE 47 17.462 -12.361 -0.740 392 HB ILE 47 HB ILE 47 17.391 -10.676 -2.620 393 1HG1 ILE 47 HG12 ILE 47 16.078 -8.899 -0.539 394 2HG1 ILE 47 HG11 ILE 47 17.722 -8.666 -1.128 395 1HG2 ILE 47 HG21 ILE 47 14.880 -11.011 -0.955 396 2HG2 ILE 47 HG22 ILE 47 15.480 -12.135 -2.176 397 3HG2 ILE 47 HG23 ILE 47 14.915 -10.533 -2.652 398 1HD1 ILE 47 HD11 ILE 47 16.097 -7.244 -2.353 399 2HD1 ILE 47 HD12 ILE 47 15.251 -8.697 -2.881 400 3HD1 ILE 47 HD13 ILE 47 16.903 -8.394 -3.419 401 H LYS 48 HN LYS 48 19.556 -12.633 -1.409 402 HA LYS 48 HA LYS 48 21.583 -10.695 -0.376 403 1HB LYS 48 HB2 LYS 48 21.623 -13.596 -1.190 404 2HB LYS 48 HB1 LYS 48 23.115 -12.671 -1.328 405 1HG LYS 48 HG2 LYS 48 22.981 -13.788 0.865 406 2HG LYS 48 HG1 LYS 48 22.958 -12.036 1.049 407 1HD LYS 48 HD2 LYS 48 21.267 -13.096 2.496 408 2HD LYS 48 HD1 LYS 48 20.501 -12.084 1.274 409 1HE LYS 48 HE2 LYS 48 19.687 -13.917 0.076 410 2HE LYS 48 HE1 LYS 48 20.934 -15.004 0.691 411 1HZ LYS 48 HZ1 LYS 48 18.617 -13.917 2.189 412 2HZ LYS 48 HZ2 LYS 48 19.882 -14.796 2.903 413 3HZ LYS 48 HZ3 LYS 48 18.881 -15.532 1.745 414 H GLU 49 HN GLU 49 19.886 -11.619 -3.140 415 HA GLU 49 HA GLU 49 21.796 -10.156 -4.939 416 1HB GLU 49 HB2 GLU 49 19.927 -12.448 -5.640 417 2HB GLU 49 HB1 GLU 49 20.993 -11.603 -6.765 418 1HG GLU 49 HG2 GLU 49 22.961 -12.337 -5.500 419 2HG GLU 49 HG1 GLU 49 21.923 -13.130 -4.313 420 H GLN 50 HN GLN 50 20.898 -8.306 -5.710 421 HA GLN 50 HA GLN 50 18.278 -7.446 -5.134 422 1HB GLN 50 HB2 GLN 50 19.480 -6.485 -7.707 423 2HB GLN 50 HB1 GLN 50 18.802 -5.560 -6.372 424 1HG GLN 50 HG2 GLN 50 21.078 -5.080 -6.157 425 2HG GLN 50 HG1 GLN 50 20.903 -6.437 -5.046 426 1HE2 GLN 50 HE21 GLN 50 22.914 -7.496 -5.295 427 2HE2 GLN 50 HE22 GLN 50 23.512 -8.058 -6.782 428 H GLU 51 HN GLU 51 19.324 -9.829 -7.290 429 HA GLU 51 HA GLU 51 17.836 -9.821 -9.530 430 1HB GLU 51 HB2 GLU 51 19.286 -11.705 -8.606 431 2HB GLU 51 HB1 GLU 51 17.837 -12.261 -7.767 432 1HG GLU 51 HG2 GLU 51 16.642 -12.466 -9.889 433 2HG GLU 51 HG1 GLU 51 18.033 -11.820 -10.760 434 H VAL 52 HN VAL 52 16.396 -10.902 -6.410 435 HA VAL 52 HA VAL 52 13.821 -11.205 -7.657 436 HB VAL 52 HB VAL 52 13.881 -10.558 -4.737 437 1HG1 VAL 52 HG11 VAL 52 12.466 -12.560 -4.613 438 2HG1 VAL 52 HG12 VAL 52 12.790 -12.911 -6.310 439 3HG1 VAL 52 HG13 VAL 52 11.877 -11.469 -5.867 440 1HG2 VAL 52 HG21 VAL 52 14.799 -12.925 -4.307 441 2HG2 VAL 52 HG22 VAL 52 15.967 -11.677 -4.733 442 3HG2 VAL 52 HG23 VAL 52 15.442 -12.843 -5.948 443 H VAL 53 HN VAL 53 15.513 -8.639 -6.050 444 HA VAL 53 HA VAL 53 13.286 -6.812 -5.985 445 HB VAL 53 HB VAL 53 16.029 -6.860 -5.137 446 1HG1 VAL 53 HG11 VAL 53 15.374 -4.388 -6.771 447 2HG1 VAL 53 HG12 VAL 53 16.604 -5.587 -7.170 448 3HG1 VAL 53 HG13 VAL 53 16.781 -4.588 -5.726 449 1HG2 VAL 53 HG21 VAL 53 15.362 -4.977 -3.742 450 2HG2 VAL 53 HG22 VAL 53 14.063 -6.169 -3.796 451 3HG2 VAL 53 HG23 VAL 53 13.949 -4.698 -4.758 452 H ASP 54 HN ASP 54 15.475 -7.965 -8.374 453 HA ASP 54 HA ASP 54 14.991 -5.765 -10.256 454 1HB ASP 54 HB2 ASP 54 17.044 -7.353 -10.215 455 2HB ASP 54 HB1 ASP 54 15.982 -8.531 -10.987 456 H LYS 55 HN LYS 55 13.722 -8.952 -9.514 457 HA LYS 55 HA LYS 55 11.882 -8.956 -11.805 458 1HB LYS 55 HB2 LYS 55 12.693 -11.095 -11.024 459 2HB LYS 55 HB1 LYS 55 12.161 -10.758 -9.380 460 1HG LYS 55 HG2 LYS 55 10.035 -10.596 -11.475 461 2HG LYS 55 HG1 LYS 55 10.685 -12.205 -11.182 462 1HD LYS 55 HD2 LYS 55 9.875 -10.496 -8.833 463 2HD LYS 55 HD1 LYS 55 8.641 -11.348 -9.755 464 1HE LYS 55 HE2 LYS 55 11.089 -12.684 -8.568 465 2HE LYS 55 HE1 LYS 55 9.509 -12.645 -7.786 466 1HZ LYS 55 HZ1 LYS 55 9.387 -13.489 -10.523 467 2HZ LYS 55 HZ2 LYS 55 8.732 -14.215 -9.134 468 3HZ LYS 55 HZ3 LYS 55 10.347 -14.511 -9.570 469 H VAL 56 HN VAL 56 11.664 -8.451 -8.271 470 HA VAL 56 HA VAL 56 8.857 -8.159 -8.136 471 HB VAL 56 HB VAL 56 10.765 -8.071 -6.257 472 1HG1 VAL 56 HG11 VAL 56 10.036 -5.141 -6.479 473 2HG1 VAL 56 HG12 VAL 56 11.553 -5.799 -7.084 474 3HG1 VAL 56 HG13 VAL 56 11.181 -5.888 -5.366 475 1HG2 VAL 56 HG21 VAL 56 9.086 -7.235 -4.676 476 2HG2 VAL 56 HG22 VAL 56 8.329 -8.301 -5.859 477 3HG2 VAL 56 HG23 VAL 56 8.151 -6.552 -6.004 478 H MET 57 HN MET 57 11.365 -5.756 -8.907 479 HA MET 57 HA MET 57 9.625 -3.517 -9.218 480 1HB MET 57 HB2 MET 57 12.290 -4.229 -10.456 481 2HB MET 57 HB1 MET 57 11.463 -2.719 -10.845 482 1HG MET 57 HG2 MET 57 11.412 -2.116 -8.464 483 2HG MET 57 HG1 MET 57 12.209 -3.634 -8.052 484 1HE MET 57 HE1 MET 57 13.216 -1.080 -7.007 485 2HE MET 57 HE2 MET 57 12.793 -0.029 -8.359 486 3HE MET 57 HE3 MET 57 14.481 -0.199 -7.874 487 H GLU 58 HN GLU 58 10.424 -6.172 -11.403 488 HA GLU 58 HA GLU 58 9.226 -4.996 -13.745 489 1HB GLU 58 HB2 GLU 58 9.795 -7.871 -12.974 490 2HB GLU 58 HB1 GLU 58 9.109 -7.414 -14.534 491 1HG GLU 58 HG2 GLU 58 11.040 -6.118 -15.106 492 2HG GLU 58 HG1 GLU 58 11.673 -6.222 -13.463 493 H THR 59 HN THR 59 7.978 -6.692 -10.973 494 HA THR 59 HA THR 59 5.297 -6.971 -12.213 495 HB THR 59 HB THR 59 6.245 -7.699 -9.426 496 HG1 THR 59 HG1 THR 59 6.622 -8.850 -11.810 497 1HG2 THR 59 HG21 THR 59 3.901 -7.488 -9.306 498 2HG2 THR 59 HG22 THR 59 4.137 -9.198 -9.660 499 3HG2 THR 59 HG23 THR 59 3.672 -8.090 -10.949 500 H LEU 60 HN LEU 60 7.047 -4.949 -9.948 501 HA LEU 60 HA LEU 60 4.519 -3.581 -9.147 502 1HB LEU 60 HB2 LEU 60 7.283 -3.786 -8.012 503 2HB LEU 60 HB1 LEU 60 6.365 -2.327 -7.654 504 HG LEU 60 HG LEU 60 6.080 -4.084 -5.934 505 1HD1 LEU 60 HD11 LEU 60 3.365 -3.983 -7.176 506 2HD1 LEU 60 HD12 LEU 60 4.156 -2.430 -6.912 507 3HD1 LEU 60 HD13 LEU 60 3.890 -3.523 -5.561 508 1HD2 LEU 60 HD21 LEU 60 4.936 -6.152 -6.433 509 2HD2 LEU 60 HD22 LEU 60 6.287 -6.000 -7.557 510 3HD2 LEU 60 HD23 LEU 60 4.647 -5.646 -8.095 511 H ASP 61 HN ASP 61 7.752 -2.733 -10.559 512 HA ASP 61 HA ASP 61 7.245 0.021 -10.847 513 1HB ASP 61 HB2 ASP 61 9.380 -1.338 -11.301 514 2HB ASP 61 HB1 ASP 61 8.701 -1.628 -12.904 515 H GLU 62 HN GLU 62 5.503 0.852 -11.693 516 HA GLU 62 HA GLU 62 4.100 -0.468 -13.935 517 1HB GLU 62 HB2 GLU 62 3.389 2.131 -12.549 518 2HB GLU 62 HB1 GLU 62 2.336 1.148 -13.567 519 1HG GLU 62 HG2 GLU 62 3.513 0.297 -10.905 520 2HG GLU 62 HG1 GLU 62 1.841 0.780 -11.181 521 H ASP 63 HN ASP 63 5.690 2.608 -13.211 522 HA ASP 63 HA ASP 63 5.476 3.484 -15.995 523 1HB ASP 63 HB2 ASP 63 7.098 5.288 -15.152 524 2HB ASP 63 HB1 ASP 63 5.513 5.246 -14.380 525 H GLY 64 HN GLY 64 7.329 1.189 -14.405 526 1HA GLY 64 HA2 GLY 64 9.317 0.083 -15.058 527 2HA GLY 64 HA1 GLY 64 9.080 0.814 -16.646 528 H ASP 65 HN ASP 65 9.516 2.411 -13.507 529 HA ASP 65 HA ASP 65 11.634 4.100 -14.732 530 1HB ASP 65 HB2 ASP 65 11.438 5.404 -12.629 531 2HB ASP 65 HB1 ASP 65 9.880 5.208 -13.432 532 H GLY 66 HN GLY 66 11.515 1.218 -13.001 533 1HA GLY 66 HA2 GLY 66 13.324 -0.032 -12.113 534 2HA GLY 66 HA1 GLY 66 14.399 1.306 -12.527 535 H GLU 67 HN GLU 67 11.881 2.651 -10.966 536 HA GLU 67 HA GLU 67 13.080 2.343 -8.233 537 1HB GLU 67 HB2 GLU 67 11.920 4.892 -9.410 538 2HB GLU 67 HB1 GLU 67 12.721 4.711 -7.848 539 1HG GLU 67 HG2 GLU 67 14.778 3.928 -9.143 540 2HG GLU 67 HG1 GLU 67 13.959 4.495 -10.600 541 H CYS 68 HN CYS 68 11.339 3.130 -6.563 542 HA CYS 68 HA CYS 68 8.608 2.345 -7.535 543 1HB CYS 68 HB2 CYS 68 10.140 1.399 -5.122 544 2HB CYS 68 HB1 CYS 68 8.377 1.368 -5.140 545 HG CYS 68 HG CYS 68 9.903 -0.780 -6.297 546 H ASP 69 HN ASP 69 7.860 4.482 -7.629 547 HA ASP 69 HA ASP 69 8.225 6.519 -5.733 548 1HB ASP 69 HB2 ASP 69 6.025 7.411 -6.519 549 2HB ASP 69 HB1 ASP 69 7.075 6.932 -7.853 550 H PHE 70 HN PHE 70 5.828 7.237 -4.538 551 HA PHE 70 HA PHE 70 5.714 5.339 -2.340 552 1HB PHE 70 HB2 PHE 70 3.798 7.049 -1.668 553 2HB PHE 70 HB1 PHE 70 5.493 7.502 -1.550 554 HD1 PHE 70 HD1 PHE 70 2.588 7.597 -3.914 555 HD2 PHE 70 HD2 PHE 70 6.313 9.362 -2.726 556 HE1 PHE 70 HE1 PHE 70 2.233 9.431 -5.539 557 HE2 PHE 70 HE2 PHE 70 5.962 11.199 -4.352 558 HZ PHE 70 HZ PHE 70 3.921 11.234 -5.759 559 H GLN 71 HN GLN 71 3.687 6.076 -5.104 560 HA GLN 71 HA GLN 71 1.305 4.842 -4.132 561 1HB GLN 71 HB2 GLN 71 1.319 6.443 -6.015 562 2HB GLN 71 HB1 GLN 71 2.203 5.271 -6.995 563 1HG GLN 71 HG2 GLN 71 0.361 3.699 -6.855 564 2HG GLN 71 HG1 GLN 71 -0.506 4.769 -5.749 565 1HE2 GLN 71 HE21 GLN 71 0.195 7.249 -7.176 566 2HE2 GLN 71 HE22 GLN 71 -0.678 7.242 -8.631 567 H GLU 72 HN GLU 72 3.989 3.572 -6.122 568 HA GLU 72 HA GLU 72 2.693 0.912 -6.110 569 1HB GLU 72 HB2 GLU 72 4.294 0.271 -7.735 570 2HB GLU 72 HB1 GLU 72 3.819 1.916 -8.152 571 1HG GLU 72 HG2 GLU 72 5.931 2.471 -6.526 572 2HG GLU 72 HG1 GLU 72 6.443 0.895 -7.133 573 H PHE 73 HN PHE 73 5.415 2.615 -4.623 574 HA PHE 73 HA PHE 73 6.789 0.389 -3.564 575 1HB PHE 73 HB2 PHE 73 7.758 2.566 -3.220 576 2HB PHE 73 HB1 PHE 73 6.309 3.135 -2.399 577 HD1 PHE 73 HD1 PHE 73 6.315 3.181 -0.062 578 HD2 PHE 73 HD2 PHE 73 8.863 0.395 -2.116 579 HE1 PHE 73 HE1 PHE 73 7.262 2.449 2.107 580 HE2 PHE 73 HE2 PHE 73 9.809 -0.336 0.058 581 HZ PHE 73 HZ PHE 73 9.009 0.692 2.168 582 H MET 74 HN MET 74 3.935 2.092 -2.284 583 HA MET 74 HA MET 74 3.678 0.380 0.004 584 1HB MET 74 HB2 MET 74 2.100 2.447 -1.338 585 2HB MET 74 HB1 MET 74 1.055 1.116 -0.848 586 1HG MET 74 HG2 MET 74 3.029 2.289 1.109 587 2HG MET 74 HG1 MET 74 1.473 3.067 0.829 588 1HE MET 74 HE1 MET 74 -0.759 2.279 1.728 589 2HE MET 74 HE2 MET 74 0.337 2.838 2.989 590 3HE MET 74 HE3 MET 74 -0.664 1.415 3.269 591 H ALA 75 HN ALA 75 2.390 0.296 -3.273 592 HA ALA 75 HA ALA 75 0.860 -2.069 -3.081 593 1HB ALA 75 HB1 ALA 75 1.034 -2.284 -5.442 594 2HB ALA 75 HB2 ALA 75 2.604 -1.493 -5.477 595 3HB ALA 75 HB3 ALA 75 1.156 -0.555 -5.129 596 H PHE 76 HN PHE 76 4.314 -1.739 -2.910 597 HA PHE 76 HA PHE 76 4.871 -4.519 -3.585 598 1HB PHE 76 HB2 PHE 76 6.765 -3.075 -3.753 599 2HB PHE 76 HB1 PHE 76 6.505 -2.423 -2.145 600 HD1 PHE 76 HD1 PHE 76 8.215 -3.056 -0.686 601 HD2 PHE 76 HD2 PHE 76 6.712 -5.922 -3.518 602 HE1 PHE 76 HE1 PHE 76 9.707 -4.787 0.270 603 HE2 PHE 76 HE2 PHE 76 8.204 -7.650 -2.554 604 HZ PHE 76 HZ PHE 76 9.702 -7.083 -0.663 605 H VAL 77 HN VAL 77 4.620 -2.773 -0.484 606 HA VAL 77 HA VAL 77 4.891 -5.033 1.208 607 HB VAL 77 HB VAL 77 3.286 -2.481 1.521 608 1HG1 VAL 77 HG11 VAL 77 3.424 -3.155 4.019 609 2HG1 VAL 77 HG12 VAL 77 3.728 -4.786 3.417 610 3HG1 VAL 77 HG13 VAL 77 2.220 -3.967 3.017 611 1HG2 VAL 77 HG21 VAL 77 5.898 -3.407 2.754 612 2HG2 VAL 77 HG22 VAL 77 5.147 -1.825 2.961 613 3HG2 VAL 77 HG23 VAL 77 5.771 -2.304 1.384 614 H SER 78 HN SER 78 2.155 -3.801 -0.607 615 HA SER 78 HA SER 78 0.120 -5.440 0.566 616 1HB SER 78 HB2 SER 78 -0.001 -4.635 -2.323 617 2HB SER 78 HB1 SER 78 -1.258 -4.559 -1.089 618 HG SER 78 HG SER 78 0.764 -3.028 -0.319 619 H MET 79 HN MET 79 2.456 -5.935 -2.003 620 HA MET 79 HA MET 79 1.310 -8.446 -2.885 621 1HB MET 79 HB2 MET 79 2.785 -6.951 -4.313 622 2HB MET 79 HB1 MET 79 4.144 -7.454 -3.311 623 1HG MET 79 HG2 MET 79 4.149 -9.619 -4.163 624 2HG MET 79 HG1 MET 79 2.426 -9.599 -4.532 625 1HE MET 79 HE1 MET 79 5.785 -9.719 -6.060 626 2HE MET 79 HE2 MET 79 5.868 -8.117 -5.330 627 3HE MET 79 HE3 MET 79 5.939 -8.283 -7.083 628 H VAL 80 HN VAL 80 3.485 -7.377 -0.447 629 HA VAL 80 HA VAL 80 4.503 -10.069 0.160 630 HB VAL 80 HB VAL 80 4.826 -7.408 1.596 631 1HG1 VAL 80 HG11 VAL 80 6.776 -8.730 2.674 632 2HG1 VAL 80 HG12 VAL 80 5.922 -10.170 2.120 633 3HG1 VAL 80 HG13 VAL 80 5.143 -9.062 3.249 634 1HG2 VAL 80 HG21 VAL 80 6.815 -8.968 -0.079 635 2HG2 VAL 80 HG22 VAL 80 7.068 -7.386 0.660 636 3HG2 VAL 80 HG23 VAL 80 5.909 -7.570 -0.658 637 H THR 81 HN THR 81 2.205 -7.658 1.278 638 HA THR 81 HA THR 81 1.479 -9.115 3.680 639 HB THR 81 HB THR 81 -0.207 -7.088 2.192 640 HG1 THR 81 HG1 THR 81 2.170 -6.653 2.912 641 1HG2 THR 81 HG21 THR 81 0.026 -7.529 5.164 642 2HG2 THR 81 HG22 THR 81 -1.093 -8.472 4.182 643 3HG2 THR 81 HG23 THR 81 -1.261 -6.719 4.276 644 H THR 82 HN THR 82 0.364 -9.005 0.299 645 HA THR 82 HA THR 82 -2.052 -10.483 0.768 646 HB THR 82 HB THR 82 -1.831 -10.956 -1.727 647 HG1 THR 82 HG1 THR 82 -0.089 -10.294 -2.710 648 1HG2 THR 82 HG21 THR 82 -3.178 -9.123 -1.391 649 2HG2 THR 82 HG22 THR 82 -1.804 -8.286 -2.119 650 3HG2 THR 82 HG23 THR 82 -2.005 -8.296 -0.367 651 H ALA 83 HN ALA 83 1.306 -11.527 0.041 652 HA ALA 83 HA ALA 83 0.591 -14.261 -0.445 653 1HB ALA 83 HB1 ALA 83 2.751 -13.399 -1.165 654 2HB ALA 83 HB2 ALA 83 3.019 -14.682 0.015 655 3HB ALA 83 HB3 ALA 83 3.181 -12.993 0.496 656 H CYS 84 HN CYS 84 1.454 -12.410 2.455 657 HA CYS 84 HA CYS 84 1.414 -14.803 4.153 658 1HB CYS 84 HB2 CYS 84 1.849 -13.322 5.975 659 2HB CYS 84 HB1 CYS 84 2.763 -12.683 4.611 660 HG CYS 84 HG CYS 84 1.209 -10.839 5.921 661 H HIS 85 HN HIS 85 -0.987 -13.056 2.655 662 HA HIS 85 HA HIS 85 -2.970 -13.440 4.865 663 1HB HIS 85 HB2 HIS 85 -2.973 -11.210 3.863 664 2HB HIS 85 HB1 HIS 85 -3.145 -11.907 2.254 665 HD1 HIS 85 HD1 HIS 85 -5.034 -12.048 5.575 666 HD2 HIS 85 HD2 HIS 85 -5.779 -12.071 1.473 667 HE1 HIS 85 HE1 HIS 85 -7.552 -12.079 5.304 668 H GLU 86 HN GLU 86 -2.279 -14.313 1.493 669 HA GLU 86 HA GLU 86 -4.705 -15.960 1.299 670 1HB GLU 86 HB2 GLU 86 -3.953 -16.485 -0.929 671 2HB GLU 86 HB1 GLU 86 -3.633 -14.770 -0.666 672 1HG GLU 86 HG2 GLU 86 -1.281 -15.528 0.109 673 2HG GLU 86 HG1 GLU 86 -1.670 -17.065 -0.659 674 H PHE 87 HN PHE 87 -1.357 -16.372 2.182 675 HA PHE 87 HA PHE 87 -1.128 -19.197 1.820 676 1HB PHE 87 HB2 PHE 87 0.839 -17.831 2.260 677 2HB PHE 87 HB1 PHE 87 0.192 -17.342 3.826 678 HD1 PHE 87 HD1 PHE 87 1.799 -20.037 1.925 679 HD2 PHE 87 HD2 PHE 87 0.045 -18.945 5.690 680 HE1 PHE 87 HE1 PHE 87 2.817 -22.038 2.979 681 HE2 PHE 87 HE2 PHE 87 1.063 -20.945 6.745 682 HZ PHE 87 HZ PHE 87 2.448 -22.492 5.389 683 H PHE 88 HN PHE 88 -1.836 -17.364 4.823 684 HA PHE 88 HA PHE 88 -2.540 -19.674 6.354 685 1HB PHE 88 HB2 PHE 88 -2.011 -17.465 7.360 686 2HB PHE 88 HB1 PHE 88 -3.513 -16.819 6.695 687 HD1 PHE 88 HD1 PHE 88 -2.056 -19.184 9.137 688 HD2 PHE 88 HD2 PHE 88 -5.665 -17.401 7.638 689 HE1 PHE 88 HE1 PHE 88 -3.301 -20.057 11.096 690 HE2 PHE 88 HE2 PHE 88 -6.910 -18.274 9.597 691 HZ PHE 88 HZ PHE 88 -5.728 -19.602 11.326 692 H GLU 89 HN GLU 89 -4.351 -17.686 4.098 693 HA GLU 89 HA GLU 89 -6.900 -19.048 4.809 694 1HB GLU 89 HB2 GLU 89 -6.315 -16.854 2.796 695 2HB GLU 89 HB1 GLU 89 -7.917 -17.460 3.219 696 1HG GLU 89 HG2 GLU 89 -7.494 -16.797 5.591 697 2HG GLU 89 HG1 GLU 89 -5.965 -16.080 5.082 698 H HIS 90 HN HIS 90 -4.592 -20.443 3.462 699 HA HIS 90 HA HIS 90 -5.312 -20.833 0.693 700 1HB HIS 90 HB2 HIS 90 -3.068 -21.403 1.458 701 2HB HIS 90 HB1 HIS 90 -3.721 -22.574 2.604 702 HD1 HIS 90 HD1 HIS 90 -3.163 -24.832 1.685 703 HD2 HIS 90 HD2 HIS 90 -4.530 -22.253 -1.296 704 HE1 HIS 90 HE1 HIS 90 -3.321 -26.208 -0.438 705 HE2 HIS 90 HE2 HIS 90 -4.155 -24.649 -2.257 706 H GLU 91 HN GLU 91 -7.441 -21.434 0.394 707 HA GLU 91 HA GLU 91 -8.823 -23.311 2.099 708 1HB GLU 91 HB2 GLU 91 -10.551 -23.291 0.313 709 2HB GLU 91 HB1 GLU 91 -10.054 -21.659 0.764 710 1HG GLU 91 HG2 GLU 91 -8.374 -21.794 -1.163 711 2HG GLU 91 HG1 GLU 91 -9.245 -23.235 -1.687 712 1H MET 0 HT1 MET 0 12.302 -1.615 16.451 713 2H MET 0 HT2 MET 0 12.471 -2.054 14.818 714 3H MET 0 HT3 MET 0 12.762 -3.195 16.043 715 HA MET 0 HA MET 0 10.636 -3.761 16.182 716 1HB MET 0 HB2 MET 0 10.449 -1.425 17.358 717 2HB MET 0 HB1 MET 0 9.698 -0.908 15.851 718 1HG MET 0 HG2 MET 0 7.861 -1.605 17.144 719 2HG MET 0 HG1 MET 0 8.193 -3.022 16.149 720 1HE MET 0 HE1 MET 0 7.113 -4.677 19.438 721 2HE MET 0 HE2 MET 0 6.852 -4.477 17.708 722 3HE MET 0 HE3 MET 0 6.493 -3.146 18.804 723 H SER 1 HN SER 1 9.060 -4.384 14.640 724 HA SER 1 HA SER 1 9.669 -3.547 11.860 725 1HB SER 1 HB2 SER 1 7.927 -5.414 11.384 726 2HB SER 1 HB1 SER 1 9.499 -5.887 12.022 727 HG SER 1 HG SER 1 8.430 -5.701 14.149 728 H GLU 2 HN GLU 2 8.735 -1.384 12.361 729 HA GLU 2 HA GLU 2 6.081 -0.809 13.054 730 1HB GLU 2 HB2 GLU 2 7.897 0.520 11.039 731 2HB GLU 2 HB1 GLU 2 6.287 1.150 11.396 732 1HG GLU 2 HG2 GLU 2 6.888 1.287 13.795 733 2HG GLU 2 HG1 GLU 2 8.506 0.695 13.414 734 H LEU 3 HN LEU 3 7.346 -2.116 10.058 735 HA LEU 3 HA LEU 3 4.921 -1.815 8.526 736 1HB LEU 3 HB2 LEU 3 7.549 -3.132 8.210 737 2HB LEU 3 HB1 LEU 3 6.247 -3.974 7.380 738 HG LEU 3 HG LEU 3 7.512 -2.190 6.045 739 1HD1 LEU 3 HD11 LEU 3 4.526 -2.385 6.329 740 2HD1 LEU 3 HD12 LEU 3 5.567 -2.929 5.018 741 3HD1 LEU 3 HD13 LEU 3 5.214 -1.213 5.205 742 1HD2 LEU 3 HD21 LEU 3 5.729 -0.103 7.230 743 2HD2 LEU 3 HD22 LEU 3 7.342 0.040 6.547 744 3HD2 LEU 3 HD23 LEU 3 7.138 -0.564 8.188 745 H GLU 4 HN GLU 4 5.882 -4.033 11.001 746 HA GLU 4 HA GLU 4 4.139 -6.211 10.191 747 1HB GLU 4 HB2 GLU 4 5.957 -6.668 11.747 748 2HB GLU 4 HB1 GLU 4 5.330 -5.476 12.884 749 1HG GLU 4 HG2 GLU 4 3.375 -6.792 13.327 750 2HG GLU 4 HG1 GLU 4 3.729 -7.880 11.985 751 H LYS 5 HN LYS 5 3.817 -3.230 11.903 752 HA LYS 5 HA LYS 5 1.235 -3.772 13.118 753 1HB LYS 5 HB2 LYS 5 2.064 -0.969 12.378 754 2HB LYS 5 HB1 LYS 5 1.259 -1.541 13.836 755 1HG LYS 5 HG2 LYS 5 4.162 -2.099 13.162 756 2HG LYS 5 HG1 LYS 5 3.625 -0.787 14.190 757 1HD LYS 5 HD2 LYS 5 2.965 -2.204 15.914 758 2HD LYS 5 HD1 LYS 5 2.713 -3.576 14.841 759 1HE LYS 5 HE2 LYS 5 5.106 -3.850 14.540 760 2HE LYS 5 HE1 LYS 5 5.425 -2.399 15.488 761 1HZ LYS 5 HZ1 LYS 5 3.814 -4.518 16.706 762 2HZ LYS 5 HZ2 LYS 5 4.901 -3.431 17.430 763 3HZ LYS 5 HZ3 LYS 5 5.485 -4.774 16.570 764 H ALA 6 HN ALA 6 2.300 -2.022 10.219 765 HA ALA 6 HA ALA 6 -0.306 -1.366 9.269 766 1HB ALA 6 HB1 ALA 6 1.814 -0.346 8.443 767 2HB ALA 6 HB2 ALA 6 0.795 -0.937 7.131 768 3HB ALA 6 HB3 ALA 6 2.198 -1.868 7.645 769 H MET 7 HN MET 7 1.870 -3.980 8.222 770 HA MET 7 HA MET 7 0.144 -5.242 6.427 771 1HB MET 7 HB2 MET 7 2.130 -6.471 8.365 772 2HB MET 7 HB1 MET 7 1.354 -7.377 7.070 773 1HG MET 7 HG2 MET 7 2.424 -6.083 5.386 774 2HG MET 7 HG1 MET 7 2.904 -4.836 6.536 775 1HE MET 7 HE1 MET 7 5.335 -5.561 4.906 776 2HE MET 7 HE2 MET 7 4.323 -6.871 4.301 777 3HE MET 7 HE3 MET 7 5.909 -7.232 4.972 778 H VAL 8 HN VAL 8 0.228 -5.546 9.960 779 HA VAL 8 HA VAL 8 -1.903 -7.554 9.943 780 HB VAL 8 HB VAL 8 -0.588 -5.952 12.157 781 1HG1 VAL 8 HG11 VAL 8 -2.854 -7.951 12.245 782 2HG1 VAL 8 HG12 VAL 8 -2.779 -6.352 12.986 783 3HG1 VAL 8 HG13 VAL 8 -1.810 -7.673 13.639 784 1HG2 VAL 8 HG21 VAL 8 0.450 -8.069 12.719 785 2HG2 VAL 8 HG22 VAL 8 0.702 -7.781 10.997 786 3HG2 VAL 8 HG23 VAL 8 -0.537 -8.918 11.529 787 H ALA 9 HN ALA 9 -1.648 -4.071 10.581 788 HA ALA 9 HA ALA 9 -4.355 -3.717 11.415 789 1HB ALA 9 HB1 ALA 9 -2.410 -2.045 11.568 790 2HB ALA 9 HB2 ALA 9 -3.982 -1.388 11.113 791 3HB ALA 9 HB3 ALA 9 -2.751 -1.665 9.880 792 H LEU 10 HN LEU 10 -2.855 -3.850 8.185 793 HA LEU 10 HA LEU 10 -5.362 -3.025 6.904 794 1HB LEU 10 HB2 LEU 10 -2.616 -3.765 5.991 795 2HB LEU 10 HB1 LEU 10 -3.920 -4.010 4.830 796 HG LEU 10 HG LEU 10 -4.637 -1.639 5.206 797 1HD1 LEU 10 HD11 LEU 10 -3.085 -0.131 6.382 798 2HD1 LEU 10 HD12 LEU 10 -2.054 -1.503 6.790 799 3HD1 LEU 10 HD13 LEU 10 -3.677 -1.386 7.470 800 1HD2 LEU 10 HD21 LEU 10 -2.838 -0.653 3.906 801 2HD2 LEU 10 HD22 LEU 10 -3.097 -2.309 3.357 802 3HD2 LEU 10 HD23 LEU 10 -1.730 -1.930 4.405 803 H ILE 11 HN ILE 11 -3.592 -6.148 7.106 804 HA ILE 11 HA ILE 11 -5.268 -7.732 5.562 805 HB ILE 11 HB ILE 11 -3.894 -8.365 8.185 806 1HG1 ILE 11 HG12 ILE 11 -3.344 -9.318 5.364 807 2HG1 ILE 11 HG11 ILE 11 -2.613 -7.865 6.040 808 1HG2 ILE 11 HG21 ILE 11 -5.563 -10.141 6.392 809 2HG2 ILE 11 HG22 ILE 11 -5.657 -9.965 8.144 810 3HG2 ILE 11 HG23 ILE 11 -4.286 -10.801 7.415 811 1HD1 ILE 11 HD11 ILE 11 -2.314 -10.706 7.044 812 2HD1 ILE 11 HD12 ILE 11 -1.764 -9.297 7.951 813 3HD1 ILE 11 HD13 ILE 11 -1.051 -9.669 6.382 814 H ASP 12 HN ASP 12 -5.969 -6.298 8.679 815 HA ASP 12 HA ASP 12 -8.404 -7.872 9.081 816 1HB ASP 12 HB2 ASP 12 -7.123 -6.923 10.997 817 2HB ASP 12 HB1 ASP 12 -7.524 -5.302 10.430 818 H VAL 13 HN VAL 13 -7.689 -4.494 8.192 819 HA VAL 13 HA VAL 13 -10.485 -3.938 7.586 820 HB VAL 13 HB VAL 13 -7.964 -2.376 6.921 821 1HG1 VAL 13 HG11 VAL 13 -10.905 -1.712 6.736 822 2HG1 VAL 13 HG12 VAL 13 -9.678 -1.587 5.475 823 3HG1 VAL 13 HG13 VAL 13 -9.662 -0.463 6.835 824 1HG2 VAL 13 HG21 VAL 13 -8.103 -2.471 9.282 825 2HG2 VAL 13 HG22 VAL 13 -9.865 -2.389 9.271 826 3HG2 VAL 13 HG23 VAL 13 -8.914 -0.959 8.877 827 H PHE 14 HN PHE 14 -7.700 -5.097 5.864 828 HA PHE 14 HA PHE 14 -8.759 -4.566 3.197 829 1HB PHE 14 HB2 PHE 14 -6.422 -4.838 3.205 830 2HB PHE 14 HB1 PHE 14 -6.492 -6.227 4.281 831 HD1 PHE 14 HD1 PHE 14 -5.729 -8.158 3.200 832 HD2 PHE 14 HD2 PHE 14 -8.191 -5.374 1.046 833 HE1 PHE 14 HE1 PHE 14 -5.748 -9.686 1.249 834 HE2 PHE 14 HE2 PHE 14 -8.209 -6.903 -0.907 835 HZ PHE 14 HZ PHE 14 -6.989 -9.059 -0.803 836 H HIS 15 HN HIS 15 -8.582 -7.481 5.260 837 HA HIS 15 HA HIS 15 -10.067 -9.094 3.373 838 1HB HIS 15 HB2 HIS 15 -8.445 -9.849 5.268 839 2HB HIS 15 HB1 HIS 15 -9.851 -9.714 6.322 840 HD1 HIS 15 HD1 HIS 15 -10.954 -11.931 6.580 841 HD2 HIS 15 HD2 HIS 15 -9.412 -11.440 2.739 842 HE1 HIS 15 HE1 HIS 15 -11.528 -14.041 5.301 843 H GLN 16 HN GLN 16 -10.977 -7.179 6.230 844 HA GLN 16 HA GLN 16 -13.648 -8.210 6.437 845 1HB GLN 16 HB2 GLN 16 -12.382 -5.597 7.280 846 2HB GLN 16 HB1 GLN 16 -14.083 -5.953 7.580 847 1HG GLN 16 HG2 GLN 16 -11.881 -7.847 8.418 848 2HG GLN 16 HG1 GLN 16 -12.445 -6.545 9.466 849 1HE2 GLN 16 HE21 GLN 16 -12.889 -9.005 10.521 850 2HE2 GLN 16 HE22 GLN 16 -14.511 -9.478 10.358 851 H TYR 17 HN TYR 17 -12.244 -5.585 4.519 852 HA TYR 17 HA TYR 17 -14.912 -4.917 3.397 853 1HB TYR 17 HB2 TYR 17 -12.148 -3.722 3.176 854 2HB TYR 17 HB1 TYR 17 -13.413 -3.269 2.036 855 HD1 TYR 17 HD1 TYR 17 -12.603 -3.441 5.680 856 HD2 TYR 17 HD2 TYR 17 -15.109 -1.722 2.645 857 HE1 TYR 17 HE1 TYR 17 -13.544 -1.870 7.349 858 HE2 TYR 17 HE2 TYR 17 -16.056 -0.155 4.316 859 HH TYR 17 HH TYR 17 -14.884 -0.132 7.681 860 H SER 18 HN SER 18 -11.698 -5.785 2.034 861 HA SER 18 HA SER 18 -12.635 -6.376 -0.570 862 1HB SER 18 HB2 SER 18 -10.588 -7.529 -0.906 863 2HB SER 18 HB1 SER 18 -10.205 -6.311 0.308 864 HG SER 18 HG SER 18 -9.442 -8.389 0.898 865 H GLY 19 HN GLY 19 -12.775 -8.214 2.415 866 1HA GLY 19 HA2 GLY 19 -13.818 -10.616 1.023 867 2HA GLY 19 HA1 GLY 19 -13.433 -10.503 2.738 868 H ARG 20 HN ARG 20 -15.136 -7.734 2.077 869 HA ARG 20 HA ARG 20 -17.467 -8.548 3.506 870 1HB ARG 20 HB2 ARG 20 -16.857 -6.188 3.298 871 2HB ARG 20 HB1 ARG 20 -17.039 -6.266 1.549 872 1HG ARG 20 HG2 ARG 20 -19.482 -6.837 1.904 873 2HG ARG 20 HG1 ARG 20 -19.236 -6.555 3.625 874 1HD ARG 20 HD2 ARG 20 -18.507 -4.474 1.565 875 2HD ARG 20 HD1 ARG 20 -20.143 -4.601 2.207 876 HE ARG 20 HE ARG 20 -18.462 -4.535 4.449 877 1HH1 ARG 20 HH21 ARG 20 -19.194 -2.600 1.692 878 2HH1 ARG 20 HH22 ARG 20 -18.858 -1.100 2.490 879 1HH2 ARG 20 HH11 ARG 20 -18.022 -2.587 5.507 880 2HH2 ARG 20 HH12 ARG 20 -18.193 -1.093 4.649 881 H GLU 21 HN GLU 21 -16.743 -8.306 0.061 882 HA GLU 21 HA GLU 21 -18.867 -10.276 -0.521 883 1HB GLU 21 HB2 GLU 21 -19.700 -8.668 -2.407 884 2HB GLU 21 HB1 GLU 21 -20.264 -8.402 -0.758 885 1HG GLU 21 HG2 GLU 21 -18.575 -6.673 -0.412 886 2HG GLU 21 HG1 GLU 21 -17.897 -6.980 -2.012 887 H GLY 22 HN GLY 22 -18.820 -10.808 -2.950 888 1HA GLY 22 HA2 GLY 22 -17.590 -11.003 -5.012 889 2HA GLY 22 HA1 GLY 22 -16.193 -10.261 -4.231 890 H ASP 23 HN ASP 23 -15.130 -12.218 -5.299 891 HA ASP 23 HA ASP 23 -15.585 -14.885 -4.564 892 1HB ASP 23 HB2 ASP 23 -12.842 -13.625 -4.837 893 2HB ASP 23 HB1 ASP 23 -13.271 -15.312 -5.121 894 H LYS 24 HN LYS 24 -13.044 -12.871 -3.034 895 HA LYS 24 HA LYS 24 -13.932 -13.240 -0.370 896 1HB LYS 24 HB2 LYS 24 -12.723 -15.599 -1.519 897 2HB LYS 24 HB1 LYS 24 -11.636 -14.994 -0.279 898 1HG LYS 24 HG2 LYS 24 -14.599 -15.377 0.224 899 2HG LYS 24 HG1 LYS 24 -13.418 -16.658 0.489 900 1HD LYS 24 HD2 LYS 24 -12.173 -15.209 2.045 901 2HD LYS 24 HD1 LYS 24 -13.343 -13.915 1.785 902 1HE LYS 24 HE2 LYS 24 -15.143 -15.378 2.649 903 2HE LYS 24 HE1 LYS 24 -13.957 -16.652 2.935 904 1HZ LYS 24 HZ1 LYS 24 -14.627 -14.968 4.812 905 2HZ LYS 24 HZ2 LYS 24 -13.439 -14.006 4.072 906 3HZ LYS 24 HZ3 LYS 24 -13.037 -15.543 4.674 907 H HIS 25 HN HIS 25 -11.730 -12.147 -2.684 908 HA HIS 25 HA HIS 25 -10.394 -10.486 -0.643 909 1HB HIS 25 HB2 HIS 25 -8.644 -12.054 -2.539 910 2HB HIS 25 HB1 HIS 25 -8.172 -11.164 -1.093 911 HD2 HIS 25 HD2 HIS 25 -9.045 -14.742 -2.080 912 HE1 HIS 25 HE1 HIS 25 -9.425 -14.580 2.122 913 HE2 HIS 25 HE2 HIS 25 -9.314 -16.125 0.114 914 H LYS 26 HN LYS 26 -12.152 -9.569 -2.629 915 HA LYS 26 HA LYS 26 -10.268 -8.061 -4.394 916 1HB LYS 26 HB2 LYS 26 -11.618 -9.878 -5.605 917 2HB LYS 26 HB1 LYS 26 -13.053 -8.944 -5.197 918 1HG LYS 26 HG2 LYS 26 -12.396 -7.108 -6.525 919 2HG LYS 26 HG1 LYS 26 -10.717 -7.635 -6.601 920 1HD LYS 26 HD2 LYS 26 -12.862 -9.410 -7.757 921 2HD LYS 26 HD1 LYS 26 -12.318 -8.008 -8.675 922 1HE LYS 26 HE2 LYS 26 -10.020 -8.800 -8.630 923 2HE LYS 26 HE1 LYS 26 -10.460 -10.141 -7.574 924 1HZ LYS 26 HZ1 LYS 26 -10.904 -9.801 -10.427 925 2HZ LYS 26 HZ2 LYS 26 -12.169 -10.527 -9.555 926 3HZ LYS 26 HZ3 LYS 26 -10.615 -11.213 -9.534 927 H LEU 27 HN LEU 27 -10.826 -5.861 -4.598 928 HA LEU 27 HA LEU 27 -12.744 -4.911 -2.561 929 1HB LEU 27 HB2 LEU 27 -10.270 -4.075 -3.062 930 2HB LEU 27 HB1 LEU 27 -11.069 -3.083 -4.264 931 HG LEU 27 HG LEU 27 -10.677 -1.954 -2.055 932 1HD1 LEU 27 HD11 LEU 27 -13.492 -2.182 -3.041 933 2HD1 LEU 27 HD12 LEU 27 -12.294 -0.987 -3.483 934 3HD1 LEU 27 HD13 LEU 27 -12.974 -0.997 -1.858 935 1HD2 LEU 27 HD21 LEU 27 -11.664 -2.588 -0.075 936 2HD2 LEU 27 HD22 LEU 27 -11.387 -4.169 -0.800 937 3HD2 LEU 27 HD23 LEU 27 -12.986 -3.435 -0.871 938 H LYS 28 HN LYS 28 -14.718 -4.226 -3.041 939 HA LYS 28 HA LYS 28 -15.428 -3.589 -5.885 940 1HB LYS 28 HB2 LYS 28 -17.101 -4.508 -3.530 941 2HB LYS 28 HB1 LYS 28 -17.805 -3.904 -5.029 942 1HG LYS 28 HG2 LYS 28 -16.417 -5.653 -6.249 943 2HG LYS 28 HG1 LYS 28 -16.052 -6.343 -4.665 944 1HD LYS 28 HD2 LYS 28 -18.503 -6.512 -4.234 945 2HD LYS 28 HD1 LYS 28 -18.796 -5.973 -5.886 946 1HE LYS 28 HE2 LYS 28 -17.651 -8.571 -4.917 947 2HE LYS 28 HE1 LYS 28 -18.840 -8.283 -6.186 948 1HZ LYS 28 HZ1 LYS 28 -16.524 -8.946 -6.910 949 2HZ LYS 28 HZ2 LYS 28 -16.031 -7.391 -6.437 950 3HZ LYS 28 HZ3 LYS 28 -17.191 -7.581 -7.665 951 H LYS 29 HN LYS 29 -16.707 -1.645 -6.233 952 HA LYS 29 HA LYS 29 -15.858 0.647 -4.918 953 1HB LYS 29 HB2 LYS 29 -17.393 0.304 -7.045 954 2HB LYS 29 HB1 LYS 29 -18.706 0.526 -5.895 955 1HG LYS 29 HG2 LYS 29 -17.993 2.729 -5.339 956 2HG LYS 29 HG1 LYS 29 -16.413 2.496 -6.085 957 1HD LYS 29 HD2 LYS 29 -17.897 3.871 -7.513 958 2HD LYS 29 HD1 LYS 29 -17.446 2.361 -8.302 959 1HE LYS 29 HE2 LYS 29 -19.986 2.552 -6.686 960 2HE LYS 29 HE1 LYS 29 -19.943 3.073 -8.370 961 1HZ LYS 29 HZ1 LYS 29 -18.685 0.687 -8.452 962 2HZ LYS 29 HZ2 LYS 29 -20.324 0.938 -8.824 963 3HZ LYS 29 HZ3 LYS 29 -19.873 0.414 -7.273 964 H SER 30 HN SER 30 -18.804 -1.222 -4.133 965 HA SER 30 HA SER 30 -19.871 0.346 -2.091 966 1HB SER 30 HB2 SER 30 -19.692 -2.659 -2.335 967 2HB SER 30 HB1 SER 30 -20.604 -1.870 -1.052 968 HG SER 30 HG SER 30 -22.072 -2.039 -2.618 969 H GLU 31 HN GLU 31 -16.805 -1.012 -2.109 970 HA GLU 31 HA GLU 31 -16.583 -0.972 0.899 971 1HB GLU 31 HB2 GLU 31 -14.883 -2.189 -1.259 972 2HB GLU 31 HB1 GLU 31 -14.219 -1.893 0.338 973 1HG GLU 31 HG2 GLU 31 -15.003 -4.118 0.402 974 2HG GLU 31 HG1 GLU 31 -16.247 -3.193 1.227 975 H LEU 32 HN LEU 32 -15.061 0.262 -2.032 976 HA LEU 32 HA LEU 32 -13.247 1.968 -0.688 977 1HB LEU 32 HB2 LEU 32 -13.902 1.411 -3.366 978 2HB LEU 32 HB1 LEU 32 -14.232 3.127 -3.201 979 HG LEU 32 HG LEU 32 -11.623 1.868 -2.305 980 1HD1 LEU 32 HD11 LEU 32 -10.679 2.770 -4.418 981 2HD1 LEU 32 HD12 LEU 32 -12.305 3.194 -4.945 982 3HD1 LEU 32 HD13 LEU 32 -11.869 1.503 -4.711 983 1HD2 LEU 32 HD21 LEU 32 -12.399 4.126 -1.399 984 2HD2 LEU 32 HD22 LEU 32 -12.270 4.731 -3.050 985 3HD2 LEU 32 HD23 LEU 32 -10.835 4.133 -2.217 986 H LYS 33 HN LYS 33 -16.462 2.826 -2.038 987 HA LYS 33 HA LYS 33 -16.472 5.442 -0.887 988 1HB LYS 33 HB2 LYS 33 -18.007 4.326 -2.687 989 2HB LYS 33 HB1 LYS 33 -18.958 3.787 -1.307 990 1HG LYS 33 HG2 LYS 33 -19.080 6.182 -0.542 991 2HG LYS 33 HG1 LYS 33 -18.281 6.649 -2.043 992 1HD LYS 33 HD2 LYS 33 -20.507 6.864 -2.688 993 2HD LYS 33 HD1 LYS 33 -20.196 5.193 -3.161 994 1HE LYS 33 HE2 LYS 33 -21.203 4.379 -1.090 995 2HE LYS 33 HE1 LYS 33 -21.405 6.028 -0.501 996 1HZ LYS 33 HZ1 LYS 33 -23.280 6.225 -1.632 997 2HZ LYS 33 HZ2 LYS 33 -23.185 4.574 -2.023 998 3HZ LYS 33 HZ3 LYS 33 -22.542 5.738 -3.079 999 H GLU 34 HN GLU 34 -17.589 2.293 0.294 1000 HA GLU 34 HA GLU 34 -18.712 3.401 2.746 1001 1HB GLU 34 HB2 GLU 34 -19.448 1.223 1.761 1002 2HB GLU 34 HB1 GLU 34 -17.888 0.533 2.212 1003 1HG GLU 34 HG2 GLU 34 -19.514 -0.015 3.936 1004 2HG GLU 34 HG1 GLU 34 -18.370 1.151 4.597 1005 H LEU 35 HN LEU 35 -15.587 2.139 1.820 1006 HA LEU 35 HA LEU 35 -14.569 1.997 4.543 1007 1HB LEU 35 HB2 LEU 35 -13.663 0.599 2.694 1008 2HB LEU 35 HB1 LEU 35 -13.110 2.062 1.878 1009 HG LEU 35 HG LEU 35 -11.830 2.520 4.143 1010 1HD1 LEU 35 HD11 LEU 35 -12.866 0.689 5.414 1011 2HD1 LEU 35 HD12 LEU 35 -11.132 0.426 5.258 1012 3HD1 LEU 35 HD13 LEU 35 -12.254 -0.480 4.245 1013 1HD2 LEU 35 HD21 LEU 35 -9.936 1.050 3.312 1014 2HD2 LEU 35 HD22 LEU 35 -10.619 2.140 2.106 1015 3HD2 LEU 35 HD23 LEU 35 -11.054 0.430 2.096 1016 H ILE 36 HN ILE 36 -14.676 4.385 1.965 1017 HA ILE 36 HA ILE 36 -12.775 6.213 3.159 1018 HB ILE 36 HB ILE 36 -14.952 6.505 1.074 1019 1HG1 ILE 36 HG12 ILE 36 -11.958 6.856 0.830 1020 2HG1 ILE 36 HG11 ILE 36 -12.740 5.288 0.641 1021 1HG2 ILE 36 HG21 ILE 36 -13.165 8.625 2.279 1022 2HG2 ILE 36 HG22 ILE 36 -14.907 8.682 2.018 1023 3HG2 ILE 36 HG23 ILE 36 -13.809 8.779 0.642 1024 1HD1 ILE 36 HD11 ILE 36 -14.070 6.101 -1.210 1025 2HD1 ILE 36 HD12 ILE 36 -12.386 6.516 -1.529 1026 3HD1 ILE 36 HD13 ILE 36 -13.504 7.752 -0.949 1027 H ASN 37 HN ASN 37 -16.287 5.817 3.318 1028 HA ASN 37 HA ASN 37 -16.638 8.149 5.051 1029 1HB ASN 37 HB2 ASN 37 -18.429 7.526 3.521 1030 2HB ASN 37 HB1 ASN 37 -18.532 5.923 4.248 1031 1HD2 ASN 37 HD21 ASN 37 -18.978 5.997 6.748 1032 2HD2 ASN 37 HD22 ASN 37 -20.089 7.167 7.276 1033 H ASN 38 HN ASN 38 -16.073 4.738 5.504 1034 HA ASN 38 HA ASN 38 -16.886 4.899 8.370 1035 1HB ASN 38 HB2 ASN 38 -16.059 2.548 6.652 1036 2HB ASN 38 HB1 ASN 38 -16.542 2.438 8.345 1037 1HD2 ASN 38 HD21 ASN 38 -18.256 0.981 7.079 1038 2HD2 ASN 38 HD22 ASN 38 -19.686 1.780 6.630 1039 H GLU 39 HN GLU 39 -13.963 4.103 6.442 1040 HA GLU 39 HA GLU 39 -12.392 4.010 8.983 1041 1HB GLU 39 HB2 GLU 39 -12.282 2.239 7.069 1042 2HB GLU 39 HB1 GLU 39 -11.297 3.435 6.229 1043 1HG GLU 39 HG2 GLU 39 -9.781 2.011 7.429 1044 2HG GLU 39 HG1 GLU 39 -9.845 3.537 8.313 1045 H LEU 40 HN LEU 40 -11.618 5.237 5.714 1046 HA LEU 40 HA LEU 40 -9.901 7.296 6.853 1047 1HB LEU 40 HB2 LEU 40 -10.808 7.418 3.994 1048 2HB LEU 40 HB1 LEU 40 -9.211 7.718 4.675 1049 HG LEU 40 HG LEU 40 -10.539 5.008 4.333 1050 1HD1 LEU 40 HD11 LEU 40 -9.662 6.094 2.271 1051 2HD1 LEU 40 HD12 LEU 40 -8.786 4.622 2.692 1052 3HD1 LEU 40 HD13 LEU 40 -8.077 6.201 3.035 1053 1HD2 LEU 40 HD21 LEU 40 -7.787 5.716 5.414 1054 2HD2 LEU 40 HD22 LEU 40 -8.392 4.082 5.131 1055 3HD2 LEU 40 HD23 LEU 40 -9.124 5.087 6.378 1056 H SER 41 HN SER 41 -12.629 7.503 7.794 1057 HA SER 41 HA SER 41 -13.793 9.785 6.327 1058 1HB SER 41 HB2 SER 41 -15.731 9.312 7.482 1059 2HB SER 41 HB1 SER 41 -14.944 7.750 7.687 1060 HG SER 41 HG SER 41 -15.373 8.297 9.719 1061 H HIS 42 HN HIS 42 -11.644 9.235 8.977 1062 HA HIS 42 HA HIS 42 -12.192 11.855 10.229 1063 1HB HIS 42 HB2 HIS 42 -10.148 9.688 10.796 1064 2HB HIS 42 HB1 HIS 42 -10.265 11.190 11.712 1065 HD1 HIS 42 HD1 HIS 42 -11.834 11.146 13.658 1066 HD2 HIS 42 HD2 HIS 42 -12.755 8.180 10.872 1067 HE1 HIS 42 HE1 HIS 42 -13.737 9.795 14.649 1068 HE2 HIS 42 HE2 HIS 42 -14.298 7.983 12.966 1069 H PHE 43 HN PHE 43 -9.959 10.370 7.986 1070 HA PHE 43 HA PHE 43 -8.319 12.876 7.899 1071 1HB PHE 43 HB2 PHE 43 -7.732 10.120 6.772 1072 2HB PHE 43 HB1 PHE 43 -6.641 11.506 6.742 1073 HD1 PHE 43 HD1 PHE 43 -8.048 8.819 8.768 1074 HD2 PHE 43 HD2 PHE 43 -5.728 12.433 8.872 1075 HE1 PHE 43 HE1 PHE 43 -7.243 8.237 11.040 1076 HE2 PHE 43 HE2 PHE 43 -4.921 11.850 11.143 1077 HZ PHE 43 HZ PHE 43 -5.679 9.752 12.227 1078 H LEU 44 HN LEU 44 -10.105 10.549 5.867 1079 HA LEU 44 HA LEU 44 -9.907 12.453 3.580 1080 1HB LEU 44 HB2 LEU 44 -9.468 9.777 3.576 1081 2HB LEU 44 HB1 LEU 44 -11.193 9.773 3.232 1082 HG LEU 44 HG LEU 44 -10.773 11.372 1.348 1083 1HD1 LEU 44 HD11 LEU 44 -8.784 12.496 1.556 1084 2HD1 LEU 44 HD12 LEU 44 -8.137 11.122 0.667 1085 3HD1 LEU 44 HD13 LEU 44 -7.999 11.180 2.424 1086 1HD2 LEU 44 HD21 LEU 44 -9.729 9.647 -0.132 1087 2HD2 LEU 44 HD22 LEU 44 -10.981 8.981 0.916 1088 3HD2 LEU 44 HD23 LEU 44 -9.278 8.729 1.306 1089 H GLU 45 HN GLU 45 -11.658 13.662 3.044 1090 HA GLU 45 HA GLU 45 -13.979 13.813 4.637 1091 1HB GLU 45 HB2 GLU 45 -13.638 14.562 1.717 1092 2HB GLU 45 HB1 GLU 45 -14.974 15.083 2.743 1093 1HG GLU 45 HG2 GLU 45 -12.054 15.640 3.339 1094 2HG GLU 45 HG1 GLU 45 -13.146 16.789 2.566 1095 H GLU 46 HN GLU 46 -15.986 12.819 4.542 1096 HA GLU 46 HA GLU 46 -16.143 10.252 3.219 1097 1HB GLU 46 HB2 GLU 46 -18.630 10.465 3.981 1098 2HB GLU 46 HB1 GLU 46 -17.383 10.352 5.218 1099 1HG GLU 46 HG2 GLU 46 -18.217 13.071 4.222 1100 2HG GLU 46 HG1 GLU 46 -19.231 12.229 5.390 1101 H ILE 47 HN ILE 47 -16.211 10.311 0.982 1102 HA ILE 47 HA ILE 47 -17.440 12.415 -0.519 1103 HB ILE 47 HB ILE 47 -17.355 10.778 -2.440 1104 1HG1 ILE 47 HG12 ILE 47 -16.036 8.945 -0.412 1105 2HG1 ILE 47 HG11 ILE 47 -17.686 8.728 -0.988 1106 1HG2 ILE 47 HG21 ILE 47 -15.452 12.226 -1.961 1107 2HG2 ILE 47 HG22 ILE 47 -14.874 10.631 -2.448 1108 3HG2 ILE 47 HG23 ILE 47 -14.863 11.092 -0.745 1109 1HD1 ILE 47 HD11 ILE 47 -16.916 8.476 -3.278 1110 2HD1 ILE 47 HD12 ILE 47 -16.025 7.350 -2.254 1111 3HD1 ILE 47 HD13 ILE 47 -15.259 8.842 -2.798 1112 H LYS 48 HN LYS 48 -19.530 12.703 -1.189 1113 HA LYS 48 HA LYS 48 -21.564 10.739 -0.221 1114 1HB LYS 48 HB2 LYS 48 -21.598 13.661 -0.958 1115 2HB LYS 48 HB1 LYS 48 -23.090 12.741 -1.130 1116 1HG LYS 48 HG2 LYS 48 -22.967 13.801 1.090 1117 2HG LYS 48 HG1 LYS 48 -22.950 12.045 1.229 1118 1HD LYS 48 HD2 LYS 48 -21.266 13.058 2.715 1119 2HD LYS 48 HD1 LYS 48 -20.493 12.082 1.469 1120 1HE LYS 48 HE2 LYS 48 -19.674 13.951 0.327 1121 2HE LYS 48 HE1 LYS 48 -20.922 15.020 0.970 1122 1HZ LYS 48 HZ1 LYS 48 -18.785 13.796 2.622 1123 2HZ LYS 48 HZ2 LYS 48 -19.891 14.997 3.094 1124 3HZ LYS 48 HZ3 LYS 48 -18.685 15.350 1.950 1125 H GLU 49 HN GLU 49 -19.851 11.737 -2.949 1126 HA GLU 49 HA GLU 49 -21.750 10.322 -4.795 1127 1HB GLU 49 HB2 GLU 49 -19.874 12.624 -5.433 1128 2HB GLU 49 HB1 GLU 49 -20.947 11.815 -6.577 1129 1HG GLU 49 HG2 GLU 49 -22.907 12.522 -5.275 1130 2HG GLU 49 HG1 GLU 49 -21.855 13.290 -4.086 1131 H GLN 50 HN GLN 50 -20.847 8.492 -5.611 1132 HA GLN 50 HA GLN 50 -18.228 7.619 -5.045 1133 1HB GLN 50 HB2 GLN 50 -19.419 6.727 -7.648 1134 2HB GLN 50 HB1 GLN 50 -18.746 5.766 -6.334 1135 1HG GLN 50 HG2 GLN 50 -21.023 5.282 -6.137 1136 2HG GLN 50 HG1 GLN 50 -20.855 6.614 -4.995 1137 1HE2 GLN 50 HE21 GLN 50 -22.877 7.665 -5.235 1138 2HE2 GLN 50 HE22 GLN 50 -23.463 8.262 -6.712 1139 H GLU 51 HN GLU 51 -19.264 10.060 -7.143 1140 HA GLU 51 HA GLU 51 -17.763 10.113 -9.373 1141 1HB GLU 51 HB2 GLU 51 -19.216 11.974 -8.400 1142 2HB GLU 51 HB1 GLU 51 -17.767 12.507 -7.547 1143 1HG GLU 51 HG2 GLU 51 -16.571 12.762 -9.664 1144 2HG GLU 51 HG1 GLU 51 -17.964 12.141 -10.551 1145 H VAL 52 HN VAL 52 -16.343 11.109 -6.215 1146 HA VAL 52 HA VAL 52 -13.761 11.447 -7.439 1147 HB VAL 52 HB VAL 52 -13.842 10.725 -4.535 1148 1HG1 VAL 52 HG11 VAL 52 -11.808 11.641 -5.494 1149 2HG1 VAL 52 HG12 VAL 52 -12.494 12.827 -4.383 1150 3HG1 VAL 52 HG13 VAL 52 -12.685 13.036 -6.123 1151 1HG2 VAL 52 HG21 VAL 52 -15.389 13.045 -5.698 1152 2HG2 VAL 52 HG22 VAL 52 -14.763 13.078 -4.048 1153 3HG2 VAL 52 HG23 VAL 52 -15.929 11.845 -4.523 1154 H VAL 53 HN VAL 53 -15.458 8.838 -5.911 1155 HA VAL 53 HA VAL 53 -13.228 7.012 -5.883 1156 HB VAL 53 HB VAL 53 -15.974 7.034 -5.045 1157 1HG1 VAL 53 HG11 VAL 53 -16.722 4.778 -5.705 1158 2HG1 VAL 53 HG12 VAL 53 -15.311 4.611 -6.750 1159 3HG1 VAL 53 HG13 VAL 53 -16.542 5.820 -7.116 1160 1HG2 VAL 53 HG21 VAL 53 -13.992 6.303 -3.733 1161 2HG2 VAL 53 HG22 VAL 53 -13.908 4.850 -4.725 1162 3HG2 VAL 53 HG23 VAL 53 -15.307 5.129 -3.690 1163 H ASP 54 HN ASP 54 -15.409 8.226 -8.252 1164 HA ASP 54 HA ASP 54 -14.912 6.078 -10.191 1165 1HB ASP 54 HB2 ASP 54 -16.967 7.663 -10.118 1166 2HB ASP 54 HB1 ASP 54 -15.903 8.864 -10.850 1167 H LYS 55 HN LYS 55 -13.650 9.247 -9.357 1168 HA LYS 55 HA LYS 55 -11.798 9.313 -11.638 1169 1HB LYS 55 HB2 LYS 55 -12.612 11.430 -10.802 1170 2HB LYS 55 HB1 LYS 55 -12.089 11.047 -9.165 1171 1HG LYS 55 HG2 LYS 55 -9.950 10.943 -11.251 1172 2HG LYS 55 HG1 LYS 55 -10.602 12.543 -10.921 1173 1HD LYS 55 HD2 LYS 55 -9.809 10.774 -8.611 1174 2HD LYS 55 HD1 LYS 55 -8.567 11.645 -9.504 1175 1HE LYS 55 HE2 LYS 55 -11.018 12.954 -8.290 1176 2HE LYS 55 HE1 LYS 55 -9.438 12.896 -7.508 1177 1HZ LYS 55 HZ1 LYS 55 -9.114 13.790 -10.148 1178 2HZ LYS 55 HZ2 LYS 55 -8.801 14.625 -8.703 1179 3HZ LYS 55 HZ3 LYS 55 -10.339 14.712 -9.422 1180 H VAL 56 HN VAL 56 -11.596 8.718 -8.117 1181 HA VAL 56 HA VAL 56 -8.790 8.418 -7.971 1182 HB VAL 56 HB VAL 56 -10.713 8.281 -6.109 1183 1HG1 VAL 56 HG11 VAL 56 -9.976 5.359 -6.402 1184 2HG1 VAL 56 HG12 VAL 56 -11.489 6.028 -7.005 1185 3HG1 VAL 56 HG13 VAL 56 -11.136 6.072 -5.283 1186 1HG2 VAL 56 HG21 VAL 56 -8.392 8.559 -5.533 1187 2HG2 VAL 56 HG22 VAL 56 -8.019 6.901 -6.005 1188 3HG2 VAL 56 HG23 VAL 56 -9.008 7.210 -4.578 1189 H MET 57 HN MET 57 -11.291 6.037 -8.822 1190 HA MET 57 HA MET 57 -9.546 3.809 -9.182 1191 1HB MET 57 HB2 MET 57 -12.205 4.551 -10.411 1192 2HB MET 57 HB1 MET 57 -11.374 3.055 -10.843 1193 1HG MET 57 HG2 MET 57 -11.334 2.377 -8.484 1194 2HG MET 57 HG1 MET 57 -12.130 3.881 -8.025 1195 1HE MET 57 HE1 MET 57 -12.730 0.286 -8.448 1196 2HE MET 57 HE2 MET 57 -14.412 0.462 -7.946 1197 3HE MET 57 HE3 MET 57 -13.146 1.308 -7.063 1198 H GLU 58 HN GLU 58 -10.340 6.519 -11.301 1199 HA GLU 58 HA GLU 58 -9.123 5.408 -13.665 1200 1HB GLU 58 HB2 GLU 58 -9.699 8.262 -12.825 1201 2HB GLU 58 HB1 GLU 58 -9.005 7.844 -14.391 1202 1HG GLU 58 HG2 GLU 58 -10.933 6.567 -15.010 1203 2HG GLU 58 HG1 GLU 58 -11.575 6.622 -13.368 1204 H THR 59 HN THR 59 -7.896 7.038 -10.842 1205 HA THR 59 HA THR 59 -5.205 7.347 -12.051 1206 HB THR 59 HB THR 59 -6.167 7.992 -9.250 1207 HG1 THR 59 HG1 THR 59 -7.136 9.488 -10.399 1208 1HG2 THR 59 HG21 THR 59 -3.789 7.706 -9.240 1209 2HG2 THR 59 HG22 THR 59 -4.072 9.444 -9.328 1210 3HG2 THR 59 HG23 THR 59 -3.619 8.551 -10.779 1211 H LEU 60 HN LEU 60 -6.969 5.259 -9.858 1212 HA LEU 60 HA LEU 60 -4.445 3.872 -9.077 1213 1HB LEU 60 HB2 LEU 60 -7.217 4.043 -7.954 1214 2HB LEU 60 HB1 LEU 60 -6.300 2.575 -7.632 1215 HG LEU 60 HG LEU 60 -6.029 4.286 -5.862 1216 1HD1 LEU 60 HD11 LEU 60 -3.305 4.212 -7.095 1217 2HD1 LEU 60 HD12 LEU 60 -4.100 2.656 -6.858 1218 3HD1 LEU 60 HD13 LEU 60 -3.835 3.726 -5.489 1219 1HD2 LEU 60 HD21 LEU 60 -4.899 6.370 -6.292 1220 2HD2 LEU 60 HD22 LEU 60 -6.221 6.241 -7.451 1221 3HD2 LEU 60 HD23 LEU 60 -4.566 5.908 -7.959 1222 H ASP 61 HN ASP 61 -7.669 3.059 -10.532 1223 HA ASP 61 HA ASP 61 -7.155 0.316 -10.895 1224 1HB ASP 61 HB2 ASP 61 -9.288 1.687 -11.323 1225 2HB ASP 61 HB1 ASP 61 -8.600 2.020 -12.913 1226 H GLU 62 HN GLU 62 -5.406 -0.489 -11.751 1227 HA GLU 62 HA GLU 62 -3.990 0.890 -13.947 1228 1HB GLU 62 HB2 GLU 62 -3.289 -1.746 -12.629 1229 2HB GLU 62 HB1 GLU 62 -2.230 -0.736 -13.612 1230 1HG GLU 62 HG2 GLU 62 -3.423 0.042 -10.936 1231 2HG GLU 62 HG1 GLU 62 -1.749 -0.433 -11.215 1232 H ASP 63 HN ASP 63 -5.585 -2.203 -13.318 1233 HA ASP 63 HA ASP 63 -5.354 -3.004 -16.123 1234 1HB ASP 63 HB2 ASP 63 -6.974 -4.832 -15.339 1235 2HB ASP 63 HB1 ASP 63 -5.395 -4.806 -14.553 1236 H GLY 64 HN GLY 64 -7.218 -0.753 -14.483 1237 1HA GLY 64 HA2 GLY 64 -9.203 0.366 -15.116 1238 2HA GLY 64 HA1 GLY 64 -8.956 -0.321 -16.723 1239 H ASP 65 HN ASP 65 -9.410 -2.001 -13.630 1240 HA ASP 65 HA ASP 65 -11.518 -3.659 -14.913 1241 1HB ASP 65 HB2 ASP 65 -11.324 -5.027 -12.851 1242 2HB ASP 65 HB1 ASP 65 -9.761 -4.794 -13.636 1243 H GLY 66 HN GLY 66 -11.410 -0.825 -13.106 1244 1HA GLY 66 HA2 GLY 66 -13.224 0.403 -12.194 1245 2HA GLY 66 HA1 GLY 66 -14.298 -0.923 -12.651 1246 H GLU 67 HN GLU 67 -11.788 -2.308 -11.111 1247 HA GLU 67 HA GLU 67 -13.006 -2.076 -8.379 1248 1HB GLU 67 HB2 GLU 67 -11.838 -4.593 -9.618 1249 2HB GLU 67 HB1 GLU 67 -12.641 -4.455 -8.054 1250 1HG GLU 67 HG2 GLU 67 -14.699 -3.642 -9.327 1251 2HG GLU 67 HG1 GLU 67 -13.878 -4.161 -10.799 1252 H CYS 68 HN CYS 68 -11.274 -2.911 -6.720 1253 HA CYS 68 HA CYS 68 -8.537 -2.098 -7.653 1254 1HB CYS 68 HB2 CYS 68 -10.085 -1.220 -5.225 1255 2HB CYS 68 HB1 CYS 68 -8.322 -1.188 -5.231 1256 HG CYS 68 HG CYS 68 -8.376 0.804 -6.696 1257 H ASP 69 HN ASP 69 -7.790 -4.231 -7.802 1258 HA ASP 69 HA ASP 69 -8.162 -6.320 -5.963 1259 1HB ASP 69 HB2 ASP 69 -5.956 -7.186 -6.762 1260 2HB ASP 69 HB1 ASP 69 -6.999 -6.672 -8.089 1261 H PHE 70 HN PHE 70 -5.774 -7.067 -4.770 1262 HA PHE 70 HA PHE 70 -5.674 -5.229 -2.521 1263 1HB PHE 70 HB2 PHE 70 -3.761 -6.957 -1.886 1264 2HB PHE 70 HB1 PHE 70 -5.456 -7.414 -1.791 1265 HD1 PHE 70 HD1 PHE 70 -2.536 -7.443 -4.140 1266 HD2 PHE 70 HD2 PHE 70 -6.268 -9.243 -3.022 1267 HE1 PHE 70 HE1 PHE 70 -2.170 -9.232 -5.812 1268 HE2 PHE 70 HE2 PHE 70 -5.903 -11.037 -4.695 1269 HZ PHE 70 HZ PHE 70 -3.853 -11.031 -6.090 1270 H GLN 71 HN GLN 71 -3.628 -5.890 -5.293 1271 HA GLN 71 HA GLN 71 -1.251 -4.681 -4.277 1272 1HB GLN 71 HB2 GLN 71 -1.262 -6.233 -6.205 1273 2HB GLN 71 HB1 GLN 71 -2.132 -5.029 -7.158 1274 1HG GLN 71 HG2 GLN 71 -0.285 -3.470 -6.952 1275 2HG GLN 71 HG1 GLN 71 0.569 -4.579 -5.875 1276 1HE2 GLN 71 HE21 GLN 71 -0.125 -7.012 -7.384 1277 2HE2 GLN 71 HE22 GLN 71 0.761 -6.960 -8.831 1278 H GLU 72 HN GLU 72 -3.925 -3.358 -6.246 1279 HA GLU 72 HA GLU 72 -2.631 -0.696 -6.154 1280 1HB GLU 72 HB2 GLU 72 -4.229 -0.011 -7.763 1281 2HB GLU 72 HB1 GLU 72 -3.746 -1.640 -8.229 1282 1HG GLU 72 HG2 GLU 72 -5.864 -2.251 -6.628 1283 2HG GLU 72 HG1 GLU 72 -6.379 -0.660 -7.191 1284 H PHE 73 HN PHE 73 -5.360 -2.444 -4.729 1285 HA PHE 73 HA PHE 73 -6.744 -0.248 -3.621 1286 1HB PHE 73 HB2 PHE 73 -7.712 -2.435 -3.342 1287 2HB PHE 73 HB1 PHE 73 -6.268 -3.024 -2.527 1288 HD1 PHE 73 HD1 PHE 73 -6.287 -3.133 -0.191 1289 HD2 PHE 73 HD2 PHE 73 -8.828 -0.299 -2.186 1290 HE1 PHE 73 HE1 PHE 73 -7.249 -2.460 1.992 1291 HE2 PHE 73 HE2 PHE 73 -9.790 0.372 0.000 1292 HZ PHE 73 HZ PHE 73 -9.000 -0.710 2.087 1293 H MET 74 HN MET 74 -3.897 -1.982 -2.373 1294 HA MET 74 HA MET 74 -3.654 -0.335 -0.036 1295 1HB MET 74 HB2 MET 74 -2.068 -2.361 -1.431 1296 2HB MET 74 HB1 MET 74 -1.027 -1.046 -0.898 1297 1HG MET 74 HG2 MET 74 -3.010 -2.277 1.012 1298 2HG MET 74 HG1 MET 74 -1.451 -3.044 0.720 1299 1HE MET 74 HE1 MET 74 0.855 -2.161 1.700 1300 2HE MET 74 HE2 MET 74 -0.315 -2.940 2.762 1301 3HE MET 74 HE3 MET 74 0.566 -1.523 3.327 1302 H ALA 75 HN ALA 75 -2.344 -0.161 -3.304 1303 HA ALA 75 HA ALA 75 -0.819 2.197 -3.033 1304 1HB ALA 75 HB1 ALA 75 -2.544 1.669 -5.458 1305 2HB ALA 75 HB2 ALA 75 -1.080 0.750 -5.126 1306 3HB ALA 75 HB3 ALA 75 -0.989 2.489 -5.392 1307 H PHE 76 HN PHE 76 -4.272 1.862 -2.899 1308 HA PHE 76 HA PHE 76 -4.826 4.660 -3.499 1309 1HB PHE 76 HB2 PHE 76 -6.718 3.223 -3.722 1310 2HB PHE 76 HB1 PHE 76 -6.468 2.523 -2.133 1311 HD1 PHE 76 HD1 PHE 76 -8.189 3.114 -0.668 1312 HD2 PHE 76 HD2 PHE 76 -6.667 6.061 -3.404 1313 HE1 PHE 76 HE1 PHE 76 -9.689 4.813 0.325 1314 HE2 PHE 76 HE2 PHE 76 -8.168 7.759 -2.402 1315 HZ PHE 76 HZ PHE 76 -9.680 7.137 -0.538 1316 H VAL 77 HN VAL 77 -4.593 2.830 -0.442 1317 HA VAL 77 HA VAL 77 -4.877 5.048 1.305 1318 HB VAL 77 HB VAL 77 -3.271 2.490 1.568 1319 1HG1 VAL 77 HG11 VAL 77 -3.431 3.112 4.081 1320 2HG1 VAL 77 HG12 VAL 77 -3.726 4.755 3.509 1321 3HG1 VAL 77 HG13 VAL 77 -2.217 3.940 3.106 1322 1HG2 VAL 77 HG21 VAL 77 -5.143 1.824 3.007 1323 2HG2 VAL 77 HG22 VAL 77 -5.737 2.280 1.413 1324 3HG2 VAL 77 HG23 VAL 77 -5.905 3.395 2.770 1325 H SER 78 HN SER 78 -2.132 3.861 -0.522 1326 HA SER 78 HA SER 78 -0.103 5.467 0.703 1327 1HB SER 78 HB2 SER 78 0.022 4.738 -2.206 1328 2HB SER 78 HB1 SER 78 1.281 4.637 -0.975 1329 HG SER 78 HG SER 78 -0.408 3.024 -0.062 1330 H MET 79 HN MET 79 -2.425 6.032 -1.866 1331 HA MET 79 HA MET 79 -1.274 8.567 -2.668 1332 1HB MET 79 HB2 MET 79 -2.736 7.112 -4.150 1333 2HB MET 79 HB1 MET 79 -4.104 7.583 -3.145 1334 1HG MET 79 HG2 MET 79 -4.101 9.775 -3.931 1335 2HG MET 79 HG1 MET 79 -2.378 9.762 -4.294 1336 1HE MET 79 HE1 MET 79 -5.824 8.230 -5.205 1337 2HE MET 79 HE2 MET 79 -5.882 8.622 -6.922 1338 3HE MET 79 HE3 MET 79 -5.728 9.915 -5.735 1339 H VAL 80 HN VAL 80 -3.462 7.429 -0.273 1340 HA VAL 80 HA VAL 80 -4.488 10.102 0.402 1341 HB VAL 80 HB VAL 80 -4.811 7.402 1.766 1342 1HG1 VAL 80 HG11 VAL 80 -6.771 8.695 2.869 1343 2HG1 VAL 80 HG12 VAL 80 -5.909 10.148 2.362 1344 3HG1 VAL 80 HG13 VAL 80 -5.140 9.007 3.462 1345 1HG2 VAL 80 HG21 VAL 80 -5.897 7.574 -0.464 1346 2HG2 VAL 80 HG22 VAL 80 -6.761 9.011 0.087 1347 3HG2 VAL 80 HG23 VAL 80 -7.078 7.447 0.841 1348 H THR 81 HN THR 81 -2.192 7.664 1.466 1349 HA THR 81 HA THR 81 -1.482 9.060 3.909 1350 HB THR 81 HB THR 81 0.218 7.067 2.389 1351 HG1 THR 81 HG1 THR 81 -1.954 6.328 2.734 1352 1HG2 THR 81 HG21 THR 81 1.312 8.184 4.271 1353 2HG2 THR 81 HG22 THR 81 0.983 6.501 4.682 1354 3HG2 THR 81 HG23 THR 81 -0.047 7.783 5.321 1355 H THR 82 HN THR 82 -0.347 9.041 0.534 1356 HA THR 82 HA THR 82 2.066 10.508 1.058 1357 HB THR 82 HB THR 82 1.867 11.043 -1.422 1358 HG1 THR 82 HG1 THR 82 -0.249 9.190 -1.311 1359 1HG2 THR 82 HG21 THR 82 1.831 8.382 -1.881 1360 2HG2 THR 82 HG22 THR 82 2.021 8.350 -0.129 1361 3HG2 THR 82 HG23 THR 82 3.201 9.197 -1.127 1362 H ALA 83 HN ALA 83 -1.286 11.571 0.335 1363 HA ALA 83 HA ALA 83 -0.578 14.318 -0.070 1364 1HB ALA 83 HB1 ALA 83 -2.744 13.365 -0.787 1365 2HB ALA 83 HB2 ALA 83 -2.984 14.739 0.292 1366 3HB ALA 83 HB3 ALA 83 -3.179 13.095 0.900 1367 H CYS 84 HN CYS 84 -1.448 12.386 2.778 1368 HA CYS 84 HA CYS 84 -1.420 14.735 4.538 1369 1HB CYS 84 HB2 CYS 84 -1.870 13.205 6.318 1370 2HB CYS 84 HB1 CYS 84 -2.776 12.606 4.929 1371 HG CYS 84 HG CYS 84 -0.801 10.976 6.362 1372 H HIS 85 HN HIS 85 0.986 13.027 3.008 1373 HA HIS 85 HA HIS 85 2.957 13.351 5.238 1374 1HB HIS 85 HB2 HIS 85 2.963 11.152 4.173 1375 2HB HIS 85 HB1 HIS 85 3.145 11.895 2.585 1376 HD1 HIS 85 HD1 HIS 85 5.015 11.946 5.921 1377 HD2 HIS 85 HD2 HIS 85 5.786 12.075 1.827 1378 HE1 HIS 85 HE1 HIS 85 7.534 11.982 5.668 1379 H GLU 86 HN GLU 86 2.282 14.314 1.886 1380 HA GLU 86 HA GLU 86 4.707 15.968 1.753 1381 1HB GLU 86 HB2 GLU 86 3.969 16.559 -0.464 1382 2HB GLU 86 HB1 GLU 86 3.652 14.837 -0.257 1383 1HG GLU 86 HG2 GLU 86 1.292 15.572 0.526 1384 2HG GLU 86 HG1 GLU 86 1.687 17.128 -0.202 1385 H PHE 87 HN PHE 87 1.353 16.354 2.623 1386 HA PHE 87 HA PHE 87 1.127 19.186 2.340 1387 1HB PHE 87 HB2 PHE 87 -0.842 17.807 2.738 1388 2HB PHE 87 HB1 PHE 87 -0.200 17.280 4.293 1389 HD1 PHE 87 HD1 PHE 87 -1.795 20.020 2.449 1390 HD2 PHE 87 HD2 PHE 87 -0.068 18.833 6.198 1391 HE1 PHE 87 HE1 PHE 87 -2.820 21.994 3.547 1392 HE2 PHE 87 HE2 PHE 87 -1.091 20.806 7.296 1393 HZ PHE 87 HZ PHE 87 -2.468 22.387 5.970 1394 H PHE 88 HN PHE 88 1.822 17.274 5.295 1395 HA PHE 88 HA PHE 88 2.516 19.541 6.891 1396 1HB PHE 88 HB2 PHE 88 1.983 17.304 7.834 1397 2HB PHE 88 HB1 PHE 88 3.490 16.680 7.162 1398 HD1 PHE 88 HD1 PHE 88 2.012 18.972 9.660 1399 HD2 PHE 88 HD2 PHE 88 5.634 17.241 8.131 1400 HE1 PHE 88 HE1 PHE 88 3.246 19.796 11.648 1401 HE2 PHE 88 HE2 PHE 88 6.867 18.064 10.119 1402 HZ PHE 88 HZ PHE 88 5.673 19.343 11.877 1403 H GLU 89 HN GLU 89 4.339 17.616 4.593 1404 HA GLU 89 HA GLU 89 6.881 18.959 5.356 1405 1HB GLU 89 HB2 GLU 89 6.313 16.817 3.283 1406 2HB GLU 89 HB1 GLU 89 7.911 17.416 3.729 1407 1HG GLU 89 HG2 GLU 89 7.478 16.688 6.081 1408 2HG GLU 89 HG1 GLU 89 5.953 15.983 5.545 1409 H HIS 90 HN HIS 90 4.579 20.390 4.037 1410 HA HIS 90 HA HIS 90 5.317 20.856 1.284 1411 1HB HIS 90 HB2 HIS 90 3.068 21.402 2.042 1412 2HB HIS 90 HB1 HIS 90 3.707 22.541 3.228 1413 HD1 HIS 90 HD1 HIS 90 3.156 24.826 2.365 1414 HD2 HIS 90 HD2 HIS 90 4.552 22.329 -0.672 1415 HE1 HIS 90 HE1 HIS 90 3.346 26.262 0.285 1416 HE2 HIS 90 HE2 HIS 90 4.190 24.751 -1.569 1417 H GLU 91 HN GLU 91 7.445 21.464 1.014 1418 HA GLU 91 HA GLU 91 8.818 23.295 2.777 1419 1HB GLU 91 HB2 GLU 91 10.559 23.319 1.004 1420 2HB GLU 91 HB1 GLU 91 10.057 21.676 1.405 1421 1HG GLU 91 HG2 GLU 91 8.394 21.862 -0.528 1422 2HG GLU 91 HG1 GLU 91 9.262 23.323 -1.003 Start of MODEL 2 1 1H MET 0 HT1 MET 0 -8.930 0.677 16.777 2 2H MET 0 HT2 MET 0 -9.974 -0.138 15.714 3 3H MET 0 HT3 MET 0 -10.469 0.200 17.304 4 HA MET 0 HA MET 0 -11.557 1.826 16.119 5 1HB MET 0 HB2 MET 0 -9.963 2.664 17.962 6 2HB MET 0 HB1 MET 0 -8.912 3.193 16.650 7 1HG MET 0 HG2 MET 0 -10.281 5.077 17.200 8 2HG MET 0 HG1 MET 0 -10.933 4.424 15.700 9 1HE MET 0 HE1 MET 0 -11.522 5.607 19.091 10 2HE MET 0 HE2 MET 0 -11.227 3.962 19.645 11 3HE MET 0 HE3 MET 0 -12.834 4.663 19.808 12 H SER 1 HN SER 1 -9.194 3.817 15.009 13 HA SER 1 HA SER 1 -9.817 3.189 12.224 14 1HB SER 1 HB2 SER 1 -8.164 5.094 11.807 15 2HB SER 1 HB1 SER 1 -9.615 5.506 12.714 16 HG SER 1 HG SER 1 -8.162 6.245 14.073 17 H GLU 2 HN GLU 2 -8.888 1.030 12.265 18 HA GLU 2 HA GLU 2 -6.172 0.394 12.775 19 1HB GLU 2 HB2 GLU 2 -8.193 -0.769 10.855 20 2HB GLU 2 HB1 GLU 2 -6.561 -1.427 10.980 21 1HG GLU 2 HG2 GLU 2 -6.900 -1.779 13.404 22 2HG GLU 2 HG1 GLU 2 -8.539 -1.142 13.260 23 H LEU 3 HN LEU 3 -7.676 1.880 9.958 24 HA LEU 3 HA LEU 3 -5.315 1.662 8.294 25 1HB LEU 3 HB2 LEU 3 -8.007 2.892 8.115 26 2HB LEU 3 HB1 LEU 3 -6.776 3.750 7.200 27 HG LEU 3 HG LEU 3 -7.005 0.752 6.978 28 1HD1 LEU 3 HD11 LEU 3 -9.259 1.956 6.473 29 2HD1 LEU 3 HD12 LEU 3 -8.618 0.822 5.291 30 3HD1 LEU 3 HD13 LEU 3 -8.429 2.548 5.035 31 1HD2 LEU 3 HD21 LEU 3 -5.071 2.250 6.057 32 2HD2 LEU 3 HD22 LEU 3 -6.237 2.694 4.814 33 3HD2 LEU 3 HD23 LEU 3 -5.762 1.009 5.015 34 H GLU 4 HN GLU 4 -6.283 3.874 10.798 35 HA GLU 4 HA GLU 4 -4.528 6.029 9.934 36 1HB GLU 4 HB2 GLU 4 -6.434 6.566 11.343 37 2HB GLU 4 HB1 GLU 4 -5.874 5.456 12.592 38 1HG GLU 4 HG2 GLU 4 -5.345 7.834 13.117 39 2HG GLU 4 HG1 GLU 4 -3.893 6.847 12.978 40 H LYS 5 HN LYS 5 -4.279 3.228 12.068 41 HA LYS 5 HA LYS 5 -1.740 3.972 13.227 42 1HB LYS 5 HB2 LYS 5 -3.379 1.460 13.026 43 2HB LYS 5 HB1 LYS 5 -1.691 1.310 13.515 44 1HG LYS 5 HG2 LYS 5 -2.004 2.527 15.480 45 2HG LYS 5 HG1 LYS 5 -3.417 3.375 14.860 46 1HD LYS 5 HD2 LYS 5 -3.579 0.388 15.217 47 2HD LYS 5 HD1 LYS 5 -3.690 1.416 16.642 48 1HE LYS 5 HE2 LYS 5 -5.690 2.400 15.949 49 2HE LYS 5 HE1 LYS 5 -5.382 2.075 14.242 50 1HZ LYS 5 HZ1 LYS 5 -5.811 -0.229 14.579 51 2HZ LYS 5 HZ2 LYS 5 -7.109 0.640 15.247 52 3HZ LYS 5 HZ3 LYS 5 -5.923 -0.034 16.260 53 H ALA 6 HN ALA 6 -2.675 1.885 10.507 54 HA ALA 6 HA ALA 6 -0.079 1.071 9.719 55 1HB ALA 6 HB1 ALA 6 -2.747 1.322 8.407 56 2HB ALA 6 HB2 ALA 6 -1.687 -0.081 8.514 57 3HB ALA 6 HB3 ALA 6 -1.358 1.182 7.329 58 H MET 7 HN MET 7 -2.011 3.801 8.498 59 HA MET 7 HA MET 7 -0.133 4.950 6.782 60 1HB MET 7 HB2 MET 7 -2.033 6.377 8.672 61 2HB MET 7 HB1 MET 7 -1.231 7.130 7.296 62 1HG MET 7 HG2 MET 7 -2.550 6.014 5.746 63 2HG MET 7 HG1 MET 7 -2.805 4.625 6.795 64 1HE MET 7 HE1 MET 7 -4.821 6.312 4.954 65 2HE MET 7 HE2 MET 7 -6.286 6.280 5.923 66 3HE MET 7 HE3 MET 7 -5.307 4.823 5.776 67 H VAL 8 HN VAL 8 -0.372 5.283 10.320 68 HA VAL 8 HA VAL 8 1.808 7.184 10.490 69 HB VAL 8 HB VAL 8 0.464 5.380 12.517 70 1HG1 VAL 8 HG11 VAL 8 2.788 7.284 12.878 71 2HG1 VAL 8 HG12 VAL 8 2.681 5.597 13.376 72 3HG1 VAL 8 HG13 VAL 8 1.729 6.824 14.212 73 1HG2 VAL 8 HG21 VAL 8 -0.278 7.620 13.400 74 2HG2 VAL 8 HG22 VAL 8 -0.881 7.257 11.783 75 3HG2 VAL 8 HG23 VAL 8 0.473 8.367 11.990 76 H ALA 9 HN ALA 9 1.616 3.678 11.099 77 HA ALA 9 HA ALA 9 4.384 3.331 11.684 78 1HB ALA 9 HB1 ALA 9 3.871 0.927 10.733 79 2HB ALA 9 HB2 ALA 9 2.209 1.510 10.682 80 3HB ALA 9 HB3 ALA 9 3.078 1.460 12.214 81 H LEU 10 HN LEU 10 2.654 3.635 8.644 82 HA LEU 10 HA LEU 10 4.929 2.769 7.024 83 1HB LEU 10 HB2 LEU 10 2.209 3.939 6.502 84 2HB LEU 10 HB1 LEU 10 3.387 3.895 5.195 85 HG LEU 10 HG LEU 10 3.188 1.313 6.658 86 1HD1 LEU 10 HD11 LEU 10 0.898 1.532 6.884 87 2HD1 LEU 10 HD12 LEU 10 0.996 0.805 5.287 88 3HD1 LEU 10 HD13 LEU 10 0.728 2.541 5.451 89 1HD2 LEU 10 HD21 LEU 10 3.139 0.425 4.368 90 2HD2 LEU 10 HD22 LEU 10 4.407 1.642 4.518 91 3HD2 LEU 10 HD23 LEU 10 2.886 2.048 3.727 92 H ILE 11 HN ILE 11 3.324 5.935 7.520 93 HA ILE 11 HA ILE 11 4.970 7.577 6.021 94 HB ILE 11 HB ILE 11 3.697 8.064 8.722 95 1HG1 ILE 11 HG12 ILE 11 2.991 9.253 6.033 96 2HG1 ILE 11 HG11 ILE 11 2.370 7.679 6.528 97 1HG2 ILE 11 HG21 ILE 11 5.464 9.660 8.685 98 2HG2 ILE 11 HG22 ILE 11 4.059 10.533 8.077 99 3HG2 ILE 11 HG23 ILE 11 5.280 9.938 6.953 100 1HD1 ILE 11 HD11 ILE 11 1.306 8.639 8.478 101 2HD1 ILE 11 HD12 ILE 11 0.829 9.594 7.075 102 3HD1 ILE 11 HD13 ILE 11 2.063 10.203 8.177 103 H ASP 12 HN ASP 12 5.690 6.080 9.132 104 HA ASP 12 HA ASP 12 8.123 7.578 9.570 105 1HB ASP 12 HB2 ASP 12 7.134 4.946 10.692 106 2HB ASP 12 HB1 ASP 12 8.624 5.731 11.219 107 H VAL 13 HN VAL 13 7.501 4.266 8.372 108 HA VAL 13 HA VAL 13 10.302 3.898 7.669 109 HB VAL 13 HB VAL 13 7.967 2.260 6.627 110 1HG1 VAL 13 HG11 VAL 13 9.752 0.448 6.808 111 2HG1 VAL 13 HG12 VAL 13 10.916 1.744 7.078 112 3HG1 VAL 13 HG13 VAL 13 10.021 1.665 5.560 113 1HG2 VAL 13 HG21 VAL 13 9.481 1.870 9.226 114 2HG2 VAL 13 HG22 VAL 13 8.173 0.862 8.606 115 3HG2 VAL 13 HG23 VAL 13 7.843 2.516 9.118 116 H PHE 14 HN PHE 14 7.449 5.173 6.084 117 HA PHE 14 HA PHE 14 8.471 4.865 3.385 118 1HB PHE 14 HB2 PHE 14 6.175 6.191 4.664 119 2HB PHE 14 HB1 PHE 14 6.756 7.069 3.260 120 HD1 PHE 14 HD1 PHE 14 5.221 6.610 1.537 121 HD2 PHE 14 HD2 PHE 14 6.704 3.388 3.962 122 HE1 PHE 14 HE1 PHE 14 4.089 4.975 0.056 123 HE2 PHE 14 HE2 PHE 14 5.572 1.752 2.481 124 HZ PHE 14 HZ PHE 14 4.264 2.545 0.527 125 H HIS 15 HN HIS 15 8.409 7.769 5.517 126 HA HIS 15 HA HIS 15 10.034 9.264 3.641 127 1HB HIS 15 HB2 HIS 15 8.400 10.150 5.467 128 2HB HIS 15 HB1 HIS 15 9.769 9.975 6.560 129 HD1 HIS 15 HD1 HIS 15 10.499 12.359 6.888 130 HD2 HIS 15 HD2 HIS 15 9.966 11.455 2.850 131 HE1 HIS 15 HE1 HIS 15 11.289 14.380 5.585 132 H GLN 16 HN GLN 16 10.793 7.138 6.334 133 HA GLN 16 HA GLN 16 13.467 8.129 6.772 134 1HB GLN 16 HB2 GLN 16 12.078 5.516 7.380 135 2HB GLN 16 HB1 GLN 16 13.796 5.731 7.717 136 1HG GLN 16 HG2 GLN 16 13.373 7.536 9.222 137 2HG GLN 16 HG1 GLN 16 11.697 7.672 8.692 138 1HE2 GLN 16 HE21 GLN 16 13.535 4.700 9.542 139 2HE2 GLN 16 HE22 GLN 16 12.494 4.235 10.800 140 H TYR 17 HN TYR 17 12.140 5.623 4.647 141 HA TYR 17 HA TYR 17 14.859 5.079 3.567 142 1HB TYR 17 HB2 TYR 17 12.175 3.747 3.368 143 2HB TYR 17 HB1 TYR 17 13.311 3.501 2.042 144 HD1 TYR 17 HD1 TYR 17 15.507 2.448 2.437 145 HD2 TYR 17 HD2 TYR 17 12.599 2.824 5.576 146 HE1 TYR 17 HE1 TYR 17 16.768 0.807 3.800 147 HE2 TYR 17 HE2 TYR 17 13.860 1.179 6.940 148 HH TYR 17 HH TYR 17 16.034 0.240 7.132 149 H SER 18 HN SER 18 11.665 6.065 2.242 150 HA SER 18 HA SER 18 12.664 6.771 -0.321 151 1HB SER 18 HB2 SER 18 10.193 6.738 0.707 152 2HB SER 18 HB1 SER 18 10.506 8.460 0.908 153 HG SER 18 HG SER 18 9.708 8.244 -1.118 154 H GLY 19 HN GLY 19 13.009 8.253 2.777 155 1HA GLY 19 HA2 GLY 19 13.996 10.804 1.604 156 2HA GLY 19 HA1 GLY 19 13.692 10.510 3.315 157 H ARG 20 HN ARG 20 15.273 7.779 2.296 158 HA ARG 20 HA ARG 20 17.709 8.433 3.643 159 1HB ARG 20 HB2 ARG 20 16.944 6.100 3.297 160 2HB ARG 20 HB1 ARG 20 17.168 6.284 1.560 161 1HG ARG 20 HG2 ARG 20 19.611 6.784 2.018 162 2HG ARG 20 HG1 ARG 20 19.314 6.356 3.701 163 1HD ARG 20 HD2 ARG 20 18.393 4.141 2.810 164 2HD ARG 20 HD1 ARG 20 19.102 4.598 1.259 165 HE ARG 20 HE ARG 20 20.916 4.676 3.592 166 1HH1 ARG 20 HH21 ARG 20 19.719 3.002 0.808 167 2HH1 ARG 20 HH22 ARG 20 21.109 1.979 0.675 168 1HH2 ARG 20 HH11 ARG 20 22.723 3.343 3.419 169 2HH2 ARG 20 HH12 ARG 20 22.799 2.163 2.152 170 H GLU 21 HN GLU 21 16.821 8.333 0.212 171 HA GLU 21 HA GLU 21 18.808 10.390 -0.404 172 1HB GLU 21 HB2 GLU 21 19.879 8.840 -2.187 173 2HB GLU 21 HB1 GLU 21 20.370 8.616 -0.507 174 1HG GLU 21 HG2 GLU 21 18.845 6.751 -0.245 175 2HG GLU 21 HG1 GLU 21 18.162 7.032 -1.847 176 H GLY 22 HN GLY 22 18.773 10.831 -2.856 177 1HA GLY 22 HA2 GLY 22 17.586 10.671 -4.978 178 2HA GLY 22 HA1 GLY 22 16.191 10.017 -4.123 179 H ASP 23 HN ASP 23 15.125 11.787 -5.431 180 HA ASP 23 HA ASP 23 15.499 14.535 -5.097 181 1HB ASP 23 HB2 ASP 23 13.816 13.614 -6.623 182 2HB ASP 23 HB1 ASP 23 12.880 13.010 -5.254 183 H LYS 24 HN LYS 24 13.279 12.512 -3.150 184 HA LYS 24 HA LYS 24 14.088 13.541 -0.635 185 1HB LYS 24 HB2 LYS 24 12.425 15.351 -2.171 186 2HB LYS 24 HB1 LYS 24 11.498 14.808 -0.780 187 1HG LYS 24 HG2 LYS 24 14.334 15.834 -0.506 188 2HG LYS 24 HG1 LYS 24 12.939 16.909 -0.461 189 1HD LYS 24 HD2 LYS 24 12.037 15.835 1.473 190 2HD LYS 24 HD1 LYS 24 13.152 14.476 1.329 191 1HE LYS 24 HE2 LYS 24 14.021 15.859 3.078 192 2HE LYS 24 HE1 LYS 24 15.043 16.166 1.674 193 1HZ LYS 24 HZ1 LYS 24 13.258 18.017 1.249 194 2HZ LYS 24 HZ2 LYS 24 14.560 18.285 2.307 195 3HZ LYS 24 HZ3 LYS 24 13.028 17.888 2.923 196 H HIS 25 HN HIS 25 11.280 12.465 -2.547 197 HA HIS 25 HA HIS 25 10.720 10.436 -0.411 198 1HB HIS 25 HB2 HIS 25 8.463 11.702 -1.950 199 2HB HIS 25 HB1 HIS 25 8.439 10.929 -0.365 200 HD2 HIS 25 HD2 HIS 25 8.601 14.453 -1.806 201 HE1 HIS 25 HE1 HIS 25 10.022 14.783 2.158 202 HE2 HIS 25 HE2 HIS 25 9.240 16.083 0.127 203 H LYS 26 HN LYS 26 12.216 9.515 -2.406 204 HA LYS 26 HA LYS 26 10.308 8.001 -4.134 205 1HB LYS 26 HB2 LYS 26 11.626 9.832 -5.362 206 2HB LYS 26 HB1 LYS 26 13.074 8.907 -4.984 207 1HG LYS 26 HG2 LYS 26 12.551 8.046 -7.090 208 2HG LYS 26 HG1 LYS 26 11.725 6.896 -6.045 209 1HD LYS 26 HD2 LYS 26 10.037 7.416 -7.576 210 2HD LYS 26 HD1 LYS 26 9.688 8.564 -6.287 211 1HE LYS 26 HE2 LYS 26 10.908 10.321 -7.489 212 2HE LYS 26 HE1 LYS 26 11.341 9.174 -8.755 213 1HZ LYS 26 HZ1 LYS 26 9.437 9.667 -9.743 214 2HZ LYS 26 HZ2 LYS 26 8.961 10.662 -8.451 215 3HZ LYS 26 HZ3 LYS 26 8.596 9.003 -8.428 216 H LEU 27 HN LEU 27 10.855 5.787 -4.316 217 HA LEU 27 HA LEU 27 12.870 4.885 -2.337 218 1HB LEU 27 HB2 LEU 27 10.322 3.948 -3.128 219 2HB LEU 27 HB1 LEU 27 11.445 2.714 -3.670 220 HG LEU 27 HG LEU 27 12.450 2.903 -1.250 221 1HD1 LEU 27 HD11 LEU 27 11.319 4.866 -0.468 222 2HD1 LEU 27 HD12 LEU 27 10.644 3.495 0.412 223 3HD1 LEU 27 HD13 LEU 27 9.746 4.217 -0.920 224 1HD2 LEU 27 HD21 LEU 27 11.418 0.887 -1.838 225 2HD2 LEU 27 HD22 LEU 27 9.836 1.632 -2.018 226 3HD2 LEU 27 HD23 LEU 27 10.528 1.399 -0.413 227 H LYS 28 HN LYS 28 14.769 4.058 -2.880 228 HA LYS 28 HA LYS 28 15.383 3.513 -5.770 229 1HB LYS 28 HB2 LYS 28 17.195 4.204 -3.440 230 2HB LYS 28 HB1 LYS 28 17.766 3.783 -5.053 231 1HG LYS 28 HG2 LYS 28 16.303 5.678 -5.927 232 2HG LYS 28 HG1 LYS 28 16.102 6.174 -4.245 233 1HD LYS 28 HD2 LYS 28 18.664 6.117 -4.091 234 2HD LYS 28 HD1 LYS 28 18.654 6.043 -5.854 235 1HE LYS 28 HE2 LYS 28 17.072 8.118 -5.686 236 2HE LYS 28 HE1 LYS 28 17.721 8.254 -4.052 237 1HZ LYS 28 HZ1 LYS 28 19.504 9.214 -4.901 238 2HZ LYS 28 HZ2 LYS 28 18.919 9.003 -6.482 239 3HZ LYS 28 HZ3 LYS 28 19.867 7.793 -5.755 240 H LYS 29 HN LYS 29 16.633 1.563 -6.249 241 HA LYS 29 HA LYS 29 15.844 -0.808 -5.031 242 1HB LYS 29 HB2 LYS 29 17.081 -0.796 -7.134 243 2HB LYS 29 HB1 LYS 29 18.526 -0.201 -6.316 244 1HG LYS 29 HG2 LYS 29 18.902 -2.244 -5.211 245 2HG LYS 29 HG1 LYS 29 17.234 -2.775 -5.417 246 1HD LYS 29 HD2 LYS 29 18.881 -3.949 -6.923 247 2HD LYS 29 HD1 LYS 29 17.570 -3.144 -7.784 248 1HE LYS 29 HE2 LYS 29 19.900 -2.774 -8.740 249 2HE LYS 29 HE1 LYS 29 18.987 -1.307 -8.393 250 1HZ LYS 29 HZ1 LYS 29 21.461 -1.716 -7.539 251 2HZ LYS 29 HZ2 LYS 29 20.604 -2.362 -6.222 252 3HZ LYS 29 HZ3 LYS 29 20.344 -0.753 -6.701 253 H SER 30 HN SER 30 18.745 1.103 -4.224 254 HA SER 30 HA SER 30 19.853 -0.485 -2.201 255 1HB SER 30 HB2 SER 30 19.557 2.519 -1.938 256 2HB SER 30 HB1 SER 30 20.849 1.505 -1.302 257 HG SER 30 HG SER 30 20.871 0.974 -3.806 258 H GLU 31 HN GLU 31 16.763 0.855 -2.276 259 HA GLU 31 HA GLU 31 16.455 0.834 0.695 260 1HB GLU 31 HB2 GLU 31 14.430 1.656 -1.402 261 2HB GLU 31 HB1 GLU 31 14.329 1.929 0.338 262 1HG GLU 31 HG2 GLU 31 16.416 3.281 0.225 263 2HG GLU 31 HG1 GLU 31 16.426 3.079 -1.526 264 H LEU 32 HN LEU 32 15.286 -0.820 -2.221 265 HA LEU 32 HA LEU 32 13.398 -2.489 -0.843 266 1HB LEU 32 HB2 LEU 32 14.763 -2.508 -3.489 267 2HB LEU 32 HB1 LEU 32 14.262 -4.086 -2.908 268 HG LEU 32 HG LEU 32 12.624 -2.728 -4.396 269 1HD1 LEU 32 HD11 LEU 32 11.747 -3.961 -1.772 270 2HD1 LEU 32 HD12 LEU 32 11.999 -4.805 -3.302 271 3HD1 LEU 32 HD13 LEU 32 10.683 -3.644 -3.143 272 1HD2 LEU 32 HD21 LEU 32 11.589 -1.526 -1.860 273 2HD2 LEU 32 HD22 LEU 32 11.464 -0.953 -3.521 274 3HD2 LEU 32 HD23 LEU 32 12.962 -0.724 -2.627 275 H LYS 33 HN LYS 33 16.695 -3.274 -1.970 276 HA LYS 33 HA LYS 33 16.942 -5.721 -0.600 277 1HB LYS 33 HB2 LYS 33 18.441 -4.497 -2.367 278 2HB LYS 33 HB1 LYS 33 19.254 -3.831 -0.955 279 1HG LYS 33 HG2 LYS 33 19.545 -6.209 -0.116 280 2HG LYS 33 HG1 LYS 33 18.939 -6.762 -1.680 281 1HD LYS 33 HD2 LYS 33 21.222 -6.740 -2.120 282 2HD LYS 33 HD1 LYS 33 20.791 -5.106 -2.628 283 1HE LYS 33 HE2 LYS 33 21.456 -4.248 -0.397 284 2HE LYS 33 HE1 LYS 33 21.901 -5.883 0.091 285 1HZ LYS 33 HZ1 LYS 33 23.889 -5.484 -0.774 286 2HZ LYS 33 HZ2 LYS 33 23.379 -4.007 -1.442 287 3HZ LYS 33 HZ3 LYS 33 23.174 -5.451 -2.312 288 H GLU 34 HN GLU 34 17.537 -2.407 0.524 289 HA GLU 34 HA GLU 34 18.571 -3.344 3.113 290 1HB GLU 34 HB2 GLU 34 17.820 -0.584 2.121 291 2HB GLU 34 HB1 GLU 34 18.506 -0.907 3.713 292 1HG GLU 34 HG2 GLU 34 20.504 -1.882 2.697 293 2HG GLU 34 HG1 GLU 34 19.822 -1.660 1.085 294 H LEU 35 HN LEU 35 15.527 -2.040 1.878 295 HA LEU 35 HA LEU 35 14.264 -1.830 4.468 296 1HB LEU 35 HB2 LEU 35 13.471 -0.564 2.495 297 2HB LEU 35 HB1 LEU 35 13.035 -2.082 1.707 298 HG LEU 35 HG LEU 35 11.432 -2.563 3.537 299 1HD1 LEU 35 HD11 LEU 35 12.218 -1.447 5.449 300 2HD1 LEU 35 HD12 LEU 35 10.872 -0.431 4.956 301 3HD1 LEU 35 HD13 LEU 35 12.522 0.050 4.571 302 1HD2 LEU 35 HD21 LEU 35 10.808 -1.311 1.443 303 2HD2 LEU 35 HD22 LEU 35 11.029 0.189 2.342 304 3HD2 LEU 35 HD23 LEU 35 9.771 -0.950 2.823 305 H ILE 36 HN ILE 36 14.649 -4.347 2.091 306 HA ILE 36 HA ILE 36 12.637 -6.112 3.215 307 HB ILE 36 HB ILE 36 14.829 -6.409 1.156 308 1HG1 ILE 36 HG12 ILE 36 11.818 -6.649 0.906 309 2HG1 ILE 36 HG11 ILE 36 12.688 -5.131 0.690 310 1HG2 ILE 36 HG21 ILE 36 13.553 -8.654 0.686 311 2HG2 ILE 36 HG22 ILE 36 13.078 -8.528 2.381 312 3HG2 ILE 36 HG23 ILE 36 14.784 -8.610 1.946 313 1HD1 ILE 36 HD11 ILE 36 12.278 -6.295 -1.473 314 2HD1 ILE 36 HD12 ILE 36 13.220 -7.666 -0.887 315 3HD1 ILE 36 HD13 ILE 36 13.999 -6.102 -1.134 316 H ASN 37 HN ASN 37 16.175 -5.888 3.409 317 HA ASN 37 HA ASN 37 16.374 -8.266 5.091 318 1HB ASN 37 HB2 ASN 37 18.141 -7.481 3.468 319 2HB ASN 37 HB1 ASN 37 18.499 -6.175 4.599 320 1HD2 ASN 37 HD21 ASN 37 17.533 -8.611 6.587 321 2HD2 ASN 37 HD22 ASN 37 19.025 -9.362 6.886 322 H ASN 38 HN ASN 38 16.161 -4.805 5.711 323 HA ASN 38 HA ASN 38 17.035 -5.187 8.516 324 1HB ASN 38 HB2 ASN 38 17.242 -2.884 8.658 325 2HB ASN 38 HB1 ASN 38 17.462 -3.116 6.927 326 1HD2 ASN 38 HD21 ASN 38 16.046 -0.982 8.880 327 2HD2 ASN 38 HD22 ASN 38 14.633 -0.620 8.015 328 H GLU 39 HN GLU 39 13.978 -4.292 6.872 329 HA GLU 39 HA GLU 39 12.578 -4.484 9.511 330 1HB GLU 39 HB2 GLU 39 11.847 -3.289 6.836 331 2HB GLU 39 HB1 GLU 39 10.636 -3.549 8.091 332 1HG GLU 39 HG2 GLU 39 13.205 -2.069 8.675 333 2HG GLU 39 HG1 GLU 39 11.797 -1.235 8.019 334 H LEU 40 HN LEU 40 11.872 -5.457 6.134 335 HA LEU 40 HA LEU 40 10.055 -7.535 7.087 336 1HB LEU 40 HB2 LEU 40 11.068 -7.484 4.257 337 2HB LEU 40 HB1 LEU 40 9.448 -7.825 4.853 338 HG LEU 40 HG LEU 40 10.774 -5.091 4.793 339 1HD1 LEU 40 HD11 LEU 40 8.633 -6.363 3.077 340 2HD1 LEU 40 HD12 LEU 40 10.229 -5.816 2.562 341 3HD1 LEU 40 HD13 LEU 40 9.013 -4.641 3.062 342 1HD2 LEU 40 HD21 LEU 40 7.938 -4.899 5.117 343 2HD2 LEU 40 HD22 LEU 40 9.189 -4.439 6.271 344 3HD2 LEU 40 HD23 LEU 40 8.503 -6.057 6.318 345 H SER 41 HN SER 41 12.790 -7.794 8.043 346 HA SER 41 HA SER 41 13.953 -10.027 6.517 347 1HB SER 41 HB2 SER 41 15.861 -9.350 7.556 348 2HB SER 41 HB1 SER 41 14.923 -8.076 8.330 349 HG SER 41 HG SER 41 14.713 -9.290 10.105 350 H HIS 42 HN HIS 42 11.718 -9.628 9.131 351 HA HIS 42 HA HIS 42 12.188 -12.408 10.108 352 1HB HIS 42 HB2 HIS 42 10.354 -10.220 11.133 353 2HB HIS 42 HB1 HIS 42 10.578 -11.799 11.885 354 HD1 HIS 42 HD1 HIS 42 13.748 -10.810 10.543 355 HD2 HIS 42 HD2 HIS 42 11.626 -9.851 14.003 356 HE1 HIS 42 HE1 HIS 42 15.432 -9.841 12.171 357 HE2 HIS 42 HE2 HIS 42 14.151 -9.254 14.281 358 H PHE 43 HN PHE 43 10.103 -10.585 8.053 359 HA PHE 43 HA PHE 43 8.114 -12.838 7.989 360 1HB PHE 43 HB2 PHE 43 7.855 -9.881 7.399 361 2HB PHE 43 HB1 PHE 43 6.649 -11.054 6.864 362 HD1 PHE 43 HD1 PHE 43 5.032 -11.920 8.373 363 HD2 PHE 43 HD2 PHE 43 8.426 -9.766 9.882 364 HE1 PHE 43 HE1 PHE 43 4.035 -11.943 10.645 365 HE2 PHE 43 HE2 PHE 43 7.429 -9.784 12.153 366 HZ PHE 43 HZ PHE 43 5.232 -10.873 12.535 367 H LEU 44 HN LEU 44 10.105 -10.666 6.008 368 HA LEU 44 HA LEU 44 9.545 -12.413 3.632 369 1HB LEU 44 HB2 LEU 44 9.087 -9.855 3.554 370 2HB LEU 44 HB1 LEU 44 10.837 -9.685 3.537 371 HG LEU 44 HG LEU 44 10.898 -11.235 1.548 372 1HD1 LEU 44 HD11 LEU 44 7.926 -11.067 1.963 373 2HD1 LEU 44 HD12 LEU 44 8.910 -12.429 1.430 374 3HD1 LEU 44 HD13 LEU 44 8.535 -11.128 0.308 375 1HD2 LEU 44 HD21 LEU 44 9.923 -9.446 -0.017 376 2HD2 LEU 44 HD22 LEU 44 11.152 -8.903 1.124 377 3HD2 LEU 44 HD23 LEU 44 9.448 -8.581 1.445 378 H GLU 45 HN GLU 45 11.227 -13.647 2.909 379 HA GLU 45 HA GLU 45 13.585 -14.029 4.374 380 1HB GLU 45 HB2 GLU 45 14.476 -15.159 2.371 381 2HB GLU 45 HB1 GLU 45 12.791 -15.604 2.646 382 1HG GLU 45 HG2 GLU 45 12.162 -13.734 1.036 383 2HG GLU 45 HG1 GLU 45 13.874 -13.632 0.623 384 H GLU 46 HN GLU 46 15.547 -12.998 4.451 385 HA GLU 46 HA GLU 46 15.780 -10.365 3.258 386 1HB GLU 46 HB2 GLU 46 18.238 -10.668 4.142 387 2HB GLU 46 HB1 GLU 46 16.919 -10.536 5.303 388 1HG GLU 46 HG2 GLU 46 16.879 -12.881 5.693 389 2HG GLU 46 HG1 GLU 46 17.871 -13.213 4.275 390 H ILE 47 HN ILE 47 15.930 -10.363 1.035 391 HA ILE 47 HA ILE 47 17.231 -12.390 -0.498 392 HB ILE 47 HB ILE 47 17.190 -10.699 -2.353 393 1HG1 ILE 47 HG12 ILE 47 15.893 -8.900 -0.285 394 2HG1 ILE 47 HG11 ILE 47 17.557 -8.712 -0.835 395 1HG2 ILE 47 HG21 ILE 47 14.726 -10.509 -2.421 396 2HG2 ILE 47 HG22 ILE 47 14.654 -10.961 -0.716 397 3HG2 ILE 47 HG23 ILE 47 15.240 -12.119 -1.910 398 1HD1 ILE 47 HD11 ILE 47 15.124 -8.669 -2.643 399 2HD1 ILE 47 HD12 ILE 47 16.795 -8.417 -3.145 400 3HD1 ILE 47 HD13 ILE 47 16.003 -7.241 -2.098 401 H LYS 48 HN LYS 48 19.307 -12.571 -1.258 402 HA LYS 48 HA LYS 48 21.337 -10.650 -0.159 403 1HB LYS 48 HB2 LYS 48 21.489 -13.576 -0.936 404 2HB LYS 48 HB1 LYS 48 22.927 -12.592 -0.670 405 1HG LYS 48 HG2 LYS 48 22.355 -12.189 1.608 406 2HG LYS 48 HG1 LYS 48 20.718 -12.809 1.382 407 1HD LYS 48 HD2 LYS 48 21.538 -15.057 1.059 408 2HD LYS 48 HD1 LYS 48 23.211 -14.495 1.039 409 1HE LYS 48 HE2 LYS 48 22.796 -13.607 3.402 410 2HE LYS 48 HE1 LYS 48 21.298 -14.537 3.379 411 1HZ LYS 48 HZ1 LYS 48 22.464 -16.319 3.915 412 2HZ LYS 48 HZ2 LYS 48 23.915 -15.439 3.859 413 3HZ LYS 48 HZ3 LYS 48 23.325 -16.201 2.459 414 H GLU 49 HN GLU 49 19.819 -11.904 -2.940 415 HA GLU 49 HA GLU 49 21.872 -10.687 -4.757 416 1HB GLU 49 HB2 GLU 49 19.751 -12.778 -5.359 417 2HB GLU 49 HB1 GLU 49 20.932 -12.148 -6.506 418 1HG GLU 49 HG2 GLU 49 22.757 -12.989 -5.012 419 2HG GLU 49 HG1 GLU 49 21.525 -13.727 -3.986 420 H GLN 50 HN GLN 50 21.094 -9.252 -6.369 421 HA GLN 50 HA GLN 50 18.582 -7.893 -5.670 422 1HB GLN 50 HB2 GLN 50 20.545 -7.346 -7.921 423 2HB GLN 50 HB1 GLN 50 19.266 -6.265 -7.372 424 1HG GLN 50 HG2 GLN 50 20.353 -6.269 -5.093 425 2HG GLN 50 HG1 GLN 50 21.702 -7.152 -5.808 426 1HE2 GLN 50 HE21 GLN 50 20.855 -5.393 -8.368 427 2HE2 GLN 50 HE22 GLN 50 21.726 -3.963 -8.097 428 H GLU 51 HN GLU 51 19.675 -10.267 -7.922 429 HA GLU 51 HA GLU 51 18.187 -10.002 -10.166 430 1HB GLU 51 HB2 GLU 51 18.535 -12.530 -8.553 431 2HB GLU 51 HB1 GLU 51 17.984 -12.492 -10.229 432 1HG GLU 51 HG2 GLU 51 20.065 -11.473 -10.948 433 2HG GLU 51 HG1 GLU 51 20.607 -11.310 -9.277 434 H VAL 52 HN VAL 52 16.804 -11.252 -7.109 435 HA VAL 52 HA VAL 52 14.195 -11.512 -8.355 436 HB VAL 52 HB VAL 52 13.368 -11.795 -6.017 437 1HG1 VAL 52 HG11 VAL 52 15.923 -13.367 -6.399 438 2HG1 VAL 52 HG12 VAL 52 14.485 -13.659 -7.377 439 3HG1 VAL 52 HG13 VAL 52 14.426 -13.895 -5.631 440 1HG2 VAL 52 HG21 VAL 52 15.214 -11.902 -4.245 441 2HG2 VAL 52 HG22 VAL 52 14.760 -10.288 -4.791 442 3HG2 VAL 52 HG23 VAL 52 16.235 -11.043 -5.400 443 H VAL 53 HN VAL 53 15.886 -9.099 -6.467 444 HA VAL 53 HA VAL 53 13.628 -7.341 -6.206 445 HB VAL 53 HB VAL 53 16.305 -7.404 -5.309 446 1HG1 VAL 53 HG11 VAL 53 15.867 -4.824 -6.843 447 2HG1 VAL 53 HG12 VAL 53 16.941 -6.116 -7.375 448 3HG1 VAL 53 HG13 VAL 53 17.272 -5.258 -5.873 449 1HG2 VAL 53 HG21 VAL 53 14.371 -5.104 -5.000 450 2HG2 VAL 53 HG22 VAL 53 15.682 -5.560 -3.908 451 3HG2 VAL 53 HG23 VAL 53 14.279 -6.613 -4.087 452 H ASP 54 HN ASP 54 15.792 -8.167 -8.753 453 HA ASP 54 HA ASP 54 15.198 -5.798 -10.380 454 1HB ASP 54 HB2 ASP 54 17.292 -7.194 -10.658 455 2HB ASP 54 HB1 ASP 54 16.272 -8.489 -11.286 456 H LYS 55 HN LYS 55 14.020 -9.049 -9.878 457 HA LYS 55 HA LYS 55 12.117 -8.931 -12.103 458 1HB LYS 55 HB2 LYS 55 12.929 -11.107 -11.505 459 2HB LYS 55 HB1 LYS 55 12.520 -10.866 -9.811 460 1HG LYS 55 HG2 LYS 55 10.220 -10.570 -11.682 461 2HG LYS 55 HG1 LYS 55 10.905 -12.190 -11.617 462 1HD LYS 55 HD2 LYS 55 10.459 -12.428 -9.314 463 2HD LYS 55 HD1 LYS 55 10.270 -10.694 -9.076 464 1HE LYS 55 HE2 LYS 55 8.141 -10.660 -10.063 465 2HE LYS 55 HE1 LYS 55 8.398 -12.189 -10.905 466 1HZ LYS 55 HZ1 LYS 55 7.324 -13.115 -9.213 467 2HZ LYS 55 HZ2 LYS 55 7.417 -11.709 -8.262 468 3HZ LYS 55 HZ3 LYS 55 8.705 -12.818 -8.274 469 H VAL 56 HN VAL 56 11.853 -8.811 -8.497 470 HA VAL 56 HA VAL 56 9.085 -8.445 -8.344 471 HB VAL 56 HB VAL 56 10.998 -8.539 -6.477 472 1HG1 VAL 56 HG11 VAL 56 11.458 -6.439 -5.413 473 2HG1 VAL 56 HG12 VAL 56 10.326 -5.585 -6.460 474 3HG1 VAL 56 HG13 VAL 56 11.828 -6.223 -7.122 475 1HG2 VAL 56 HG21 VAL 56 8.268 -7.261 -6.321 476 2HG2 VAL 56 HG22 VAL 56 9.256 -7.466 -4.873 477 3HG2 VAL 56 HG23 VAL 56 8.760 -8.874 -5.810 478 H MET 57 HN MET 57 11.609 -6.010 -8.937 479 HA MET 57 HA MET 57 9.908 -3.730 -9.037 480 1HB MET 57 HB2 MET 57 12.513 -4.418 -10.401 481 2HB MET 57 HB1 MET 57 11.703 -2.885 -10.721 482 1HG MET 57 HG2 MET 57 11.711 -2.379 -8.302 483 2HG MET 57 HG1 MET 57 12.549 -3.899 -7.992 484 1HE MET 57 HE1 MET 57 13.052 -0.321 -8.096 485 2HE MET 57 HE2 MET 57 14.784 -0.448 -7.773 486 3HE MET 57 HE3 MET 57 13.652 -1.437 -6.853 487 H GLU 58 HN GLU 58 10.682 -6.159 -11.486 488 HA GLU 58 HA GLU 58 9.436 -4.900 -13.712 489 1HB GLU 58 HB2 GLU 58 10.866 -7.011 -13.739 490 2HB GLU 58 HB1 GLU 58 9.436 -7.879 -13.179 491 1HG GLU 58 HG2 GLU 58 8.181 -7.051 -15.158 492 2HG GLU 58 HG1 GLU 58 9.645 -6.251 -15.730 493 H THR 59 HN THR 59 8.108 -6.818 -11.065 494 HA THR 59 HA THR 59 5.419 -6.786 -12.264 495 HB THR 59 HB THR 59 6.244 -7.696 -9.499 496 HG1 THR 59 HG1 THR 59 7.335 -9.031 -10.767 497 1HG2 THR 59 HG21 THR 59 3.858 -8.311 -11.259 498 2HG2 THR 59 HG22 THR 59 3.840 -7.313 -9.805 499 3HG2 THR 59 HG23 THR 59 4.176 -9.041 -9.686 500 H LEU 60 HN LEU 60 7.201 -5.113 -9.699 501 HA LEU 60 HA LEU 60 4.738 -3.646 -8.926 502 1HB LEU 60 HB2 LEU 60 7.478 -3.956 -7.760 503 2HB LEU 60 HB1 LEU 60 6.586 -2.488 -7.365 504 HG LEU 60 HG LEU 60 6.231 -4.311 -5.713 505 1HD1 LEU 60 HD11 LEU 60 4.373 -2.557 -6.612 506 2HD1 LEU 60 HD12 LEU 60 4.027 -3.732 -5.350 507 3HD1 LEU 60 HD13 LEU 60 3.538 -4.060 -7.008 508 1HD2 LEU 60 HD21 LEU 60 5.229 -6.372 -6.272 509 2HD2 LEU 60 HD22 LEU 60 6.358 -6.103 -7.598 510 3HD2 LEU 60 HD23 LEU 60 4.640 -5.768 -7.820 511 H ASP 61 HN ASP 61 8.022 -2.782 -10.254 512 HA ASP 61 HA ASP 61 7.503 -0.018 -10.492 513 1HB ASP 61 HB2 ASP 61 9.636 -1.500 -10.993 514 2HB ASP 61 HB1 ASP 61 9.003 -1.494 -12.639 515 H GLU 62 HN GLU 62 5.705 0.750 -11.319 516 HA GLU 62 HA GLU 62 4.339 -0.579 -13.548 517 1HB GLU 62 HB2 GLU 62 3.027 0.436 -11.709 518 2HB GLU 62 HB1 GLU 62 3.697 2.015 -12.117 519 1HG GLU 62 HG2 GLU 62 2.666 1.939 -14.318 520 2HG GLU 62 HG1 GLU 62 2.101 0.291 -14.033 521 H ASP 63 HN ASP 63 5.835 2.581 -12.948 522 HA ASP 63 HA ASP 63 5.693 3.285 -15.774 523 1HB ASP 63 HB2 ASP 63 7.401 5.092 -14.939 524 2HB ASP 63 HB1 ASP 63 5.734 5.180 -14.368 525 H GLY 64 HN GLY 64 7.432 1.045 -14.060 526 1HA GLY 64 HA2 GLY 64 9.449 -0.091 -14.493 527 2HA GLY 64 HA1 GLY 64 9.197 0.395 -16.175 528 H ASP 65 HN ASP 65 9.759 2.356 -13.257 529 HA ASP 65 HA ASP 65 11.867 3.836 -14.770 530 1HB ASP 65 HB2 ASP 65 11.740 5.458 -12.930 531 2HB ASP 65 HB1 ASP 65 10.124 5.121 -13.555 532 H GLY 66 HN GLY 66 11.678 1.215 -12.695 533 1HA GLY 66 HA2 GLY 66 13.532 -0.021 -11.833 534 2HA GLY 66 HA1 GLY 66 14.587 1.353 -12.185 535 H GLU 67 HN GLU 67 11.951 2.626 -10.756 536 HA GLU 67 HA GLU 67 12.946 2.267 -7.952 537 1HB GLU 67 HB2 GLU 67 12.217 4.862 -9.348 538 2HB GLU 67 HB1 GLU 67 12.422 4.708 -7.605 539 1HG GLU 67 HG2 GLU 67 14.533 5.460 -8.368 540 2HG GLU 67 HG1 GLU 67 14.752 3.724 -8.151 541 H CYS 68 HN CYS 68 11.209 2.845 -6.366 542 HA CYS 68 HA CYS 68 8.491 2.266 -7.519 543 1HB CYS 68 HB2 CYS 68 9.476 1.635 -4.731 544 2HB CYS 68 HB1 CYS 68 7.982 1.088 -5.491 545 HG CYS 68 HG CYS 68 10.370 -0.511 -5.632 546 H ASP 69 HN ASP 69 7.639 4.375 -7.672 547 HA ASP 69 HA ASP 69 7.962 6.490 -5.856 548 1HB ASP 69 HB2 ASP 69 6.652 6.424 -8.095 549 2HB ASP 69 HB1 ASP 69 5.286 5.873 -7.125 550 H PHE 70 HN PHE 70 5.726 7.207 -4.491 551 HA PHE 70 HA PHE 70 5.673 5.280 -2.331 552 1HB PHE 70 HB2 PHE 70 3.745 6.994 -1.577 553 2HB PHE 70 HB1 PHE 70 5.454 7.395 -1.446 554 HD1 PHE 70 HD1 PHE 70 6.270 9.326 -2.494 555 HD2 PHE 70 HD2 PHE 70 2.588 7.587 -3.854 556 HE1 PHE 70 HE1 PHE 70 5.949 11.228 -4.053 557 HE2 PHE 70 HE2 PHE 70 2.264 9.488 -5.413 558 HZ PHE 70 HZ PHE 70 3.945 11.312 -5.511 559 H GLN 71 HN GLN 71 3.500 5.964 -5.009 560 HA GLN 71 HA GLN 71 1.244 4.622 -3.849 561 1HB GLN 71 HB2 GLN 71 0.362 4.613 -6.252 562 2HB GLN 71 HB1 GLN 71 0.658 6.177 -5.507 563 1HG GLN 71 HG2 GLN 71 1.559 6.306 -7.715 564 2HG GLN 71 HG1 GLN 71 2.946 6.147 -6.647 565 1HE2 GLN 71 HE21 GLN 71 0.653 3.671 -7.926 566 2HE2 GLN 71 HE22 GLN 71 1.860 2.701 -8.618 567 H GLU 72 HN GLU 72 3.806 3.476 -6.076 568 HA GLU 72 HA GLU 72 2.483 0.820 -6.115 569 1HB GLU 72 HB2 GLU 72 4.071 0.197 -7.768 570 2HB GLU 72 HB1 GLU 72 3.585 1.846 -8.154 571 1HG GLU 72 HG2 GLU 72 5.709 2.417 -6.582 572 2HG GLU 72 HG1 GLU 72 6.219 0.823 -7.143 573 H PHE 73 HN PHE 73 5.230 2.486 -4.689 574 HA PHE 73 HA PHE 73 6.642 0.299 -3.648 575 1HB PHE 73 HB2 PHE 73 7.554 2.492 -3.344 576 2HB PHE 73 HB1 PHE 73 6.087 3.046 -2.552 577 HD1 PHE 73 HD1 PHE 73 7.281 3.925 -0.666 578 HD2 PHE 73 HD2 PHE 73 7.567 -0.248 -1.665 579 HE1 PHE 73 HE1 PHE 73 8.294 3.461 1.539 580 HE2 PHE 73 HE2 PHE 73 8.570 -0.704 0.548 581 HZ PHE 73 HZ PHE 73 8.946 1.159 2.141 582 H MET 74 HN MET 74 3.816 1.994 -2.270 583 HA MET 74 HA MET 74 3.626 0.304 0.024 584 1HB MET 74 HB2 MET 74 2.254 2.499 -0.849 585 2HB MET 74 HB1 MET 74 1.073 1.251 -1.231 586 1HG MET 74 HG2 MET 74 1.711 0.480 1.292 587 2HG MET 74 HG1 MET 74 2.039 2.204 1.434 588 1HE MET 74 HE1 MET 74 0.564 1.883 3.252 589 2HE MET 74 HE2 MET 74 -1.195 1.926 3.227 590 3HE MET 74 HE3 MET 74 -0.279 3.372 2.802 591 H ALA 75 HN ALA 75 2.282 0.133 -3.233 592 HA ALA 75 HA ALA 75 0.777 -2.249 -2.985 593 1HB ALA 75 HB1 ALA 75 2.509 -1.801 -5.416 594 2HB ALA 75 HB2 ALA 75 1.116 -0.770 -5.090 595 3HB ALA 75 HB3 ALA 75 0.897 -2.503 -5.329 596 H PHE 76 HN PHE 76 4.210 -1.876 -2.778 597 HA PHE 76 HA PHE 76 4.829 -4.666 -3.369 598 1HB PHE 76 HB2 PHE 76 6.658 -3.085 -3.537 599 2HB PHE 76 HB1 PHE 76 6.398 -2.540 -1.888 600 HD1 PHE 76 HD1 PHE 76 8.046 -3.254 -0.407 601 HD2 PHE 76 HD2 PHE 76 6.776 -5.897 -3.553 602 HE1 PHE 76 HE1 PHE 76 9.599 -4.991 0.425 603 HE2 PHE 76 HE2 PHE 76 8.331 -7.634 -2.714 604 HZ PHE 76 HZ PHE 76 9.743 -7.182 -0.726 605 H VAL 77 HN VAL 77 4.543 -2.797 -0.339 606 HA VAL 77 HA VAL 77 4.797 -4.950 1.476 607 HB VAL 77 HB VAL 77 2.912 -2.579 1.672 608 1HG1 VAL 77 HG11 VAL 77 2.354 -4.200 3.346 609 2HG1 VAL 77 HG12 VAL 77 3.320 -2.964 4.151 610 3HG1 VAL 77 HG13 VAL 77 4.052 -4.503 3.703 611 1HG2 VAL 77 HG21 VAL 77 5.807 -2.929 2.497 612 2HG2 VAL 77 HG22 VAL 77 4.791 -1.569 2.974 613 3HG2 VAL 77 HG23 VAL 77 5.185 -1.818 1.275 614 H SER 78 HN SER 78 2.075 -3.868 -0.450 615 HA SER 78 HA SER 78 0.057 -5.543 0.691 616 1HB SER 78 HB2 SER 78 -0.227 -3.561 -0.902 617 2HB SER 78 HB1 SER 78 0.215 -4.658 -2.191 618 HG SER 78 HG SER 78 -2.036 -4.609 -1.912 619 H MET 79 HN MET 79 2.545 -5.996 -1.712 620 HA MET 79 HA MET 79 1.515 -8.517 -2.697 621 1HB MET 79 HB2 MET 79 3.054 -6.979 -3.982 622 2HB MET 79 HB1 MET 79 4.345 -7.462 -2.883 623 1HG MET 79 HG2 MET 79 3.611 -9.912 -3.571 624 2HG MET 79 HG1 MET 79 2.935 -9.088 -4.977 625 1HE MET 79 HE1 MET 79 4.431 -8.747 -7.127 626 2HE MET 79 HE2 MET 79 4.227 -10.371 -6.473 627 3HE MET 79 HE3 MET 79 5.804 -9.861 -7.071 628 H VAL 80 HN VAL 80 3.710 -7.527 -0.150 629 HA VAL 80 HA VAL 80 4.460 -10.332 0.366 630 HB VAL 80 HB VAL 80 6.154 -9.536 1.726 631 1HG1 VAL 80 HG11 VAL 80 6.153 -8.266 -0.518 632 2HG1 VAL 80 HG12 VAL 80 7.176 -7.644 0.778 633 3HG1 VAL 80 HG13 VAL 80 5.632 -6.871 0.425 634 1HG2 VAL 80 HG21 VAL 80 4.856 -8.625 3.520 635 2HG2 VAL 80 HG22 VAL 80 4.279 -7.297 2.521 636 3HG2 VAL 80 HG23 VAL 80 5.968 -7.352 3.020 637 H THR 81 HN THR 81 2.337 -7.761 1.509 638 HA THR 81 HA THR 81 1.536 -9.193 3.899 639 HB THR 81 HB THR 81 -0.060 -7.117 2.375 640 HG1 THR 81 HG1 THR 81 1.115 -5.596 3.338 641 1HG2 THR 81 HG21 THR 81 -0.733 -6.575 4.808 642 2HG2 THR 81 HG22 THR 81 -0.073 -8.161 5.203 643 3HG2 THR 81 HG23 THR 81 -1.418 -8.024 4.073 644 H THR 82 HN THR 82 0.393 -8.998 0.503 645 HA THR 82 HA THR 82 -2.041 -10.438 0.959 646 HB THR 82 HB THR 82 -1.759 -10.942 -1.557 647 HG1 THR 82 HG1 THR 82 0.455 -9.257 -1.043 648 1HG2 THR 82 HG21 THR 82 -1.829 -8.299 -1.973 649 2HG2 THR 82 HG22 THR 82 -2.004 -8.267 -0.220 650 3HG2 THR 82 HG23 THR 82 -3.175 -9.140 -1.208 651 H ALA 83 HN ALA 83 1.278 -11.575 0.151 652 HA ALA 83 HA ALA 83 0.515 -14.295 -0.276 653 1HB ALA 83 HB1 ALA 83 2.743 -13.255 -0.879 654 2HB ALA 83 HB2 ALA 83 2.866 -14.802 -0.040 655 3HB ALA 83 HB3 ALA 83 3.154 -13.297 0.835 656 H CYS 84 HN CYS 84 1.466 -12.468 2.616 657 HA CYS 84 HA CYS 84 1.470 -14.729 4.398 658 1HB CYS 84 HB2 CYS 84 0.850 -11.828 5.043 659 2HB CYS 84 HB1 CYS 84 1.342 -13.070 6.195 660 HG CYS 84 HG CYS 84 3.222 -11.987 3.938 661 H HIS 85 HN HIS 85 -1.041 -12.829 2.958 662 HA HIS 85 HA HIS 85 -3.107 -13.886 4.816 663 1HB HIS 85 HB2 HIS 85 -3.447 -11.585 4.299 664 2HB HIS 85 HB1 HIS 85 -3.118 -11.838 2.587 665 HD1 HIS 85 HD1 HIS 85 -5.358 -11.129 1.630 666 HD2 HIS 85 HD2 HIS 85 -5.750 -14.004 4.623 667 HE1 HIS 85 HE1 HIS 85 -7.781 -11.871 1.599 668 H GLU 86 HN GLU 86 -1.985 -14.166 1.470 669 HA GLU 86 HA GLU 86 -4.195 -15.859 0.638 670 1HB GLU 86 HB2 GLU 86 -2.837 -14.507 -0.961 671 2HB GLU 86 HB1 GLU 86 -1.456 -15.552 -0.622 672 1HG GLU 86 HG2 GLU 86 -2.657 -17.498 -1.454 673 2HG GLU 86 HG1 GLU 86 -4.124 -16.542 -1.665 674 H PHE 87 HN PHE 87 -0.792 -16.478 1.497 675 HA PHE 87 HA PHE 87 -0.761 -19.267 1.165 676 1HB PHE 87 HB2 PHE 87 1.261 -18.036 1.742 677 2HB PHE 87 HB1 PHE 87 0.581 -17.592 3.307 678 HD1 PHE 87 HD1 PHE 87 1.810 -20.423 1.247 679 HD2 PHE 87 HD2 PHE 87 0.558 -19.135 5.148 680 HE1 PHE 87 HE1 PHE 87 2.666 -22.537 2.220 681 HE2 PHE 87 HE2 PHE 87 1.413 -21.247 6.120 682 HZ PHE 87 HZ PHE 87 2.469 -22.950 4.658 683 H PHE 88 HN PHE 88 -1.811 -17.379 3.996 684 HA PHE 88 HA PHE 88 -2.451 -19.550 5.700 685 1HB PHE 88 HB2 PHE 88 -2.418 -17.147 6.380 686 2HB PHE 88 HB1 PHE 88 -3.913 -16.902 5.479 687 HD1 PHE 88 HD1 PHE 88 -6.025 -17.603 6.353 688 HD2 PHE 88 HD2 PHE 88 -2.384 -18.709 8.342 689 HE1 PHE 88 HE1 PHE 88 -7.333 -18.394 8.304 690 HE2 PHE 88 HE2 PHE 88 -3.692 -19.504 10.294 691 HZ PHE 88 HZ PHE 88 -6.167 -19.347 10.274 692 H GLU 89 HN GLU 89 -3.882 -18.661 2.736 693 HA GLU 89 HA GLU 89 -6.446 -20.069 3.399 694 1HB GLU 89 HB2 GLU 89 -5.675 -18.207 1.135 695 2HB GLU 89 HB1 GLU 89 -7.194 -19.100 1.184 696 1HG GLU 89 HG2 GLU 89 -7.870 -17.996 3.216 697 2HG GLU 89 HG1 GLU 89 -6.279 -17.258 3.407 698 H HIS 90 HN HIS 90 -3.451 -20.486 1.780 699 HA HIS 90 HA HIS 90 -4.197 -22.163 -0.388 700 1HB HIS 90 HB2 HIS 90 -1.737 -22.006 1.357 701 2HB HIS 90 HB1 HIS 90 -1.875 -23.261 0.127 702 HD1 HIS 90 HD1 HIS 90 0.041 -22.156 -1.278 703 HD2 HIS 90 HD2 HIS 90 -3.309 -19.727 -0.753 704 HE1 HIS 90 HE1 HIS 90 0.276 -20.244 -2.926 705 HE2 HIS 90 HE2 HIS 90 -1.756 -18.759 -2.611 706 H GLU 91 HN GLU 91 -5.732 -23.728 0.008 707 HA GLU 91 HA GLU 91 -5.795 -25.313 2.429 708 1HB GLU 91 HB2 GLU 91 -7.076 -25.986 -0.232 709 2HB GLU 91 HB1 GLU 91 -7.578 -26.541 1.365 710 1HG GLU 91 HG2 GLU 91 -7.910 -24.066 1.950 711 2HG GLU 91 HG1 GLU 91 -7.763 -23.748 0.221 712 1H MET 0 HT1 MET 0 9.991 -0.209 15.814 713 2H MET 0 HT2 MET 0 10.340 -0.658 17.415 714 3H MET 0 HT3 MET 0 8.838 -1.053 16.729 715 HA MET 0 HA MET 0 11.492 -2.208 16.140 716 1HB MET 0 HB2 MET 0 9.887 -3.093 17.951 717 2HB MET 0 HB1 MET 0 8.844 -3.587 16.620 718 1HG MET 0 HG2 MET 0 10.214 -5.485 17.138 719 2HG MET 0 HG1 MET 0 10.867 -4.800 15.650 720 1HE MET 0 HE1 MET 0 11.993 -6.139 19.136 721 2HE MET 0 HE2 MET 0 10.824 -4.836 19.337 722 3HE MET 0 HE3 MET 0 12.480 -4.618 19.896 723 H SER 1 HN SER 1 9.137 -4.170 14.965 724 HA SER 1 HA SER 1 9.775 -3.466 12.201 725 1HB SER 1 HB2 SER 1 8.127 -5.360 11.720 726 2HB SER 1 HB1 SER 1 9.573 -5.796 12.625 727 HG SER 1 HG SER 1 8.220 -5.387 14.542 728 H GLU 2 HN GLU 2 8.845 -1.310 12.289 729 HA GLU 2 HA GLU 2 6.125 -0.692 12.801 730 1HB GLU 2 HB2 GLU 2 8.147 0.531 10.920 731 2HB GLU 2 HB1 GLU 2 6.512 1.181 11.069 732 1HG GLU 2 HG2 GLU 2 6.851 1.460 13.501 733 2HG GLU 2 HG1 GLU 2 8.491 0.831 13.339 734 H LEU 3 HN LEU 3 7.649 -2.096 9.952 735 HA LEU 3 HA LEU 3 5.297 -1.837 8.281 736 1HB LEU 3 HB2 LEU 3 7.991 -3.065 8.083 737 2HB LEU 3 HB1 LEU 3 6.762 -3.891 7.135 738 HG LEU 3 HG LEU 3 7.000 -0.891 7.004 739 1HD1 LEU 3 HD11 LEU 3 8.435 -2.645 5.030 740 2HD1 LEU 3 HD12 LEU 3 9.256 -2.067 6.481 741 3HD1 LEU 3 HD13 LEU 3 8.613 -0.920 5.311 742 1HD2 LEU 3 HD21 LEU 3 6.243 -2.771 4.782 743 2HD2 LEU 3 HD22 LEU 3 5.775 -1.088 5.022 744 3HD2 LEU 3 HD23 LEU 3 5.067 -2.348 6.026 745 H GLU 4 HN GLU 4 6.255 -4.115 10.732 746 HA GLU 4 HA GLU 4 4.511 -6.249 9.801 747 1HB GLU 4 HB2 GLU 4 6.407 -6.816 11.213 748 2HB GLU 4 HB1 GLU 4 5.830 -5.742 12.486 749 1HG GLU 4 HG2 GLU 4 5.308 -8.138 12.936 750 2HG GLU 4 HG1 GLU 4 3.854 -7.149 12.820 751 H LYS 5 HN LYS 5 4.239 -3.509 12.010 752 HA LYS 5 HA LYS 5 1.690 -4.286 13.129 753 1HB LYS 5 HB2 LYS 5 3.320 -1.760 13.011 754 2HB LYS 5 HB1 LYS 5 1.629 -1.640 13.501 755 1HG LYS 5 HG2 LYS 5 1.951 -2.910 15.430 756 2HG LYS 5 HG1 LYS 5 3.369 -3.731 14.787 757 1HD LYS 5 HD2 LYS 5 3.508 -0.756 15.235 758 2HD LYS 5 HD1 LYS 5 3.629 -1.827 16.628 759 1HE LYS 5 HE2 LYS 5 5.629 -2.786 15.894 760 2HE LYS 5 HE1 LYS 5 5.324 -2.384 14.204 761 1HZ LYS 5 HZ1 LYS 5 5.433 0.039 15.141 762 2HZ LYS 5 HZ2 LYS 5 6.852 -0.805 14.740 763 3HZ LYS 5 HZ3 LYS 5 6.357 -0.692 16.362 764 H ALA 6 HN ALA 6 2.649 -2.124 10.475 765 HA ALA 6 HA ALA 6 0.058 -1.289 9.706 766 1HB ALA 6 HB1 ALA 6 1.731 -0.109 8.593 767 2HB ALA 6 HB2 ALA 6 1.297 -1.255 7.328 768 3HB ALA 6 HB3 ALA 6 2.710 -1.551 8.337 769 H MET 7 HN MET 7 1.998 -3.981 8.409 770 HA MET 7 HA MET 7 0.131 -5.082 6.652 771 1HB MET 7 HB2 MET 7 2.022 -6.559 8.514 772 2HB MET 7 HB1 MET 7 1.223 -7.278 7.116 773 1HG MET 7 HG2 MET 7 2.549 -6.130 5.599 774 2HG MET 7 HG1 MET 7 2.798 -4.761 6.678 775 1HE MET 7 HE1 MET 7 6.284 -6.400 5.783 776 2HE MET 7 HE2 MET 7 5.311 -4.937 5.661 777 3HE MET 7 HE3 MET 7 4.813 -6.398 4.809 778 H VAL 8 HN VAL 8 0.348 -5.515 10.179 779 HA VAL 8 HA VAL 8 -1.830 -7.424 10.285 780 HB VAL 8 HB VAL 8 -0.503 -5.670 12.367 781 1HG1 VAL 8 HG11 VAL 8 -1.788 -7.231 13.991 782 2HG1 VAL 8 HG12 VAL 8 -2.866 -7.533 12.627 783 3HG1 VAL 8 HG13 VAL 8 -2.681 -5.897 13.260 784 1HG2 VAL 8 HG21 VAL 8 0.312 -7.884 13.171 785 2HG2 VAL 8 HG22 VAL 8 0.813 -7.555 11.512 786 3HG2 VAL 8 HG23 VAL 8 -0.528 -8.657 11.826 787 H ALA 9 HN ALA 9 -1.648 -3.936 10.987 788 HA ALA 9 HA ALA 9 -4.418 -3.606 11.565 789 1HB ALA 9 HB1 ALA 9 -3.909 -1.179 10.697 790 2HB ALA 9 HB2 ALA 9 -2.246 -1.756 10.609 791 3HB ALA 9 HB3 ALA 9 -3.100 -1.757 12.152 792 H LEU 10 HN LEU 10 -2.671 -3.825 8.528 793 HA LEU 10 HA LEU 10 -4.940 -2.920 6.921 794 1HB LEU 10 HB2 LEU 10 -2.217 -4.075 6.380 795 2HB LEU 10 HB1 LEU 10 -3.388 -3.990 5.069 796 HG LEU 10 HG LEU 10 -3.197 -1.453 6.610 797 1HD1 LEU 10 HD11 LEU 10 -0.914 -1.678 6.846 798 2HD1 LEU 10 HD12 LEU 10 -0.996 -0.903 5.271 799 3HD1 LEU 10 HD13 LEU 10 -0.728 -2.643 5.387 800 1HD2 LEU 10 HD21 LEU 10 -3.113 -0.503 4.335 801 2HD2 LEU 10 HD22 LEU 10 -4.407 -1.692 4.464 802 3HD2 LEU 10 HD23 LEU 10 -2.896 -2.118 3.660 803 H ILE 11 HN ILE 11 -3.336 -6.098 7.335 804 HA ILE 11 HA ILE 11 -4.971 -7.701 5.781 805 HB ILE 11 HB ILE 11 -3.714 -8.254 8.477 806 1HG1 ILE 11 HG12 ILE 11 -2.983 -9.368 5.761 807 2HG1 ILE 11 HG11 ILE 11 -2.370 -7.808 6.305 808 1HG2 ILE 11 HG21 ILE 11 -5.441 -9.870 8.419 809 2HG2 ILE 11 HG22 ILE 11 -4.063 -10.717 7.718 810 3HG2 ILE 11 HG23 ILE 11 -5.323 -10.065 6.671 811 1HD1 ILE 11 HD11 ILE 11 -2.066 -10.386 7.870 812 2HD1 ILE 11 HD12 ILE 11 -1.333 -8.828 8.248 813 3HD1 ILE 11 HD13 ILE 11 -0.822 -9.718 6.813 814 H ASP 12 HN ASP 12 -5.706 -6.290 8.930 815 HA ASP 12 HA ASP 12 -8.144 -7.798 9.315 816 1HB ASP 12 HB2 ASP 12 -7.160 -5.197 10.517 817 2HB ASP 12 HB1 ASP 12 -8.652 -5.998 11.013 818 H VAL 13 HN VAL 13 -7.520 -4.453 8.214 819 HA VAL 13 HA VAL 13 -10.314 -4.074 7.499 820 HB VAL 13 HB VAL 13 -7.974 -2.407 6.523 821 1HG1 VAL 13 HG11 VAL 13 -9.768 -0.607 6.727 822 2HG1 VAL 13 HG12 VAL 13 -10.930 -1.911 6.956 823 3HG1 VAL 13 HG13 VAL 13 -10.023 -1.796 5.448 824 1HG2 VAL 13 HG21 VAL 13 -9.499 -2.192 9.137 825 2HG2 VAL 13 HG22 VAL 13 -8.307 -1.034 8.546 826 3HG2 VAL 13 HG23 VAL 13 -7.813 -2.671 8.968 827 H PHE 14 HN PHE 14 -7.450 -5.299 5.897 828 HA PHE 14 HA PHE 14 -8.458 -4.921 3.200 829 1HB PHE 14 HB2 PHE 14 -6.172 -6.283 4.459 830 2HB PHE 14 HB1 PHE 14 -6.744 -7.118 3.025 831 HD1 PHE 14 HD1 PHE 14 -5.196 -6.612 1.333 832 HD2 PHE 14 HD2 PHE 14 -6.696 -3.459 3.835 833 HE1 PHE 14 HE1 PHE 14 -4.049 -4.939 -0.092 834 HE2 PHE 14 HE2 PHE 14 -5.549 -1.784 2.411 835 HZ PHE 14 HZ PHE 14 -4.225 -2.523 0.446 836 H HIS 15 HN HIS 15 -8.405 -7.879 5.254 837 HA HIS 15 HA HIS 15 -10.013 -9.328 3.332 838 1HB HIS 15 HB2 HIS 15 -8.387 -10.255 5.145 839 2HB HIS 15 HB1 HIS 15 -9.764 -10.111 6.234 840 HD1 HIS 15 HD1 HIS 15 -10.486 -12.510 6.495 841 HD2 HIS 15 HD2 HIS 15 -9.933 -11.499 2.485 842 HE1 HIS 15 HE1 HIS 15 -11.275 -14.494 5.135 843 H GLN 16 HN GLN 16 -10.791 -7.274 6.073 844 HA GLN 16 HA GLN 16 -13.465 -8.280 6.470 845 1HB GLN 16 HB2 GLN 16 -12.084 -5.683 7.153 846 2HB GLN 16 HB1 GLN 16 -13.804 -5.909 7.475 847 1HG GLN 16 HG2 GLN 16 -13.387 -7.753 8.934 848 2HG GLN 16 HG1 GLN 16 -11.707 -7.872 8.413 849 1HE2 GLN 16 HE21 GLN 16 -13.552 -4.922 9.328 850 2HE2 GLN 16 HE22 GLN 16 -12.526 -4.497 10.611 851 H TYR 17 HN TYR 17 -12.134 -5.719 4.419 852 HA TYR 17 HA TYR 17 -14.846 -5.149 3.337 853 1HB TYR 17 HB2 TYR 17 -12.161 -3.810 3.192 854 2HB TYR 17 HB1 TYR 17 -13.288 -3.528 1.865 855 HD1 TYR 17 HD1 TYR 17 -15.487 -2.486 2.274 856 HD2 TYR 17 HD2 TYR 17 -12.602 -2.944 5.422 857 HE1 TYR 17 HE1 TYR 17 -16.761 -0.882 3.671 858 HE2 TYR 17 HE2 TYR 17 -13.875 -1.336 6.820 859 HH TYR 17 HH TYR 17 -16.858 0.197 5.595 860 H SER 18 HN SER 18 -11.643 -6.086 2.003 861 HA SER 18 HA SER 18 -12.625 -6.730 -0.582 862 1HB SER 18 HB2 SER 18 -10.161 -6.721 0.466 863 2HB SER 18 HB1 SER 18 -10.472 -8.447 0.614 864 HG SER 18 HG SER 18 -9.561 -7.938 -1.406 865 H GLY 19 HN GLY 19 -12.985 -8.292 2.473 866 1HA GLY 19 HA2 GLY 19 -13.958 -10.815 1.232 867 2HA GLY 19 HA1 GLY 19 -13.668 -10.562 2.950 868 H ARG 20 HN ARG 20 -15.246 -7.813 1.992 869 HA ARG 20 HA ARG 20 -17.691 -8.503 3.304 870 1HB ARG 20 HB2 ARG 20 -16.919 -6.166 3.026 871 2HB ARG 20 HB1 ARG 20 -17.138 -6.300 1.283 872 1HG ARG 20 HG2 ARG 20 -19.588 -6.817 1.730 873 2HG ARG 20 HG1 ARG 20 -19.288 -6.413 3.419 874 1HD ARG 20 HD2 ARG 20 -18.362 -4.186 2.547 875 2HD ARG 20 HD1 ARG 20 -19.092 -4.623 1.000 876 HE ARG 20 HE ARG 20 -20.875 -4.728 3.355 877 1HH1 ARG 20 HH21 ARG 20 -19.707 -3.022 0.585 878 2HH1 ARG 20 HH22 ARG 20 -21.099 -2.001 0.470 879 1HH2 ARG 20 HH11 ARG 20 -22.687 -3.400 3.214 880 2HH2 ARG 20 HH12 ARG 20 -22.783 -2.211 1.958 881 H GLU 21 HN GLU 21 -16.777 -8.312 -0.118 882 HA GLU 21 HA GLU 21 -18.759 -10.351 -0.801 883 1HB GLU 21 HB2 GLU 21 -19.829 -8.757 -2.540 884 2HB GLU 21 HB1 GLU 21 -20.319 -8.571 -0.856 885 1HG GLU 21 HG2 GLU 21 -18.795 -6.714 -0.551 886 2HG GLU 21 HG1 GLU 21 -18.108 -6.957 -2.157 887 H GLY 22 HN GLY 22 -18.709 -10.724 -3.264 888 1HA GLY 22 HA2 GLY 22 -17.506 -10.513 -5.372 889 2HA GLY 22 HA1 GLY 22 -16.119 -9.875 -4.492 890 H ASP 23 HN ASP 23 -15.041 -11.603 -5.837 891 HA ASP 23 HA ASP 23 -15.413 -14.359 -5.583 892 1HB ASP 23 HB2 ASP 23 -13.722 -13.396 -7.070 893 2HB ASP 23 HB1 ASP 23 -12.795 -12.831 -5.680 894 H LYS 24 HN LYS 24 -13.208 -12.389 -3.565 895 HA LYS 24 HA LYS 24 -14.033 -13.488 -1.086 896 1HB LYS 24 HB2 LYS 24 -12.351 -15.250 -2.659 897 2HB LYS 24 HB1 LYS 24 -11.441 -14.743 -1.245 898 1HG LYS 24 HG2 LYS 24 -14.272 -15.787 -1.031 899 2HG LYS 24 HG1 LYS 24 -12.871 -16.856 -0.997 900 1HD LYS 24 HD2 LYS 24 -11.998 -15.822 0.975 901 2HD LYS 24 HD1 LYS 24 -13.125 -14.471 0.854 902 1HE LYS 24 HE2 LYS 24 -14.012 -15.902 2.550 903 2HE LYS 24 HE1 LYS 24 -15.001 -16.198 1.122 904 1HZ LYS 24 HZ1 LYS 24 -13.319 -18.050 0.649 905 2HZ LYS 24 HZ2 LYS 24 -14.471 -18.309 1.870 906 3HZ LYS 24 HZ3 LYS 24 -12.877 -17.888 2.277 907 H HIS 25 HN HIS 25 -11.213 -12.358 -2.952 908 HA HIS 25 HA HIS 25 -10.674 -10.386 -0.760 909 1HB HIS 25 HB2 HIS 25 -8.402 -11.607 -2.315 910 2HB HIS 25 HB1 HIS 25 -8.390 -10.877 -0.708 911 HD2 HIS 25 HD2 HIS 25 -8.539 -14.359 -2.247 912 HE1 HIS 25 HE1 HIS 25 -9.986 -14.798 1.697 913 HE2 HIS 25 HE2 HIS 25 -9.188 -16.043 -0.363 914 H LYS 26 HN LYS 26 -12.155 -9.412 -2.736 915 HA LYS 26 HA LYS 26 -10.236 -7.850 -4.410 916 1HB LYS 26 HB2 LYS 26 -11.541 -9.654 -5.690 917 2HB LYS 26 HB1 LYS 26 -12.994 -8.744 -5.296 918 1HG LYS 26 HG2 LYS 26 -12.468 -7.833 -7.379 919 2HG LYS 26 HG1 LYS 26 -11.655 -6.702 -6.303 920 1HD LYS 26 HD2 LYS 26 -9.955 -7.173 -7.835 921 2HD LYS 26 HD1 LYS 26 -9.604 -8.350 -6.574 922 1HE LYS 26 HE2 LYS 26 -10.800 -10.086 -7.824 923 2HE LYS 26 HE1 LYS 26 -11.245 -8.915 -9.063 924 1HZ LYS 26 HZ1 LYS 26 -8.455 -8.848 -8.596 925 2HZ LYS 26 HZ2 LYS 26 -9.290 -9.183 -10.037 926 3HZ LYS 26 HZ3 LYS 26 -8.940 -10.435 -8.944 927 H LEU 27 HN LEU 27 -10.790 -5.633 -4.539 928 HA LEU 27 HA LEU 27 -12.819 -4.793 -2.549 929 1HB LEU 27 HB2 LEU 27 -10.269 -3.826 -3.301 930 2HB LEU 27 HB1 LEU 27 -11.396 -2.579 -3.812 931 HG LEU 27 HG LEU 27 -12.409 -2.845 -1.401 932 1HD1 LEU 27 HD11 LEU 27 -9.696 -4.150 -1.095 933 2HD1 LEU 27 HD12 LEU 27 -11.265 -4.835 -0.690 934 3HD1 LEU 27 HD13 LEU 27 -10.621 -3.494 0.253 935 1HD2 LEU 27 HD21 LEU 27 -11.379 -0.807 -1.928 936 2HD2 LEU 27 HD22 LEU 27 -9.794 -1.541 -2.113 937 3HD2 LEU 27 HD23 LEU 27 -10.502 -1.356 -0.509 938 H LYS 28 HN LYS 28 -14.715 -3.950 -3.081 939 HA LYS 28 HA LYS 28 -15.313 -3.324 -5.958 940 1HB LYS 28 HB2 LYS 28 -17.132 -4.077 -3.655 941 2HB LYS 28 HB1 LYS 28 -17.698 -3.616 -5.260 942 1HG LYS 28 HG2 LYS 28 -16.222 -5.484 -6.175 943 2HG LYS 28 HG1 LYS 28 -16.038 -6.026 -4.504 944 1HD LYS 28 HD2 LYS 28 -18.601 -5.975 -4.377 945 2HD LYS 28 HD1 LYS 28 -18.572 -5.853 -6.136 946 1HE LYS 28 HE2 LYS 28 -17.000 -7.931 -6.023 947 2HE LYS 28 HE1 LYS 28 -17.635 -8.109 -4.387 948 1HZ LYS 28 HZ1 LYS 28 -19.761 -7.605 -6.150 949 2HZ LYS 28 HZ2 LYS 28 -19.473 -8.986 -5.205 950 3HZ LYS 28 HZ3 LYS 28 -18.834 -8.879 -6.775 951 H LYS 29 HN LYS 29 -16.560 -1.366 -6.390 952 HA LYS 29 HA LYS 29 -15.781 0.974 -5.107 953 1HB LYS 29 HB2 LYS 29 -17.005 1.024 -7.214 954 2HB LYS 29 HB1 LYS 29 -18.451 0.392 -6.428 955 1HG LYS 29 HG2 LYS 29 -18.854 2.393 -5.262 956 2HG LYS 29 HG1 LYS 29 -17.188 2.942 -5.428 957 1HD LYS 29 HD2 LYS 29 -18.821 4.162 -6.916 958 2HD LYS 29 HD1 LYS 29 -17.496 3.390 -7.787 959 1HE LYS 29 HE2 LYS 29 -19.822 3.045 -8.773 960 2HE LYS 29 HE1 LYS 29 -18.891 1.576 -8.481 961 1HZ LYS 29 HZ1 LYS 29 -20.263 0.924 -6.849 962 2HZ LYS 29 HZ2 LYS 29 -21.381 1.953 -7.609 963 3HZ LYS 29 HZ3 LYS 29 -20.506 2.494 -6.257 964 H SER 30 HN SER 30 -18.681 -0.964 -4.370 965 HA SER 30 HA SER 30 -19.804 0.570 -2.315 966 1HB SER 30 HB2 SER 30 -19.513 -2.440 -2.132 967 2HB SER 30 HB1 SER 30 -20.811 -1.443 -1.484 968 HG SER 30 HG SER 30 -21.533 -2.315 -3.391 969 H GLU 31 HN GLU 31 -16.711 -0.761 -2.403 970 HA GLU 31 HA GLU 31 -16.428 -0.826 0.570 971 1HB GLU 31 HB2 GLU 31 -14.384 -1.585 -1.535 972 2HB GLU 31 HB1 GLU 31 -14.295 -1.905 0.198 973 1HG GLU 31 HG2 GLU 31 -16.381 -3.253 0.032 974 2HG GLU 31 HG1 GLU 31 -16.378 -3.004 -1.712 975 H LEU 32 HN LEU 32 -15.240 0.908 -2.290 976 HA LEU 32 HA LEU 32 -13.367 2.548 -0.856 977 1HB LEU 32 HB2 LEU 32 -14.712 2.625 -3.508 978 2HB LEU 32 HB1 LEU 32 -14.222 4.190 -2.888 979 HG LEU 32 HG LEU 32 -12.568 2.874 -4.394 980 1HD1 LEU 32 HD11 LEU 32 -10.648 3.800 -3.169 981 2HD1 LEU 32 HD12 LEU 32 -11.650 3.993 -1.730 982 3HD1 LEU 32 HD13 LEU 32 -11.997 4.935 -3.182 983 1HD2 LEU 32 HD21 LEU 32 -11.410 1.080 -3.557 984 2HD2 LEU 32 HD22 LEU 32 -12.914 0.825 -2.681 985 3HD2 LEU 32 HD23 LEU 32 -11.549 1.608 -1.882 986 H LYS 33 HN LYS 33 -16.656 3.356 -1.986 987 HA LYS 33 HA LYS 33 -16.915 5.759 -0.546 988 1HB LYS 33 HB2 LYS 33 -18.406 4.590 -2.356 989 2HB LYS 33 HB1 LYS 33 -19.225 3.879 -0.970 990 1HG LYS 33 HG2 LYS 33 -19.523 6.227 -0.059 991 2HG LYS 33 HG1 LYS 33 -18.907 6.831 -1.598 992 1HD LYS 33 HD2 LYS 33 -21.188 6.817 -2.059 993 2HD LYS 33 HD1 LYS 33 -20.748 5.201 -2.614 994 1HE LYS 33 HE2 LYS 33 -21.428 4.272 -0.414 995 2HE LYS 33 HE1 LYS 33 -21.879 5.891 0.120 996 1HZ LYS 33 HZ1 LYS 33 -23.363 5.926 -1.917 997 2HZ LYS 33 HZ2 LYS 33 -23.851 4.931 -0.629 998 3HZ LYS 33 HZ3 LYS 33 -23.119 4.250 -2.004 999 H GLU 34 HN GLU 34 -17.511 2.415 0.483 1000 HA GLU 34 HA GLU 34 -18.564 3.281 3.090 1001 1HB GLU 34 HB2 GLU 34 -17.797 0.547 2.034 1002 2HB GLU 34 HB1 GLU 34 -18.513 0.832 3.619 1003 1HG GLU 34 HG2 GLU 34 -20.489 1.845 2.578 1004 2HG GLU 34 HG1 GLU 34 -19.777 1.632 0.979 1005 H LEU 35 HN LEU 35 -15.514 2.016 1.836 1006 HA LEU 35 HA LEU 35 -14.265 1.734 4.430 1007 1HB LEU 35 HB2 LEU 35 -13.453 0.524 2.426 1008 2HB LEU 35 HB1 LEU 35 -13.014 2.064 1.683 1009 HG LEU 35 HG LEU 35 -11.432 2.499 3.550 1010 1HD1 LEU 35 HD11 LEU 35 -12.221 1.322 5.418 1011 2HD1 LEU 35 HD12 LEU 35 -10.874 0.317 4.898 1012 3HD1 LEU 35 HD13 LEU 35 -12.524 -0.145 4.490 1013 1HD2 LEU 35 HD21 LEU 35 -10.679 1.398 1.467 1014 2HD2 LEU 35 HD22 LEU 35 -11.047 -0.176 2.174 1015 3HD2 LEU 35 HD23 LEU 35 -9.767 0.826 2.864 1016 H ILE 36 HN ILE 36 -14.630 4.314 2.116 1017 HA ILE 36 HA ILE 36 -12.632 6.050 3.306 1018 HB ILE 36 HB ILE 36 -14.810 6.397 1.238 1019 1HG1 ILE 36 HG12 ILE 36 -11.802 6.680 1.007 1020 2HG1 ILE 36 HG11 ILE 36 -12.643 5.151 0.763 1021 1HG2 ILE 36 HG21 ILE 36 -14.782 8.572 2.104 1022 2HG2 ILE 36 HG22 ILE 36 -13.560 8.658 0.837 1023 3HG2 ILE 36 HG23 ILE 36 -13.073 8.491 2.527 1024 1HD1 ILE 36 HD11 ILE 36 -13.506 7.619 -0.739 1025 2HD1 ILE 36 HD12 ILE 36 -13.759 5.922 -1.158 1026 3HD1 ILE 36 HD13 ILE 36 -12.158 6.642 -1.320 1027 H ASN 37 HN ASN 37 -16.173 5.816 3.468 1028 HA ASN 37 HA ASN 37 -16.386 8.149 5.211 1029 1HB ASN 37 HB2 ASN 37 -18.141 7.405 3.556 1030 2HB ASN 37 HB1 ASN 37 -18.505 6.070 4.649 1031 1HD2 ASN 37 HD21 ASN 37 -17.560 8.457 6.708 1032 2HD2 ASN 37 HD22 ASN 37 -19.056 9.200 7.012 1033 H ASN 38 HN ASN 38 -16.169 4.674 5.740 1034 HA ASN 38 HA ASN 38 -17.059 4.979 8.549 1035 1HB ASN 38 HB2 ASN 38 -17.266 2.675 8.630 1036 2HB ASN 38 HB1 ASN 38 -17.476 2.952 6.903 1037 1HD2 ASN 38 HD21 ASN 38 -16.069 0.774 8.812 1038 2HD2 ASN 38 HD22 ASN 38 -14.653 0.432 7.943 1039 H GLU 39 HN GLU 39 -13.993 4.127 6.901 1040 HA GLU 39 HA GLU 39 -12.612 4.249 9.552 1041 1HB GLU 39 HB2 GLU 39 -11.860 3.120 6.855 1042 2HB GLU 39 HB1 GLU 39 -10.659 3.352 8.125 1043 1HG GLU 39 HG2 GLU 39 -13.229 1.856 8.653 1044 2HG GLU 39 HG1 GLU 39 -11.814 1.043 7.986 1045 H LEU 40 HN LEU 40 -11.887 5.318 6.207 1046 HA LEU 40 HA LEU 40 -10.081 7.371 7.231 1047 1HB LEU 40 HB2 LEU 40 -11.070 7.399 4.393 1048 2HB LEU 40 HB1 LEU 40 -9.456 7.723 5.010 1049 HG LEU 40 HG LEU 40 -10.779 4.990 4.863 1050 1HD1 LEU 40 HD11 LEU 40 -9.172 4.554 3.072 1051 2HD1 LEU 40 HD12 LEU 40 -8.507 6.178 3.248 1052 3HD1 LEU 40 HD13 LEU 40 -10.158 5.960 2.670 1053 1HD2 LEU 40 HD21 LEU 40 -9.204 4.296 6.332 1054 2HD2 LEU 40 HD22 LEU 40 -8.519 5.914 6.430 1055 3HD2 LEU 40 HD23 LEU 40 -7.944 4.796 5.203 1056 H SER 41 HN SER 41 -12.826 7.600 8.176 1057 HA SER 41 HA SER 41 -13.981 9.873 6.705 1058 1HB SER 41 HB2 SER 41 -15.893 9.169 7.717 1059 2HB SER 41 HB1 SER 41 -14.957 7.876 8.459 1060 HG SER 41 HG SER 41 -16.028 9.196 10.002 1061 H HIS 42 HN HIS 42 -11.759 9.407 9.320 1062 HA HIS 42 HA HIS 42 -12.236 12.158 10.367 1063 1HB HIS 42 HB2 HIS 42 -10.407 9.945 11.348 1064 2HB HIS 42 HB1 HIS 42 -10.639 11.503 12.139 1065 HD1 HIS 42 HD1 HIS 42 -13.805 10.551 10.751 1066 HD2 HIS 42 HD2 HIS 42 -11.698 9.495 14.194 1067 HE1 HIS 42 HE1 HIS 42 -15.495 9.536 12.344 1068 HE2 HIS 42 HE2 HIS 42 -14.224 8.891 14.442 1069 H PHE 43 HN PHE 43 -10.136 10.398 8.273 1070 HA PHE 43 HA PHE 43 -8.153 12.655 8.287 1071 1HB PHE 43 HB2 PHE 43 -7.881 9.717 7.621 1072 2HB PHE 43 HB1 PHE 43 -6.675 10.907 7.125 1073 HD1 PHE 43 HD1 PHE 43 -5.068 11.736 8.668 1074 HD2 PHE 43 HD2 PHE 43 -8.469 9.537 10.097 1075 HE1 PHE 43 HE1 PHE 43 -4.083 11.692 10.944 1076 HE2 PHE 43 HE2 PHE 43 -7.482 9.491 12.373 1077 HZ PHE 43 HZ PHE 43 -5.289 10.567 12.794 1078 H LEU 44 HN LEU 44 -10.119 10.528 6.235 1079 HA LEU 44 HA LEU 44 -9.550 12.337 3.909 1080 1HB LEU 44 HB2 LEU 44 -9.101 9.780 3.769 1081 2HB LEU 44 HB1 LEU 44 -10.851 9.619 3.729 1082 HG LEU 44 HG LEU 44 -10.885 11.229 1.787 1083 1HD1 LEU 44 HD11 LEU 44 -8.894 12.417 1.711 1084 2HD1 LEU 44 HD12 LEU 44 -8.501 11.138 0.571 1085 3HD1 LEU 44 HD13 LEU 44 -7.920 11.042 2.231 1086 1HD2 LEU 44 HD21 LEU 44 -11.154 8.926 1.270 1087 2HD2 LEU 44 HD22 LEU 44 -9.467 8.562 1.632 1088 3HD2 LEU 44 HD23 LEU 44 -9.882 9.477 0.182 1089 H GLU 45 HN GLU 45 -11.228 13.595 3.211 1090 HA GLU 45 HA GLU 45 -13.595 13.934 4.675 1091 1HB GLU 45 HB2 GLU 45 -14.465 15.146 2.721 1092 2HB GLU 45 HB1 GLU 45 -12.768 15.549 2.986 1093 1HG GLU 45 HG2 GLU 45 -12.205 13.701 1.320 1094 2HG GLU 45 HG1 GLU 45 -13.922 13.670 0.918 1095 H GLU 46 HN GLU 46 -15.562 12.902 4.706 1096 HA GLU 46 HA GLU 46 -15.783 10.304 3.440 1097 1HB GLU 46 HB2 GLU 46 -18.251 10.584 4.312 1098 2HB GLU 46 HB1 GLU 46 -16.941 10.410 5.478 1099 1HG GLU 46 HG2 GLU 46 -16.897 12.741 5.944 1100 2HG GLU 46 HG1 GLU 46 -17.878 13.122 4.528 1101 H ILE 47 HN ILE 47 -15.915 10.364 1.218 1102 HA ILE 47 HA ILE 47 -17.212 12.428 -0.269 1103 HB ILE 47 HB ILE 47 -17.155 10.797 -2.169 1104 1HG1 ILE 47 HG12 ILE 47 -15.912 8.926 -0.131 1105 2HG1 ILE 47 HG11 ILE 47 -17.556 8.762 -0.743 1106 1HG2 ILE 47 HG21 ILE 47 -15.200 12.188 -1.668 1107 2HG2 ILE 47 HG22 ILE 47 -14.687 10.591 -2.217 1108 3HG2 ILE 47 HG23 ILE 47 -14.635 10.994 -0.500 1109 1HD1 ILE 47 HD11 ILE 47 -16.022 7.319 -2.015 1110 2HD1 ILE 47 HD12 ILE 47 -15.037 8.720 -2.427 1111 3HD1 ILE 47 HD13 ILE 47 -16.682 8.585 -3.048 1112 H LYS 48 HN LYS 48 -19.286 12.620 -1.037 1113 HA LYS 48 HA LYS 48 -21.314 10.666 -0.001 1114 1HB LYS 48 HB2 LYS 48 -21.485 13.609 -0.713 1115 2HB LYS 48 HB1 LYS 48 -22.910 12.607 -0.448 1116 1HG LYS 48 HG2 LYS 48 -22.289 12.154 1.815 1117 2HG LYS 48 HG1 LYS 48 -20.677 12.828 1.579 1118 1HD LYS 48 HD2 LYS 48 -21.564 15.057 1.333 1119 2HD LYS 48 HD1 LYS 48 -23.220 14.451 1.297 1120 1HE LYS 48 HE2 LYS 48 -22.806 13.525 3.632 1121 2HE LYS 48 HE1 LYS 48 -21.308 14.460 3.644 1122 1HZ LYS 48 HZ1 LYS 48 -24.066 15.508 3.328 1123 2HZ LYS 48 HZ2 LYS 48 -22.665 16.448 3.131 1124 3HZ LYS 48 HZ3 LYS 48 -23.025 15.758 4.642 1125 H GLU 49 HN GLU 49 -19.784 11.999 -2.737 1126 HA GLU 49 HA GLU 49 -21.825 10.828 -4.598 1127 1HB GLU 49 HB2 GLU 49 -19.702 12.930 -5.142 1128 2HB GLU 49 HB1 GLU 49 -20.893 12.337 -6.299 1129 1HG GLU 49 HG2 GLU 49 -22.707 13.144 -4.768 1130 2HG GLU 49 HG1 GLU 49 -21.465 13.855 -3.737 1131 H GLN 50 HN GLN 50 -21.034 9.439 -6.243 1132 HA GLN 50 HA GLN 50 -18.522 8.067 -5.570 1133 1HB GLN 50 HB2 GLN 50 -20.486 7.587 -7.836 1134 2HB GLN 50 HB1 GLN 50 -19.199 6.492 -7.333 1135 1HG GLN 50 HG2 GLN 50 -20.269 6.409 -5.051 1136 2HG GLN 50 HG1 GLN 50 -21.625 7.319 -5.721 1137 1HE2 GLN 50 HE21 GLN 50 -20.768 5.632 -8.345 1138 2HE2 GLN 50 HE22 GLN 50 -21.655 4.202 -8.118 1139 H GLU 51 HN GLU 51 -19.607 10.500 -7.765 1140 HA GLU 51 HA GLU 51 -18.103 10.300 -10.004 1141 1HB GLU 51 HB2 GLU 51 -18.459 12.785 -8.330 1142 2HB GLU 51 HB1 GLU 51 -17.910 12.784 -10.007 1143 1HG GLU 51 HG2 GLU 51 -19.993 11.777 -10.745 1144 2HG GLU 51 HG1 GLU 51 -20.532 11.584 -9.077 1145 H VAL 52 HN VAL 52 -16.741 11.467 -6.907 1146 HA VAL 52 HA VAL 52 -14.124 11.764 -8.127 1147 HB VAL 52 HB VAL 52 -13.316 11.979 -5.775 1148 1HG1 VAL 52 HG11 VAL 52 -14.524 14.039 -5.260 1149 2HG1 VAL 52 HG12 VAL 52 -15.853 13.554 -6.315 1150 3HG1 VAL 52 HG13 VAL 52 -14.275 13.932 -7.004 1151 1HG2 VAL 52 HG21 VAL 52 -15.155 12.025 -4.008 1152 2HG2 VAL 52 HG22 VAL 52 -14.742 10.426 -4.628 1153 3HG2 VAL 52 HG23 VAL 52 -16.197 11.245 -5.197 1154 H VAL 53 HN VAL 53 -15.829 9.301 -6.317 1155 HA VAL 53 HA VAL 53 -13.571 7.540 -6.089 1156 HB VAL 53 HB VAL 53 -16.252 7.574 -5.202 1157 1HG1 VAL 53 HG11 VAL 53 -17.207 5.437 -5.826 1158 2HG1 VAL 53 HG12 VAL 53 -15.798 5.044 -6.811 1159 3HG1 VAL 53 HG13 VAL 53 -16.881 6.344 -7.301 1160 1HG2 VAL 53 HG21 VAL 53 -14.230 6.751 -3.993 1161 2HG2 VAL 53 HG22 VAL 53 -14.315 5.270 -4.950 1162 3HG2 VAL 53 HG23 VAL 53 -15.632 5.691 -3.850 1163 H ASP 54 HN ASP 54 -15.722 8.430 -8.626 1164 HA ASP 54 HA ASP 54 -15.110 6.106 -10.310 1165 1HB ASP 54 HB2 ASP 54 -17.205 7.508 -10.568 1166 2HB ASP 54 HB1 ASP 54 -16.181 8.819 -11.154 1167 H LYS 55 HN LYS 55 -13.939 9.351 -9.720 1168 HA LYS 55 HA LYS 55 -12.021 9.295 -11.933 1169 1HB LYS 55 HB2 LYS 55 -12.840 11.452 -11.274 1170 2HB LYS 55 HB1 LYS 55 -12.438 11.160 -9.586 1171 1HG LYS 55 HG2 LYS 55 -10.131 10.919 -11.452 1172 2HG LYS 55 HG1 LYS 55 -10.818 12.537 -11.347 1173 1HD LYS 55 HD2 LYS 55 -10.378 12.720 -9.040 1174 2HD LYS 55 HD1 LYS 55 -10.201 10.979 -8.839 1175 1HE LYS 55 HE2 LYS 55 -8.063 10.955 -9.812 1176 2HE LYS 55 HE1 LYS 55 -8.310 12.504 -10.621 1177 1HZ LYS 55 HZ1 LYS 55 -8.551 13.358 -8.196 1178 2HZ LYS 55 HZ2 LYS 55 -7.007 13.113 -8.860 1179 3HZ LYS 55 HZ3 LYS 55 -7.674 11.961 -7.806 1180 H VAL 56 HN VAL 56 -11.780 9.075 -8.328 1181 HA VAL 56 HA VAL 56 -9.011 8.706 -8.166 1182 HB VAL 56 HB VAL 56 -10.928 8.757 -6.309 1183 1HG1 VAL 56 HG11 VAL 56 -10.272 5.802 -6.363 1184 2HG1 VAL 56 HG12 VAL 56 -11.765 6.462 -7.023 1185 3HG1 VAL 56 HG13 VAL 56 -11.412 6.637 -5.308 1186 1HG2 VAL 56 HG21 VAL 56 -8.555 8.993 -5.816 1187 2HG2 VAL 56 HG22 VAL 56 -8.304 7.262 -6.035 1188 3HG2 VAL 56 HG23 VAL 56 -9.267 7.848 -4.679 1189 H MET 57 HN MET 57 -11.529 6.281 -8.841 1190 HA MET 57 HA MET 57 -9.821 4.008 -8.993 1191 1HB MET 57 HB2 MET 57 -12.418 4.724 -10.360 1192 2HB MET 57 HB1 MET 57 -11.600 3.200 -10.708 1193 1HG MET 57 HG2 MET 57 -11.630 2.636 -8.305 1194 2HG MET 57 HG1 MET 57 -12.471 4.147 -7.962 1195 1HE MET 57 HE1 MET 57 -14.709 0.696 -7.837 1196 2HE MET 57 HE2 MET 57 -13.566 1.650 -6.895 1197 3HE MET 57 HE3 MET 57 -12.971 0.569 -8.160 1198 H GLU 58 HN GLU 58 -10.583 6.505 -11.377 1199 HA GLU 58 HA GLU 58 -9.326 5.311 -13.630 1200 1HB GLU 58 HB2 GLU 58 -10.756 7.426 -13.594 1201 2HB GLU 58 HB1 GLU 58 -9.319 8.272 -13.017 1202 1HG GLU 58 HG2 GLU 58 -8.073 7.488 -15.016 1203 2HG GLU 58 HG1 GLU 58 -9.542 6.710 -15.607 1204 H THR 59 HN THR 59 -8.012 7.147 -10.920 1205 HA THR 59 HA THR 59 -5.315 7.155 -12.105 1206 HB THR 59 HB THR 59 -6.155 7.977 -9.317 1207 HG1 THR 59 HG1 THR 59 -5.904 9.523 -11.683 1208 1HG2 THR 59 HG21 THR 59 -4.093 9.378 -9.517 1209 2HG2 THR 59 HG22 THR 59 -3.758 8.590 -11.059 1210 3HG2 THR 59 HG23 THR 59 -3.762 7.646 -9.569 1211 H LEU 60 HN LEU 60 -7.115 5.409 -9.602 1212 HA LEU 60 HA LEU 60 -4.653 3.923 -8.852 1213 1HB LEU 60 HB2 LEU 60 -7.400 4.211 -7.696 1214 2HB LEU 60 HB1 LEU 60 -6.517 2.731 -7.333 1215 HG LEU 60 HG LEU 60 -6.167 4.492 -5.629 1216 1HD1 LEU 60 HD11 LEU 60 -3.973 3.906 -5.274 1217 2HD1 LEU 60 HD12 LEU 60 -3.467 4.324 -6.908 1218 3HD1 LEU 60 HD13 LEU 60 -4.284 2.791 -6.601 1219 1HD2 LEU 60 HD21 LEU 60 -5.010 6.540 -6.156 1220 2HD2 LEU 60 HD22 LEU 60 -6.359 6.390 -7.282 1221 3HD2 LEU 60 HD23 LEU 60 -4.720 6.013 -7.813 1222 H ASP 61 HN ASP 61 -7.928 3.093 -10.223 1223 HA ASP 61 HA ASP 61 -7.403 0.339 -10.531 1224 1HB ASP 61 HB2 ASP 61 -9.537 1.827 -10.997 1225 2HB ASP 61 HB1 ASP 61 -8.897 1.875 -12.638 1226 H GLU 62 HN GLU 62 -5.601 -0.403 -11.367 1227 HA GLU 62 HA GLU 62 -4.220 0.986 -13.550 1228 1HB GLU 62 HB2 GLU 62 -2.927 -0.085 -11.722 1229 2HB GLU 62 HB1 GLU 62 -3.585 -1.651 -12.198 1230 1HG GLU 62 HG2 GLU 62 -2.529 -1.488 -14.384 1231 2HG GLU 62 HG1 GLU 62 -1.969 0.146 -14.026 1232 H ASP 63 HN ASP 63 -5.713 -2.194 -13.045 1233 HA ASP 63 HA ASP 63 -5.555 -2.817 -15.890 1234 1HB ASP 63 HB2 ASP 63 -7.268 -4.646 -15.117 1235 2HB ASP 63 HB1 ASP 63 -5.606 -4.751 -14.537 1236 H GLY 64 HN GLY 64 -7.308 -0.628 -14.122 1237 1HA GLY 64 HA2 GLY 64 -9.321 0.518 -14.536 1238 2HA GLY 64 HA1 GLY 64 -9.057 0.082 -16.228 1239 H ASP 65 HN ASP 65 -9.639 -1.962 -13.373 1240 HA ASP 65 HA ASP 65 -11.736 -3.399 -14.941 1241 1HB ASP 65 HB2 ASP 65 -11.617 -5.074 -13.149 1242 2HB ASP 65 HB1 ASP 65 -10.000 -4.716 -13.754 1243 H GLY 66 HN GLY 66 -11.560 -0.839 -12.790 1244 1HA GLY 66 HA2 GLY 66 -13.423 0.372 -11.904 1245 2HA GLY 66 HA1 GLY 66 -14.472 -0.992 -12.299 1246 H GLU 67 HN GLU 67 -11.849 -2.305 -10.890 1247 HA GLU 67 HA GLU 67 -12.863 -2.021 -8.085 1248 1HB GLU 67 HB2 GLU 67 -12.121 -4.575 -9.553 1249 2HB GLU 67 HB1 GLU 67 -12.340 -4.471 -7.806 1250 1HG GLU 67 HG2 GLU 67 -14.444 -5.202 -8.603 1251 2HG GLU 67 HG1 GLU 67 -14.664 -3.473 -8.342 1252 H CYS 68 HN CYS 68 -11.133 -2.635 -6.502 1253 HA CYS 68 HA CYS 68 -8.409 -2.025 -7.625 1254 1HB CYS 68 HB2 CYS 68 -9.406 -1.474 -4.825 1255 2HB CYS 68 HB1 CYS 68 -7.911 -0.903 -5.564 1256 HG CYS 68 HG CYS 68 -9.472 0.481 -7.270 1257 H ASP 69 HN ASP 69 -7.549 -4.126 -7.829 1258 HA ASP 69 HA ASP 69 -7.885 -6.290 -6.077 1259 1HB ASP 69 HB2 ASP 69 -6.560 -6.161 -8.306 1260 2HB ASP 69 HB1 ASP 69 -5.201 -5.637 -7.312 1261 H PHE 70 HN PHE 70 -5.653 -7.043 -4.721 1262 HA PHE 70 HA PHE 70 -5.618 -5.175 -2.507 1263 1HB PHE 70 HB2 PHE 70 -3.696 -6.905 -1.786 1264 2HB PHE 70 HB1 PHE 70 -5.404 -7.316 -1.681 1265 HD1 PHE 70 HD1 PHE 70 -6.206 -9.216 -2.785 1266 HD2 PHE 70 HD2 PHE 70 -2.519 -7.439 -4.077 1267 HE1 PHE 70 HE1 PHE 70 -5.875 -11.079 -4.388 1268 HE2 PHE 70 HE2 PHE 70 -2.183 -9.299 -5.681 1269 HZ PHE 70 HZ PHE 70 -3.860 -11.122 -5.836 1270 H GLN 71 HN GLN 71 -3.426 -5.790 -5.186 1271 HA GLN 71 HA GLN 71 -1.179 -4.473 -3.981 1272 1HB GLN 71 HB2 GLN 71 -0.287 -4.395 -6.380 1273 2HB GLN 71 HB1 GLN 71 -0.581 -5.980 -5.679 1274 1HG GLN 71 HG2 GLN 71 -1.473 -6.050 -7.891 1275 2HG GLN 71 HG1 GLN 71 -2.866 -5.922 -6.827 1276 1HE2 GLN 71 HE21 GLN 71 -0.567 -3.414 -8.020 1277 2HE2 GLN 71 HE22 GLN 71 -1.769 -2.423 -8.693 1278 H GLU 72 HN GLU 72 -3.730 -3.266 -6.186 1279 HA GLU 72 HA GLU 72 -2.413 -0.611 -6.144 1280 1HB GLU 72 HB2 GLU 72 -3.994 0.053 -7.789 1281 2HB GLU 72 HB1 GLU 72 -3.502 -1.581 -8.220 1282 1HG GLU 72 HG2 GLU 72 -5.637 -2.196 -6.675 1283 2HG GLU 72 HG1 GLU 72 -6.145 -0.588 -7.198 1284 H PHE 73 HN PHE 73 -5.167 -2.320 -4.780 1285 HA PHE 73 HA PHE 73 -6.587 -0.160 -3.689 1286 1HB PHE 73 HB2 PHE 73 -7.495 -2.365 -3.448 1287 2HB PHE 73 HB1 PHE 73 -6.033 -2.934 -2.660 1288 HD1 PHE 73 HD1 PHE 73 -7.241 -3.865 -0.810 1289 HD2 PHE 73 HD2 PHE 73 -7.525 0.332 -1.698 1290 HE1 PHE 73 HE1 PHE 73 -8.270 -3.463 1.398 1291 HE2 PHE 73 HE2 PHE 73 -8.548 0.726 0.519 1292 HZ PHE 73 HZ PHE 73 -8.937 -1.182 2.056 1293 H MET 74 HN MET 74 -3.771 -1.892 -2.342 1294 HA MET 74 HA MET 74 -3.595 -0.265 -0.003 1295 1HB MET 74 HB2 MET 74 -2.218 -2.436 -0.924 1296 2HB MET 74 HB1 MET 74 -1.036 -1.177 -1.267 1297 1HG MET 74 HG2 MET 74 -1.686 -0.474 1.275 1298 2HG MET 74 HG1 MET 74 -2.017 -2.200 1.368 1299 1HE MET 74 HE1 MET 74 0.247 -3.404 2.719 1300 2HE MET 74 HE2 MET 74 -0.533 -1.903 3.212 1301 3HE MET 74 HE3 MET 74 1.224 -2.001 3.179 1302 H ALA 75 HN ALA 75 -2.226 -0.002 -3.249 1303 HA ALA 75 HA ALA 75 -0.727 2.375 -2.925 1304 1HB ALA 75 HB1 ALA 75 -1.058 0.954 -5.075 1305 2HB ALA 75 HB2 ALA 75 -0.830 2.690 -5.261 1306 3HB ALA 75 HB3 ALA 75 -2.444 2.000 -5.380 1307 H PHE 76 HN PHE 76 -4.164 1.991 -2.747 1308 HA PHE 76 HA PHE 76 -4.780 4.796 -3.268 1309 1HB PHE 76 HB2 PHE 76 -6.608 3.219 -3.491 1310 2HB PHE 76 HB1 PHE 76 -6.358 2.629 -1.857 1311 HD1 PHE 76 HD1 PHE 76 -8.014 3.298 -0.366 1312 HD2 PHE 76 HD2 PHE 76 -6.727 6.032 -3.428 1313 HE1 PHE 76 HE1 PHE 76 -9.576 5.011 0.502 1314 HE2 PHE 76 HE2 PHE 76 -8.290 7.741 -2.550 1315 HZ PHE 76 HZ PHE 76 -9.715 7.231 -0.588 1316 H VAL 77 HN VAL 77 -4.511 2.845 -0.284 1317 HA VAL 77 HA VAL 77 -4.776 4.951 1.584 1318 HB VAL 77 HB VAL 77 -2.877 2.589 1.743 1319 1HG1 VAL 77 HG11 VAL 77 -3.291 2.906 4.210 1320 2HG1 VAL 77 HG12 VAL 77 -4.102 4.419 3.810 1321 3HG1 VAL 77 HG13 VAL 77 -2.390 4.218 3.450 1322 1HG2 VAL 77 HG21 VAL 77 -5.786 2.889 2.531 1323 2HG2 VAL 77 HG22 VAL 77 -4.763 1.529 2.992 1324 3HG2 VAL 77 HG23 VAL 77 -5.136 1.815 1.293 1325 H SER 78 HN SER 78 -2.043 3.924 -0.353 1326 HA SER 78 HA SER 78 -0.032 5.569 0.843 1327 1HB SER 78 HB2 SER 78 0.264 3.632 -0.806 1328 2HB SER 78 HB1 SER 78 -0.174 4.770 -2.064 1329 HG SER 78 HG SER 78 1.560 6.099 -1.296 1330 H MET 79 HN MET 79 -2.507 6.084 -1.562 1331 HA MET 79 HA MET 79 -1.476 8.629 -2.475 1332 1HB MET 79 HB2 MET 79 -3.013 7.116 -3.799 1333 2HB MET 79 HB1 MET 79 -4.307 7.582 -2.696 1334 1HG MET 79 HG2 MET 79 -3.554 10.043 -3.329 1335 2HG MET 79 HG1 MET 79 -2.882 9.242 -4.750 1336 1HE MET 79 HE1 MET 79 -4.180 10.597 -6.208 1337 2HE MET 79 HE2 MET 79 -5.743 10.080 -6.833 1338 3HE MET 79 HE3 MET 79 -4.367 8.984 -6.911 1339 H VAL 80 HN VAL 80 -3.682 7.569 0.033 1340 HA VAL 80 HA VAL 80 -4.443 10.358 0.621 1341 HB VAL 80 HB VAL 80 -6.147 9.527 1.950 1342 1HG1 VAL 80 HG11 VAL 80 -6.150 8.331 -0.320 1343 2HG1 VAL 80 HG12 VAL 80 -7.151 7.638 0.958 1344 3HG1 VAL 80 HG13 VAL 80 -5.597 6.910 0.565 1345 1HG2 VAL 80 HG21 VAL 80 -4.299 7.240 2.683 1346 2HG2 VAL 80 HG22 VAL 80 -5.980 7.327 3.199 1347 3HG2 VAL 80 HG23 VAL 80 -4.833 8.560 3.720 1348 H THR 81 HN THR 81 -2.326 7.763 1.711 1349 HA THR 81 HA THR 81 -1.538 9.129 4.146 1350 HB THR 81 HB THR 81 0.070 7.099 2.574 1351 HG1 THR 81 HG1 THR 81 -1.055 5.543 3.650 1352 1HG2 THR 81 HG21 THR 81 0.794 6.494 4.935 1353 2HG2 THR 81 HG22 THR 81 0.007 7.982 5.460 1354 3HG2 THR 81 HG23 THR 81 1.365 8.051 4.337 1355 H THR 82 HN THR 82 -0.374 9.023 0.752 1356 HA THR 82 HA THR 82 2.055 10.454 1.257 1357 HB THR 82 HB THR 82 1.781 11.027 -1.248 1358 HG1 THR 82 HG1 THR 82 0.035 10.339 -2.203 1359 1HG2 THR 82 HG21 THR 82 2.033 8.317 0.020 1360 2HG2 THR 82 HG22 THR 82 3.208 9.228 -0.929 1361 3HG2 THR 82 HG23 THR 82 1.878 8.399 -1.736 1362 H ALA 83 HN ALA 83 -1.262 11.611 0.459 1363 HA ALA 83 HA ALA 83 -0.502 14.345 0.115 1364 1HB ALA 83 HB1 ALA 83 -3.142 13.314 1.191 1365 2HB ALA 83 HB2 ALA 83 -2.725 13.306 -0.523 1366 3HB ALA 83 HB3 ALA 83 -2.855 14.835 0.346 1367 H CYS 84 HN CYS 84 -1.469 12.436 2.954 1368 HA CYS 84 HA CYS 84 -1.487 14.653 4.790 1369 1HB CYS 84 HB2 CYS 84 -0.868 11.735 5.359 1370 2HB CYS 84 HB1 CYS 84 -1.360 12.946 6.544 1371 HG CYS 84 HG CYS 84 -3.294 11.337 5.052 1372 H HIS 85 HN HIS 85 1.035 12.794 3.317 1373 HA HIS 85 HA HIS 85 3.086 13.806 5.214 1374 1HB HIS 85 HB2 HIS 85 3.434 11.518 4.642 1375 2HB HIS 85 HB1 HIS 85 3.117 11.812 2.934 1376 HD1 HIS 85 HD1 HIS 85 5.367 11.141 1.971 1377 HD2 HIS 85 HD2 HIS 85 5.726 13.927 5.051 1378 HE1 HIS 85 HE1 HIS 85 7.789 11.885 1.986 1379 H GLU 86 HN GLU 86 1.986 14.174 1.870 1380 HA GLU 86 HA GLU 86 4.202 15.890 1.105 1381 1HB GLU 86 HB2 GLU 86 2.882 14.583 -0.549 1382 2HB GLU 86 HB1 GLU 86 1.479 15.590 -0.192 1383 1HG GLU 86 HG2 GLU 86 2.649 17.582 -0.953 1384 2HG GLU 86 HG1 GLU 86 4.137 16.661 -1.180 1385 H PHE 87 HN PHE 87 0.789 16.479 1.952 1386 HA PHE 87 HA PHE 87 0.755 19.278 1.698 1387 1HB PHE 87 HB2 PHE 87 -1.272 18.029 2.233 1388 2HB PHE 87 HB1 PHE 87 -0.599 17.544 3.789 1389 HD1 PHE 87 HD1 PHE 87 -1.815 20.430 1.797 1390 HD2 PHE 87 HD2 PHE 87 -0.593 19.033 5.670 1391 HE1 PHE 87 HE1 PHE 87 -2.675 22.517 2.822 1392 HE2 PHE 87 HE2 PHE 87 -1.455 21.120 6.694 1393 HZ PHE 87 HZ PHE 87 -2.498 22.860 5.270 1394 H PHE 88 HN PHE 88 1.795 17.310 4.479 1395 HA PHE 88 HA PHE 88 2.417 19.435 6.248 1396 1HB PHE 88 HB2 PHE 88 2.379 17.019 6.864 1397 2HB PHE 88 HB1 PHE 88 3.881 16.794 5.969 1398 HD1 PHE 88 HD1 PHE 88 5.991 17.477 6.875 1399 HD2 PHE 88 HD2 PHE 88 2.333 18.522 8.868 1400 HE1 PHE 88 HE1 PHE 88 7.284 18.215 8.859 1401 HE2 PHE 88 HE2 PHE 88 3.625 19.264 10.851 1402 HZ PHE 88 HZ PHE 88 6.101 19.109 10.847 1403 H GLU 89 HN GLU 89 3.877 18.624 3.273 1404 HA GLU 89 HA GLU 89 6.429 20.026 3.991 1405 1HB GLU 89 HB2 GLU 89 5.689 18.239 1.658 1406 2HB GLU 89 HB1 GLU 89 7.215 19.114 1.777 1407 1HG GLU 89 HG2 GLU 89 7.822 17.931 3.792 1408 2HG GLU 89 HG1 GLU 89 6.224 17.191 3.899 1409 H HIS 90 HN HIS 90 3.444 20.478 2.364 1410 HA HIS 90 HA HIS 90 4.201 22.216 0.248 1411 1HB HIS 90 HB2 HIS 90 1.727 22.008 1.968 1412 2HB HIS 90 HB1 HIS 90 1.874 23.298 0.776 1413 HD1 HIS 90 HD1 HIS 90 -0.034 22.225 -0.664 1414 HD2 HIS 90 HD2 HIS 90 3.322 19.791 -0.199 1415 HE1 HIS 90 HE1 HIS 90 -0.262 20.354 -2.361 1416 HE2 HIS 90 HE2 HIS 90 1.776 18.869 -2.087 1417 H GLU 91 HN GLU 91 5.731 23.771 0.698 1418 HA GLU 91 HA GLU 91 5.769 25.286 3.164 1419 1HB GLU 91 HB2 GLU 91 7.078 26.067 0.548 1420 2HB GLU 91 HB1 GLU 91 7.567 26.530 2.177 1421 1HG GLU 91 HG2 GLU 91 7.889 24.026 2.629 1422 2HG GLU 91 HG1 GLU 91 7.759 23.806 0.883 Start of MODEL 3 1 1H MET 0 HT1 MET 0 -11.085 3.283 17.873 2 2H MET 0 HT2 MET 0 -11.543 3.761 16.309 3 3H MET 0 HT3 MET 0 -9.951 4.015 16.847 4 HA MET 0 HA MET 0 -9.514 1.672 16.903 5 1HB MET 0 HB2 MET 0 -11.983 1.200 17.524 6 2HB MET 0 HB1 MET 0 -12.293 1.240 15.788 7 1HG MET 0 HG2 MET 0 -10.588 -0.519 15.447 8 2HG MET 0 HG1 MET 0 -10.301 -0.573 17.186 9 1HE MET 0 HE1 MET 0 -12.708 -3.483 15.252 10 2HE MET 0 HE2 MET 0 -11.012 -3.194 15.626 11 3HE MET 0 HE3 MET 0 -11.815 -2.215 14.402 12 H SER 1 HN SER 1 -8.899 3.745 15.195 13 HA SER 1 HA SER 1 -9.720 3.010 12.457 14 1HB SER 1 HB2 SER 1 -7.910 4.872 11.971 15 2HB SER 1 HB1 SER 1 -9.493 5.318 12.593 16 HG SER 1 HG SER 1 -7.584 4.636 14.483 17 H GLU 2 HN GLU 2 -8.827 0.894 12.433 18 HA GLU 2 HA GLU 2 -6.082 0.226 12.893 19 1HB GLU 2 HB2 GLU 2 -8.139 -1.002 11.042 20 2HB GLU 2 HB1 GLU 2 -6.547 -1.712 11.321 21 1HG GLU 2 HG2 GLU 2 -7.011 -2.108 13.614 22 2HG GLU 2 HG1 GLU 2 -8.402 -1.023 13.609 23 H LEU 3 HN LEU 3 -7.699 1.710 10.155 24 HA LEU 3 HA LEU 3 -5.489 1.328 8.326 25 1HB LEU 3 HB2 LEU 3 -8.142 2.595 8.272 26 2HB LEU 3 HB1 LEU 3 -6.962 3.542 7.380 27 HG LEU 3 HG LEU 3 -7.217 0.570 6.955 28 1HD1 LEU 3 HD11 LEU 3 -8.795 0.854 5.231 29 2HD1 LEU 3 HD12 LEU 3 -8.562 2.593 5.179 30 3HD1 LEU 3 HD13 LEU 3 -9.420 1.867 6.528 31 1HD2 LEU 3 HD21 LEU 3 -6.038 0.974 4.937 32 2HD2 LEU 3 HD22 LEU 3 -5.201 1.941 6.146 33 3HD2 LEU 3 HD23 LEU 3 -6.322 2.710 5.025 34 H GLU 4 HN GLU 4 -6.197 3.732 10.791 35 HA GLU 4 HA GLU 4 -4.357 5.713 9.713 36 1HB GLU 4 HB2 GLU 4 -5.677 5.362 12.409 37 2HB GLU 4 HB1 GLU 4 -4.524 6.657 12.092 38 1HG GLU 4 HG2 GLU 4 -5.902 7.606 10.391 39 2HG GLU 4 HG1 GLU 4 -6.943 6.185 10.343 40 H LYS 5 HN LYS 5 -4.113 2.981 11.917 41 HA LYS 5 HA LYS 5 -1.540 3.638 13.008 42 1HB LYS 5 HB2 LYS 5 -3.225 1.171 12.757 43 2HB LYS 5 HB1 LYS 5 -1.514 0.930 13.106 44 1HG LYS 5 HG2 LYS 5 -1.636 2.005 15.168 45 2HG LYS 5 HG1 LYS 5 -3.039 2.964 14.711 46 1HD LYS 5 HD2 LYS 5 -3.410 -0.013 14.817 47 2HD LYS 5 HD1 LYS 5 -3.231 0.825 16.356 48 1HE LYS 5 HE2 LYS 5 -5.144 1.971 14.347 49 2HE LYS 5 HE1 LYS 5 -5.632 0.535 15.246 50 1HZ LYS 5 HZ1 LYS 5 -4.490 2.872 16.638 51 2HZ LYS 5 HZ2 LYS 5 -5.473 1.633 17.260 52 3HZ LYS 5 HZ3 LYS 5 -6.139 2.819 16.244 53 H ALA 6 HN ALA 6 -2.546 1.790 10.158 54 HA ALA 6 HA ALA 6 0.078 1.026 9.321 55 1HB ALA 6 HB1 ALA 6 -2.072 0.073 8.432 56 2HB ALA 6 HB2 ALA 6 -0.931 0.541 7.175 57 3HB ALA 6 HB3 ALA 6 -2.305 1.578 7.548 58 H MET 7 HN MET 7 -1.952 3.746 8.253 59 HA MET 7 HA MET 7 -0.123 4.911 6.473 60 1HB MET 7 HB2 MET 7 -1.975 6.330 8.416 61 2HB MET 7 HB1 MET 7 -1.229 7.074 7.007 62 1HG MET 7 HG2 MET 7 -2.441 5.630 5.513 63 2HG MET 7 HG1 MET 7 -3.009 4.645 6.851 64 1HE MET 7 HE1 MET 7 -6.278 5.619 6.648 65 2HE MET 7 HE2 MET 7 -5.045 4.698 5.802 66 3HE MET 7 HE3 MET 7 -5.747 6.127 5.042 67 H VAL 8 HN VAL 8 -0.364 5.298 10.001 68 HA VAL 8 HA VAL 8 1.828 7.190 10.142 69 HB VAL 8 HB VAL 8 0.521 5.422 12.224 70 1HG1 VAL 8 HG11 VAL 8 2.675 5.838 13.117 71 2HG1 VAL 8 HG12 VAL 8 1.671 7.108 13.813 72 3HG1 VAL 8 HG13 VAL 8 2.731 7.471 12.451 73 1HG2 VAL 8 HG21 VAL 8 -0.883 7.209 11.244 74 2HG2 VAL 8 HG22 VAL 8 0.354 8.399 11.656 75 3HG2 VAL 8 HG23 VAL 8 -0.510 7.545 12.934 76 H ALA 9 HN ALA 9 1.585 3.722 10.877 77 HA ALA 9 HA ALA 9 4.316 3.326 11.552 78 1HB ALA 9 HB1 ALA 9 3.838 1.050 11.505 79 2HB ALA 9 HB2 ALA 9 2.836 1.178 10.060 80 3HB ALA 9 HB3 ALA 9 2.206 1.705 11.619 81 H LEU 10 HN LEU 10 2.722 3.599 8.423 82 HA LEU 10 HA LEU 10 5.082 2.693 6.945 83 1HB LEU 10 HB2 LEU 10 2.354 3.730 6.271 84 2HB LEU 10 HB1 LEU 10 3.594 3.843 5.023 85 HG LEU 10 HG LEU 10 3.270 1.230 6.493 86 1HD1 LEU 10 HD11 LEU 10 1.394 2.327 4.400 87 2HD1 LEU 10 HD12 LEU 10 1.001 1.547 5.932 88 3HD1 LEU 10 HD13 LEU 10 1.643 0.590 4.597 89 1HD2 LEU 10 HD21 LEU 10 3.998 2.008 3.644 90 2HD2 LEU 10 HD22 LEU 10 3.926 0.351 4.247 91 3HD2 LEU 10 HD23 LEU 10 5.115 1.475 4.903 92 H ILE 11 HN ILE 11 3.462 5.864 7.321 93 HA ILE 11 HA ILE 11 5.162 7.482 5.849 94 HB ILE 11 HB ILE 11 3.789 7.998 8.498 95 1HG1 ILE 11 HG12 ILE 11 3.300 9.108 5.725 96 2HG1 ILE 11 HG11 ILE 11 2.505 7.669 6.342 97 1HG2 ILE 11 HG21 ILE 11 4.266 10.498 7.770 98 2HG2 ILE 11 HG22 ILE 11 5.637 9.786 6.922 99 3HG2 ILE 11 HG23 ILE 11 5.489 9.603 8.670 100 1HD1 ILE 11 HD11 ILE 11 1.629 9.012 8.253 101 2HD1 ILE 11 HD12 ILE 11 1.059 9.608 6.694 102 3HD1 ILE 11 HD13 ILE 11 2.359 10.450 7.538 103 H ASP 12 HN ASP 12 5.819 5.947 8.946 104 HA ASP 12 HA ASP 12 8.254 7.468 9.418 105 1HB ASP 12 HB2 ASP 12 7.134 4.936 10.636 106 2HB ASP 12 HB1 ASP 12 8.673 5.637 11.140 107 H VAL 13 HN VAL 13 7.593 4.139 8.306 108 HA VAL 13 HA VAL 13 10.421 3.709 7.682 109 HB VAL 13 HB VAL 13 8.110 2.013 6.693 110 1HG1 VAL 13 HG11 VAL 13 10.365 1.514 5.824 111 2HG1 VAL 13 HG12 VAL 13 9.786 0.222 6.881 112 3HG1 VAL 13 HG13 VAL 13 10.970 1.385 7.475 113 1HG2 VAL 13 HG21 VAL 13 7.828 2.394 9.118 114 2HG2 VAL 13 HG22 VAL 13 9.497 1.903 9.390 115 3HG2 VAL 13 HG23 VAL 13 8.318 0.736 8.787 116 H PHE 14 HN PHE 14 7.579 4.860 6.040 117 HA PHE 14 HA PHE 14 8.609 4.464 3.348 118 1HB PHE 14 HB2 PHE 14 6.285 4.741 3.382 119 2HB PHE 14 HB1 PHE 14 6.362 6.052 4.547 120 HD1 PHE 14 HD1 PHE 14 5.796 8.160 3.701 121 HD2 PHE 14 HD2 PHE 14 7.767 5.324 1.151 122 HE1 PHE 14 HE1 PHE 14 5.747 9.795 1.849 123 HE2 PHE 14 HE2 PHE 14 7.724 6.967 -0.706 124 HZ PHE 14 HZ PHE 14 6.711 9.200 -0.355 125 H HIS 15 HN HIS 15 8.361 7.394 5.401 126 HA HIS 15 HA HIS 15 9.920 8.991 3.580 127 1HB HIS 15 HB2 HIS 15 8.257 9.800 5.364 128 2HB HIS 15 HB1 HIS 15 9.563 9.562 6.523 129 HD1 HIS 15 HD1 HIS 15 10.219 11.946 7.019 130 HD2 HIS 15 HD2 HIS 15 10.017 11.203 2.920 131 HE1 HIS 15 HE1 HIS 15 11.138 14.004 5.867 132 H GLN 16 HN GLN 16 10.763 6.983 6.361 133 HA GLN 16 HA GLN 16 13.426 8.030 6.702 134 1HB GLN 16 HB2 GLN 16 12.113 5.414 7.441 135 2HB GLN 16 HB1 GLN 16 13.811 5.732 7.799 136 1HG GLN 16 HG2 GLN 16 11.660 7.689 8.613 137 2HG GLN 16 HG1 GLN 16 12.051 6.301 9.625 138 1HE2 GLN 16 HE21 GLN 16 12.574 8.713 10.807 139 2HE2 GLN 16 HE22 GLN 16 14.236 9.052 10.808 140 H TYR 17 HN TYR 17 12.076 5.453 4.688 141 HA TYR 17 HA TYR 17 14.785 4.824 3.625 142 1HB TYR 17 HB2 TYR 17 12.085 3.494 3.395 143 2HB TYR 17 HB1 TYR 17 13.399 3.077 2.294 144 HD1 TYR 17 HD1 TYR 17 12.487 3.304 5.904 145 HD2 TYR 17 HD2 TYR 17 15.199 1.677 2.997 146 HE1 TYR 17 HE1 TYR 17 13.521 1.890 7.659 147 HE2 TYR 17 HE2 TYR 17 16.230 0.260 4.753 148 HH TYR 17 HH TYR 17 14.951 0.234 8.076 149 H SER 18 HN SER 18 11.562 5.636 2.233 150 HA SER 18 HA SER 18 12.496 6.177 -0.377 151 1HB SER 18 HB2 SER 18 10.371 7.785 1.064 152 2HB SER 18 HB1 SER 18 10.522 7.536 -0.672 153 HG SER 18 HG SER 18 9.660 5.622 -0.469 154 H GLY 19 HN GLY 19 12.926 7.909 2.597 155 1HA GLY 19 HA2 GLY 19 13.968 10.323 1.188 156 2HA GLY 19 HA1 GLY 19 13.576 10.226 2.901 157 H ARG 20 HN ARG 20 15.197 7.408 2.333 158 HA ARG 20 HA ARG 20 17.533 8.141 3.761 159 1HB ARG 20 HB2 ARG 20 16.817 5.805 3.417 160 2HB ARG 20 HB1 ARG 20 17.165 5.937 1.700 161 1HG ARG 20 HG2 ARG 20 19.589 6.526 2.457 162 2HG ARG 20 HG1 ARG 20 19.097 5.887 4.022 163 1HD ARG 20 HD2 ARG 20 18.438 3.761 2.921 164 2HD ARG 20 HD1 ARG 20 18.989 4.409 1.377 165 HE ARG 20 HE ARG 20 21.227 4.064 2.076 166 1HH1 ARG 20 HH21 ARG 20 18.953 3.749 4.645 167 2HH1 ARG 20 HH22 ARG 20 20.120 3.159 5.783 168 1HH2 ARG 20 HH11 ARG 20 22.763 3.311 3.543 169 2HH2 ARG 20 HH12 ARG 20 22.279 2.903 5.154 170 H GLU 21 HN GLU 21 16.825 8.137 0.306 171 HA GLU 21 HA GLU 21 18.829 10.150 -0.222 172 1HB GLU 21 HB2 GLU 21 20.161 8.575 -1.803 173 2HB GLU 21 HB1 GLU 21 20.491 8.486 -0.073 174 1HG GLU 21 HG2 GLU 21 19.094 6.545 0.174 175 2HG GLU 21 HG1 GLU 21 18.508 6.690 -1.483 176 H GLY 22 HN GLY 22 19.102 10.379 -2.701 177 1HA GLY 22 HA2 GLY 22 18.130 10.052 -4.916 178 2HA GLY 22 HA1 GLY 22 16.647 9.482 -4.150 179 H ASP 23 HN ASP 23 15.989 11.288 -5.848 180 HA ASP 23 HA ASP 23 16.341 14.024 -5.318 181 1HB ASP 23 HB2 ASP 23 15.036 13.002 -7.245 182 2HB ASP 23 HB1 ASP 23 13.699 12.771 -6.117 183 H LYS 24 HN LYS 24 13.641 11.982 -4.135 184 HA LYS 24 HA LYS 24 13.737 12.631 -1.434 185 1HB LYS 24 HB2 LYS 24 12.804 14.904 -3.057 186 2HB LYS 24 HB1 LYS 24 11.590 14.428 -1.887 187 1HG LYS 24 HG2 LYS 24 14.448 14.747 -0.971 188 2HG LYS 24 HG1 LYS 24 13.451 16.177 -1.214 189 1HD LYS 24 HD2 LYS 24 11.934 15.577 0.470 190 2HD LYS 24 HD1 LYS 24 12.387 13.873 0.413 191 1HE LYS 24 HE2 LYS 24 14.548 14.368 1.435 192 2HE LYS 24 HE1 LYS 24 14.211 16.098 1.382 193 1HZ LYS 24 HZ1 LYS 24 13.755 15.241 3.565 194 2HZ LYS 24 HZ2 LYS 24 12.712 14.058 2.934 195 3HZ LYS 24 HZ3 LYS 24 12.295 15.702 2.836 196 H HIS 25 HN HIS 25 12.036 11.651 -0.336 197 HA HIS 25 HA HIS 25 10.398 9.972 -0.156 198 1HB HIS 25 HB2 HIS 25 8.726 11.634 -2.016 199 2HB HIS 25 HB1 HIS 25 8.287 10.890 -0.483 200 HD2 HIS 25 HD2 HIS 25 9.053 14.334 -1.751 201 HE1 HIS 25 HE1 HIS 25 10.123 14.448 2.328 202 HE2 HIS 25 HE2 HIS 25 9.664 15.856 0.274 203 H LYS 26 HN LYS 26 12.172 9.044 -2.170 204 HA LYS 26 HA LYS 26 10.214 7.660 -3.926 205 1HB LYS 26 HB2 LYS 26 12.676 9.200 -4.773 206 2HB LYS 26 HB1 LYS 26 12.085 7.837 -5.726 207 1HG LYS 26 HG2 LYS 26 9.916 8.898 -6.007 208 2HG LYS 26 HG1 LYS 26 10.366 10.199 -4.909 209 1HD LYS 26 HD2 LYS 26 10.531 10.852 -7.317 210 2HD LYS 26 HD1 LYS 26 12.064 10.994 -6.460 211 1HE LYS 26 HE2 LYS 26 12.976 9.110 -7.512 212 2HE LYS 26 HE1 LYS 26 11.393 8.434 -7.898 213 1HZ LYS 26 HZ1 LYS 26 11.452 10.867 -9.155 214 2HZ LYS 26 HZ2 LYS 26 11.635 9.344 -9.887 215 3HZ LYS 26 HZ3 LYS 26 13.002 10.231 -9.409 216 H LEU 27 HN LEU 27 10.860 5.527 -4.375 217 HA LEU 27 HA LEU 27 12.900 4.482 -2.494 218 1HB LEU 27 HB2 LEU 27 10.335 3.697 -3.071 219 2HB LEU 27 HB1 LEU 27 11.244 2.590 -4.080 220 HG LEU 27 HG LEU 27 10.751 1.660 -1.851 221 1HD1 LEU 27 HD11 LEU 27 13.268 1.216 -1.234 222 2HD1 LEU 27 HD12 LEU 27 13.528 1.977 -2.798 223 3HD1 LEU 27 HD13 LEU 27 12.529 0.545 -2.681 224 1HD2 LEU 27 HD21 LEU 27 11.279 2.634 0.149 225 2HD2 LEU 27 HD22 LEU 27 11.159 4.109 -0.806 226 3HD2 LEU 27 HD23 LEU 27 12.733 3.395 -0.482 227 H LYS 28 HN LYS 28 14.809 3.842 -3.121 228 HA LYS 28 HA LYS 28 15.316 3.128 -5.994 229 1HB LYS 28 HB2 LYS 28 17.555 3.750 -4.077 230 2HB LYS 28 HB1 LYS 28 17.481 3.965 -5.827 231 1HG LYS 28 HG2 LYS 28 15.631 5.721 -5.301 232 2HG LYS 28 HG1 LYS 28 16.283 5.684 -3.664 233 1HD LYS 28 HD2 LYS 28 17.718 6.449 -6.212 234 2HD LYS 28 HD1 LYS 28 17.412 7.450 -4.803 235 1HE LYS 28 HE2 LYS 28 19.649 6.869 -4.479 236 2HE LYS 28 HE1 LYS 28 18.824 5.628 -3.536 237 1HZ LYS 28 HZ1 LYS 28 19.539 4.047 -4.901 238 2HZ LYS 28 HZ2 LYS 28 20.594 5.202 -5.567 239 3HZ LYS 28 HZ3 LYS 28 19.085 4.910 -6.288 240 H LYS 29 HN LYS 29 16.834 1.263 -6.273 241 HA LYS 29 HA LYS 29 16.091 -1.018 -4.817 242 1HB LYS 29 HB2 LYS 29 18.665 -0.434 -6.305 243 2HB LYS 29 HB1 LYS 29 18.261 -2.026 -5.665 244 1HG LYS 29 HG2 LYS 29 16.091 -1.889 -6.982 245 2HG LYS 29 HG1 LYS 29 16.747 -0.452 -7.764 246 1HD LYS 29 HD2 LYS 29 18.075 -3.178 -7.754 247 2HD LYS 29 HD1 LYS 29 17.156 -2.509 -9.099 248 1HE LYS 29 HE2 LYS 29 18.790 -0.488 -8.921 249 2HE LYS 29 HE1 LYS 29 19.803 -1.591 -7.991 250 1HZ LYS 29 HZ1 LYS 29 18.708 -2.334 -10.635 251 2HZ LYS 29 HZ2 LYS 29 20.000 -3.039 -9.789 252 3HZ LYS 29 HZ3 LYS 29 20.176 -1.496 -10.481 253 H SER 30 HN SER 30 18.820 1.182 -4.206 254 HA SER 30 HA SER 30 20.096 -0.239 -2.128 255 1HB SER 30 HB2 SER 30 19.728 2.726 -2.594 256 2HB SER 30 HB1 SER 30 20.691 2.106 -1.258 257 HG SER 30 HG SER 30 21.088 1.211 -3.906 258 H GLU 31 HN GLU 31 17.012 1.218 -2.199 259 HA GLU 31 HA GLU 31 16.787 1.153 0.794 260 1HB GLU 31 HB2 GLU 31 15.162 2.511 -1.352 261 2HB GLU 31 HB1 GLU 31 14.617 2.380 0.323 262 1HG GLU 31 HG2 GLU 31 16.441 3.674 1.119 263 2HG GLU 31 HG1 GLU 31 17.330 3.495 -0.394 264 H LEU 32 HN LEU 32 15.480 -0.165 -2.200 265 HA LEU 32 HA LEU 32 13.402 -1.674 -0.894 266 1HB LEU 32 HB2 LEU 32 13.977 -1.095 -3.514 267 2HB LEU 32 HB1 LEU 32 14.512 -2.768 -3.436 268 HG LEU 32 HG LEU 32 11.769 -1.795 -2.565 269 1HD1 LEU 32 HD11 LEU 32 12.823 -2.869 -5.175 270 2HD1 LEU 32 HD12 LEU 32 11.665 -1.571 -4.886 271 3HD1 LEU 32 HD13 LEU 32 11.168 -3.251 -4.693 272 1HD2 LEU 32 HD21 LEU 32 12.876 -4.585 -2.996 273 2HD2 LEU 32 HD22 LEU 32 11.233 -4.193 -2.501 274 3HD2 LEU 32 HD23 LEU 32 12.585 -3.845 -1.426 275 H LYS 33 HN LYS 33 16.642 -2.571 -2.060 276 HA LYS 33 HA LYS 33 16.493 -5.240 -0.981 277 1HB LYS 33 HB2 LYS 33 17.982 -4.564 -2.835 278 2HB LYS 33 HB1 LYS 33 18.834 -3.475 -1.745 279 1HG LYS 33 HG2 LYS 33 19.048 -5.847 -0.354 280 2HG LYS 33 HG1 LYS 33 19.037 -6.444 -2.013 281 1HD LYS 33 HD2 LYS 33 21.310 -6.032 -1.724 282 2HD LYS 33 HD1 LYS 33 20.786 -4.494 -2.412 283 1HE LYS 33 HE2 LYS 33 20.608 -3.521 -0.163 284 2HE LYS 33 HE1 LYS 33 21.062 -5.067 0.558 285 1HZ LYS 33 HZ1 LYS 33 23.065 -3.984 0.483 286 2HZ LYS 33 HZ2 LYS 33 22.709 -3.169 -0.963 287 3HZ LYS 33 HZ3 LYS 33 23.112 -4.820 -0.993 288 H GLU 34 HN GLU 34 17.678 -2.122 0.170 289 HA GLU 34 HA GLU 34 18.779 -3.254 2.634 290 1HB GLU 34 HB2 GLU 34 19.608 -1.108 1.653 291 2HB GLU 34 HB1 GLU 34 18.067 -0.362 2.092 292 1HG GLU 34 HG2 GLU 34 18.481 -0.954 4.468 293 2HG GLU 34 HG1 GLU 34 20.043 -1.631 4.009 294 H LEU 35 HN LEU 35 15.696 -1.842 1.691 295 HA LEU 35 HA LEU 35 14.731 -1.635 4.417 296 1HB LEU 35 HB2 LEU 35 13.723 -0.261 2.662 297 2HB LEU 35 HB1 LEU 35 13.241 -1.711 1.775 298 HG LEU 35 HG LEU 35 11.746 -2.375 3.597 299 1HD1 LEU 35 HD11 LEU 35 11.368 -0.554 5.405 300 2HD1 LEU 35 HD12 LEU 35 12.963 0.028 4.951 301 3HD1 LEU 35 HD13 LEU 35 12.765 -1.607 5.586 302 1HD2 LEU 35 HD21 LEU 35 11.486 0.463 2.593 303 2HD2 LEU 35 HD22 LEU 35 10.220 -0.337 3.520 304 3HD2 LEU 35 HD23 LEU 35 10.713 -0.991 1.960 305 H ILE 36 HN ILE 36 14.684 -4.086 1.893 306 HA ILE 36 HA ILE 36 12.808 -5.839 3.211 307 HB ILE 36 HB ILE 36 14.878 -6.245 1.042 308 1HG1 ILE 36 HG12 ILE 36 11.861 -6.492 0.981 309 2HG1 ILE 36 HG11 ILE 36 12.710 -4.986 0.632 310 1HG2 ILE 36 HG21 ILE 36 13.717 -8.499 0.727 311 2HG2 ILE 36 HG22 ILE 36 13.052 -8.279 2.346 312 3HG2 ILE 36 HG23 ILE 36 14.799 -8.384 2.114 313 1HD1 ILE 36 HD11 ILE 36 13.878 -6.011 -1.231 314 2HD1 ILE 36 HD12 ILE 36 12.153 -6.323 -1.423 315 3HD1 ILE 36 HD13 ILE 36 13.221 -7.594 -0.823 316 H ASN 37 HN ASN 37 16.325 -5.492 3.240 317 HA ASN 37 HA ASN 37 16.723 -7.839 4.925 318 1HB ASN 37 HB2 ASN 37 18.676 -5.574 4.459 319 2HB ASN 37 HB1 ASN 37 19.043 -7.242 4.901 320 1HD2 ASN 37 HD21 ASN 37 20.135 -6.004 2.523 321 2HD2 ASN 37 HD22 ASN 37 19.485 -6.808 1.177 322 H ASN 38 HN ASN 38 16.028 -4.483 5.450 323 HA ASN 38 HA ASN 38 16.921 -4.586 8.273 324 1HB ASN 38 HB2 ASN 38 17.201 -2.546 6.768 325 2HB ASN 38 HB1 ASN 38 15.461 -2.313 6.921 326 1HD2 ASN 38 HD21 ASN 38 17.799 -0.672 8.024 327 2HD2 ASN 38 HD22 ASN 38 17.486 -0.557 9.688 328 H GLU 39 HN GLU 39 13.791 -4.202 6.552 329 HA GLU 39 HA GLU 39 12.418 -4.646 9.197 330 1HB GLU 39 HB2 GLU 39 11.388 -3.423 6.624 331 2HB GLU 39 HB1 GLU 39 10.437 -3.655 8.092 332 1HG GLU 39 HG2 GLU 39 13.009 -2.060 7.999 333 2HG GLU 39 HG1 GLU 39 11.410 -1.337 7.837 334 H LEU 40 HN LEU 40 11.745 -5.375 5.738 335 HA LEU 40 HA LEU 40 10.104 -7.645 6.527 336 1HB LEU 40 HB2 LEU 40 11.131 -7.325 3.722 337 2HB LEU 40 HB1 LEU 40 9.551 -7.864 4.278 338 HG LEU 40 HG LEU 40 10.611 -5.022 4.400 339 1HD1 LEU 40 HD11 LEU 40 8.990 -4.539 2.694 340 2HD1 LEU 40 HD12 LEU 40 8.288 -6.152 2.824 341 3HD1 LEU 40 HD13 LEU 40 9.906 -5.947 2.155 342 1HD2 LEU 40 HD21 LEU 40 7.866 -4.940 4.904 343 2HD2 LEU 40 HD22 LEU 40 9.132 -4.784 6.121 344 3HD2 LEU 40 HD23 LEU 40 8.389 -6.351 5.815 345 H SER 41 HN SER 41 12.899 -7.732 7.464 346 HA SER 41 HA SER 41 14.103 -9.914 5.881 347 1HB SER 41 HB2 SER 41 15.638 -8.372 6.916 348 2HB SER 41 HB1 SER 41 14.867 -8.564 8.485 349 HG SER 41 HG SER 41 15.804 -10.468 8.722 350 H HIS 42 HN HIS 42 11.920 -9.502 8.529 351 HA HIS 42 HA HIS 42 12.363 -12.237 9.576 352 1HB HIS 42 HB2 HIS 42 10.510 -9.978 10.376 353 2HB HIS 42 HB1 HIS 42 10.473 -11.571 11.133 354 HD1 HIS 42 HD1 HIS 42 13.634 -9.785 10.052 355 HD2 HIS 42 HD2 HIS 42 11.671 -10.859 13.574 356 HE1 HIS 42 HE1 HIS 42 15.234 -9.275 11.951 357 HE2 HIS 42 HE2 HIS 42 14.048 -9.925 14.097 358 H PHE 43 HN PHE 43 10.311 -10.538 7.366 359 HA PHE 43 HA PHE 43 8.426 -12.870 7.237 360 1HB PHE 43 HB2 PHE 43 8.158 -9.940 6.539 361 2HB PHE 43 HB1 PHE 43 7.072 -11.135 5.828 362 HD1 PHE 43 HD1 PHE 43 5.089 -11.605 6.985 363 HD2 PHE 43 HD2 PHE 43 8.520 -10.247 9.182 364 HE1 PHE 43 HE1 PHE 43 3.760 -11.635 9.077 365 HE2 PHE 43 HE2 PHE 43 7.192 -10.280 11.278 366 HZ PHE 43 HZ PHE 43 4.811 -10.973 11.223 367 H LEU 44 HN LEU 44 10.641 -10.831 5.404 368 HA LEU 44 HA LEU 44 10.332 -12.665 3.048 369 1HB LEU 44 HB2 LEU 44 10.459 -9.765 3.283 370 2HB LEU 44 HB1 LEU 44 11.761 -10.339 2.253 371 HG LEU 44 HG LEU 44 10.024 -11.647 0.951 372 1HD1 LEU 44 HD11 LEU 44 7.677 -11.013 1.236 373 2HD1 LEU 44 HD12 LEU 44 8.109 -9.907 2.540 374 3HD1 LEU 44 HD13 LEU 44 8.291 -11.645 2.761 375 1HD2 LEU 44 HD21 LEU 44 10.821 -9.589 0.012 376 2HD2 LEU 44 HD22 LEU 44 9.897 -8.627 1.165 377 3HD2 LEU 44 HD23 LEU 44 9.062 -9.519 -0.107 378 H GLU 45 HN GLU 45 12.094 -13.927 2.581 379 HA GLU 45 HA GLU 45 14.322 -14.160 4.278 380 1HB GLU 45 HB2 GLU 45 15.458 -15.213 2.218 381 2HB GLU 45 HB1 GLU 45 13.948 -15.942 2.758 382 1HG GLU 45 HG2 GLU 45 12.700 -14.728 1.048 383 2HG GLU 45 HG1 GLU 45 14.162 -13.872 0.553 384 H GLU 46 HN GLU 46 16.374 -13.180 4.349 385 HA GLU 46 HA GLU 46 16.628 -10.528 3.300 386 1HB GLU 46 HB2 GLU 46 17.886 -11.386 5.289 387 2HB GLU 46 HB1 GLU 46 18.873 -12.364 4.202 388 1HG GLU 46 HG2 GLU 46 19.741 -10.409 3.097 389 2HG GLU 46 HG1 GLU 46 18.583 -9.364 3.917 390 H ILE 47 HN ILE 47 16.557 -10.293 1.071 391 HA ILE 47 HA ILE 47 17.686 -12.204 -0.749 392 HB ILE 47 HB ILE 47 17.213 -10.643 -2.497 393 1HG1 ILE 47 HG12 ILE 47 17.227 -8.528 -0.316 394 2HG1 ILE 47 HG11 ILE 47 18.326 -8.650 -1.688 395 1HG2 ILE 47 HG21 ILE 47 15.176 -9.983 -0.365 396 2HG2 ILE 47 HG22 ILE 47 15.263 -11.568 -1.133 397 3HG2 ILE 47 HG23 ILE 47 14.922 -10.133 -2.105 398 1HD1 ILE 47 HD11 ILE 47 15.436 -7.823 -1.663 399 2HD1 ILE 47 HD12 ILE 47 16.144 -8.497 -3.131 400 3HD1 ILE 47 HD13 ILE 47 16.810 -7.027 -2.426 401 H LYS 48 HN LYS 48 19.722 -12.415 -1.512 402 HA LYS 48 HA LYS 48 21.794 -10.455 -0.586 403 1HB LYS 48 HB2 LYS 48 22.000 -13.346 -1.497 404 2HB LYS 48 HB1 LYS 48 23.383 -12.327 -1.080 405 1HG LYS 48 HG2 LYS 48 22.593 -12.063 1.186 406 2HG LYS 48 HG1 LYS 48 21.072 -12.865 0.801 407 1HD LYS 48 HD2 LYS 48 22.252 -14.961 0.350 408 2HD LYS 48 HD1 LYS 48 23.802 -14.173 0.643 409 1HE LYS 48 HE2 LYS 48 21.584 -14.365 2.701 410 2HE LYS 48 HE1 LYS 48 22.955 -15.473 2.616 411 1HZ LYS 48 HZ1 LYS 48 23.149 -13.483 4.164 412 2HZ LYS 48 HZ2 LYS 48 23.340 -12.548 2.759 413 3HZ LYS 48 HZ3 LYS 48 24.451 -13.781 3.119 414 H GLU 49 HN GLU 49 20.028 -11.548 -3.255 415 HA GLU 49 HA GLU 49 21.944 -10.263 -5.179 416 1HB GLU 49 HB2 GLU 49 19.971 -12.464 -5.844 417 2HB GLU 49 HB1 GLU 49 21.253 -11.824 -6.870 418 1HG GLU 49 HG2 GLU 49 22.963 -12.768 -5.463 419 2HG GLU 49 HG1 GLU 49 21.788 -13.204 -4.223 420 H GLN 50 HN GLN 50 21.097 -8.450 -6.024 421 HA GLN 50 HA GLN 50 18.458 -7.542 -5.522 422 1HB GLN 50 HB2 GLN 50 18.973 -5.884 -7.370 423 2HB GLN 50 HB1 GLN 50 20.175 -5.951 -6.083 424 1HG GLN 50 HG2 GLN 50 21.555 -7.474 -7.460 425 2HG GLN 50 HG1 GLN 50 20.359 -7.378 -8.752 426 1HE2 GLN 50 HE21 GLN 50 19.767 -4.524 -8.382 427 2HE2 GLN 50 HE22 GLN 50 21.130 -3.665 -8.919 428 H GLU 51 HN GLU 51 19.624 -9.795 -7.847 429 HA GLU 51 HA GLU 51 18.041 -9.523 -10.053 430 1HB GLU 51 HB2 GLU 51 19.679 -11.375 -9.609 431 2HB GLU 51 HB1 GLU 51 18.439 -12.156 -8.629 432 1HG GLU 51 HG2 GLU 51 16.934 -12.224 -10.586 433 2HG GLU 51 HG1 GLU 51 18.185 -11.458 -11.570 434 H VAL 52 HN VAL 52 16.910 -10.793 -6.922 435 HA VAL 52 HA VAL 52 14.254 -11.308 -8.017 436 HB VAL 52 HB VAL 52 14.820 -12.651 -6.123 437 1HG1 VAL 52 HG11 VAL 52 16.686 -11.444 -5.243 438 2HG1 VAL 52 HG12 VAL 52 15.500 -11.543 -3.943 439 3HG1 VAL 52 HG13 VAL 52 15.686 -10.046 -4.854 440 1HG2 VAL 52 HG21 VAL 52 13.150 -10.413 -4.935 441 2HG2 VAL 52 HG22 VAL 52 13.131 -12.117 -4.486 442 3HG2 VAL 52 HG23 VAL 52 12.508 -11.615 -6.057 443 H VAL 53 HN VAL 53 15.894 -8.730 -6.269 444 HA VAL 53 HA VAL 53 13.538 -7.144 -5.914 445 HB VAL 53 HB VAL 53 16.241 -6.936 -5.177 446 1HG1 VAL 53 HG11 VAL 53 16.664 -5.760 -7.382 447 2HG1 VAL 53 HG12 VAL 53 17.042 -4.785 -5.965 448 3HG1 VAL 53 HG13 VAL 53 15.548 -4.504 -6.858 449 1HG2 VAL 53 HG21 VAL 53 15.538 -4.933 -3.952 450 2HG2 VAL 53 HG22 VAL 53 14.301 -6.189 -3.869 451 3HG2 VAL 53 HG23 VAL 53 14.094 -4.818 -4.959 452 H ASP 54 HN ASP 54 15.601 -7.903 -8.570 453 HA ASP 54 HA ASP 54 14.689 -5.690 -10.260 454 1HB ASP 54 HB2 ASP 54 16.898 -6.929 -10.563 455 2HB ASP 54 HB1 ASP 54 15.955 -8.290 -11.171 456 H LYS 55 HN LYS 55 13.833 -9.027 -9.600 457 HA LYS 55 HA LYS 55 11.863 -9.226 -11.738 458 1HB LYS 55 HB2 LYS 55 12.980 -11.201 -10.631 459 2HB LYS 55 HB1 LYS 55 12.042 -10.848 -9.183 460 1HG LYS 55 HG2 LYS 55 10.066 -10.883 -11.145 461 2HG LYS 55 HG1 LYS 55 11.178 -12.120 -11.722 462 1HD LYS 55 HD2 LYS 55 9.752 -13.343 -10.324 463 2HD LYS 55 HD1 LYS 55 11.108 -12.992 -9.253 464 1HE LYS 55 HE2 LYS 55 9.896 -11.087 -8.299 465 2HE LYS 55 HE1 LYS 55 8.556 -11.359 -9.415 466 1HZ LYS 55 HZ1 LYS 55 8.257 -13.559 -8.436 467 2HZ LYS 55 HZ2 LYS 55 8.084 -12.333 -7.273 468 3HZ LYS 55 HZ3 LYS 55 9.512 -13.251 -7.338 469 H VAL 56 HN VAL 56 11.569 -8.925 -8.181 470 HA VAL 56 HA VAL 56 8.779 -8.559 -8.073 471 HB VAL 56 HB VAL 56 10.525 -8.713 -6.127 472 1HG1 VAL 56 HG11 VAL 56 11.604 -6.507 -6.892 473 2HG1 VAL 56 HG12 VAL 56 11.282 -6.675 -5.171 474 3HG1 VAL 56 HG13 VAL 56 10.209 -5.708 -6.181 475 1HG2 VAL 56 HG21 VAL 56 8.006 -7.037 -6.108 476 2HG2 VAL 56 HG22 VAL 56 8.892 -7.402 -4.627 477 3HG2 VAL 56 HG23 VAL 56 8.208 -8.712 -5.589 478 H MET 57 HN MET 57 11.334 -6.163 -8.628 479 HA MET 57 HA MET 57 9.612 -3.881 -8.800 480 1HB MET 57 HB2 MET 57 12.291 -4.466 -10.096 481 2HB MET 57 HB1 MET 57 11.500 -2.891 -10.149 482 1HG MET 57 HG2 MET 57 11.866 -4.200 -7.469 483 2HG MET 57 HG1 MET 57 13.264 -3.448 -8.239 484 1HE MET 57 HE1 MET 57 13.318 -1.063 -9.145 485 2HE MET 57 HE2 MET 57 13.893 -1.219 -7.483 486 3HE MET 57 HE3 MET 57 12.892 0.160 -7.938 487 H GLU 58 HN GLU 58 10.372 -6.466 -11.026 488 HA GLU 58 HA GLU 58 9.386 -5.192 -13.423 489 1HB GLU 58 HB2 GLU 58 10.792 -7.385 -13.165 490 2HB GLU 58 HB1 GLU 58 9.236 -8.171 -12.907 491 1HG GLU 58 HG2 GLU 58 9.646 -8.348 -15.250 492 2HG GLU 58 HG1 GLU 58 8.480 -7.034 -15.084 493 H THR 59 HN THR 59 7.949 -7.138 -10.868 494 HA THR 59 HA THR 59 5.307 -7.169 -12.110 495 HB THR 59 HB THR 59 6.167 -7.861 -9.291 496 HG1 THR 59 HG1 THR 59 5.526 -9.709 -11.294 497 1HG2 THR 59 HG21 THR 59 4.021 -9.231 -9.408 498 2HG2 THR 59 HG22 THR 59 3.623 -8.310 -10.859 499 3HG2 THR 59 HG23 THR 59 3.805 -7.484 -9.314 500 H LEU 60 HN LEU 60 7.045 -5.145 -9.825 501 HA LEU 60 HA LEU 60 4.524 -3.693 -9.137 502 1HB LEU 60 HB2 LEU 60 7.269 -3.871 -7.953 503 2HB LEU 60 HB1 LEU 60 6.343 -2.402 -7.660 504 HG LEU 60 HG LEU 60 6.055 -4.128 -5.892 505 1HD1 LEU 60 HD11 LEU 60 3.832 -3.609 -5.536 506 2HD1 LEU 60 HD12 LEU 60 3.358 -3.932 -7.200 507 3HD1 LEU 60 HD13 LEU 60 4.191 -2.432 -6.794 508 1HD2 LEU 60 HD21 LEU 60 6.222 -6.085 -7.462 509 2HD2 LEU 60 HD22 LEU 60 4.591 -5.712 -8.020 510 3HD2 LEU 60 HD23 LEU 60 4.861 -6.183 -6.345 511 H ASP 61 HN ASP 61 7.769 -2.965 -10.598 512 HA ASP 61 HA ASP 61 7.311 -0.209 -11.004 513 1HB ASP 61 HB2 ASP 61 9.441 -1.507 -11.390 514 2HB ASP 61 HB1 ASP 61 8.733 -2.093 -12.895 515 H GLU 62 HN GLU 62 5.303 0.328 -11.670 516 HA GLU 62 HA GLU 62 4.112 -0.995 -14.033 517 1HB GLU 62 HB2 GLU 62 2.143 0.413 -13.547 518 2HB GLU 62 HB1 GLU 62 2.656 -0.467 -12.107 519 1HG GLU 62 HG2 GLU 62 3.969 1.576 -11.426 520 2HG GLU 62 HG1 GLU 62 3.209 2.437 -12.765 521 H ASP 63 HN ASP 63 5.430 2.132 -13.050 522 HA ASP 63 HA ASP 63 4.898 3.329 -15.659 523 1HB ASP 63 HB2 ASP 63 6.629 5.051 -14.759 524 2HB ASP 63 HB1 ASP 63 5.085 4.930 -13.916 525 H GLY 64 HN GLY 64 6.956 0.958 -14.526 526 1HA GLY 64 HA2 GLY 64 8.876 -0.042 -15.455 527 2HA GLY 64 HA1 GLY 64 8.413 0.742 -16.968 528 H ASP 65 HN ASP 65 9.318 2.153 -13.833 529 HA ASP 65 HA ASP 65 11.347 3.826 -15.272 530 1HB ASP 65 HB2 ASP 65 11.138 5.346 -13.367 531 2HB ASP 65 HB1 ASP 65 9.541 4.990 -14.026 532 H GLY 66 HN GLY 66 11.187 1.066 -13.359 533 1HA GLY 66 HA2 GLY 66 13.003 -0.150 -12.427 534 2HA GLY 66 HA1 GLY 66 14.075 1.181 -12.873 535 H GLU 67 HN GLU 67 11.606 2.666 -11.419 536 HA GLU 67 HA GLU 67 12.771 2.445 -8.659 537 1HB GLU 67 HB2 GLU 67 11.682 4.881 -10.105 538 2HB GLU 67 HB1 GLU 67 12.115 4.845 -8.397 539 1HG GLU 67 HG2 GLU 67 14.424 4.377 -8.907 540 2HG GLU 67 HG1 GLU 67 14.051 4.117 -10.611 541 H CYS 68 HN CYS 68 11.107 3.106 -6.975 542 HA CYS 68 HA CYS 68 8.330 2.332 -7.836 543 1HB CYS 68 HB2 CYS 68 10.030 1.335 -5.569 544 2HB CYS 68 HB1 CYS 68 8.276 1.341 -5.399 545 HG CYS 68 HG CYS 68 8.082 -0.465 -7.132 546 H ASP 69 HN ASP 69 7.640 4.511 -7.870 547 HA ASP 69 HA ASP 69 8.114 6.473 -5.909 548 1HB ASP 69 HB2 ASP 69 5.394 6.151 -7.191 549 2HB ASP 69 HB1 ASP 69 6.224 7.638 -6.736 550 H PHE 70 HN PHE 70 5.916 7.244 -4.536 551 HA PHE 70 HA PHE 70 5.746 5.311 -2.408 552 1HB PHE 70 HB2 PHE 70 3.810 6.996 -1.705 553 2HB PHE 70 HB1 PHE 70 5.498 7.461 -1.584 554 HD1 PHE 70 HD1 PHE 70 6.275 9.373 -2.697 555 HD2 PHE 70 HD2 PHE 70 2.606 7.540 -3.959 556 HE1 PHE 70 HE1 PHE 70 5.892 11.236 -4.288 557 HE2 PHE 70 HE2 PHE 70 2.226 9.395 -5.555 558 HZ PHE 70 HZ PHE 70 3.867 11.245 -5.718 559 H GLN 71 HN GLN 71 3.731 6.029 -5.170 560 HA GLN 71 HA GLN 71 1.350 4.799 -4.209 561 1HB GLN 71 HB2 GLN 71 1.390 6.393 -6.092 562 2HB GLN 71 HB1 GLN 71 2.244 5.198 -7.071 563 1HG GLN 71 HG2 GLN 71 0.358 3.646 -6.853 564 2HG GLN 71 HG1 GLN 71 -0.487 4.804 -5.822 565 1HE2 GLN 71 HE21 GLN 71 -0.958 6.999 -6.895 566 2HE2 GLN 71 HE22 GLN 71 -1.288 7.007 -8.561 567 H GLU 72 HN GLU 72 3.995 3.458 -6.248 568 HA GLU 72 HA GLU 72 2.645 0.824 -6.129 569 1HB GLU 72 HB2 GLU 72 4.354 0.068 -7.674 570 2HB GLU 72 HB1 GLU 72 3.656 1.576 -8.259 571 1HG GLU 72 HG2 GLU 72 5.790 2.471 -6.692 572 2HG GLU 72 HG1 GLU 72 6.438 0.996 -7.411 573 H PHE 73 HN PHE 73 5.435 2.536 -4.811 574 HA PHE 73 HA PHE 73 6.849 0.374 -3.720 575 1HB PHE 73 HB2 PHE 73 7.793 2.560 -3.449 576 2HB PHE 73 HB1 PHE 73 6.345 3.140 -2.640 577 HD1 PHE 73 HD1 PHE 73 6.688 3.562 -0.379 578 HD2 PHE 73 HD2 PHE 73 8.598 0.168 -2.195 579 HE1 PHE 73 HE1 PHE 73 7.622 2.917 1.816 580 HE2 PHE 73 HE2 PHE 73 9.532 -0.477 0.005 581 HZ PHE 73 HZ PHE 73 9.037 0.902 2.007 582 H MET 74 HN MET 74 4.005 2.052 -2.362 583 HA MET 74 HA MET 74 3.951 0.341 -0.052 584 1HB MET 74 HB2 MET 74 2.634 2.606 -0.604 585 2HB MET 74 HB1 MET 74 1.419 1.487 -1.211 586 1HG MET 74 HG2 MET 74 1.078 0.516 0.913 587 2HG MET 74 HG1 MET 74 2.603 1.127 1.549 588 1HE MET 74 HE1 MET 74 -0.015 1.130 2.922 589 2HE MET 74 HE2 MET 74 -1.166 1.679 1.709 590 3HE MET 74 HE3 MET 74 -0.850 2.672 3.129 591 H ALA 75 HN ALA 75 2.480 0.286 -3.244 592 HA ALA 75 HA ALA 75 0.876 -2.026 -2.958 593 1HB ALA 75 HB1 ALA 75 2.543 -1.524 -5.427 594 2HB ALA 75 HB2 ALA 75 1.124 -0.558 -5.038 595 3HB ALA 75 HB3 ALA 75 0.962 -2.290 -5.323 596 H PHE 76 HN PHE 76 4.345 -1.778 -2.955 597 HA PHE 76 HA PHE 76 4.830 -4.574 -3.572 598 1HB PHE 76 HB2 PHE 76 6.747 -3.177 -3.811 599 2HB PHE 76 HB1 PHE 76 6.513 -2.458 -2.229 600 HD1 PHE 76 HD1 PHE 76 6.605 -6.041 -3.367 601 HD2 PHE 76 HD2 PHE 76 8.320 -3.000 -0.858 602 HE1 PHE 76 HE1 PHE 76 8.121 -7.722 -2.356 603 HE2 PHE 76 HE2 PHE 76 9.829 -4.681 0.149 604 HZ PHE 76 HZ PHE 76 9.734 -7.041 -0.596 605 H VAL 77 HN VAL 77 4.708 -2.767 -0.464 606 HA VAL 77 HA VAL 77 4.921 -5.084 1.186 607 HB VAL 77 HB VAL 77 3.383 -2.519 1.707 608 1HG1 VAL 77 HG11 VAL 77 3.757 -3.209 4.116 609 2HG1 VAL 77 HG12 VAL 77 4.263 -4.786 3.506 610 3HG1 VAL 77 HG13 VAL 77 2.618 -4.224 3.232 611 1HG2 VAL 77 HG21 VAL 77 5.856 -2.320 1.246 612 2HG2 VAL 77 HG22 VAL 77 6.132 -3.370 2.635 613 3HG2 VAL 77 HG23 VAL 77 5.373 -1.795 2.860 614 H SER 78 HN SER 78 2.232 -3.685 -0.553 615 HA SER 78 HA SER 78 0.133 -5.192 0.681 616 1HB SER 78 HB2 SER 78 -1.212 -4.368 -1.045 617 2HB SER 78 HB1 SER 78 0.092 -3.182 -1.036 618 HG SER 78 HG SER 78 1.010 -5.022 -2.538 619 H MET 79 HN MET 79 2.500 -5.838 -1.801 620 HA MET 79 HA MET 79 1.268 -8.300 -2.696 621 1HB MET 79 HB2 MET 79 2.759 -6.979 -4.161 622 2HB MET 79 HB1 MET 79 4.106 -7.315 -3.077 623 1HG MET 79 HG2 MET 79 4.308 -9.505 -3.785 624 2HG MET 79 HG1 MET 79 2.574 -9.695 -4.046 625 1HE MET 79 HE1 MET 79 5.773 -9.817 -5.790 626 2HE MET 79 HE2 MET 79 5.856 -8.140 -5.253 627 3HE MET 79 HE3 MET 79 5.800 -8.505 -6.977 628 H VAL 80 HN VAL 80 3.643 -7.404 -0.267 629 HA VAL 80 HA VAL 80 4.266 -10.237 0.276 630 HB VAL 80 HB VAL 80 5.953 -9.521 1.719 631 1HG1 VAL 80 HG11 VAL 80 5.698 -6.997 0.094 632 2HG1 VAL 80 HG12 VAL 80 6.159 -8.534 -0.634 633 3HG1 VAL 80 HG13 VAL 80 7.168 -7.813 0.621 634 1HG2 VAL 80 HG21 VAL 80 4.803 -8.327 3.390 635 2HG2 VAL 80 HG22 VAL 80 4.227 -7.123 2.253 636 3HG2 VAL 80 HG23 VAL 80 5.919 -7.140 2.718 637 H THR 81 HN THR 81 2.272 -7.570 1.431 638 HA THR 81 HA THR 81 1.421 -8.899 3.849 639 HB THR 81 HB THR 81 -0.174 -6.919 2.195 640 HG1 THR 81 HG1 THR 81 1.771 -5.969 2.571 641 1HG2 THR 81 HG21 THR 81 -0.249 -7.874 5.052 642 2HG2 THR 81 HG22 THR 81 -1.568 -7.732 3.892 643 3HG2 THR 81 HG23 THR 81 -0.873 -6.286 4.618 644 H THR 82 HN THR 82 0.290 -8.824 0.456 645 HA THR 82 HA THR 82 -2.138 -10.233 0.907 646 HB THR 82 HB THR 82 -1.720 -10.941 -1.558 647 HG1 THR 82 HG1 THR 82 0.436 -9.180 -1.039 648 1HG2 THR 82 HG21 THR 82 -2.090 -8.185 -0.415 649 2HG2 THR 82 HG22 THR 82 -3.177 -9.144 -1.419 650 3HG2 THR 82 HG23 THR 82 -1.801 -8.316 -2.154 651 H ALA 83 HN ALA 83 1.217 -11.441 0.424 652 HA ALA 83 HA ALA 83 0.424 -14.202 0.245 653 1HB ALA 83 HB1 ALA 83 2.707 -13.138 -0.371 654 2HB ALA 83 HB2 ALA 83 2.742 -14.701 0.443 655 3HB ALA 83 HB3 ALA 83 3.065 -13.225 1.353 656 H CYS 84 HN CYS 84 1.556 -12.113 2.899 657 HA CYS 84 HA CYS 84 1.517 -14.008 4.989 658 1HB CYS 84 HB2 CYS 84 2.346 -11.746 5.366 659 2HB CYS 84 HB1 CYS 84 0.750 -11.071 5.034 660 HG CYS 84 HG CYS 84 0.995 -11.306 7.635 661 H HIS 85 HN HIS 85 -1.101 -12.172 3.499 662 HA HIS 85 HA HIS 85 -3.146 -13.118 5.331 663 1HB HIS 85 HB2 HIS 85 -3.390 -11.031 4.008 664 2HB HIS 85 HB1 HIS 85 -3.409 -11.983 2.528 665 HD1 HIS 85 HD1 HIS 85 -5.237 -12.486 5.845 666 HD2 HIS 85 HD2 HIS 85 -6.060 -12.100 1.777 667 HE1 HIS 85 HE1 HIS 85 -7.739 -12.786 5.589 668 H GLU 86 HN GLU 86 -1.690 -14.230 2.359 669 HA GLU 86 HA GLU 86 -3.731 -16.211 1.771 670 1HB GLU 86 HB2 GLU 86 -2.219 -15.255 0.039 671 2HB GLU 86 HB1 GLU 86 -0.859 -16.066 0.815 672 1HG GLU 86 HG2 GLU 86 -1.754 -18.230 0.327 673 2HG GLU 86 HG1 GLU 86 -3.310 -17.548 -0.153 674 H PHE 87 HN PHE 87 -0.442 -16.391 3.173 675 HA PHE 87 HA PHE 87 -0.393 -19.173 3.666 676 1HB PHE 87 HB2 PHE 87 0.843 -16.829 5.118 677 2HB PHE 87 HB1 PHE 87 1.053 -18.470 5.724 678 HD1 PHE 87 HD1 PHE 87 1.824 -20.258 3.957 679 HD2 PHE 87 HD2 PHE 87 2.331 -16.019 3.482 680 HE1 PHE 87 HE1 PHE 87 3.622 -20.659 2.298 681 HE2 PHE 87 HE2 PHE 87 4.131 -16.420 1.823 682 HZ PHE 87 HZ PHE 87 4.775 -18.741 1.231 683 H PHE 88 HN PHE 88 -1.537 -16.580 5.878 684 HA PHE 88 HA PHE 88 -2.500 -18.368 7.891 685 1HB PHE 88 HB2 PHE 88 -2.190 -15.829 8.083 686 2HB PHE 88 HB1 PHE 88 -3.738 -15.682 7.248 687 HD1 PHE 88 HD1 PHE 88 -2.138 -17.397 10.168 688 HD2 PHE 88 HD2 PHE 88 -5.743 -15.780 8.484 689 HE1 PHE 88 HE1 PHE 88 -3.324 -17.813 12.306 690 HE2 PHE 88 HE2 PHE 88 -6.928 -16.191 10.623 691 HZ PHE 88 HZ PHE 88 -5.719 -17.210 12.534 692 H GLU 89 HN GLU 89 -4.479 -16.504 5.552 693 HA GLU 89 HA GLU 89 -6.699 -18.392 5.897 694 1HB GLU 89 HB2 GLU 89 -6.833 -15.822 5.497 695 2HB GLU 89 HB1 GLU 89 -6.562 -16.222 3.802 696 1HG GLU 89 HG2 GLU 89 -8.511 -17.798 3.924 697 2HG GLU 89 HG1 GLU 89 -8.820 -17.222 5.562 698 H HIS 90 HN HIS 90 -4.519 -19.788 4.939 699 HA HIS 90 HA HIS 90 -4.480 -19.953 2.055 700 1HB HIS 90 HB2 HIS 90 -2.663 -20.775 3.630 701 2HB HIS 90 HB1 HIS 90 -3.722 -22.131 4.017 702 HD1 HIS 90 HD1 HIS 90 -2.683 -24.070 2.811 703 HD2 HIS 90 HD2 HIS 90 -2.978 -20.699 0.369 704 HE1 HIS 90 HE1 HIS 90 -1.957 -24.797 0.493 705 HE2 HIS 90 HE2 HIS 90 -2.133 -22.754 -1.000 706 H GLU 91 HN GLU 91 -6.508 -20.321 1.174 707 HA GLU 91 HA GLU 91 -8.421 -22.177 2.302 708 1HB GLU 91 HB2 GLU 91 -8.210 -20.906 -0.443 709 2HB GLU 91 HB1 GLU 91 -9.580 -21.886 0.084 710 1HG GLU 91 HG2 GLU 91 -9.999 -20.330 1.942 711 2HG GLU 91 HG1 GLU 91 -8.608 -19.358 1.455 712 1H MET 0 HT1 MET 0 10.691 -3.832 17.868 713 2H MET 0 HT2 MET 0 11.647 -4.064 16.482 714 3H MET 0 HT3 MET 0 10.013 -4.529 16.478 715 HA MET 0 HA MET 0 9.443 -2.125 16.875 716 1HB MET 0 HB2 MET 0 11.889 -1.665 17.549 717 2HB MET 0 HB1 MET 0 12.241 -1.675 15.821 718 1HG MET 0 HG2 MET 0 10.549 0.098 15.474 719 2HG MET 0 HG1 MET 0 10.225 0.122 17.206 720 1HE MET 0 HE1 MET 0 11.797 1.826 14.494 721 2HE MET 0 HE2 MET 0 12.659 3.071 15.393 722 3HE MET 0 HE3 MET 0 10.958 2.767 15.735 723 H SER 1 HN SER 1 8.829 -4.137 15.113 724 HA SER 1 HA SER 1 9.674 -3.333 12.402 725 1HB SER 1 HB2 SER 1 7.867 -5.179 11.855 726 2HB SER 1 HB1 SER 1 9.447 -5.640 12.473 727 HG SER 1 HG SER 1 7.013 -5.342 13.909 728 H GLU 2 HN GLU 2 8.790 -1.217 12.427 729 HA GLU 2 HA GLU 2 6.050 -0.560 12.899 730 1HB GLU 2 HB2 GLU 2 8.109 0.715 11.084 731 2HB GLU 2 HB1 GLU 2 6.525 1.426 11.398 732 1HG GLU 2 HG2 GLU 2 7.007 1.717 13.710 733 2HG GLU 2 HG1 GLU 2 8.408 0.647 13.635 734 H LEU 3 HN LEU 3 7.668 -1.965 10.123 735 HA LEU 3 HA LEU 3 5.474 -1.533 8.285 736 1HB LEU 3 HB2 LEU 3 8.128 -2.783 8.228 737 2HB LEU 3 HB1 LEU 3 6.965 -3.733 7.312 738 HG LEU 3 HG LEU 3 7.214 -0.746 6.934 739 1HD1 LEU 3 HD11 LEU 3 8.557 -2.762 5.140 740 2HD1 LEU 3 HD12 LEU 3 9.414 -2.038 6.494 741 3HD1 LEU 3 HD13 LEU 3 8.789 -1.024 5.199 742 1HD2 LEU 3 HD21 LEU 3 5.913 -1.063 5.013 743 2HD2 LEU 3 HD22 LEU 3 5.217 -2.256 6.106 744 3HD2 LEU 3 HD23 LEU 3 6.359 -2.762 4.867 745 H GLU 4 HN GLU 4 6.160 -4.000 10.693 746 HA GLU 4 HA GLU 4 4.328 -5.948 9.548 747 1HB GLU 4 HB2 GLU 4 5.627 -5.673 12.262 748 2HB GLU 4 HB1 GLU 4 4.476 -6.960 11.900 749 1HG GLU 4 HG2 GLU 4 5.864 -7.857 10.183 750 2HG GLU 4 HG1 GLU 4 6.904 -6.436 10.183 751 H LYS 5 HN LYS 5 4.072 -3.281 11.825 752 HA LYS 5 HA LYS 5 1.499 -3.966 12.892 753 1HB LYS 5 HB2 LYS 5 3.196 -1.500 12.712 754 2HB LYS 5 HB1 LYS 5 1.485 -1.258 13.059 755 1HG LYS 5 HG2 LYS 5 1.592 -2.396 15.091 756 2HG LYS 5 HG1 LYS 5 3.000 -3.337 14.617 757 1HD LYS 5 HD2 LYS 5 3.376 -0.367 14.802 758 2HD LYS 5 HD1 LYS 5 3.164 -1.231 16.321 759 1HE LYS 5 HE2 LYS 5 5.115 -2.333 14.315 760 2HE LYS 5 HE1 LYS 5 5.588 -0.937 15.284 761 1HZ LYS 5 HZ1 LYS 5 4.834 -2.256 17.264 762 2HZ LYS 5 HZ2 LYS 5 6.232 -2.836 16.490 763 3HZ LYS 5 HZ3 LYS 5 4.738 -3.607 16.243 764 H ALA 6 HN ALA 6 2.524 -2.044 10.106 765 HA ALA 6 HA ALA 6 -0.094 -1.259 9.286 766 1HB ALA 6 HB1 ALA 6 2.388 -1.696 7.608 767 2HB ALA 6 HB2 ALA 6 1.934 -0.187 8.394 768 3HB ALA 6 HB3 ALA 6 0.951 -0.826 7.081 769 H MET 7 HN MET 7 1.935 -3.956 8.161 770 HA MET 7 HA MET 7 0.107 -5.042 6.333 771 1HB MET 7 HB2 MET 7 1.946 -6.558 8.212 772 2HB MET 7 HB1 MET 7 1.195 -7.231 6.770 773 1HG MET 7 HG2 MET 7 2.429 -5.774 5.340 774 2HG MET 7 HG1 MET 7 2.968 -4.794 6.692 775 1HE MET 7 HE1 MET 7 5.027 -4.803 5.695 776 2HE MET 7 HE2 MET 7 5.683 -6.199 4.838 777 3HE MET 7 HE3 MET 7 6.287 -5.786 6.439 778 H VAL 8 HN VAL 8 0.326 -5.530 9.848 779 HA VAL 8 HA VAL 8 -1.872 -7.420 9.899 780 HB VAL 8 HB VAL 8 -0.569 -5.751 12.064 781 1HG1 VAL 8 HG11 VAL 8 -1.752 -7.456 13.585 782 2HG1 VAL 8 HG12 VAL 8 -2.792 -7.795 12.201 783 3HG1 VAL 8 HG13 VAL 8 -2.753 -6.175 12.897 784 1HG2 VAL 8 HG21 VAL 8 -0.457 -8.722 11.457 785 2HG2 VAL 8 HG22 VAL 8 0.482 -7.858 12.676 786 3HG2 VAL 8 HG23 VAL 8 0.773 -7.558 10.963 787 H ALA 9 HN ALA 9 -1.623 -3.977 10.737 788 HA ALA 9 HA ALA 9 -4.365 -3.620 11.410 789 1HB ALA 9 HB1 ALA 9 -3.041 -1.333 10.030 790 2HB ALA 9 HB2 ALA 9 -2.178 -1.988 11.415 791 3HB ALA 9 HB3 ALA 9 -3.823 -1.394 11.611 792 H LEU 10 HN LEU 10 -2.748 -3.800 8.290 793 HA LEU 10 HA LEU 10 -5.094 -2.842 6.819 794 1HB LEU 10 HB2 LEU 10 -2.364 -3.869 6.136 795 2HB LEU 10 HB1 LEU 10 -3.594 -3.949 4.877 796 HG LEU 10 HG LEU 10 -3.274 -1.369 6.408 797 1HD1 LEU 10 HD11 LEU 10 -1.394 -2.437 4.305 798 2HD1 LEU 10 HD12 LEU 10 -0.998 -1.695 5.854 799 3HD1 LEU 10 HD13 LEU 10 -1.626 -0.704 4.537 800 1HD2 LEU 10 HD21 LEU 10 -5.108 -1.650 4.774 801 2HD2 LEU 10 HD22 LEU 10 -3.935 -2.061 3.521 802 3HD2 LEU 10 HD23 LEU 10 -3.956 -0.439 4.214 803 H ILE 11 HN ILE 11 -3.485 -6.025 7.120 804 HA ILE 11 HA ILE 11 -5.172 -7.609 5.600 805 HB ILE 11 HB ILE 11 -3.808 -8.189 8.239 806 1HG1 ILE 11 HG12 ILE 11 -3.318 -9.215 5.432 807 2HG1 ILE 11 HG11 ILE 11 -2.509 -7.808 6.102 808 1HG2 ILE 11 HG21 ILE 11 -4.270 -10.637 7.625 809 2HG2 ILE 11 HG22 ILE 11 -5.496 -10.024 6.515 810 3HG2 ILE 11 HG23 ILE 11 -5.647 -9.730 8.247 811 1HD1 ILE 11 HD11 ILE 11 -1.065 -9.741 6.402 812 2HD1 ILE 11 HD12 ILE 11 -2.376 -10.644 7.163 813 3HD1 ILE 11 HD13 ILE 11 -1.676 -9.248 7.981 814 H ASP 12 HN ASP 12 -5.839 -6.167 8.734 815 HA ASP 12 HA ASP 12 -8.278 -7.689 9.155 816 1HB ASP 12 HB2 ASP 12 -7.151 -5.194 10.438 817 2HB ASP 12 HB1 ASP 12 -8.700 -5.890 10.916 818 H VAL 13 HN VAL 13 -7.607 -4.335 8.131 819 HA VAL 13 HA VAL 13 -10.431 -3.880 7.521 820 HB VAL 13 HB VAL 13 -8.099 -2.165 6.616 821 1HG1 VAL 13 HG11 VAL 13 -9.826 -0.374 6.898 822 2HG1 VAL 13 HG12 VAL 13 -11.016 -1.626 7.247 823 3HG1 VAL 13 HG13 VAL 13 -10.242 -1.560 5.662 824 1HG2 VAL 13 HG21 VAL 13 -9.572 -2.034 9.267 825 2HG2 VAL 13 HG22 VAL 13 -8.277 -0.966 8.728 826 3HG2 VAL 13 HG23 VAL 13 -7.934 -2.660 9.070 827 H PHE 14 HN PHE 14 -7.596 -4.988 5.853 828 HA PHE 14 HA PHE 14 -8.595 -4.515 3.161 829 1HB PHE 14 HB2 PHE 14 -6.271 -4.819 3.231 830 2HB PHE 14 HB1 PHE 14 -6.388 -6.168 4.345 831 HD1 PHE 14 HD1 PHE 14 -5.806 -8.232 3.430 832 HD2 PHE 14 HD2 PHE 14 -7.759 -5.312 0.959 833 HE1 PHE 14 HE1 PHE 14 -5.742 -9.804 1.523 834 HE2 PHE 14 HE2 PHE 14 -7.698 -6.894 -0.951 835 HZ PHE 14 HZ PHE 14 -6.684 -9.138 -0.668 836 H HIS 15 HN HIS 15 -8.361 -7.511 5.121 837 HA HIS 15 HA HIS 15 -9.928 -9.044 3.254 838 1HB HIS 15 HB2 HIS 15 -8.276 -9.898 5.024 839 2HB HIS 15 HB1 HIS 15 -9.585 -9.684 6.184 840 HD1 HIS 15 HD1 HIS 15 -10.319 -12.061 6.618 841 HD2 HIS 15 HD2 HIS 15 -9.962 -11.256 2.541 842 HE1 HIS 15 HE1 HIS 15 -11.246 -14.079 5.400 843 H GLN 16 HN GLN 16 -10.784 -7.104 6.094 844 HA GLN 16 HA GLN 16 -13.451 -8.165 6.382 845 1HB GLN 16 HB2 GLN 16 -12.161 -5.561 7.215 846 2HB GLN 16 HB1 GLN 16 -13.852 -5.920 7.559 847 1HG GLN 16 HG2 GLN 16 -11.690 -7.888 8.313 848 2HG GLN 16 HG1 GLN 16 -12.067 -6.524 9.364 849 1HE2 GLN 16 HE21 GLN 16 -12.597 -8.922 10.520 850 2HE2 GLN 16 HE22 GLN 16 -14.259 -9.273 10.508 851 H TYR 17 HN TYR 17 -12.087 -5.529 4.460 852 HA TYR 17 HA TYR 17 -14.789 -4.869 3.398 853 1HB TYR 17 HB2 TYR 17 -12.085 -3.545 3.220 854 2HB TYR 17 HB1 TYR 17 -13.391 -3.092 2.121 855 HD1 TYR 17 HD1 TYR 17 -12.496 -3.419 5.726 856 HD2 TYR 17 HD2 TYR 17 -15.194 -1.712 2.851 857 HE1 TYR 17 HE1 TYR 17 -13.533 -2.051 7.514 858 HE2 TYR 17 HE2 TYR 17 -16.233 -0.341 4.642 859 HH TYR 17 HH TYR 17 -15.418 -0.817 8.023 860 H SER 18 HN SER 18 -11.559 -5.649 2.009 861 HA SER 18 HA SER 18 -12.476 -6.112 -0.622 862 1HB SER 18 HB2 SER 18 -10.356 -7.754 0.794 863 2HB SER 18 HB1 SER 18 -10.504 -7.481 -0.938 864 HG SER 18 HG SER 18 -9.248 -5.842 -0.550 865 H GLY 19 HN GLY 19 -12.925 -7.928 2.297 866 1HA GLY 19 HA2 GLY 19 -13.961 -10.304 0.824 867 2HA GLY 19 HA1 GLY 19 -13.581 -10.250 2.543 868 H ARG 20 HN ARG 20 -15.197 -7.414 2.042 869 HA ARG 20 HA ARG 20 -17.539 -8.191 3.435 870 1HB ARG 20 HB2 ARG 20 -16.838 -5.846 3.185 871 2HB ARG 20 HB1 ARG 20 -17.148 -5.916 1.457 872 1HG ARG 20 HG2 ARG 20 -19.594 -6.535 2.153 873 2HG ARG 20 HG1 ARG 20 -19.129 -5.929 3.741 874 1HD ARG 20 HD2 ARG 20 -18.433 -3.786 2.679 875 2HD ARG 20 HD1 ARG 20 -18.996 -4.402 1.126 876 HE ARG 20 HE ARG 20 -21.224 -4.027 1.836 877 1HH1 ARG 20 HH21 ARG 20 -18.952 -3.850 4.425 878 2HH1 ARG 20 HH22 ARG 20 -20.111 -3.285 5.582 879 1HH2 ARG 20 HH11 ARG 20 -22.754 -3.297 3.333 880 2HH2 ARG 20 HH12 ARG 20 -22.268 -2.982 4.964 881 H GLU 21 HN GLU 21 -16.811 -8.091 -0.010 882 HA GLU 21 HA GLU 21 -18.809 -10.091 -0.603 883 1HB GLU 21 HB2 GLU 21 -20.170 -8.501 -2.113 884 2HB GLU 21 HB1 GLU 21 -20.453 -8.402 -0.373 885 1HG GLU 21 HG2 GLU 21 -19.006 -6.479 -0.175 886 2HG GLU 21 HG1 GLU 21 -18.497 -6.637 -1.856 887 H GLY 22 HN GLY 22 -19.069 -10.252 -3.092 888 1HA GLY 22 HA2 GLY 22 -18.090 -9.855 -5.297 889 2HA GLY 22 HA1 GLY 22 -16.609 -9.308 -4.508 890 H ASP 23 HN ASP 23 -15.941 -11.069 -6.248 891 HA ASP 23 HA ASP 23 -16.316 -13.815 -5.792 892 1HB ASP 23 HB2 ASP 23 -15.024 -12.767 -7.696 893 2HB ASP 23 HB1 ASP 23 -13.681 -12.539 -6.573 894 H LYS 24 HN LYS 24 -13.622 -11.809 -4.545 895 HA LYS 24 HA LYS 24 -13.726 -12.526 -1.868 896 1HB LYS 24 HB2 LYS 24 -12.796 -14.766 -3.537 897 2HB LYS 24 HB1 LYS 24 -11.587 -14.322 -2.349 898 1HG LYS 24 HG2 LYS 24 -14.451 -14.654 -1.460 899 2HG LYS 24 HG1 LYS 24 -13.452 -16.078 -1.724 900 1HD LYS 24 HD2 LYS 24 -11.949 -15.513 -0.016 901 2HD LYS 24 HD1 LYS 24 -12.390 -13.806 -0.052 902 1HE LYS 24 HE2 LYS 24 -14.518 -14.259 0.995 903 2HE LYS 24 HE1 LYS 24 -14.287 -15.999 0.831 904 1HZ LYS 24 HZ1 LYS 24 -13.107 -16.051 2.693 905 2HZ LYS 24 HZ2 LYS 24 -13.574 -14.442 2.973 906 3HZ LYS 24 HZ3 LYS 24 -12.104 -14.780 2.190 907 H HIS 25 HN HIS 25 -12.028 -11.587 -0.734 908 HA HIS 25 HA HIS 25 -10.384 -9.921 -0.495 909 1HB HIS 25 HB2 HIS 25 -8.705 -11.534 -2.394 910 2HB HIS 25 HB1 HIS 25 -8.271 -10.832 -0.838 911 HD2 HIS 25 HD2 HIS 25 -9.080 -14.234 -2.210 912 HE1 HIS 25 HE1 HIS 25 -10.083 -14.457 1.879 913 HE2 HIS 25 HE2 HIS 25 -9.670 -15.809 -0.220 914 H LYS 26 HN LYS 26 -12.149 -8.928 -2.486 915 HA LYS 26 HA LYS 26 -10.178 -7.507 -4.194 916 1HB LYS 26 HB2 LYS 26 -12.621 -9.042 -5.093 917 2HB LYS 26 HB1 LYS 26 -12.061 -7.636 -6.002 918 1HG LYS 26 HG2 LYS 26 -9.878 -8.640 -6.331 919 2HG LYS 26 HG1 LYS 26 -10.289 -9.985 -5.269 920 1HD LYS 26 HD2 LYS 26 -10.460 -10.574 -7.688 921 2HD LYS 26 HD1 LYS 26 -11.993 -10.756 -6.833 922 1HE LYS 26 HE2 LYS 26 -12.916 -8.835 -7.817 923 2HE LYS 26 HE1 LYS 26 -11.335 -8.161 -8.217 924 1HZ LYS 26 HZ1 LYS 26 -11.059 -10.076 -9.764 925 2HZ LYS 26 HZ2 LYS 26 -12.279 -8.979 -10.206 926 3HZ LYS 26 HZ3 LYS 26 -12.687 -10.467 -9.495 927 H LEU 27 HN LEU 27 -10.817 -5.367 -4.598 928 HA LEU 27 HA LEU 27 -12.866 -4.371 -2.700 929 1HB LEU 27 HB2 LEU 27 -10.294 -3.600 -3.196 930 2HB LEU 27 HB1 LEU 27 -11.155 -2.462 -4.213 931 HG LEU 27 HG LEU 27 -10.716 -1.560 -1.966 932 1HD1 LEU 27 HD11 LEU 27 -13.497 -1.890 -2.908 933 2HD1 LEU 27 HD12 LEU 27 -12.492 -0.463 -2.847 934 3HD1 LEU 27 HD13 LEU 27 -13.213 -1.092 -1.369 935 1HD2 LEU 27 HD21 LEU 27 -12.712 -3.354 -0.678 936 2HD2 LEU 27 HD22 LEU 27 -11.316 -2.546 0.015 937 3HD2 LEU 27 HD23 LEU 27 -11.097 -4.004 -0.949 938 H LYS 28 HN LYS 28 -14.775 -3.710 -3.317 939 HA LYS 28 HA LYS 28 -15.261 -2.907 -6.172 940 1HB LYS 28 HB2 LYS 28 -17.517 -3.561 -4.289 941 2HB LYS 28 HB1 LYS 28 -17.428 -3.749 -6.042 942 1HG LYS 28 HG2 LYS 28 -15.590 -5.526 -5.522 943 2HG LYS 28 HG1 LYS 28 -16.264 -5.512 -3.893 944 1HD LYS 28 HD2 LYS 28 -17.673 -6.215 -6.474 945 2HD LYS 28 HD1 LYS 28 -17.390 -7.249 -5.086 946 1HE LYS 28 HE2 LYS 28 -19.623 -6.664 -4.756 947 2HE LYS 28 HE1 LYS 28 -18.805 -5.428 -3.804 948 1HZ LYS 28 HZ1 LYS 28 -19.261 -3.819 -5.321 949 2HZ LYS 28 HZ2 LYS 28 -20.603 -4.825 -5.604 950 3HZ LYS 28 HZ3 LYS 28 -19.258 -4.886 -6.639 951 H LYS 29 HN LYS 29 -16.773 -1.031 -6.406 952 HA LYS 29 HA LYS 29 -16.039 1.210 -4.883 953 1HB LYS 29 HB2 LYS 29 -18.598 0.652 -6.409 954 2HB LYS 29 HB1 LYS 29 -18.214 2.228 -5.715 955 1HG LYS 29 HG2 LYS 29 -16.027 2.147 -7.007 956 2HG LYS 29 HG1 LYS 29 -16.663 0.729 -7.843 957 1HD LYS 29 HD2 LYS 29 -17.980 3.460 -7.773 958 2HD LYS 29 HD1 LYS 29 -17.072 2.805 -9.133 959 1HE LYS 29 HE2 LYS 29 -18.741 0.795 -8.961 960 2HE LYS 29 HE1 LYS 29 -19.736 1.928 -8.047 961 1HZ LYS 29 HZ1 LYS 29 -20.434 2.655 -10.012 962 2HZ LYS 29 HZ2 LYS 29 -19.216 1.826 -10.858 963 3HZ LYS 29 HZ3 LYS 29 -18.907 3.367 -10.207 964 H SER 30 HN SER 30 -18.770 -1.011 -4.345 965 HA SER 30 HA SER 30 -20.049 0.363 -2.234 966 1HB SER 30 HB2 SER 30 -19.703 -2.597 -2.755 967 2HB SER 30 HB1 SER 30 -20.687 -1.984 -1.431 968 HG SER 30 HG SER 30 -21.952 -2.305 -3.281 969 H GLU 31 HN GLU 31 -16.972 -1.101 -2.329 970 HA GLU 31 HA GLU 31 -16.764 -1.117 0.666 971 1HB GLU 31 HB2 GLU 31 -15.122 -2.426 -1.498 972 2HB GLU 31 HB1 GLU 31 -14.595 -2.340 0.181 973 1HG GLU 31 HG2 GLU 31 -16.417 -3.659 0.925 974 2HG GLU 31 HG1 GLU 31 -17.307 -3.429 -0.580 975 H LEU 32 HN LEU 32 -15.429 0.267 -2.288 976 HA LEU 32 HA LEU 32 -13.363 1.747 -0.935 977 1HB LEU 32 HB2 LEU 32 -13.928 1.227 -3.566 978 2HB LEU 32 HB1 LEU 32 -14.468 2.898 -3.454 979 HG LEU 32 HG LEU 32 -11.726 1.905 -2.605 980 1HD1 LEU 32 HD11 LEU 32 -11.597 1.774 -4.924 981 2HD1 LEU 32 HD12 LEU 32 -11.124 3.452 -4.669 982 3HD1 LEU 32 HD13 LEU 32 -12.769 3.066 -5.179 983 1HD2 LEU 32 HD21 LEU 32 -12.503 3.889 -1.372 984 2HD2 LEU 32 HD22 LEU 32 -12.870 4.700 -2.893 985 3HD2 LEU 32 HD23 LEU 32 -11.200 4.319 -2.478 986 H LYS 33 HN LYS 33 -16.598 2.690 -2.099 987 HA LYS 33 HA LYS 33 -16.454 5.331 -0.958 988 1HB LYS 33 HB2 LYS 33 -17.954 4.666 -2.821 989 2HB LYS 33 HB1 LYS 33 -18.803 3.575 -1.729 990 1HG LYS 33 HG2 LYS 33 -19.002 5.934 -0.322 991 2HG LYS 33 HG1 LYS 33 -18.994 6.547 -1.974 992 1HD LYS 33 HD2 LYS 33 -21.273 6.142 -1.669 993 2HD LYS 33 HD1 LYS 33 -20.755 4.621 -2.396 994 1HE LYS 33 HE2 LYS 33 -20.591 3.576 -0.196 995 2HE LYS 33 HE1 LYS 33 -20.981 5.103 0.594 996 1HZ LYS 33 HZ1 LYS 33 -22.730 3.405 -1.081 997 2HZ LYS 33 HZ2 LYS 33 -23.098 5.035 -0.768 998 3HZ LYS 33 HZ3 LYS 33 -22.977 3.926 0.514 999 H GLU 34 HN GLU 34 -17.645 2.182 0.121 1000 HA GLU 34 HA GLU 34 -18.754 3.254 2.607 1001 1HB GLU 34 HB2 GLU 34 -19.592 1.136 1.580 1002 2HB GLU 34 HB1 GLU 34 -18.050 0.375 1.983 1003 1HG GLU 34 HG2 GLU 34 -18.441 0.870 4.380 1004 2HG GLU 34 HG1 GLU 34 -19.999 1.587 3.967 1005 H LEU 35 HN LEU 35 -15.674 1.856 1.649 1006 HA LEU 35 HA LEU 35 -14.720 1.569 4.369 1007 1HB LEU 35 HB2 LEU 35 -13.702 0.256 2.568 1008 2HB LEU 35 HB1 LEU 35 -13.216 1.736 1.737 1009 HG LEU 35 HG LEU 35 -11.737 2.334 3.591 1010 1HD1 LEU 35 HD11 LEU 35 -12.758 1.497 5.546 1011 2HD1 LEU 35 HD12 LEU 35 -11.374 0.435 5.336 1012 3HD1 LEU 35 HD13 LEU 35 -12.976 -0.109 4.850 1013 1HD2 LEU 35 HD21 LEU 35 -11.343 -0.554 2.777 1014 2HD2 LEU 35 HD22 LEU 35 -10.094 0.579 3.295 1015 3HD2 LEU 35 HD23 LEU 35 -10.938 0.835 1.768 1016 H ILE 36 HN ILE 36 -14.655 4.081 1.913 1017 HA ILE 36 HA ILE 36 -12.787 5.803 3.278 1018 HB ILE 36 HB ILE 36 -14.838 6.221 1.099 1019 1HG1 ILE 36 HG12 ILE 36 -11.830 6.562 1.083 1020 2HG1 ILE 36 HG11 ILE 36 -12.628 5.035 0.708 1021 1HG2 ILE 36 HG21 ILE 36 -14.902 8.360 2.063 1022 2HG2 ILE 36 HG22 ILE 36 -13.614 8.523 0.874 1023 3HG2 ILE 36 HG23 ILE 36 -13.216 8.290 2.577 1024 1HD1 ILE 36 HD11 ILE 36 -12.110 6.362 -1.338 1025 2HD1 ILE 36 HD12 ILE 36 -13.152 7.652 -0.735 1026 3HD1 ILE 36 HD13 ILE 36 -13.840 6.079 -1.141 1027 H ASN 37 HN ASN 37 -16.304 5.462 3.282 1028 HA ASN 37 HA ASN 37 -16.713 7.762 5.025 1029 1HB ASN 37 HB2 ASN 37 -18.649 5.501 4.486 1030 2HB ASN 37 HB1 ASN 37 -19.031 7.148 4.990 1031 1HD2 ASN 37 HD21 ASN 37 -20.137 6.039 2.584 1032 2HD2 ASN 37 HD22 ASN 37 -19.477 6.871 1.259 1033 H ASN 38 HN ASN 38 -16.012 4.396 5.473 1034 HA ASN 38 HA ASN 38 -16.921 4.429 8.293 1035 1HB ASN 38 HB2 ASN 38 -17.203 2.428 6.743 1036 2HB ASN 38 HB1 ASN 38 -15.462 2.185 6.891 1037 1HD2 ASN 38 HD21 ASN 38 -17.793 0.517 7.947 1038 2HD2 ASN 38 HD22 ASN 38 -17.491 0.364 9.610 1039 H GLU 39 HN GLU 39 -13.783 4.089 6.581 1040 HA GLU 39 HA GLU 39 -12.428 4.470 9.246 1041 1HB GLU 39 HB2 GLU 39 -11.343 3.310 6.662 1042 2HB GLU 39 HB1 GLU 39 -10.450 3.474 8.176 1043 1HG GLU 39 HG2 GLU 39 -13.050 1.946 7.969 1044 2HG GLU 39 HG1 GLU 39 -11.473 1.182 7.766 1045 H LEU 40 HN LEU 40 -11.728 5.262 5.806 1046 HA LEU 40 HA LEU 40 -10.087 7.503 6.651 1047 1HB LEU 40 HB2 LEU 40 -11.106 7.260 3.839 1048 2HB LEU 40 HB1 LEU 40 -9.523 7.773 4.409 1049 HG LEU 40 HG LEU 40 -10.606 4.933 4.445 1050 1HD1 LEU 40 HD11 LEU 40 -9.800 6.003 2.246 1051 2HD1 LEU 40 HD12 LEU 40 -9.056 4.473 2.712 1052 3HD1 LEU 40 HD13 LEU 40 -8.191 5.987 2.968 1053 1HD2 LEU 40 HD21 LEU 40 -7.899 4.764 5.008 1054 2HD2 LEU 40 HD22 LEU 40 -9.184 4.681 6.212 1055 3HD2 LEU 40 HD23 LEU 40 -8.361 6.209 5.902 1056 H SER 41 HN SER 41 -12.893 7.573 7.582 1057 HA SER 41 HA SER 41 -14.070 9.811 6.057 1058 1HB SER 41 HB2 SER 41 -15.632 8.254 7.011 1059 2HB SER 41 HB1 SER 41 -14.882 8.368 8.596 1060 HG SER 41 HG SER 41 -15.633 10.434 8.786 1061 H HIS 42 HN HIS 42 -11.915 9.311 8.712 1062 HA HIS 42 HA HIS 42 -12.365 12.019 9.826 1063 1HB HIS 42 HB2 HIS 42 -10.522 9.741 10.581 1064 2HB HIS 42 HB1 HIS 42 -10.488 11.311 11.379 1065 HD1 HIS 42 HD1 HIS 42 -13.640 9.559 10.229 1066 HD2 HIS 42 HD2 HIS 42 -11.696 10.526 13.792 1067 HE1 HIS 42 HE1 HIS 42 -15.253 8.999 12.102 1068 HE2 HIS 42 HE2 HIS 42 -14.080 9.582 14.273 1069 H PHE 43 HN PHE 43 -10.292 10.372 7.586 1070 HA PHE 43 HA PHE 43 -8.414 12.715 7.537 1071 1HB PHE 43 HB2 PHE 43 -8.127 9.810 6.746 1072 2HB PHE 43 HB1 PHE 43 -7.039 11.034 6.091 1073 HD1 PHE 43 HD1 PHE 43 -5.061 11.448 7.282 1074 HD2 PHE 43 HD2 PHE 43 -8.525 10.044 9.397 1075 HE1 PHE 43 HE1 PHE 43 -3.756 11.405 9.388 1076 HE2 PHE 43 HE2 PHE 43 -7.220 9.998 11.505 1077 HZ PHE 43 HZ PHE 43 -4.835 10.680 11.499 1078 H LEU 44 HN LEU 44 -10.625 10.736 5.637 1079 HA LEU 44 HA LEU 44 -10.302 12.633 3.335 1080 1HB LEU 44 HB2 LEU 44 -10.408 9.725 3.481 1081 2HB LEU 44 HB1 LEU 44 -11.712 10.317 2.463 1082 HG LEU 44 HG LEU 44 -9.987 11.683 1.210 1083 1HD1 LEU 44 HD11 LEU 44 -7.627 10.947 1.461 1084 2HD1 LEU 44 HD12 LEU 44 -8.094 9.975 2.858 1085 3HD1 LEU 44 HD13 LEU 44 -8.224 11.731 2.918 1086 1HD2 LEU 44 HD21 LEU 44 -9.803 8.666 1.336 1087 2HD2 LEU 44 HD22 LEU 44 -8.999 9.617 0.087 1088 3HD2 LEU 44 HD23 LEU 44 -10.757 9.642 0.218 1089 H GLU 45 HN GLU 45 -12.056 13.907 2.907 1090 HA GLU 45 HA GLU 45 -14.292 14.084 4.597 1091 1HB GLU 45 HB2 GLU 45 -15.413 15.212 2.566 1092 2HB GLU 45 HB1 GLU 45 -13.904 15.919 3.145 1093 1HG GLU 45 HG2 GLU 45 -12.641 14.784 1.404 1094 2HG GLU 45 HG1 GLU 45 -14.079 13.911 0.876 1095 H GLU 46 HN GLU 46 -16.355 13.119 4.613 1096 HA GLU 46 HA GLU 46 -16.611 10.495 3.490 1097 1HB GLU 46 HB2 GLU 46 -17.895 11.316 5.490 1098 2HB GLU 46 HB1 GLU 46 -18.864 12.313 4.405 1099 1HG GLU 46 HG2 GLU 46 -19.729 10.391 3.263 1100 2HG GLU 46 HG1 GLU 46 -18.567 9.324 4.048 1101 H ILE 47 HN ILE 47 -16.521 10.319 1.254 1102 HA ILE 47 HA ILE 47 -17.634 12.283 -0.522 1103 HB ILE 47 HB ILE 47 -17.164 10.767 -2.306 1104 1HG1 ILE 47 HG12 ILE 47 -17.209 8.604 -0.178 1105 2HG1 ILE 47 HG11 ILE 47 -18.269 8.753 -1.578 1106 1HG2 ILE 47 HG21 ILE 47 -14.876 10.267 -1.947 1107 2HG2 ILE 47 HG22 ILE 47 -15.116 10.036 -0.213 1108 3HG2 ILE 47 HG23 ILE 47 -15.214 11.654 -0.908 1109 1HD1 ILE 47 HD11 ILE 47 -15.953 8.653 -2.904 1110 2HD1 ILE 47 HD12 ILE 47 -16.779 7.183 -2.394 1111 3HD1 ILE 47 HD13 ILE 47 -15.433 7.810 -1.444 1112 H LYS 48 HN LYS 48 -19.675 12.524 -1.277 1113 HA LYS 48 HA LYS 48 -21.743 10.530 -0.423 1114 1HB LYS 48 HB2 LYS 48 -21.975 13.444 -1.257 1115 2HB LYS 48 HB1 LYS 48 -23.342 12.403 -0.856 1116 1HG LYS 48 HG2 LYS 48 -22.542 12.097 1.400 1117 2HG LYS 48 HG1 LYS 48 -21.029 12.923 1.027 1118 1HD LYS 48 HD2 LYS 48 -22.237 15.016 0.632 1119 2HD LYS 48 HD1 LYS 48 -23.775 14.200 0.918 1120 1HE LYS 48 HE2 LYS 48 -21.548 14.310 2.965 1121 2HE LYS 48 HE1 LYS 48 -22.882 15.466 2.914 1122 1HZ LYS 48 HZ1 LYS 48 -22.859 12.913 4.051 1123 2HZ LYS 48 HZ2 LYS 48 -23.936 12.874 2.736 1124 3HZ LYS 48 HZ3 LYS 48 -24.147 14.014 3.977 1125 H GLU 49 HN GLU 49 -19.969 11.693 -3.050 1126 HA GLU 49 HA GLU 49 -21.880 10.461 -5.016 1127 1HB GLU 49 HB2 GLU 49 -19.909 12.682 -5.636 1128 2HB GLU 49 HB1 GLU 49 -21.205 12.074 -6.663 1129 1HG GLU 49 HG2 GLU 49 -22.895 12.989 -5.216 1130 2HG GLU 49 HG1 GLU 49 -21.703 13.386 -3.977 1131 H GLN 50 HN GLN 50 -21.030 8.667 -5.899 1132 HA GLN 50 HA GLN 50 -18.393 7.747 -5.419 1133 1HB GLN 50 HB2 GLN 50 -18.897 6.154 -7.330 1134 2HB GLN 50 HB1 GLN 50 -20.096 6.173 -6.041 1135 1HG GLN 50 HG2 GLN 50 -21.482 7.742 -7.371 1136 2HG GLN 50 HG1 GLN 50 -20.286 7.679 -8.666 1137 1HE2 GLN 50 HE21 GLN 50 -19.697 4.807 -8.334 1138 2HE2 GLN 50 HE22 GLN 50 -21.054 3.963 -8.904 1139 H GLU 51 HN GLU 51 -19.546 10.065 -7.694 1140 HA GLU 51 HA GLU 51 -17.947 9.857 -9.897 1141 1HB GLU 51 HB2 GLU 51 -19.594 11.690 -9.410 1142 2HB GLU 51 HB1 GLU 51 -18.364 12.453 -8.405 1143 1HG GLU 51 HG2 GLU 51 -16.850 12.554 -10.366 1144 2HG GLU 51 HG1 GLU 51 -18.113 11.833 -11.362 1145 H VAL 52 HN VAL 52 -16.835 11.035 -6.729 1146 HA VAL 52 HA VAL 52 -14.171 11.573 -7.795 1147 HB VAL 52 HB VAL 52 -14.729 12.877 -5.880 1148 1HG1 VAL 52 HG11 VAL 52 -16.630 11.669 -5.062 1149 2HG1 VAL 52 HG12 VAL 52 -15.474 11.760 -3.734 1150 3HG1 VAL 52 HG13 VAL 52 -15.641 10.267 -4.657 1151 1HG2 VAL 52 HG21 VAL 52 -13.089 12.262 -4.206 1152 2HG2 VAL 52 HG22 VAL 52 -12.433 11.827 -5.783 1153 3HG2 VAL 52 HG23 VAL 52 -13.107 10.581 -4.732 1154 H VAL 53 HN VAL 53 -15.830 8.954 -6.119 1155 HA VAL 53 HA VAL 53 -13.473 7.360 -5.795 1156 HB VAL 53 HB VAL 53 -16.181 7.122 -5.088 1157 1HG1 VAL 53 HG11 VAL 53 -15.441 4.771 -6.863 1158 2HG1 VAL 53 HG12 VAL 53 -16.601 6.015 -7.306 1159 3HG1 VAL 53 HG13 VAL 53 -16.927 4.957 -5.934 1160 1HG2 VAL 53 HG21 VAL 53 -15.472 5.059 -3.934 1161 2HG2 VAL 53 HG22 VAL 53 -14.281 6.347 -3.754 1162 3HG2 VAL 53 HG23 VAL 53 -13.996 5.035 -4.897 1163 H ASP 54 HN ASP 54 -15.525 8.188 -8.444 1164 HA ASP 54 HA ASP 54 -14.603 6.022 -10.189 1165 1HB ASP 54 HB2 ASP 54 -16.803 7.299 -10.464 1166 2HB ASP 54 HB1 ASP 54 -15.838 8.659 -11.039 1167 H LYS 55 HN LYS 55 -13.738 9.333 -9.421 1168 HA LYS 55 HA LYS 55 -11.763 9.590 -11.547 1169 1HB LYS 55 HB2 LYS 55 -12.890 11.528 -10.381 1170 2HB LYS 55 HB1 LYS 55 -11.945 11.139 -8.948 1171 1HG LYS 55 HG2 LYS 55 -9.978 11.236 -10.918 1172 2HG LYS 55 HG1 LYS 55 -11.095 12.485 -11.456 1173 1HD LYS 55 HD2 LYS 55 -9.670 13.673 -10.025 1174 2HD LYS 55 HD1 LYS 55 -11.019 13.284 -8.961 1175 1HE LYS 55 HE2 LYS 55 -9.792 11.344 -8.082 1176 2HE LYS 55 HE1 LYS 55 -8.456 11.679 -9.182 1177 1HZ LYS 55 HZ1 LYS 55 -8.530 12.592 -6.708 1178 2HZ LYS 55 HZ2 LYS 55 -9.338 13.871 -7.479 1179 3HZ LYS 55 HZ3 LYS 55 -7.770 13.436 -7.968 1180 H VAL 56 HN VAL 56 -11.480 9.197 -7.999 1181 HA VAL 56 HA VAL 56 -8.694 8.825 -7.878 1182 HB VAL 56 HB VAL 56 -10.482 8.912 -5.952 1183 1HG1 VAL 56 HG11 VAL 56 -11.549 6.742 -6.763 1184 2HG1 VAL 56 HG12 VAL 56 -11.176 6.806 -5.046 1185 3HG1 VAL 56 HG13 VAL 56 -10.130 5.911 -6.147 1186 1HG2 VAL 56 HG21 VAL 56 -7.942 7.270 -5.940 1187 2HG2 VAL 56 HG22 VAL 56 -8.858 7.572 -4.464 1188 3HG2 VAL 56 HG23 VAL 56 -8.175 8.922 -5.370 1189 H MET 57 HN MET 57 -11.248 6.446 -8.501 1190 HA MET 57 HA MET 57 -9.537 4.171 -8.747 1191 1HB MET 57 HB2 MET 57 -12.218 4.820 -10.007 1192 2HB MET 57 HB1 MET 57 -11.439 3.242 -10.130 1193 1HG MET 57 HG2 MET 57 -11.764 4.448 -7.397 1194 2HG MET 57 HG1 MET 57 -13.181 3.746 -8.177 1195 1HE MET 57 HE1 MET 57 -13.182 1.366 -9.262 1196 2HE MET 57 HE2 MET 57 -13.851 1.528 -7.637 1197 3HE MET 57 HE3 MET 57 -12.860 0.124 -8.042 1198 H GLU 58 HN GLU 58 -10.285 6.822 -10.900 1199 HA GLU 58 HA GLU 58 -9.298 5.613 -13.330 1200 1HB GLU 58 HB2 GLU 58 -10.702 7.794 -13.016 1201 2HB GLU 58 HB1 GLU 58 -9.145 8.570 -12.727 1202 1HG GLU 58 HG2 GLU 58 -9.554 8.821 -15.060 1203 2HG GLU 58 HG1 GLU 58 -8.376 7.516 -14.932 1204 H THR 59 HN THR 59 -7.860 7.483 -10.716 1205 HA THR 59 HA THR 59 -5.221 7.538 -11.958 1206 HB THR 59 HB THR 59 -6.069 8.153 -9.118 1207 HG1 THR 59 HG1 THR 59 -6.843 9.390 -11.130 1208 1HG2 THR 59 HG21 THR 59 -3.520 8.547 -10.680 1209 2HG2 THR 59 HG22 THR 59 -3.732 7.826 -9.083 1210 3HG2 THR 59 HG23 THR 59 -3.915 9.566 -9.297 1211 H LEU 60 HN LEU 60 -6.961 5.461 -9.721 1212 HA LEU 60 HA LEU 60 -4.445 3.992 -9.070 1213 1HB LEU 60 HB2 LEU 60 -7.192 4.124 -7.883 1214 2HB LEU 60 HB1 LEU 60 -6.264 2.645 -7.642 1215 HG LEU 60 HG LEU 60 -5.962 4.289 -5.814 1216 1HD1 LEU 60 HD11 LEU 60 -3.760 3.721 -5.491 1217 2HD1 LEU 60 HD12 LEU 60 -3.261 4.254 -7.094 1218 3HD1 LEU 60 HD13 LEU 60 -4.051 2.692 -6.890 1219 1HD2 LEU 60 HD21 LEU 60 -6.173 6.293 -7.346 1220 2HD2 LEU 60 HD22 LEU 60 -4.515 5.986 -7.859 1221 3HD2 LEU 60 HD23 LEU 60 -4.858 6.390 -6.177 1222 H ASP 61 HN ASP 61 -7.679 3.301 -10.566 1223 HA ASP 61 HA ASP 61 -7.219 0.559 -11.041 1224 1HB ASP 61 HB2 ASP 61 -9.350 1.859 -11.395 1225 2HB ASP 61 HB1 ASP 61 -8.642 2.493 -12.882 1226 H GLU 62 HN GLU 62 -5.214 0.029 -11.720 1227 HA GLU 62 HA GLU 62 -4.013 1.412 -14.045 1228 1HB GLU 62 HB2 GLU 62 -2.046 -0.009 -13.607 1229 2HB GLU 62 HB1 GLU 62 -2.553 0.819 -12.133 1230 1HG GLU 62 HG2 GLU 62 -3.889 -1.264 -11.556 1231 2HG GLU 62 HG1 GLU 62 -3.074 -2.060 -12.903 1232 H ASP 63 HN ASP 63 -5.329 -1.741 -13.149 1233 HA ASP 63 HA ASP 63 -4.795 -2.857 -15.791 1234 1HB ASP 63 HB2 ASP 63 -6.526 -4.604 -14.950 1235 2HB ASP 63 HB1 ASP 63 -4.990 -4.502 -14.093 1236 H GLY 64 HN GLY 64 -6.864 -0.525 -14.586 1237 1HA GLY 64 HA2 GLY 64 -8.775 0.510 -15.501 1238 2HA GLY 64 HA1 GLY 64 -8.302 -0.234 -17.030 1239 H ASP 65 HN ASP 65 -9.222 -1.737 -13.950 1240 HA ASP 65 HA ASP 65 -11.252 -3.355 -15.444 1241 1HB ASP 65 HB2 ASP 65 -11.077 -4.922 -13.568 1242 2HB ASP 65 HB1 ASP 65 -9.473 -4.579 -14.219 1243 H GLY 66 HN GLY 66 -11.089 -0.647 -13.460 1244 1HA GLY 66 HA2 GLY 66 -12.896 0.558 -12.493 1245 2HA GLY 66 HA1 GLY 66 -13.982 -0.747 -12.986 1246 H GLU 67 HN GLU 67 -11.512 -2.273 -11.569 1247 HA GLU 67 HA GLU 67 -12.703 -2.172 -8.814 1248 1HB GLU 67 HB2 GLU 67 -11.625 -4.531 -10.392 1249 2HB GLU 67 HB1 GLU 67 -12.002 -4.591 -8.670 1250 1HG GLU 67 HG2 GLU 67 -14.325 -4.080 -9.090 1251 2HG GLU 67 HG1 GLU 67 -13.997 -3.766 -10.794 1252 H CYS 68 HN CYS 68 -11.050 -2.878 -7.143 1253 HA CYS 68 HA CYS 68 -8.266 -2.080 -7.960 1254 1HB CYS 68 HB2 CYS 68 -9.980 -1.134 -5.687 1255 2HB CYS 68 HB1 CYS 68 -8.228 -1.159 -5.494 1256 HG CYS 68 HG CYS 68 -9.373 1.114 -6.656 1257 H ASP 69 HN ASP 69 -7.579 -4.259 -8.046 1258 HA ASP 69 HA ASP 69 -8.053 -6.276 -6.143 1259 1HB ASP 69 HB2 ASP 69 -5.335 -5.887 -7.410 1260 2HB ASP 69 HB1 ASP 69 -6.141 -7.399 -6.993 1261 H PHE 70 HN PHE 70 -5.868 -7.080 -4.772 1262 HA PHE 70 HA PHE 70 -5.711 -5.203 -2.591 1263 1HB PHE 70 HB2 PHE 70 -3.773 -6.913 -1.927 1264 2HB PHE 70 HB1 PHE 70 -5.467 -7.375 -1.828 1265 HD1 PHE 70 HD1 PHE 70 -6.258 -9.238 -3.012 1266 HD2 PHE 70 HD2 PHE 70 -2.558 -7.405 -4.177 1267 HE1 PHE 70 HE1 PHE 70 -5.879 -11.050 -4.662 1268 HE2 PHE 70 HE2 PHE 70 -2.181 -9.209 -5.831 1269 HZ PHE 70 HZ PHE 70 -3.840 -11.035 -6.071 1270 H GLN 71 HN GLN 71 -3.675 -5.859 -5.358 1271 HA GLN 71 HA GLN 71 -1.298 -4.654 -4.357 1272 1HB GLN 71 HB2 GLN 71 -1.331 -6.193 -6.282 1273 2HB GLN 71 HB1 GLN 71 -2.189 -4.979 -7.231 1274 1HG GLN 71 HG2 GLN 71 -0.312 -3.425 -6.982 1275 2HG GLN 71 HG1 GLN 71 0.533 -4.594 -5.963 1276 1HE2 GLN 71 HE21 GLN 71 1.012 -6.771 -7.068 1277 2HE2 GLN 71 HE22 GLN 71 1.354 -6.752 -8.731 1278 H GLU 72 HN GLU 72 -3.936 -3.252 -6.367 1279 HA GLU 72 HA GLU 72 -2.586 -0.623 -6.163 1280 1HB GLU 72 HB2 GLU 72 -4.276 0.175 -7.698 1281 2HB GLU 72 HB1 GLU 72 -3.582 -1.323 -8.318 1282 1HG GLU 72 HG2 GLU 72 -5.735 -2.250 -6.793 1283 2HG GLU 72 HG1 GLU 72 -6.369 -0.750 -7.473 1284 H PHE 73 HN PHE 73 -5.388 -2.366 -4.910 1285 HA PHE 73 HA PHE 73 -6.802 -0.229 -3.777 1286 1HB PHE 73 HB2 PHE 73 -7.774 -2.407 -3.562 1287 2HB PHE 73 HB1 PHE 73 -6.333 -3.032 -2.771 1288 HD1 PHE 73 HD1 PHE 73 -6.709 -3.534 -0.529 1289 HD2 PHE 73 HD2 PHE 73 -8.531 -0.038 -2.236 1290 HE1 PHE 73 HE1 PHE 73 -7.642 -2.945 1.683 1291 HE2 PHE 73 HE2 PHE 73 -9.468 0.550 -0.021 1292 HZ PHE 73 HZ PHE 73 -9.017 -0.909 1.934 1293 H MET 74 HN MET 74 -3.968 -1.951 -2.452 1294 HA MET 74 HA MET 74 -3.921 -0.304 -0.090 1295 1HB MET 74 HB2 MET 74 -2.618 -2.554 -0.681 1296 2HB MET 74 HB1 MET 74 -1.393 -1.440 -1.278 1297 1HG MET 74 HG2 MET 74 -1.033 -0.505 0.860 1298 2HG MET 74 HG1 MET 74 -2.559 -1.114 1.494 1299 1HE MET 74 HE1 MET 74 0.843 -2.736 3.070 1300 2HE MET 74 HE2 MET 74 0.015 -1.192 2.912 1301 3HE MET 74 HE3 MET 74 1.186 -1.681 1.693 1302 H ALA 75 HN ALA 75 -2.434 -0.166 -3.273 1303 HA ALA 75 HA ALA 75 -0.824 2.135 -2.916 1304 1HB ALA 75 HB1 ALA 75 -2.483 1.724 -5.411 1305 2HB ALA 75 HB2 ALA 75 -1.082 0.719 -5.042 1306 3HB ALA 75 HB3 ALA 75 -0.885 2.452 -5.272 1307 H PHE 76 HN PHE 76 -4.298 1.888 -2.947 1308 HA PHE 76 HA PHE 76 -4.772 4.697 -3.495 1309 1HB PHE 76 HB2 PHE 76 -6.695 3.334 -3.791 1310 2HB PHE 76 HB1 PHE 76 -6.481 2.550 -2.238 1311 HD1 PHE 76 HD1 PHE 76 -6.542 6.170 -3.256 1312 HD2 PHE 76 HD2 PHE 76 -8.282 3.068 -0.841 1313 HE1 PHE 76 HE1 PHE 76 -8.039 7.834 -2.193 1314 HE2 PHE 76 HE2 PHE 76 -9.779 4.731 0.216 1315 HZ PHE 76 HZ PHE 76 -9.662 7.114 -0.456 1316 H VAL 77 HN VAL 77 -4.676 2.816 -0.435 1317 HA VAL 77 HA VAL 77 -4.889 5.084 1.278 1318 HB VAL 77 HB VAL 77 -3.340 2.518 1.761 1319 1HG1 VAL 77 HG11 VAL 77 -3.801 3.184 4.181 1320 2HG1 VAL 77 HG12 VAL 77 -4.249 4.772 3.558 1321 3HG1 VAL 77 HG13 VAL 77 -2.611 4.170 3.331 1322 1HG2 VAL 77 HG21 VAL 77 -6.121 3.313 2.658 1323 2HG2 VAL 77 HG22 VAL 77 -5.334 1.752 2.879 1324 3HG2 VAL 77 HG23 VAL 77 -5.803 2.279 1.264 1325 H SER 78 HN SER 78 -2.188 3.731 -0.485 1326 HA SER 78 HA SER 78 -0.107 5.203 0.810 1327 1HB SER 78 HB2 SER 78 1.263 4.479 -0.946 1328 2HB SER 78 HB1 SER 78 -0.004 3.256 -0.949 1329 HG SER 78 HG SER 78 0.224 5.543 -2.607 1330 H MET 79 HN MET 79 -2.449 5.921 -1.668 1331 HA MET 79 HA MET 79 -1.213 8.408 -2.481 1332 1HB MET 79 HB2 MET 79 -2.703 7.129 -3.990 1333 2HB MET 79 HB1 MET 79 -4.054 7.443 -2.903 1334 1HG MET 79 HG2 MET 79 -4.239 9.654 -3.553 1335 2HG MET 79 HG1 MET 79 -2.505 9.840 -3.802 1336 1HE MET 79 HE1 MET 79 -5.791 8.384 -5.031 1337 2HE MET 79 HE2 MET 79 -5.731 8.718 -6.761 1338 3HE MET 79 HE3 MET 79 -5.685 10.054 -5.611 1339 H VAL 80 HN VAL 80 -3.600 7.447 -0.087 1340 HA VAL 80 HA VAL 80 -4.232 10.265 0.532 1341 HB VAL 80 HB VAL 80 -5.912 9.500 1.961 1342 1HG1 VAL 80 HG11 VAL 80 -6.240 8.604 -0.365 1343 2HG1 VAL 80 HG12 VAL 80 -7.082 7.693 0.888 1344 3HG1 VAL 80 HG13 VAL 80 -5.585 7.069 0.201 1345 1HG2 VAL 80 HG21 VAL 80 -4.264 7.020 2.400 1346 2HG2 VAL 80 HG22 VAL 80 -5.907 7.194 2.985 1347 3HG2 VAL 80 HG23 VAL 80 -4.641 8.274 3.568 1348 H THR 81 HN THR 81 -2.251 7.560 1.625 1349 HA THR 81 HA THR 81 -1.401 8.815 4.082 1350 HB THR 81 HB THR 81 0.182 6.880 2.371 1351 HG1 THR 81 HG1 THR 81 -0.908 5.265 3.390 1352 1HG2 THR 81 HG21 THR 81 0.983 6.181 4.687 1353 2HG2 THR 81 HG22 THR 81 0.208 7.646 5.289 1354 3HG2 THR 81 HG23 THR 81 1.523 7.764 4.128 1355 H THR 82 HN THR 82 -0.260 8.845 0.689 1356 HA THR 82 HA THR 82 2.164 10.243 1.194 1357 HB THR 82 HB THR 82 1.794 10.993 -1.252 1358 HG1 THR 82 HG1 THR 82 -0.213 10.757 -1.795 1359 1HG2 THR 82 HG21 THR 82 3.205 9.168 -1.149 1360 2HG2 THR 82 HG22 THR 82 1.820 8.365 -1.894 1361 3HG2 THR 82 HG23 THR 82 2.103 8.217 -0.155 1362 H ALA 83 HN ALA 83 -1.186 11.464 0.716 1363 HA ALA 83 HA ALA 83 -0.364 14.226 0.621 1364 1HB ALA 83 HB1 ALA 83 -3.027 13.165 1.612 1365 2HB ALA 83 HB2 ALA 83 -2.635 13.323 -0.100 1366 3HB ALA 83 HB3 ALA 83 -2.693 14.756 0.927 1367 H CYS 84 HN CYS 84 -1.540 12.071 3.207 1368 HA CYS 84 HA CYS 84 -1.499 13.905 5.352 1369 1HB CYS 84 HB2 CYS 84 -2.344 11.645 5.677 1370 2HB CYS 84 HB1 CYS 84 -0.762 10.959 5.304 1371 HG CYS 84 HG CYS 84 0.081 12.337 7.513 1372 H HIS 85 HN HIS 85 1.122 12.103 3.816 1373 HA HIS 85 HA HIS 85 3.159 12.993 5.686 1374 1HB HIS 85 HB2 HIS 85 3.406 10.940 4.299 1375 2HB HIS 85 HB1 HIS 85 3.447 11.943 2.851 1376 HD1 HIS 85 HD1 HIS 85 5.244 12.319 6.204 1377 HD2 HIS 85 HD2 HIS 85 6.094 12.079 2.137 1378 HE1 HIS 85 HE1 HIS 85 7.747 12.642 5.977 1379 H GLU 86 HN GLU 86 1.724 14.191 2.738 1380 HA GLU 86 HA GLU 86 3.768 16.187 2.201 1381 1HB GLU 86 HB2 GLU 86 2.241 15.289 0.450 1382 2HB GLU 86 HB1 GLU 86 0.891 16.077 1.264 1383 1HG GLU 86 HG2 GLU 86 1.748 18.249 0.815 1384 2HG GLU 86 HG1 GLU 86 3.329 17.616 0.357 1385 H PHE 87 HN PHE 87 0.483 16.323 3.599 1386 HA PHE 87 HA PHE 87 0.417 19.084 4.178 1387 1HB PHE 87 HB2 PHE 87 -0.817 16.678 5.525 1388 2HB PHE 87 HB1 PHE 87 -1.038 18.288 6.210 1389 HD1 PHE 87 HD1 PHE 87 -1.794 20.159 4.521 1390 HD2 PHE 87 HD2 PHE 87 -2.291 15.945 3.847 1391 HE1 PHE 87 HE1 PHE 87 -3.580 20.632 2.865 1392 HE2 PHE 87 HE2 PHE 87 -4.070 16.419 2.189 1393 HZ PHE 87 HZ PHE 87 -4.714 18.762 1.699 1394 H PHE 88 HN PHE 88 1.567 16.437 6.319 1395 HA PHE 88 HA PHE 88 2.509 18.172 8.393 1396 1HB PHE 88 HB2 PHE 88 2.195 15.631 8.519 1397 2HB PHE 88 HB1 PHE 88 3.744 15.499 7.683 1398 HD1 PHE 88 HD1 PHE 88 2.152 17.177 10.633 1399 HD2 PHE 88 HD2 PHE 88 5.738 15.526 8.936 1400 HE1 PHE 88 HE1 PHE 88 3.334 17.525 12.785 1401 HE2 PHE 88 HE2 PHE 88 6.916 15.875 11.089 1402 HZ PHE 88 HZ PHE 88 5.714 16.874 13.013 1403 H GLU 89 HN GLU 89 4.505 16.365 6.024 1404 HA GLU 89 HA GLU 89 6.726 18.243 6.424 1405 1HB GLU 89 HB2 GLU 89 6.858 15.683 5.960 1406 2HB GLU 89 HB1 GLU 89 6.597 16.127 4.274 1407 1HG GLU 89 HG2 GLU 89 8.548 17.703 4.456 1408 2HG GLU 89 HG1 GLU 89 8.849 17.067 6.073 1409 H HIS 90 HN HIS 90 4.552 19.664 5.487 1410 HA HIS 90 HA HIS 90 4.539 19.906 2.604 1411 1HB HIS 90 HB2 HIS 90 2.697 20.669 4.173 1412 2HB HIS 90 HB1 HIS 90 3.745 22.010 4.635 1413 HD1 HIS 90 HD1 HIS 90 2.721 23.993 3.496 1414 HD2 HIS 90 HD2 HIS 90 3.042 20.727 0.922 1415 HE1 HIS 90 HE1 HIS 90 2.012 24.814 1.207 1416 HE2 HIS 90 HE2 HIS 90 2.204 22.835 -0.368 1417 H GLU 91 HN GLU 91 6.579 20.305 1.756 1418 HA GLU 91 HA GLU 91 8.458 22.149 2.967 1419 1HB GLU 91 HB2 GLU 91 8.354 21.006 0.155 1420 2HB GLU 91 HB1 GLU 91 9.707 21.921 0.820 1421 1HG GLU 91 HG2 GLU 91 10.032 20.242 2.565 1422 2HG GLU 91 HG1 GLU 91 8.626 19.345 1.991 Start of MODEL 4 1 1H MET 0 HT1 MET 0 -8.450 8.610 13.480 2 2H MET 0 HT2 MET 0 -8.511 7.066 12.778 3 3H MET 0 HT3 MET 0 -7.063 7.954 12.759 4 HA MET 0 HA MET 0 -6.460 7.201 14.741 5 1HB MET 0 HB2 MET 0 -8.169 7.286 16.658 6 2HB MET 0 HB1 MET 0 -7.747 8.826 15.910 7 1HG MET 0 HG2 MET 0 -9.777 8.934 14.703 8 2HG MET 0 HG1 MET 0 -10.106 7.216 14.932 9 1HE MET 0 HE1 MET 0 -10.445 10.725 16.064 10 2HE MET 0 HE2 MET 0 -9.152 10.343 17.197 11 3HE MET 0 HE3 MET 0 -10.767 10.700 17.803 12 H SER 1 HN SER 1 -8.027 5.570 12.649 13 HA SER 1 HA SER 1 -8.870 3.285 14.396 14 1HB SER 1 HB2 SER 1 -9.869 2.433 12.219 15 2HB SER 1 HB1 SER 1 -10.615 3.885 12.877 16 HG SER 1 HG SER 1 -9.625 3.592 10.496 17 H GLU 2 HN GLU 2 -8.560 1.181 12.772 18 HA GLU 2 HA GLU 2 -5.847 0.447 12.962 19 1HB GLU 2 HB2 GLU 2 -8.019 -0.551 11.101 20 2HB GLU 2 HB1 GLU 2 -6.450 -1.337 11.281 21 1HG GLU 2 HG2 GLU 2 -6.851 -1.772 13.616 22 2HG GLU 2 HG1 GLU 2 -8.309 -0.778 13.603 23 H LEU 3 HN LEU 3 -7.407 2.468 10.652 24 HA LEU 3 HA LEU 3 -5.363 2.096 8.578 25 1HB LEU 3 HB2 LEU 3 -7.664 4.044 8.870 26 2HB LEU 3 HB1 LEU 3 -6.572 4.030 7.489 27 HG LEU 3 HG LEU 3 -8.649 2.769 7.040 28 1HD1 LEU 3 HD11 LEU 3 -6.535 0.652 7.204 29 2HD1 LEU 3 HD12 LEU 3 -6.227 2.079 6.214 30 3HD1 LEU 3 HD13 LEU 3 -7.622 1.056 5.879 31 1HD2 LEU 3 HD21 LEU 3 -9.354 0.929 8.292 32 2HD2 LEU 3 HD22 LEU 3 -8.779 2.028 9.540 33 3HD2 LEU 3 HD23 LEU 3 -7.765 0.683 9.012 34 H GLU 4 HN GLU 4 -5.953 4.279 11.269 35 HA GLU 4 HA GLU 4 -4.070 6.293 10.301 36 1HB GLU 4 HB2 GLU 4 -5.976 6.819 11.858 37 2HB GLU 4 HB1 GLU 4 -5.137 5.909 13.115 38 1HG GLU 4 HG2 GLU 4 -3.341 7.448 13.201 39 2HG GLU 4 HG1 GLU 4 -3.761 8.163 11.645 40 H LYS 5 HN LYS 5 -3.935 3.371 12.163 41 HA LYS 5 HA LYS 5 -1.353 3.897 13.393 42 1HB LYS 5 HB2 LYS 5 -2.679 1.224 12.848 43 2HB LYS 5 HB1 LYS 5 -1.418 1.554 14.038 44 1HG LYS 5 HG2 LYS 5 -2.891 2.928 15.351 45 2HG LYS 5 HG1 LYS 5 -4.118 2.925 14.089 46 1HD LYS 5 HD2 LYS 5 -4.027 0.286 14.444 47 2HD LYS 5 HD1 LYS 5 -3.375 0.741 16.017 48 1HE LYS 5 HE2 LYS 5 -5.342 2.148 16.442 49 2HE LYS 5 HE1 LYS 5 -5.985 1.750 14.851 50 1HZ LYS 5 HZ1 LYS 5 -6.966 0.374 16.587 51 2HZ LYS 5 HZ2 LYS 5 -5.427 -0.201 17.021 52 3HZ LYS 5 HZ3 LYS 5 -6.077 -0.569 15.494 53 H ALA 6 HN ALA 6 -2.471 1.886 10.658 54 HA ALA 6 HA ALA 6 0.110 1.049 9.803 55 1HB ALA 6 HB1 ALA 6 -0.981 0.660 7.599 56 2HB ALA 6 HB2 ALA 6 -2.405 1.517 8.190 57 3HB ALA 6 HB3 ALA 6 -1.912 0.003 8.943 58 H MET 7 HN MET 7 -1.873 3.724 8.530 59 HA MET 7 HA MET 7 0.030 4.719 6.707 60 1HB MET 7 HB2 MET 7 -2.092 6.152 8.331 61 2HB MET 7 HB1 MET 7 -1.134 6.964 7.098 62 1HG MET 7 HG2 MET 7 -1.926 4.992 5.552 63 2HG MET 7 HG1 MET 7 -3.187 4.791 6.762 64 1HE MET 7 HE1 MET 7 -5.226 5.339 5.732 65 2HE MET 7 HE2 MET 7 -5.792 6.994 5.519 66 3HE MET 7 HE3 MET 7 -5.219 6.462 7.099 67 H VAL 8 HN VAL 8 -0.241 5.294 10.197 68 HA VAL 8 HA VAL 8 1.845 7.322 10.228 69 HB VAL 8 HB VAL 8 0.411 5.677 12.312 70 1HG1 VAL 8 HG11 VAL 8 2.939 7.285 12.721 71 2HG1 VAL 8 HG12 VAL 8 2.593 5.639 13.255 72 3HG1 VAL 8 HG13 VAL 8 1.789 7.005 14.028 73 1HG2 VAL 8 HG21 VAL 8 -0.165 7.950 13.152 74 2HG2 VAL 8 HG22 VAL 8 -0.663 7.710 11.477 75 3HG2 VAL 8 HG23 VAL 8 0.783 8.652 11.840 76 H ALA 9 HN ALA 9 1.731 3.879 11.019 77 HA ALA 9 HA ALA 9 4.428 3.517 11.757 78 1HB ALA 9 HB1 ALA 9 2.688 1.771 11.975 79 2HB ALA 9 HB2 ALA 9 4.105 1.156 11.127 80 3HB ALA 9 HB3 ALA 9 2.659 1.593 10.224 81 H LEU 10 HN LEU 10 2.976 3.657 8.512 82 HA LEU 10 HA LEU 10 5.506 2.959 7.218 83 1HB LEU 10 HB2 LEU 10 2.746 3.690 6.324 84 2HB LEU 10 HB1 LEU 10 4.058 3.895 5.165 85 HG LEU 10 HG LEU 10 4.670 1.570 5.323 86 1HD1 LEU 10 HD11 LEU 10 2.804 1.585 7.695 87 2HD1 LEU 10 HD12 LEU 10 4.451 0.965 7.591 88 3HD1 LEU 10 HD13 LEU 10 3.133 0.083 6.833 89 1HD2 LEU 10 HD21 LEU 10 1.651 1.549 5.325 90 2HD2 LEU 10 HD22 LEU 10 2.750 0.575 4.347 91 3HD2 LEU 10 HD23 LEU 10 2.562 2.296 4.011 92 H ILE 11 HN ILE 11 3.639 6.026 7.475 93 HA ILE 11 HA ILE 11 5.221 7.701 5.959 94 HB ILE 11 HB ILE 11 3.888 8.200 8.632 95 1HG1 ILE 11 HG12 ILE 11 3.250 9.248 5.866 96 2HG1 ILE 11 HG11 ILE 11 2.587 7.741 6.490 97 1HG2 ILE 11 HG21 ILE 11 5.615 9.853 8.602 98 2HG2 ILE 11 HG22 ILE 11 4.182 10.669 7.979 99 3HG2 ILE 11 HG23 ILE 11 5.435 10.114 6.868 100 1HD1 ILE 11 HD11 ILE 11 1.094 9.754 6.828 101 2HD1 ILE 11 HD12 ILE 11 2.322 10.398 7.919 102 3HD1 ILE 11 HD13 ILE 11 1.495 8.890 8.312 103 H ASP 12 HN ASP 12 6.064 6.236 9.034 104 HA ASP 12 HA ASP 12 8.449 7.893 9.396 105 1HB ASP 12 HB2 ASP 12 7.170 6.764 11.281 106 2HB ASP 12 HB1 ASP 12 7.837 5.233 10.711 107 H VAL 13 HN VAL 13 7.837 4.501 8.500 108 HA VAL 13 HA VAL 13 10.610 4.005 7.790 109 HB VAL 13 HB VAL 13 8.088 2.445 7.105 110 1HG1 VAL 13 HG11 VAL 13 10.950 1.476 7.270 111 2HG1 VAL 13 HG12 VAL 13 10.149 1.891 5.755 112 3HG1 VAL 13 HG13 VAL 13 9.536 0.561 6.741 113 1HG2 VAL 13 HG21 VAL 13 8.436 2.835 9.534 114 2HG2 VAL 13 HG22 VAL 13 10.052 2.144 9.397 115 3HG2 VAL 13 HG23 VAL 13 8.637 1.142 9.102 116 H PHE 14 HN PHE 14 7.787 5.180 6.179 117 HA PHE 14 HA PHE 14 8.775 4.753 3.467 118 1HB PHE 14 HB2 PHE 14 6.444 4.962 3.527 119 2HB PHE 14 HB1 PHE 14 6.499 6.284 4.680 120 HD1 PHE 14 HD1 PHE 14 5.246 7.961 3.580 121 HD2 PHE 14 HD2 PHE 14 8.449 5.983 1.508 122 HE1 PHE 14 HE1 PHE 14 5.069 9.603 1.737 123 HE2 PHE 14 HE2 PHE 14 8.275 7.634 -0.333 124 HZ PHE 14 HZ PHE 14 6.585 9.445 -0.217 125 H HIS 15 HN HIS 15 8.747 7.563 5.672 126 HA HIS 15 HA HIS 15 10.104 9.240 3.720 127 1HB HIS 15 HB2 HIS 15 8.561 9.849 5.813 128 2HB HIS 15 HB1 HIS 15 10.109 9.920 6.647 129 HD1 HIS 15 HD1 HIS 15 8.573 12.515 6.322 130 HD2 HIS 15 HD2 HIS 15 11.327 11.189 3.486 131 HE1 HIS 15 HE1 HIS 15 9.289 14.558 5.008 132 H GLN 16 HN GLN 16 11.134 7.233 6.449 133 HA GLN 16 HA GLN 16 13.806 8.284 6.631 134 1HB GLN 16 HB2 GLN 16 12.559 5.658 7.452 135 2HB GLN 16 HB1 GLN 16 14.262 6.018 7.739 136 1HG GLN 16 HG2 GLN 16 12.043 7.866 8.632 137 2HG GLN 16 HG1 GLN 16 12.670 6.574 9.657 138 1HE2 GLN 16 HE21 GLN 16 13.056 9.091 10.666 139 2HE2 GLN 16 HE22 GLN 16 14.671 9.581 10.485 140 H TYR 17 HN TYR 17 12.401 5.666 4.696 141 HA TYR 17 HA TYR 17 15.065 4.985 3.591 142 1HB TYR 17 HB2 TYR 17 12.281 3.867 3.265 143 2HB TYR 17 HB1 TYR 17 13.542 3.449 2.105 144 HD1 TYR 17 HD1 TYR 17 12.723 3.458 5.748 145 HD2 TYR 17 HD2 TYR 17 15.218 1.850 2.642 146 HE1 TYR 17 HE1 TYR 17 13.671 1.821 7.353 147 HE2 TYR 17 HE2 TYR 17 16.161 0.212 4.246 148 HH TYR 17 HH TYR 17 16.379 0.311 7.052 149 H SER 18 HN SER 18 11.938 6.142 2.282 150 HA SER 18 HA SER 18 12.903 6.790 -0.303 151 1HB SER 18 HB2 SER 18 10.936 8.061 -0.549 152 2HB SER 18 HB1 SER 18 10.485 6.877 0.667 153 HG SER 18 HG SER 18 10.605 8.391 2.204 154 H GLY 19 HN GLY 19 13.436 8.233 2.778 155 1HA GLY 19 HA2 GLY 19 14.570 10.719 1.587 156 2HA GLY 19 HA1 GLY 19 14.240 10.459 3.299 157 H ARG 20 HN ARG 20 15.672 7.654 2.195 158 HA ARG 20 HA ARG 20 18.129 8.156 3.607 159 1HB ARG 20 HB2 ARG 20 17.169 5.892 3.325 160 2HB ARG 20 HB1 ARG 20 17.461 5.988 1.592 161 1HG ARG 20 HG2 ARG 20 19.914 6.275 2.088 162 2HG ARG 20 HG1 ARG 20 19.548 5.997 3.791 163 1HD ARG 20 HD2 ARG 20 18.981 4.079 1.514 164 2HD ARG 20 HD1 ARG 20 20.271 3.911 2.707 165 HE ARG 20 HE ARG 20 17.440 3.328 3.145 166 1HH1 ARG 20 HH21 ARG 20 20.480 4.212 4.516 167 2HH1 ARG 20 HH22 ARG 20 20.096 3.602 6.091 168 1HH2 ARG 20 HH11 ARG 20 16.922 2.531 5.191 169 2HH2 ARG 20 HH12 ARG 20 18.081 2.652 6.474 170 H GLU 21 HN GLU 21 17.338 7.929 0.142 171 HA GLU 21 HA GLU 21 19.541 9.792 -0.467 172 1HB GLU 21 HB2 GLU 21 20.333 8.075 -2.287 173 2HB GLU 21 HB1 GLU 21 20.891 7.881 -0.625 174 1HG GLU 21 HG2 GLU 21 19.351 6.135 -0.186 175 2HG GLU 21 HG1 GLU 21 18.388 6.511 -1.613 176 H GLY 22 HN GLY 22 19.314 10.724 -2.574 177 1HA GLY 22 HA2 GLY 22 18.237 10.915 -4.745 178 2HA GLY 22 HA1 GLY 22 16.915 9.915 -4.149 179 H ASP 23 HN ASP 23 15.499 11.632 -4.963 180 HA ASP 23 HA ASP 23 15.486 14.313 -4.178 181 1HB ASP 23 HB2 ASP 23 13.846 13.384 -5.757 182 2HB ASP 23 HB1 ASP 23 13.098 12.460 -4.455 183 H LYS 24 HN LYS 24 12.898 12.511 -2.670 184 HA LYS 24 HA LYS 24 13.989 12.486 -0.008 185 1HB LYS 24 HB2 LYS 24 13.635 14.999 -0.549 186 2HB LYS 24 HB1 LYS 24 11.919 14.644 -0.445 187 1HG LYS 24 HG2 LYS 24 12.522 15.383 1.727 188 2HG LYS 24 HG1 LYS 24 12.403 13.635 1.861 189 1HD LYS 24 HD2 LYS 24 14.732 13.347 1.988 190 2HD LYS 24 HD1 LYS 24 15.066 14.904 1.235 191 1HE LYS 24 HE2 LYS 24 13.779 14.592 3.957 192 2HE LYS 24 HE1 LYS 24 15.507 14.848 3.712 193 1HZ LYS 24 HZ1 LYS 24 15.101 16.936 2.714 194 2HZ LYS 24 HZ2 LYS 24 14.168 16.900 4.134 195 3HZ LYS 24 HZ3 LYS 24 13.429 16.661 2.624 196 H HIS 25 HN HIS 25 11.542 11.852 -2.289 197 HA HIS 25 HA HIS 25 10.027 10.330 -0.220 198 1HB HIS 25 HB2 HIS 25 8.525 11.932 -2.283 199 2HB HIS 25 HB1 HIS 25 7.948 11.279 -0.749 200 HD2 HIS 25 HD2 HIS 25 8.908 14.646 -2.039 201 HE1 HIS 25 HE1 HIS 25 10.054 14.753 2.025 202 HE2 HIS 25 HE2 HIS 25 9.649 16.159 -0.047 203 H LYS 26 HN LYS 26 11.855 9.411 -2.340 204 HA LYS 26 HA LYS 26 9.921 7.628 -3.737 205 1HB LYS 26 HB2 LYS 26 12.239 9.148 -4.966 206 2HB LYS 26 HB1 LYS 26 11.512 7.730 -5.722 207 1HG LYS 26 HG2 LYS 26 9.413 8.810 -5.992 208 2HG LYS 26 HG1 LYS 26 9.843 10.099 -4.870 209 1HD LYS 26 HD2 LYS 26 9.941 10.796 -7.279 210 2HD LYS 26 HD1 LYS 26 11.471 10.994 -6.425 211 1HE LYS 26 HE2 LYS 26 11.597 9.905 -8.739 212 2HE LYS 26 HE1 LYS 26 12.401 9.045 -7.427 213 1HZ LYS 26 HZ1 LYS 26 9.632 8.345 -7.722 214 2HZ LYS 26 HZ2 LYS 26 10.999 7.344 -7.596 215 3HZ LYS 26 HZ3 LYS 26 10.552 7.992 -9.101 216 H LEU 27 HN LEU 27 10.731 5.512 -3.955 217 HA LEU 27 HA LEU 27 13.058 4.944 -2.199 218 1HB LEU 27 HB2 LEU 27 10.742 3.324 -3.221 219 2HB LEU 27 HB1 LEU 27 12.213 2.480 -2.757 220 HG LEU 27 HG LEU 27 11.976 3.964 -0.533 221 1HD1 LEU 27 HD11 LEU 27 9.150 3.806 -1.605 222 2HD1 LEU 27 HD12 LEU 27 10.058 5.270 -1.238 223 3HD1 LEU 27 HD13 LEU 27 9.567 4.188 0.065 224 1HD2 LEU 27 HD21 LEU 27 10.591 2.106 0.424 225 2HD2 LEU 27 HD22 LEU 27 12.004 1.575 -0.476 226 3HD2 LEU 27 HD23 LEU 27 10.409 1.480 -1.212 227 H LYS 28 HN LYS 28 14.851 4.068 -2.850 228 HA LYS 28 HA LYS 28 15.315 3.625 -5.789 229 1HB LYS 28 HB2 LYS 28 17.202 4.398 -3.545 230 2HB LYS 28 HB1 LYS 28 17.755 3.911 -5.149 231 1HG LYS 28 HG2 LYS 28 16.414 5.737 -6.151 232 2HG LYS 28 HG1 LYS 28 15.912 6.238 -4.534 233 1HD LYS 28 HD2 LYS 28 18.150 6.810 -3.916 234 2HD LYS 28 HD1 LYS 28 18.819 6.026 -5.345 235 1HE LYS 28 HE2 LYS 28 16.840 8.252 -5.723 236 2HE LYS 28 HE1 LYS 28 18.503 8.652 -5.295 237 1HZ LYS 28 HZ1 LYS 28 17.445 7.722 -7.774 238 2HZ LYS 28 HZ2 LYS 28 18.732 6.750 -7.241 239 3HZ LYS 28 HZ3 LYS 28 18.952 8.422 -7.441 240 H LYS 29 HN LYS 29 16.672 1.727 -6.345 241 HA LYS 29 HA LYS 29 15.959 -0.691 -5.185 242 1HB LYS 29 HB2 LYS 29 18.581 0.091 -6.488 243 2HB LYS 29 HB1 LYS 29 18.197 -1.571 -6.041 244 1HG LYS 29 HG2 LYS 29 16.042 -1.265 -7.423 245 2HG LYS 29 HG1 LYS 29 16.809 0.183 -8.076 246 1HD LYS 29 HD2 LYS 29 17.983 -2.614 -8.165 247 2HD LYS 29 HD1 LYS 29 17.216 -1.785 -9.520 248 1HE LYS 29 HE2 LYS 29 18.938 0.084 -9.140 249 2HE LYS 29 HE1 LYS 29 19.792 -1.069 -8.115 250 1HZ LYS 29 HZ1 LYS 29 20.743 -1.642 -10.051 251 2HZ LYS 29 HZ2 LYS 29 19.469 -1.036 -10.997 252 3HZ LYS 29 HZ3 LYS 29 19.335 -2.562 -10.264 253 H SER 30 HN SER 30 18.842 1.240 -4.351 254 HA SER 30 HA SER 30 19.920 -0.374 -2.330 255 1HB SER 30 HB2 SER 30 20.501 1.967 -1.247 256 2HB SER 30 HB1 SER 30 21.204 1.527 -2.801 257 HG SER 30 HG SER 30 19.056 3.259 -2.223 258 H GLU 31 HN GLU 31 16.887 1.171 -2.401 259 HA GLU 31 HA GLU 31 16.549 0.980 0.571 260 1HB GLU 31 HB2 GLU 31 14.642 2.179 -1.454 261 2HB GLU 31 HB1 GLU 31 14.567 2.333 0.300 262 1HG GLU 31 HG2 GLU 31 16.724 3.530 0.293 263 2HG GLU 31 HG1 GLU 31 16.800 3.382 -1.464 264 H LEU 32 HN LEU 32 14.960 0.012 -2.455 265 HA LEU 32 HA LEU 32 12.999 -1.611 -1.229 266 1HB LEU 32 HB2 LEU 32 12.751 -0.807 -3.499 267 2HB LEU 32 HB1 LEU 32 14.221 -1.634 -3.983 268 HG LEU 32 HG LEU 32 13.122 -3.798 -3.483 269 1HD1 LEU 32 HD11 LEU 32 10.760 -2.014 -2.941 270 2HD1 LEU 32 HD12 LEU 32 11.454 -3.237 -1.877 271 3HD1 LEU 32 HD13 LEU 32 10.588 -3.728 -3.340 272 1HD2 LEU 32 HD21 LEU 32 13.089 -2.627 -5.755 273 2HD2 LEU 32 HD22 LEU 32 11.449 -2.123 -5.361 274 3HD2 LEU 32 HD23 LEU 32 11.832 -3.832 -5.503 275 H LYS 33 HN LYS 33 16.294 -2.352 -2.256 276 HA LYS 33 HA LYS 33 15.926 -5.191 -1.542 277 1HB LYS 33 HB2 LYS 33 17.467 -4.679 -3.353 278 2HB LYS 33 HB1 LYS 33 18.372 -3.569 -2.331 279 1HG LYS 33 HG2 LYS 33 18.097 -6.343 -1.258 280 2HG LYS 33 HG1 LYS 33 19.066 -6.203 -2.722 281 1HD LYS 33 HD2 LYS 33 19.549 -4.296 -0.443 282 2HD LYS 33 HD1 LYS 33 20.216 -5.922 -0.374 283 1HE LYS 33 HE2 LYS 33 20.621 -4.107 -2.755 284 2HE LYS 33 HE1 LYS 33 21.736 -4.141 -1.390 285 1HZ LYS 33 HZ1 LYS 33 21.458 -6.746 -1.923 286 2HZ LYS 33 HZ2 LYS 33 22.702 -5.774 -2.552 287 3HZ LYS 33 HZ3 LYS 33 21.316 -6.094 -3.482 288 H GLU 34 HN GLU 34 17.344 -2.268 -0.207 289 HA GLU 34 HA GLU 34 18.442 -3.636 2.141 290 1HB GLU 34 HB2 GLU 34 19.358 -1.470 1.272 291 2HB GLU 34 HB1 GLU 34 17.891 -0.676 1.858 292 1HG GLU 34 HG2 GLU 34 18.380 -1.283 4.132 293 2HG GLU 34 HG1 GLU 34 19.705 -2.332 3.625 294 H LEU 35 HN LEU 35 15.429 -2.019 1.383 295 HA LEU 35 HA LEU 35 14.496 -1.882 4.130 296 1HB LEU 35 HB2 LEU 35 13.579 -0.449 2.307 297 2HB LEU 35 HB1 LEU 35 12.931 -1.890 1.525 298 HG LEU 35 HG LEU 35 11.729 -2.287 3.843 299 1HD1 LEU 35 HD11 LEU 35 12.334 0.683 3.929 300 2HD1 LEU 35 HD12 LEU 35 12.867 -0.527 5.095 301 3HD1 LEU 35 HD13 LEU 35 11.155 -0.132 4.954 302 1HD2 LEU 35 HD21 LEU 35 10.598 -1.746 1.695 303 2HD2 LEU 35 HD22 LEU 35 10.861 -0.030 2.010 304 3HD2 LEU 35 HD23 LEU 35 9.812 -0.970 3.070 305 H ILE 36 HN ILE 36 14.465 -4.257 1.557 306 HA ILE 36 HA ILE 36 12.548 -6.016 2.862 307 HB ILE 36 HB ILE 36 14.482 -6.396 0.570 308 1HG1 ILE 36 HG12 ILE 36 11.457 -6.408 0.621 309 2HG1 ILE 36 HG11 ILE 36 12.386 -4.937 0.365 310 1HG2 ILE 36 HG21 ILE 36 13.148 -8.519 0.188 311 2HG2 ILE 36 HG22 ILE 36 12.508 -8.320 1.818 312 3HG2 ILE 36 HG23 ILE 36 14.233 -8.571 1.575 313 1HD1 ILE 36 HD11 ILE 36 12.354 -7.420 -1.361 314 2HD1 ILE 36 HD12 ILE 36 13.551 -6.140 -1.550 315 3HD1 ILE 36 HD13 ILE 36 11.842 -5.797 -1.812 316 H ASN 37 HN ASN 37 16.098 -5.805 2.690 317 HA ASN 37 HA ASN 37 16.415 -8.227 4.322 318 1HB ASN 37 HB2 ASN 37 18.050 -7.383 2.525 319 2HB ASN 37 HB1 ASN 37 18.568 -6.196 3.722 320 1HD2 ASN 37 HD21 ASN 37 18.661 -7.559 6.088 321 2HD2 ASN 37 HD22 ASN 37 19.693 -8.904 5.991 322 H ASN 38 HN ASN 38 16.179 -4.792 4.873 323 HA ASN 38 HA ASN 38 17.243 -5.062 7.641 324 1HB ASN 38 HB2 ASN 38 16.221 -2.621 6.164 325 2HB ASN 38 HB1 ASN 38 17.023 -2.616 7.733 326 1HD2 ASN 38 HD21 ASN 38 18.976 -1.542 7.128 327 2HD2 ASN 38 HD22 ASN 38 20.069 -2.175 5.993 328 H GLU 39 HN GLU 39 14.182 -4.095 6.060 329 HA GLU 39 HA GLU 39 12.846 -4.156 8.736 330 1HB GLU 39 HB2 GLU 39 12.303 -2.851 6.106 331 2HB GLU 39 HB1 GLU 39 10.888 -3.350 7.024 332 1HG GLU 39 HG2 GLU 39 11.703 -0.983 7.478 333 2HG GLU 39 HG1 GLU 39 11.519 -2.004 8.904 334 H LEU 40 HN LEU 40 11.768 -5.192 5.473 335 HA LEU 40 HA LEU 40 10.113 -7.273 6.649 336 1HB LEU 40 HB2 LEU 40 10.836 -7.400 3.742 337 2HB LEU 40 HB1 LEU 40 9.270 -7.614 4.517 338 HG LEU 40 HG LEU 40 10.705 -4.972 4.090 339 1HD1 LEU 40 HD11 LEU 40 9.631 -6.166 2.107 340 2HD1 LEU 40 HD12 LEU 40 9.050 -4.533 2.435 341 3HD1 LEU 40 HD13 LEU 40 8.088 -5.927 2.926 342 1HD2 LEU 40 HD21 LEU 40 9.366 -4.982 6.184 343 2HD2 LEU 40 HD22 LEU 40 7.971 -5.563 5.276 344 3HD2 LEU 40 HD23 LEU 40 8.626 -3.956 4.953 345 H SER 41 HN SER 41 12.875 -7.559 7.453 346 HA SER 41 HA SER 41 13.888 -9.840 5.851 347 1HB SER 41 HB2 SER 41 15.912 -9.117 6.582 348 2HB SER 41 HB1 SER 41 15.083 -7.783 7.381 349 HG SER 41 HG SER 41 15.826 -10.308 8.413 350 H HIS 42 HN HIS 42 12.058 -9.265 8.746 351 HA HIS 42 HA HIS 42 12.686 -11.955 9.837 352 1HB HIS 42 HB2 HIS 42 10.648 -9.976 10.884 353 2HB HIS 42 HB1 HIS 42 11.431 -11.294 11.757 354 HD1 HIS 42 HD1 HIS 42 14.348 -10.888 11.180 355 HD2 HIS 42 HD2 HIS 42 11.784 -7.682 11.924 356 HE1 HIS 42 HE1 HIS 42 15.809 -8.964 11.946 357 HE2 HIS 42 HE2 HIS 42 14.258 -7.009 12.403 358 H PHE 43 HN PHE 43 10.374 -10.337 7.859 359 HA PHE 43 HA PHE 43 8.481 -12.651 8.052 360 1HB PHE 43 HB2 PHE 43 8.045 -9.841 8.088 361 2HB PHE 43 HB1 PHE 43 7.480 -10.370 6.509 362 HD1 PHE 43 HD1 PHE 43 6.626 -10.049 9.948 363 HD2 PHE 43 HD2 PHE 43 5.960 -12.521 6.497 364 HE1 PHE 43 HE1 PHE 43 4.552 -10.930 10.981 365 HE2 PHE 43 HE2 PHE 43 3.885 -13.403 7.531 366 HZ PHE 43 HZ PHE 43 3.182 -12.608 9.772 367 H LEU 44 HN LEU 44 10.280 -10.587 5.789 368 HA LEU 44 HA LEU 44 9.644 -12.517 3.605 369 1HB LEU 44 HB2 LEU 44 9.561 -9.795 3.541 370 2HB LEU 44 HB1 LEU 44 11.221 -10.046 3.019 371 HG LEU 44 HG LEU 44 10.391 -11.610 1.253 372 1HD1 LEU 44 HD11 LEU 44 8.307 -12.454 1.733 373 2HD1 LEU 44 HD12 LEU 44 7.759 -11.047 0.833 374 3HD1 LEU 44 HD13 LEU 44 7.793 -11.007 2.596 375 1HD2 LEU 44 HD21 LEU 44 10.851 -9.376 0.557 376 2HD2 LEU 44 HD22 LEU 44 9.403 -8.750 1.348 377 3HD2 LEU 44 HD23 LEU 44 9.256 -9.742 -0.103 378 H GLU 45 HN GLU 45 11.253 -13.763 2.715 379 HA GLU 45 HA GLU 45 13.518 -14.500 4.161 380 1HB GLU 45 HB2 GLU 45 13.006 -14.544 1.180 381 2HB GLU 45 HB1 GLU 45 14.463 -15.241 1.893 382 1HG GLU 45 HG2 GLU 45 13.142 -16.761 3.247 383 2HG GLU 45 HG1 GLU 45 11.644 -15.993 2.718 384 H GLU 46 HN GLU 46 15.507 -13.616 4.508 385 HA GLU 46 HA GLU 46 16.068 -10.909 3.952 386 1HB GLU 46 HB2 GLU 46 18.417 -11.458 4.564 387 2HB GLU 46 HB1 GLU 46 17.248 -12.129 5.700 388 1HG GLU 46 HG2 GLU 46 17.425 -14.239 4.014 389 2HG GLU 46 HG1 GLU 46 19.019 -13.543 3.734 390 H ILE 47 HN ILE 47 15.571 -10.629 1.678 391 HA ILE 47 HA ILE 47 16.826 -12.032 -0.439 392 HB ILE 47 HB ILE 47 15.595 -9.306 -0.133 393 1HG1 ILE 47 HG12 ILE 47 15.066 -11.611 -2.037 394 2HG1 ILE 47 HG11 ILE 47 14.242 -11.377 -0.500 395 1HG2 ILE 47 HG21 ILE 47 17.351 -8.670 -1.581 396 2HG2 ILE 47 HG22 ILE 47 15.998 -9.005 -2.655 397 3HG2 ILE 47 HG23 ILE 47 17.287 -10.192 -2.468 398 1HD1 ILE 47 HD11 ILE 47 12.746 -10.049 -1.532 399 2HD1 ILE 47 HD12 ILE 47 13.618 -10.220 -3.051 400 3HD1 ILE 47 HD13 ILE 47 14.034 -8.915 -1.944 401 H LYS 48 HN LYS 48 18.923 -12.150 -0.994 402 HA LYS 48 HA LYS 48 20.810 -10.009 -0.045 403 1HB LYS 48 HB2 LYS 48 21.048 -12.410 0.866 404 2HB LYS 48 HB1 LYS 48 21.570 -12.849 -0.761 405 1HG LYS 48 HG2 LYS 48 23.327 -11.066 -0.621 406 2HG LYS 48 HG1 LYS 48 22.856 -10.792 1.057 407 1HD LYS 48 HD2 LYS 48 23.432 -13.083 1.644 408 2HD LYS 48 HD1 LYS 48 23.785 -13.459 -0.043 409 1HE LYS 48 HE2 LYS 48 25.885 -13.029 1.096 410 2HE LYS 48 HE1 LYS 48 25.563 -11.685 -0.001 411 1HZ LYS 48 HZ1 LYS 48 24.877 -10.328 1.762 412 2HZ LYS 48 HZ2 LYS 48 26.278 -11.099 2.334 413 3HZ LYS 48 HZ3 LYS 48 24.746 -11.628 2.841 414 H GLU 49 HN GLU 49 19.438 -11.614 -2.746 415 HA GLU 49 HA GLU 49 21.609 -10.689 -4.576 416 1HB GLU 49 HB2 GLU 49 19.188 -12.462 -5.045 417 2HB GLU 49 HB1 GLU 49 20.348 -12.000 -6.292 418 1HG GLU 49 HG2 GLU 49 22.158 -13.086 -5.073 419 2HG GLU 49 HG1 GLU 49 21.073 -13.458 -3.733 420 H GLN 50 HN GLN 50 21.055 -9.282 -6.349 421 HA GLN 50 HA GLN 50 18.781 -7.478 -5.722 422 1HB GLN 50 HB2 GLN 50 21.037 -7.242 -7.739 423 2HB GLN 50 HB1 GLN 50 19.833 -5.995 -7.407 424 1HG GLN 50 HG2 GLN 50 20.592 -5.777 -5.120 425 2HG GLN 50 HG1 GLN 50 21.666 -7.165 -5.297 426 1HE2 GLN 50 HE21 GLN 50 23.130 -5.125 -4.524 427 2HE2 GLN 50 HE22 GLN 50 23.910 -4.316 -5.796 428 H GLU 51 HN GLU 51 19.809 -9.794 -8.150 429 HA GLU 51 HA GLU 51 18.233 -9.127 -10.325 430 1HB GLU 51 HB2 GLU 51 18.509 -11.960 -9.301 431 2HB GLU 51 HB1 GLU 51 18.297 -11.442 -10.973 432 1HG GLU 51 HG2 GLU 51 20.491 -10.212 -10.788 433 2HG GLU 51 HG1 GLU 51 20.715 -10.970 -9.210 434 H VAL 52 HN VAL 52 17.172 -10.470 -7.252 435 HA VAL 52 HA VAL 52 14.495 -11.030 -8.247 436 HB VAL 52 HB VAL 52 15.438 -12.212 -6.257 437 1HG1 VAL 52 HG11 VAL 52 15.031 -9.580 -4.822 438 2HG1 VAL 52 HG12 VAL 52 16.603 -10.100 -5.430 439 3HG1 VAL 52 HG13 VAL 52 15.780 -11.049 -4.194 440 1HG2 VAL 52 HG21 VAL 52 13.408 -12.176 -4.987 441 2HG2 VAL 52 HG22 VAL 52 12.939 -11.823 -6.649 442 3HG2 VAL 52 HG23 VAL 52 13.056 -10.517 -5.471 443 H VAL 53 HN VAL 53 16.132 -8.405 -6.579 444 HA VAL 53 HA VAL 53 13.716 -6.869 -6.248 445 HB VAL 53 HB VAL 53 16.306 -6.614 -5.292 446 1HG1 VAL 53 HG11 VAL 53 15.902 -4.202 -7.054 447 2HG1 VAL 53 HG12 VAL 53 16.951 -5.546 -7.511 448 3HG1 VAL 53 HG13 VAL 53 17.304 -4.602 -6.059 449 1HG2 VAL 53 HG21 VAL 53 14.499 -5.762 -4.050 450 2HG2 VAL 53 HG22 VAL 53 13.994 -4.716 -5.372 451 3HG2 VAL 53 HG23 VAL 53 15.444 -4.328 -4.455 452 H ASP 54 HN ASP 54 15.832 -7.591 -8.832 453 HA ASP 54 HA ASP 54 15.011 -5.339 -10.523 454 1HB ASP 54 HB2 ASP 54 17.182 -6.571 -10.853 455 2HB ASP 54 HB1 ASP 54 16.252 -7.993 -11.329 456 H LYS 55 HN LYS 55 14.012 -8.606 -9.791 457 HA LYS 55 HA LYS 55 12.021 -8.672 -11.960 458 1HB LYS 55 HB2 LYS 55 12.481 -10.884 -11.667 459 2HB LYS 55 HB1 LYS 55 13.257 -10.575 -10.130 460 1HG LYS 55 HG2 LYS 55 11.461 -12.109 -9.734 461 2HG LYS 55 HG1 LYS 55 10.943 -10.579 -9.061 462 1HD LYS 55 HD2 LYS 55 9.598 -10.140 -11.086 463 2HD LYS 55 HD1 LYS 55 10.187 -11.634 -11.805 464 1HE LYS 55 HE2 LYS 55 9.148 -12.931 -10.002 465 2HE LYS 55 HE1 LYS 55 8.599 -11.441 -9.232 466 1HZ LYS 55 HZ1 LYS 55 7.698 -11.194 -11.772 467 2HZ LYS 55 HZ2 LYS 55 6.769 -11.719 -10.449 468 3HZ LYS 55 HZ3 LYS 55 7.500 -12.853 -11.481 469 H VAL 56 HN VAL 56 11.866 -8.591 -8.347 470 HA VAL 56 HA VAL 56 9.114 -8.374 -8.039 471 HB VAL 56 HB VAL 56 11.093 -8.300 -6.303 472 1HG1 VAL 56 HG11 VAL 56 10.325 -5.379 -6.359 473 2HG1 VAL 56 HG12 VAL 56 11.792 -5.990 -7.118 474 3HG1 VAL 56 HG13 VAL 56 11.570 -6.150 -5.377 475 1HG2 VAL 56 HG21 VAL 56 8.381 -7.000 -5.987 476 2HG2 VAL 56 HG22 VAL 56 9.459 -7.278 -4.619 477 3HG2 VAL 56 HG23 VAL 56 8.853 -8.643 -5.555 478 H MET 57 HN MET 57 11.394 -5.796 -8.887 479 HA MET 57 HA MET 57 9.427 -3.699 -9.008 480 1HB MET 57 HB2 MET 57 12.081 -4.066 -10.423 481 2HB MET 57 HB1 MET 57 11.113 -2.597 -10.548 482 1HG MET 57 HG2 MET 57 11.294 -2.164 -8.208 483 2HG MET 57 HG1 MET 57 11.959 -3.766 -7.892 484 1HE MET 57 HE1 MET 57 13.156 -0.743 -7.129 485 2HE MET 57 HE2 MET 57 12.522 -0.189 -8.681 486 3HE MET 57 HE3 MET 57 14.250 -0.076 -8.347 487 H GLU 58 HN GLU 58 10.441 -6.198 -11.260 488 HA GLU 58 HA GLU 58 9.240 -5.151 -13.623 489 1HB GLU 58 HB2 GLU 58 10.787 -7.221 -13.321 490 2HB GLU 58 HB1 GLU 58 9.300 -8.100 -12.966 491 1HG GLU 58 HG2 GLU 58 8.372 -7.512 -15.130 492 2HG GLU 58 HG1 GLU 58 9.747 -6.462 -15.482 493 H THR 59 HN THR 59 7.923 -6.865 -10.865 494 HA THR 59 HA THR 59 5.268 -7.105 -12.144 495 HB THR 59 HB THR 59 6.167 -7.810 -9.336 496 HG1 THR 59 HG1 THR 59 6.106 -9.943 -10.231 497 1HG2 THR 59 HG21 THR 59 3.795 -7.500 -9.366 498 2HG2 THR 59 HG22 THR 59 4.069 -9.239 -9.470 499 3HG2 THR 59 HG23 THR 59 3.647 -8.325 -10.917 500 H LEU 60 HN LEU 60 6.934 -5.183 -9.692 501 HA LEU 60 HA LEU 60 4.413 -3.795 -8.981 502 1HB LEU 60 HB2 LEU 60 7.228 -3.790 -7.947 503 2HB LEU 60 HB1 LEU 60 6.235 -2.373 -7.625 504 HG LEU 60 HG LEU 60 6.125 -4.052 -5.810 505 1HD1 LEU 60 HD11 LEU 60 3.363 -4.168 -6.956 506 2HD1 LEU 60 HD12 LEU 60 4.070 -2.564 -6.767 507 3HD1 LEU 60 HD13 LEU 60 3.908 -3.623 -5.370 508 1HD2 LEU 60 HD21 LEU 60 6.399 -6.040 -7.310 509 2HD2 LEU 60 HD22 LEU 60 4.739 -5.808 -7.856 510 3HD2 LEU 60 HD23 LEU 60 5.065 -6.208 -6.170 511 H ASP 61 HN ASP 61 7.515 -2.949 -10.626 512 HA ASP 61 HA ASP 61 6.943 -0.224 -11.058 513 1HB ASP 61 HB2 ASP 61 9.079 -1.527 -11.526 514 2HB ASP 61 HB1 ASP 61 8.324 -2.009 -13.046 515 H GLU 62 HN GLU 62 4.858 0.168 -11.595 516 HA GLU 62 HA GLU 62 3.668 -1.145 -13.966 517 1HB GLU 62 HB2 GLU 62 1.636 0.145 -13.370 518 2HB GLU 62 HB1 GLU 62 2.225 -0.794 -11.999 519 1HG GLU 62 HG2 GLU 62 3.494 1.306 -11.284 520 2HG GLU 62 HG1 GLU 62 2.541 2.173 -12.487 521 H ASP 63 HN ASP 63 4.861 1.995 -12.909 522 HA ASP 63 HA ASP 63 4.181 3.254 -15.474 523 1HB ASP 63 HB2 ASP 63 5.579 5.154 -14.515 524 2HB ASP 63 HB1 ASP 63 4.168 4.708 -13.556 525 H GLY 64 HN GLY 64 6.493 1.073 -14.448 526 1HA GLY 64 HA2 GLY 64 8.497 0.348 -15.459 527 2HA GLY 64 HA1 GLY 64 8.026 1.305 -16.866 528 H ASP 65 HN ASP 65 8.666 2.330 -13.510 529 HA ASP 65 HA ASP 65 10.522 4.403 -14.599 530 1HB ASP 65 HB2 ASP 65 10.290 5.437 -12.365 531 2HB ASP 65 HB1 ASP 65 8.714 5.174 -13.113 532 H GLY 66 HN GLY 66 10.652 1.325 -13.251 533 1HA GLY 66 HA2 GLY 66 12.500 0.096 -12.451 534 2HA GLY 66 HA1 GLY 66 13.522 1.447 -12.946 535 H GLU 67 HN GLU 67 11.192 2.789 -11.132 536 HA GLU 67 HA GLU 67 12.670 2.446 -8.541 537 1HB GLU 67 HB2 GLU 67 11.646 4.929 -9.928 538 2HB GLU 67 HB1 GLU 67 11.757 4.888 -8.168 539 1HG GLU 67 HG2 GLU 67 13.816 5.824 -9.065 540 2HG GLU 67 HG1 GLU 67 14.163 4.237 -8.378 541 H CYS 68 HN CYS 68 11.039 3.319 -6.712 542 HA CYS 68 HA CYS 68 8.291 2.295 -7.360 543 1HB CYS 68 HB2 CYS 68 9.866 1.825 -4.813 544 2HB CYS 68 HB1 CYS 68 8.232 1.254 -5.145 545 HG CYS 68 HG CYS 68 10.710 -0.172 -5.996 546 H ASP 69 HN ASP 69 7.583 4.542 -7.562 547 HA ASP 69 HA ASP 69 7.991 6.587 -5.686 548 1HB ASP 69 HB2 ASP 69 6.811 6.894 -7.838 549 2HB ASP 69 HB1 ASP 69 5.444 5.965 -7.222 550 H PHE 70 HN PHE 70 5.694 7.335 -4.353 551 HA PHE 70 HA PHE 70 5.623 5.425 -2.187 552 1HB PHE 70 HB2 PHE 70 3.715 7.144 -1.468 553 2HB PHE 70 HB1 PHE 70 5.417 7.573 -1.373 554 HD1 PHE 70 HD1 PHE 70 6.226 9.453 -2.521 555 HD2 PHE 70 HD2 PHE 70 2.491 7.709 -3.718 556 HE1 PHE 70 HE1 PHE 70 5.860 11.323 -4.106 557 HE2 PHE 70 HE2 PHE 70 2.125 9.577 -5.303 558 HZ PHE 70 HZ PHE 70 3.808 11.384 -5.496 559 H GLN 71 HN GLN 71 3.492 6.150 -4.874 560 HA GLN 71 HA GLN 71 1.167 4.853 -3.817 561 1HB GLN 71 HB2 GLN 71 1.070 6.510 -5.643 562 2HB GLN 71 HB1 GLN 71 1.944 5.396 -6.694 563 1HG GLN 71 HG2 GLN 71 0.165 3.817 -6.662 564 2HG GLN 71 HG1 GLN 71 -0.648 4.661 -5.340 565 1HE2 GLN 71 HE21 GLN 71 -0.952 7.204 -6.025 566 2HE2 GLN 71 HE22 GLN 71 -1.660 7.412 -7.554 567 H GLU 72 HN GLU 72 3.835 3.735 -5.870 568 HA GLU 72 HA GLU 72 2.640 1.046 -6.062 569 1HB GLU 72 HB2 GLU 72 3.686 1.946 -8.046 570 2HB GLU 72 HB1 GLU 72 5.164 2.309 -7.161 571 1HG GLU 72 HG2 GLU 72 5.454 -0.171 -6.763 572 2HG GLU 72 HG1 GLU 72 4.068 -0.442 -7.820 573 H PHE 73 HN PHE 73 5.312 2.720 -4.470 574 HA PHE 73 HA PHE 73 6.697 0.498 -3.466 575 1HB PHE 73 HB2 PHE 73 7.651 2.649 -3.085 576 2HB PHE 73 HB1 PHE 73 6.179 3.231 -2.327 577 HD1 PHE 73 HD1 PHE 73 6.813 3.861 -0.165 578 HD2 PHE 73 HD2 PHE 73 8.047 0.035 -1.690 579 HE1 PHE 73 HE1 PHE 73 7.714 3.258 2.058 580 HE2 PHE 73 HE2 PHE 73 8.946 -0.558 0.537 581 HZ PHE 73 HZ PHE 73 8.799 1.066 2.401 582 H MET 74 HN MET 74 3.842 2.136 -2.100 583 HA MET 74 HA MET 74 3.684 0.398 0.171 584 1HB MET 74 HB2 MET 74 2.309 2.621 -0.599 585 2HB MET 74 HB1 MET 74 1.135 1.394 -1.061 586 1HG MET 74 HG2 MET 74 1.864 0.568 1.500 587 2HG MET 74 HG1 MET 74 1.920 2.320 1.641 588 1HE MET 74 HE1 MET 74 -0.242 3.160 2.923 589 2HE MET 74 HE2 MET 74 0.288 1.576 3.480 590 3HE MET 74 HE3 MET 74 -1.426 1.886 3.245 591 H ALA 75 HN ALA 75 2.339 0.331 -3.077 592 HA ALA 75 HA ALA 75 0.807 -2.039 -2.925 593 1HB ALA 75 HB1 ALA 75 1.224 -0.450 -4.952 594 2HB ALA 75 HB2 ALA 75 0.923 -2.154 -5.272 595 3HB ALA 75 HB3 ALA 75 2.565 -1.529 -5.319 596 H PHE 76 HN PHE 76 4.228 -1.716 -2.667 597 HA PHE 76 HA PHE 76 4.783 -4.508 -3.347 598 1HB PHE 76 HB2 PHE 76 6.636 -2.988 -3.578 599 2HB PHE 76 HB1 PHE 76 6.446 -2.411 -1.930 600 HD1 PHE 76 HD1 PHE 76 8.224 -3.092 -0.587 601 HD2 PHE 76 HD2 PHE 76 6.623 -5.850 -3.475 602 HE1 PHE 76 HE1 PHE 76 9.783 -4.838 0.208 603 HE2 PHE 76 HE2 PHE 76 8.178 -7.596 -2.664 604 HZ PHE 76 HZ PHE 76 9.757 -7.093 -0.826 605 H VAL 77 HN VAL 77 4.623 -2.705 -0.241 606 HA VAL 77 HA VAL 77 4.913 -4.950 1.469 607 HB VAL 77 HB VAL 77 3.230 -2.448 1.820 608 1HG1 VAL 77 HG11 VAL 77 3.965 -4.661 3.748 609 2HG1 VAL 77 HG12 VAL 77 2.351 -4.080 3.342 610 3HG1 VAL 77 HG13 VAL 77 3.440 -3.064 4.285 611 1HG2 VAL 77 HG21 VAL 77 5.922 -3.211 2.981 612 2HG2 VAL 77 HG22 VAL 77 5.098 -1.663 3.158 613 3HG2 VAL 77 HG23 VAL 77 5.712 -2.159 1.581 614 H SER 78 HN SER 78 2.131 -3.762 -0.314 615 HA SER 78 HA SER 78 0.154 -5.454 0.880 616 1HB SER 78 HB2 SER 78 -0.126 -3.402 -0.705 617 2HB SER 78 HB1 SER 78 0.067 -4.565 -1.998 618 HG SER 78 HG SER 78 -1.775 -4.872 0.137 619 H MET 79 HN MET 79 2.559 -5.848 -1.585 620 HA MET 79 HA MET 79 1.502 -8.319 -2.669 621 1HB MET 79 HB2 MET 79 3.054 -6.700 -3.869 622 2HB MET 79 HB1 MET 79 4.346 -7.309 -2.836 623 1HG MET 79 HG2 MET 79 3.519 -9.670 -3.681 624 2HG MET 79 HG1 MET 79 2.836 -8.728 -5.010 625 1HE MET 79 HE1 MET 79 5.664 -9.700 -7.104 626 2HE MET 79 HE2 MET 79 4.367 -8.514 -7.228 627 3HE MET 79 HE3 MET 79 4.048 -10.084 -6.495 628 H VAL 80 HN VAL 80 3.739 -7.474 -0.098 629 HA VAL 80 HA VAL 80 4.491 -10.304 0.265 630 HB VAL 80 HB VAL 80 6.167 -9.585 1.716 631 1HG1 VAL 80 HG11 VAL 80 6.355 -8.463 -0.547 632 2HG1 VAL 80 HG12 VAL 80 7.253 -7.686 0.758 633 3HG1 VAL 80 HG13 VAL 80 5.721 -7.003 0.214 634 1HG2 VAL 80 HG21 VAL 80 4.860 -8.539 3.441 635 2HG2 VAL 80 HG22 VAL 80 4.412 -7.214 2.375 636 3HG2 VAL 80 HG23 VAL 80 6.071 -7.363 2.935 637 H THR 81 HN THR 81 2.411 -7.775 1.534 638 HA THR 81 HA THR 81 1.624 -9.238 3.906 639 HB THR 81 HB THR 81 -0.007 -7.218 2.344 640 HG1 THR 81 HG1 THR 81 1.486 -6.501 4.562 641 1HG2 THR 81 HG21 THR 81 -0.889 -6.746 4.668 642 2HG2 THR 81 HG22 THR 81 -0.028 -8.189 5.202 643 3HG2 THR 81 HG23 THR 81 -1.320 -8.326 4.012 644 H THR 82 HN THR 82 0.470 -9.036 0.523 645 HA THR 82 HA THR 82 -1.900 -10.555 0.923 646 HB THR 82 HB THR 82 -1.559 -11.007 -1.595 647 HG1 THR 82 HG1 THR 82 0.117 -9.995 -2.528 648 1HG2 THR 82 HG21 THR 82 -3.022 -9.256 -1.258 649 2HG2 THR 82 HG22 THR 82 -1.672 -8.334 -1.921 650 3HG2 THR 82 HG23 THR 82 -1.928 -8.392 -0.179 651 H ALA 83 HN ALA 83 1.459 -11.618 0.147 652 HA ALA 83 HA ALA 83 0.777 -14.334 -0.332 653 1HB ALA 83 HB1 ALA 83 3.017 -13.218 -0.777 654 2HB ALA 83 HB2 ALA 83 3.118 -14.795 0.008 655 3HB ALA 83 HB3 ALA 83 3.328 -13.324 0.956 656 H CYS 84 HN CYS 84 1.300 -12.456 2.600 657 HA CYS 84 HA CYS 84 1.274 -14.811 4.345 658 1HB CYS 84 HB2 CYS 84 2.436 -12.754 5.037 659 2HB CYS 84 HB1 CYS 84 0.911 -11.867 4.987 660 HG CYS 84 HG CYS 84 0.882 -12.577 7.398 661 H HIS 85 HN HIS 85 -1.100 -12.812 2.836 662 HA HIS 85 HA HIS 85 -3.229 -13.512 4.749 663 1HB HIS 85 HB2 HIS 85 -3.360 -11.329 3.708 664 2HB HIS 85 HB1 HIS 85 -3.245 -12.043 2.101 665 HD1 HIS 85 HD1 HIS 85 -5.552 -11.295 1.281 666 HD2 HIS 85 HD2 HIS 85 -5.722 -13.516 4.804 667 HE1 HIS 85 HE1 HIS 85 -7.998 -11.789 1.695 668 H GLU 86 HN GLU 86 -2.195 -14.424 1.468 669 HA GLU 86 HA GLU 86 -4.475 -16.217 1.105 670 1HB GLU 86 HB2 GLU 86 -3.461 -16.820 -0.981 671 2HB GLU 86 HB1 GLU 86 -3.170 -15.094 -0.772 672 1HG GLU 86 HG2 GLU 86 -0.932 -15.773 0.300 673 2HG GLU 86 HG1 GLU 86 -1.229 -17.373 -0.378 674 H PHE 87 HN PHE 87 -1.285 -16.458 2.481 675 HA PHE 87 HA PHE 87 -1.055 -19.335 2.326 676 1HB PHE 87 HB2 PHE 87 0.816 -17.647 2.792 677 2HB PHE 87 HB1 PHE 87 0.195 -17.568 4.439 678 HD1 PHE 87 HD1 PHE 87 1.533 -19.891 1.852 679 HD2 PHE 87 HD2 PHE 87 0.672 -19.287 6.016 680 HE1 PHE 87 HE1 PHE 87 2.761 -21.971 2.408 681 HE2 PHE 87 HE2 PHE 87 1.899 -21.368 6.573 682 HZ PHE 87 HZ PHE 87 2.945 -22.711 4.768 683 H PHE 88 HN PHE 88 -2.287 -17.083 4.785 684 HA PHE 88 HA PHE 88 -2.790 -18.965 6.844 685 1HB PHE 88 HB2 PHE 88 -2.963 -16.495 7.110 686 2HB PHE 88 HB1 PHE 88 -4.444 -16.521 6.151 687 HD1 PHE 88 HD1 PHE 88 -2.876 -17.842 9.266 688 HD2 PHE 88 HD2 PHE 88 -6.532 -17.096 7.135 689 HE1 PHE 88 HE1 PHE 88 -4.177 -18.406 11.300 690 HE2 PHE 88 HE2 PHE 88 -7.832 -17.661 9.171 691 HZ PHE 88 HZ PHE 88 -6.655 -18.316 11.253 692 H GLU 89 HN GLU 89 -5.331 -17.613 4.699 693 HA GLU 89 HA GLU 89 -7.126 -19.796 5.312 694 1HB GLU 89 HB2 GLU 89 -8.462 -18.811 3.362 695 2HB GLU 89 HB1 GLU 89 -8.160 -17.736 4.726 696 1HG GLU 89 HG2 GLU 89 -6.323 -16.671 3.550 697 2HG GLU 89 HG1 GLU 89 -6.448 -17.828 2.224 698 H HIS 90 HN HIS 90 -4.414 -20.358 3.950 699 HA HIS 90 HA HIS 90 -5.032 -21.387 1.329 700 1HB HIS 90 HB2 HIS 90 -2.708 -20.966 2.047 701 2HB HIS 90 HB1 HIS 90 -2.854 -22.228 3.270 702 HD1 HIS 90 HD1 HIS 90 -1.148 -23.847 2.223 703 HD2 HIS 90 HD2 HIS 90 -4.209 -22.770 -0.400 704 HE1 HIS 90 HE1 HIS 90 -0.954 -25.388 0.220 705 HE2 HIS 90 HE2 HIS 90 -2.809 -24.740 -1.383 706 H GLU 91 HN GLU 91 -6.771 -22.785 1.259 707 HA GLU 91 HA GLU 91 -7.313 -24.757 3.300 708 1HB GLU 91 HB2 GLU 91 -9.039 -23.824 1.733 709 2HB GLU 91 HB1 GLU 91 -8.278 -24.729 0.425 710 1HG GLU 91 HG2 GLU 91 -8.658 -26.835 1.687 711 2HG GLU 91 HG1 GLU 91 -9.479 -25.911 2.946 712 1H MET 0 HT1 MET 0 7.246 -8.887 12.945 713 2H MET 0 HT2 MET 0 8.839 -8.355 13.200 714 3H MET 0 HT3 MET 0 7.717 -7.346 12.420 715 HA MET 0 HA MET 0 6.367 -7.570 14.593 716 1HB MET 0 HB2 MET 0 8.068 -7.699 16.523 717 2HB MET 0 HB1 MET 0 7.638 -9.219 15.738 718 1HG MET 0 HG2 MET 0 9.672 -9.311 14.536 719 2HG MET 0 HG1 MET 0 10.012 -7.601 14.809 720 1HE MET 0 HE1 MET 0 10.642 -11.160 17.588 721 2HE MET 0 HE2 MET 0 10.322 -11.139 15.855 722 3HE MET 0 HE3 MET 0 9.023 -10.773 16.988 723 H SER 1 HN SER 1 7.954 -5.883 12.563 724 HA SER 1 HA SER 1 8.784 -3.648 14.377 725 1HB SER 1 HB2 SER 1 9.800 -2.738 12.235 726 2HB SER 1 HB1 SER 1 10.537 -4.214 12.852 727 HG SER 1 HG SER 1 8.393 -4.336 11.032 728 H GLU 2 HN GLU 2 8.487 -1.504 12.812 729 HA GLU 2 HA GLU 2 5.777 -0.766 13.000 730 1HB GLU 2 HB2 GLU 2 7.971 0.266 11.188 731 2HB GLU 2 HB1 GLU 2 6.407 1.056 11.365 732 1HG GLU 2 HG2 GLU 2 6.777 1.425 13.719 733 2HG GLU 2 HG1 GLU 2 8.238 0.436 13.693 734 H LEU 3 HN LEU 3 7.349 -2.732 10.648 735 HA LEU 3 HA LEU 3 5.319 -2.294 8.572 736 1HB LEU 3 HB2 LEU 3 7.613 -4.257 8.821 737 2HB LEU 3 HB1 LEU 3 6.531 -4.198 7.433 738 HG LEU 3 HG LEU 3 8.617 -2.928 7.035 739 1HD1 LEU 3 HD11 LEU 3 6.504 -0.810 7.249 740 2HD1 LEU 3 HD12 LEU 3 6.194 -2.209 6.220 741 3HD1 LEU 3 HD13 LEU 3 7.593 -1.184 5.914 742 1HD2 LEU 3 HD21 LEU 3 8.737 -2.263 9.552 743 2HD2 LEU 3 HD22 LEU 3 7.701 -0.918 9.075 744 3HD2 LEU 3 HD23 LEU 3 9.293 -1.104 8.348 745 H GLU 4 HN GLU 4 5.888 -4.556 11.206 746 HA GLU 4 HA GLU 4 4.009 -6.538 10.168 747 1HB GLU 4 HB2 GLU 4 5.902 -7.110 11.724 748 2HB GLU 4 HB1 GLU 4 5.056 -6.233 13.000 749 1HG GLU 4 HG2 GLU 4 3.257 -7.769 13.031 750 2HG GLU 4 HG1 GLU 4 3.686 -8.442 11.459 751 H LYS 5 HN LYS 5 3.868 -3.671 12.113 752 HA LYS 5 HA LYS 5 1.275 -4.225 13.308 753 1HB LYS 5 HB2 LYS 5 2.609 -1.540 12.847 754 2HB LYS 5 HB1 LYS 5 1.340 -1.901 14.018 755 1HG LYS 5 HG2 LYS 5 2.800 -3.311 15.303 756 2HG LYS 5 HG1 LYS 5 4.037 -3.275 14.051 757 1HD LYS 5 HD2 LYS 5 3.942 -0.646 14.480 758 2HD LYS 5 HD1 LYS 5 3.280 -1.146 16.034 759 1HE LYS 5 HE2 LYS 5 5.247 -2.553 16.439 760 2HE LYS 5 HE1 LYS 5 5.896 -2.125 14.857 761 1HZ LYS 5 HZ1 LYS 5 5.171 0.117 16.538 762 2HZ LYS 5 HZ2 LYS 5 6.548 -0.118 15.571 763 3HZ LYS 5 HZ3 LYS 5 6.464 -0.814 17.119 764 H ALA 6 HN ALA 6 2.416 -2.145 10.638 765 HA ALA 6 HA ALA 6 -0.160 -1.283 9.802 766 1HB ALA 6 HB1 ALA 6 2.339 -1.708 8.149 767 2HB ALA 6 HB2 ALA 6 1.895 -0.226 8.990 768 3HB ALA 6 HB3 ALA 6 0.928 -0.789 7.629 769 H MET 7 HN MET 7 1.826 -3.918 8.461 770 HA MET 7 HA MET 7 -0.061 -4.856 6.596 771 1HB MET 7 HB2 MET 7 2.048 -6.335 8.193 772 2HB MET 7 HB1 MET 7 1.103 -7.110 6.927 773 1HG MET 7 HG2 MET 7 1.911 -5.074 5.457 774 2HG MET 7 HG1 MET 7 3.164 -4.935 6.681 775 1HE MET 7 HE1 MET 7 5.217 -5.467 5.622 776 2HE MET 7 HE2 MET 7 5.760 -7.130 5.402 777 3HE MET 7 HE3 MET 7 5.165 -6.605 6.977 778 H VAL 8 HN VAL 8 0.176 -5.532 10.070 779 HA VAL 8 HA VAL 8 -1.910 -7.558 10.021 780 HB VAL 8 HB VAL 8 -0.478 -5.990 12.165 781 1HG1 VAL 8 HG11 VAL 8 -1.885 -7.352 13.835 782 2HG1 VAL 8 HG12 VAL 8 -3.030 -7.574 12.511 783 3HG1 VAL 8 HG13 VAL 8 -2.663 -5.951 13.097 784 1HG2 VAL 8 HG21 VAL 8 0.052 -8.298 12.951 785 2HG2 VAL 8 HG22 VAL 8 0.582 -8.013 11.293 786 3HG2 VAL 8 HG23 VAL 8 -0.883 -8.946 11.603 787 H ALA 9 HN ALA 9 -1.798 -4.139 10.911 788 HA ALA 9 HA ALA 9 -4.501 -3.801 11.639 789 1HB ALA 9 HB1 ALA 9 -4.127 -1.493 11.453 790 2HB ALA 9 HB2 ALA 9 -3.048 -1.680 10.071 791 3HB ALA 9 HB3 ALA 9 -2.496 -2.121 11.685 792 H LEU 10 HN LEU 10 -3.024 -3.843 8.401 793 HA LEU 10 HA LEU 10 -5.549 -3.112 7.110 794 1HB LEU 10 HB2 LEU 10 -2.783 -3.819 6.211 795 2HB LEU 10 HB1 LEU 10 -4.089 -3.987 5.040 796 HG LEU 10 HG LEU 10 -4.691 -1.665 5.256 797 1HD1 LEU 10 HD11 LEU 10 -2.824 -1.746 7.631 798 2HD1 LEU 10 HD12 LEU 10 -4.480 -1.144 7.555 799 3HD1 LEU 10 HD13 LEU 10 -3.178 -0.224 6.816 800 1HD2 LEU 10 HD21 LEU 10 -1.680 -1.963 5.201 801 2HD2 LEU 10 HD22 LEU 10 -2.576 -0.582 4.569 802 3HD2 LEU 10 HD23 LEU 10 -2.751 -2.169 3.816 803 H ILE 11 HN ILE 11 -3.681 -6.187 7.293 804 HA ILE 11 HA ILE 11 -5.253 -7.822 5.724 805 HB ILE 11 HB ILE 11 -3.943 -8.386 8.395 806 1HG1 ILE 11 HG12 ILE 11 -3.284 -9.368 5.609 807 2HG1 ILE 11 HG11 ILE 11 -2.615 -7.885 6.283 808 1HG2 ILE 11 HG21 ILE 11 -5.483 -10.258 6.582 809 2HG2 ILE 11 HG22 ILE 11 -5.670 -10.034 8.320 810 3HG2 ILE 11 HG23 ILE 11 -4.237 -10.842 7.685 811 1HD1 ILE 11 HD11 ILE 11 -1.030 -9.677 6.688 812 2HD1 ILE 11 HD12 ILE 11 -2.292 -10.689 7.385 813 3HD1 ILE 11 HD13 ILE 11 -1.762 -9.235 8.228 814 H ASP 12 HN ASP 12 -6.116 -6.436 8.832 815 HA ASP 12 HA ASP 12 -8.506 -8.101 9.134 816 1HB ASP 12 HB2 ASP 12 -7.238 -7.024 11.058 817 2HB ASP 12 HB1 ASP 12 -7.898 -5.477 10.525 818 H VAL 13 HN VAL 13 -7.885 -4.686 8.332 819 HA VAL 13 HA VAL 13 -10.654 -4.169 7.617 820 HB VAL 13 HB VAL 13 -8.131 -2.589 6.986 821 1HG1 VAL 13 HG11 VAL 13 -9.567 -0.701 6.650 822 2HG1 VAL 13 HG12 VAL 13 -10.986 -1.609 7.182 823 3HG1 VAL 13 HG13 VAL 13 -10.204 -2.009 5.653 824 1HG2 VAL 13 HG21 VAL 13 -10.004 -2.660 9.359 825 2HG2 VAL 13 HG22 VAL 13 -8.999 -1.258 9.013 826 3HG2 VAL 13 HG23 VAL 13 -8.247 -2.812 9.348 827 H PHE 14 HN PHE 14 -7.821 -5.301 5.994 828 HA PHE 14 HA PHE 14 -8.790 -4.801 3.289 829 1HB PHE 14 HB2 PHE 14 -6.461 -5.012 3.360 830 2HB PHE 14 HB1 PHE 14 -6.522 -6.364 4.476 831 HD1 PHE 14 HD1 PHE 14 -5.267 -8.013 3.343 832 HD2 PHE 14 HD2 PHE 14 -8.449 -5.974 1.299 833 HE1 PHE 14 HE1 PHE 14 -5.076 -9.604 1.459 834 HE2 PHE 14 HE2 PHE 14 -8.261 -7.575 -0.583 835 HZ PHE 14 HZ PHE 14 -6.575 -9.392 -0.502 836 H HIS 15 HN HIS 15 -8.779 -7.670 5.420 837 HA HIS 15 HA HIS 15 -10.126 -9.290 3.413 838 1HB HIS 15 HB2 HIS 15 -8.596 -9.957 5.501 839 2HB HIS 15 HB1 HIS 15 -10.149 -10.048 6.322 840 HD1 HIS 15 HD1 HIS 15 -8.602 -12.635 5.927 841 HD2 HIS 15 HD2 HIS 15 -11.353 -11.232 3.126 842 HE1 HIS 15 HE1 HIS 15 -9.306 -14.637 4.546 843 H GLN 16 HN GLN 16 -11.170 -7.356 6.188 844 HA GLN 16 HA GLN 16 -13.844 -8.409 6.321 845 1HB GLN 16 HB2 GLN 16 -12.608 -5.803 7.224 846 2HB GLN 16 HB1 GLN 16 -14.311 -6.178 7.489 847 1HG GLN 16 HG2 GLN 16 -12.094 -8.047 8.342 848 2HG GLN 16 HG1 GLN 16 -12.726 -6.786 9.401 849 1HE2 GLN 16 HE21 GLN 16 -13.116 -9.333 10.333 850 2HE2 GLN 16 HE22 GLN 16 -14.728 -9.822 10.128 851 H TYR 17 HN TYR 17 -12.423 -5.742 4.467 852 HA TYR 17 HA TYR 17 -15.077 -5.030 3.363 853 1HB TYR 17 HB2 TYR 17 -12.291 -3.904 3.087 854 2HB TYR 17 HB1 TYR 17 -13.544 -3.453 1.930 855 HD1 TYR 17 HD1 TYR 17 -12.751 -3.560 5.578 856 HD2 TYR 17 HD2 TYR 17 -15.224 -1.872 2.497 857 HE1 TYR 17 HE1 TYR 17 -13.711 -1.965 7.219 858 HE2 TYR 17 HE2 TYR 17 -16.180 -0.279 4.138 859 HH TYR 17 HH TYR 17 -14.829 0.206 7.232 860 H SER 18 HN SER 18 -11.943 -6.150 2.044 861 HA SER 18 HA SER 18 -12.887 -6.728 -0.563 862 1HB SER 18 HB2 SER 18 -10.920 -7.991 -0.830 863 2HB SER 18 HB1 SER 18 -10.478 -6.848 0.430 864 HG SER 18 HG SER 18 -10.809 -8.433 1.953 865 H GLY 19 HN GLY 19 -13.446 -8.257 2.474 866 1HA GLY 19 HA2 GLY 19 -14.579 -10.704 1.206 867 2HA GLY 19 HA1 GLY 19 -14.258 -10.491 2.927 868 H ARG 20 HN ARG 20 -15.679 -7.656 1.894 869 HA ARG 20 HA ARG 20 -18.146 -8.193 3.274 870 1HB ARG 20 HB2 ARG 20 -17.182 -5.924 3.059 871 2HB ARG 20 HB1 ARG 20 -17.464 -5.974 1.322 872 1HG ARG 20 HG2 ARG 20 -19.920 -6.274 1.795 873 2HG ARG 20 HG1 ARG 20 -19.565 -6.043 3.508 874 1HD ARG 20 HD2 ARG 20 -18.985 -4.062 1.289 875 2HD ARG 20 HD1 ARG 20 -20.279 -3.926 2.482 876 HE ARG 20 HE ARG 20 -17.448 -3.363 2.948 877 1HH1 ARG 20 HH21 ARG 20 -20.500 -4.271 4.269 878 2HH1 ARG 20 HH22 ARG 20 -20.125 -3.713 5.865 879 1HH2 ARG 20 HH11 ARG 20 -16.940 -2.631 5.024 880 2HH2 ARG 20 HH12 ARG 20 -18.108 -2.785 6.293 881 H GLU 21 HN GLU 21 -17.330 -7.876 -0.178 882 HA GLU 21 HA GLU 21 -19.530 -9.719 -0.851 883 1HB GLU 21 HB2 GLU 21 -20.314 -7.954 -2.628 884 2HB GLU 21 HB1 GLU 21 -20.877 -7.802 -0.964 885 1HG GLU 21 HG2 GLU 21 -19.333 -6.070 -0.475 886 2HG GLU 21 HG1 GLU 21 -18.367 -6.412 -1.909 887 H GLY 22 HN GLY 22 -19.293 -10.592 -2.982 888 1HA GLY 22 HA2 GLY 22 -18.202 -10.727 -5.151 889 2HA GLY 22 HA1 GLY 22 -16.883 -9.745 -4.519 890 H ASP 23 HN ASP 23 -15.458 -11.436 -5.366 891 HA ASP 23 HA ASP 23 -15.456 -14.141 -4.655 892 1HB ASP 23 HB2 ASP 23 -13.806 -13.178 -6.201 893 2HB ASP 23 HB1 ASP 23 -13.063 -12.286 -4.874 894 H LYS 24 HN LYS 24 -12.871 -12.390 -3.083 895 HA LYS 24 HA LYS 24 -13.982 -12.431 -0.431 896 1HB LYS 24 HB2 LYS 24 -13.633 -14.928 -1.032 897 2HB LYS 24 HB1 LYS 24 -11.915 -14.583 -0.909 898 1HG LYS 24 HG2 LYS 24 -12.534 -15.377 1.241 899 2HG LYS 24 HG1 LYS 24 -12.410 -13.633 1.420 900 1HD LYS 24 HD2 LYS 24 -14.737 -13.340 1.543 901 2HD LYS 24 HD1 LYS 24 -15.076 -14.872 0.742 902 1HE LYS 24 HE2 LYS 24 -13.809 -14.642 3.485 903 2HE LYS 24 HE1 LYS 24 -15.534 -14.894 3.213 904 1HZ LYS 24 HZ1 LYS 24 -13.366 -16.759 3.025 905 2HZ LYS 24 HZ2 LYS 24 -14.355 -16.769 1.644 906 3HZ LYS 24 HZ3 LYS 24 -15.030 -17.047 3.177 907 H HIS 25 HN HIS 25 -11.519 -11.742 -2.676 908 HA HIS 25 HA HIS 25 -10.014 -10.279 -0.558 909 1HB HIS 25 HB2 HIS 25 -8.513 -11.827 -2.661 910 2HB HIS 25 HB1 HIS 25 -7.932 -11.212 -1.111 911 HD2 HIS 25 HD2 HIS 25 -8.875 -14.550 -2.473 912 HE1 HIS 25 HE1 HIS 25 -10.064 -14.746 1.575 913 HE2 HIS 25 HE2 HIS 25 -9.636 -16.106 -0.523 914 H LYS 26 HN LYS 26 -11.832 -9.297 -2.662 915 HA LYS 26 HA LYS 26 -9.887 -7.481 -3.997 916 1HB LYS 26 HB2 LYS 26 -12.201 -8.961 -5.282 917 2HB LYS 26 HB1 LYS 26 -11.462 -7.526 -5.996 918 1HG LYS 26 HG2 LYS 26 -9.366 -8.607 -6.273 919 2HG LYS 26 HG1 LYS 26 -9.812 -9.925 -5.190 920 1HD LYS 26 HD2 LYS 26 -9.892 -10.557 -7.618 921 2HD LYS 26 HD1 LYS 26 -11.432 -10.765 -6.785 922 1HE LYS 26 HE2 LYS 26 -11.523 -9.614 -9.073 923 2HE LYS 26 HE1 LYS 26 -12.342 -8.787 -7.748 924 1HZ LYS 26 HZ1 LYS 26 -10.466 -7.697 -9.370 925 2HZ LYS 26 HZ2 LYS 26 -9.568 -8.090 -7.983 926 3HZ LYS 26 HZ3 LYS 26 -10.933 -7.086 -7.859 927 H LEU 27 HN LEU 27 -10.693 -5.356 -4.164 928 HA LEU 27 HA LEU 27 -13.030 -4.831 -2.408 929 1HB LEU 27 HB2 LEU 27 -10.701 -3.192 -3.370 930 2HB LEU 27 HB1 LEU 27 -12.174 -2.353 -2.898 931 HG LEU 27 HG LEU 27 -11.959 -3.897 -0.710 932 1HD1 LEU 27 HD11 LEU 27 -9.557 -4.143 -0.098 933 2HD1 LEU 27 HD12 LEU 27 -9.123 -3.715 -1.751 934 3HD1 LEU 27 HD13 LEU 27 -10.038 -5.188 -1.433 935 1HD2 LEU 27 HD21 LEU 27 -10.373 -1.404 -1.307 936 2HD2 LEU 27 HD22 LEU 27 -10.583 -2.069 0.310 937 3HD2 LEU 27 HD23 LEU 27 -11.981 -1.504 -0.596 938 H LYS 28 HN LYS 28 -14.818 -3.936 -3.045 939 HA LYS 28 HA LYS 28 -15.263 -3.415 -5.974 940 1HB LYS 28 HB2 LYS 28 -17.166 -4.246 -3.762 941 2HB LYS 28 HB1 LYS 28 -17.709 -3.716 -5.354 942 1HG LYS 28 HG2 LYS 28 -16.362 -5.511 -6.400 943 2HG LYS 28 HG1 LYS 28 -15.873 -6.061 -4.796 944 1HD LYS 28 HD2 LYS 28 -18.116 -6.649 -4.211 945 2HD LYS 28 HD1 LYS 28 -18.771 -5.823 -5.622 946 1HE LYS 28 HE2 LYS 28 -16.791 -8.039 -6.045 947 2HE LYS 28 HE1 LYS 28 -18.460 -8.450 -5.643 948 1HZ LYS 28 HZ1 LYS 28 -19.074 -6.841 -7.486 949 2HZ LYS 28 HZ2 LYS 28 -18.404 -8.330 -7.956 950 3HZ LYS 28 HZ3 LYS 28 -17.451 -6.924 -7.967 951 H LYS 29 HN LYS 29 -16.614 -1.503 -6.489 952 HA LYS 29 HA LYS 29 -15.910 0.884 -5.263 953 1HB LYS 29 HB2 LYS 29 -18.517 0.126 -6.608 954 2HB LYS 29 HB1 LYS 29 -18.151 1.778 -6.110 955 1HG LYS 29 HG2 LYS 29 -15.978 1.523 -7.480 956 2HG LYS 29 HG1 LYS 29 -16.737 0.093 -8.183 957 1HD LYS 29 HD2 LYS 29 -17.914 2.889 -8.195 958 2HD LYS 29 HD1 LYS 29 -17.141 2.102 -9.572 959 1HE LYS 29 HE2 LYS 29 -18.861 0.221 -9.253 960 2HE LYS 29 HE1 LYS 29 -19.720 1.342 -8.198 961 1HZ LYS 29 HZ1 LYS 29 -20.503 1.434 -10.500 962 2HZ LYS 29 HZ2 LYS 29 -18.950 1.903 -11.010 963 3HZ LYS 29 HZ3 LYS 29 -19.855 2.917 -9.991 964 H SER 30 HN SER 30 -18.803 -1.063 -4.498 965 HA SER 30 HA SER 30 -19.892 0.495 -2.441 966 1HB SER 30 HB2 SER 30 -20.476 -1.875 -1.424 967 2HB SER 30 HB1 SER 30 -21.169 -1.395 -2.971 968 HG SER 30 HG SER 30 -20.290 -3.268 -3.496 969 H GLU 31 HN GLU 31 -16.856 -1.048 -2.535 970 HA GLU 31 HA GLU 31 -16.537 -0.941 0.445 971 1HB GLU 31 HB2 GLU 31 -14.624 -2.087 -1.604 972 2HB GLU 31 HB1 GLU 31 -14.550 -2.280 0.145 973 1HG GLU 31 HG2 GLU 31 -16.700 -3.481 0.113 974 2HG GLU 31 HG1 GLU 31 -16.786 -3.289 -1.640 975 H LEU 32 HN LEU 32 -14.927 0.108 -2.543 976 HA LEU 32 HA LEU 32 -12.971 1.698 -1.255 977 1HB LEU 32 HB2 LEU 32 -12.696 0.952 -3.539 978 2HB LEU 32 HB1 LEU 32 -14.169 1.776 -4.021 979 HG LEU 32 HG LEU 32 -13.084 3.940 -3.458 980 1HD1 LEU 32 HD11 LEU 32 -10.725 2.143 -2.938 981 2HD1 LEU 32 HD12 LEU 32 -11.428 3.349 -1.857 982 3HD1 LEU 32 HD13 LEU 32 -10.548 3.865 -3.302 983 1HD2 LEU 32 HD21 LEU 32 -13.033 2.822 -5.758 984 2HD2 LEU 32 HD22 LEU 32 -11.389 2.323 -5.365 985 3HD2 LEU 32 HD23 LEU 32 -11.790 4.032 -5.467 986 H LYS 33 HN LYS 33 -16.261 2.464 -2.287 987 HA LYS 33 HA LYS 33 -15.897 5.285 -1.496 988 1HB LYS 33 HB2 LYS 33 -17.426 4.823 -3.330 989 2HB LYS 33 HB1 LYS 33 -18.339 3.687 -2.344 990 1HG LYS 33 HG2 LYS 33 -18.067 6.428 -1.189 991 2HG LYS 33 HG1 LYS 33 -19.025 6.334 -2.664 992 1HD LYS 33 HD2 LYS 33 -19.528 4.362 -0.445 993 2HD LYS 33 HD1 LYS 33 -20.195 5.989 -0.337 994 1HE LYS 33 HE2 LYS 33 -20.579 4.239 -2.773 995 2HE LYS 33 HE1 LYS 33 -21.707 4.237 -1.417 996 1HZ LYS 33 HZ1 LYS 33 -20.991 6.861 -2.379 997 2HZ LYS 33 HZ2 LYS 33 -22.516 6.227 -1.980 998 3HZ LYS 33 HZ3 LYS 33 -21.836 5.918 -3.506 999 H GLU 34 HN GLU 34 -17.325 2.328 -0.251 1000 HA GLU 34 HA GLU 34 -18.439 3.633 2.125 1001 1HB GLU 34 HB2 GLU 34 -19.348 1.493 1.191 1002 2HB GLU 34 HB1 GLU 34 -17.889 0.680 1.768 1003 1HG GLU 34 HG2 GLU 34 -18.398 1.230 4.055 1004 2HG GLU 34 HG1 GLU 34 -19.719 2.291 3.561 1005 H LEU 35 HN LEU 35 -15.420 2.039 1.347 1006 HA LEU 35 HA LEU 35 -14.511 1.828 4.096 1007 1HB LEU 35 HB2 LEU 35 -13.580 0.434 2.250 1008 2HB LEU 35 HB1 LEU 35 -12.928 1.892 1.503 1009 HG LEU 35 HG LEU 35 -11.742 2.231 3.844 1010 1HD1 LEU 35 HD11 LEU 35 -11.187 0.089 4.934 1011 2HD1 LEU 35 HD12 LEU 35 -12.267 -0.754 3.825 1012 3HD1 LEU 35 HD13 LEU 35 -12.922 0.394 4.990 1013 1HD2 LEU 35 HD21 LEU 35 -10.878 0.061 1.908 1014 2HD2 LEU 35 HD22 LEU 35 -9.824 0.900 3.046 1015 3HD2 LEU 35 HD23 LEU 35 -10.570 1.788 1.717 1016 H ILE 36 HN ILE 36 -14.455 4.268 1.586 1017 HA ILE 36 HA ILE 36 -12.544 5.987 2.947 1018 HB ILE 36 HB ILE 36 -14.470 6.427 0.658 1019 1HG1 ILE 36 HG12 ILE 36 -11.442 6.438 0.729 1020 2HG1 ILE 36 HG11 ILE 36 -12.373 4.977 0.420 1021 1HG2 ILE 36 HG21 ILE 36 -14.214 8.577 1.740 1022 2HG2 ILE 36 HG22 ILE 36 -13.160 8.563 0.331 1023 3HG2 ILE 36 HG23 ILE 36 -12.484 8.321 1.937 1024 1HD1 ILE 36 HD11 ILE 36 -13.529 6.281 -1.459 1025 2HD1 ILE 36 HD12 ILE 36 -11.835 5.874 -1.732 1026 3HD1 ILE 36 HD13 ILE 36 -12.281 7.507 -1.237 1027 H ASN 37 HN ASN 37 -16.092 5.782 2.750 1028 HA ASN 37 HA ASN 37 -16.421 8.160 4.445 1029 1HB ASN 37 HB2 ASN 37 -18.043 7.363 2.612 1030 2HB ASN 37 HB1 ASN 37 -18.570 6.146 3.776 1031 1HD2 ASN 37 HD21 ASN 37 -18.684 7.450 6.176 1032 2HD2 ASN 37 HD22 ASN 37 -19.716 8.796 6.101 1033 H ASN 38 HN ASN 38 -16.192 4.710 4.902 1034 HA ASN 38 HA ASN 38 -17.276 4.905 7.669 1035 1HB ASN 38 HB2 ASN 38 -16.247 2.502 6.135 1036 2HB ASN 38 HB1 ASN 38 -17.060 2.458 7.699 1037 1HD2 ASN 38 HD21 ASN 38 -19.006 1.395 7.043 1038 2HD2 ASN 38 HD22 ASN 38 -20.092 2.062 5.921 1039 H GLU 39 HN GLU 39 -14.205 3.975 6.085 1040 HA GLU 39 HA GLU 39 -12.888 3.962 8.770 1041 1HB GLU 39 HB2 GLU 39 -12.329 2.733 6.109 1042 2HB GLU 39 HB1 GLU 39 -10.918 3.205 7.047 1043 1HG GLU 39 HG2 GLU 39 -11.738 0.827 7.430 1044 2HG GLU 39 HG1 GLU 39 -11.559 1.806 8.885 1045 H LEU 40 HN LEU 40 -11.789 5.089 5.546 1046 HA LEU 40 HA LEU 40 -10.137 7.134 6.786 1047 1HB LEU 40 HB2 LEU 40 -10.846 7.338 3.879 1048 2HB LEU 40 HB1 LEU 40 -9.284 7.531 4.667 1049 HG LEU 40 HG LEU 40 -10.720 4.905 4.161 1050 1HD1 LEU 40 HD11 LEU 40 -9.625 6.148 2.219 1051 2HD1 LEU 40 HD12 LEU 40 -9.057 4.502 2.508 1052 3HD1 LEU 40 HD13 LEU 40 -8.089 5.877 3.042 1053 1HD2 LEU 40 HD21 LEU 40 -8.633 3.870 5.004 1054 2HD2 LEU 40 HD22 LEU 40 -9.409 4.834 6.260 1055 3HD2 LEU 40 HD23 LEU 40 -8.004 5.468 5.403 1056 H SER 41 HN SER 41 -12.904 7.403 7.579 1057 HA SER 41 HA SER 41 -13.905 9.726 6.033 1058 1HB SER 41 HB2 SER 41 -15.932 8.984 6.730 1059 2HB SER 41 HB1 SER 41 -15.111 7.631 7.501 1060 HG SER 41 HG SER 41 -15.947 10.091 8.582 1061 H HIS 42 HN HIS 42 -12.095 9.072 8.922 1062 HA HIS 42 HA HIS 42 -12.725 11.732 10.082 1063 1HB HIS 42 HB2 HIS 42 -10.698 9.725 11.093 1064 2HB HIS 42 HB1 HIS 42 -11.489 11.019 11.994 1065 HD1 HIS 42 HD1 HIS 42 -14.397 10.636 11.407 1066 HD2 HIS 42 HD2 HIS 42 -11.847 7.399 12.044 1067 HE1 HIS 42 HE1 HIS 42 -15.867 8.691 12.103 1068 HE2 HIS 42 HE2 HIS 42 -14.323 6.717 12.495 1069 H PHE 43 HN PHE 43 -10.404 10.168 8.075 1070 HA PHE 43 HA PHE 43 -8.509 12.473 8.347 1071 1HB PHE 43 HB2 PHE 43 -8.077 9.662 8.309 1072 2HB PHE 43 HB1 PHE 43 -7.501 10.233 6.750 1073 HD1 PHE 43 HD1 PHE 43 -6.671 9.821 10.185 1074 HD2 PHE 43 HD2 PHE 43 -5.977 12.378 6.803 1075 HE1 PHE 43 HE1 PHE 43 -4.605 10.674 11.256 1076 HE2 PHE 43 HE2 PHE 43 -3.909 13.230 7.876 1077 HZ PHE 43 HZ PHE 43 -3.223 12.378 10.100 1078 H LEU 44 HN LEU 44 -10.299 10.478 6.018 1079 HA LEU 44 HA LEU 44 -9.647 12.464 3.892 1080 1HB LEU 44 HB2 LEU 44 -9.567 9.742 3.752 1081 2HB LEU 44 HB1 LEU 44 -11.222 10.014 3.224 1082 HG LEU 44 HG LEU 44 -10.372 11.626 1.511 1083 1HD1 LEU 44 HD11 LEU 44 -8.290 12.449 2.043 1084 2HD1 LEU 44 HD12 LEU 44 -7.743 11.076 1.093 1085 3HD1 LEU 44 HD13 LEU 44 -7.787 10.968 2.852 1086 1HD2 LEU 44 HD21 LEU 44 -10.830 9.423 0.736 1087 2HD2 LEU 44 HD22 LEU 44 -9.401 8.760 1.528 1088 3HD2 LEU 44 HD23 LEU 44 -9.224 9.795 0.113 1089 H GLU 45 HN GLU 45 -11.247 13.733 3.026 1090 HA GLU 45 HA GLU 45 -13.520 14.434 4.474 1091 1HB GLU 45 HB2 GLU 45 -12.981 14.555 1.500 1092 2HB GLU 45 HB1 GLU 45 -14.444 15.232 2.216 1093 1HG GLU 45 HG2 GLU 45 -13.138 16.717 3.622 1094 2HG GLU 45 HG1 GLU 45 -11.635 15.965 3.087 1095 H GLU 46 HN GLU 46 -15.511 13.542 4.782 1096 HA GLU 46 HA GLU 46 -16.071 10.853 4.153 1097 1HB GLU 46 HB2 GLU 46 -18.427 11.393 4.756 1098 2HB GLU 46 HB1 GLU 46 -17.266 12.026 5.920 1099 1HG GLU 46 HG2 GLU 46 -17.415 14.185 4.299 1100 2HG GLU 46 HG1 GLU 46 -19.011 13.505 3.978 1101 H ILE 47 HN ILE 47 -15.558 10.632 1.873 1102 HA ILE 47 HA ILE 47 -16.796 12.093 -0.215 1103 HB ILE 47 HB ILE 47 -15.562 9.362 0.031 1104 1HG1 ILE 47 HG12 ILE 47 -15.030 11.712 -1.814 1105 2HG1 ILE 47 HG11 ILE 47 -14.214 11.443 -0.282 1106 1HG2 ILE 47 HG21 ILE 47 -15.948 9.055 -2.465 1107 2HG2 ILE 47 HG22 ILE 47 -17.179 10.311 -2.343 1108 3HG2 ILE 47 HG23 ILE 47 -17.359 8.805 -1.443 1109 1HD1 ILE 47 HD11 ILE 47 -12.708 10.142 -1.334 1110 2HD1 ILE 47 HD12 ILE 47 -13.568 10.354 -2.856 1111 3HD1 ILE 47 HD13 ILE 47 -13.989 9.017 -1.790 1112 H LYS 48 HN LYS 48 -18.890 12.226 -0.783 1113 HA LYS 48 HA LYS 48 -20.783 10.063 0.095 1114 1HB LYS 48 HB2 LYS 48 -21.028 12.437 1.071 1115 2HB LYS 48 HB1 LYS 48 -21.540 12.922 -0.545 1116 1HG LYS 48 HG2 LYS 48 -23.294 11.131 -0.464 1117 2HG LYS 48 HG1 LYS 48 -22.835 10.818 1.210 1118 1HD LYS 48 HD2 LYS 48 -23.421 13.094 1.846 1119 2HD LYS 48 HD1 LYS 48 -23.757 13.510 0.166 1120 1HE LYS 48 HE2 LYS 48 -25.867 13.054 1.276 1121 2HE LYS 48 HE1 LYS 48 -25.538 11.739 0.148 1122 1HZ LYS 48 HZ1 LYS 48 -24.314 11.007 2.493 1123 2HZ LYS 48 HZ2 LYS 48 -25.756 10.372 1.860 1124 3HZ LYS 48 HZ3 LYS 48 -25.805 11.652 2.976 1125 H GLU 49 HN GLU 49 -19.391 11.740 -2.549 1126 HA GLU 49 HA GLU 49 -21.549 10.874 -4.422 1127 1HB GLU 49 HB2 GLU 49 -19.118 12.653 -4.810 1128 2HB GLU 49 HB1 GLU 49 -20.261 12.233 -6.087 1129 1HG GLU 49 HG2 GLU 49 -22.088 13.280 -4.849 1130 2HG GLU 49 HG1 GLU 49 -21.009 13.620 -3.496 1131 H GLN 50 HN GLN 50 -20.985 9.507 -6.223 1132 HA GLN 50 HA GLN 50 -18.715 7.690 -5.630 1133 1HB GLN 50 HB2 GLN 50 -20.952 7.499 -7.671 1134 2HB GLN 50 HB1 GLN 50 -19.751 6.246 -7.355 1135 1HG GLN 50 HG2 GLN 50 -20.537 5.970 -5.086 1136 2HG GLN 50 HG1 GLN 50 -21.605 7.366 -5.235 1137 1HE2 GLN 50 HE21 GLN 50 -23.095 5.325 -4.532 1138 2HE2 GLN 50 HE22 GLN 50 -23.863 4.549 -5.831 1139 H GLU 51 HN GLU 51 -19.725 10.072 -8.000 1140 HA GLU 51 HA GLU 51 -18.140 9.459 -10.183 1141 1HB GLU 51 HB2 GLU 51 -18.420 12.264 -9.084 1142 2HB GLU 51 HB1 GLU 51 -18.195 11.791 -10.768 1143 1HG GLU 51 HG2 GLU 51 -20.393 10.559 -10.632 1144 2HG GLU 51 HG1 GLU 51 -20.628 11.278 -9.038 1145 H VAL 52 HN VAL 52 -17.096 10.717 -7.068 1146 HA VAL 52 HA VAL 52 -14.413 11.300 -8.031 1147 HB VAL 52 HB VAL 52 -15.368 12.431 -6.020 1148 1HG1 VAL 52 HG11 VAL 52 -14.971 9.768 -4.641 1149 2HG1 VAL 52 HG12 VAL 52 -16.537 10.302 -5.250 1150 3HG1 VAL 52 HG13 VAL 52 -15.723 11.222 -3.987 1151 1HG2 VAL 52 HG21 VAL 52 -12.858 12.028 -6.412 1152 2HG2 VAL 52 HG22 VAL 52 -12.993 10.733 -5.222 1153 3HG2 VAL 52 HG23 VAL 52 -13.346 12.398 -4.759 1154 H VAL 53 HN VAL 53 -16.062 8.632 -6.446 1155 HA VAL 53 HA VAL 53 -13.652 7.082 -6.143 1156 HB VAL 53 HB VAL 53 -16.253 6.807 -5.216 1157 1HG1 VAL 53 HG11 VAL 53 -15.831 4.431 -7.021 1158 2HG1 VAL 53 HG12 VAL 53 -16.867 5.787 -7.471 1159 3HG1 VAL 53 HG13 VAL 53 -17.248 4.820 -6.042 1160 1HG2 VAL 53 HG21 VAL 53 -14.438 5.936 -3.988 1161 2HG2 VAL 53 HG22 VAL 53 -13.949 4.903 -5.325 1162 3HG2 VAL 53 HG23 VAL 53 -15.399 4.517 -4.409 1163 H ASP 54 HN ASP 54 -15.750 7.883 -8.721 1164 HA ASP 54 HA ASP 54 -14.916 5.674 -10.464 1165 1HB ASP 54 HB2 ASP 54 -17.083 6.908 -10.779 1166 2HB ASP 54 HB1 ASP 54 -16.158 8.347 -11.205 1167 H LYS 55 HN LYS 55 -13.924 8.923 -9.640 1168 HA LYS 55 HA LYS 55 -11.913 9.044 -11.790 1169 1HB LYS 55 HB2 LYS 55 -12.372 11.248 -11.439 1170 2HB LYS 55 HB1 LYS 55 -13.162 10.897 -9.918 1171 1HG LYS 55 HG2 LYS 55 -11.368 12.417 -9.463 1172 2HG LYS 55 HG1 LYS 55 -10.855 10.867 -8.831 1173 1HD LYS 55 HD2 LYS 55 -9.495 10.485 -10.854 1174 2HD LYS 55 HD1 LYS 55 -10.077 11.997 -11.537 1175 1HE LYS 55 HE2 LYS 55 -9.053 13.245 -9.692 1176 2HE LYS 55 HE1 LYS 55 -8.511 11.735 -8.958 1177 1HZ LYS 55 HZ1 LYS 55 -7.756 12.545 -11.706 1178 2HZ LYS 55 HZ2 LYS 55 -7.073 11.315 -10.755 1179 3HZ LYS 55 HZ3 LYS 55 -6.826 12.945 -10.346 1180 H VAL 56 HN VAL 56 -11.785 8.862 -8.177 1181 HA VAL 56 HA VAL 56 -9.035 8.632 -7.858 1182 HB VAL 56 HB VAL 56 -11.022 8.517 -6.135 1183 1HG1 VAL 56 HG11 VAL 56 -11.718 6.229 -7.027 1184 2HG1 VAL 56 HG12 VAL 56 -11.529 6.349 -5.281 1185 3HG1 VAL 56 HG13 VAL 56 -10.267 5.596 -6.256 1186 1HG2 VAL 56 HG21 VAL 56 -8.393 7.056 -5.738 1187 2HG2 VAL 56 HG22 VAL 56 -9.445 7.608 -4.436 1188 3HG2 VAL 56 HG23 VAL 56 -8.673 8.782 -5.501 1189 H MET 57 HN MET 57 -11.312 6.079 -8.792 1190 HA MET 57 HA MET 57 -9.346 3.984 -8.956 1191 1HB MET 57 HB2 MET 57 -11.989 4.400 -10.375 1192 2HB MET 57 HB1 MET 57 -11.026 2.930 -10.538 1193 1HG MET 57 HG2 MET 57 -11.218 2.436 -8.210 1194 2HG MET 57 HG1 MET 57 -11.884 4.031 -7.858 1195 1HE MET 57 HE1 MET 57 -14.175 0.355 -8.416 1196 2HE MET 57 HE2 MET 57 -13.076 0.981 -7.191 1197 3HE MET 57 HE3 MET 57 -12.440 0.476 -8.757 1198 H GLU 58 HN GLU 58 -10.337 6.549 -11.145 1199 HA GLU 58 HA GLU 58 -9.122 5.562 -13.528 1200 1HB GLU 58 HB2 GLU 58 -10.668 7.627 -13.178 1201 2HB GLU 58 HB1 GLU 58 -9.182 8.494 -12.793 1202 1HG GLU 58 HG2 GLU 58 -8.244 7.958 -14.970 1203 2HG GLU 58 HG1 GLU 58 -9.620 6.924 -15.354 1204 H THR 59 HN THR 59 -7.825 7.203 -10.717 1205 HA THR 59 HA THR 59 -5.161 7.471 -11.969 1206 HB THR 59 HB THR 59 -6.081 8.103 -9.150 1207 HG1 THR 59 HG1 THR 59 -5.730 9.714 -11.457 1208 1HG2 THR 59 HG21 THR 59 -3.717 7.815 -9.141 1209 2HG2 THR 59 HG22 THR 59 -3.981 9.555 -9.259 1210 3HG2 THR 59 HG23 THR 59 -3.542 8.630 -10.694 1211 H LEU 60 HN LEU 60 -6.849 5.483 -9.583 1212 HA LEU 60 HA LEU 60 -4.331 4.076 -8.896 1213 1HB LEU 60 HB2 LEU 60 -7.152 4.046 -7.879 1214 2HB LEU 60 HB1 LEU 60 -6.161 2.619 -7.589 1215 HG LEU 60 HG LEU 60 -6.064 4.250 -5.729 1216 1HD1 LEU 60 HD11 LEU 60 -3.846 3.823 -5.284 1217 2HD1 LEU 60 HD12 LEU 60 -3.295 4.386 -6.858 1218 3HD1 LEU 60 HD13 LEU 60 -4.007 2.782 -6.694 1219 1HD2 LEU 60 HD21 LEU 60 -6.325 6.275 -7.186 1220 2HD2 LEU 60 HD22 LEU 60 -4.655 6.059 -7.710 1221 3HD2 LEU 60 HD23 LEU 60 -5.009 6.414 -6.020 1222 H ASP 61 HN ASP 61 -7.422 3.279 -10.579 1223 HA ASP 61 HA ASP 61 -6.849 0.565 -11.082 1224 1HB ASP 61 HB2 ASP 61 -8.983 1.881 -11.525 1225 2HB ASP 61 HB1 ASP 61 -8.219 2.407 -13.026 1226 H GLU 62 HN GLU 62 -4.760 0.186 -11.614 1227 HA GLU 62 HA GLU 62 -3.553 1.562 -13.940 1228 1HB GLU 62 HB2 GLU 62 -1.527 0.248 -13.367 1229 2HB GLU 62 HB1 GLU 62 -2.124 1.154 -11.977 1230 1HG GLU 62 HG2 GLU 62 -3.405 -0.957 -11.320 1231 2HG GLU 62 HG1 GLU 62 -2.449 -1.799 -12.539 1232 H ASP 63 HN ASP 63 -4.755 -1.607 -12.978 1233 HA ASP 63 HA ASP 63 -4.062 -2.794 -15.574 1234 1HB ASP 63 HB2 ASP 63 -5.465 -4.719 -14.673 1235 2HB ASP 63 HB1 ASP 63 -4.061 -4.300 -13.691 1236 H GLY 64 HN GLY 64 -6.375 -0.638 -14.502 1237 1HA GLY 64 HA2 GLY 64 -8.374 0.116 -15.502 1238 2HA GLY 64 HA1 GLY 64 -7.895 -0.800 -16.932 1239 H ASP 65 HN ASP 65 -8.557 -1.921 -13.612 1240 HA ASP 65 HA ASP 65 -10.407 -3.961 -14.771 1241 1HB ASP 65 HB2 ASP 65 -10.186 -5.059 -12.568 1242 2HB ASP 65 HB1 ASP 65 -8.605 -4.769 -13.295 1243 H GLY 66 HN GLY 66 -10.543 -0.922 -13.338 1244 1HA GLY 66 HA2 GLY 66 -12.392 0.289 -12.515 1245 2HA GLY 66 HA1 GLY 66 -13.416 -1.042 -13.057 1246 H GLU 67 HN GLU 67 -11.098 -2.440 -11.264 1247 HA GLU 67 HA GLU 67 -12.596 -2.170 -8.677 1248 1HB GLU 67 HB2 GLU 67 -11.568 -4.612 -10.130 1249 2HB GLU 67 HB1 GLU 67 -11.684 -4.626 -8.371 1250 1HG GLU 67 HG2 GLU 67 -13.744 -5.528 -9.301 1251 2HG GLU 67 HG1 GLU 67 -14.090 -3.961 -8.572 1252 H CYS 68 HN CYS 68 -10.981 -3.089 -6.860 1253 HA CYS 68 HA CYS 68 -8.228 -2.051 -7.461 1254 1HB CYS 68 HB2 CYS 68 -9.830 -1.648 -4.918 1255 2HB CYS 68 HB1 CYS 68 -8.187 -1.078 -5.210 1256 HG CYS 68 HG CYS 68 -10.683 0.339 -6.114 1257 H ASP 69 HN ASP 69 -7.520 -4.292 -7.719 1258 HA ASP 69 HA ASP 69 -7.940 -6.385 -5.904 1259 1HB ASP 69 HB2 ASP 69 -6.745 -6.635 -8.055 1260 2HB ASP 69 HB1 ASP 69 -5.382 -5.724 -7.402 1261 H PHE 70 HN PHE 70 -5.656 -7.173 -4.574 1262 HA PHE 70 HA PHE 70 -5.602 -5.324 -2.357 1263 1HB PHE 70 HB2 PHE 70 -3.696 -7.065 -1.671 1264 2HB PHE 70 HB1 PHE 70 -5.401 -7.492 -1.601 1265 HD1 PHE 70 HD1 PHE 70 -6.201 -9.341 -2.803 1266 HD2 PHE 70 HD2 PHE 70 -2.460 -7.563 -3.932 1267 HE1 PHE 70 HE1 PHE 70 -5.824 -11.169 -4.434 1268 HE2 PHE 70 HE2 PHE 70 -2.083 -9.389 -5.562 1269 HZ PHE 70 HZ PHE 70 -3.764 -11.193 -5.815 1270 H GLN 71 HN GLN 71 -3.454 -5.977 -5.048 1271 HA GLN 71 HA GLN 71 -1.135 -4.713 -3.944 1272 1HB GLN 71 HB2 GLN 71 -1.016 -6.319 -5.807 1273 2HB GLN 71 HB1 GLN 71 -1.893 -5.187 -6.838 1274 1HG GLN 71 HG2 GLN 71 -0.121 -3.602 -6.761 1275 2HG GLN 71 HG1 GLN 71 0.690 -4.469 -5.452 1276 1HE2 GLN 71 HE21 GLN 71 0.996 -7.002 -6.197 1277 2HE2 GLN 71 HE22 GLN 71 1.721 -7.168 -7.724 1278 H GLU 72 HN GLU 72 -3.786 -3.536 -5.980 1279 HA GLU 72 HA GLU 72 -2.587 -0.842 -6.092 1280 1HB GLU 72 HB2 GLU 72 -3.627 -1.701 -8.104 1281 2HB GLU 72 HB1 GLU 72 -5.111 -2.069 -7.232 1282 1HG GLU 72 HG2 GLU 72 -5.383 0.404 -6.783 1283 2HG GLU 72 HG1 GLU 72 -3.990 0.688 -7.829 1284 H PHE 73 HN PHE 73 -5.271 -2.559 -4.564 1285 HA PHE 73 HA PHE 73 -6.660 -0.364 -3.511 1286 1HB PHE 73 HB2 PHE 73 -7.614 -2.526 -3.191 1287 2HB PHE 73 HB1 PHE 73 -6.144 -3.123 -2.438 1288 HD1 PHE 73 HD1 PHE 73 -6.804 -3.815 -0.299 1289 HD2 PHE 73 HD2 PHE 73 -8.009 0.057 -1.728 1290 HE1 PHE 73 HE1 PHE 73 -7.722 -3.270 1.929 1291 HE2 PHE 73 HE2 PHE 73 -8.923 0.593 0.506 1292 HZ PHE 73 HZ PHE 73 -8.799 -1.084 2.326 1293 H MET 74 HN MET 74 -3.815 -2.040 -2.167 1294 HA MET 74 HA MET 74 -3.669 -0.366 0.151 1295 1HB MET 74 HB2 MET 74 -2.290 -2.567 -0.683 1296 2HB MET 74 HB1 MET 74 -1.112 -1.326 -1.095 1297 1HG MET 74 HG2 MET 74 -1.859 -0.585 1.488 1298 2HG MET 74 HG1 MET 74 -1.915 -2.342 1.569 1299 1HE MET 74 HE1 MET 74 -0.278 -1.597 3.443 1300 2HE MET 74 HE2 MET 74 1.428 -1.936 3.204 1301 3HE MET 74 HE3 MET 74 0.235 -3.188 2.868 1302 H ALA 75 HN ALA 75 -2.303 -0.211 -3.086 1303 HA ALA 75 HA ALA 75 -0.769 2.152 -2.858 1304 1HB ALA 75 HB1 ALA 75 -0.874 2.338 -5.203 1305 2HB ALA 75 HB2 ALA 75 -2.511 1.706 -5.277 1306 3HB ALA 75 HB3 ALA 75 -1.164 0.623 -4.932 1307 H PHE 76 HN PHE 76 -4.194 1.825 -2.634 1308 HA PHE 76 HA PHE 76 -4.744 4.631 -3.244 1309 1HB PHE 76 HB2 PHE 76 -6.596 3.118 -3.520 1310 2HB PHE 76 HB1 PHE 76 -6.412 2.505 -1.885 1311 HD1 PHE 76 HD1 PHE 76 -8.205 3.148 -0.545 1312 HD2 PHE 76 HD2 PHE 76 -6.574 5.983 -3.341 1313 HE1 PHE 76 HE1 PHE 76 -9.766 4.874 0.285 1314 HE2 PHE 76 HE2 PHE 76 -8.134 7.706 -2.495 1315 HZ PHE 76 HZ PHE 76 -9.732 7.158 -0.685 1316 H VAL 77 HN VAL 77 -4.609 2.751 -0.183 1317 HA VAL 77 HA VAL 77 -4.903 4.954 1.576 1318 HB VAL 77 HB VAL 77 -3.231 2.438 1.879 1319 1HG1 VAL 77 HG11 VAL 77 -2.352 4.028 3.442 1320 2HG1 VAL 77 HG12 VAL 77 -3.458 3.003 4.357 1321 3HG1 VAL 77 HG13 VAL 77 -3.963 4.615 3.848 1322 1HG2 VAL 77 HG21 VAL 77 -5.772 2.281 1.615 1323 2HG2 VAL 77 HG22 VAL 77 -5.884 3.142 3.151 1324 3HG2 VAL 77 HG23 VAL 77 -5.102 1.562 3.082 1325 H SER 78 HN SER 78 -2.113 3.809 -0.219 1326 HA SER 78 HA SER 78 -0.138 5.461 1.037 1327 1HB SER 78 HB2 SER 78 0.149 3.457 -0.604 1328 2HB SER 78 HB1 SER 78 -0.038 4.653 -1.866 1329 HG SER 78 HG SER 78 1.675 5.826 -0.788 1330 H MET 79 HN MET 79 -2.525 5.930 -1.436 1331 HA MET 79 HA MET 79 -1.457 8.429 -2.439 1332 1HB MET 79 HB2 MET 79 -2.990 6.851 -3.705 1333 2HB MET 79 HB1 MET 79 -4.296 7.412 -2.662 1334 1HG MET 79 HG2 MET 79 -3.480 9.809 -3.422 1335 2HG MET 79 HG1 MET 79 -2.781 8.915 -4.773 1336 1HE MET 79 HE1 MET 79 -5.595 9.904 -6.877 1337 2HE MET 79 HE2 MET 79 -4.289 8.729 -7.006 1338 3HE MET 79 HE3 MET 79 -3.987 10.289 -6.246 1339 H VAL 80 HN VAL 80 -3.710 7.516 0.094 1340 HA VAL 80 HA VAL 80 -4.466 10.336 0.527 1341 HB VAL 80 HB VAL 80 -6.156 9.582 1.938 1342 1HG1 VAL 80 HG11 VAL 80 -7.170 7.579 0.986 1343 2HG1 VAL 80 HG12 VAL 80 -5.626 7.112 0.280 1344 3HG1 VAL 80 HG13 VAL 80 -6.454 8.557 -0.295 1345 1HG2 VAL 80 HG21 VAL 80 -6.045 7.287 3.079 1346 2HG2 VAL 80 HG22 VAL 80 -4.922 8.511 3.671 1347 3HG2 VAL 80 HG23 VAL 80 -4.355 7.247 2.591 1348 H THR 81 HN THR 81 -2.399 7.768 1.740 1349 HA THR 81 HA THR 81 -1.628 9.164 4.158 1350 HB THR 81 HB THR 81 0.011 7.183 2.557 1351 HG1 THR 81 HG1 THR 81 -0.985 5.632 3.905 1352 1HG2 THR 81 HG21 THR 81 0.033 8.118 5.426 1353 2HG2 THR 81 HG22 THR 81 1.345 8.184 4.252 1354 3HG2 THR 81 HG23 THR 81 0.828 6.632 4.911 1355 H THR 82 HN THR 82 -0.449 9.050 0.779 1356 HA THR 82 HA THR 82 1.920 10.555 1.236 1357 HB THR 82 HB THR 82 1.594 11.083 -1.270 1358 HG1 THR 82 HG1 THR 82 -0.426 9.134 -0.967 1359 1HG2 THR 82 HG21 THR 82 3.056 9.324 -0.977 1360 2HG2 THR 82 HG22 THR 82 1.711 8.423 -1.680 1361 3HG2 THR 82 HG23 THR 82 1.955 8.425 0.065 1362 H ALA 83 HN ALA 83 -1.435 11.644 0.466 1363 HA ALA 83 HA ALA 83 -0.747 14.372 0.068 1364 1HB ALA 83 HB1 ALA 83 -2.959 13.483 -0.521 1365 2HB ALA 83 HB2 ALA 83 -3.132 14.809 0.630 1366 3HB ALA 83 HB3 ALA 83 -3.288 13.140 1.178 1367 H CYS 84 HN CYS 84 -1.289 12.416 2.944 1368 HA CYS 84 HA CYS 84 -1.273 14.724 4.750 1369 1HB CYS 84 HB2 CYS 84 -2.447 12.651 5.379 1370 2HB CYS 84 HB1 CYS 84 -0.924 11.763 5.321 1371 HG CYS 84 HG CYS 84 -1.852 13.190 7.717 1372 H HIS 85 HN HIS 85 1.107 12.771 3.199 1373 HA HIS 85 HA HIS 85 3.226 13.412 5.147 1374 1HB HIS 85 HB2 HIS 85 3.358 11.256 4.048 1375 2HB HIS 85 HB1 HIS 85 3.257 12.014 2.460 1376 HD1 HIS 85 HD1 HIS 85 5.568 11.290 1.635 1377 HD2 HIS 85 HD2 HIS 85 5.715 13.407 5.222 1378 HE1 HIS 85 HE1 HIS 85 8.011 11.776 2.079 1379 H GLU 86 HN GLU 86 2.213 14.415 1.887 1380 HA GLU 86 HA GLU 86 4.499 16.213 1.588 1381 1HB GLU 86 HB2 GLU 86 3.492 16.882 -0.484 1382 2HB GLU 86 HB1 GLU 86 3.210 15.147 -0.330 1383 1HG GLU 86 HG2 GLU 86 0.963 15.781 0.750 1384 2HG GLU 86 HG1 GLU 86 1.253 17.404 0.125 1385 H PHE 87 HN PHE 87 1.299 16.417 2.946 1386 HA PHE 87 HA PHE 87 1.071 19.299 2.873 1387 1HB PHE 87 HB2 PHE 87 -0.803 17.594 3.284 1388 2HB PHE 87 HB1 PHE 87 -0.191 17.477 4.933 1389 HD1 PHE 87 HD1 PHE 87 -1.523 19.857 2.395 1390 HD2 PHE 87 HD2 PHE 87 -0.670 19.161 6.547 1391 HE1 PHE 87 HE1 PHE 87 -2.753 21.925 2.994 1392 HE2 PHE 87 HE2 PHE 87 -1.900 21.231 7.146 1393 HZ PHE 87 HZ PHE 87 -2.940 22.613 5.370 1394 H PHE 88 HN PHE 88 2.284 16.979 5.279 1395 HA PHE 88 HA PHE 88 2.773 18.804 7.390 1396 1HB PHE 88 HB2 PHE 88 2.942 16.329 7.591 1397 2HB PHE 88 HB1 PHE 88 4.429 16.376 6.644 1398 HD1 PHE 88 HD1 PHE 88 2.843 17.613 9.784 1399 HD2 PHE 88 HD2 PHE 88 6.510 16.927 7.653 1400 HE1 PHE 88 HE1 PHE 88 4.133 18.121 11.840 1401 HE2 PHE 88 HE2 PHE 88 7.799 17.436 9.710 1402 HZ PHE 88 HZ PHE 88 6.612 18.033 11.803 1403 H GLU 89 HN GLU 89 5.327 17.509 5.223 1404 HA GLU 89 HA GLU 89 7.121 19.671 5.910 1405 1HB GLU 89 HB2 GLU 89 8.473 18.738 3.948 1406 2HB GLU 89 HB1 GLU 89 8.151 17.624 5.277 1407 1HG GLU 89 HG2 GLU 89 6.321 16.604 4.049 1408 2HG GLU 89 HG1 GLU 89 6.469 17.798 2.759 1409 H HIS 90 HN HIS 90 4.420 20.273 4.546 1410 HA HIS 90 HA HIS 90 5.054 21.372 1.959 1411 1HB HIS 90 HB2 HIS 90 2.727 20.937 2.648 1412 2HB HIS 90 HB1 HIS 90 2.864 22.165 3.906 1413 HD1 HIS 90 HD1 HIS 90 1.181 23.824 2.897 1414 HD2 HIS 90 HD2 HIS 90 4.237 22.789 0.254 1415 HE1 HIS 90 HE1 HIS 90 1.002 25.417 0.932 1416 HE2 HIS 90 HE2 HIS 90 2.856 24.795 -0.682 1417 H GLU 91 HN GLU 91 6.795 22.771 1.937 1418 HA GLU 91 HA GLU 91 7.326 24.689 4.033 1419 1HB GLU 91 HB2 GLU 91 9.060 23.793 2.451 1420 2HB GLU 91 HB1 GLU 91 8.310 24.736 1.163 1421 1HG GLU 91 HG2 GLU 91 8.687 26.806 2.485 1422 2HG GLU 91 HG1 GLU 91 9.494 25.847 3.726 Start of MODEL 5 1 1H MET 0 HT1 MET 0 -12.626 2.823 15.394 2 2H MET 0 HT2 MET 0 -11.531 4.014 15.918 3 3H MET 0 HT3 MET 0 -12.151 2.881 17.022 4 HA MET 0 HA MET 0 -9.858 2.368 16.369 5 1HB MET 0 HB2 MET 0 -12.072 0.474 15.541 6 2HB MET 0 HB1 MET 0 -10.376 -0.005 15.615 7 1HG MET 0 HG2 MET 0 -10.260 0.380 17.961 8 2HG MET 0 HG1 MET 0 -11.781 1.274 17.966 9 1HE MET 0 HE1 MET 0 -10.524 -2.009 19.338 10 2HE MET 0 HE2 MET 0 -12.140 -2.030 20.039 11 3HE MET 0 HE3 MET 0 -11.237 -0.519 19.975 12 H SER 1 HN SER 1 -9.219 3.876 14.651 13 HA SER 1 HA SER 1 -9.873 3.101 11.873 14 1HB SER 1 HB2 SER 1 -8.111 5.044 11.477 15 2HB SER 1 HB1 SER 1 -9.758 5.416 11.979 16 HG SER 1 HG SER 1 -7.402 5.774 13.294 17 H GLU 2 HN GLU 2 -8.907 0.998 12.133 18 HA GLU 2 HA GLU 2 -6.230 0.386 12.752 19 1HB GLU 2 HB2 GLU 2 -8.134 -0.838 10.752 20 2HB GLU 2 HB1 GLU 2 -6.522 -1.499 11.019 21 1HG GLU 2 HG2 GLU 2 -7.020 -1.771 13.413 22 2HG GLU 2 HG1 GLU 2 -8.628 -1.093 13.158 23 H LEU 3 HN LEU 3 -7.560 1.775 9.795 24 HA LEU 3 HA LEU 3 -5.124 1.518 8.258 25 1HB LEU 3 HB2 LEU 3 -7.778 2.806 7.940 26 2HB LEU 3 HB1 LEU 3 -6.476 3.588 7.053 27 HG LEU 3 HG LEU 3 -5.967 1.587 5.845 28 1HD1 LEU 3 HD11 LEU 3 -6.072 -0.263 7.226 29 2HD1 LEU 3 HD12 LEU 3 -7.595 -0.459 6.380 30 3HD1 LEU 3 HD13 LEU 3 -7.575 0.257 7.990 31 1HD2 LEU 3 HD21 LEU 3 -7.834 2.707 4.865 32 2HD2 LEU 3 HD22 LEU 3 -8.944 2.064 6.076 33 3HD2 LEU 3 HD23 LEU 3 -8.243 0.994 4.866 34 H GLU 4 HN GLU 4 -6.154 3.749 10.712 35 HA GLU 4 HA GLU 4 -4.442 5.942 9.870 36 1HB GLU 4 HB2 GLU 4 -6.297 6.482 11.305 37 2HB GLU 4 HB1 GLU 4 -5.794 5.293 12.505 38 1HG GLU 4 HG2 GLU 4 -3.862 6.582 13.099 39 2HG GLU 4 HG1 GLU 4 -4.071 7.651 11.711 40 H LYS 5 HN LYS 5 -4.121 3.144 11.988 41 HA LYS 5 HA LYS 5 -1.573 3.890 13.112 42 1HB LYS 5 HB2 LYS 5 -3.153 1.336 12.858 43 2HB LYS 5 HB1 LYS 5 -1.483 1.260 13.419 44 1HG LYS 5 HG2 LYS 5 -1.953 2.304 15.420 45 2HG LYS 5 HG1 LYS 5 -3.200 3.331 14.724 46 1HD LYS 5 HD2 LYS 5 -3.753 0.381 14.901 47 2HD LYS 5 HD1 LYS 5 -3.824 1.328 16.385 48 1HE LYS 5 HE2 LYS 5 -5.277 2.235 13.896 49 2HE LYS 5 HE1 LYS 5 -6.010 1.086 15.018 50 1HZ LYS 5 HZ1 LYS 5 -6.673 3.245 15.683 51 2HZ LYS 5 HZ2 LYS 5 -5.084 3.841 15.604 52 3HZ LYS 5 HZ3 LYS 5 -5.518 2.728 16.811 53 H ALA 6 HN ALA 6 -2.534 1.838 10.376 54 HA ALA 6 HA ALA 6 0.076 1.055 9.580 55 1HB ALA 6 HB1 ALA 6 -0.952 0.631 7.356 56 2HB ALA 6 HB2 ALA 6 -2.400 1.482 7.891 57 3HB ALA 6 HB3 ALA 6 -1.923 -0.023 8.675 58 H MET 7 HN MET 7 -1.927 3.697 8.244 59 HA MET 7 HA MET 7 -0.027 4.749 6.474 60 1HB MET 7 HB2 MET 7 -2.102 6.174 8.171 61 2HB MET 7 HB1 MET 7 -1.131 7.007 6.961 62 1HG MET 7 HG2 MET 7 -2.043 4.966 5.428 63 2HG MET 7 HG1 MET 7 -3.368 5.063 6.582 64 1HE MET 7 HE1 MET 7 -5.329 5.998 5.112 65 2HE MET 7 HE2 MET 7 -5.484 7.737 5.338 66 3HE MET 7 HE3 MET 7 -5.068 6.712 6.710 67 H VAL 8 HN VAL 8 -0.318 5.296 9.966 68 HA VAL 8 HA VAL 8 1.813 7.258 10.038 69 HB VAL 8 HB VAL 8 0.452 5.546 12.131 70 1HG1 VAL 8 HG11 VAL 8 2.603 5.733 13.082 71 2HG1 VAL 8 HG12 VAL 8 1.728 7.102 13.772 72 3HG1 VAL 8 HG13 VAL 8 2.848 7.356 12.433 73 1HG2 VAL 8 HG21 VAL 8 -0.616 7.618 11.022 74 2HG2 VAL 8 HG22 VAL 8 0.583 8.559 11.911 75 3HG2 VAL 8 HG23 VAL 8 -0.591 7.577 12.786 76 H ALA 9 HN ALA 9 1.669 3.780 10.642 77 HA ALA 9 HA ALA 9 4.367 3.423 11.443 78 1HB ALA 9 HB1 ALA 9 3.999 1.057 10.427 79 2HB ALA 9 HB2 ALA 9 2.357 1.620 10.108 80 3HB ALA 9 HB3 ALA 9 2.965 1.562 11.764 81 H LEU 10 HN LEU 10 2.952 3.637 8.176 82 HA LEU 10 HA LEU 10 5.502 2.927 6.925 83 1HB LEU 10 HB2 LEU 10 2.775 3.704 5.957 84 2HB LEU 10 HB1 LEU 10 4.123 3.913 4.842 85 HG LEU 10 HG LEU 10 4.766 1.533 5.216 86 1HD1 LEU 10 HD11 LEU 10 2.204 1.501 6.838 87 2HD1 LEU 10 HD12 LEU 10 3.835 1.234 7.454 88 3HD1 LEU 10 HD13 LEU 10 3.104 0.063 6.354 89 1HD2 LEU 10 HD21 LEU 10 3.364 2.056 3.309 90 2HD2 LEU 10 HD22 LEU 10 1.921 2.062 4.321 91 3HD2 LEU 10 HD23 LEU 10 2.784 0.553 4.026 92 H ILE 11 HN ILE 11 3.671 6.011 7.219 93 HA ILE 11 HA ILE 11 5.309 7.693 5.765 94 HB ILE 11 HB ILE 11 3.952 8.187 8.427 95 1HG1 ILE 11 HG12 ILE 11 3.283 9.147 5.636 96 2HG1 ILE 11 HG11 ILE 11 2.634 7.659 6.316 97 1HG2 ILE 11 HG21 ILE 11 5.655 9.857 8.350 98 2HG2 ILE 11 HG22 ILE 11 4.212 10.646 7.712 99 3HG2 ILE 11 HG23 ILE 11 5.466 10.075 6.611 100 1HD1 ILE 11 HD11 ILE 11 2.375 10.322 7.722 101 2HD1 ILE 11 HD12 ILE 11 1.489 8.833 8.050 102 3HD1 ILE 11 HD13 ILE 11 1.170 9.742 6.573 103 H ASP 12 HN ASP 12 6.044 6.164 8.849 104 HA ASP 12 HA ASP 12 8.422 7.801 9.325 105 1HB ASP 12 HB2 ASP 12 7.065 6.647 11.140 106 2HB ASP 12 HB1 ASP 12 7.754 5.124 10.573 107 H VAL 13 HN VAL 13 7.871 4.398 8.375 108 HA VAL 13 HA VAL 13 10.685 3.997 7.750 109 HB VAL 13 HB VAL 13 8.182 2.353 7.264 110 1HG1 VAL 13 HG11 VAL 13 9.853 0.514 6.649 111 2HG1 VAL 13 HG12 VAL 13 11.027 1.810 6.405 112 3HG1 VAL 13 HG13 VAL 13 9.564 1.749 5.423 113 1HG2 VAL 13 HG21 VAL 13 8.916 2.381 9.559 114 2HG2 VAL 13 HG22 VAL 13 10.591 2.105 9.084 115 3HG2 VAL 13 HG23 VAL 13 9.396 0.830 8.873 116 H PHE 14 HN PHE 14 7.879 5.123 6.059 117 HA PHE 14 HA PHE 14 8.916 4.671 3.382 118 1HB PHE 14 HB2 PHE 14 6.572 4.989 3.488 119 2HB PHE 14 HB1 PHE 14 6.730 6.411 4.508 120 HD1 PHE 14 HD1 PHE 14 8.302 5.396 1.259 121 HD2 PHE 14 HD2 PHE 14 5.976 8.322 3.376 122 HE1 PHE 14 HE1 PHE 14 8.302 6.848 -0.748 123 HE2 PHE 14 HE2 PHE 14 5.979 9.772 1.367 124 HZ PHE 14 HZ PHE 14 7.143 9.033 -0.689 125 H HIS 15 HN HIS 15 8.835 7.574 5.477 126 HA HIS 15 HA HIS 15 10.345 9.150 3.572 127 1HB HIS 15 HB2 HIS 15 8.739 9.799 5.646 128 2HB HIS 15 HB1 HIS 15 10.290 9.939 6.464 129 HD1 HIS 15 HD1 HIS 15 10.902 12.359 6.462 130 HD2 HIS 15 HD2 HIS 15 9.263 11.202 2.808 131 HE1 HIS 15 HE1 HIS 15 11.013 14.389 4.951 132 H GLN 16 HN GLN 16 11.221 7.254 6.450 133 HA GLN 16 HA GLN 16 13.911 8.220 6.671 134 1HB GLN 16 HB2 GLN 16 12.566 5.646 7.510 135 2HB GLN 16 HB1 GLN 16 14.278 5.943 7.818 136 1HG GLN 16 HG2 GLN 16 13.755 7.940 9.102 137 2HG GLN 16 HG1 GLN 16 12.044 7.792 8.697 138 1HE2 GLN 16 HE21 GLN 16 13.851 7.428 11.315 139 2HE2 GLN 16 HE22 GLN 16 13.178 6.032 12.008 140 H TYR 17 HN TYR 17 12.501 5.550 4.810 141 HA TYR 17 HA TYR 17 15.138 4.762 3.761 142 1HB TYR 17 HB2 TYR 17 12.303 3.821 3.364 143 2HB TYR 17 HB1 TYR 17 13.542 3.351 2.203 144 HD1 TYR 17 HD1 TYR 17 12.743 3.359 5.854 145 HD2 TYR 17 HD2 TYR 17 15.073 1.606 2.700 146 HE1 TYR 17 HE1 TYR 17 13.560 1.624 7.423 147 HE2 TYR 17 HE2 TYR 17 15.892 -0.128 4.271 148 HH TYR 17 HH TYR 17 14.787 -0.202 7.664 149 H SER 18 HN SER 18 12.152 6.170 2.372 150 HA SER 18 HA SER 18 13.264 6.766 -0.175 151 1HB SER 18 HB2 SER 18 11.270 8.486 1.329 152 2HB SER 18 HB1 SER 18 11.462 8.360 -0.416 153 HG SER 18 HG SER 18 10.024 6.838 -0.239 154 H GLY 19 HN GLY 19 13.560 8.291 2.954 155 1HA GLY 19 HA2 GLY 19 14.965 10.648 1.861 156 2HA GLY 19 HA1 GLY 19 14.585 10.360 3.558 157 H ARG 20 HN ARG 20 15.895 7.540 2.263 158 HA ARG 20 HA ARG 20 18.339 7.843 3.779 159 1HB ARG 20 HB2 ARG 20 17.212 5.650 3.379 160 2HB ARG 20 HB1 ARG 20 17.644 5.771 1.677 161 1HG ARG 20 HG2 ARG 20 20.049 5.893 2.340 162 2HG ARG 20 HG1 ARG 20 19.566 5.659 4.019 163 1HD ARG 20 HD2 ARG 20 18.467 3.509 3.344 164 2HD ARG 20 HD1 ARG 20 19.128 3.730 1.724 165 HE ARG 20 HE ARG 20 20.607 2.820 4.042 166 1HH1 ARG 20 HH21 ARG 20 20.718 4.631 1.114 167 2HH1 ARG 20 HH22 ARG 20 22.416 4.391 0.871 168 1HH2 ARG 20 HH11 ARG 20 22.826 2.496 3.747 169 2HH2 ARG 20 HH12 ARG 20 23.611 3.181 2.363 170 H GLU 21 HN GLU 21 17.658 7.590 0.285 171 HA GLU 21 HA GLU 21 19.967 9.386 -0.248 172 1HB GLU 21 HB2 GLU 21 20.819 7.732 -1.989 173 2HB GLU 21 HB1 GLU 21 21.094 7.277 -0.307 174 1HG GLU 21 HG2 GLU 21 19.223 5.761 -0.330 175 2HG GLU 21 HG1 GLU 21 18.694 6.351 -1.906 176 H GLY 22 HN GLY 22 20.100 9.894 -2.636 177 1HA GLY 22 HA2 GLY 22 19.060 10.770 -4.542 178 2HA GLY 22 HA1 GLY 22 18.076 9.308 -4.509 179 H ASP 23 HN ASP 23 16.179 10.438 -5.138 180 HA ASP 23 HA ASP 23 15.125 12.807 -4.143 181 1HB ASP 23 HB2 ASP 23 13.844 10.238 -5.042 182 2HB ASP 23 HB1 ASP 23 12.828 11.539 -4.421 183 H LYS 24 HN LYS 24 13.312 13.080 -2.537 184 HA LYS 24 HA LYS 24 14.064 11.719 -0.006 185 1HB LYS 24 HB2 LYS 24 13.927 14.283 -0.339 186 2HB LYS 24 HB1 LYS 24 12.179 14.061 -0.276 187 1HG LYS 24 HG2 LYS 24 12.623 12.758 1.920 188 2HG LYS 24 HG1 LYS 24 14.224 13.492 1.874 189 1HD LYS 24 HD2 LYS 24 11.580 14.979 1.865 190 2HD LYS 24 HD1 LYS 24 12.699 14.865 3.224 191 1HE LYS 24 HE2 LYS 24 14.458 15.885 1.658 192 2HE LYS 24 HE1 LYS 24 13.117 16.277 0.583 193 1HZ LYS 24 HZ1 LYS 24 12.710 18.045 1.822 194 2HZ LYS 24 HZ2 LYS 24 13.960 17.630 2.898 195 3HZ LYS 24 HZ3 LYS 24 12.384 17.047 3.156 196 H HIS 25 HN HIS 25 11.500 11.638 -2.349 197 HA HIS 25 HA HIS 25 9.781 10.169 -0.370 198 1HB HIS 25 HB2 HIS 25 8.675 11.732 -2.697 199 2HB HIS 25 HB1 HIS 25 7.840 11.178 -1.248 200 HD2 HIS 25 HD2 HIS 25 9.866 14.250 -2.459 201 HE1 HIS 25 HE1 HIS 25 9.169 14.789 1.671 202 HE2 HIS 25 HE2 HIS 25 10.003 15.905 -0.447 203 H LYS 26 HN LYS 26 11.785 9.160 -2.393 204 HA LYS 26 HA LYS 26 9.912 7.236 -3.687 205 1HB LYS 26 HB2 LYS 26 12.289 8.538 -5.041 206 2HB LYS 26 HB1 LYS 26 11.300 7.254 -5.722 207 1HG LYS 26 HG2 LYS 26 9.372 8.683 -5.825 208 2HG LYS 26 HG1 LYS 26 10.173 9.933 -4.874 209 1HD LYS 26 HD2 LYS 26 10.208 10.538 -7.254 210 2HD LYS 26 HD1 LYS 26 11.846 10.221 -6.682 211 1HE LYS 26 HE2 LYS 26 11.947 8.124 -7.763 212 2HE LYS 26 HE1 LYS 26 10.195 8.034 -7.948 213 1HZ LYS 26 HZ1 LYS 26 10.595 10.200 -9.325 214 2HZ LYS 26 HZ2 LYS 26 10.815 8.670 -10.032 215 3HZ LYS 26 HZ3 LYS 26 12.158 9.563 -9.496 216 H LEU 27 HN LEU 27 10.822 5.145 -3.855 217 HA LEU 27 HA LEU 27 13.117 4.714 -2.026 218 1HB LEU 27 HB2 LEU 27 10.927 2.970 -3.119 219 2HB LEU 27 HB1 LEU 27 12.428 2.200 -2.620 220 HG LEU 27 HG LEU 27 12.116 3.551 -0.391 221 1HD1 LEU 27 HD11 LEU 27 10.319 5.012 -1.122 222 2HD1 LEU 27 HD12 LEU 27 9.708 3.930 0.127 223 3HD1 LEU 27 HD13 LEU 27 9.327 3.624 -1.566 224 1HD2 LEU 27 HD21 LEU 27 10.619 1.753 0.470 225 2HD2 LEU 27 HD22 LEU 27 11.962 1.142 -0.489 226 3HD2 LEU 27 HD23 LEU 27 10.351 1.236 -1.191 227 H LYS 28 HN LYS 28 14.997 4.042 -2.631 228 HA LYS 28 HA LYS 28 15.601 3.628 -5.540 229 1HB LYS 28 HB2 LYS 28 17.213 4.543 -3.158 230 2HB LYS 28 HB1 LYS 28 18.053 3.773 -4.502 231 1HG LYS 28 HG2 LYS 28 17.990 6.245 -4.733 232 2HG LYS 28 HG1 LYS 28 17.147 5.438 -6.057 233 1HD LYS 28 HD2 LYS 28 14.995 5.872 -5.016 234 2HD LYS 28 HD1 LYS 28 15.774 6.529 -3.580 235 1HE LYS 28 HE2 LYS 28 15.858 8.586 -4.548 236 2HE LYS 28 HE1 LYS 28 16.731 7.939 -5.938 237 1HZ LYS 28 HZ1 LYS 28 14.658 7.276 -6.925 238 2HZ LYS 28 HZ2 LYS 28 14.594 8.930 -6.541 239 3HZ LYS 28 HZ3 LYS 28 13.794 7.795 -5.564 240 H LYS 29 HN LYS 29 16.830 1.651 -6.106 241 HA LYS 29 HA LYS 29 16.010 -0.730 -4.950 242 1HB LYS 29 HB2 LYS 29 18.682 -0.085 -6.229 243 2HB LYS 29 HB1 LYS 29 18.204 -1.723 -5.787 244 1HG LYS 29 HG2 LYS 29 16.039 -1.172 -7.194 245 2HG LYS 29 HG1 LYS 29 17.047 0.086 -7.903 246 1HD LYS 29 HD2 LYS 29 18.785 -1.802 -8.271 247 2HD LYS 29 HD1 LYS 29 17.445 -2.906 -7.960 248 1HE LYS 29 HE2 LYS 29 17.606 -0.805 -10.140 249 2HE LYS 29 HE1 LYS 29 17.583 -2.555 -10.353 250 1HZ LYS 29 HZ1 LYS 29 15.368 -2.238 -8.952 251 2HZ LYS 29 HZ2 LYS 29 15.397 -2.157 -10.650 252 3HZ LYS 29 HZ3 LYS 29 15.402 -0.730 -9.728 253 H SER 30 HN SER 30 19.005 1.004 -4.092 254 HA SER 30 HA SER 30 19.949 -0.658 -2.051 255 1HB SER 30 HB2 SER 30 19.917 2.372 -2.128 256 2HB SER 30 HB1 SER 30 20.879 1.419 -1.002 257 HG SER 30 HG SER 30 21.629 0.349 -3.064 258 H GLU 31 HN GLU 31 17.004 0.986 -2.168 259 HA GLU 31 HA GLU 31 16.613 0.874 0.810 260 1HB GLU 31 HB2 GLU 31 14.782 2.112 -1.262 261 2HB GLU 31 HB1 GLU 31 14.682 2.282 0.486 262 1HG GLU 31 HG2 GLU 31 16.881 3.396 0.516 263 2HG GLU 31 HG1 GLU 31 16.987 3.233 -1.235 264 H LEU 32 HN LEU 32 15.224 -0.269 -2.241 265 HA LEU 32 HA LEU 32 13.132 -1.747 -0.946 266 1HB LEU 32 HB2 LEU 32 13.605 -1.051 -3.528 267 2HB LEU 32 HB1 LEU 32 14.163 -2.716 -3.579 268 HG LEU 32 HG LEU 32 11.441 -1.855 -2.547 269 1HD1 LEU 32 HD11 LEU 32 10.566 -2.771 -4.647 270 2HD1 LEU 32 HD12 LEU 32 12.202 -3.160 -5.181 271 3HD1 LEU 32 HD13 LEU 32 11.711 -1.475 -4.991 272 1HD2 LEU 32 HD21 LEU 32 12.733 -4.538 -3.093 273 2HD2 LEU 32 HD22 LEU 32 11.004 -4.333 -2.823 274 3HD2 LEU 32 HD23 LEU 32 12.150 -3.932 -1.545 275 H LYS 33 HN LYS 33 16.335 -2.767 -2.158 276 HA LYS 33 HA LYS 33 15.942 -5.454 -1.132 277 1HB LYS 33 HB2 LYS 33 17.514 -5.103 -2.946 278 2HB LYS 33 HB1 LYS 33 18.446 -3.963 -1.981 279 1HG LYS 33 HG2 LYS 33 18.053 -6.665 -0.762 280 2HG LYS 33 HG1 LYS 33 19.065 -6.628 -2.202 281 1HD LYS 33 HD2 LYS 33 19.544 -4.620 -0.012 282 2HD LYS 33 HD1 LYS 33 20.156 -6.260 0.164 283 1HE LYS 33 HE2 LYS 33 20.674 -4.661 -2.339 284 2HE LYS 33 HE1 LYS 33 21.710 -4.499 -0.921 285 1HZ LYS 33 HZ1 LYS 33 21.091 -7.054 -2.302 286 2HZ LYS 33 HZ2 LYS 33 22.135 -6.859 -0.975 287 3HZ LYS 33 HZ3 LYS 33 22.531 -6.175 -2.481 288 H GLU 34 HN GLU 34 17.382 -2.467 0.101 289 HA GLU 34 HA GLU 34 18.416 -3.760 2.518 290 1HB GLU 34 HB2 GLU 34 19.366 -1.622 1.631 291 2HB GLU 34 HB1 GLU 34 17.870 -0.812 2.115 292 1HG GLU 34 HG2 GLU 34 18.242 -1.328 4.428 293 2HG GLU 34 HG1 GLU 34 19.584 -2.402 4.036 294 H LEU 35 HN LEU 35 15.428 -2.148 1.629 295 HA LEU 35 HA LEU 35 14.410 -1.930 4.336 296 1HB LEU 35 HB2 LEU 35 13.423 -0.564 2.571 297 2HB LEU 35 HB1 LEU 35 13.013 -2.008 1.642 298 HG LEU 35 HG LEU 35 11.419 -2.726 3.354 299 1HD1 LEU 35 HD11 LEU 35 12.572 -0.392 4.881 300 2HD1 LEU 35 HD12 LEU 35 12.358 -2.062 5.411 301 3HD1 LEU 35 HD13 LEU 35 10.958 -1.008 5.240 302 1HD2 LEU 35 HD21 LEU 35 10.765 -1.014 1.610 303 2HD2 LEU 35 HD22 LEU 35 11.002 0.227 2.839 304 3HD2 LEU 35 HD23 LEU 35 9.767 -1.010 3.063 305 H ILE 36 HN ILE 36 14.556 -4.374 1.877 306 HA ILE 36 HA ILE 36 12.673 -6.180 3.150 307 HB ILE 36 HB ILE 36 14.674 -6.498 0.916 308 1HG1 ILE 36 HG12 ILE 36 11.653 -6.685 0.880 309 2HG1 ILE 36 HG11 ILE 36 12.499 -5.163 0.642 310 1HG2 ILE 36 HG21 ILE 36 12.839 -8.512 2.220 311 2HG2 ILE 36 HG22 ILE 36 14.559 -8.670 1.872 312 3HG2 ILE 36 HG23 ILE 36 13.386 -8.690 0.554 313 1HD1 ILE 36 HD11 ILE 36 12.937 -7.666 -1.012 314 2HD1 ILE 36 HD12 ILE 36 13.696 -6.097 -1.282 315 3HD1 ILE 36 HD13 ILE 36 11.958 -6.289 -1.513 316 H ASN 37 HN ASN 37 16.197 -5.792 3.078 317 HA ASN 37 HA ASN 37 16.598 -8.160 4.778 318 1HB ASN 37 HB2 ASN 37 18.241 -7.600 3.037 319 2HB ASN 37 HB1 ASN 37 18.556 -6.054 3.826 320 1HD2 ASN 37 HD21 ASN 37 19.389 -6.213 6.153 321 2HD2 ASN 37 HD22 ASN 37 20.363 -7.543 6.560 322 H ASN 38 HN ASN 38 16.401 -4.672 5.220 323 HA ASN 38 HA ASN 38 17.611 -4.815 7.899 324 1HB ASN 38 HB2 ASN 38 17.932 -2.851 6.436 325 2HB ASN 38 HB1 ASN 38 16.208 -2.498 6.557 326 1HD2 ASN 38 HD21 ASN 38 19.164 -1.694 7.920 327 2HD2 ASN 38 HD22 ASN 38 18.622 -1.157 9.436 328 H GLU 39 HN GLU 39 14.259 -4.065 6.768 329 HA GLU 39 HA GLU 39 13.365 -4.426 9.624 330 1HB GLU 39 HB2 GLU 39 12.924 -2.235 8.305 331 2HB GLU 39 HB1 GLU 39 11.736 -3.176 7.405 332 1HG GLU 39 HG2 GLU 39 10.516 -2.191 9.195 333 2HG GLU 39 HG1 GLU 39 10.785 -3.862 9.691 334 H LEU 40 HN LEU 40 12.415 -5.138 6.277 335 HA LEU 40 HA LEU 40 10.437 -7.104 7.147 336 1HB LEU 40 HB2 LEU 40 11.150 -5.668 4.734 337 2HB LEU 40 HB1 LEU 40 11.050 -7.379 4.352 338 HG LEU 40 HG LEU 40 8.889 -6.397 3.984 339 1HD1 LEU 40 HD11 LEU 40 8.089 -7.558 6.558 340 2HD1 LEU 40 HD12 LEU 40 9.280 -8.556 5.725 341 3HD1 LEU 40 HD13 LEU 40 7.781 -8.123 4.921 342 1HD2 LEU 40 HD21 LEU 40 7.730 -5.025 5.539 343 2HD2 LEU 40 HD22 LEU 40 9.380 -4.408 5.532 344 3HD2 LEU 40 HD23 LEU 40 8.827 -5.436 6.854 345 H SER 41 HN SER 41 13.292 -7.424 7.916 346 HA SER 41 HA SER 41 14.244 -9.742 6.383 347 1HB SER 41 HB2 SER 41 15.424 -7.790 8.042 348 2HB SER 41 HB1 SER 41 15.669 -9.316 8.881 349 HG SER 41 HG SER 41 17.182 -9.632 7.466 350 H HIS 42 HN HIS 42 12.194 -9.268 9.133 351 HA HIS 42 HA HIS 42 12.712 -12.039 10.123 352 1HB HIS 42 HB2 HIS 42 11.235 -9.661 11.267 353 2HB HIS 42 HB1 HIS 42 11.100 -11.275 11.963 354 HD1 HIS 42 HD1 HIS 42 12.791 -8.406 12.775 355 HD2 HIS 42 HD2 HIS 42 14.184 -12.258 11.982 356 HE1 HIS 42 HE1 HIS 42 15.080 -8.578 13.851 357 HE2 HIS 42 HE2 HIS 42 15.936 -10.917 13.373 358 H PHE 43 HN PHE 43 10.362 -10.121 8.391 359 HA PHE 43 HA PHE 43 8.354 -12.333 8.583 360 1HB PHE 43 HB2 PHE 43 8.211 -9.413 8.315 361 2HB PHE 43 HB1 PHE 43 7.244 -10.208 7.079 362 HD1 PHE 43 HD1 PHE 43 7.922 -10.288 10.769 363 HD2 PHE 43 HD2 PHE 43 5.086 -10.973 7.614 364 HE1 PHE 43 HE1 PHE 43 6.156 -10.741 12.451 365 HE2 PHE 43 HE2 PHE 43 3.323 -11.424 9.296 366 HZ PHE 43 HZ PHE 43 3.857 -11.309 11.714 367 H LEU 44 HN LEU 44 9.919 -10.248 6.122 368 HA LEU 44 HA LEU 44 9.149 -12.216 4.056 369 1HB LEU 44 HB2 LEU 44 8.943 -9.822 3.522 370 2HB LEU 44 HB1 LEU 44 10.655 -9.598 3.844 371 HG LEU 44 HG LEU 44 11.245 -11.073 1.990 372 1HD1 LEU 44 HD11 LEU 44 9.204 -11.702 0.443 373 2HD1 LEU 44 HD12 LEU 44 8.270 -11.549 1.932 374 3HD1 LEU 44 HD13 LEU 44 9.588 -12.719 1.831 375 1HD2 LEU 44 HD21 LEU 44 9.116 -9.221 0.908 376 2HD2 LEU 44 HD22 LEU 44 10.711 -9.578 0.244 377 3HD2 LEU 44 HD23 LEU 44 10.562 -8.574 1.682 378 H GLU 45 HN GLU 45 10.639 -13.582 3.067 379 HA GLU 45 HA GLU 45 12.870 -14.516 4.448 380 1HB GLU 45 HB2 GLU 45 12.306 -14.484 1.476 381 2HB GLU 45 HB1 GLU 45 13.695 -15.323 2.167 382 1HG GLU 45 HG2 GLU 45 12.230 -16.699 3.550 383 2HG GLU 45 HG1 GLU 45 10.814 -15.811 2.980 384 H GLU 46 HN GLU 46 14.913 -13.775 4.784 385 HA GLU 46 HA GLU 46 15.670 -11.117 4.132 386 1HB GLU 46 HB2 GLU 46 16.646 -12.518 5.980 387 2HB GLU 46 HB1 GLU 46 17.548 -13.413 4.756 388 1HG GLU 46 HG2 GLU 46 18.617 -11.312 4.011 389 2HG GLU 46 HG1 GLU 46 17.727 -10.426 5.251 390 H ILE 47 HN ILE 47 15.391 -10.827 1.867 391 HA ILE 47 HA ILE 47 16.613 -12.485 -0.127 392 HB ILE 47 HB ILE 47 15.343 -9.787 -0.006 393 1HG1 ILE 47 HG12 ILE 47 15.101 -11.967 -2.088 394 2HG1 ILE 47 HG11 ILE 47 14.196 -11.984 -0.576 395 1HG2 ILE 47 HG21 ILE 47 15.959 -9.387 -2.443 396 2HG2 ILE 47 HG22 ILE 47 17.255 -10.565 -2.209 397 3HG2 ILE 47 HG23 ILE 47 17.231 -9.075 -1.261 398 1HD1 ILE 47 HD11 ILE 47 12.881 -10.171 -1.181 399 2HD1 ILE 47 HD12 ILE 47 13.154 -10.898 -2.761 400 3HD1 ILE 47 HD13 ILE 47 14.103 -9.498 -2.262 401 H LYS 48 HN LYS 48 18.721 -12.670 -0.643 402 HA LYS 48 HA LYS 48 20.652 -10.623 0.393 403 1HB LYS 48 HB2 LYS 48 21.316 -13.410 -0.582 404 2HB LYS 48 HB1 LYS 48 22.293 -12.348 0.433 405 1HG LYS 48 HG2 LYS 48 20.607 -12.526 2.233 406 2HG LYS 48 HG1 LYS 48 19.647 -13.605 1.220 407 1HD LYS 48 HD2 LYS 48 21.364 -15.282 1.231 408 2HD LYS 48 HD1 LYS 48 22.521 -14.176 1.974 409 1HE LYS 48 HE2 LYS 48 21.151 -14.086 4.013 410 2HE LYS 48 HE1 LYS 48 19.961 -15.155 3.271 411 1HZ LYS 48 HZ1 LYS 48 21.153 -16.874 3.948 412 2HZ LYS 48 HZ2 LYS 48 22.319 -15.842 4.626 413 3HZ LYS 48 HZ3 LYS 48 22.466 -16.350 3.011 414 H GLU 49 HN GLU 49 19.277 -11.976 -2.458 415 HA GLU 49 HA GLU 49 21.491 -10.951 -4.175 416 1HB GLU 49 HB2 GLU 49 20.463 -13.255 -4.531 417 2HB GLU 49 HB1 GLU 49 18.993 -12.427 -5.044 418 1HG GLU 49 HG2 GLU 49 20.262 -12.905 -7.033 419 2HG GLU 49 HG1 GLU 49 20.406 -11.173 -6.731 420 H GLN 50 HN GLN 50 21.083 -9.337 -5.744 421 HA GLN 50 HA GLN 50 18.763 -7.582 -5.124 422 1HB GLN 50 HB2 GLN 50 20.011 -5.976 -6.640 423 2HB GLN 50 HB1 GLN 50 20.884 -6.444 -5.180 424 1HG GLN 50 HG2 GLN 50 22.182 -8.085 -6.420 425 2HG GLN 50 HG1 GLN 50 21.234 -7.785 -7.877 426 1HE2 GLN 50 HE21 GLN 50 24.093 -7.414 -7.791 427 2HE2 GLN 50 HE22 GLN 50 24.411 -5.758 -7.996 428 H GLU 51 HN GLU 51 20.055 -9.599 -7.688 429 HA GLU 51 HA GLU 51 18.704 -8.657 -9.927 430 1HB GLU 51 HB2 GLU 51 18.978 -11.582 -9.189 431 2HB GLU 51 HB1 GLU 51 18.810 -10.914 -10.813 432 1HG GLU 51 HG2 GLU 51 21.122 -10.361 -8.928 433 2HG GLU 51 HG1 GLU 51 21.170 -11.469 -10.299 434 H VAL 52 HN VAL 52 17.387 -10.335 -7.143 435 HA VAL 52 HA VAL 52 14.830 -10.854 -8.419 436 HB VAL 52 HB VAL 52 14.063 -11.460 -6.177 437 1HG1 VAL 52 HG11 VAL 52 16.941 -12.347 -6.529 438 2HG1 VAL 52 HG12 VAL 52 15.586 -13.017 -7.438 439 3HG1 VAL 52 HG13 VAL 52 15.659 -13.219 -5.687 440 1HG2 VAL 52 HG21 VAL 52 14.940 -9.749 -4.788 441 2HG2 VAL 52 HG22 VAL 52 16.589 -10.009 -5.360 442 3HG2 VAL 52 HG23 VAL 52 15.826 -11.190 -4.296 443 H VAL 53 HN VAL 53 16.238 -8.340 -6.410 444 HA VAL 53 HA VAL 53 13.789 -6.861 -6.112 445 HB VAL 53 HB VAL 53 16.342 -6.665 -5.042 446 1HG1 VAL 53 HG11 VAL 53 17.039 -5.403 -7.140 447 2HG1 VAL 53 HG12 VAL 53 17.354 -4.600 -5.601 448 3HG1 VAL 53 HG13 VAL 53 15.977 -4.107 -6.589 449 1HG2 VAL 53 HG21 VAL 53 14.086 -4.659 -5.010 450 2HG2 VAL 53 HG22 VAL 53 15.477 -4.586 -3.930 451 3HG2 VAL 53 HG23 VAL 53 14.383 -5.965 -3.862 452 H ASP 54 HN ASP 54 16.047 -7.372 -8.630 453 HA ASP 54 HA ASP 54 15.224 -5.026 -10.204 454 1HB ASP 54 HB2 ASP 54 17.493 -6.179 -10.406 455 2HB ASP 54 HB1 ASP 54 16.649 -7.516 -11.188 456 H LYS 55 HN LYS 55 14.459 -8.444 -9.884 457 HA LYS 55 HA LYS 55 12.661 -8.491 -12.192 458 1HB LYS 55 HB2 LYS 55 13.729 -10.558 -11.512 459 2HB LYS 55 HB1 LYS 55 13.082 -10.409 -9.883 460 1HG LYS 55 HG2 LYS 55 11.021 -10.361 -12.032 461 2HG LYS 55 HG1 LYS 55 11.890 -11.885 -11.886 462 1HD LYS 55 HD2 LYS 55 11.176 -12.235 -9.672 463 2HD LYS 55 HD1 LYS 55 10.762 -10.540 -9.435 464 1HE LYS 55 HE2 LYS 55 8.736 -11.932 -9.705 465 2HE LYS 55 HE1 LYS 55 8.890 -10.760 -11.015 466 1HZ LYS 55 HZ1 LYS 55 8.567 -13.440 -11.314 467 2HZ LYS 55 HZ2 LYS 55 10.235 -13.232 -11.559 468 3HZ LYS 55 HZ3 LYS 55 9.120 -12.373 -12.509 469 H VAL 56 HN VAL 56 12.159 -8.576 -8.646 470 HA VAL 56 HA VAL 56 9.362 -8.490 -8.610 471 HB VAL 56 HB VAL 56 11.099 -8.539 -6.631 472 1HG1 VAL 56 HG11 VAL 56 11.927 -6.196 -7.243 473 2HG1 VAL 56 HG12 VAL 56 11.550 -6.470 -5.547 474 3HG1 VAL 56 HG13 VAL 56 10.414 -5.595 -6.575 475 1HG2 VAL 56 HG21 VAL 56 8.403 -7.174 -6.567 476 2HG2 VAL 56 HG22 VAL 56 9.309 -7.555 -5.104 477 3HG2 VAL 56 HG23 VAL 56 8.782 -8.851 -6.173 478 H MET 57 HN MET 57 11.681 -5.854 -8.997 479 HA MET 57 HA MET 57 9.855 -3.685 -9.104 480 1HB MET 57 HB2 MET 57 12.488 -4.212 -10.498 481 2HB MET 57 HB1 MET 57 11.607 -2.701 -10.722 482 1HG MET 57 HG2 MET 57 12.135 -3.685 -7.928 483 2HG MET 57 HG1 MET 57 13.422 -2.880 -8.826 484 1HE MET 57 HE1 MET 57 12.882 0.513 -7.672 485 2HE MET 57 HE2 MET 57 13.673 -0.367 -8.977 486 3HE MET 57 HE3 MET 57 13.726 -1.008 -7.334 487 H GLU 58 HN GLU 58 10.666 -6.173 -11.450 488 HA GLU 58 HA GLU 58 9.445 -4.966 -13.738 489 1HB GLU 58 HB2 GLU 58 10.942 -7.075 -13.627 490 2HB GLU 58 HB1 GLU 58 9.463 -7.942 -13.209 491 1HG GLU 58 HG2 GLU 58 9.661 -8.114 -15.583 492 2HG GLU 58 HG1 GLU 58 8.422 -6.892 -15.293 493 H THR 59 HN THR 59 8.162 -6.926 -11.091 494 HA THR 59 HA THR 59 5.492 -7.027 -12.297 495 HB THR 59 HB THR 59 6.363 -7.730 -9.481 496 HG1 THR 59 HG1 THR 59 7.346 -9.219 -10.630 497 1HG2 THR 59 HG21 THR 59 3.991 -7.402 -9.540 498 2HG2 THR 59 HG22 THR 59 4.247 -9.145 -9.645 499 3HG2 THR 59 HG23 THR 59 3.856 -8.221 -11.096 500 H LEU 60 HN LEU 60 7.200 -5.082 -9.889 501 HA LEU 60 HA LEU 60 4.660 -3.663 -9.223 502 1HB LEU 60 HB2 LEU 60 7.423 -3.734 -8.054 503 2HB LEU 60 HB1 LEU 60 6.412 -2.327 -7.734 504 HG LEU 60 HG LEU 60 6.208 -4.085 -5.995 505 1HD1 LEU 60 HD11 LEU 60 3.490 -4.185 -7.200 506 2HD1 LEU 60 HD12 LEU 60 4.177 -2.567 -7.080 507 3HD1 LEU 60 HD13 LEU 60 4.012 -3.561 -5.636 508 1HD2 LEU 60 HD21 LEU 60 6.520 -5.964 -7.705 509 2HD2 LEU 60 HD22 LEU 60 4.816 -5.747 -8.100 510 3HD2 LEU 60 HD23 LEU 60 5.289 -6.233 -6.472 511 H ASP 61 HN ASP 61 7.885 -2.815 -10.664 512 HA ASP 61 HA ASP 61 7.349 -0.073 -11.042 513 1HB ASP 61 HB2 ASP 61 9.503 -1.415 -11.427 514 2HB ASP 61 HB1 ASP 61 8.844 -1.766 -13.026 515 H GLU 62 HN GLU 62 5.521 0.620 -11.830 516 HA GLU 62 HA GLU 62 4.222 -0.704 -14.130 517 1HB GLU 62 HB2 GLU 62 2.694 -0.008 -12.417 518 2HB GLU 62 HB1 GLU 62 3.440 1.584 -12.308 519 1HG GLU 62 HG2 GLU 62 2.577 2.230 -14.456 520 2HG GLU 62 HG1 GLU 62 2.067 0.580 -14.816 521 H ASP 63 HN ASP 63 5.569 2.462 -13.272 522 HA ASP 63 HA ASP 63 5.346 3.431 -16.009 523 1HB ASP 63 HB2 ASP 63 6.930 5.250 -15.073 524 2HB ASP 63 HB1 ASP 63 5.323 5.139 -14.357 525 H GLY 64 HN GLY 64 7.285 1.124 -14.576 526 1HA GLY 64 HA2 GLY 64 9.346 0.169 -15.247 527 2HA GLY 64 HA1 GLY 64 9.028 0.901 -16.822 528 H ASP 65 HN ASP 65 9.427 2.501 -13.685 529 HA ASP 65 HA ASP 65 11.479 4.269 -14.932 530 1HB ASP 65 HB2 ASP 65 11.158 5.623 -12.852 531 2HB ASP 65 HB1 ASP 65 9.667 5.392 -13.766 532 H GLY 66 HN GLY 66 11.434 1.433 -13.171 533 1HA GLY 66 HA2 GLY 66 13.213 0.289 -12.118 534 2HA GLY 66 HA1 GLY 66 14.273 1.618 -12.595 535 H GLU 67 HN GLU 67 11.522 2.748 -11.062 536 HA GLU 67 HA GLU 67 12.838 2.816 -8.368 537 1HB GLU 67 HB2 GLU 67 11.418 5.086 -9.805 538 2HB GLU 67 HB1 GLU 67 11.973 5.138 -8.131 539 1HG GLU 67 HG2 GLU 67 13.799 4.579 -10.478 540 2HG GLU 67 HG1 GLU 67 13.562 6.186 -9.790 541 H CYS 68 HN CYS 68 11.127 3.460 -6.682 542 HA CYS 68 HA CYS 68 8.437 2.342 -7.434 543 1HB CYS 68 HB2 CYS 68 10.195 1.710 -5.064 544 2HB CYS 68 HB1 CYS 68 8.448 1.475 -4.994 545 HG CYS 68 HG CYS 68 10.394 -0.313 -6.480 546 H ASP 69 HN ASP 69 7.655 4.539 -7.632 547 HA ASP 69 HA ASP 69 7.919 6.617 -5.784 548 1HB ASP 69 HB2 ASP 69 6.661 6.663 -7.997 549 2HB ASP 69 HB1 ASP 69 5.305 5.923 -7.145 550 H PHE 70 HN PHE 70 5.655 7.315 -4.488 551 HA PHE 70 HA PHE 70 5.570 5.448 -2.276 552 1HB PHE 70 HB2 PHE 70 3.646 7.175 -1.621 553 2HB PHE 70 HB1 PHE 70 5.345 7.623 -1.518 554 HD1 PHE 70 HD1 PHE 70 2.421 7.696 -3.868 555 HD2 PHE 70 HD2 PHE 70 6.176 9.447 -2.754 556 HE1 PHE 70 HE1 PHE 70 2.071 9.501 -5.527 557 HE2 PHE 70 HE2 PHE 70 5.828 11.254 -4.411 558 HZ PHE 70 HZ PHE 70 3.775 11.281 -5.799 559 H GLN 71 HN GLN 71 3.484 6.162 -5.003 560 HA GLN 71 HA GLN 71 1.148 4.843 -3.977 561 1HB GLN 71 HB2 GLN 71 1.015 6.521 -5.776 562 2HB GLN 71 HB1 GLN 71 1.961 5.472 -6.833 563 1HG GLN 71 HG2 GLN 71 0.225 3.787 -6.794 564 2HG GLN 71 HG1 GLN 71 -0.692 4.711 -5.600 565 1HE2 GLN 71 HE21 GLN 71 0.785 5.263 -8.858 566 2HE2 GLN 71 HE22 GLN 71 -0.516 6.180 -9.449 567 H GLU 72 HN GLU 72 3.871 3.808 -5.979 568 HA GLU 72 HA GLU 72 2.734 1.102 -6.243 569 1HB GLU 72 HB2 GLU 72 3.738 1.723 -8.244 570 2HB GLU 72 HB1 GLU 72 4.987 2.665 -7.445 571 1HG GLU 72 HG2 GLU 72 6.120 0.562 -6.740 572 2HG GLU 72 HG1 GLU 72 4.866 -0.372 -7.560 573 H PHE 73 HN PHE 73 5.396 2.785 -4.597 574 HA PHE 73 HA PHE 73 6.736 0.537 -3.581 575 1HB PHE 73 HB2 PHE 73 7.716 2.670 -3.119 576 2HB PHE 73 HB1 PHE 73 6.231 3.257 -2.387 577 HD1 PHE 73 HD1 PHE 73 6.948 3.871 -0.230 578 HD2 PHE 73 HD2 PHE 73 7.891 -0.045 -1.736 579 HE1 PHE 73 HE1 PHE 73 7.763 3.197 2.008 580 HE2 PHE 73 HE2 PHE 73 8.701 -0.707 0.503 581 HZ PHE 73 HZ PHE 73 8.652 0.922 2.369 582 H MET 74 HN MET 74 3.892 2.219 -2.267 583 HA MET 74 HA MET 74 3.563 0.541 0.008 584 1HB MET 74 HB2 MET 74 2.259 2.690 -0.724 585 2HB MET 74 HB1 MET 74 1.237 1.578 -1.626 586 1HG MET 74 HG2 MET 74 0.051 1.246 0.288 587 2HG MET 74 HG1 MET 74 1.455 0.429 0.963 588 1HE MET 74 HE1 MET 74 -1.041 2.380 2.167 589 2HE MET 74 HE2 MET 74 -0.186 2.956 3.596 590 3HE MET 74 HE3 MET 74 -0.045 1.267 3.114 591 H ALA 75 HN ALA 75 2.401 0.329 -3.306 592 HA ALA 75 HA ALA 75 0.947 -2.085 -3.141 593 1HB ALA 75 HB1 ALA 75 2.755 -1.599 -5.501 594 2HB ALA 75 HB2 ALA 75 1.404 -0.514 -5.188 595 3HB ALA 75 HB3 ALA 75 1.111 -2.226 -5.473 596 H PHE 76 HN PHE 76 4.343 -1.631 -2.719 597 HA PHE 76 HA PHE 76 5.065 -4.396 -3.355 598 1HB PHE 76 HB2 PHE 76 6.855 -2.749 -3.442 599 2HB PHE 76 HB1 PHE 76 6.568 -2.294 -1.766 600 HD1 PHE 76 HD1 PHE 76 7.108 -5.469 -3.706 601 HD2 PHE 76 HD2 PHE 76 8.056 -3.172 -0.197 602 HE1 PHE 76 HE1 PHE 76 8.619 -7.271 -2.923 603 HE2 PHE 76 HE2 PHE 76 9.573 -4.975 0.571 604 HZ PHE 76 HZ PHE 76 9.852 -7.025 -0.792 605 H VAL 77 HN VAL 77 4.767 -2.620 -0.250 606 HA VAL 77 HA VAL 77 5.036 -4.887 1.431 607 HB VAL 77 HB VAL 77 3.376 -2.372 1.791 608 1HG1 VAL 77 HG11 VAL 77 4.044 -4.630 3.685 609 2HG1 VAL 77 HG12 VAL 77 2.453 -3.977 3.288 610 3HG1 VAL 77 HG13 VAL 77 3.579 -3.026 4.257 611 1HG2 VAL 77 HG21 VAL 77 5.241 -1.534 3.010 612 2HG2 VAL 77 HG22 VAL 77 5.935 -2.258 1.558 613 3HG2 VAL 77 HG23 VAL 77 6.001 -3.123 3.095 614 H SER 78 HN SER 78 2.313 -3.678 -0.404 615 HA SER 78 HA SER 78 0.253 -5.291 0.749 616 1HB SER 78 HB2 SER 78 -1.051 -4.619 -1.114 617 2HB SER 78 HB1 SER 78 0.064 -3.283 -0.842 618 HG SER 78 HG SER 78 0.209 -5.345 -2.771 619 H MET 79 HN MET 79 2.626 -5.819 -1.768 620 HA MET 79 HA MET 79 1.537 -8.328 -2.700 621 1HB MET 79 HB2 MET 79 3.062 -6.874 -4.061 622 2HB MET 79 HB1 MET 79 4.355 -7.223 -2.919 623 1HG MET 79 HG2 MET 79 3.652 -9.766 -3.520 624 2HG MET 79 HG1 MET 79 3.152 -8.981 -5.017 625 1HE MET 79 HE1 MET 79 4.757 -8.607 -6.941 626 2HE MET 79 HE2 MET 79 4.714 -10.286 -6.409 627 3HE MET 79 HE3 MET 79 6.251 -9.549 -6.857 628 H VAL 80 HN VAL 80 3.661 -7.274 -0.173 629 HA VAL 80 HA VAL 80 4.559 -10.004 0.457 630 HB VAL 80 HB VAL 80 4.882 -7.492 2.134 631 1HG1 VAL 80 HG11 VAL 80 6.225 -10.202 2.062 632 2HG1 VAL 80 HG12 VAL 80 5.372 -9.448 3.407 633 3HG1 VAL 80 HG13 VAL 80 6.931 -8.817 2.887 634 1HG2 VAL 80 HG21 VAL 80 5.822 -7.193 -0.167 635 2HG2 VAL 80 HG22 VAL 80 6.822 -8.620 0.092 636 3HG2 VAL 80 HG23 VAL 80 7.057 -7.183 1.090 637 H THR 81 HN THR 81 2.283 -7.532 1.514 638 HA THR 81 HA THR 81 1.433 -8.931 3.888 639 HB THR 81 HB THR 81 -0.211 -7.024 2.204 640 HG1 THR 81 HG1 THR 81 0.796 -5.592 3.993 641 1HG2 THR 81 HG21 THR 81 -1.006 -6.398 4.580 642 2HG2 THR 81 HG22 THR 81 -0.268 -7.917 5.082 643 3HG2 THR 81 HG23 THR 81 -1.575 -7.923 3.901 644 H THR 82 HN THR 82 0.451 -8.921 0.455 645 HA THR 82 HA THR 82 -1.928 -10.457 0.830 646 HB THR 82 HB THR 82 -1.495 -11.038 -1.634 647 HG1 THR 82 HG1 THR 82 0.856 -10.593 -1.207 648 1HG2 THR 82 HG21 THR 82 -1.853 -8.329 -0.395 649 2HG2 THR 82 HG22 THR 82 -2.946 -9.254 -1.427 650 3HG2 THR 82 HG23 THR 82 -1.572 -8.402 -2.135 651 H ALA 83 HN ALA 83 1.471 -11.545 0.230 652 HA ALA 83 HA ALA 83 0.708 -14.317 -0.005 653 1HB ALA 83 HB1 ALA 83 2.903 -13.259 -0.779 654 2HB ALA 83 HB2 ALA 83 3.061 -14.776 0.107 655 3HB ALA 83 HB3 ALA 83 3.388 -13.246 0.917 656 H CYS 84 HN CYS 84 1.484 -12.157 2.644 657 HA CYS 84 HA CYS 84 1.785 -14.222 4.650 658 1HB CYS 84 HB2 CYS 84 1.078 -11.282 4.903 659 2HB CYS 84 HB1 CYS 84 1.499 -12.334 6.254 660 HG CYS 84 HG CYS 84 3.890 -12.053 5.681 661 H HIS 85 HN HIS 85 -0.915 -12.744 3.081 662 HA HIS 85 HA HIS 85 -2.812 -13.791 5.152 663 1HB HIS 85 HB2 HIS 85 -3.228 -11.478 4.642 664 2HB HIS 85 HB1 HIS 85 -3.133 -11.777 2.908 665 HD1 HIS 85 HD1 HIS 85 -5.243 -13.015 5.853 666 HD2 HIS 85 HD2 HIS 85 -5.626 -12.153 1.792 667 HE1 HIS 85 HE1 HIS 85 -7.680 -13.392 5.266 668 H GLU 86 HN GLU 86 -1.835 -14.089 1.776 669 HA GLU 86 HA GLU 86 -4.086 -15.774 1.041 670 1HB GLU 86 HB2 GLU 86 -2.926 -14.533 -0.698 671 2HB GLU 86 HB1 GLU 86 -1.399 -15.312 -0.281 672 1HG GLU 86 HG2 GLU 86 -2.170 -17.446 -1.041 673 2HG GLU 86 HG1 GLU 86 -3.836 -16.877 -1.156 674 H PHE 87 HN PHE 87 -0.657 -16.403 1.774 675 HA PHE 87 HA PHE 87 -0.976 -19.277 1.619 676 1HB PHE 87 HB2 PHE 87 1.216 -18.229 1.275 677 2HB PHE 87 HB1 PHE 87 1.192 -17.604 2.926 678 HD1 PHE 87 HD1 PHE 87 1.880 -18.956 4.753 679 HD2 PHE 87 HD2 PHE 87 1.137 -20.752 0.921 680 HE1 PHE 87 HE1 PHE 87 2.823 -21.099 5.572 681 HE2 PHE 87 HE2 PHE 87 2.080 -22.892 1.741 682 HZ PHE 87 HZ PHE 87 2.924 -23.067 4.067 683 H PHE 88 HN PHE 88 -1.300 -16.886 4.179 684 HA PHE 88 HA PHE 88 -1.343 -18.901 6.298 685 1HB PHE 88 HB2 PHE 88 -0.620 -16.530 6.689 686 2HB PHE 88 HB1 PHE 88 -2.288 -16.023 6.409 687 HD1 PHE 88 HD1 PHE 88 -0.241 -18.367 8.493 688 HD2 PHE 88 HD2 PHE 88 -3.827 -16.019 8.194 689 HE1 PHE 88 HE1 PHE 88 -0.797 -18.916 10.847 690 HE2 PHE 88 HE2 PHE 88 -4.382 -16.569 10.549 691 HZ PHE 88 HZ PHE 88 -2.867 -18.017 11.874 692 H GLU 89 HN GLU 89 -3.727 -17.134 4.378 693 HA GLU 89 HA GLU 89 -5.999 -18.047 5.906 694 1HB GLU 89 HB2 GLU 89 -6.091 -16.094 4.368 695 2HB GLU 89 HB1 GLU 89 -5.868 -17.179 2.998 696 1HG GLU 89 HG2 GLU 89 -7.972 -18.227 3.345 697 2HG GLU 89 HG1 GLU 89 -8.124 -17.562 4.972 698 H HIS 90 HN HIS 90 -6.141 -18.880 2.548 699 HA HIS 90 HA HIS 90 -6.816 -21.625 3.202 700 1HB HIS 90 HB2 HIS 90 -7.769 -20.431 1.237 701 2HB HIS 90 HB1 HIS 90 -6.165 -20.377 0.512 702 HD1 HIS 90 HD1 HIS 90 -8.778 -22.894 1.647 703 HD2 HIS 90 HD2 HIS 90 -5.432 -22.708 -0.838 704 HE1 HIS 90 HE1 HIS 90 -8.691 -25.095 0.392 705 HE2 HIS 90 HE2 HIS 90 -6.659 -24.990 -1.122 706 H GLU 91 HN GLU 91 -5.053 -22.705 4.137 707 HA GLU 91 HA GLU 91 -2.390 -22.506 2.879 708 1HB GLU 91 HB2 GLU 91 -1.834 -24.242 4.698 709 2HB GLU 91 HB1 GLU 91 -2.308 -22.637 5.251 710 1HG GLU 91 HG2 GLU 91 -4.523 -23.367 5.778 711 2HG GLU 91 HG1 GLU 91 -4.291 -24.898 4.931 712 1H MET 0 HT1 MET 0 12.617 -2.868 16.267 713 2H MET 0 HT2 MET 0 11.979 -3.990 15.163 714 3H MET 0 HT3 MET 0 11.528 -4.054 16.798 715 HA MET 0 HA MET 0 9.793 -2.779 16.345 716 1HB MET 0 HB2 MET 0 12.002 -0.853 15.579 717 2HB MET 0 HB1 MET 0 10.304 -0.383 15.669 718 1HG MET 0 HG2 MET 0 10.193 -0.839 18.003 719 2HG MET 0 HG1 MET 0 11.716 -1.727 17.978 720 1HE MET 0 HE1 MET 0 12.013 1.620 20.104 721 2HE MET 0 HE2 MET 0 11.283 0.017 20.090 722 3HE MET 0 HE3 MET 0 10.387 1.390 19.445 723 H SER 1 HN SER 1 9.162 -4.234 14.585 724 HA SER 1 HA SER 1 9.832 -3.385 11.833 725 1HB SER 1 HB2 SER 1 8.078 -5.318 11.375 726 2HB SER 1 HB1 SER 1 9.721 -5.702 11.880 727 HG SER 1 HG SER 1 7.312 -5.840 13.288 728 H GLU 2 HN GLU 2 8.864 -1.290 12.143 729 HA GLU 2 HA GLU 2 6.182 -0.696 12.763 730 1HB GLU 2 HB2 GLU 2 8.085 0.583 10.795 731 2HB GLU 2 HB1 GLU 2 6.475 1.238 11.097 732 1HG GLU 2 HG2 GLU 2 6.997 1.424 13.499 733 2HG GLU 2 HG1 GLU 2 8.605 0.764 13.201 734 H LEU 3 HN LEU 3 7.530 -2.004 9.773 735 HA LEU 3 HA LEU 3 5.095 -1.711 8.238 736 1HB LEU 3 HB2 LEU 3 7.753 -2.990 7.887 737 2HB LEU 3 HB1 LEU 3 6.448 -3.733 6.970 738 HG LEU 3 HG LEU 3 5.953 -1.680 5.835 739 1HD1 LEU 3 HD11 LEU 3 7.546 0.340 6.394 740 2HD1 LEU 3 HD12 LEU 3 7.684 -0.451 7.961 741 3HD1 LEU 3 HD13 LEU 3 6.111 0.078 7.370 742 1HD2 LEU 3 HD21 LEU 3 8.931 -2.181 6.045 743 2HD2 LEU 3 HD22 LEU 3 8.216 -1.104 4.845 744 3HD2 LEU 3 HD23 LEU 3 7.814 -2.818 4.837 745 H GLU 4 HN GLU 4 6.120 -4.004 10.633 746 HA GLU 4 HA GLU 4 4.414 -6.173 9.722 747 1HB GLU 4 HB2 GLU 4 6.264 -6.745 11.153 748 2HB GLU 4 HB1 GLU 4 5.746 -5.593 12.384 749 1HG GLU 4 HG2 GLU 4 3.811 -6.907 12.922 750 2HG GLU 4 HG1 GLU 4 4.040 -7.934 11.505 751 H LYS 5 HN LYS 5 4.082 -3.433 11.914 752 HA LYS 5 HA LYS 5 1.527 -4.209 13.006 753 1HB LYS 5 HB2 LYS 5 3.116 -1.653 12.828 754 2HB LYS 5 HB1 LYS 5 1.441 -1.584 13.377 755 1HG LYS 5 HG2 LYS 5 1.889 -2.681 15.356 756 2HG LYS 5 HG1 LYS 5 3.139 -3.694 14.644 757 1HD LYS 5 HD2 LYS 5 3.698 -0.750 14.900 758 2HD LYS 5 HD1 LYS 5 3.760 -1.736 16.359 759 1HE LYS 5 HE2 LYS 5 5.225 -2.580 13.854 760 2HE LYS 5 HE1 LYS 5 5.953 -1.463 15.010 761 1HZ LYS 5 HZ1 LYS 5 6.592 -3.302 16.071 762 2HZ LYS 5 HZ2 LYS 5 5.500 -4.295 15.229 763 3HZ LYS 5 HZ3 LYS 5 4.982 -3.425 16.594 764 H ALA 6 HN ALA 6 2.503 -2.084 10.331 765 HA ALA 6 HA ALA 6 -0.104 -1.281 9.547 766 1HB ALA 6 HB1 ALA 6 2.409 -1.642 7.899 767 2HB ALA 6 HB2 ALA 6 1.857 -0.154 8.664 768 3HB ALA 6 HB3 ALA 6 0.952 -0.838 7.316 769 H MET 7 HN MET 7 1.907 -3.879 8.147 770 HA MET 7 HA MET 7 0.023 -4.887 6.336 771 1HB MET 7 HB2 MET 7 2.093 -6.343 8.011 772 2HB MET 7 HB1 MET 7 1.132 -7.157 6.783 773 1HG MET 7 HG2 MET 7 2.039 -5.078 5.296 774 2HG MET 7 HG1 MET 7 3.360 -5.196 6.451 775 1HE MET 7 HE1 MET 7 5.105 -7.158 6.532 776 2HE MET 7 HE2 MET 7 5.245 -5.946 5.259 777 3HE MET 7 HE3 MET 7 5.526 -7.642 4.885 778 H VAL 8 HN VAL 8 0.291 -5.529 9.814 779 HA VAL 8 HA VAL 8 -1.841 -7.493 9.818 780 HB VAL 8 HB VAL 8 -0.486 -5.842 11.963 781 1HG1 VAL 8 HG11 VAL 8 -2.853 -7.704 12.235 782 2HG1 VAL 8 HG12 VAL 8 -2.686 -6.059 12.849 783 3HG1 VAL 8 HG13 VAL 8 -1.762 -7.371 13.579 784 1HG2 VAL 8 HG21 VAL 8 0.533 -7.901 12.577 785 2HG2 VAL 8 HG22 VAL 8 0.585 -7.880 10.815 786 3HG2 VAL 8 HG23 VAL 8 -0.631 -8.847 11.650 787 H ALA 9 HN ALA 9 -1.700 -4.032 10.518 788 HA ALA 9 HA ALA 9 -4.403 -3.695 11.314 789 1HB ALA 9 HB1 ALA 9 -3.045 -1.828 11.703 790 2HB ALA 9 HB2 ALA 9 -4.008 -1.299 10.324 791 3HB ALA 9 HB3 ALA 9 -2.355 -1.870 10.081 792 H LEU 10 HN LEU 10 -2.969 -3.821 8.051 793 HA LEU 10 HA LEU 10 -5.513 -3.075 6.803 794 1HB LEU 10 HB2 LEU 10 -2.781 -3.826 5.833 795 2HB LEU 10 HB1 LEU 10 -4.123 -4.006 4.704 796 HG LEU 10 HG LEU 10 -4.768 -1.643 5.122 797 1HD1 LEU 10 HD11 LEU 10 -3.914 -1.353 7.372 798 2HD1 LEU 10 HD12 LEU 10 -3.084 -0.207 6.319 799 3HD1 LEU 10 HD13 LEU 10 -2.266 -1.681 6.834 800 1HD2 LEU 10 HD21 LEU 10 -3.366 -2.019 3.218 801 2HD2 LEU 10 HD22 LEU 10 -1.937 -2.215 4.231 802 3HD2 LEU 10 HD23 LEU 10 -2.684 -0.628 4.060 803 H ILE 11 HN ILE 11 -3.684 -6.167 7.026 804 HA ILE 11 HA ILE 11 -5.313 -7.808 5.516 805 HB ILE 11 HB ILE 11 -3.970 -8.374 8.173 806 1HG1 ILE 11 HG12 ILE 11 -3.283 -9.259 5.361 807 2HG1 ILE 11 HG11 ILE 11 -2.642 -7.787 6.083 808 1HG2 ILE 11 HG21 ILE 11 -4.223 -10.805 7.423 809 2HG2 ILE 11 HG22 ILE 11 -5.437 -10.229 6.279 810 3HG2 ILE 11 HG23 ILE 11 -5.697 -10.036 8.014 811 1HD1 ILE 11 HD11 ILE 11 -1.214 -9.937 6.278 812 2HD1 ILE 11 HD12 ILE 11 -2.389 -10.445 7.491 813 3HD1 ILE 11 HD13 ILE 11 -1.444 -8.975 7.738 814 H ASP 12 HN ASP 12 -6.065 -6.367 8.640 815 HA ASP 12 HA ASP 12 -8.446 -8.016 9.054 816 1HB ASP 12 HB2 ASP 12 -7.100 -6.915 10.909 817 2HB ASP 12 HB1 ASP 12 -7.785 -5.377 10.384 818 H VAL 13 HN VAL 13 -7.889 -4.586 8.205 819 HA VAL 13 HA VAL 13 -10.699 -4.164 7.579 820 HB VAL 13 HB VAL 13 -8.192 -2.516 7.140 821 1HG1 VAL 13 HG11 VAL 13 -11.025 -1.978 6.248 822 2HG1 VAL 13 HG12 VAL 13 -9.535 -1.833 5.315 823 3HG1 VAL 13 HG13 VAL 13 -9.897 -0.659 6.581 824 1HG2 VAL 13 HG21 VAL 13 -8.975 -2.628 9.438 825 2HG2 VAL 13 HG22 VAL 13 -10.624 -2.257 8.932 826 3HG2 VAL 13 HG23 VAL 13 -9.363 -1.035 8.787 827 H PHE 14 HN PHE 14 -7.884 -5.247 5.868 828 HA PHE 14 HA PHE 14 -8.908 -4.723 3.200 829 1HB PHE 14 HB2 PHE 14 -6.565 -5.044 3.309 830 2HB PHE 14 HB1 PHE 14 -6.728 -6.493 4.289 831 HD1 PHE 14 HD1 PHE 14 -8.288 -5.391 1.061 832 HD2 PHE 14 HD2 PHE 14 -5.964 -8.369 3.105 833 HE1 PHE 14 HE1 PHE 14 -8.281 -6.786 -0.983 834 HE2 PHE 14 HE2 PHE 14 -5.958 -9.764 1.057 835 HZ PHE 14 HZ PHE 14 -7.117 -8.971 -0.981 836 H HIS 15 HN HIS 15 -8.835 -7.685 5.211 837 HA HIS 15 HA HIS 15 -10.337 -9.207 3.255 838 1HB HIS 15 HB2 HIS 15 -8.742 -9.915 5.322 839 2HB HIS 15 HB1 HIS 15 -10.299 -10.076 6.126 840 HD1 HIS 15 HD1 HIS 15 -10.904 -12.497 6.056 841 HD2 HIS 15 HD2 HIS 15 -9.257 -11.234 2.439 842 HE1 HIS 15 HE1 HIS 15 -11.006 -14.483 4.488 843 H GLN 16 HN GLN 16 -11.226 -7.390 6.183 844 HA GLN 16 HA GLN 16 -13.918 -8.361 6.363 845 1HB GLN 16 HB2 GLN 16 -12.564 -5.821 7.282 846 2HB GLN 16 HB1 GLN 16 -14.284 -6.103 7.563 847 1HG GLN 16 HG2 GLN 16 -13.802 -8.134 8.805 848 2HG GLN 16 HG1 GLN 16 -12.085 -8.008 8.415 849 1HE2 GLN 16 HE21 GLN 16 -13.879 -7.694 11.038 850 2HE2 GLN 16 HE22 GLN 16 -13.197 -6.322 11.767 851 H TYR 17 HN TYR 17 -12.500 -5.642 4.584 852 HA TYR 17 HA TYR 17 -15.130 -4.826 3.543 853 1HB TYR 17 HB2 TYR 17 -12.293 -3.873 3.190 854 2HB TYR 17 HB1 TYR 17 -13.525 -3.371 2.033 855 HD1 TYR 17 HD1 TYR 17 -12.749 -3.480 5.688 856 HD2 TYR 17 HD2 TYR 17 -15.063 -1.642 2.569 857 HE1 TYR 17 HE1 TYR 17 -13.577 -1.790 7.299 858 HE2 TYR 17 HE2 TYR 17 -15.892 0.048 4.182 859 HH TYR 17 HH TYR 17 -14.742 0.088 7.554 860 H SER 18 HN SER 18 -12.137 -6.195 2.128 861 HA SER 18 HA SER 18 -13.244 -6.716 -0.438 862 1HB SER 18 HB2 SER 18 -11.251 -8.492 0.998 863 2HB SER 18 HB1 SER 18 -11.435 -8.276 -0.739 864 HG SER 18 HG SER 18 -10.181 -6.606 -0.592 865 H GLY 19 HN GLY 19 -13.548 -8.328 2.645 866 1HA GLY 19 HA2 GLY 19 -14.944 -10.657 1.481 867 2HA GLY 19 HA1 GLY 19 -14.574 -10.415 3.186 868 H ARG 20 HN ARG 20 -15.879 -7.562 1.963 869 HA ARG 20 HA ARG 20 -18.331 -7.908 3.459 870 1HB ARG 20 HB2 ARG 20 -17.201 -5.704 3.123 871 2HB ARG 20 HB1 ARG 20 -17.630 -5.779 1.416 872 1HG ARG 20 HG2 ARG 20 -20.037 -5.923 2.077 873 2HG ARG 20 HG1 ARG 20 -19.552 -5.726 3.762 874 1HD ARG 20 HD2 ARG 20 -18.458 -3.559 3.135 875 2HD ARG 20 HD1 ARG 20 -19.115 -3.745 1.507 876 HE ARG 20 HE ARG 20 -20.603 -2.889 3.843 877 1HH1 ARG 20 HH21 ARG 20 -20.700 -4.630 0.871 878 2HH1 ARG 20 HH22 ARG 20 -22.398 -4.385 0.629 879 1HH2 ARG 20 HH11 ARG 20 -22.821 -2.559 3.547 880 2HH2 ARG 20 HH12 ARG 20 -23.599 -3.212 2.144 881 H GLU 21 HN GLU 21 -17.634 -7.558 -0.024 882 HA GLU 21 HA GLU 21 -19.937 -9.339 -0.620 883 1HB GLU 21 HB2 GLU 21 -20.781 -7.636 -2.317 884 2HB GLU 21 HB1 GLU 21 -21.066 -7.228 -0.624 885 1HG GLU 21 HG2 GLU 21 -19.197 -5.712 -0.594 886 2HG GLU 21 HG1 GLU 21 -18.658 -6.257 -2.183 887 H GLY 22 HN GLY 22 -20.059 -9.783 -3.021 888 1HA GLY 22 HA2 GLY 22 -19.009 -10.604 -4.944 889 2HA GLY 22 HA1 GLY 22 -18.027 -9.144 -4.868 890 H ASP 23 HN ASP 23 -16.122 -10.249 -5.515 891 HA ASP 23 HA ASP 23 -15.075 -12.646 -4.581 892 1HB ASP 23 HB2 ASP 23 -13.782 -10.058 -5.402 893 2HB ASP 23 HB1 ASP 23 -12.775 -11.378 -4.812 894 H LYS 24 HN LYS 24 -13.267 -12.964 -2.975 895 HA LYS 24 HA LYS 24 -14.035 -11.675 -0.411 896 1HB LYS 24 HB2 LYS 24 -13.895 -14.225 -0.820 897 2HB LYS 24 HB1 LYS 24 -12.148 -14.007 -0.734 898 1HG LYS 24 HG2 LYS 24 -12.615 -12.765 1.495 899 2HG LYS 24 HG1 LYS 24 -14.211 -13.508 1.414 900 1HD LYS 24 HD2 LYS 24 -11.564 -14.987 1.375 901 2HD LYS 24 HD1 LYS 24 -12.680 -14.907 2.737 902 1HE LYS 24 HE2 LYS 24 -14.444 -15.896 1.168 903 2HE LYS 24 HE1 LYS 24 -13.116 -16.241 0.058 904 1HZ LYS 24 HZ1 LYS 24 -12.038 -17.523 1.783 905 2HZ LYS 24 HZ2 LYS 24 -13.602 -18.124 1.501 906 3HZ LYS 24 HZ3 LYS 24 -13.288 -17.172 2.872 907 H HIS 25 HN HIS 25 -11.460 -11.528 -2.738 908 HA HIS 25 HA HIS 25 -9.750 -10.116 -0.709 909 1HB HIS 25 HB2 HIS 25 -8.637 -11.615 -3.077 910 2HB HIS 25 HB1 HIS 25 -7.805 -11.100 -1.610 911 HD2 HIS 25 HD2 HIS 25 -9.823 -14.139 -2.912 912 HE1 HIS 25 HE1 HIS 25 -9.149 -14.790 1.205 913 HE2 HIS 25 HE2 HIS 25 -9.970 -15.848 -0.948 914 H LYS 26 HN LYS 26 -11.748 -9.053 -2.716 915 HA LYS 26 HA LYS 26 -9.869 -7.090 -3.945 916 1HB LYS 26 HB2 LYS 26 -12.249 -8.328 -5.363 917 2HB LYS 26 HB1 LYS 26 -11.217 -7.049 -5.994 918 1HG LYS 26 HG2 LYS 26 -9.314 -8.515 -6.094 919 2HG LYS 26 HG1 LYS 26 -10.165 -9.772 -5.195 920 1HD LYS 26 HD2 LYS 26 -10.132 -10.287 -7.609 921 2HD LYS 26 HD1 LYS 26 -11.780 -10.013 -7.044 922 1HE LYS 26 HE2 LYS 26 -11.900 -7.882 -8.049 923 2HE LYS 26 HE1 LYS 26 -10.148 -7.756 -8.206 924 1HZ LYS 26 HZ1 LYS 26 -10.249 -9.631 -9.788 925 2HZ LYS 26 HZ2 LYS 26 -11.085 -8.252 -10.330 926 3HZ LYS 26 HZ3 LYS 26 -11.943 -9.581 -9.707 927 H LEU 27 HN LEU 27 -10.777 -4.996 -4.060 928 HA LEU 27 HA LEU 27 -13.079 -4.614 -2.230 929 1HB LEU 27 HB2 LEU 27 -10.880 -2.847 -3.261 930 2HB LEU 27 HB1 LEU 27 -12.383 -2.084 -2.756 931 HG LEU 27 HG LEU 27 -12.096 -3.489 -0.560 932 1HD1 LEU 27 HD11 LEU 27 -9.295 -3.541 -1.703 933 2HD1 LEU 27 HD12 LEU 27 -10.300 -4.939 -1.326 934 3HD1 LEU 27 HD13 LEU 27 -9.703 -3.906 -0.029 935 1HD2 LEU 27 HD21 LEU 27 -11.927 -1.080 -0.593 936 2HD2 LEU 27 HD22 LEU 27 -10.314 -1.164 -1.292 937 3HD2 LEU 27 HD23 LEU 27 -10.591 -1.723 0.357 938 H LYS 28 HN LYS 28 -14.959 -3.928 -2.827 939 HA LYS 28 HA LYS 28 -15.545 -3.434 -5.727 940 1HB LYS 28 HB2 LYS 28 -17.174 -4.417 -3.383 941 2HB LYS 28 HB1 LYS 28 -18.004 -3.610 -4.712 942 1HG LYS 28 HG2 LYS 28 -17.930 -6.081 -4.999 943 2HG LYS 28 HG1 LYS 28 -17.100 -5.232 -6.304 944 1HD LYS 28 HD2 LYS 28 -14.940 -5.680 -5.298 945 2HD LYS 28 HD1 LYS 28 -15.698 -6.363 -3.863 946 1HE LYS 28 HE2 LYS 28 -15.815 -8.406 -4.863 947 2HE LYS 28 HE1 LYS 28 -16.657 -7.731 -6.257 948 1HZ LYS 28 HZ1 LYS 28 -14.378 -8.781 -6.618 949 2HZ LYS 28 HZ2 LYS 28 -13.749 -7.370 -5.910 950 3HZ LYS 28 HZ3 LYS 28 -14.672 -7.270 -7.333 951 H LYS 29 HN LYS 29 -16.775 -1.444 -6.244 952 HA LYS 29 HA LYS 29 -15.962 0.905 -5.019 953 1HB LYS 29 HB2 LYS 29 -18.628 0.298 -6.328 954 2HB LYS 29 HB1 LYS 29 -18.147 1.922 -5.841 955 1HG LYS 29 HG2 LYS 29 -15.976 1.400 -7.254 956 2HG LYS 29 HG1 LYS 29 -16.992 0.169 -8.001 957 1HD LYS 29 HD2 LYS 29 -18.717 2.072 -8.323 958 2HD LYS 29 HD1 LYS 29 -17.375 3.163 -7.973 959 1HE LYS 29 HE2 LYS 29 -17.528 1.127 -10.214 960 2HE LYS 29 HE1 LYS 29 -17.502 2.883 -10.376 961 1HZ LYS 29 HZ1 LYS 29 -15.295 2.679 -9.090 962 2HZ LYS 29 HZ2 LYS 29 -15.318 2.310 -10.747 963 3HZ LYS 29 HZ3 LYS 29 -15.326 1.060 -9.596 964 H SER 30 HN SER 30 -18.961 -0.852 -4.225 965 HA SER 30 HA SER 30 -19.913 0.754 -2.143 966 1HB SER 30 HB2 SER 30 -19.884 -2.274 -2.290 967 2HB SER 30 HB1 SER 30 -20.857 -1.343 -1.157 968 HG SER 30 HG SER 30 -21.057 -1.577 -3.948 969 H GLU 31 HN GLU 31 -16.967 -0.888 -2.290 970 HA GLU 31 HA GLU 31 -16.593 -0.859 0.691 971 1HB GLU 31 HB2 GLU 31 -14.748 -2.036 -1.403 972 2HB GLU 31 HB1 GLU 31 -14.666 -2.262 0.341 973 1HG GLU 31 HG2 GLU 31 -16.872 -3.367 0.309 974 2HG GLU 31 HG1 GLU 31 -16.947 -3.156 -1.439 975 H LEU 32 HN LEU 32 -15.188 0.370 -2.318 976 HA LEU 32 HA LEU 32 -13.102 1.810 -0.971 977 1HB LEU 32 HB2 LEU 32 -13.552 1.179 -3.570 978 2HB LEU 32 HB1 LEU 32 -14.122 2.840 -3.586 979 HG LEU 32 HG LEU 32 -11.401 1.971 -2.561 980 1HD1 LEU 32 HD11 LEU 32 -10.656 3.231 -4.677 981 2HD1 LEU 32 HD12 LEU 32 -12.324 3.067 -5.223 982 3HD1 LEU 32 HD13 LEU 32 -11.352 1.629 -4.913 983 1HD2 LEU 32 HD21 LEU 32 -12.033 4.007 -1.494 984 2HD2 LEU 32 HD22 LEU 32 -12.758 4.641 -2.970 985 3HD2 LEU 32 HD23 LEU 32 -11.005 4.492 -2.843 986 H LYS 33 HN LYS 33 -16.302 2.859 -2.167 987 HA LYS 33 HA LYS 33 -15.913 5.521 -1.070 988 1HB LYS 33 HB2 LYS 33 -17.472 5.211 -2.906 989 2HB LYS 33 HB1 LYS 33 -18.412 4.052 -1.971 990 1HG LYS 33 HG2 LYS 33 -18.024 6.727 -0.691 991 2HG LYS 33 HG1 LYS 33 -19.028 6.720 -2.137 992 1HD LYS 33 HD2 LYS 33 -19.518 4.669 0.010 993 2HD LYS 33 HD1 LYS 33 -20.133 6.304 0.213 994 1HE LYS 33 HE2 LYS 33 -20.634 4.769 -2.332 995 2HE LYS 33 HE1 LYS 33 -21.670 4.548 -0.923 996 1HZ LYS 33 HZ1 LYS 33 -22.655 6.243 -2.187 997 2HZ LYS 33 HZ2 LYS 33 -21.175 7.038 -2.446 998 3HZ LYS 33 HZ3 LYS 33 -21.887 7.041 -0.902 999 H GLU 34 HN GLU 34 -17.357 2.501 0.072 1000 HA GLU 34 HA GLU 34 -18.407 3.726 2.517 1001 1HB GLU 34 HB2 GLU 34 -19.350 1.611 1.569 1002 2HB GLU 34 HB1 GLU 34 -17.852 0.792 2.029 1003 1HG GLU 34 HG2 GLU 34 -18.228 1.223 4.357 1004 2HG GLU 34 HG1 GLU 34 -19.562 2.322 4.001 1005 H LEU 35 HN LEU 35 -15.412 2.140 1.601 1006 HA LEU 35 HA LEU 35 -14.413 1.848 4.305 1007 1HB LEU 35 HB2 LEU 35 -13.414 0.531 2.511 1008 2HB LEU 35 HB1 LEU 35 -12.999 1.999 1.623 1009 HG LEU 35 HG LEU 35 -11.412 2.672 3.358 1010 1HD1 LEU 35 HD11 LEU 35 -12.564 0.295 4.819 1011 2HD1 LEU 35 HD12 LEU 35 -12.373 1.952 5.393 1012 3HD1 LEU 35 HD13 LEU 35 -10.960 0.918 5.206 1013 1HD2 LEU 35 HD21 LEU 35 -10.796 0.954 1.568 1014 2HD2 LEU 35 HD22 LEU 35 -10.960 -0.270 2.827 1015 3HD2 LEU 35 HD23 LEU 35 -9.751 1.004 2.988 1016 H ILE 36 HN ILE 36 -14.540 4.357 1.912 1017 HA ILE 36 HA ILE 36 -12.667 6.132 3.243 1018 HB ILE 36 HB ILE 36 -14.659 6.506 1.011 1019 1HG1 ILE 36 HG12 ILE 36 -11.639 6.704 0.991 1020 2HG1 ILE 36 HG11 ILE 36 -12.478 5.184 0.714 1021 1HG2 ILE 36 HG21 ILE 36 -12.842 8.488 2.381 1022 2HG2 ILE 36 HG22 ILE 36 -14.557 8.651 2.023 1023 3HG2 ILE 36 HG23 ILE 36 -13.373 8.712 0.716 1024 1HD1 ILE 36 HD11 ILE 36 -11.925 6.383 -1.409 1025 2HD1 ILE 36 HD12 ILE 36 -12.947 7.719 -0.881 1026 3HD1 ILE 36 HD13 ILE 36 -13.658 6.137 -1.200 1027 H ASN 37 HN ASN 37 -16.192 5.743 3.144 1028 HA ASN 37 HA ASN 37 -16.602 8.063 4.908 1029 1HB ASN 37 HB2 ASN 37 -18.234 7.553 3.142 1030 2HB ASN 37 HB1 ASN 37 -18.552 5.985 3.882 1031 1HD2 ASN 37 HD21 ASN 37 -19.402 6.073 6.206 1032 2HD2 ASN 37 HD22 ASN 37 -20.382 7.388 6.647 1033 H ASN 38 HN ASN 38 -16.406 4.564 5.253 1034 HA ASN 38 HA ASN 38 -17.631 4.632 7.927 1035 1HB ASN 38 HB2 ASN 38 -17.942 2.710 6.410 1036 2HB ASN 38 HB1 ASN 38 -16.219 2.351 6.533 1037 1HD2 ASN 38 HD21 ASN 38 -19.185 1.516 7.857 1038 2HD2 ASN 38 HD22 ASN 38 -18.653 0.939 9.362 1039 H GLU 39 HN GLU 39 -14.272 3.916 6.798 1040 HA GLU 39 HA GLU 39 -13.395 4.198 9.667 1041 1HB GLU 39 HB2 GLU 39 -12.946 2.045 8.289 1042 2HB GLU 39 HB1 GLU 39 -11.754 3.012 7.422 1043 1HG GLU 39 HG2 GLU 39 -10.542 1.975 9.191 1044 2HG GLU 39 HG1 GLU 39 -10.814 3.633 9.732 1045 H LEU 40 HN LEU 40 -12.423 5.001 6.348 1046 HA LEU 40 HA LEU 40 -10.452 6.946 7.280 1047 1HB LEU 40 HB2 LEU 40 -11.158 5.579 4.823 1048 2HB LEU 40 HB1 LEU 40 -11.053 7.299 4.492 1049 HG LEU 40 HG LEU 40 -8.892 6.326 4.102 1050 1HD1 LEU 40 HD11 LEU 40 -9.282 8.436 5.893 1051 2HD1 LEU 40 HD12 LEU 40 -7.773 8.009 5.104 1052 3HD1 LEU 40 HD13 LEU 40 -8.113 7.407 6.721 1053 1HD2 LEU 40 HD21 LEU 40 -7.743 4.902 5.621 1054 2HD2 LEU 40 HD22 LEU 40 -9.396 4.290 5.584 1055 3HD2 LEU 40 HD23 LEU 40 -8.848 5.275 6.942 1056 H SER 41 HN SER 41 -13.312 7.241 8.043 1057 HA SER 41 HA SER 41 -14.258 9.598 6.569 1058 1HB SER 41 HB2 SER 41 -15.445 7.599 8.159 1059 2HB SER 41 HB1 SER 41 -15.693 9.094 9.050 1060 HG SER 41 HG SER 41 -16.840 9.894 7.416 1061 H HIS 42 HN HIS 42 -12.224 9.051 9.315 1062 HA HIS 42 HA HIS 42 -12.749 11.795 10.378 1063 1HB HIS 42 HB2 HIS 42 -11.277 9.385 11.462 1064 2HB HIS 42 HB1 HIS 42 -11.147 10.980 12.205 1065 HD1 HIS 42 HD1 HIS 42 -12.835 8.092 12.935 1066 HD2 HIS 42 HD2 HIS 42 -14.236 11.956 12.222 1067 HE1 HIS 42 HE1 HIS 42 -15.130 8.234 14.005 1068 HE2 HIS 42 HE2 HIS 42 -15.990 10.581 13.577 1069 H PHE 43 HN PHE 43 -10.387 9.924 8.609 1070 HA PHE 43 HA PHE 43 -8.380 12.130 8.873 1071 1HB PHE 43 HB2 PHE 43 -8.236 9.218 8.522 1072 2HB PHE 43 HB1 PHE 43 -7.261 10.048 7.315 1073 HD1 PHE 43 HD1 PHE 43 -7.962 10.028 11.002 1074 HD2 PHE 43 HD2 PHE 43 -5.107 10.794 7.883 1075 HE1 PHE 43 HE1 PHE 43 -6.206 10.434 12.707 1076 HE2 PHE 43 HE2 PHE 43 -3.353 11.199 9.590 1077 HZ PHE 43 HZ PHE 43 -3.902 11.019 12.000 1078 H LEU 44 HN LEU 44 -9.928 10.113 6.345 1079 HA LEU 44 HA LEU 44 -9.150 12.139 4.339 1080 1HB LEU 44 HB2 LEU 44 -8.942 9.762 3.739 1081 2HB LEU 44 HB1 LEU 44 -10.657 9.530 4.046 1082 HG LEU 44 HG LEU 44 -11.239 11.050 2.231 1083 1HD1 LEU 44 HD11 LEU 44 -9.208 11.740 0.710 1084 2HD1 LEU 44 HD12 LEU 44 -8.263 11.526 2.184 1085 3HD1 LEU 44 HD13 LEU 44 -9.576 12.703 2.139 1086 1HD2 LEU 44 HD21 LEU 44 -10.658 9.620 0.432 1087 2HD2 LEU 44 HD22 LEU 44 -10.571 8.573 1.848 1088 3HD2 LEU 44 HD23 LEU 44 -9.093 9.221 1.142 1089 H GLU 45 HN GLU 45 -10.638 13.532 3.380 1090 HA GLU 45 HA GLU 45 -12.876 14.426 4.775 1091 1HB GLU 45 HB2 GLU 45 -12.300 14.477 1.805 1092 2HB GLU 45 HB1 GLU 45 -13.692 15.295 2.516 1093 1HG GLU 45 HG2 GLU 45 -12.230 16.632 3.939 1094 2HG GLU 45 HG1 GLU 45 -10.814 15.760 3.350 1095 H GLU 46 HN GLU 46 -14.921 13.677 5.079 1096 HA GLU 46 HA GLU 46 -15.676 11.038 4.350 1097 1HB GLU 46 HB2 GLU 46 -16.663 12.403 6.225 1098 2HB GLU 46 HB1 GLU 46 -17.564 13.311 5.011 1099 1HG GLU 46 HG2 GLU 46 -18.611 11.214 4.223 1100 2HG GLU 46 HG1 GLU 46 -17.725 10.315 5.455 1101 H ILE 47 HN ILE 47 -15.381 10.808 2.079 1102 HA ILE 47 HA ILE 47 -16.591 12.522 0.124 1103 HB ILE 47 HB ILE 47 -15.333 9.816 0.177 1104 1HG1 ILE 47 HG12 ILE 47 -15.055 12.075 -1.815 1105 2HG1 ILE 47 HG11 ILE 47 -14.155 12.009 -0.302 1106 1HG2 ILE 47 HG21 ILE 47 -15.926 9.476 -2.264 1107 2HG2 ILE 47 HG22 ILE 47 -17.198 10.679 -2.034 1108 3HG2 ILE 47 HG23 ILE 47 -17.230 9.173 -1.113 1109 1HD1 ILE 47 HD11 ILE 47 -13.158 10.998 -2.568 1110 2HD1 ILE 47 HD12 ILE 47 -14.073 9.580 -2.057 1111 3HD1 ILE 47 HD13 ILE 47 -12.829 10.255 -1.005 1112 H LYS 48 HN LYS 48 -18.696 12.721 -0.400 1113 HA LYS 48 HA LYS 48 -20.635 10.648 0.572 1114 1HB LYS 48 HB2 LYS 48 -21.285 13.462 -0.332 1115 2HB LYS 48 HB1 LYS 48 -22.276 12.377 0.644 1116 1HG LYS 48 HG2 LYS 48 -20.599 12.492 2.461 1117 2HG LYS 48 HG1 LYS 48 -19.635 13.606 1.491 1118 1HD LYS 48 HD2 LYS 48 -21.368 15.273 1.536 1119 2HD LYS 48 HD1 LYS 48 -22.513 14.141 2.259 1120 1HE LYS 48 HE2 LYS 48 -21.120 14.007 4.284 1121 2HE LYS 48 HE1 LYS 48 -19.956 15.118 3.563 1122 1HZ LYS 48 HZ1 LYS 48 -22.756 15.674 4.345 1123 2HZ LYS 48 HZ2 LYS 48 -21.867 16.713 3.337 1124 3HZ LYS 48 HZ3 LYS 48 -21.344 16.412 4.925 1125 H GLU 49 HN GLU 49 -19.246 12.078 -2.236 1126 HA GLU 49 HA GLU 49 -21.451 11.099 -3.989 1127 1HB GLU 49 HB2 GLU 49 -20.418 13.412 -4.277 1128 2HB GLU 49 HB1 GLU 49 -18.948 12.596 -4.807 1129 1HG GLU 49 HG2 GLU 49 -20.208 13.133 -6.786 1130 2HG GLU 49 HG1 GLU 49 -20.355 11.393 -6.535 1131 H GLN 50 HN GLN 50 -21.030 9.536 -5.608 1132 HA GLN 50 HA GLN 50 -18.715 7.762 -5.019 1133 1HB GLN 50 HB2 GLN 50 -19.956 6.195 -6.581 1134 2HB GLN 50 HB1 GLN 50 -20.841 6.631 -5.116 1135 1HG GLN 50 HG2 GLN 50 -22.125 8.301 -6.329 1136 2HG GLN 50 HG1 GLN 50 -21.167 8.033 -7.785 1137 1HE2 GLN 50 HE21 GLN 50 -24.028 7.663 -7.727 1138 2HE2 GLN 50 HE22 GLN 50 -24.346 6.015 -7.973 1139 H GLU 51 HN GLU 51 -19.994 9.848 -7.531 1140 HA GLU 51 HA GLU 51 -18.630 8.969 -9.790 1141 1HB GLU 51 HB2 GLU 51 -18.912 11.874 -8.974 1142 2HB GLU 51 HB1 GLU 51 -18.736 11.250 -10.615 1143 1HG GLU 51 HG2 GLU 51 -21.056 10.642 -8.756 1144 2HG GLU 51 HG1 GLU 51 -21.099 11.787 -10.096 1145 H VAL 52 HN VAL 52 -17.329 10.571 -6.953 1146 HA VAL 52 HA VAL 52 -14.765 11.121 -8.203 1147 HB VAL 52 HB VAL 52 -14.005 11.659 -5.939 1148 1HG1 VAL 52 HG11 VAL 52 -16.877 12.577 -6.231 1149 2HG1 VAL 52 HG12 VAL 52 -15.550 13.238 -7.185 1150 3HG1 VAL 52 HG13 VAL 52 -15.558 13.431 -5.432 1151 1HG2 VAL 52 HG21 VAL 52 -16.582 10.279 -5.165 1152 2HG2 VAL 52 HG22 VAL 52 -15.701 11.330 -4.057 1153 3HG2 VAL 52 HG23 VAL 52 -14.945 9.859 -4.667 1154 H VAL 53 HN VAL 53 -16.184 8.554 -6.269 1155 HA VAL 53 HA VAL 53 -13.737 7.065 -5.998 1156 HB VAL 53 HB VAL 53 -16.300 6.836 -4.951 1157 1HG1 VAL 53 HG11 VAL 53 -15.899 4.343 -6.599 1158 2HG1 VAL 53 HG12 VAL 53 -17.001 5.637 -7.067 1159 3HG1 VAL 53 HG13 VAL 53 -17.271 4.749 -5.564 1160 1HG2 VAL 53 HG21 VAL 53 -14.020 4.858 -4.951 1161 2HG2 VAL 53 HG22 VAL 53 -15.432 4.713 -3.904 1162 3HG2 VAL 53 HG23 VAL 53 -14.370 6.110 -3.757 1163 H ASP 54 HN ASP 54 -15.980 7.646 -8.515 1164 HA ASP 54 HA ASP 54 -15.145 5.346 -10.147 1165 1HB ASP 54 HB2 ASP 54 -17.416 6.503 -10.332 1166 2HB ASP 54 HB1 ASP 54 -16.567 7.860 -11.072 1167 H LYS 55 HN LYS 55 -14.387 8.754 -9.732 1168 HA LYS 55 HA LYS 55 -12.575 8.867 -12.025 1169 1HB LYS 55 HB2 LYS 55 -13.647 10.914 -11.291 1170 2HB LYS 55 HB1 LYS 55 -13.007 10.718 -9.663 1171 1HG LYS 55 HG2 LYS 55 -10.939 10.728 -11.808 1172 2HG LYS 55 HG1 LYS 55 -11.807 12.248 -11.621 1173 1HD LYS 55 HD2 LYS 55 -11.101 12.534 -9.393 1174 2HD LYS 55 HD1 LYS 55 -10.684 10.834 -9.205 1175 1HE LYS 55 HE2 LYS 55 -8.652 12.205 -9.432 1176 2HE LYS 55 HE1 LYS 55 -8.823 11.110 -10.805 1177 1HZ LYS 55 HZ1 LYS 55 -8.935 12.826 -12.180 1178 2HZ LYS 55 HZ2 LYS 55 -8.572 13.858 -10.883 1179 3HZ LYS 55 HZ3 LYS 55 -10.188 13.541 -11.293 1180 H VAL 56 HN VAL 56 -12.090 8.851 -8.474 1181 HA VAL 56 HA VAL 56 -9.294 8.763 -8.425 1182 HB VAL 56 HB VAL 56 -11.043 8.756 -6.453 1183 1HG1 VAL 56 HG11 VAL 56 -11.867 6.432 -7.137 1184 2HG1 VAL 56 HG12 VAL 56 -11.499 6.660 -5.430 1185 3HG1 VAL 56 HG13 VAL 56 -10.358 5.813 -6.474 1186 1HG2 VAL 56 HG21 VAL 56 -9.305 7.995 -4.905 1187 2HG2 VAL 56 HG22 VAL 56 -8.588 8.962 -6.192 1188 3HG2 VAL 56 HG23 VAL 56 -8.447 7.205 -6.227 1189 H MET 57 HN MET 57 -11.611 6.138 -8.897 1190 HA MET 57 HA MET 57 -9.784 3.974 -9.058 1191 1HB MET 57 HB2 MET 57 -12.411 4.540 -10.448 1192 2HB MET 57 HB1 MET 57 -11.527 3.035 -10.709 1193 1HG MET 57 HG2 MET 57 -12.070 3.943 -7.893 1194 2HG MET 57 HG1 MET 57 -13.355 3.165 -8.817 1195 1HE MET 57 HE1 MET 57 -13.627 0.699 -9.044 1196 2HE MET 57 HE2 MET 57 -13.652 1.212 -7.356 1197 3HE MET 57 HE3 MET 57 -12.822 -0.280 -7.810 1198 H GLU 58 HN GLU 58 -10.585 6.526 -11.338 1199 HA GLU 58 HA GLU 58 -9.349 5.385 -13.652 1200 1HB GLU 58 HB2 GLU 58 -10.845 7.493 -13.490 1201 2HB GLU 58 HB1 GLU 58 -9.367 8.346 -13.041 1202 1HG GLU 58 HG2 GLU 58 -9.553 8.580 -15.409 1203 2HG GLU 58 HG1 GLU 58 -8.317 7.350 -15.148 1204 H THR 59 HN THR 59 -8.083 7.275 -10.945 1205 HA THR 59 HA THR 59 -5.407 7.401 -12.135 1206 HB THR 59 HB THR 59 -6.287 8.034 -9.306 1207 HG1 THR 59 HG1 THR 59 -5.700 10.168 -10.755 1208 1HG2 THR 59 HG21 THR 59 -3.751 8.477 -10.882 1209 2HG2 THR 59 HG22 THR 59 -3.937 7.773 -9.274 1210 3HG2 THR 59 HG23 THR 59 -4.168 9.506 -9.511 1211 H LEU 60 HN LEU 60 -7.127 5.392 -9.795 1212 HA LEU 60 HA LEU 60 -4.590 3.957 -9.154 1213 1HB LEU 60 HB2 LEU 60 -7.356 4.002 -7.990 1214 2HB LEU 60 HB1 LEU 60 -6.352 2.583 -7.705 1215 HG LEU 60 HG LEU 60 -6.140 4.279 -5.913 1216 1HD1 LEU 60 HD11 LEU 60 -3.912 3.815 -5.587 1217 2HD1 LEU 60 HD12 LEU 60 -3.436 4.400 -7.179 1218 3HD1 LEU 60 HD13 LEU 60 -4.127 2.790 -7.002 1219 1HD2 LEU 60 HD21 LEU 60 -5.130 6.434 -6.350 1220 2HD2 LEU 60 HD22 LEU 60 -6.490 6.238 -7.456 1221 3HD2 LEU 60 HD23 LEU 60 -4.841 6.006 -8.036 1222 H ASP 61 HN ASP 61 -7.807 3.147 -10.628 1223 HA ASP 61 HA ASP 61 -7.268 0.418 -11.076 1224 1HB ASP 61 HB2 ASP 61 -9.419 1.771 -11.437 1225 2HB ASP 61 HB1 ASP 61 -8.751 2.165 -13.023 1226 H GLU 62 HN GLU 62 -5.432 -0.251 -11.875 1227 HA GLU 62 HA GLU 62 -4.128 1.139 -14.132 1228 1HB GLU 62 HB2 GLU 62 -2.595 0.409 -12.444 1229 2HB GLU 62 HB1 GLU 62 -3.344 -1.182 -12.355 1230 1HG GLU 62 HG2 GLU 62 -2.483 -1.804 -14.511 1231 2HG GLU 62 HG1 GLU 62 -1.972 -0.150 -14.851 1232 H ASP 63 HN ASP 63 -5.471 -2.052 -13.368 1233 HA ASP 63 HA ASP 63 -5.233 -2.945 -16.130 1234 1HB ASP 63 HB2 ASP 63 -6.823 -4.789 -15.253 1235 2HB ASP 63 HB1 ASP 63 -5.218 -4.700 -14.524 1236 H GLY 64 HN GLY 64 -7.183 -0.682 -14.641 1237 1HA GLY 64 HA2 GLY 64 -9.237 0.293 -15.300 1238 2HA GLY 64 HA1 GLY 64 -8.910 -0.394 -16.890 1239 H ASP 65 HN ASP 65 -9.324 -2.087 -13.803 1240 HA ASP 65 HA ASP 65 -11.371 -3.814 -15.111 1241 1HB ASP 65 HB2 ASP 65 -11.065 -5.228 -13.067 1242 2HB ASP 65 HB1 ASP 65 -9.567 -4.973 -13.965 1243 H GLY 66 HN GLY 66 -11.335 -1.031 -13.272 1244 1HA GLY 66 HA2 GLY 66 -13.119 0.087 -12.200 1245 2HA GLY 66 HA1 GLY 66 -14.180 -1.227 -12.718 1246 H GLU 67 HN GLU 67 -11.441 -2.405 -11.202 1247 HA GLU 67 HA GLU 67 -12.772 -2.548 -8.519 1248 1HB GLU 67 HB2 GLU 67 -11.341 -4.771 -10.013 1249 2HB GLU 67 HB1 GLU 67 -11.900 -4.874 -8.344 1250 1HG GLU 67 HG2 GLU 67 -13.722 -4.257 -10.680 1251 2HG GLU 67 HG1 GLU 67 -13.484 -5.878 -10.030 1252 H CYS 68 HN CYS 68 -11.068 -3.238 -6.841 1253 HA CYS 68 HA CYS 68 -8.375 -2.096 -7.545 1254 1HB CYS 68 HB2 CYS 68 -10.150 -1.531 -5.174 1255 2HB CYS 68 HB1 CYS 68 -8.405 -1.302 -5.077 1256 HG CYS 68 HG CYS 68 -10.324 0.348 -6.882 1257 H ASP 69 HN ASP 69 -7.590 -4.287 -7.801 1258 HA ASP 69 HA ASP 69 -7.861 -6.415 -6.013 1259 1HB ASP 69 HB2 ASP 69 -6.592 -6.398 -8.220 1260 2HB ASP 69 HB1 ASP 69 -5.240 -5.682 -7.340 1261 H PHE 70 HN PHE 70 -5.601 -7.147 -4.727 1262 HA PHE 70 HA PHE 70 -5.531 -5.341 -2.463 1263 1HB PHE 70 HB2 PHE 70 -3.613 -7.086 -1.842 1264 2HB PHE 70 HB1 PHE 70 -5.311 -7.538 -1.763 1265 HD1 PHE 70 HD1 PHE 70 -2.375 -7.545 -4.100 1266 HD2 PHE 70 HD2 PHE 70 -6.132 -9.330 -3.045 1267 HE1 PHE 70 HE1 PHE 70 -2.018 -9.306 -5.807 1268 HE2 PHE 70 HE2 PHE 70 -5.776 -11.091 -4.750 1269 HZ PHE 70 HZ PHE 70 -3.718 -11.080 -6.132 1270 H GLN 71 HN GLN 71 -3.429 -5.980 -5.194 1271 HA GLN 71 HA GLN 71 -1.097 -4.691 -4.122 1272 1HB GLN 71 HB2 GLN 71 -0.965 -6.316 -5.971 1273 2HB GLN 71 HB1 GLN 71 -1.899 -5.228 -6.999 1274 1HG GLN 71 HG2 GLN 71 -0.157 -3.555 -6.898 1275 2HG GLN 71 HG1 GLN 71 0.750 -4.518 -5.726 1276 1HE2 GLN 71 HE21 GLN 71 -0.709 -4.969 -9.007 1277 2HE2 GLN 71 HE22 GLN 71 0.591 -5.874 -9.617 1278 H GLU 72 HN GLU 72 -3.812 -3.600 -6.104 1279 HA GLU 72 HA GLU 72 -2.675 -0.889 -6.289 1280 1HB GLU 72 HB2 GLU 72 -3.667 -1.454 -8.311 1281 2HB GLU 72 HB1 GLU 72 -4.920 -2.418 -7.544 1282 1HG GLU 72 HG2 GLU 72 -6.056 -0.332 -6.791 1283 2HG GLU 72 HG1 GLU 72 -4.798 0.622 -7.579 1284 H PHE 73 HN PHE 73 -5.346 -2.616 -4.705 1285 HA PHE 73 HA PHE 73 -6.694 -0.400 -3.632 1286 1HB PHE 73 HB2 PHE 73 -7.673 -2.546 -3.235 1287 2HB PHE 73 HB1 PHE 73 -6.191 -3.150 -2.512 1288 HD1 PHE 73 HD1 PHE 73 -6.915 -3.822 -0.374 1289 HD2 PHE 73 HD2 PHE 73 -7.860 0.130 -1.782 1290 HE1 PHE 73 HE1 PHE 73 -7.742 -3.209 1.876 1291 HE2 PHE 73 HE2 PHE 73 -8.683 0.731 0.470 1292 HZ PHE 73 HZ PHE 73 -8.639 -0.945 2.292 1293 H MET 74 HN MET 74 -3.856 -2.116 -2.349 1294 HA MET 74 HA MET 74 -3.540 -0.501 -0.028 1295 1HB MET 74 HB2 MET 74 -2.233 -2.628 -0.811 1296 2HB MET 74 HB1 MET 74 -1.206 -1.493 -1.677 1297 1HG MET 74 HG2 MET 74 -0.030 -1.212 0.251 1298 2HG MET 74 HG1 MET 74 -1.439 -0.412 0.939 1299 1HE MET 74 HE1 MET 74 0.043 -1.309 3.085 1300 2HE MET 74 HE2 MET 74 1.050 -2.373 2.107 1301 3HE MET 74 HE3 MET 74 0.198 -3.019 3.506 1302 H ALA 75 HN ALA 75 -2.358 -0.195 -3.330 1303 HA ALA 75 HA ALA 75 -0.908 2.212 -3.087 1304 1HB ALA 75 HB1 ALA 75 -2.700 1.801 -5.469 1305 2HB ALA 75 HB2 ALA 75 -1.357 0.698 -5.181 1306 3HB ALA 75 HB3 ALA 75 -1.051 2.415 -5.414 1307 H PHE 76 HN PHE 76 -4.307 1.747 -2.700 1308 HA PHE 76 HA PHE 76 -5.027 4.527 -3.263 1309 1HB PHE 76 HB2 PHE 76 -6.816 2.881 -3.402 1310 2HB PHE 76 HB1 PHE 76 -6.534 2.384 -1.738 1311 HD1 PHE 76 HD1 PHE 76 -7.069 5.607 -3.595 1312 HD2 PHE 76 HD2 PHE 76 -8.032 3.219 -0.153 1313 HE1 PHE 76 HE1 PHE 76 -8.585 7.388 -2.777 1314 HE2 PHE 76 HE2 PHE 76 -9.550 5.001 0.656 1315 HZ PHE 76 HZ PHE 76 -9.825 7.086 -0.654 1316 H VAL 77 HN VAL 77 -4.741 2.668 -0.208 1317 HA VAL 77 HA VAL 77 -5.019 4.889 1.530 1318 HB VAL 77 HB VAL 77 -3.363 2.364 1.836 1319 1HG1 VAL 77 HG11 VAL 77 -2.446 3.919 3.381 1320 2HG1 VAL 77 HG12 VAL 77 -3.594 2.963 4.320 1321 3HG1 VAL 77 HG13 VAL 77 -4.033 4.583 3.773 1322 1HG2 VAL 77 HG21 VAL 77 -5.679 1.810 1.679 1323 2HG2 VAL 77 HG22 VAL 77 -6.153 3.191 2.666 1324 3HG2 VAL 77 HG23 VAL 77 -5.318 1.825 3.406 1325 H SER 78 HN SER 78 -2.286 3.728 -0.319 1326 HA SER 78 HA SER 78 -0.232 5.311 0.891 1327 1HB SER 78 HB2 SER 78 1.081 4.691 -0.983 1328 2HB SER 78 HB1 SER 78 -0.035 3.348 -0.754 1329 HG SER 78 HG SER 78 -0.499 5.542 -2.486 1330 H MET 79 HN MET 79 -2.596 5.904 -1.621 1331 HA MET 79 HA MET 79 -1.504 8.438 -2.482 1332 1HB MET 79 HB2 MET 79 -3.033 7.010 -3.877 1333 2HB MET 79 HB1 MET 79 -4.327 7.351 -2.733 1334 1HG MET 79 HG2 MET 79 -3.598 9.898 -3.284 1335 2HG MET 79 HG1 MET 79 -3.102 9.136 -4.794 1336 1HE MET 79 HE1 MET 79 -6.181 9.607 -6.685 1337 2HE MET 79 HE2 MET 79 -4.567 8.899 -6.682 1338 3HE MET 79 HE3 MET 79 -4.791 10.566 -6.155 1339 H VAL 80 HN VAL 80 -3.641 7.316 0.004 1340 HA VAL 80 HA VAL 80 -4.543 10.027 0.705 1341 HB VAL 80 HB VAL 80 -4.869 7.469 2.312 1342 1HG1 VAL 80 HG11 VAL 80 -6.208 10.180 2.314 1343 2HG1 VAL 80 HG12 VAL 80 -5.377 9.375 3.643 1344 3HG1 VAL 80 HG13 VAL 80 -6.934 8.772 3.083 1345 1HG2 VAL 80 HG21 VAL 80 -6.849 8.640 0.341 1346 2HG2 VAL 80 HG22 VAL 80 -6.995 7.125 1.237 1347 3HG2 VAL 80 HG23 VAL 80 -5.786 7.285 -0.038 1348 H THR 81 HN THR 81 -2.269 7.528 1.704 1349 HA THR 81 HA THR 81 -1.436 8.863 4.121 1350 HB THR 81 HB THR 81 0.224 7.000 2.403 1351 HG1 THR 81 HG1 THR 81 -1.621 5.901 2.735 1352 1HG2 THR 81 HG21 THR 81 0.952 6.302 4.801 1353 2HG2 THR 81 HG22 THR 81 0.270 7.851 5.293 1354 3HG2 THR 81 HG23 THR 81 1.592 7.800 4.128 1355 H THR 82 HN THR 82 -0.433 8.948 0.697 1356 HA THR 82 HA THR 82 1.945 10.471 1.125 1357 HB THR 82 HB THR 82 1.521 11.121 -1.324 1358 HG1 THR 82 HG1 THR 82 -0.841 10.621 -0.877 1359 1HG2 THR 82 HG21 THR 82 2.972 9.335 -1.169 1360 2HG2 THR 82 HG22 THR 82 1.598 8.494 -1.890 1361 3HG2 THR 82 HG23 THR 82 1.884 8.383 -0.154 1362 H ALA 83 HN ALA 83 -1.451 11.575 0.540 1363 HA ALA 83 HA ALA 83 -0.685 14.351 0.387 1364 1HB ALA 83 HB1 ALA 83 -2.864 13.366 -0.453 1365 2HB ALA 83 HB2 ALA 83 -3.053 14.807 0.548 1366 3HB ALA 83 HB3 ALA 83 -3.366 13.211 1.232 1367 H CYS 84 HN CYS 84 -1.483 12.120 2.972 1368 HA CYS 84 HA CYS 84 -1.790 14.135 5.027 1369 1HB CYS 84 HB2 CYS 84 -1.086 11.189 5.223 1370 2HB CYS 84 HB1 CYS 84 -1.534 12.214 6.588 1371 HG CYS 84 HG CYS 84 -3.876 11.664 6.006 1372 H HIS 85 HN HIS 85 0.917 12.700 3.433 1373 HA HIS 85 HA HIS 85 2.802 13.687 5.541 1374 1HB HIS 85 HB2 HIS 85 3.225 11.389 4.972 1375 2HB HIS 85 HB1 HIS 85 3.140 11.735 3.246 1376 HD1 HIS 85 HD1 HIS 85 5.232 12.882 6.239 1377 HD2 HIS 85 HD2 HIS 85 5.637 12.158 2.153 1378 HE1 HIS 85 HE1 HIS 85 7.672 13.275 5.679 1379 H GLU 86 HN GLU 86 1.844 14.077 2.170 1380 HA GLU 86 HA GLU 86 4.098 15.783 1.492 1381 1HB GLU 86 HB2 GLU 86 2.940 14.590 -0.285 1382 2HB GLU 86 HB1 GLU 86 1.416 15.365 0.145 1383 1HG GLU 86 HG2 GLU 86 2.202 17.515 -0.552 1384 2HG GLU 86 HG1 GLU 86 3.866 16.940 -0.675 1385 H PHE 87 HN PHE 87 0.665 16.390 2.225 1386 HA PHE 87 HA PHE 87 0.982 19.268 2.152 1387 1HB PHE 87 HB2 PHE 87 -1.206 18.228 1.770 1388 2HB PHE 87 HB1 PHE 87 -1.189 17.559 3.403 1389 HD1 PHE 87 HD1 PHE 87 -1.892 18.859 5.261 1390 HD2 PHE 87 HD2 PHE 87 -1.122 20.761 1.487 1391 HE1 PHE 87 HE1 PHE 87 -2.839 20.978 6.135 1392 HE2 PHE 87 HE2 PHE 87 -2.068 22.879 2.361 1393 HZ PHE 87 HZ PHE 87 -2.927 22.987 4.685 1394 H PHE 88 HN PHE 88 1.290 16.807 4.649 1395 HA PHE 88 HA PHE 88 1.324 18.761 6.822 1396 1HB PHE 88 HB2 PHE 88 0.605 16.378 7.142 1397 2HB PHE 88 HB1 PHE 88 2.275 15.883 6.858 1398 HD1 PHE 88 HD1 PHE 88 0.211 18.165 8.994 1399 HD2 PHE 88 HD2 PHE 88 3.802 15.832 8.652 1400 HE1 PHE 88 HE1 PHE 88 0.751 18.648 11.366 1401 HE2 PHE 88 HE2 PHE 88 4.341 16.315 11.024 1402 HZ PHE 88 HZ PHE 88 2.817 17.723 12.380 1403 H GLU 89 HN GLU 89 3.720 17.044 4.872 1404 HA GLU 89 HA GLU 89 5.985 17.919 6.432 1405 1HB GLU 89 HB2 GLU 89 6.089 16.011 4.842 1406 2HB GLU 89 HB1 GLU 89 5.861 17.130 3.500 1407 1HG GLU 89 HG2 GLU 89 7.963 18.170 3.865 1408 2HG GLU 89 HG1 GLU 89 8.116 17.480 5.481 1409 H HIS 90 HN HIS 90 6.140 18.844 3.101 1410 HA HIS 90 HA HIS 90 6.812 21.570 3.833 1411 1HB HIS 90 HB2 HIS 90 7.777 20.431 1.844 1412 2HB HIS 90 HB1 HIS 90 6.177 20.397 1.106 1413 HD1 HIS 90 HD1 HIS 90 8.785 22.878 2.323 1414 HD2 HIS 90 HD2 HIS 90 5.448 22.764 -0.179 1415 HE1 HIS 90 HE1 HIS 90 8.703 25.114 1.131 1416 HE2 HIS 90 HE2 HIS 90 6.676 25.056 -0.393 1417 H GLU 91 HN GLU 91 5.044 22.623 4.787 1418 HA GLU 91 HA GLU 91 2.389 22.461 3.511 1419 1HB GLU 91 HB2 GLU 91 1.820 24.140 5.374 1420 2HB GLU 91 HB1 GLU 91 2.300 22.523 5.887 1421 1HG GLU 91 HG2 GLU 91 4.509 23.250 6.441 1422 2HG GLU 91 HG1 GLU 91 4.273 24.802 5.636 Start of MODEL 6 1 1H MET 0 HT1 MET 0 -8.169 1.219 16.404 2 2H MET 0 HT2 MET 0 -9.202 0.022 17.028 3 3H MET 0 HT3 MET 0 -8.831 1.394 17.958 4 HA MET 0 HA MET 0 -11.073 1.160 16.557 5 1HB MET 0 HB2 MET 0 -10.499 2.950 18.169 6 2HB MET 0 HB1 MET 0 -9.465 3.702 16.955 7 1HG MET 0 HG2 MET 0 -11.360 4.112 15.503 8 2HG MET 0 HG1 MET 0 -12.432 3.198 16.562 9 1HE MET 0 HE1 MET 0 -11.443 6.710 15.581 10 2HE MET 0 HE2 MET 0 -9.955 6.035 16.241 11 3HE MET 0 HE3 MET 0 -10.735 7.394 17.051 12 H SER 1 HN SER 1 -8.892 3.613 15.241 13 HA SER 1 HA SER 1 -9.807 2.918 12.522 14 1HB SER 1 HB2 SER 1 -8.247 4.918 11.956 15 2HB SER 1 HB1 SER 1 -9.730 5.241 12.848 16 HG SER 1 HG SER 1 -8.190 4.785 14.745 17 H GLU 2 HN GLU 2 -8.793 0.862 12.385 18 HA GLU 2 HA GLU 2 -6.037 0.284 12.754 19 1HB GLU 2 HB2 GLU 2 -8.070 -0.843 10.827 20 2HB GLU 2 HB1 GLU 2 -6.429 -1.486 10.943 21 1HG GLU 2 HG2 GLU 2 -6.753 -1.995 13.303 22 2HG GLU 2 HG1 GLU 2 -8.340 -1.222 13.282 23 H LEU 3 HN LEU 3 -7.663 2.129 10.337 24 HA LEU 3 HA LEU 3 -5.576 2.001 8.345 25 1HB LEU 3 HB2 LEU 3 -8.231 3.079 8.630 26 2HB LEU 3 HB1 LEU 3 -7.179 4.370 8.054 27 HG LEU 3 HG LEU 3 -8.155 3.177 6.179 28 1HD1 LEU 3 HD11 LEU 3 -5.552 3.862 6.366 29 2HD1 LEU 3 HD12 LEU 3 -6.244 3.144 4.915 30 3HD1 LEU 3 HD13 LEU 3 -5.360 2.133 6.055 31 1HD2 LEU 3 HD21 LEU 3 -8.213 0.948 7.648 32 2HD2 LEU 3 HD22 LEU 3 -6.686 0.640 6.819 33 3HD2 LEU 3 HD23 LEU 3 -8.159 0.884 5.887 34 H GLU 4 HN GLU 4 -6.152 3.997 11.183 35 HA GLU 4 HA GLU 4 -4.294 6.097 10.358 36 1HB GLU 4 HB2 GLU 4 -6.061 6.661 11.945 37 2HB GLU 4 HB1 GLU 4 -5.504 5.413 13.064 38 1HG GLU 4 HG2 GLU 4 -3.455 6.596 13.489 39 2HG GLU 4 HG1 GLU 4 -3.759 7.716 12.165 40 H LYS 5 HN LYS 5 -4.095 2.991 11.800 41 HA LYS 5 HA LYS 5 -1.518 3.373 13.098 42 1HB LYS 5 HB2 LYS 5 -2.515 0.668 12.196 43 2HB LYS 5 HB1 LYS 5 -1.608 1.086 13.650 44 1HG LYS 5 HG2 LYS 5 -4.473 1.947 13.170 45 2HG LYS 5 HG1 LYS 5 -4.041 0.474 14.012 46 1HD LYS 5 HD2 LYS 5 -3.305 1.584 15.900 47 2HD LYS 5 HD1 LYS 5 -2.729 2.982 14.992 48 1HE LYS 5 HE2 LYS 5 -5.059 3.692 14.608 49 2HE LYS 5 HE1 LYS 5 -5.631 2.309 15.541 50 1HZ LYS 5 HZ1 LYS 5 -3.798 4.389 16.613 51 2HZ LYS 5 HZ2 LYS 5 -4.566 3.150 17.487 52 3HZ LYS 5 HZ3 LYS 5 -5.479 4.417 16.826 53 H ALA 6 HN ALA 6 -2.567 1.757 10.093 54 HA ALA 6 HA ALA 6 0.063 1.119 9.190 55 1HB ALA 6 HB1 ALA 6 -2.248 1.744 7.353 56 2HB ALA 6 HB2 ALA 6 -2.160 0.241 8.269 57 3HB ALA 6 HB3 ALA 6 -0.912 0.622 7.085 58 H MET 7 HN MET 7 -2.033 3.806 8.119 59 HA MET 7 HA MET 7 -0.184 5.008 6.408 60 1HB MET 7 HB2 MET 7 -2.226 6.373 8.196 61 2HB MET 7 HB1 MET 7 -1.342 7.181 6.905 62 1HG MET 7 HG2 MET 7 -2.325 5.057 5.509 63 2HG MET 7 HG1 MET 7 -3.590 5.231 6.723 64 1HE MET 7 HE1 MET 7 -5.527 5.984 5.071 65 2HE MET 7 HE2 MET 7 -5.781 7.715 5.238 66 3HE MET 7 HE3 MET 7 -5.385 6.756 6.659 67 H VAL 8 HN VAL 8 -0.373 5.300 9.954 68 HA VAL 8 HA VAL 8 1.681 7.378 10.014 69 HB VAL 8 HB VAL 8 0.503 5.610 12.181 70 1HG1 VAL 8 HG11 VAL 8 2.567 7.816 12.338 71 2HG1 VAL 8 HG12 VAL 8 2.697 6.167 12.948 72 3HG1 VAL 8 HG13 VAL 8 1.608 7.311 13.727 73 1HG2 VAL 8 HG21 VAL 8 -0.607 7.700 12.877 74 2HG2 VAL 8 HG22 VAL 8 -1.005 7.332 11.199 75 3HG2 VAL 8 HG23 VAL 8 0.193 8.567 11.568 76 H ALA 9 HN ALA 9 1.597 3.889 10.538 77 HA ALA 9 HA ALA 9 4.331 3.589 11.328 78 1HB ALA 9 HB1 ALA 9 2.377 1.874 11.396 79 2HB ALA 9 HB2 ALA 9 4.002 1.279 11.065 80 3HB ALA 9 HB3 ALA 9 2.854 1.493 9.742 81 H LEU 10 HN LEU 10 2.811 3.785 8.127 82 HA LEU 10 HA LEU 10 5.288 3.016 6.767 83 1HB LEU 10 HB2 LEU 10 2.536 3.822 5.961 84 2HB LEU 10 HB1 LEU 10 3.798 4.212 4.795 85 HG LEU 10 HG LEU 10 4.573 1.831 4.914 86 1HD1 LEU 10 HD11 LEU 10 2.019 1.427 6.500 87 2HD1 LEU 10 HD12 LEU 10 3.643 1.367 7.181 88 3HD1 LEU 10 HD13 LEU 10 3.143 0.172 5.985 89 1HD2 LEU 10 HD21 LEU 10 2.667 0.908 3.628 90 2HD2 LEU 10 HD22 LEU 10 3.055 2.555 3.130 91 3HD2 LEU 10 HD23 LEU 10 1.665 2.254 4.173 92 H ILE 11 HN ILE 11 3.620 6.127 7.323 93 HA ILE 11 HA ILE 11 5.214 7.850 5.869 94 HB ILE 11 HB ILE 11 4.075 8.186 8.654 95 1HG1 ILE 11 HG12 ILE 11 2.642 7.949 6.453 96 2HG1 ILE 11 HG11 ILE 11 2.230 9.188 7.631 97 1HG2 ILE 11 HG21 ILE 11 4.399 10.716 8.058 98 2HG2 ILE 11 HG22 ILE 11 5.646 10.121 6.961 99 3HG2 ILE 11 HG23 ILE 11 5.770 9.801 8.689 100 1HD1 ILE 11 HD11 ILE 11 4.060 9.754 5.292 101 2HD1 ILE 11 HD12 ILE 11 3.216 10.906 6.321 102 3HD1 ILE 11 HD13 ILE 11 2.311 9.915 5.180 103 H ASP 12 HN ASP 12 6.022 6.338 8.988 104 HA ASP 12 HA ASP 12 8.512 7.797 9.261 105 1HB ASP 12 HB2 ASP 12 7.621 5.205 10.558 106 2HB ASP 12 HB1 ASP 12 8.997 6.186 11.068 107 H VAL 13 HN VAL 13 7.818 4.399 8.299 108 HA VAL 13 HA VAL 13 10.589 3.932 7.564 109 HB VAL 13 HB VAL 13 8.205 2.336 6.566 110 1HG1 VAL 13 HG11 VAL 13 10.412 1.800 5.601 111 2HG1 VAL 13 HG12 VAL 13 9.841 0.490 6.636 112 3HG1 VAL 13 HG13 VAL 13 11.071 1.608 7.224 113 1HG2 VAL 13 HG21 VAL 13 9.594 2.309 9.259 114 2HG2 VAL 13 HG22 VAL 13 8.649 0.947 8.655 115 3HG2 VAL 13 HG23 VAL 13 7.867 2.501 8.936 116 H PHE 14 HN PHE 14 7.787 5.239 5.992 117 HA PHE 14 HA PHE 14 8.790 4.931 3.277 118 1HB PHE 14 HB2 PHE 14 6.425 5.237 3.549 119 2HB PHE 14 HB1 PHE 14 6.664 6.697 4.500 120 HD1 PHE 14 HD1 PHE 14 7.779 5.367 1.183 121 HD2 PHE 14 HD2 PHE 14 6.214 8.707 3.380 122 HE1 PHE 14 HE1 PHE 14 7.696 6.704 -0.900 123 HE2 PHE 14 HE2 PHE 14 6.148 10.046 1.296 124 HZ PHE 14 HZ PHE 14 6.888 9.036 -0.842 125 H HIS 15 HN HIS 15 8.717 7.702 5.553 126 HA HIS 15 HA HIS 15 10.280 9.353 3.735 127 1HB HIS 15 HB2 HIS 15 8.566 10.088 5.575 128 2HB HIS 15 HB1 HIS 15 9.937 9.944 6.673 129 HD1 HIS 15 HD1 HIS 15 10.521 12.365 7.078 130 HD2 HIS 15 HD2 HIS 15 10.097 11.532 3.013 131 HE1 HIS 15 HE1 HIS 15 11.314 14.422 5.826 132 H GLN 16 HN GLN 16 11.024 7.266 6.484 133 HA GLN 16 HA GLN 16 13.676 8.283 6.938 134 1HB GLN 16 HB2 GLN 16 12.355 5.636 7.554 135 2HB GLN 16 HB1 GLN 16 14.023 5.988 8.008 136 1HG GLN 16 HG2 GLN 16 11.786 7.881 8.742 137 2HG GLN 16 HG1 GLN 16 12.163 6.482 9.751 138 1HE2 GLN 16 HE21 GLN 16 12.702 9.643 9.855 139 2HE2 GLN 16 HE22 GLN 16 14.302 9.697 10.409 140 H TYR 17 HN TYR 17 12.446 5.681 4.848 141 HA TYR 17 HA TYR 17 15.154 5.005 3.951 142 1HB TYR 17 HB2 TYR 17 12.376 4.066 3.281 143 2HB TYR 17 HB1 TYR 17 13.677 3.731 2.139 144 HD1 TYR 17 HD1 TYR 17 15.360 2.100 2.601 145 HD2 TYR 17 HD2 TYR 17 12.569 3.260 5.651 146 HE1 TYR 17 HE1 TYR 17 16.158 0.246 4.037 147 HE2 TYR 17 HE2 TYR 17 13.369 1.403 7.083 148 HH TYR 17 HH TYR 17 15.610 0.057 7.261 149 H SER 18 HN SER 18 12.301 6.526 2.387 150 HA SER 18 HA SER 18 13.652 7.233 -0.003 151 1HB SER 18 HB2 SER 18 11.558 8.895 1.422 152 2HB SER 18 HB1 SER 18 11.967 8.964 -0.286 153 HG SER 18 HG SER 18 10.369 7.223 1.084 154 H GLY 19 HN GLY 19 13.738 8.554 3.226 155 1HA GLY 19 HA2 GLY 19 15.262 10.940 2.382 156 2HA GLY 19 HA1 GLY 19 14.787 10.544 4.031 157 H ARG 20 HN ARG 20 16.034 7.750 2.713 158 HA ARG 20 HA ARG 20 18.417 7.863 4.323 159 1HB ARG 20 HB2 ARG 20 17.303 5.733 3.734 160 2HB ARG 20 HB1 ARG 20 17.727 5.983 2.042 161 1HG ARG 20 HG2 ARG 20 20.142 6.004 2.709 162 2HG ARG 20 HG1 ARG 20 19.653 5.616 4.357 163 1HD ARG 20 HD2 ARG 20 18.417 3.597 3.325 164 2HD ARG 20 HD1 ARG 20 19.361 3.924 1.864 165 HE ARG 20 HE ARG 20 21.010 3.759 4.259 166 1HH1 ARG 20 HH21 ARG 20 19.395 2.050 1.746 167 2HH1 ARG 20 HH22 ARG 20 20.445 0.676 1.820 168 1HH2 ARG 20 HH11 ARG 20 22.398 1.988 4.374 169 2HH2 ARG 20 HH12 ARG 20 22.153 0.639 3.310 170 H GLU 21 HN GLU 21 17.888 7.997 0.801 171 HA GLU 21 HA GLU 21 20.149 9.851 0.525 172 1HB GLU 21 HB2 GLU 21 21.503 8.434 -0.919 173 2HB GLU 21 HB1 GLU 21 21.276 7.630 0.637 174 1HG GLU 21 HG2 GLU 21 19.264 6.456 -0.435 175 2HG GLU 21 HG1 GLU 21 19.867 7.052 -1.979 176 H GLY 22 HN GLY 22 20.303 10.781 -1.579 177 1HA GLY 22 HA2 GLY 22 19.463 11.551 -3.627 178 2HA GLY 22 HA1 GLY 22 18.760 9.952 -3.825 179 H ASP 23 HN ASP 23 16.722 10.389 -4.462 180 HA ASP 23 HA ASP 23 15.038 12.497 -4.000 181 1HB ASP 23 HB2 ASP 23 14.456 9.538 -4.120 182 2HB ASP 23 HB1 ASP 23 13.152 10.718 -3.996 183 H LYS 24 HN LYS 24 13.305 12.899 -2.443 184 HA LYS 24 HA LYS 24 14.095 12.093 0.318 185 1HB LYS 24 HB2 LYS 24 13.598 14.567 -0.657 186 2HB LYS 24 HB1 LYS 24 11.965 14.150 -0.152 187 1HG LYS 24 HG2 LYS 24 13.050 13.432 2.087 188 2HG LYS 24 HG1 LYS 24 14.460 14.335 1.539 189 1HD LYS 24 HD2 LYS 24 12.862 16.295 1.129 190 2HD LYS 24 HD1 LYS 24 11.678 15.386 2.064 191 1HE LYS 24 HE2 LYS 24 14.443 16.118 3.060 192 2HE LYS 24 HE1 LYS 24 12.970 17.000 3.459 193 1HZ LYS 24 HZ1 LYS 24 12.513 14.284 3.919 194 2HZ LYS 24 HZ2 LYS 24 12.571 15.551 5.051 195 3HZ LYS 24 HZ3 LYS 24 13.985 14.688 4.667 196 H HIS 25 HN HIS 25 11.488 11.737 -2.011 197 HA HIS 25 HA HIS 25 9.995 10.097 0.011 198 1HB HIS 25 HB2 HIS 25 8.564 11.764 -2.048 199 2HB HIS 25 HB1 HIS 25 7.938 11.069 -0.553 200 HD2 HIS 25 HD2 HIS 25 9.418 14.386 -1.771 201 HE1 HIS 25 HE1 HIS 25 9.548 14.511 2.443 202 HE2 HIS 25 HE2 HIS 25 9.817 15.874 0.327 203 H LYS 26 HN LYS 26 11.833 9.258 -2.124 204 HA LYS 26 HA LYS 26 9.936 7.479 -3.584 205 1HB LYS 26 HB2 LYS 26 10.848 9.384 -5.051 206 2HB LYS 26 HB1 LYS 26 12.430 8.650 -4.837 207 1HG LYS 26 HG2 LYS 26 11.975 7.195 -6.536 208 2HG LYS 26 HG1 LYS 26 10.659 6.518 -5.585 209 1HD LYS 26 HD2 LYS 26 9.755 7.262 -7.702 210 2HD LYS 26 HD1 LYS 26 9.176 8.351 -6.441 211 1HE LYS 26 HE2 LYS 26 11.610 9.490 -7.294 212 2HE LYS 26 HE1 LYS 26 10.786 8.989 -8.772 213 1HZ LYS 26 HZ1 LYS 26 10.278 11.273 -7.664 214 2HZ LYS 26 HZ2 LYS 26 9.241 10.347 -6.686 215 3HZ LYS 26 HZ3 LYS 26 9.034 10.362 -8.375 216 H LEU 27 HN LEU 27 10.792 5.364 -3.843 217 HA LEU 27 HA LEU 27 13.174 4.847 -2.116 218 1HB LEU 27 HB2 LEU 27 10.861 3.122 -2.976 219 2HB LEU 27 HB1 LEU 27 12.361 2.385 -2.428 220 HG LEU 27 HG LEU 27 12.131 3.962 -0.353 221 1HD1 LEU 27 HD11 LEU 27 9.377 4.118 -1.574 222 2HD1 LEU 27 HD12 LEU 27 10.406 5.438 -1.024 223 3HD1 LEU 27 HD13 LEU 27 9.659 4.357 0.150 224 1HD2 LEU 27 HD21 LEU 27 10.828 2.315 0.816 225 2HD2 LEU 27 HD22 LEU 27 11.833 1.480 -0.371 226 3HD2 LEU 27 HD23 LEU 27 10.124 1.750 -0.693 227 H LYS 28 HN LYS 28 14.907 4.022 -2.778 228 HA LYS 28 HA LYS 28 15.303 3.422 -5.696 229 1HB LYS 28 HB2 LYS 28 17.455 4.009 -3.646 230 2HB LYS 28 HB1 LYS 28 17.601 4.025 -5.407 231 1HG LYS 28 HG2 LYS 28 15.776 5.863 -5.349 232 2HG LYS 28 HG1 LYS 28 16.147 5.992 -3.633 233 1HD LYS 28 HD2 LYS 28 18.413 6.602 -4.070 234 2HD LYS 28 HD1 LYS 28 18.269 6.192 -5.780 235 1HE LYS 28 HE2 LYS 28 16.931 8.487 -4.319 236 2HE LYS 28 HE1 LYS 28 18.131 8.589 -5.609 237 1HZ LYS 28 HZ1 LYS 28 16.373 8.752 -6.947 238 2HZ LYS 28 HZ2 LYS 28 15.291 8.166 -5.773 239 3HZ LYS 28 HZ3 LYS 28 16.190 7.082 -6.719 240 H LYS 29 HN LYS 29 16.678 1.522 -6.169 241 HA LYS 29 HA LYS 29 15.959 -0.847 -4.934 242 1HB LYS 29 HB2 LYS 29 18.600 -0.104 -6.225 243 2HB LYS 29 HB1 LYS 29 18.201 -1.755 -5.747 244 1HG LYS 29 HG2 LYS 29 16.001 -1.302 -7.171 245 2HG LYS 29 HG1 LYS 29 16.997 -0.058 -7.924 246 1HD LYS 29 HD2 LYS 29 17.751 -2.989 -7.686 247 2HD LYS 29 HD1 LYS 29 17.125 -2.220 -9.147 248 1HE LYS 29 HE2 LYS 29 19.741 -1.652 -7.738 249 2HE LYS 29 HE1 LYS 29 19.513 -2.262 -9.378 250 1HZ LYS 29 HZ1 LYS 29 18.346 -0.134 -9.867 251 2HZ LYS 29 HZ2 LYS 29 20.000 0.040 -9.525 252 3HZ LYS 29 HZ3 LYS 29 18.839 0.438 -8.349 253 H SER 30 HN SER 30 18.868 1.065 -4.117 254 HA SER 30 HA SER 30 19.864 -0.483 -2.002 255 1HB SER 30 HB2 SER 30 19.715 2.527 -1.828 256 2HB SER 30 HB1 SER 30 20.969 1.462 -1.213 257 HG SER 30 HG SER 30 20.526 1.193 -3.905 258 H GLU 31 HN GLU 31 16.867 1.130 -2.186 259 HA GLU 31 HA GLU 31 16.472 1.056 0.786 260 1HB GLU 31 HB2 GLU 31 14.598 2.154 -1.322 261 2HB GLU 31 HB1 GLU 31 14.520 2.415 0.419 262 1HG GLU 31 HG2 GLU 31 16.817 3.473 0.265 263 2HG GLU 31 HG1 GLU 31 16.648 3.415 -1.490 264 H LEU 32 HN LEU 32 15.238 -0.284 -2.247 265 HA LEU 32 HA LEU 32 13.133 -1.765 -0.945 266 1HB LEU 32 HB2 LEU 32 13.642 -1.169 -3.547 267 2HB LEU 32 HB1 LEU 32 14.269 -2.814 -3.510 268 HG LEU 32 HG LEU 32 11.485 -1.987 -2.616 269 1HD1 LEU 32 HD11 LEU 32 12.556 -3.155 -5.183 270 2HD1 LEU 32 HD12 LEU 32 11.436 -1.814 -4.964 271 3HD1 LEU 32 HD13 LEU 32 10.897 -3.471 -4.676 272 1HD2 LEU 32 HD21 LEU 32 11.182 -4.537 -2.744 273 2HD2 LEU 32 HD22 LEU 32 12.119 -3.918 -1.384 274 3HD2 LEU 32 HD23 LEU 32 12.945 -4.631 -2.773 275 H LYS 33 HN LYS 33 16.332 -2.758 -2.162 276 HA LYS 33 HA LYS 33 16.055 -5.407 -1.050 277 1HB LYS 33 HB2 LYS 33 17.571 -5.111 -2.871 278 2HB LYS 33 HB1 LYS 33 18.414 -3.802 -2.058 279 1HG LYS 33 HG2 LYS 33 18.349 -6.422 -0.603 280 2HG LYS 33 HG1 LYS 33 19.323 -6.384 -2.074 281 1HD LYS 33 HD2 LYS 33 20.816 -4.807 -1.222 282 2HD LYS 33 HD1 LYS 33 19.639 -4.122 -0.109 283 1HE LYS 33 HE2 LYS 33 19.856 -5.902 1.419 284 2HE LYS 33 HE1 LYS 33 20.666 -6.933 0.237 285 1HZ LYS 33 HZ1 LYS 33 22.321 -6.096 1.673 286 2HZ LYS 33 HZ2 LYS 33 21.736 -4.506 1.559 287 3HZ LYS 33 HZ3 LYS 33 22.483 -5.240 0.218 288 H GLU 34 HN GLU 34 17.424 -2.376 0.146 289 HA GLU 34 HA GLU 34 18.533 -3.630 2.551 290 1HB GLU 34 HB2 GLU 34 19.363 -1.434 1.577 291 2HB GLU 34 HB1 GLU 34 17.904 -0.690 2.229 292 1HG GLU 34 HG2 GLU 34 19.564 -0.362 3.908 293 2HG GLU 34 HG1 GLU 34 18.589 -1.709 4.490 294 H LEU 35 HN LEU 35 15.499 -2.106 1.705 295 HA LEU 35 HA LEU 35 14.538 -1.871 4.422 296 1HB LEU 35 HB2 LEU 35 13.464 -0.548 2.697 297 2HB LEU 35 HB1 LEU 35 13.140 -1.993 1.738 298 HG LEU 35 HG LEU 35 11.541 -2.810 3.354 299 1HD1 LEU 35 HD11 LEU 35 12.385 -0.412 4.994 300 2HD1 LEU 35 HD12 LEU 35 12.558 -2.110 5.426 301 3HD1 LEU 35 HD13 LEU 35 10.959 -1.391 5.337 302 1HD2 LEU 35 HD21 LEU 35 10.816 -1.094 1.690 303 2HD2 LEU 35 HD22 LEU 35 11.079 0.148 2.917 304 3HD2 LEU 35 HD23 LEU 35 9.848 -1.093 3.163 305 H ILE 36 HN ILE 36 14.349 -4.279 1.887 306 HA ILE 36 HA ILE 36 12.555 -6.090 3.125 307 HB ILE 36 HB ILE 36 14.712 -6.385 1.025 308 1HG1 ILE 36 HG12 ILE 36 11.714 -6.761 0.850 309 2HG1 ILE 36 HG11 ILE 36 12.507 -5.217 0.569 310 1HG2 ILE 36 HG21 ILE 36 13.767 -8.669 0.590 311 2HG2 ILE 36 HG22 ILE 36 12.880 -8.540 2.100 312 3HG2 ILE 36 HG23 ILE 36 14.640 -8.564 2.112 313 1HD1 ILE 36 HD11 ILE 36 13.125 -7.778 -0.932 314 2HD1 ILE 36 HD12 ILE 36 13.828 -6.189 -1.244 315 3HD1 ILE 36 HD13 ILE 36 12.111 -6.468 -1.542 316 H ASN 37 HN ASN 37 16.112 -5.891 3.193 317 HA ASN 37 HA ASN 37 16.334 -8.192 4.983 318 1HB ASN 37 HB2 ASN 37 18.087 -7.791 3.354 319 2HB ASN 37 HB1 ASN 37 18.385 -6.182 4.012 320 1HD2 ASN 37 HD21 ASN 37 20.597 -6.700 4.649 321 2HD2 ASN 37 HD22 ASN 37 20.932 -7.758 5.936 322 H ASN 38 HN ASN 38 16.050 -4.734 5.404 323 HA ASN 38 HA ASN 38 17.173 -4.830 8.126 324 1HB ASN 38 HB2 ASN 38 17.482 -2.818 6.771 325 2HB ASN 38 HB1 ASN 38 15.734 -2.603 6.665 326 1HD2 ASN 38 HD21 ASN 38 16.856 -3.874 9.674 327 2HD2 ASN 38 HD22 ASN 38 16.747 -2.442 10.577 328 H GLU 39 HN GLU 39 13.876 -4.311 6.784 329 HA GLU 39 HA GLU 39 12.793 -4.696 9.564 330 1HB GLU 39 HB2 GLU 39 11.722 -3.412 7.067 331 2HB GLU 39 HB1 GLU 39 10.612 -3.946 8.317 332 1HG GLU 39 HG2 GLU 39 11.327 -1.538 8.514 333 2HG GLU 39 HG1 GLU 39 11.643 -2.511 9.946 334 H LEU 40 HN LEU 40 11.835 -5.605 6.210 335 HA LEU 40 HA LEU 40 10.343 -7.889 7.254 336 1HB LEU 40 HB2 LEU 40 11.161 -7.340 4.396 337 2HB LEU 40 HB1 LEU 40 9.935 -8.462 4.929 338 HG LEU 40 HG LEU 40 8.742 -6.554 4.199 339 1HD1 LEU 40 HD11 LEU 40 8.168 -7.491 6.512 340 2HD1 LEU 40 HD12 LEU 40 7.540 -5.895 6.117 341 3HD1 LEU 40 HD13 LEU 40 8.945 -6.048 7.164 342 1HD2 LEU 40 HD21 LEU 40 10.073 -4.569 5.982 343 2HD2 LEU 40 HD22 LEU 40 9.358 -4.357 4.387 344 3HD2 LEU 40 HD23 LEU 40 10.967 -5.062 4.546 345 H SER 41 HN SER 41 13.116 -7.859 8.060 346 HA SER 41 HA SER 41 14.504 -9.877 6.472 347 1HB SER 41 HB2 SER 41 16.299 -9.251 7.754 348 2HB SER 41 HB1 SER 41 15.250 -8.020 8.445 349 HG SER 41 HG SER 41 15.906 -9.182 10.161 350 H HIS 42 HN HIS 42 12.142 -9.837 8.988 351 HA HIS 42 HA HIS 42 12.657 -12.685 9.705 352 1HB HIS 42 HB2 HIS 42 10.819 -10.585 10.893 353 2HB HIS 42 HB1 HIS 42 10.900 -12.259 11.447 354 HD1 HIS 42 HD1 HIS 42 12.265 -9.065 12.234 355 HD2 HIS 42 HD2 HIS 42 13.846 -12.917 12.068 356 HE1 HIS 42 HE1 HIS 42 14.382 -9.034 13.634 357 HE2 HIS 42 HE2 HIS 42 15.349 -11.378 13.539 358 H PHE 43 HN PHE 43 10.633 -10.694 7.767 359 HA PHE 43 HA PHE 43 8.592 -12.867 7.471 360 1HB PHE 43 HB2 PHE 43 8.586 -9.963 6.589 361 2HB PHE 43 HB1 PHE 43 7.287 -11.110 6.260 362 HD1 PHE 43 HD1 PHE 43 5.808 -11.884 8.014 363 HD2 PHE 43 HD2 PHE 43 9.043 -9.191 8.890 364 HE1 PHE 43 HE1 PHE 43 4.836 -11.438 10.254 365 HE2 PHE 43 HE2 PHE 43 8.070 -8.752 11.125 366 HZ PHE 43 HZ PHE 43 5.965 -9.871 11.806 367 H LEU 44 HN LEU 44 10.414 -10.538 5.451 368 HA LEU 44 HA LEU 44 10.196 -12.377 3.146 369 1HB LEU 44 HB2 LEU 44 11.366 -9.608 3.485 370 2HB LEU 44 HB1 LEU 44 11.501 -10.523 1.987 371 HG LEU 44 HG LEU 44 8.879 -9.792 3.332 372 1HD1 LEU 44 HD11 LEU 44 9.989 -8.662 0.761 373 2HD1 LEU 44 HD12 LEU 44 10.306 -7.897 2.314 374 3HD1 LEU 44 HD13 LEU 44 8.657 -8.048 1.732 375 1HD2 LEU 44 HD21 LEU 44 9.620 -11.382 0.889 376 2HD2 LEU 44 HD22 LEU 44 8.174 -10.380 0.812 377 3HD2 LEU 44 HD23 LEU 44 8.305 -11.635 2.040 378 H GLU 45 HN GLU 45 11.823 -13.751 2.594 379 HA GLU 45 HA GLU 45 14.048 -14.264 4.253 380 1HB GLU 45 HB2 GLU 45 15.004 -15.297 2.070 381 2HB GLU 45 HB1 GLU 45 13.492 -15.946 2.696 382 1HG GLU 45 HG2 GLU 45 12.184 -14.751 1.121 383 2HG GLU 45 HG1 GLU 45 13.530 -13.697 0.680 384 H GLU 46 HN GLU 46 16.152 -13.395 4.299 385 HA GLU 46 HA GLU 46 16.505 -10.732 3.279 386 1HB GLU 46 HB2 GLU 46 18.989 -11.250 3.928 387 2HB GLU 46 HB1 GLU 46 17.769 -11.195 5.202 388 1HG GLU 46 HG2 GLU 46 17.651 -13.560 5.357 389 2HG GLU 46 HG1 GLU 46 18.464 -13.786 3.808 390 H ILE 47 HN ILE 47 16.564 -10.436 1.059 391 HA ILE 47 HA ILE 47 17.702 -12.406 -0.731 392 HB ILE 47 HB ILE 47 17.298 -10.834 -2.504 393 1HG1 ILE 47 HG12 ILE 47 17.139 -8.767 -0.290 394 2HG1 ILE 47 HG11 ILE 47 18.305 -8.826 -1.611 395 1HG2 ILE 47 HG21 ILE 47 14.969 -10.384 -2.216 396 2HG2 ILE 47 HG22 ILE 47 15.134 -10.292 -0.461 397 3HG2 ILE 47 HG23 ILE 47 15.306 -11.845 -1.282 398 1HD1 ILE 47 HD11 ILE 47 16.109 -8.730 -3.113 399 2HD1 ILE 47 HD12 ILE 47 16.817 -7.262 -2.448 400 3HD1 ILE 47 HD13 ILE 47 15.428 -7.997 -1.657 401 H LYS 48 HN LYS 48 19.758 -12.560 -1.510 402 HA LYS 48 HA LYS 48 21.785 -10.631 -0.442 403 1HB LYS 48 HB2 LYS 48 22.064 -13.439 -1.565 404 2HB LYS 48 HB1 LYS 48 23.407 -12.444 -0.999 405 1HG LYS 48 HG2 LYS 48 22.087 -12.264 1.219 406 2HG LYS 48 HG1 LYS 48 21.132 -13.612 0.606 407 1HD LYS 48 HD2 LYS 48 24.124 -13.569 1.071 408 2HD LYS 48 HD1 LYS 48 22.929 -14.499 1.970 409 1HE LYS 48 HE2 LYS 48 23.819 -16.068 0.457 410 2HE LYS 48 HE1 LYS 48 22.326 -15.550 -0.330 411 1HZ LYS 48 HZ1 LYS 48 24.842 -15.462 -1.399 412 2HZ LYS 48 HZ2 LYS 48 24.523 -13.849 -0.972 413 3HZ LYS 48 HZ3 LYS 48 23.466 -14.683 -2.010 414 H GLU 49 HN GLU 49 20.167 -11.701 -3.253 415 HA GLU 49 HA GLU 49 22.074 -10.203 -5.021 416 1HB GLU 49 HB2 GLU 49 20.266 -12.560 -5.653 417 2HB GLU 49 HB1 GLU 49 21.122 -11.617 -6.873 418 1HG GLU 49 HG2 GLU 49 23.274 -12.202 -5.852 419 2HG GLU 49 HG1 GLU 49 22.448 -13.096 -4.579 420 H GLN 50 HN GLN 50 21.169 -8.578 -6.242 421 HA GLN 50 HA GLN 50 18.501 -7.679 -5.488 422 1HB GLN 50 HB2 GLN 50 18.995 -5.857 -7.191 423 2HB GLN 50 HB1 GLN 50 20.167 -5.986 -5.883 424 1HG GLN 50 HG2 GLN 50 21.793 -6.989 -7.253 425 2HG GLN 50 HG1 GLN 50 20.608 -7.512 -8.447 426 1HE2 GLN 50 HE21 GLN 50 19.927 -5.972 -10.060 427 2HE2 GLN 50 HE22 GLN 50 20.688 -4.468 -10.248 428 H GLU 51 HN GLU 51 19.754 -9.756 -7.914 429 HA GLU 51 HA GLU 51 18.190 -9.316 -10.131 430 1HB GLU 51 HB2 GLU 51 19.899 -11.148 -9.833 431 2HB GLU 51 HB1 GLU 51 18.669 -12.061 -8.959 432 1HG GLU 51 HG2 GLU 51 17.179 -11.818 -10.994 433 2HG GLU 51 HG1 GLU 51 18.571 -11.152 -11.848 434 H VAL 52 HN VAL 52 17.116 -10.713 -7.064 435 HA VAL 52 HA VAL 52 14.489 -11.335 -8.189 436 HB VAL 52 HB VAL 52 13.826 -11.834 -5.879 437 1HG1 VAL 52 HG11 VAL 52 15.226 -13.448 -7.231 438 2HG1 VAL 52 HG12 VAL 52 15.339 -13.659 -5.485 439 3HG1 VAL 52 HG13 VAL 52 16.637 -12.844 -6.359 440 1HG2 VAL 52 HG21 VAL 52 14.920 -10.074 -4.652 441 2HG2 VAL 52 HG22 VAL 52 16.510 -10.582 -5.226 442 3HG2 VAL 52 HG23 VAL 52 15.621 -11.594 -4.088 443 H VAL 53 HN VAL 53 15.981 -8.749 -6.342 444 HA VAL 53 HA VAL 53 13.534 -7.278 -6.002 445 HB VAL 53 HB VAL 53 16.170 -7.020 -5.115 446 1HG1 VAL 53 HG11 VAL 53 15.597 -4.503 -6.693 447 2HG1 VAL 53 HG12 VAL 53 16.661 -5.770 -7.295 448 3HG1 VAL 53 HG13 VAL 53 17.066 -4.917 -5.809 449 1HG2 VAL 53 HG21 VAL 53 14.200 -6.347 -3.856 450 2HG2 VAL 53 HG22 VAL 53 13.929 -5.001 -4.958 451 3HG2 VAL 53 HG23 VAL 53 15.350 -5.013 -3.917 452 H ASP 54 HN ASP 54 15.693 -7.867 -8.594 453 HA ASP 54 HA ASP 54 14.805 -5.618 -10.256 454 1HB ASP 54 HB2 ASP 54 17.037 -6.697 -10.574 455 2HB ASP 54 HB1 ASP 54 16.230 -8.195 -11.021 456 H LYS 55 HN LYS 55 13.976 -8.963 -9.653 457 HA LYS 55 HA LYS 55 12.093 -9.160 -11.877 458 1HB LYS 55 HB2 LYS 55 13.152 -11.186 -11.060 459 2HB LYS 55 HB1 LYS 55 12.566 -10.889 -9.427 460 1HG LYS 55 HG2 LYS 55 10.383 -10.935 -11.421 461 2HG LYS 55 HG1 LYS 55 11.277 -12.449 -11.361 462 1HD LYS 55 HD2 LYS 55 10.820 -12.759 -9.043 463 2HD LYS 55 HD1 LYS 55 10.280 -11.091 -8.846 464 1HE LYS 55 HE2 LYS 55 8.450 -12.898 -8.992 465 2HE LYS 55 HE1 LYS 55 8.264 -11.485 -10.029 466 1HZ LYS 55 HZ1 LYS 55 9.130 -12.701 -11.877 467 2HZ LYS 55 HZ2 LYS 55 7.895 -13.633 -11.180 468 3HZ LYS 55 HZ3 LYS 55 9.523 -14.031 -10.901 469 H VAL 56 HN VAL 56 11.704 -9.055 -8.318 470 HA VAL 56 HA VAL 56 8.909 -8.818 -8.228 471 HB VAL 56 HB VAL 56 10.646 -8.877 -6.259 472 1HG1 VAL 56 HG11 VAL 56 11.599 -6.604 -7.009 473 2HG1 VAL 56 HG12 VAL 56 11.280 -6.809 -5.295 474 3HG1 VAL 56 HG13 VAL 56 10.151 -5.896 -6.300 475 1HG2 VAL 56 HG21 VAL 56 8.942 -7.865 -4.737 476 2HG2 VAL 56 HG22 VAL 56 8.226 -8.959 -5.922 477 3HG2 VAL 56 HG23 VAL 56 8.110 -7.216 -6.151 478 H MET 57 HN MET 57 11.346 -6.310 -8.775 479 HA MET 57 HA MET 57 9.561 -4.082 -8.946 480 1HB MET 57 HB2 MET 57 12.235 -4.668 -10.237 481 2HB MET 57 HB1 MET 57 11.403 -3.132 -10.453 482 1HG MET 57 HG2 MET 57 11.815 -4.198 -7.668 483 2HG MET 57 HG1 MET 57 13.149 -3.394 -8.498 484 1HE MET 57 HE1 MET 57 12.599 0.142 -7.878 485 2HE MET 57 HE2 MET 57 13.327 -0.978 -9.029 486 3HE MET 57 HE3 MET 57 13.514 -1.262 -7.296 487 H GLU 58 HN GLU 58 10.359 -6.654 -11.182 488 HA GLU 58 HA GLU 58 9.262 -5.407 -13.538 489 1HB GLU 58 HB2 GLU 58 10.774 -7.489 -13.401 490 2HB GLU 58 HB1 GLU 58 9.307 -8.379 -12.987 491 1HG GLU 58 HG2 GLU 58 9.531 -8.580 -15.358 492 2HG GLU 58 HG1 GLU 58 8.269 -7.378 -15.099 493 H THR 59 HN THR 59 7.942 -7.421 -10.961 494 HA THR 59 HA THR 59 5.296 -7.548 -12.189 495 HB THR 59 HB THR 59 6.143 -8.168 -9.341 496 HG1 THR 59 HG1 THR 59 5.561 -10.194 -11.099 497 1HG2 THR 59 HG21 THR 59 3.774 -7.878 -9.425 498 2HG2 THR 59 HG22 THR 59 4.059 -9.620 -9.487 499 3HG2 THR 59 HG23 THR 59 3.662 -8.737 -10.962 500 H LEU 60 HN LEU 60 6.984 -5.452 -9.931 501 HA LEU 60 HA LEU 60 4.423 -4.047 -9.295 502 1HB LEU 60 HB2 LEU 60 7.135 -4.165 -8.061 503 2HB LEU 60 HB1 LEU 60 6.223 -2.675 -7.839 504 HG LEU 60 HG LEU 60 5.867 -4.312 -6.021 505 1HD1 LEU 60 HD11 LEU 60 3.993 -2.690 -7.112 506 2HD1 LEU 60 HD12 LEU 60 3.654 -3.731 -5.738 507 3HD1 LEU 60 HD13 LEU 60 3.187 -4.243 -7.356 508 1HD2 LEU 60 HD21 LEU 60 4.348 -6.010 -8.000 509 2HD2 LEU 60 HD22 LEU 60 4.849 -6.423 -6.363 510 3HD2 LEU 60 HD23 LEU 60 6.051 -6.304 -7.649 511 H ASP 61 HN ASP 61 7.668 -3.217 -10.762 512 HA ASP 61 HA ASP 61 7.093 -0.493 -11.180 513 1HB ASP 61 HB2 ASP 61 9.274 -1.778 -11.577 514 2HB ASP 61 HB1 ASP 61 8.601 -2.189 -13.154 515 H GLU 62 HN GLU 62 5.127 0.035 -11.909 516 HA GLU 62 HA GLU 62 4.009 -1.306 -14.301 517 1HB GLU 62 HB2 GLU 62 2.941 0.680 -12.295 518 2HB GLU 62 HB1 GLU 62 2.095 0.411 -13.818 519 1HG GLU 62 HG2 GLU 62 1.774 -1.916 -13.328 520 2HG GLU 62 HG1 GLU 62 2.882 -1.846 -11.959 521 H ASP 63 HN ASP 63 5.158 1.855 -13.238 522 HA ASP 63 HA ASP 63 4.780 3.037 -15.876 523 1HB ASP 63 HB2 ASP 63 6.382 4.810 -14.753 524 2HB ASP 63 HB1 ASP 63 4.727 4.646 -14.170 525 H GLY 64 HN GLY 64 6.934 0.774 -14.621 526 1HA GLY 64 HA2 GLY 64 8.984 -0.044 -15.455 527 2HA GLY 64 HA1 GLY 64 8.591 0.807 -16.952 528 H ASP 65 HN ASP 65 9.087 2.126 -13.680 529 HA ASP 65 HA ASP 65 11.077 4.029 -14.859 530 1HB ASP 65 HB2 ASP 65 10.773 5.194 -12.618 531 2HB ASP 65 HB1 ASP 65 9.340 5.146 -13.647 532 H GLY 66 HN GLY 66 11.036 1.117 -13.176 533 1HA GLY 66 HA2 GLY 66 12.814 -0.053 -12.151 534 2HA GLY 66 HA1 GLY 66 13.887 1.240 -12.698 535 H GLU 67 HN GLU 67 11.420 2.709 -11.140 536 HA GLU 67 HA GLU 67 12.790 2.646 -8.462 537 1HB GLU 67 HB2 GLU 67 11.435 4.983 -9.856 538 2HB GLU 67 HB1 GLU 67 12.058 5.012 -8.209 539 1HG GLU 67 HG2 GLU 67 14.327 4.496 -9.071 540 2HG GLU 67 HG1 GLU 67 13.693 4.515 -10.715 541 H CYS 68 HN CYS 68 11.089 3.444 -6.732 542 HA CYS 68 HA CYS 68 8.391 2.302 -7.421 543 1HB CYS 68 HB2 CYS 68 9.718 2.033 -4.722 544 2HB CYS 68 HB1 CYS 68 8.291 1.193 -5.325 545 HG CYS 68 HG CYS 68 10.379 -0.396 -5.564 546 H ASP 69 HN ASP 69 7.504 4.453 -7.684 547 HA ASP 69 HA ASP 69 7.785 6.582 -5.886 548 1HB ASP 69 HB2 ASP 69 5.205 5.797 -7.271 549 2HB ASP 69 HB1 ASP 69 5.681 7.414 -6.758 550 H PHE 70 HN PHE 70 5.490 7.226 -4.562 551 HA PHE 70 HA PHE 70 5.567 5.375 -2.334 552 1HB PHE 70 HB2 PHE 70 3.550 6.946 -1.612 553 2HB PHE 70 HB1 PHE 70 5.204 7.541 -1.599 554 HD1 PHE 70 HD1 PHE 70 2.172 7.340 -3.781 555 HD2 PHE 70 HD2 PHE 70 5.808 9.422 -2.877 556 HE1 PHE 70 HE1 PHE 70 1.568 9.106 -5.412 557 HE2 PHE 70 HE2 PHE 70 5.205 11.189 -4.501 558 HZ PHE 70 HZ PHE 70 3.084 11.036 -5.771 559 H GLN 71 HN GLN 71 3.319 5.887 -5.003 560 HA GLN 71 HA GLN 71 1.218 4.315 -3.789 561 1HB GLN 71 HB2 GLN 71 0.173 4.401 -6.070 562 2HB GLN 71 HB1 GLN 71 0.564 5.973 -5.392 563 1HG GLN 71 HG2 GLN 71 1.381 6.181 -7.567 564 2HG GLN 71 HG1 GLN 71 2.830 5.683 -6.701 565 1HE2 GLN 71 HE21 GLN 71 3.182 5.034 -9.201 566 2HE2 GLN 71 HE22 GLN 71 2.784 3.429 -9.575 567 H GLU 72 HN GLU 72 3.929 3.582 -5.880 568 HA GLU 72 HA GLU 72 2.913 0.843 -6.334 569 1HB GLU 72 HB2 GLU 72 3.966 1.817 -8.221 570 2HB GLU 72 HB1 GLU 72 5.323 2.407 -7.267 571 1HG GLU 72 HG2 GLU 72 6.097 0.094 -6.895 572 2HG GLU 72 HG1 GLU 72 4.693 -0.523 -7.770 573 H PHE 73 HN PHE 73 5.508 2.523 -4.586 574 HA PHE 73 HA PHE 73 6.855 0.245 -3.584 575 1HB PHE 73 HB2 PHE 73 7.880 2.378 -3.225 576 2HB PHE 73 HB1 PHE 73 6.422 3.023 -2.479 577 HD1 PHE 73 HD1 PHE 73 7.371 3.746 -0.435 578 HD2 PHE 73 HD2 PHE 73 7.868 -0.344 -1.670 579 HE1 PHE 73 HE1 PHE 73 8.251 3.169 1.806 580 HE2 PHE 73 HE2 PHE 73 8.748 -0.911 0.573 581 HZ PHE 73 HZ PHE 73 8.946 0.862 2.303 582 H MET 74 HN MET 74 4.018 1.985 -2.451 583 HA MET 74 HA MET 74 3.727 0.351 -0.070 584 1HB MET 74 HB2 MET 74 2.929 2.690 -0.186 585 2HB MET 74 HB1 MET 74 1.772 2.220 -1.426 586 1HG MET 74 HG2 MET 74 0.422 1.083 0.078 587 2HG MET 74 HG1 MET 74 1.753 0.707 1.169 588 1HE MET 74 HE1 MET 74 -0.587 2.714 3.414 589 2HE MET 74 HE2 MET 74 0.019 1.150 2.890 590 3HE MET 74 HE3 MET 74 -1.253 1.942 1.964 591 H ALA 75 HN ALA 75 3.003 0.013 -3.336 592 HA ALA 75 HA ALA 75 0.784 -1.922 -2.955 593 1HB ALA 75 HB1 ALA 75 0.980 -2.320 -5.361 594 2HB ALA 75 HB2 ALA 75 2.486 -1.407 -5.420 595 3HB ALA 75 HB3 ALA 75 0.967 -0.584 -5.066 596 H PHE 76 HN PHE 76 4.212 -1.820 -3.014 597 HA PHE 76 HA PHE 76 4.632 -4.631 -3.588 598 1HB PHE 76 HB2 PHE 76 6.507 -3.237 -3.988 599 2HB PHE 76 HB1 PHE 76 6.375 -2.471 -2.412 600 HD1 PHE 76 HD1 PHE 76 6.398 -6.083 -3.466 601 HD2 PHE 76 HD2 PHE 76 8.281 -2.992 -1.155 602 HE1 PHE 76 HE1 PHE 76 7.961 -7.746 -2.518 603 HE2 PHE 76 HE2 PHE 76 9.848 -4.659 -0.207 604 HZ PHE 76 HZ PHE 76 9.686 -7.038 -0.883 605 H VAL 77 HN VAL 77 4.641 -2.778 -0.497 606 HA VAL 77 HA VAL 77 5.076 -5.041 1.174 607 HB VAL 77 HB VAL 77 3.544 -2.472 1.653 608 1HG1 VAL 77 HG11 VAL 77 4.148 -4.794 3.493 609 2HG1 VAL 77 HG12 VAL 77 2.594 -4.002 3.208 610 3HG1 VAL 77 HG13 VAL 77 3.856 -3.170 4.115 611 1HG2 VAL 77 HG21 VAL 77 5.557 -1.988 3.049 612 2HG2 VAL 77 HG22 VAL 77 5.942 -2.201 1.342 613 3HG2 VAL 77 HG23 VAL 77 6.266 -3.499 2.491 614 H SER 78 HN SER 78 2.244 -3.772 -0.423 615 HA SER 78 HA SER 78 0.265 -5.359 0.882 616 1HB SER 78 HB2 SER 78 -0.047 -4.740 -2.018 617 2HB SER 78 HB1 SER 78 -1.167 -4.448 -0.692 618 HG SER 78 HG SER 78 1.224 -3.069 -0.602 619 H MET 79 HN MET 79 2.403 -5.854 -1.845 620 HA MET 79 HA MET 79 1.349 -8.404 -2.662 621 1HB MET 79 HB2 MET 79 2.809 -6.922 -4.092 622 2HB MET 79 HB1 MET 79 4.155 -7.309 -3.028 623 1HG MET 79 HG2 MET 79 3.347 -9.831 -3.601 624 2HG MET 79 HG1 MET 79 2.816 -9.019 -5.074 625 1HE MET 79 HE1 MET 79 4.232 -9.020 -7.026 626 2HE MET 79 HE2 MET 79 4.443 -10.638 -6.357 627 3HE MET 79 HE3 MET 79 5.835 -9.768 -6.999 628 H VAL 80 HN VAL 80 3.495 -7.268 -0.212 629 HA VAL 80 HA VAL 80 4.547 -9.930 0.439 630 HB VAL 80 HB VAL 80 4.761 -7.336 2.013 631 1HG1 VAL 80 HG11 VAL 80 6.301 -9.940 2.115 632 2HG1 VAL 80 HG12 VAL 80 5.218 -9.314 3.351 633 3HG1 VAL 80 HG13 VAL 80 6.743 -8.488 3.009 634 1HG2 VAL 80 HG21 VAL 80 6.813 -6.873 0.929 635 2HG2 VAL 80 HG22 VAL 80 5.736 -7.351 -0.381 636 3HG2 VAL 80 HG23 VAL 80 6.917 -8.492 0.237 637 H THR 81 HN THR 81 2.186 -7.559 1.506 638 HA THR 81 HA THR 81 1.435 -9.006 3.893 639 HB THR 81 HB THR 81 -0.272 -7.081 2.292 640 HG1 THR 81 HG1 THR 81 1.840 -6.639 4.078 641 1HG2 THR 81 HG21 THR 81 -0.972 -6.539 4.760 642 2HG2 THR 81 HG22 THR 81 -0.331 -8.145 5.100 643 3HG2 THR 81 HG23 THR 81 -1.653 -7.946 3.949 644 H THR 82 HN THR 82 0.341 -8.941 0.471 645 HA THR 82 HA THR 82 -1.987 -10.511 0.915 646 HB THR 82 HB THR 82 -1.767 -10.954 -1.549 647 HG1 THR 82 HG1 THR 82 -0.050 -9.579 -2.480 648 1HG2 THR 82 HG21 THR 82 -3.018 -9.050 -1.277 649 2HG2 THR 82 HG22 THR 82 -1.581 -8.266 -1.934 650 3HG2 THR 82 HG23 THR 82 -1.851 -8.295 -0.196 651 H ALA 83 HN ALA 83 1.392 -11.489 0.132 652 HA ALA 83 HA ALA 83 0.796 -14.247 -0.244 653 1HB ALA 83 HB1 ALA 83 3.010 -13.104 -0.720 654 2HB ALA 83 HB2 ALA 83 3.148 -14.628 0.151 655 3HB ALA 83 HB3 ALA 83 3.307 -13.105 1.018 656 H CYS 84 HN CYS 84 1.168 -12.225 2.590 657 HA CYS 84 HA CYS 84 1.284 -14.460 4.471 658 1HB CYS 84 HB2 CYS 84 0.768 -11.496 4.807 659 2HB CYS 84 HB1 CYS 84 0.790 -12.625 6.159 660 HG CYS 84 HG CYS 84 3.286 -12.873 5.948 661 H HIS 85 HN HIS 85 -1.228 -12.716 2.825 662 HA HIS 85 HA HIS 85 -3.326 -13.603 4.707 663 1HB HIS 85 HB2 HIS 85 -3.341 -11.396 3.369 664 2HB HIS 85 HB1 HIS 85 -3.772 -12.381 1.978 665 HD1 HIS 85 HD1 HIS 85 -4.994 -12.307 5.621 666 HD2 HIS 85 HD2 HIS 85 -6.506 -12.354 1.732 667 HE1 HIS 85 HE1 HIS 85 -7.518 -12.340 5.834 668 H GLU 86 HN GLU 86 -2.087 -14.426 1.482 669 HA GLU 86 HA GLU 86 -4.186 -16.405 1.023 670 1HB GLU 86 HB2 GLU 86 -3.114 -16.851 -1.039 671 2HB GLU 86 HB1 GLU 86 -2.821 -15.136 -0.769 672 1HG GLU 86 HG2 GLU 86 -0.667 -15.806 -1.310 673 2HG GLU 86 HG1 GLU 86 -0.613 -16.055 0.433 674 H PHE 87 HN PHE 87 -1.062 -16.338 2.547 675 HA PHE 87 HA PHE 87 -0.442 -19.133 2.449 676 1HB PHE 87 HB2 PHE 87 1.214 -17.445 3.109 677 2HB PHE 87 HB1 PHE 87 0.259 -17.046 4.536 678 HD1 PHE 87 HD1 PHE 87 0.250 -18.473 6.490 679 HD2 PHE 87 HD2 PHE 87 2.331 -19.650 2.918 680 HE1 PHE 87 HE1 PHE 87 1.380 -20.294 7.748 681 HE2 PHE 87 HE2 PHE 87 3.460 -21.465 4.169 682 HZ PHE 87 HZ PHE 87 2.986 -21.788 6.586 683 H PHE 88 HN PHE 88 -1.920 -17.226 5.118 684 HA PHE 88 HA PHE 88 -2.608 -19.585 6.639 685 1HB PHE 88 HB2 PHE 88 -2.407 -17.204 7.543 686 2HB PHE 88 HB1 PHE 88 -3.985 -16.896 6.815 687 HD1 PHE 88 HD1 PHE 88 -2.222 -19.241 9.140 688 HD2 PHE 88 HD2 PHE 88 -5.966 -17.491 7.956 689 HE1 PHE 88 HE1 PHE 88 -3.345 -20.294 11.088 690 HE2 PHE 88 HE2 PHE 88 -7.078 -18.542 9.903 691 HZ PHE 88 HZ PHE 88 -5.771 -19.943 11.467 692 H GLU 89 HN GLU 89 -4.311 -17.647 4.231 693 HA GLU 89 HA GLU 89 -6.800 -19.197 4.577 694 1HB GLU 89 HB2 GLU 89 -6.017 -17.052 2.580 695 2HB GLU 89 HB1 GLU 89 -7.633 -17.741 2.736 696 1HG GLU 89 HG2 GLU 89 -7.781 -16.910 5.043 697 2HG GLU 89 HG1 GLU 89 -6.140 -16.274 4.930 698 H HIS 90 HN HIS 90 -3.929 -19.941 3.230 699 HA HIS 90 HA HIS 90 -4.428 -20.719 0.575 700 1HB HIS 90 HB2 HIS 90 -2.208 -20.890 1.661 701 2HB HIS 90 HB1 HIS 90 -2.799 -22.235 2.640 702 HD1 HIS 90 HD1 HIS 90 -4.120 -24.112 0.867 703 HD2 HIS 90 HD2 HIS 90 -0.846 -21.921 -0.501 704 HE1 HIS 90 HE1 HIS 90 -3.205 -25.364 -1.139 705 HE2 HIS 90 HE2 HIS 90 -1.215 -24.036 -1.981 706 H GLU 91 HN GLU 91 -6.428 -21.647 0.164 707 HA GLU 91 HA GLU 91 -7.645 -23.659 1.829 708 1HB GLU 91 HB2 GLU 91 -8.912 -22.214 0.245 709 2HB GLU 91 HB1 GLU 91 -8.148 -23.054 -1.103 710 1HG GLU 91 HG2 GLU 91 -9.165 -25.158 -0.450 711 2HG GLU 91 HG1 GLU 91 -9.785 -24.443 1.040 712 1H MET 0 HT1 MET 0 8.913 -1.607 18.052 713 2H MET 0 HT2 MET 0 8.055 -1.808 16.599 714 3H MET 0 HT3 MET 0 9.008 -0.421 16.843 715 HA MET 0 HA MET 0 10.996 -1.560 16.602 716 1HB MET 0 HB2 MET 0 10.381 -3.386 18.168 717 2HB MET 0 HB1 MET 0 9.386 -4.118 16.903 718 1HG MET 0 HG2 MET 0 11.341 -4.440 15.485 719 2HG MET 0 HG1 MET 0 12.356 -3.572 16.634 720 1HE MET 0 HE1 MET 0 9.845 -6.415 16.221 721 2HE MET 0 HE2 MET 0 10.728 -7.810 16.836 722 3HE MET 0 HE3 MET 0 11.328 -6.955 15.418 723 H SER 1 HN SER 1 8.826 -3.989 15.201 724 HA SER 1 HA SER 1 9.765 -3.221 12.510 725 1HB SER 1 HB2 SER 1 8.232 -5.194 11.861 726 2HB SER 1 HB1 SER 1 9.675 -5.563 12.803 727 HG SER 1 HG SER 1 8.088 -6.550 13.911 728 H GLU 2 HN GLU 2 8.747 -1.153 12.427 729 HA GLU 2 HA GLU 2 5.985 -0.601 12.797 730 1HB GLU 2 HB2 GLU 2 7.994 0.625 10.889 731 2HB GLU 2 HB1 GLU 2 6.344 1.229 11.061 732 1HG GLU 2 HG2 GLU 2 6.688 1.677 13.412 733 2HG GLU 2 HG1 GLU 2 8.270 0.898 13.371 734 H LEU 3 HN LEU 3 7.632 -2.370 10.327 735 HA LEU 3 HA LEU 3 5.538 -2.196 8.336 736 1HB LEU 3 HB2 LEU 3 8.189 -3.309 8.603 737 2HB LEU 3 HB1 LEU 3 7.127 -4.551 7.960 738 HG LEU 3 HG LEU 3 8.138 -3.283 6.145 739 1HD1 LEU 3 HD11 LEU 3 6.238 -3.275 4.885 740 2HD1 LEU 3 HD12 LEU 3 5.397 -2.160 5.964 741 3HD1 LEU 3 HD13 LEU 3 5.460 -3.877 6.346 742 1HD2 LEU 3 HD21 LEU 3 6.695 -0.773 6.983 743 2HD2 LEU 3 HD22 LEU 3 8.105 -0.952 5.941 744 3HD2 LEU 3 HD23 LEU 3 8.272 -1.144 7.682 745 H GLU 4 HN GLU 4 6.114 -4.261 11.122 746 HA GLU 4 HA GLU 4 4.275 -6.345 10.239 747 1HB GLU 4 HB2 GLU 4 6.016 -6.933 11.846 748 2HB GLU 4 HB1 GLU 4 5.430 -5.709 12.975 749 1HG GLU 4 HG2 GLU 4 3.391 -6.905 13.363 750 2HG GLU 4 HG1 GLU 4 3.688 -7.989 12.001 751 H LYS 5 HN LYS 5 4.052 -3.267 11.752 752 HA LYS 5 HA LYS 5 1.469 -3.694 13.023 753 1HB LYS 5 HB2 LYS 5 2.473 -0.969 12.185 754 2HB LYS 5 HB1 LYS 5 1.535 -1.409 13.610 755 1HG LYS 5 HG2 LYS 5 4.410 -2.262 13.169 756 2HG LYS 5 HG1 LYS 5 3.968 -0.807 14.035 757 1HD LYS 5 HD2 LYS 5 3.222 -1.956 15.889 758 2HD LYS 5 HD1 LYS 5 2.638 -3.326 14.948 759 1HE LYS 5 HE2 LYS 5 4.960 -4.056 14.553 760 2HE LYS 5 HE1 LYS 5 5.547 -2.698 15.516 761 1HZ LYS 5 HZ1 LYS 5 3.920 -5.002 16.445 762 2HZ LYS 5 HZ2 LYS 5 4.155 -3.606 17.381 763 3HZ LYS 5 HZ3 LYS 5 5.483 -4.571 16.944 764 H ALA 6 HN ALA 6 2.533 -1.990 10.073 765 HA ALA 6 HA ALA 6 -0.097 -1.339 9.185 766 1HB ALA 6 HB1 ALA 6 0.954 -1.010 6.956 767 2HB ALA 6 HB2 ALA 6 2.426 -1.760 7.572 768 3HB ALA 6 HB3 ALA 6 1.868 -0.236 8.249 769 H MET 7 HN MET 7 2.013 -3.995 8.055 770 HA MET 7 HA MET 7 0.177 -5.139 6.282 771 1HB MET 7 HB2 MET 7 2.213 -6.543 8.041 772 2HB MET 7 HB1 MET 7 1.336 -7.328 6.732 773 1HG MET 7 HG2 MET 7 2.305 -5.204 5.356 774 2HG MET 7 HG1 MET 7 3.561 -5.340 6.588 775 1HE MET 7 HE1 MET 7 5.402 -6.721 6.502 776 2HE MET 7 HE2 MET 7 5.555 -6.105 4.856 777 3HE MET 7 HE3 MET 7 5.824 -7.816 5.182 778 H VAL 8 HN VAL 8 0.339 -5.532 9.817 779 HA VAL 8 HA VAL 8 -1.726 -7.600 9.815 780 HB VAL 8 HB VAL 8 -0.564 -5.884 12.027 781 1HG1 VAL 8 HG11 VAL 8 -1.662 -7.733 13.478 782 2HG1 VAL 8 HG12 VAL 8 -2.671 -8.046 12.067 783 3HG1 VAL 8 HG13 VAL 8 -2.704 -6.463 12.843 784 1HG2 VAL 8 HG21 VAL 8 0.827 -7.687 10.804 785 2HG2 VAL 8 HG22 VAL 8 -0.241 -8.857 11.580 786 3HG2 VAL 8 HG23 VAL 8 0.753 -7.781 12.564 787 H ALA 9 HN ALA 9 -1.647 -4.126 10.452 788 HA ALA 9 HA ALA 9 -4.385 -3.848 11.210 789 1HB ALA 9 HB1 ALA 9 -2.647 -1.830 9.765 790 2HB ALA 9 HB2 ALA 9 -2.666 -2.074 11.516 791 3HB ALA 9 HB3 ALA 9 -4.104 -1.479 10.690 792 H LEU 10 HN LEU 10 -2.837 -3.954 8.016 793 HA LEU 10 HA LEU 10 -5.297 -3.143 6.656 794 1HB LEU 10 HB2 LEU 10 -2.541 -3.958 5.850 795 2HB LEU 10 HB1 LEU 10 -3.805 -4.289 4.667 796 HG LEU 10 HG LEU 10 -4.536 -1.906 4.833 797 1HD1 LEU 10 HD11 LEU 10 -3.689 -1.469 7.113 798 2HD1 LEU 10 HD12 LEU 10 -3.048 -0.295 5.965 799 3HD1 LEU 10 HD13 LEU 10 -2.033 -1.625 6.528 800 1HD2 LEU 10 HD21 LEU 10 -3.076 -2.463 3.023 801 2HD2 LEU 10 HD22 LEU 10 -1.668 -2.521 4.089 802 3HD2 LEU 10 HD23 LEU 10 -2.440 -0.976 3.727 803 H ILE 11 HN ILE 11 -3.626 -6.269 7.134 804 HA ILE 11 HA ILE 11 -5.200 -7.954 5.625 805 HB ILE 11 HB ILE 11 -4.061 -8.362 8.399 806 1HG1 ILE 11 HG12 ILE 11 -2.662 -8.038 6.167 807 2HG1 ILE 11 HG11 ILE 11 -2.198 -9.279 7.325 808 1HG2 ILE 11 HG21 ILE 11 -5.547 -10.294 6.615 809 2HG2 ILE 11 HG22 ILE 11 -5.796 -9.971 8.334 810 3HG2 ILE 11 HG23 ILE 11 -4.366 -10.855 7.801 811 1HD1 ILE 11 HD11 ILE 11 -2.283 -9.995 4.880 812 2HD1 ILE 11 HD12 ILE 11 -4.036 -9.855 4.990 813 3HD1 ILE 11 HD13 ILE 11 -3.181 -11.011 6.005 814 H ASP 12 HN ASP 12 -6.041 -6.518 8.775 815 HA ASP 12 HA ASP 12 -8.521 -8.004 9.002 816 1HB ASP 12 HB2 ASP 12 -7.630 -5.444 10.362 817 2HB ASP 12 HB1 ASP 12 -9.021 -6.421 10.842 818 H VAL 13 HN VAL 13 -7.842 -4.580 8.139 819 HA VAL 13 HA VAL 13 -10.605 -4.094 7.407 820 HB VAL 13 HB VAL 13 -8.220 -2.480 6.450 821 1HG1 VAL 13 HG11 VAL 13 -10.547 -1.994 5.587 822 2HG1 VAL 13 HG12 VAL 13 -9.797 -0.653 6.451 823 3HG1 VAL 13 HG13 VAL 13 -11.019 -1.638 7.249 824 1HG2 VAL 13 HG21 VAL 13 -8.437 -1.203 8.556 825 2HG2 VAL 13 HG22 VAL 13 -7.992 -2.876 8.881 826 3HG2 VAL 13 HG23 VAL 13 -9.655 -2.341 9.124 827 H PHE 14 HN PHE 14 -7.789 -5.350 5.809 828 HA PHE 14 HA PHE 14 -8.764 -4.970 3.091 829 1HB PHE 14 HB2 PHE 14 -6.405 -5.307 3.385 830 2HB PHE 14 HB1 PHE 14 -6.674 -6.798 4.289 831 HD1 PHE 14 HD1 PHE 14 -7.769 -5.357 1.002 832 HD2 PHE 14 HD2 PHE 14 -6.210 -8.766 3.102 833 HE1 PHE 14 HE1 PHE 14 -7.696 -6.631 -1.124 834 HE2 PHE 14 HE2 PHE 14 -6.143 -10.042 0.970 835 HZ PHE 14 HZ PHE 14 -6.874 -8.966 -1.138 836 H HIS 15 HN HIS 15 -8.712 -7.807 5.279 837 HA HIS 15 HA HIS 15 -10.279 -9.399 3.418 838 1HB HIS 15 HB2 HIS 15 -8.574 -10.175 5.248 839 2HB HIS 15 HB1 HIS 15 -9.949 -10.063 6.341 840 HD1 HIS 15 HD1 HIS 15 -10.482 -12.499 6.693 841 HD2 HIS 15 HD2 HIS 15 -10.129 -11.552 2.647 842 HE1 HIS 15 HE1 HIS 15 -11.212 -14.553 5.403 843 H GLN 16 HN GLN 16 -11.027 -7.391 6.224 844 HA GLN 16 HA GLN 16 -13.679 -8.422 6.652 845 1HB GLN 16 HB2 GLN 16 -12.343 -5.801 7.333 846 2HB GLN 16 HB1 GLN 16 -14.019 -6.137 7.770 847 1HG GLN 16 HG2 GLN 16 -11.800 -8.066 8.474 848 2HG GLN 16 HG1 GLN 16 -12.194 -6.698 9.521 849 1HE2 GLN 16 HE21 GLN 16 -12.726 -9.869 9.487 850 2HE2 GLN 16 HE22 GLN 16 -14.331 -9.945 10.032 851 H TYR 17 HN TYR 17 -12.441 -5.770 4.624 852 HA TYR 17 HA TYR 17 -15.147 -5.071 3.724 853 1HB TYR 17 HB2 TYR 17 -12.363 -4.118 3.092 854 2HB TYR 17 HB1 TYR 17 -13.660 -3.749 1.961 855 HD1 TYR 17 HD1 TYR 17 -15.355 -2.135 2.473 856 HD2 TYR 17 HD2 TYR 17 -12.553 -3.375 5.488 857 HE1 TYR 17 HE1 TYR 17 -16.129 -0.308 3.956 858 HE2 TYR 17 HE2 TYR 17 -13.341 -1.548 6.966 859 HH TYR 17 HH TYR 17 -16.177 0.259 6.291 860 H SER 18 HN SER 18 -12.280 -6.558 2.142 861 HA SER 18 HA SER 18 -13.623 -7.188 -0.273 862 1HB SER 18 HB2 SER 18 -11.536 -8.920 1.084 863 2HB SER 18 HB1 SER 18 -11.939 -8.889 -0.627 864 HG SER 18 HG SER 18 -10.526 -7.361 -0.784 865 H GLY 19 HN GLY 19 -13.724 -8.594 2.912 866 1HA GLY 19 HA2 GLY 19 -15.245 -10.958 2.015 867 2HA GLY 19 HA1 GLY 19 -14.783 -10.591 3.675 868 H ARG 20 HN ARG 20 -16.024 -7.768 2.409 869 HA ARG 20 HA ARG 20 -18.418 -7.940 3.997 870 1HB ARG 20 HB2 ARG 20 -17.322 -5.786 3.512 871 2HB ARG 20 HB1 ARG 20 -17.684 -5.979 1.798 872 1HG ARG 20 HG2 ARG 20 -20.127 -6.016 2.374 873 2HG ARG 20 HG1 ARG 20 -19.697 -5.698 4.057 874 1HD ARG 20 HD2 ARG 20 -18.416 -3.646 3.127 875 2HD ARG 20 HD1 ARG 20 -19.343 -3.906 1.654 876 HE ARG 20 HE ARG 20 -21.012 -3.810 4.043 877 1HH1 ARG 20 HH21 ARG 20 -19.337 -2.050 1.597 878 2HH1 ARG 20 HH22 ARG 20 -20.406 -0.687 1.655 879 1HH2 ARG 20 HH11 ARG 20 -22.420 -2.029 4.141 880 2HH2 ARG 20 HH12 ARG 20 -22.148 -0.674 3.093 881 H GLU 21 HN GLU 21 -17.865 -7.963 0.469 882 HA GLU 21 HA GLU 21 -20.130 -9.806 0.140 883 1HB GLU 21 HB2 GLU 21 -21.498 -8.363 -1.241 884 2HB GLU 21 HB1 GLU 21 -21.222 -7.557 0.303 885 1HG GLU 21 HG2 GLU 21 -19.213 -6.421 -0.854 886 2HG GLU 21 HG1 GLU 21 -19.928 -6.982 -2.365 887 H GLY 22 HN GLY 22 -20.285 -10.663 -1.998 888 1HA GLY 22 HA2 GLY 22 -19.419 -11.428 -4.029 889 2HA GLY 22 HA1 GLY 22 -18.716 -9.823 -4.218 890 H ASP 23 HN ASP 23 -16.657 -10.237 -4.829 891 HA ASP 23 HA ASP 23 -14.983 -12.358 -4.397 892 1HB ASP 23 HB2 ASP 23 -14.376 -9.402 -4.423 893 2HB ASP 23 HB1 ASP 23 -13.091 -10.608 -4.336 894 H LYS 24 HN LYS 24 -13.261 -12.792 -2.842 895 HA LYS 24 HA LYS 24 -14.060 -12.048 -0.066 896 1HB LYS 24 HB2 LYS 24 -13.591 -14.501 -1.101 897 2HB LYS 24 HB1 LYS 24 -11.950 -14.116 -0.588 898 1HG LYS 24 HG2 LYS 24 -13.061 -13.441 1.674 899 2HG LYS 24 HG1 LYS 24 -14.451 -14.358 1.088 900 1HD LYS 24 HD2 LYS 24 -12.819 -16.279 0.648 901 2HD LYS 24 HD1 LYS 24 -11.645 -15.365 1.599 902 1HE LYS 24 HE2 LYS 24 -14.383 -16.226 2.583 903 2HE LYS 24 HE1 LYS 24 -12.866 -17.023 2.980 904 1HZ LYS 24 HZ1 LYS 24 -12.305 -14.483 3.598 905 2HZ LYS 24 HZ2 LYS 24 -12.872 -15.631 4.709 906 3HZ LYS 24 HZ3 LYS 24 -13.953 -14.538 3.987 907 H HIS 25 HN HIS 25 -11.462 -11.609 -2.397 908 HA HIS 25 HA HIS 25 -9.963 -10.049 -0.319 909 1HB HIS 25 HB2 HIS 25 -8.524 -11.677 -2.405 910 2HB HIS 25 HB1 HIS 25 -7.901 -11.019 -0.896 911 HD2 HIS 25 HD2 HIS 25 -9.464 -14.285 -2.193 912 HE1 HIS 25 HE1 HIS 25 -9.504 -14.527 2.020 913 HE2 HIS 25 HE2 HIS 25 -9.842 -15.828 -0.121 914 H LYS 26 HN LYS 26 -11.785 -9.168 -2.445 915 HA LYS 26 HA LYS 26 -9.885 -7.344 -3.843 916 1HB LYS 26 HB2 LYS 26 -10.778 -9.209 -5.370 917 2HB LYS 26 HB1 LYS 26 -12.368 -8.477 -5.155 918 1HG LYS 26 HG2 LYS 26 -11.891 -6.971 -6.794 919 2HG LYS 26 HG1 LYS 26 -10.574 -6.329 -5.820 920 1HD LYS 26 HD2 LYS 26 -9.679 -7.018 -7.963 921 2HD LYS 26 HD1 LYS 26 -9.089 -8.133 -6.739 922 1HE LYS 26 HE2 LYS 26 -11.546 -9.242 -7.628 923 2HE LYS 26 HE1 LYS 26 -10.693 -8.726 -9.085 924 1HZ LYS 26 HZ1 LYS 26 -9.225 -10.172 -6.991 925 2HZ LYS 26 HZ2 LYS 26 -8.934 -10.106 -8.660 926 3HZ LYS 26 HZ3 LYS 26 -10.223 -11.038 -8.055 927 H LEU 27 HN LEU 27 -10.750 -5.227 -4.050 928 HA LEU 27 HA LEU 27 -13.134 -4.766 -2.311 929 1HB LEU 27 HB2 LEU 27 -10.795 -3.049 -3.112 930 2HB LEU 27 HB1 LEU 27 -12.288 -2.293 -2.565 931 HG LEU 27 HG LEU 27 -12.110 -3.916 -0.515 932 1HD1 LEU 27 HD11 LEU 27 -10.391 -5.394 -1.253 933 2HD1 LEU 27 HD12 LEU 27 -9.675 -4.401 0.009 934 3HD1 LEU 27 HD13 LEU 27 -9.332 -4.059 -1.687 935 1HD2 LEU 27 HD21 LEU 27 -11.764 -1.436 -0.495 936 2HD2 LEU 27 HD22 LEU 27 -10.062 -1.739 -0.798 937 3HD2 LEU 27 HD23 LEU 27 -10.797 -2.310 0.695 938 H LYS 28 HN LYS 28 -14.867 -3.906 -2.968 939 HA LYS 28 HA LYS 28 -15.224 -3.208 -5.874 940 1HB LYS 28 HB2 LYS 28 -17.434 -3.858 -3.910 941 2HB LYS 28 HB1 LYS 28 -17.509 -3.839 -5.673 942 1HG LYS 28 HG2 LYS 28 -15.689 -5.669 -5.591 943 2HG LYS 28 HG1 LYS 28 -16.111 -5.834 -3.884 944 1HD LYS 28 HD2 LYS 28 -18.368 -6.441 -4.405 945 2HD LYS 28 HD1 LYS 28 -18.173 -5.994 -6.097 946 1HE LYS 28 HE2 LYS 28 -16.894 -8.321 -4.652 947 2HE LYS 28 HE1 LYS 28 -18.034 -8.389 -5.997 948 1HZ LYS 28 HZ1 LYS 28 -16.174 -6.952 -7.142 949 2HZ LYS 28 HZ2 LYS 28 -16.069 -8.649 -7.107 950 3HZ LYS 28 HZ3 LYS 28 -15.184 -7.715 -5.999 951 H LYS 29 HN LYS 29 -16.620 -1.300 -6.297 952 HA LYS 29 HA LYS 29 -15.899 1.028 -4.972 953 1HB LYS 29 HB2 LYS 29 -18.586 0.415 -6.236 954 2HB LYS 29 HB1 LYS 29 -18.045 2.028 -5.784 955 1HG LYS 29 HG2 LYS 29 -15.928 1.411 -7.262 956 2HG LYS 29 HG1 LYS 29 -17.026 0.230 -7.976 957 1HD LYS 29 HD2 LYS 29 -17.598 3.202 -7.746 958 2HD LYS 29 HD1 LYS 29 -17.015 2.399 -9.204 959 1HE LYS 29 HE2 LYS 29 -19.656 1.948 -7.792 960 2HE LYS 29 HE1 LYS 29 -19.399 2.578 -9.420 961 1HZ LYS 29 HZ1 LYS 29 -19.989 0.308 -9.620 962 2HZ LYS 29 HZ2 LYS 29 -18.859 -0.169 -8.448 963 3HZ LYS 29 HZ3 LYS 29 -18.331 0.408 -9.955 964 H SER 30 HN SER 30 -18.804 -0.907 -4.251 965 HA SER 30 HA SER 30 -19.833 0.558 -2.103 966 1HB SER 30 HB2 SER 30 -19.629 -2.458 -2.035 967 2HB SER 30 HB1 SER 30 -20.895 -1.442 -1.356 968 HG SER 30 HG SER 30 -21.178 -2.547 -3.538 969 H GLU 31 HN GLU 31 -16.823 -1.029 -2.309 970 HA GLU 31 HA GLU 31 -16.436 -1.042 0.666 971 1HB GLU 31 HB2 GLU 31 -14.550 -2.072 -1.467 972 2HB GLU 31 HB1 GLU 31 -14.489 -2.396 0.263 973 1HG GLU 31 HG2 GLU 31 -16.803 -3.427 0.034 974 2HG GLU 31 HG1 GLU 31 -16.585 -3.331 -1.713 975 H LEU 32 HN LEU 32 -15.179 0.373 -2.327 976 HA LEU 32 HA LEU 32 -13.106 1.839 -0.966 977 1HB LEU 32 HB2 LEU 32 -13.577 1.303 -3.593 978 2HB LEU 32 HB1 LEU 32 -14.199 2.947 -3.522 979 HG LEU 32 HG LEU 32 -11.441 2.094 -2.588 980 1HD1 LEU 32 HD11 LEU 32 -12.418 3.368 -5.150 981 2HD1 LEU 32 HD12 LEU 32 -11.392 1.952 -4.961 982 3HD1 LEU 32 HD13 LEU 32 -10.757 3.557 -4.597 983 1HD2 LEU 32 HD21 LEU 32 -12.838 4.766 -2.802 984 2HD2 LEU 32 HD22 LEU 32 -11.096 4.604 -2.598 985 3HD2 LEU 32 HD23 LEU 32 -12.191 4.006 -1.351 986 H LYS 33 HN LYS 33 -16.294 2.857 -2.178 987 HA LYS 33 HA LYS 33 -16.032 5.477 -1.008 988 1HB LYS 33 HB2 LYS 33 -17.536 5.210 -2.843 989 2HB LYS 33 HB1 LYS 33 -18.390 3.886 -2.050 990 1HG LYS 33 HG2 LYS 33 -18.319 6.481 -0.554 991 2HG LYS 33 HG1 LYS 33 -19.287 6.473 -2.023 992 1HD LYS 33 HD2 LYS 33 -20.796 4.904 -1.201 993 2HD LYS 33 HD1 LYS 33 -19.619 4.167 -0.122 994 1HE LYS 33 HE2 LYS 33 -19.810 5.903 1.463 995 2HE LYS 33 HE1 LYS 33 -20.631 6.973 0.322 996 1HZ LYS 33 HZ1 LYS 33 -21.671 4.597 1.719 997 2HZ LYS 33 HZ2 LYS 33 -22.366 5.092 0.248 998 3HZ LYS 33 HZ3 LYS 33 -22.362 6.141 1.581 999 H GLU 34 HN GLU 34 -17.400 2.419 0.113 1000 HA GLU 34 HA GLU 34 -18.505 3.613 2.548 1001 1HB GLU 34 HB2 GLU 34 -19.335 1.457 1.501 1002 2HB GLU 34 HB1 GLU 34 -17.887 0.684 2.143 1003 1HG GLU 34 HG2 GLU 34 -19.540 0.314 3.805 1004 2HG GLU 34 HG1 GLU 34 -18.594 1.668 4.426 1005 H LEU 35 HN LEU 35 -15.470 2.106 1.668 1006 HA LEU 35 HA LEU 35 -14.524 1.781 4.378 1007 1HB LEU 35 HB2 LEU 35 -13.432 0.522 2.612 1008 2HB LEU 35 HB1 LEU 35 -13.110 2.002 1.701 1009 HG LEU 35 HG LEU 35 -11.533 2.778 3.368 1010 1HD1 LEU 35 HD11 LEU 35 -12.451 0.327 4.896 1011 2HD1 LEU 35 HD12 LEU 35 -12.521 2.009 5.411 1012 3HD1 LEU 35 HD13 LEU 35 -10.967 1.202 5.289 1013 1HD2 LEU 35 HD21 LEU 35 -9.821 1.102 3.119 1014 2HD2 LEU 35 HD22 LEU 35 -10.783 1.123 1.644 1015 3HD2 LEU 35 HD23 LEU 35 -11.028 -0.152 2.841 1016 H ILE 36 HN ILE 36 -14.328 4.261 1.915 1017 HA ILE 36 HA ILE 36 -12.556 6.041 3.212 1018 HB ILE 36 HB ILE 36 -14.697 6.396 1.118 1019 1HG1 ILE 36 HG12 ILE 36 -11.689 6.726 0.998 1020 2HG1 ILE 36 HG11 ILE 36 -12.514 5.224 0.625 1021 1HG2 ILE 36 HG21 ILE 36 -13.564 8.703 0.798 1022 2HG2 ILE 36 HG22 ILE 36 -12.986 8.489 2.449 1023 3HG2 ILE 36 HG23 ILE 36 -14.716 8.535 2.124 1024 1HD1 ILE 36 HD11 ILE 36 -13.705 6.259 -1.215 1025 2HD1 ILE 36 HD12 ILE 36 -11.996 6.639 -1.396 1026 3HD1 ILE 36 HD13 ILE 36 -13.105 7.852 -0.761 1027 H ASN 37 HN ASN 37 -16.115 5.864 3.251 1028 HA ASN 37 HA ASN 37 -16.338 8.108 5.109 1029 1HB ASN 37 HB2 ASN 37 -18.086 7.736 3.464 1030 2HB ASN 37 HB1 ASN 37 -18.377 6.116 4.088 1031 1HD2 ASN 37 HD21 ASN 37 -20.592 6.612 4.721 1032 2HD2 ASN 37 HD22 ASN 37 -20.933 7.640 6.031 1033 H ASN 38 HN ASN 38 -16.063 4.636 5.434 1034 HA ASN 38 HA ASN 38 -17.208 4.646 8.145 1035 1HB ASN 38 HB2 ASN 38 -17.480 2.674 6.722 1036 2HB ASN 38 HB1 ASN 38 -15.732 2.480 6.631 1037 1HD2 ASN 38 HD21 ASN 38 -16.955 3.606 9.676 1038 2HD2 ASN 38 HD22 ASN 38 -16.810 2.138 10.514 1039 H GLU 39 HN GLU 39 -13.892 4.188 6.815 1040 HA GLU 39 HA GLU 39 -12.839 4.498 9.613 1041 1HB GLU 39 HB2 GLU 39 -11.754 3.254 7.105 1042 2HB GLU 39 HB1 GLU 39 -10.645 3.777 8.367 1043 1HG GLU 39 HG2 GLU 39 -11.339 1.375 8.554 1044 2HG GLU 39 HG1 GLU 39 -11.710 2.337 9.985 1045 H LEU 40 HN LEU 40 -11.853 5.480 6.297 1046 HA LEU 40 HA LEU 40 -10.351 7.729 7.396 1047 1HB LEU 40 HB2 LEU 40 -11.190 7.243 4.536 1048 2HB LEU 40 HB1 LEU 40 -9.965 8.358 5.079 1049 HG LEU 40 HG LEU 40 -8.764 6.471 4.302 1050 1HD1 LEU 40 HD11 LEU 40 -8.949 5.915 7.260 1051 2HD1 LEU 40 HD12 LEU 40 -8.159 7.353 6.615 1052 3HD1 LEU 40 HD13 LEU 40 -7.551 5.752 6.201 1053 1HD2 LEU 40 HD21 LEU 40 -9.347 4.257 4.488 1054 2HD2 LEU 40 HD22 LEU 40 -10.959 4.961 4.577 1055 3HD2 LEU 40 HD23 LEU 40 -10.126 4.465 6.055 1056 H SER 41 HN SER 41 -13.140 7.680 8.187 1057 HA SER 41 HA SER 41 -14.508 9.751 6.648 1058 1HB SER 41 HB2 SER 41 -16.316 9.111 7.899 1059 2HB SER 41 HB1 SER 41 -15.283 7.830 8.524 1060 HG SER 41 HG SER 41 -16.025 10.278 9.660 1061 H HIS 42 HN HIS 42 -12.169 9.630 9.181 1062 HA HIS 42 HA HIS 42 -12.700 12.449 9.990 1063 1HB HIS 42 HB2 HIS 42 -10.870 10.299 11.103 1064 2HB HIS 42 HB1 HIS 42 -10.922 11.953 11.716 1065 HD1 HIS 42 HD1 HIS 42 -12.309 8.768 12.453 1066 HD2 HIS 42 HD2 HIS 42 -13.911 12.619 12.265 1067 HE1 HIS 42 HE1 HIS 42 -14.460 8.720 13.799 1068 HE2 HIS 42 HE2 HIS 42 -15.437 11.058 13.693 1069 H PHE 43 HN PHE 43 -10.628 10.513 8.028 1070 HA PHE 43 HA PHE 43 -8.615 12.716 7.779 1071 1HB PHE 43 HB2 PHE 43 -8.576 9.844 6.793 1072 2HB PHE 43 HB1 PHE 43 -7.289 11.018 6.536 1073 HD1 PHE 43 HD1 PHE 43 -5.843 11.736 8.341 1074 HD2 PHE 43 HD2 PHE 43 -9.054 8.978 9.058 1075 HE1 PHE 43 HE1 PHE 43 -4.886 11.201 10.561 1076 HE2 PHE 43 HE2 PHE 43 -8.094 8.446 11.279 1077 HZ PHE 43 HZ PHE 43 -6.015 9.558 12.030 1078 H LEU 44 HN LEU 44 -10.438 10.433 5.690 1079 HA LEU 44 HA LEU 44 -10.189 12.337 3.436 1080 1HB LEU 44 HB2 LEU 44 -11.366 9.568 3.680 1081 2HB LEU 44 HB1 LEU 44 -11.482 10.525 2.208 1082 HG LEU 44 HG LEU 44 -8.876 9.726 3.552 1083 1HD1 LEU 44 HD11 LEU 44 -9.987 8.689 0.937 1084 2HD1 LEU 44 HD12 LEU 44 -10.307 7.880 2.471 1085 3HD1 LEU 44 HD13 LEU 44 -8.659 8.042 1.892 1086 1HD2 LEU 44 HD21 LEU 44 -8.317 11.632 2.328 1087 2HD2 LEU 44 HD22 LEU 44 -9.587 11.371 1.130 1088 3HD2 LEU 44 HD23 LEU 44 -8.121 10.395 1.092 1089 H GLU 45 HN GLU 45 -11.806 13.723 2.909 1090 HA GLU 45 HA GLU 45 -14.044 14.192 4.545 1091 1HB GLU 45 HB2 GLU 45 -14.989 15.270 2.369 1092 2HB GLU 45 HB1 GLU 45 -13.475 15.911 3.010 1093 1HG GLU 45 HG2 GLU 45 -12.172 14.706 1.424 1094 2HG GLU 45 HG1 GLU 45 -13.544 13.703 0.952 1095 H GLU 46 HN GLU 46 -16.137 13.309 4.568 1096 HA GLU 46 HA GLU 46 -16.480 10.678 3.468 1097 1HB GLU 46 HB2 GLU 46 -18.957 11.148 4.143 1098 2HB GLU 46 HB1 GLU 46 -17.735 11.093 5.410 1099 1HG GLU 46 HG2 GLU 46 -17.658 13.450 5.609 1100 2HG GLU 46 HG1 GLU 46 -18.462 13.696 4.065 1101 H ILE 47 HN ILE 47 -16.543 10.438 1.246 1102 HA ILE 47 HA ILE 47 -17.673 12.466 -0.486 1103 HB ILE 47 HB ILE 47 -17.225 10.972 -2.304 1104 1HG1 ILE 47 HG12 ILE 47 -17.158 8.795 -0.191 1105 2HG1 ILE 47 HG11 ILE 47 -18.274 8.938 -1.549 1106 1HG2 ILE 47 HG21 ILE 47 -15.250 11.884 -0.940 1107 2HG2 ILE 47 HG22 ILE 47 -14.913 10.515 -2.004 1108 3HG2 ILE 47 HG23 ILE 47 -15.108 10.257 -0.272 1109 1HD1 ILE 47 HD11 ILE 47 -16.732 7.349 -2.323 1110 2HD1 ILE 47 HD12 ILE 47 -15.360 8.176 -1.589 1111 3HD1 ILE 47 HD13 ILE 47 -16.127 8.848 -3.027 1112 H LYS 48 HN LYS 48 -19.738 12.637 -1.272 1113 HA LYS 48 HA LYS 48 -21.755 10.659 -0.277 1114 1HB LYS 48 HB2 LYS 48 -22.122 13.473 -1.362 1115 2HB LYS 48 HB1 LYS 48 -23.400 12.434 -0.738 1116 1HG LYS 48 HG2 LYS 48 -22.012 12.308 1.423 1117 2HG LYS 48 HG1 LYS 48 -21.102 13.674 0.775 1118 1HD LYS 48 HD2 LYS 48 -24.099 13.594 1.268 1119 2HD LYS 48 HD1 LYS 48 -22.916 14.499 2.212 1120 1HE LYS 48 HE2 LYS 48 -23.763 16.125 0.735 1121 2HE LYS 48 HE1 LYS 48 -22.282 15.598 -0.070 1122 1HZ LYS 48 HZ1 LYS 48 -23.473 14.921 -1.790 1123 2HZ LYS 48 HZ2 LYS 48 -24.884 15.506 -1.048 1124 3HZ LYS 48 HZ3 LYS 48 -24.400 13.899 -0.805 1125 H GLU 49 HN GLU 49 -20.122 11.816 -3.041 1126 HA GLU 49 HA GLU 49 -22.018 10.372 -4.872 1127 1HB GLU 49 HB2 GLU 49 -20.209 12.750 -5.402 1128 2HB GLU 49 HB1 GLU 49 -21.043 11.852 -6.667 1129 1HG GLU 49 HG2 GLU 49 -23.213 12.398 -5.638 1130 2HG GLU 49 HG1 GLU 49 -22.384 13.268 -4.348 1131 H GLN 50 HN GLN 50 -21.105 8.766 -6.122 1132 HA GLN 50 HA GLN 50 -18.435 7.860 -5.391 1133 1HB GLN 50 HB2 GLN 50 -18.923 6.092 -7.156 1134 2HB GLN 50 HB1 GLN 50 -20.093 6.171 -5.844 1135 1HG GLN 50 HG2 GLN 50 -21.718 7.223 -7.182 1136 2HG GLN 50 HG1 GLN 50 -20.530 7.764 -8.367 1137 1HE2 GLN 50 HE21 GLN 50 -19.840 6.238 -10.008 1138 2HE2 GLN 50 HE22 GLN 50 -20.617 4.749 -10.234 1139 H GLU 51 HN GLU 51 -19.685 10.005 -7.766 1140 HA GLU 51 HA GLU 51 -18.105 9.620 -9.991 1141 1HB GLU 51 HB2 GLU 51 -19.816 11.443 -9.663 1142 2HB GLU 51 HB1 GLU 51 -18.595 12.336 -8.755 1143 1HG GLU 51 HG2 GLU 51 -17.086 12.147 -10.778 1144 2HG GLU 51 HG1 GLU 51 -18.462 11.493 -11.664 1145 H VAL 52 HN VAL 52 -17.059 10.935 -6.878 1146 HA VAL 52 HA VAL 52 -14.423 11.596 -7.967 1147 HB VAL 52 HB VAL 52 -13.785 12.031 -5.625 1148 1HG1 VAL 52 HG11 VAL 52 -16.539 13.071 -6.365 1149 2HG1 VAL 52 HG12 VAL 52 -14.996 13.797 -6.811 1150 3HG1 VAL 52 HG13 VAL 52 -15.499 13.765 -5.119 1151 1HG2 VAL 52 HG21 VAL 52 -15.598 11.743 -3.872 1152 2HG2 VAL 52 HG22 VAL 52 -14.926 10.232 -4.488 1153 3HG2 VAL 52 HG23 VAL 52 -16.494 10.795 -5.059 1154 H VAL 53 HN VAL 53 -15.924 8.941 -6.203 1155 HA VAL 53 HA VAL 53 -13.474 7.477 -5.881 1156 HB VAL 53 HB VAL 53 -16.103 7.174 -5.004 1157 1HG1 VAL 53 HG11 VAL 53 -15.509 4.738 -6.699 1158 2HG1 VAL 53 HG12 VAL 53 -16.609 6.016 -7.207 1159 3HG1 VAL 53 HG13 VAL 53 -16.966 5.073 -5.761 1160 1HG2 VAL 53 HG21 VAL 53 -13.898 5.114 -4.933 1161 2HG2 VAL 53 HG22 VAL 53 -15.276 5.169 -3.842 1162 3HG2 VAL 53 HG23 VAL 53 -14.075 6.460 -3.815 1163 H ASP 54 HN ASP 54 -15.608 8.139 -8.472 1164 HA ASP 54 HA ASP 54 -14.717 5.936 -10.184 1165 1HB ASP 54 HB2 ASP 54 -16.944 7.028 -10.471 1166 2HB ASP 54 HB1 ASP 54 -16.132 8.535 -10.886 1167 H LYS 55 HN LYS 55 -13.891 9.277 -9.509 1168 HA LYS 55 HA LYS 55 -11.990 9.519 -11.719 1169 1HB LYS 55 HB2 LYS 55 -13.039 11.528 -10.877 1170 2HB LYS 55 HB1 LYS 55 -12.504 11.183 -9.237 1171 1HG LYS 55 HG2 LYS 55 -10.265 11.293 -11.174 1172 2HG LYS 55 HG1 LYS 55 -11.151 12.810 -11.064 1173 1HD LYS 55 HD2 LYS 55 -10.763 12.973 -8.704 1174 2HD LYS 55 HD1 LYS 55 -10.170 11.315 -8.624 1175 1HE LYS 55 HE2 LYS 55 -8.427 13.235 -8.638 1176 2HE LYS 55 HE1 LYS 55 -8.147 11.849 -9.692 1177 1HZ LYS 55 HZ1 LYS 55 -9.506 14.339 -10.565 1178 2HZ LYS 55 HZ2 LYS 55 -8.989 13.051 -11.545 1179 3HZ LYS 55 HZ3 LYS 55 -7.850 14.051 -10.778 1180 H VAL 56 HN VAL 56 -11.624 9.332 -8.153 1181 HA VAL 56 HA VAL 56 -8.837 9.078 -8.040 1182 HB VAL 56 HB VAL 56 -10.632 9.073 -6.103 1183 1HG1 VAL 56 HG11 VAL 56 -11.192 6.953 -5.176 1184 2HG1 VAL 56 HG12 VAL 56 -10.078 6.105 -6.247 1185 3HG1 VAL 56 HG13 VAL 56 -11.544 6.824 -6.893 1186 1HG2 VAL 56 HG21 VAL 56 -8.946 8.011 -4.579 1187 2HG2 VAL 56 HG22 VAL 56 -8.261 9.221 -5.659 1188 3HG2 VAL 56 HG23 VAL 56 -8.042 7.505 -6.007 1189 H MET 57 HN MET 57 -11.272 6.591 -8.666 1190 HA MET 57 HA MET 57 -9.496 4.364 -8.870 1191 1HB MET 57 HB2 MET 57 -12.156 5.008 -10.154 1192 2HB MET 57 HB1 MET 57 -11.335 3.480 -10.444 1193 1HG MET 57 HG2 MET 57 -11.763 4.427 -7.615 1194 2HG MET 57 HG1 MET 57 -13.082 3.645 -8.494 1195 1HE MET 57 HE1 MET 57 -12.551 0.126 -7.817 1196 2HE MET 57 HE2 MET 57 -13.157 1.112 -9.144 1197 3HE MET 57 HE3 MET 57 -13.510 1.580 -7.479 1198 H GLU 58 HN GLU 58 -10.268 6.984 -11.062 1199 HA GLU 58 HA GLU 58 -9.146 5.804 -13.436 1200 1HB GLU 58 HB2 GLU 58 -10.643 7.901 -13.252 1201 2HB GLU 58 HB1 GLU 58 -9.165 8.762 -12.816 1202 1HG GLU 58 HG2 GLU 58 -9.376 9.014 -15.183 1203 2HG GLU 58 HG1 GLU 58 -8.132 7.789 -14.942 1204 H THR 59 HN THR 59 -7.841 7.745 -10.790 1205 HA THR 59 HA THR 59 -5.193 7.899 -12.009 1206 HB THR 59 HB THR 59 -6.027 8.456 -9.146 1207 HG1 THR 59 HG1 THR 59 -5.637 10.680 -10.277 1208 1HG2 THR 59 HG21 THR 59 -3.659 8.175 -9.268 1209 2HG2 THR 59 HG22 THR 59 -3.948 9.914 -9.268 1210 3HG2 THR 59 HG23 THR 59 -3.567 9.080 -10.780 1211 H LEU 60 HN LEU 60 -6.890 5.741 -9.808 1212 HA LEU 60 HA LEU 60 -4.319 4.324 -9.223 1213 1HB LEU 60 HB2 LEU 60 -7.039 4.347 -7.965 1214 2HB LEU 60 HB1 LEU 60 -6.063 2.894 -7.785 1215 HG LEU 60 HG LEU 60 -5.765 4.499 -5.927 1216 1HD1 LEU 60 HD11 LEU 60 -3.093 4.547 -7.289 1217 2HD1 LEU 60 HD12 LEU 60 -3.842 2.966 -7.063 1218 3HD1 LEU 60 HD13 LEU 60 -3.526 3.994 -5.672 1219 1HD2 LEU 60 HD21 LEU 60 -4.669 6.626 -6.268 1220 2HD2 LEU 60 HD22 LEU 60 -6.056 6.550 -7.352 1221 3HD2 LEU 60 HD23 LEU 60 -4.433 6.282 -7.980 1222 H ASP 61 HN ASP 61 -7.566 3.538 -10.705 1223 HA ASP 61 HA ASP 61 -6.986 0.828 -11.207 1224 1HB ASP 61 HB2 ASP 61 -9.170 2.128 -11.563 1225 2HB ASP 61 HB1 ASP 61 -8.494 2.589 -13.125 1226 H GLU 62 HN GLU 62 -5.006 0.340 -11.932 1227 HA GLU 62 HA GLU 62 -3.897 1.750 -14.290 1228 1HB GLU 62 HB2 GLU 62 -2.785 -0.335 -12.401 1229 2HB GLU 62 HB1 GLU 62 -1.950 0.111 -13.892 1230 1HG GLU 62 HG2 GLU 62 -1.735 2.401 -13.188 1231 2HG GLU 62 HG1 GLU 62 -2.817 2.144 -11.823 1232 H ASP 63 HN ASP 63 -5.016 -1.445 -13.306 1233 HA ASP 63 HA ASP 63 -4.640 -2.573 -15.965 1234 1HB ASP 63 HB2 ASP 63 -6.264 -4.362 -14.894 1235 2HB ASP 63 HB1 ASP 63 -4.611 -4.224 -14.293 1236 H GLY 64 HN GLY 64 -6.791 -0.328 -14.696 1237 1HA GLY 64 HA2 GLY 64 -8.849 0.500 -15.522 1238 2HA GLY 64 HA1 GLY 64 -8.435 -0.318 -17.032 1239 H ASP 65 HN ASP 65 -8.953 -1.720 -13.798 1240 HA ASP 65 HA ASP 65 -10.930 -3.594 -15.035 1241 1HB ASP 65 HB2 ASP 65 -10.629 -4.827 -12.839 1242 2HB ASP 65 HB1 ASP 65 -9.186 -4.728 -13.849 1243 H GLY 66 HN GLY 66 -10.917 -0.726 -13.283 1244 1HA GLY 66 HA2 GLY 66 -12.711 0.404 -12.239 1245 2HA GLY 66 HA1 GLY 66 -13.771 -0.880 -12.825 1246 H GLU 67 HN GLU 67 -11.305 -2.367 -11.273 1247 HA GLU 67 HA GLU 67 -12.709 -2.379 -8.614 1248 1HB GLU 67 HB2 GLU 67 -11.332 -4.657 -10.081 1249 2HB GLU 67 HB1 GLU 67 -11.940 -4.753 -8.430 1250 1HG GLU 67 HG2 GLU 67 -14.219 -4.206 -9.257 1251 2HG GLU 67 HG1 GLU 67 -13.596 -4.173 -10.908 1252 H CYS 68 HN CYS 68 -11.013 -3.245 -6.895 1253 HA CYS 68 HA CYS 68 -8.315 -2.068 -7.518 1254 1HB CYS 68 HB2 CYS 68 -9.690 -1.872 -4.833 1255 2HB CYS 68 HB1 CYS 68 -8.233 -1.034 -5.365 1256 HG CYS 68 HG CYS 68 -9.620 0.673 -6.509 1257 H ASP 69 HN ASP 69 -7.423 -4.201 -7.841 1258 HA ASP 69 HA ASP 69 -7.708 -6.381 -6.093 1259 1HB ASP 69 HB2 ASP 69 -5.109 -5.580 -7.441 1260 2HB ASP 69 HB1 ASP 69 -5.607 -7.207 -6.981 1261 H PHE 70 HN PHE 70 -5.439 -7.068 -4.771 1262 HA PHE 70 HA PHE 70 -5.522 -5.283 -2.499 1263 1HB PHE 70 HB2 PHE 70 -3.497 -6.864 -1.822 1264 2HB PHE 70 HB1 PHE 70 -5.147 -7.467 -1.826 1265 HD1 PHE 70 HD1 PHE 70 -2.105 -7.193 -3.994 1266 HD2 PHE 70 HD2 PHE 70 -5.754 -9.306 -3.163 1267 HE1 PHE 70 HE1 PHE 70 -1.492 -8.895 -5.679 1268 HE2 PHE 70 HE2 PHE 70 -5.143 -11.015 -4.858 1269 HZ PHE 70 HZ PHE 70 -3.008 -10.811 -6.111 1270 H GLN 71 HN GLN 71 -3.253 -5.719 -5.165 1271 HA GLN 71 HA GLN 71 -1.155 -4.181 -3.908 1272 1HB GLN 71 HB2 GLN 71 -0.101 -4.222 -6.174 1273 2HB GLN 71 HB1 GLN 71 -0.531 -5.811 -5.554 1274 1HG GLN 71 HG2 GLN 71 -1.323 -5.919 -7.747 1275 2HG GLN 71 HG1 GLN 71 -2.772 -5.441 -6.868 1276 1HE2 GLN 71 HE21 GLN 71 -3.103 -4.691 -9.348 1277 2HE2 GLN 71 HE22 GLN 71 -2.687 -3.071 -9.649 1278 H GLU 72 HN GLU 72 -3.859 -3.385 -6.001 1279 HA GLU 72 HA GLU 72 -2.831 -0.635 -6.358 1280 1HB GLU 72 HB2 GLU 72 -3.851 -1.479 -8.298 1281 2HB GLU 72 HB1 GLU 72 -5.182 -2.197 -7.402 1282 1HG GLU 72 HG2 GLU 72 -6.102 0.010 -6.904 1283 2HG GLU 72 HG1 GLU 72 -4.714 0.789 -7.670 1284 H PHE 73 HN PHE 73 -5.445 -2.361 -4.688 1285 HA PHE 73 HA PHE 73 -6.809 -0.113 -3.623 1286 1HB PHE 73 HB2 PHE 73 -7.825 -2.249 -3.326 1287 2HB PHE 73 HB1 PHE 73 -6.372 -2.919 -2.594 1288 HD1 PHE 73 HD1 PHE 73 -7.327 -3.690 -0.565 1289 HD2 PHE 73 HD2 PHE 73 -7.827 0.430 -1.711 1290 HE1 PHE 73 HE1 PHE 73 -8.229 -3.165 1.683 1291 HE2 PHE 73 HE2 PHE 73 -8.719 0.934 0.534 1292 HZ PHE 73 HZ PHE 73 -8.926 -0.866 2.218 1293 H MET 74 HN MET 74 -3.970 -1.880 -2.526 1294 HA MET 74 HA MET 74 -3.694 -0.315 -0.100 1295 1HB MET 74 HB2 MET 74 -2.891 -2.649 -0.289 1296 2HB MET 74 HB1 MET 74 -1.729 -2.140 -1.513 1297 1HG MET 74 HG2 MET 74 -0.374 -1.071 0.031 1298 2HG MET 74 HG1 MET 74 -1.710 -0.691 1.109 1299 1HE MET 74 HE1 MET 74 1.278 -2.029 1.920 1300 2HE MET 74 HE2 MET 74 0.555 -2.723 3.369 1301 3HE MET 74 HE3 MET 74 0.024 -1.149 2.796 1302 H ALA 75 HN ALA 75 -2.953 0.118 -3.352 1303 HA ALA 75 HA ALA 75 -0.734 2.032 -2.908 1304 1HB ALA 75 HB1 ALA 75 -2.420 1.749 -5.410 1305 2HB ALA 75 HB2 ALA 75 -1.075 0.664 -5.064 1306 3HB ALA 75 HB3 ALA 75 -0.784 2.392 -5.279 1307 H PHE 76 HN PHE 76 -4.166 1.937 -2.989 1308 HA PHE 76 HA PHE 76 -4.583 4.760 -3.491 1309 1HB PHE 76 HB2 PHE 76 -6.458 3.383 -3.940 1310 2HB PHE 76 HB1 PHE 76 -6.345 2.570 -2.385 1311 HD1 PHE 76 HD1 PHE 76 -6.349 6.214 -3.344 1312 HD2 PHE 76 HD2 PHE 76 -8.255 3.055 -1.126 1313 HE1 PHE 76 HE1 PHE 76 -7.920 7.853 -2.360 1314 HE2 PHE 76 HE2 PHE 76 -9.834 4.697 -0.153 1315 HZ PHE 76 HZ PHE 76 -9.662 7.098 -0.760 1316 H VAL 77 HN VAL 77 -4.602 2.821 -0.457 1317 HA VAL 77 HA VAL 77 -5.052 5.040 1.271 1318 HB VAL 77 HB VAL 77 -3.530 2.451 1.693 1319 1HG1 VAL 77 HG11 VAL 77 -2.577 3.932 3.294 1320 2HG1 VAL 77 HG12 VAL 77 -3.854 3.096 4.175 1321 3HG1 VAL 77 HG13 VAL 77 -4.120 4.740 3.583 1322 1HG2 VAL 77 HG21 VAL 77 -5.541 1.929 3.070 1323 2HG2 VAL 77 HG22 VAL 77 -5.937 2.211 1.372 1324 3HG2 VAL 77 HG23 VAL 77 -6.249 3.464 2.575 1325 H SER 78 HN SER 78 -2.216 3.827 -0.342 1326 HA SER 78 HA SER 78 -0.235 5.373 1.016 1327 1HB SER 78 HB2 SER 78 0.076 4.827 -1.901 1328 2HB SER 78 HB1 SER 78 1.203 4.509 -0.584 1329 HG SER 78 HG SER 78 -1.227 3.127 -0.664 1330 H MET 79 HN MET 79 -2.361 5.950 -1.710 1331 HA MET 79 HA MET 79 -1.306 8.524 -2.452 1332 1HB MET 79 HB2 MET 79 -2.789 7.055 -3.894 1333 2HB MET 79 HB1 MET 79 -4.122 7.471 -2.819 1334 1HG MET 79 HG2 MET 79 -3.259 9.973 -3.378 1335 2HG MET 79 HG1 MET 79 -2.749 9.166 -4.858 1336 1HE MET 79 HE1 MET 79 -4.416 9.185 -6.898 1337 2HE MET 79 HE2 MET 79 -4.106 10.722 -6.098 1338 3HE MET 79 HE3 MET 79 -5.739 10.324 -6.615 1339 H VAL 80 HN VAL 80 -3.466 7.317 -0.052 1340 HA VAL 80 HA VAL 80 -4.525 9.959 0.669 1341 HB VAL 80 HB VAL 80 -4.738 7.303 2.128 1342 1HG1 VAL 80 HG11 VAL 80 -6.705 8.399 3.202 1343 2HG1 VAL 80 HG12 VAL 80 -6.282 9.896 2.370 1344 3HG1 VAL 80 HG13 VAL 80 -5.187 9.218 3.566 1345 1HG2 VAL 80 HG21 VAL 80 -6.880 8.564 0.409 1346 2HG2 VAL 80 HG22 VAL 80 -6.813 6.919 1.040 1347 3HG2 VAL 80 HG23 VAL 80 -5.720 7.414 -0.248 1348 H THR 81 HN THR 81 -2.177 7.560 1.681 1349 HA THR 81 HA THR 81 -1.456 8.942 4.112 1350 HB THR 81 HB THR 81 0.286 7.055 2.504 1351 HG1 THR 81 HG1 THR 81 -1.272 5.702 2.849 1352 1HG2 THR 81 HG21 THR 81 1.590 7.915 4.246 1353 2HG2 THR 81 HG22 THR 81 0.929 6.448 4.964 1354 3HG2 THR 81 HG23 THR 81 0.226 8.014 5.361 1355 H THR 82 HN THR 82 -0.322 8.976 0.707 1356 HA THR 82 HA THR 82 2.006 10.531 1.212 1357 HB THR 82 HB THR 82 1.794 11.043 -1.241 1358 HG1 THR 82 HG1 THR 82 -0.206 10.941 -1.868 1359 1HG2 THR 82 HG21 THR 82 1.608 8.356 -1.694 1360 2HG2 THR 82 HG22 THR 82 1.889 8.351 0.044 1361 3HG2 THR 82 HG23 THR 82 3.046 9.128 -1.028 1362 H ALA 83 HN ALA 83 -1.372 11.535 0.460 1363 HA ALA 83 HA ALA 83 -0.785 14.305 0.157 1364 1HB ALA 83 HB1 ALA 83 -3.235 14.518 1.049 1365 2HB ALA 83 HB2 ALA 83 -3.234 12.755 1.005 1366 3HB ALA 83 HB3 ALA 83 -2.967 13.674 -0.479 1367 H CYS 84 HN CYS 84 -1.154 12.194 2.926 1368 HA CYS 84 HA CYS 84 -1.269 14.378 4.876 1369 1HB CYS 84 HB2 CYS 84 -0.789 11.400 5.119 1370 2HB CYS 84 HB1 CYS 84 -0.776 12.478 6.511 1371 HG CYS 84 HG CYS 84 -3.308 12.306 4.683 1372 H HIS 85 HN HIS 85 1.241 12.685 3.170 1373 HA HIS 85 HA HIS 85 3.329 13.492 5.095 1374 1HB HIS 85 HB2 HIS 85 3.348 11.329 3.669 1375 2HB HIS 85 HB1 HIS 85 3.799 12.371 2.323 1376 HD1 HIS 85 HD1 HIS 85 4.974 12.146 5.971 1377 HD2 HIS 85 HD2 HIS 85 6.534 12.347 2.112 1378 HE1 HIS 85 HE1 HIS 85 7.490 12.189 6.219 1379 H GLU 86 HN GLU 86 2.110 14.426 1.890 1380 HA GLU 86 HA GLU 86 4.213 16.415 1.506 1381 1HB GLU 86 HB2 GLU 86 3.148 16.923 -0.547 1382 2HB GLU 86 HB1 GLU 86 2.862 15.199 -0.324 1383 1HG GLU 86 HG2 GLU 86 0.700 15.869 -0.850 1384 2HG GLU 86 HG1 GLU 86 0.645 16.081 0.903 1385 H PHE 87 HN PHE 87 1.072 16.315 2.998 1386 HA PHE 87 HA PHE 87 0.448 19.109 2.965 1387 1HB PHE 87 HB2 PHE 87 -1.205 17.410 3.577 1388 2HB PHE 87 HB1 PHE 87 -0.257 16.975 4.998 1389 HD1 PHE 87 HD1 PHE 87 -0.246 18.367 6.979 1390 HD2 PHE 87 HD2 PHE 87 -2.350 19.601 3.443 1391 HE1 PHE 87 HE1 PHE 87 -1.403 20.138 8.280 1392 HE2 PHE 87 HE2 PHE 87 -3.505 21.369 4.744 1393 HZ PHE 87 HZ PHE 87 -3.034 21.637 7.160 1394 H PHE 88 HN PHE 88 1.918 17.136 5.578 1395 HA PHE 88 HA PHE 88 2.593 19.462 7.161 1396 1HB PHE 88 HB2 PHE 88 2.364 17.076 8.013 1397 2HB PHE 88 HB1 PHE 88 3.936 16.753 7.286 1398 HD1 PHE 88 HD1 PHE 88 2.203 19.055 9.667 1399 HD2 PHE 88 HD2 PHE 88 5.921 17.293 8.449 1400 HE1 PHE 88 HE1 PHE 88 3.324 20.032 11.660 1401 HE2 PHE 88 HE2 PHE 88 7.038 18.273 10.430 1402 HZ PHE 88 HZ PHE 88 5.743 19.634 12.039 1403 H GLU 89 HN GLU 89 4.293 17.590 4.709 1404 HA GLU 89 HA GLU 89 6.799 19.097 5.125 1405 1HB GLU 89 HB2 GLU 89 5.992 17.009 3.078 1406 2HB GLU 89 HB1 GLU 89 7.606 17.705 3.215 1407 1HG GLU 89 HG2 GLU 89 7.817 16.840 5.499 1408 2HG GLU 89 HG1 GLU 89 6.175 16.196 5.419 1409 H HIS 90 HN HIS 90 3.934 19.857 3.746 1410 HA HIS 90 HA HIS 90 4.471 20.749 1.140 1411 1HB HIS 90 HB2 HIS 90 2.234 20.861 2.197 1412 2HB HIS 90 HB1 HIS 90 2.802 22.165 3.243 1413 HD1 HIS 90 HD1 HIS 90 4.086 24.165 1.624 1414 HD2 HIS 90 HD2 HIS 90 0.954 21.934 0.007 1415 HE1 HIS 90 HE1 HIS 90 3.169 25.508 -0.324 1416 HE2 HIS 90 HE2 HIS 90 1.272 24.160 -1.308 1417 H GLU 91 HN GLU 91 6.463 21.687 0.785 1418 HA GLU 91 HA GLU 91 7.652 23.661 2.522 1419 1HB GLU 91 HB2 GLU 91 8.954 22.261 0.935 1420 2HB GLU 91 HB1 GLU 91 8.182 23.101 -0.410 1421 1HG GLU 91 HG2 GLU 91 9.181 25.200 0.230 1422 2HG GLU 91 HG1 GLU 91 9.792 24.515 1.736 Start of MODEL 7 1 1H MET 0 HT1 MET 0 -12.333 1.766 16.938 2 2H MET 0 HT2 MET 0 -12.274 0.936 15.457 3 3H MET 0 HT3 MET 0 -12.552 2.612 15.485 4 HA MET 0 HA MET 0 -10.333 2.980 16.394 5 1HB MET 0 HB2 MET 0 -8.818 0.855 16.134 6 2HB MET 0 HB1 MET 0 -9.823 1.015 17.575 7 1HG MET 0 HG2 MET 0 -11.451 -0.500 16.748 8 2HG MET 0 HG1 MET 0 -10.816 -0.413 15.105 9 1HE MET 0 HE1 MET 0 -11.145 -2.853 15.142 10 2HE MET 0 HE2 MET 0 -11.352 -3.253 16.846 11 3HE MET 0 HE3 MET 0 -10.093 -4.053 15.906 12 H SER 1 HN SER 1 -9.191 3.908 14.751 13 HA SER 1 HA SER 1 -9.803 3.125 11.990 14 1HB SER 1 HB2 SER 1 -8.067 4.999 11.528 15 2HB SER 1 HB1 SER 1 -9.612 5.453 12.236 16 HG SER 1 HG SER 1 -7.515 4.733 13.940 17 H GLU 2 HN GLU 2 -8.877 0.967 12.247 18 HA GLU 2 HA GLU 2 -6.212 0.323 12.850 19 1HB GLU 2 HB2 GLU 2 -8.140 -0.863 10.862 20 2HB GLU 2 HB1 GLU 2 -6.528 -1.541 11.089 21 1HG GLU 2 HG2 GLU 2 -8.409 -1.044 13.401 22 2HG GLU 2 HG1 GLU 2 -8.417 -2.559 12.498 23 H LEU 3 HN LEU 3 -7.512 1.750 9.882 24 HA LEU 3 HA LEU 3 -5.009 1.481 8.434 25 1HB LEU 3 HB2 LEU 3 -7.301 3.399 7.907 26 2HB LEU 3 HB1 LEU 3 -5.990 3.021 6.796 27 HG LEU 3 HG LEU 3 -8.094 1.104 7.810 28 1HD1 LEU 3 HD11 LEU 3 -9.024 2.461 6.095 29 2HD1 LEU 3 HD12 LEU 3 -8.539 0.969 5.291 30 3HD1 LEU 3 HD13 LEU 3 -7.537 2.411 5.147 31 1HD2 LEU 3 HD21 LEU 3 -6.900 -0.355 5.943 32 2HD2 LEU 3 HD22 LEU 3 -6.235 -0.307 7.573 33 3HD2 LEU 3 HD23 LEU 3 -5.519 0.682 6.299 34 H GLU 4 HN GLU 4 -6.068 3.643 10.899 35 HA GLU 4 HA GLU 4 -4.342 5.859 10.087 36 1HB GLU 4 HB2 GLU 4 -6.218 6.385 11.528 37 2HB GLU 4 HB1 GLU 4 -5.694 5.198 12.724 38 1HG GLU 4 HG2 GLU 4 -3.749 6.492 13.276 39 2HG GLU 4 HG1 GLU 4 -3.992 7.560 11.893 40 H LYS 5 HN LYS 5 -4.122 2.976 12.038 41 HA LYS 5 HA LYS 5 -1.601 3.572 13.301 42 1HB LYS 5 HB2 LYS 5 -3.286 1.127 12.815 43 2HB LYS 5 HB1 LYS 5 -1.615 0.886 13.322 44 1HG LYS 5 HG2 LYS 5 -1.982 1.725 15.437 45 2HG LYS 5 HG1 LYS 5 -3.158 2.913 14.886 46 1HD LYS 5 HD2 LYS 5 -3.968 0.024 14.726 47 2HD LYS 5 HD1 LYS 5 -3.879 0.750 16.329 48 1HE LYS 5 HE2 LYS 5 -5.358 2.117 14.075 49 2HE LYS 5 HE1 LYS 5 -6.140 0.910 15.098 50 1HZ LYS 5 HZ1 LYS 5 -4.709 3.262 16.187 51 2HZ LYS 5 HZ2 LYS 5 -5.754 2.204 17.009 52 3HZ LYS 5 HZ3 LYS 5 -6.369 3.274 15.841 53 H ALA 6 HN ALA 6 -2.525 1.813 10.352 54 HA ALA 6 HA ALA 6 0.139 1.126 9.574 55 1HB ALA 6 HB1 ALA 6 -2.360 1.513 7.905 56 2HB ALA 6 HB2 ALA 6 -1.845 0.002 8.649 57 3HB ALA 6 HB3 ALA 6 -0.892 0.716 7.352 58 H MET 7 HN MET 7 -1.983 3.828 8.673 59 HA MET 7 HA MET 7 -0.291 5.064 6.790 60 1HB MET 7 HB2 MET 7 -2.171 6.297 8.827 61 2HB MET 7 HB1 MET 7 -1.399 7.221 7.544 62 1HG MET 7 HG2 MET 7 -2.695 6.247 5.882 63 2HG MET 7 HG1 MET 7 -2.927 4.750 6.781 64 1HE MET 7 HE1 MET 7 -6.439 5.301 6.741 65 2HE MET 7 HE2 MET 7 -5.038 4.860 5.775 66 3HE MET 7 HE3 MET 7 -5.832 6.407 5.503 67 H VAL 8 HN VAL 8 -0.307 5.347 10.331 68 HA VAL 8 HA VAL 8 1.843 7.315 10.324 69 HB VAL 8 HB VAL 8 0.604 5.613 12.506 70 1HG1 VAL 8 HG11 VAL 8 2.851 7.634 12.623 71 2HG1 VAL 8 HG12 VAL 8 2.825 5.994 13.275 72 3HG1 VAL 8 HG13 VAL 8 1.856 7.260 14.030 73 1HG2 VAL 8 HG21 VAL 8 -0.814 7.400 11.591 74 2HG2 VAL 8 HG22 VAL 8 0.480 8.572 11.840 75 3HG2 VAL 8 HG23 VAL 8 -0.301 7.811 13.227 76 H ALA 9 HN ALA 9 1.639 3.823 10.945 77 HA ALA 9 HA ALA 9 4.393 3.473 11.604 78 1HB ALA 9 HB1 ALA 9 3.920 1.075 10.753 79 2HB ALA 9 HB2 ALA 9 2.269 1.637 10.502 80 3HB ALA 9 HB3 ALA 9 2.973 1.658 12.118 81 H LEU 10 HN LEU 10 2.708 3.687 8.490 82 HA LEU 10 HA LEU 10 5.069 2.804 6.997 83 1HB LEU 10 HB2 LEU 10 2.316 3.783 6.343 84 2HB LEU 10 HB1 LEU 10 3.535 3.881 5.075 85 HG LEU 10 HG LEU 10 3.402 1.272 6.553 86 1HD1 LEU 10 HD11 LEU 10 1.512 0.609 4.871 87 2HD1 LEU 10 HD12 LEU 10 1.145 2.333 4.888 88 3HD1 LEU 10 HD13 LEU 10 1.088 1.412 6.381 89 1HD2 LEU 10 HD21 LEU 10 4.952 1.637 4.668 90 2HD2 LEU 10 HD22 LEU 10 3.594 2.036 3.617 91 3HD2 LEU 10 HD23 LEU 10 3.762 0.402 4.259 92 H ILE 11 HN ILE 11 3.445 5.971 7.427 93 HA ILE 11 HA ILE 11 5.082 7.566 5.855 94 HB ILE 11 HB ILE 11 3.820 8.123 8.548 95 1HG1 ILE 11 HG12 ILE 11 3.215 9.171 5.771 96 2HG1 ILE 11 HG11 ILE 11 2.439 7.751 6.457 97 1HG2 ILE 11 HG21 ILE 11 4.258 10.576 7.899 98 2HG2 ILE 11 HG22 ILE 11 5.459 9.947 6.772 99 3HG2 ILE 11 HG23 ILE 11 5.643 9.667 8.503 100 1HD1 ILE 11 HD11 ILE 11 1.276 8.994 8.060 101 2HD1 ILE 11 HD12 ILE 11 1.274 10.094 6.683 102 3HD1 ILE 11 HD13 ILE 11 2.419 10.336 8.000 103 H ASP 12 HN ASP 12 5.856 6.063 8.936 104 HA ASP 12 HA ASP 12 8.315 7.567 9.301 105 1HB ASP 12 HB2 ASP 12 7.282 5.005 10.540 106 2HB ASP 12 HB1 ASP 12 8.814 5.751 10.997 107 H VAL 13 HN VAL 13 7.618 4.215 8.274 108 HA VAL 13 HA VAL 13 10.391 3.768 7.515 109 HB VAL 13 HB VAL 13 7.979 2.147 6.658 110 1HG1 VAL 13 HG11 VAL 13 10.934 1.571 6.962 111 2HG1 VAL 13 HG12 VAL 13 9.959 1.468 5.496 112 3HG1 VAL 13 HG13 VAL 13 9.720 0.301 6.799 113 1HG2 VAL 13 HG21 VAL 13 7.772 2.270 9.019 114 2HG2 VAL 13 HG22 VAL 13 9.518 2.201 9.258 115 3HG2 VAL 13 HG23 VAL 13 8.644 0.769 8.725 116 H PHE 14 HN PHE 14 7.517 4.984 5.951 117 HA PHE 14 HA PHE 14 8.498 4.583 3.235 118 1HB PHE 14 HB2 PHE 14 6.172 4.857 3.319 119 2HB PHE 14 HB1 PHE 14 6.273 6.182 4.468 120 HD1 PHE 14 HD1 PHE 14 7.542 5.383 1.021 121 HD2 PHE 14 HD2 PHE 14 5.786 8.312 3.632 122 HE1 PHE 14 HE1 PHE 14 7.474 7.014 -0.847 123 HE2 PHE 14 HE2 PHE 14 5.718 9.938 1.763 124 HZ PHE 14 HZ PHE 14 6.563 9.290 -0.476 125 H HIS 15 HN HIS 15 8.445 7.406 5.433 126 HA HIS 15 HA HIS 15 9.877 9.068 3.533 127 1HB HIS 15 HB2 HIS 15 8.307 9.789 5.484 128 2HB HIS 15 HB1 HIS 15 9.737 9.617 6.499 129 HD1 HIS 15 HD1 HIS 15 10.878 11.809 6.780 130 HD2 HIS 15 HD2 HIS 15 9.206 11.443 2.979 131 HE1 HIS 15 HE1 HIS 15 11.448 13.942 5.539 132 H GLN 16 HN GLN 16 10.828 7.016 6.254 133 HA GLN 16 HA GLN 16 13.517 8.022 6.468 134 1HB GLN 16 HB2 GLN 16 12.198 5.422 7.266 135 2HB GLN 16 HB1 GLN 16 13.925 5.687 7.507 136 1HG GLN 16 HG2 GLN 16 13.502 7.620 8.896 137 2HG GLN 16 HG1 GLN 16 11.777 7.555 8.538 138 1HE2 GLN 16 HE21 GLN 16 13.530 4.546 9.031 139 2HE2 GLN 16 HE22 GLN 16 12.868 4.191 10.553 140 H TYR 17 HN TYR 17 12.051 5.451 4.515 141 HA TYR 17 HA TYR 17 14.693 4.799 3.328 142 1HB TYR 17 HB2 TYR 17 11.920 3.630 3.086 143 2HB TYR 17 HB1 TYR 17 13.192 3.190 1.944 144 HD1 TYR 17 HD1 TYR 17 12.433 3.381 5.602 145 HD2 TYR 17 HD2 TYR 17 14.807 1.564 2.520 146 HE1 TYR 17 HE1 TYR 17 13.375 1.800 7.261 147 HE2 TYR 17 HE2 TYR 17 15.752 -0.018 4.179 148 HH TYR 17 HH TYR 17 15.685 -0.733 6.276 149 H SER 18 HN SER 18 11.476 5.704 2.014 150 HA SER 18 HA SER 18 12.338 6.337 -0.584 151 1HB SER 18 HB2 SER 18 10.293 8.004 0.895 152 2HB SER 18 HB1 SER 18 10.338 7.599 -0.819 153 HG SER 18 HG SER 18 10.363 5.356 0.640 154 H GLY 19 HN GLY 19 12.827 8.030 2.423 155 1HA GLY 19 HA2 GLY 19 13.888 10.441 1.028 156 2HA GLY 19 HA1 GLY 19 13.509 10.337 2.743 157 H ARG 20 HN ARG 20 15.102 7.506 2.045 158 HA ARG 20 HA ARG 20 17.451 8.190 3.500 159 1HB ARG 20 HB2 ARG 20 16.687 5.870 3.149 160 2HB ARG 20 HB1 ARG 20 17.058 6.000 1.434 161 1HG ARG 20 HG2 ARG 20 19.469 6.509 2.138 162 2HG ARG 20 HG1 ARG 20 18.990 6.029 3.765 163 1HD ARG 20 HD2 ARG 20 18.068 3.879 2.562 164 2HD ARG 20 HD1 ARG 20 19.173 4.362 1.273 165 HE ARG 20 HE ARG 20 20.946 3.640 2.644 166 1HH1 ARG 20 HH21 ARG 20 18.110 4.339 4.474 167 2HH1 ARG 20 HH22 ARG 20 18.785 3.804 5.977 168 1HH2 ARG 20 HH11 ARG 20 21.847 2.938 4.597 169 2HH2 ARG 20 HH12 ARG 20 20.901 3.011 6.046 170 H GLU 21 HN GLU 21 16.780 8.120 0.034 171 HA GLU 21 HA GLU 21 18.953 10.050 -0.429 172 1HB GLU 21 HB2 GLU 21 19.952 8.514 -2.242 173 2HB GLU 21 HB1 GLU 21 20.331 8.124 -0.564 174 1HG GLU 21 HG2 GLU 21 18.727 6.359 -0.507 175 2HG GLU 21 HG1 GLU 21 17.988 6.885 -2.020 176 H GLY 22 HN GLY 22 19.002 10.729 -2.765 177 1HA GLY 22 HA2 GLY 22 17.941 10.945 -4.919 178 2HA GLY 22 HA1 GLY 22 16.535 10.091 -4.291 179 H ASP 23 HN ASP 23 15.313 11.912 -5.257 180 HA ASP 23 HA ASP 23 15.499 14.614 -4.621 181 1HB ASP 23 HB2 ASP 23 13.784 13.684 -6.138 182 2HB ASP 23 HB1 ASP 23 12.952 12.970 -4.756 183 H LYS 24 HN LYS 24 12.984 12.760 -2.935 184 HA LYS 24 HA LYS 24 14.064 13.113 -0.310 185 1HB LYS 24 HB2 LYS 24 13.067 15.499 -1.385 186 2HB LYS 24 HB1 LYS 24 11.730 14.927 -0.400 187 1HG LYS 24 HG2 LYS 24 14.583 15.186 0.605 188 2HG LYS 24 HG1 LYS 24 13.338 16.412 0.835 189 1HD LYS 24 HD2 LYS 24 11.937 14.771 2.034 190 2HD LYS 24 HD1 LYS 24 13.184 13.544 1.813 191 1HE LYS 24 HE2 LYS 24 13.673 16.181 3.220 192 2HE LYS 24 HE1 LYS 24 13.240 14.694 4.064 193 1HZ LYS 24 HZ1 LYS 24 15.445 14.385 4.103 194 2HZ LYS 24 HZ2 LYS 24 15.738 15.451 2.812 195 3HZ LYS 24 HZ3 LYS 24 15.241 13.856 2.505 196 H HIS 25 HN HIS 25 11.760 12.011 -2.503 197 HA HIS 25 HA HIS 25 10.537 10.323 -0.431 198 1HB HIS 25 HB2 HIS 25 8.610 11.854 -2.174 199 2HB HIS 25 HB1 HIS 25 8.308 11.021 -0.651 200 HD2 HIS 25 HD2 HIS 25 9.175 14.554 -1.911 201 HE1 HIS 25 HE1 HIS 25 9.606 14.631 2.287 202 HE2 HIS 25 HE2 HIS 25 9.487 16.057 0.197 203 H LYS 26 HN LYS 26 12.192 9.510 -2.545 204 HA LYS 26 HA LYS 26 10.239 8.093 -4.324 205 1HB LYS 26 HB2 LYS 26 11.669 9.923 -5.435 206 2HB LYS 26 HB1 LYS 26 13.053 8.886 -5.109 207 1HG LYS 26 HG2 LYS 26 12.480 8.168 -7.252 208 2HG LYS 26 HG1 LYS 26 11.570 7.026 -6.268 209 1HD LYS 26 HD2 LYS 26 9.913 7.734 -7.750 210 2HD LYS 26 HD1 LYS 26 9.665 8.872 -6.428 211 1HE LYS 26 HE2 LYS 26 11.179 10.487 -7.623 212 2HE LYS 26 HE1 LYS 26 11.224 9.363 -8.980 213 1HZ LYS 26 HZ1 LYS 26 9.296 10.156 -9.678 214 2HZ LYS 26 HZ2 LYS 26 9.285 11.279 -8.404 215 3HZ LYS 26 HZ3 LYS 26 8.554 9.758 -8.207 216 H LEU 27 HN LEU 27 10.700 5.897 -4.634 217 HA LEU 27 HA LEU 27 12.621 4.756 -2.691 218 1HB LEU 27 HB2 LEU 27 10.091 4.094 -3.113 219 2HB LEU 27 HB1 LEU 27 10.766 3.112 -4.400 220 HG LEU 27 HG LEU 27 10.420 1.893 -2.251 221 1HD1 LEU 27 HD11 LEU 27 11.978 1.000 -3.818 222 2HD1 LEU 27 HD12 LEU 27 12.626 0.793 -2.194 223 3HD1 LEU 27 HD13 LEU 27 13.243 2.062 -3.234 224 1HD2 LEU 27 HD21 LEU 27 11.250 4.024 -0.914 225 2HD2 LEU 27 HD22 LEU 27 12.799 3.203 -1.037 226 3HD2 LEU 27 HD23 LEU 27 11.444 2.400 -0.264 227 H LYS 28 HN LYS 28 14.531 4.018 -3.282 228 HA LYS 28 HA LYS 28 15.071 3.354 -6.164 229 1HB LYS 28 HB2 LYS 28 17.108 4.091 -4.039 230 2HB LYS 28 HB1 LYS 28 17.389 3.906 -5.770 231 1HG LYS 28 HG2 LYS 28 15.734 5.769 -6.159 232 2HG LYS 28 HG1 LYS 28 15.706 6.027 -4.415 233 1HD LYS 28 HD2 LYS 28 18.023 6.618 -4.368 234 2HD LYS 28 HD1 LYS 28 18.272 6.054 -6.019 235 1HE LYS 28 HE2 LYS 28 16.226 8.199 -5.572 236 2HE LYS 28 HE1 LYS 28 17.930 8.648 -5.497 237 1HZ LYS 28 HZ1 LYS 28 17.005 8.847 -7.737 238 2HZ LYS 28 HZ2 LYS 28 16.651 7.186 -7.743 239 3HZ LYS 28 HZ3 LYS 28 18.265 7.713 -7.675 240 H LYS 29 HN LYS 29 16.446 1.441 -6.513 241 HA LYS 29 HA LYS 29 15.676 -0.851 -5.163 242 1HB LYS 29 HB2 LYS 29 17.027 -0.727 -7.295 243 2HB LYS 29 HB1 LYS 29 18.456 -0.459 -6.298 244 1HG LYS 29 HG2 LYS 29 18.359 -2.614 -5.349 245 2HG LYS 29 HG1 LYS 29 16.664 -2.835 -5.780 246 1HD LYS 29 HD2 LYS 29 18.223 -4.154 -7.227 247 2HD LYS 29 HD1 LYS 29 17.229 -3.015 -8.135 248 1HE LYS 29 HE2 LYS 29 19.717 -3.057 -8.736 249 2HE LYS 29 HE1 LYS 29 19.036 -1.472 -8.366 250 1HZ LYS 29 HZ1 LYS 29 19.875 -1.664 -6.117 251 2HZ LYS 29 HZ2 LYS 29 21.144 -1.834 -7.233 252 3HZ LYS 29 HZ3 LYS 29 20.507 -3.202 -6.452 253 H SER 30 HN SER 30 18.579 1.094 -4.430 254 HA SER 30 HA SER 30 19.727 -0.393 -2.387 255 1HB SER 30 HB2 SER 30 19.345 2.614 -2.388 256 2HB SER 30 HB1 SER 30 20.524 1.734 -1.421 257 HG SER 30 HG SER 30 21.440 2.510 -3.360 258 H GLU 31 HN GLU 31 16.589 0.847 -2.371 259 HA GLU 31 HA GLU 31 16.397 0.747 0.628 260 1HB GLU 31 HB2 GLU 31 14.578 1.840 -1.489 261 2HB GLU 31 HB1 GLU 31 14.100 1.710 0.196 262 1HG GLU 31 HG2 GLU 31 15.475 3.448 0.853 263 2HG GLU 31 HG1 GLU 31 16.728 3.041 -0.315 264 H LEU 32 HN LEU 32 15.144 -0.645 -2.359 265 HA LEU 32 HA LEU 32 13.233 -2.371 -1.192 266 1HB LEU 32 HB2 LEU 32 14.116 -1.771 -3.730 267 2HB LEU 32 HB1 LEU 32 14.724 -3.403 -3.543 268 HG LEU 32 HG LEU 32 12.526 -3.379 -4.589 269 1HD1 LEU 32 HD11 LEU 32 13.282 -5.052 -2.564 270 2HD1 LEU 32 HD12 LEU 32 11.823 -5.264 -3.531 271 3HD1 LEU 32 HD13 LEU 32 11.732 -4.476 -1.954 272 1HD2 LEU 32 HD21 LEU 32 11.130 -2.455 -2.114 273 2HD2 LEU 32 HD22 LEU 32 10.671 -2.279 -3.805 274 3HD2 LEU 32 HD23 LEU 32 11.901 -1.226 -3.118 275 H LYS 33 HN LYS 33 16.576 -3.165 -2.206 276 HA LYS 33 HA LYS 33 16.581 -5.708 -0.893 277 1HB LYS 33 HB2 LYS 33 18.119 -4.700 -2.746 278 2HB LYS 33 HB1 LYS 33 19.044 -4.049 -1.399 279 1HG LYS 33 HG2 LYS 33 19.119 -6.432 -0.470 280 2HG LYS 33 HG1 LYS 33 18.479 -6.956 -2.030 281 1HD LYS 33 HD2 LYS 33 20.752 -7.112 -2.479 282 2HD LYS 33 HD1 LYS 33 20.458 -5.446 -2.980 283 1HE LYS 33 HE2 LYS 33 22.362 -5.278 -1.594 284 2HE LYS 33 HE1 LYS 33 21.039 -4.834 -0.516 285 1HZ LYS 33 HZ1 LYS 33 22.869 -6.884 -0.179 286 2HZ LYS 33 HZ2 LYS 33 21.386 -7.638 -0.522 287 3HZ LYS 33 HZ3 LYS 33 21.509 -6.549 0.777 288 H GLU 34 HN GLU 34 17.464 -2.446 0.142 289 HA GLU 34 HA GLU 34 18.638 -3.390 2.657 290 1HB GLU 34 HB2 GLU 34 19.322 -1.241 1.588 291 2HB GLU 34 HB1 GLU 34 17.726 -0.591 1.962 292 1HG GLU 34 HG2 GLU 34 18.099 -0.903 4.343 293 2HG GLU 34 HG1 GLU 34 19.641 -1.700 4.030 294 H LEU 35 HN LEU 35 15.496 -2.173 1.644 295 HA LEU 35 HA LEU 35 14.424 -1.932 4.320 296 1HB LEU 35 HB2 LEU 35 13.438 -0.742 2.389 297 2HB LEU 35 HB1 LEU 35 13.014 -2.287 1.653 298 HG LEU 35 HG LEU 35 11.589 -2.790 3.666 299 1HD1 LEU 35 HD11 LEU 35 10.950 -0.620 4.958 300 2HD1 LEU 35 HD12 LEU 35 12.499 -0.003 4.388 301 3HD1 LEU 35 HD13 LEU 35 12.442 -1.443 5.403 302 1HD2 LEU 35 HD21 LEU 35 10.616 -1.889 1.601 303 2HD2 LEU 35 HD22 LEU 35 10.964 -0.246 2.138 304 3HD2 LEU 35 HD23 LEU 35 9.785 -1.229 3.009 305 H ILE 36 HN ILE 36 14.639 -4.517 1.944 306 HA ILE 36 HA ILE 36 12.837 -6.299 3.357 307 HB ILE 36 HB ILE 36 14.886 -6.734 1.167 308 1HG1 ILE 36 HG12 ILE 36 11.861 -6.908 1.120 309 2HG1 ILE 36 HG11 ILE 36 12.753 -5.445 0.703 310 1HG2 ILE 36 HG21 ILE 36 13.699 -8.977 0.915 311 2HG2 ILE 36 HG22 ILE 36 13.020 -8.697 2.517 312 3HG2 ILE 36 HG23 ILE 36 14.765 -8.836 2.312 313 1HD1 ILE 36 HD11 ILE 36 13.963 -6.699 -1.060 314 2HD1 ILE 36 HD12 ILE 36 12.219 -6.725 -1.326 315 3HD1 ILE 36 HD13 ILE 36 13.031 -8.140 -0.659 316 H ASN 37 HN ASN 37 16.334 -5.772 3.310 317 HA ASN 37 HA ASN 37 16.865 -8.063 5.054 318 1HB ASN 37 HB2 ASN 37 18.695 -5.778 4.279 319 2HB ASN 37 HB1 ASN 37 19.181 -7.327 4.968 320 1HD2 ASN 37 HD21 ASN 37 16.690 -8.222 3.054 321 2HD2 ASN 37 HD22 ASN 37 17.505 -8.508 1.593 322 H ASN 38 HN ASN 38 16.169 -4.686 5.477 323 HA ASN 38 HA ASN 38 17.169 -4.726 8.282 324 1HB ASN 38 HB2 ASN 38 15.987 -2.494 6.612 325 2HB ASN 38 HB1 ASN 38 16.594 -2.306 8.257 326 1HD2 ASN 38 HD21 ASN 38 18.572 -1.224 8.039 327 2HD2 ASN 38 HD22 ASN 38 19.811 -1.687 6.976 328 H GLU 39 HN GLU 39 14.049 -4.171 6.597 329 HA GLU 39 HA GLU 39 12.684 -4.335 9.263 330 1HB GLU 39 HB2 GLU 39 11.700 -3.390 6.555 331 2HB GLU 39 HB1 GLU 39 10.702 -3.472 8.007 332 1HG GLU 39 HG2 GLU 39 13.282 -1.892 7.818 333 2HG GLU 39 HG1 GLU 39 11.678 -1.194 7.592 334 H LEU 40 HN LEU 40 11.907 -5.452 5.942 335 HA LEU 40 HA LEU 40 10.306 -7.628 7.037 336 1HB LEU 40 HB2 LEU 40 11.168 -7.696 4.168 337 2HB LEU 40 HB1 LEU 40 9.581 -7.988 4.872 338 HG LEU 40 HG LEU 40 10.917 -5.295 4.481 339 1HD1 LEU 40 HD11 LEU 40 8.829 -4.961 3.057 340 2HD1 LEU 40 HD12 LEU 40 8.570 -6.700 3.198 341 3HD1 LEU 40 HD13 LEU 40 10.026 -6.086 2.417 342 1HD2 LEU 40 HD21 LEU 40 8.393 -4.661 5.211 343 2HD2 LEU 40 HD22 LEU 40 9.691 -4.821 6.388 344 3HD2 LEU 40 HD23 LEU 40 8.567 -6.154 6.132 345 H SER 41 HN SER 41 13.074 -7.701 7.944 346 HA SER 41 HA SER 41 14.288 -9.927 6.421 347 1HB SER 41 HB2 SER 41 15.374 -7.794 7.708 348 2HB SER 41 HB1 SER 41 15.505 -9.004 8.977 349 HG SER 41 HG SER 41 16.309 -9.439 6.290 350 H HIS 42 HN HIS 42 12.353 -9.372 9.253 351 HA HIS 42 HA HIS 42 13.006 -12.022 10.411 352 1HB HIS 42 HB2 HIS 42 10.858 -10.137 11.394 353 2HB HIS 42 HB1 HIS 42 11.782 -11.330 12.309 354 HD1 HIS 42 HD1 HIS 42 11.583 -7.867 12.114 355 HD2 HIS 42 HD2 HIS 42 14.820 -10.485 11.836 356 HE1 HIS 42 HE1 HIS 42 13.658 -6.502 12.623 357 HE2 HIS 42 HE2 HIS 42 15.632 -8.085 12.458 358 H PHE 43 HN PHE 43 10.658 -10.481 8.385 359 HA PHE 43 HA PHE 43 8.808 -12.822 8.606 360 1HB PHE 43 HB2 PHE 43 8.350 -10.031 8.426 361 2HB PHE 43 HB1 PHE 43 7.908 -10.648 6.839 362 HD1 PHE 43 HD1 PHE 43 7.177 -10.774 10.453 363 HD2 PHE 43 HD2 PHE 43 6.030 -12.180 6.559 364 HE1 PHE 43 HE1 PHE 43 5.036 -11.606 11.385 365 HE2 PHE 43 HE2 PHE 43 3.887 -13.013 7.492 366 HZ PHE 43 HZ PHE 43 3.392 -12.726 9.905 367 H LEU 44 HN LEU 44 10.439 -10.764 6.178 368 HA LEU 44 HA LEU 44 10.186 -12.987 4.195 369 1HB LEU 44 HB2 LEU 44 10.361 -10.018 4.021 370 2HB LEU 44 HB1 LEU 44 11.261 -10.886 2.782 371 HG LEU 44 HG LEU 44 9.164 -12.190 2.273 372 1HD1 LEU 44 HD11 LEU 44 7.058 -11.473 3.171 373 2HD1 LEU 44 HD12 LEU 44 7.793 -10.071 3.947 374 3HD1 LEU 44 HD13 LEU 44 8.134 -11.693 4.550 375 1HD2 LEU 44 HD21 LEU 44 8.798 -9.190 2.052 376 2HD2 LEU 44 HD22 LEU 44 8.179 -10.428 0.957 377 3HD2 LEU 44 HD23 LEU 44 9.911 -10.106 1.037 378 H GLU 45 HN GLU 45 11.991 -14.152 3.685 379 HA GLU 45 HA GLU 45 14.387 -14.006 5.147 380 1HB GLU 45 HB2 GLU 45 13.993 -14.984 2.299 381 2HB GLU 45 HB1 GLU 45 15.399 -15.337 3.305 382 1HG GLU 45 HG2 GLU 45 13.790 -16.316 5.013 383 2HG GLU 45 HG1 GLU 45 12.533 -16.187 3.782 384 H GLU 46 HN GLU 46 16.329 -12.882 4.853 385 HA GLU 46 HA GLU 46 16.180 -10.386 3.402 386 1HB GLU 46 HB2 GLU 46 18.735 -10.388 3.991 387 2HB GLU 46 HB1 GLU 46 17.560 -10.279 5.298 388 1HG GLU 46 HG2 GLU 46 17.821 -12.554 5.892 389 2HG GLU 46 HG1 GLU 46 18.615 -12.949 4.369 390 H ILE 47 HN ILE 47 16.094 -10.547 1.172 391 HA ILE 47 HA ILE 47 17.301 -12.597 -0.372 392 HB ILE 47 HB ILE 47 17.091 -11.039 -2.301 393 1HG1 ILE 47 HG12 ILE 47 16.218 -9.038 -0.189 394 2HG1 ILE 47 HG11 ILE 47 17.724 -8.960 -1.103 395 1HG2 ILE 47 HG21 ILE 47 14.689 -10.899 -0.460 396 2HG2 ILE 47 HG22 ILE 47 15.130 -12.324 -1.400 397 3HG2 ILE 47 HG23 ILE 47 14.681 -10.828 -2.222 398 1HD1 ILE 47 HD11 ILE 47 16.269 -9.020 -3.215 399 2HD1 ILE 47 HD12 ILE 47 16.224 -7.531 -2.276 400 3HD1 ILE 47 HD13 ILE 47 14.903 -8.691 -2.151 401 H LYS 48 HN LYS 48 19.346 -12.839 -1.231 402 HA LYS 48 HA LYS 48 21.432 -10.896 -0.302 403 1HB LYS 48 HB2 LYS 48 21.635 -13.787 -1.214 404 2HB LYS 48 HB1 LYS 48 23.012 -12.776 -0.771 405 1HG LYS 48 HG2 LYS 48 22.087 -12.478 1.488 406 2HG LYS 48 HG1 LYS 48 20.687 -13.459 1.053 407 1HD LYS 48 HD2 LYS 48 22.153 -15.389 0.632 408 2HD LYS 48 HD1 LYS 48 23.566 -14.414 1.034 409 1HE LYS 48 HE2 LYS 48 23.028 -15.646 3.014 410 2HE LYS 48 HE1 LYS 48 22.475 -13.995 3.300 411 1HZ LYS 48 HZ1 LYS 48 20.970 -16.324 3.390 412 2HZ LYS 48 HZ2 LYS 48 20.445 -15.472 2.017 413 3HZ LYS 48 HZ3 LYS 48 20.416 -14.728 3.544 414 H GLU 49 HN GLU 49 19.767 -12.114 -3.026 415 HA GLU 49 HA GLU 49 21.713 -10.801 -4.899 416 1HB GLU 49 HB2 GLU 49 19.883 -13.183 -5.292 417 2HB GLU 49 HB1 GLU 49 20.653 -12.333 -6.632 418 1HG GLU 49 HG2 GLU 49 22.855 -12.846 -5.789 419 2HG GLU 49 HG1 GLU 49 22.185 -13.494 -4.291 420 H GLN 50 HN GLN 50 20.877 -9.255 -6.258 421 HA GLN 50 HA GLN 50 18.255 -8.177 -5.614 422 1HB GLN 50 HB2 GLN 50 18.876 -6.642 -7.631 423 2HB GLN 50 HB1 GLN 50 19.854 -6.538 -6.167 424 1HG GLN 50 HG2 GLN 50 21.604 -7.839 -7.110 425 2HG GLN 50 HG1 GLN 50 20.582 -8.397 -8.435 426 1HE2 GLN 50 HE21 GLN 50 19.614 -6.352 -9.744 427 2HE2 GLN 50 HE22 GLN 50 20.765 -5.167 -10.137 428 H GLU 51 HN GLU 51 19.449 -10.458 -7.931 429 HA GLU 51 HA GLU 51 17.892 -10.195 -10.145 430 1HB GLU 51 HB2 GLU 51 19.482 -12.103 -9.568 431 2HB GLU 51 HB1 GLU 51 18.114 -12.855 -8.748 432 1HG GLU 51 HG2 GLU 51 16.818 -12.854 -10.815 433 2HG GLU 51 HG1 GLU 51 18.107 -11.989 -11.653 434 H VAL 52 HN VAL 52 16.700 -11.416 -7.035 435 HA VAL 52 HA VAL 52 14.048 -11.876 -8.150 436 HB VAL 52 HB VAL 52 13.361 -12.123 -5.746 437 1HG1 VAL 52 HG11 VAL 52 15.796 -13.631 -6.731 438 2HG1 VAL 52 HG12 VAL 52 14.105 -14.106 -6.880 439 3HG1 VAL 52 HG13 VAL 52 14.884 -14.105 -5.298 440 1HG2 VAL 52 HG21 VAL 52 14.883 -10.539 -4.712 441 2HG2 VAL 52 HG22 VAL 52 16.283 -11.435 -5.297 442 3HG2 VAL 52 HG23 VAL 52 15.237 -12.142 -4.070 443 H VAL 53 HN VAL 53 15.689 -9.311 -6.403 444 HA VAL 53 HA VAL 53 13.301 -7.714 -6.143 445 HB VAL 53 HB VAL 53 15.906 -7.566 -5.145 446 1HG1 VAL 53 HG11 VAL 53 16.905 -5.503 -5.848 447 2HG1 VAL 53 HG12 VAL 53 15.515 -5.095 -6.851 448 3HG1 VAL 53 HG13 VAL 53 16.576 -6.421 -7.315 449 1HG2 VAL 53 HG21 VAL 53 15.155 -5.634 -3.926 450 2HG2 VAL 53 HG22 VAL 53 13.787 -6.726 -4.112 451 3HG2 VAL 53 HG23 VAL 53 13.913 -5.290 -5.130 452 H ASP 54 HN ASP 54 15.516 -8.470 -8.655 453 HA ASP 54 HA ASP 54 14.817 -6.177 -10.345 454 1HB ASP 54 HB2 ASP 54 16.172 -8.829 -10.931 455 2HB ASP 54 HB1 ASP 54 15.884 -7.601 -12.160 456 H LYS 55 HN LYS 55 13.740 -9.459 -9.762 457 HA LYS 55 HA LYS 55 11.818 -9.429 -11.984 458 1HB LYS 55 HB2 LYS 55 12.696 -11.577 -11.439 459 2HB LYS 55 HB1 LYS 55 12.389 -11.356 -9.720 460 1HG LYS 55 HG2 LYS 55 9.985 -11.168 -11.486 461 2HG LYS 55 HG1 LYS 55 10.725 -12.762 -11.385 462 1HD LYS 55 HD2 LYS 55 10.328 -12.959 -9.084 463 2HD LYS 55 HD1 LYS 55 10.193 -11.218 -8.852 464 1HE LYS 55 HE2 LYS 55 8.019 -11.141 -9.763 465 2HE LYS 55 HE1 LYS 55 8.197 -12.706 -10.556 466 1HZ LYS 55 HZ1 LYS 55 8.209 -13.779 -8.413 467 2HZ LYS 55 HZ2 LYS 55 6.813 -12.822 -8.559 468 3HZ LYS 55 HZ3 LYS 55 8.120 -12.283 -7.617 469 H VAL 56 HN VAL 56 11.690 -9.150 -8.401 470 HA VAL 56 HA VAL 56 8.879 -8.960 -8.188 471 HB VAL 56 HB VAL 56 10.860 -8.984 -6.369 472 1HG1 VAL 56 HG11 VAL 56 11.490 -6.592 -6.999 473 2HG1 VAL 56 HG12 VAL 56 11.215 -6.886 -5.286 474 3HG1 VAL 56 HG13 VAL 56 9.974 -6.093 -6.255 475 1HG2 VAL 56 HG21 VAL 56 8.525 -9.426 -5.844 476 2HG2 VAL 56 HG22 VAL 56 8.137 -7.710 -5.977 477 3HG2 VAL 56 HG23 VAL 56 9.174 -8.283 -4.670 478 H MET 57 HN MET 57 11.317 -6.514 -8.927 479 HA MET 57 HA MET 57 9.525 -4.277 -8.962 480 1HB MET 57 HB2 MET 57 12.199 -4.844 -10.240 481 2HB MET 57 HB1 MET 57 11.338 -3.348 -10.598 482 1HG MET 57 HG2 MET 57 11.217 -2.865 -8.164 483 2HG MET 57 HG1 MET 57 12.161 -4.319 -7.847 484 1HE MET 57 HE1 MET 57 12.894 -1.698 -6.741 485 2HE MET 57 HE2 MET 57 12.418 -0.628 -8.065 486 3HE MET 57 HE3 MET 57 14.108 -0.702 -7.559 487 H GLU 58 HN GLU 58 10.417 -6.673 -11.402 488 HA GLU 58 HA GLU 58 9.162 -5.386 -13.632 489 1HB GLU 58 HB2 GLU 58 9.770 -8.286 -13.019 490 2HB GLU 58 HB1 GLU 58 8.996 -7.791 -14.523 491 1HG GLU 58 HG2 GLU 58 11.574 -6.539 -13.572 492 2HG GLU 58 HG1 GLU 58 11.557 -8.002 -14.557 493 H THR 59 HN THR 59 7.937 -7.294 -10.985 494 HA THR 59 HA THR 59 5.266 -7.543 -12.216 495 HB THR 59 HB THR 59 6.183 -8.265 -9.418 496 HG1 THR 59 HG1 THR 59 7.305 -9.529 -10.808 497 1HG2 THR 59 HG21 THR 59 4.168 -9.718 -9.479 498 2HG2 THR 59 HG22 THR 59 3.751 -9.036 -11.052 499 3HG2 THR 59 HG23 THR 59 3.759 -8.007 -9.619 500 H LEU 60 HN LEU 60 6.922 -5.575 -9.792 501 HA LEU 60 HA LEU 60 4.350 -4.257 -9.073 502 1HB LEU 60 HB2 LEU 60 7.092 -4.377 -7.895 503 2HB LEU 60 HB1 LEU 60 6.175 -2.904 -7.601 504 HG LEU 60 HG LEU 60 5.864 -4.577 -5.821 505 1HD1 LEU 60 HD11 LEU 60 3.166 -4.555 -7.115 506 2HD1 LEU 60 HD12 LEU 60 3.940 -2.988 -6.884 507 3HD1 LEU 60 HD13 LEU 60 3.651 -4.038 -5.502 508 1HD2 LEU 60 HD21 LEU 60 4.809 -6.686 -6.215 509 2HD2 LEU 60 HD22 LEU 60 6.109 -6.549 -7.399 510 3HD2 LEU 60 HD23 LEU 60 4.438 -6.264 -7.886 511 H ASP 61 HN ASP 61 7.533 -3.311 -10.508 512 HA ASP 61 HA ASP 61 6.948 -0.572 -10.789 513 1HB ASP 61 HB2 ASP 61 8.500 -2.327 -12.691 514 2HB ASP 61 HB1 ASP 61 8.577 -0.568 -12.597 515 H GLU 62 HN GLU 62 5.177 0.235 -11.625 516 HA GLU 62 HA GLU 62 3.754 -1.123 -13.808 517 1HB GLU 62 HB2 GLU 62 2.413 -0.059 -12.060 518 2HB GLU 62 HB1 GLU 62 3.210 1.485 -12.353 519 1HG GLU 62 HG2 GLU 62 1.769 0.072 -14.598 520 2HG GLU 62 HG1 GLU 62 0.869 1.047 -13.438 521 H ASP 63 HN ASP 63 5.565 1.855 -13.270 522 HA ASP 63 HA ASP 63 5.386 2.593 -16.111 523 1HB ASP 63 HB2 ASP 63 7.063 4.378 -15.364 524 2HB ASP 63 HB1 ASP 63 5.479 4.446 -14.592 525 H GLY 64 HN GLY 64 7.074 0.314 -14.364 526 1HA GLY 64 HA2 GLY 64 9.033 -0.912 -14.844 527 2HA GLY 64 HA1 GLY 64 8.852 -0.330 -16.502 528 H ASP 65 HN ASP 65 9.312 1.522 -13.518 529 HA ASP 65 HA ASP 65 11.565 2.959 -14.836 530 1HB ASP 65 HB2 ASP 65 11.332 4.526 -12.916 531 2HB ASP 65 HB1 ASP 65 9.824 4.332 -13.811 532 H GLY 66 HN GLY 66 11.181 0.313 -12.808 533 1HA GLY 66 HA2 GLY 66 12.832 -0.894 -11.611 534 2HA GLY 66 HA1 GLY 66 14.021 0.289 -12.166 535 H GLU 67 HN GLU 67 11.418 1.895 -10.916 536 HA GLU 67 HA GLU 67 12.550 2.042 -8.145 537 1HB GLU 67 HB2 GLU 67 11.580 4.350 -9.868 538 2HB GLU 67 HB1 GLU 67 12.094 4.475 -8.185 539 1HG GLU 67 HG2 GLU 67 14.332 3.576 -8.854 540 2HG GLU 67 HG1 GLU 67 13.806 3.624 -10.538 541 H CYS 68 HN CYS 68 10.868 2.877 -6.594 542 HA CYS 68 HA CYS 68 8.081 2.238 -7.534 543 1HB CYS 68 HB2 CYS 68 9.002 1.626 -4.734 544 2HB CYS 68 HB1 CYS 68 7.670 0.919 -5.650 545 HG CYS 68 HG CYS 68 9.523 -0.846 -5.813 546 H ASP 69 HN ASP 69 7.336 4.354 -7.667 547 HA ASP 69 HA ASP 69 7.860 6.471 -5.896 548 1HB ASP 69 HB2 ASP 69 6.487 6.458 -8.098 549 2HB ASP 69 HB1 ASP 69 5.112 6.031 -7.080 550 H PHE 70 HN PHE 70 5.435 7.281 -4.654 551 HA PHE 70 HA PHE 70 5.493 5.522 -2.338 552 1HB PHE 70 HB2 PHE 70 3.342 7.377 -2.054 553 2HB PHE 70 HB1 PHE 70 4.935 7.469 -1.322 554 HD1 PHE 70 HD1 PHE 70 2.675 9.188 -3.376 555 HD2 PHE 70 HD2 PHE 70 6.859 8.267 -3.041 556 HE1 PHE 70 HE1 PHE 70 3.221 11.167 -4.762 557 HE2 PHE 70 HE2 PHE 70 7.400 10.249 -4.433 558 HZ PHE 70 HZ PHE 70 5.584 11.698 -5.291 559 H GLN 71 HN GLN 71 3.153 6.129 -4.936 560 HA GLN 71 HA GLN 71 1.066 4.565 -3.696 561 1HB GLN 71 HB2 GLN 71 0.279 4.564 -6.271 562 2HB GLN 71 HB1 GLN 71 0.109 5.991 -5.251 563 1HG GLN 71 HG2 GLN 71 2.660 5.547 -6.795 564 2HG GLN 71 HG1 GLN 71 1.249 6.235 -7.596 565 1HE2 GLN 71 HE21 GLN 71 0.404 8.316 -6.718 566 2HE2 GLN 71 HE22 GLN 71 1.429 9.333 -5.827 567 H GLU 72 HN GLU 72 3.790 3.826 -5.786 568 HA GLU 72 HA GLU 72 2.793 1.090 -6.272 569 1HB GLU 72 HB2 GLU 72 3.944 2.363 -8.062 570 2HB GLU 72 HB1 GLU 72 5.376 2.484 -7.043 571 1HG GLU 72 HG2 GLU 72 5.209 -0.158 -6.989 572 2HG GLU 72 HG1 GLU 72 4.239 0.068 -8.442 573 H PHE 73 HN PHE 73 5.394 2.801 -4.554 574 HA PHE 73 HA PHE 73 6.755 0.592 -3.488 575 1HB PHE 73 HB2 PHE 73 7.640 2.798 -3.088 576 2HB PHE 73 HB1 PHE 73 6.163 3.298 -2.269 577 HD1 PHE 73 HD1 PHE 73 8.554 0.403 -2.006 578 HD2 PHE 73 HD2 PHE 73 6.390 3.500 0.046 579 HE1 PHE 73 HE1 PHE 73 9.486 -0.372 0.156 580 HE2 PHE 73 HE2 PHE 73 7.324 2.723 2.203 581 HZ PHE 73 HZ PHE 73 8.869 0.789 2.260 582 H MET 74 HN MET 74 3.802 2.167 -2.289 583 HA MET 74 HA MET 74 3.561 0.492 0.018 584 1HB MET 74 HB2 MET 74 2.201 2.634 -0.721 585 2HB MET 74 HB1 MET 74 1.153 1.470 -1.521 586 1HG MET 74 HG2 MET 74 0.087 1.290 0.487 587 2HG MET 74 HG1 MET 74 1.477 0.358 1.028 588 1HE MET 74 HE1 MET 74 -0.304 1.806 3.145 589 2HE MET 74 HE2 MET 74 -0.827 2.915 1.879 590 3HE MET 74 HE3 MET 74 -0.076 3.551 3.340 591 H ALA 75 HN ALA 75 2.396 0.247 -3.301 592 HA ALA 75 HA ALA 75 0.953 -2.179 -3.101 593 1HB ALA 75 HB1 ALA 75 2.759 -1.592 -5.450 594 2HB ALA 75 HB2 ALA 75 1.274 -0.685 -5.175 595 3HB ALA 75 HB3 ALA 75 1.206 -2.425 -5.451 596 H PHE 76 HN PHE 76 4.340 -1.681 -2.733 597 HA PHE 76 HA PHE 76 5.077 -4.454 -3.328 598 1HB PHE 76 HB2 PHE 76 6.856 -2.827 -3.497 599 2HB PHE 76 HB1 PHE 76 6.564 -2.256 -1.860 600 HD1 PHE 76 HD1 PHE 76 7.093 -5.595 -3.512 601 HD2 PHE 76 HD2 PHE 76 8.157 -2.942 -0.300 602 HE1 PHE 76 HE1 PHE 76 8.663 -7.292 -2.624 603 HE2 PHE 76 HE2 PHE 76 9.730 -4.641 0.581 604 HZ PHE 76 HZ PHE 76 9.984 -6.817 -0.581 605 H VAL 77 HN VAL 77 4.795 -2.606 -0.248 606 HA VAL 77 HA VAL 77 5.062 -4.857 1.465 607 HB VAL 77 HB VAL 77 3.448 -2.305 1.787 608 1HG1 VAL 77 HG11 VAL 77 3.926 -4.603 3.686 609 2HG1 VAL 77 HG12 VAL 77 2.397 -3.851 3.258 610 3HG1 VAL 77 HG13 VAL 77 3.548 -2.984 4.271 611 1HG2 VAL 77 HG21 VAL 77 5.323 -1.851 3.443 612 2HG2 VAL 77 HG22 VAL 77 5.811 -1.874 1.749 613 3HG2 VAL 77 HG23 VAL 77 6.144 -3.264 2.783 614 H SER 78 HN SER 78 2.377 -3.671 -0.418 615 HA SER 78 HA SER 78 0.302 -5.257 0.745 616 1HB SER 78 HB2 SER 78 0.044 -3.314 -0.869 617 2HB SER 78 HB1 SER 78 0.546 -4.410 -2.146 618 HG SER 78 HG SER 78 -1.670 -4.733 -0.393 619 H MET 79 HN MET 79 2.800 -5.835 -1.627 620 HA MET 79 HA MET 79 1.747 -8.385 -2.508 621 1HB MET 79 HB2 MET 79 3.273 -6.897 -3.869 622 2HB MET 79 HB1 MET 79 4.574 -7.341 -2.767 623 1HG MET 79 HG2 MET 79 3.769 -9.822 -3.375 624 2HG MET 79 HG1 MET 79 3.183 -9.012 -4.828 625 1HE MET 79 HE1 MET 79 4.465 -8.913 -6.788 626 2HE MET 79 HE2 MET 79 4.816 -10.555 -6.257 627 3HE MET 79 HE3 MET 79 6.107 -9.557 -6.920 628 H VAL 80 HN VAL 80 3.995 -7.322 -0.024 629 HA VAL 80 HA VAL 80 4.744 -10.109 0.574 630 HB VAL 80 HB VAL 80 6.410 -9.276 1.968 631 1HG1 VAL 80 HG11 VAL 80 7.441 -7.350 0.948 632 2HG1 VAL 80 HG12 VAL 80 5.897 -6.817 0.288 633 3HG1 VAL 80 HG13 VAL 80 6.654 -8.287 -0.323 634 1HG2 VAL 80 HG21 VAL 80 6.249 -6.963 3.047 635 2HG2 VAL 80 HG22 VAL 80 5.111 -8.169 3.643 636 3HG2 VAL 80 HG23 VAL 80 4.574 -6.936 2.512 637 H THR 81 HN THR 81 2.670 -7.475 1.686 638 HA THR 81 HA THR 81 1.862 -8.784 4.126 639 HB THR 81 HB THR 81 0.237 -6.866 2.427 640 HG1 THR 81 HG1 THR 81 1.235 -5.249 3.579 641 1HG2 THR 81 HG21 THR 81 0.188 -7.673 5.339 642 2HG2 THR 81 HG22 THR 81 -1.098 -7.861 4.146 643 3HG2 THR 81 HG23 THR 81 -0.656 -6.253 4.720 644 H THR 82 HN THR 82 0.717 -8.802 0.732 645 HA THR 82 HA THR 82 -1.643 -10.309 1.211 646 HB THR 82 HB THR 82 -1.233 -11.041 -1.237 647 HG1 THR 82 HG1 THR 82 0.515 -10.301 -2.185 648 1HG2 THR 82 HG21 THR 82 -1.715 -8.308 -0.139 649 2HG2 THR 82 HG22 THR 82 -2.698 -9.270 -1.242 650 3HG2 THR 82 HG23 THR 82 -1.297 -8.389 -1.852 651 H ALA 83 HN ALA 83 1.739 -11.404 0.642 652 HA ALA 83 HA ALA 83 1.115 -14.171 0.448 653 1HB ALA 83 HB1 ALA 83 3.563 -12.666 1.395 654 2HB ALA 83 HB2 ALA 83 3.330 -13.505 -0.139 655 3HB ALA 83 HB3 ALA 83 3.509 -14.428 1.353 656 H CYS 84 HN CYS 84 1.735 -12.034 3.212 657 HA CYS 84 HA CYS 84 1.677 -14.085 5.221 658 1HB CYS 84 HB2 CYS 84 2.493 -11.847 5.751 659 2HB CYS 84 HB1 CYS 84 0.916 -11.151 5.378 660 HG CYS 84 HG CYS 84 1.628 -12.706 7.945 661 H HIS 85 HN HIS 85 -0.817 -12.513 3.376 662 HA HIS 85 HA HIS 85 -2.959 -13.575 5.149 663 1HB HIS 85 HB2 HIS 85 -3.115 -11.247 4.248 664 2HB HIS 85 HB1 HIS 85 -3.183 -11.916 2.620 665 HD1 HIS 85 HD1 HIS 85 -5.156 -11.770 5.840 666 HD2 HIS 85 HD2 HIS 85 -5.667 -13.021 1.900 667 HE1 HIS 85 HE1 HIS 85 -7.621 -12.283 5.566 668 H GLU 86 HN GLU 86 -1.539 -14.025 1.945 669 HA GLU 86 HA GLU 86 -3.599 -15.918 1.100 670 1HB GLU 86 HB2 GLU 86 -2.379 -14.602 -0.577 671 2HB GLU 86 HB1 GLU 86 -0.858 -15.318 -0.047 672 1HG GLU 86 HG2 GLU 86 -1.551 -17.513 -0.770 673 2HG GLU 86 HG1 GLU 86 -3.188 -16.940 -1.099 674 H PHE 87 HN PHE 87 -0.252 -16.129 2.271 675 HA PHE 87 HA PHE 87 0.048 -18.942 2.068 676 1HB PHE 87 HB2 PHE 87 1.893 -17.354 2.638 677 2HB PHE 87 HB1 PHE 87 1.175 -17.138 4.234 678 HD1 PHE 87 HD1 PHE 87 2.446 -19.780 1.908 679 HD2 PHE 87 HD2 PHE 87 1.709 -18.631 5.981 680 HE1 PHE 87 HE1 PHE 87 3.599 -21.830 2.695 681 HE2 PHE 87 HE2 PHE 87 2.862 -20.681 6.768 682 HZ PHE 87 HZ PHE 87 3.807 -22.279 5.124 683 H PHE 88 HN PHE 88 -1.381 -16.941 4.633 684 HA PHE 88 HA PHE 88 -1.896 -19.181 6.401 685 1HB PHE 88 HB2 PHE 88 -1.752 -16.779 7.135 686 2HB PHE 88 HB1 PHE 88 -3.294 -16.492 6.329 687 HD1 PHE 88 HD1 PHE 88 -1.671 -18.707 8.874 688 HD2 PHE 88 HD2 PHE 88 -5.313 -16.910 7.472 689 HE1 PHE 88 HE1 PHE 88 -2.866 -19.566 10.871 690 HE2 PHE 88 HE2 PHE 88 -6.505 -17.768 9.469 691 HZ PHE 88 HZ PHE 88 -5.282 -19.096 11.169 692 H GLU 89 HN GLU 89 -3.827 -17.399 4.001 693 HA GLU 89 HA GLU 89 -6.177 -19.096 4.476 694 1HB GLU 89 HB2 GLU 89 -5.562 -16.968 2.406 695 2HB GLU 89 HB1 GLU 89 -7.102 -17.824 2.502 696 1HG GLU 89 HG2 GLU 89 -7.259 -17.062 4.915 697 2HG GLU 89 HG1 GLU 89 -5.865 -16.029 4.604 698 H HIS 90 HN HIS 90 -3.422 -20.050 3.349 699 HA HIS 90 HA HIS 90 -3.974 -20.969 0.668 700 1HB HIS 90 HB2 HIS 90 -1.673 -20.784 1.602 701 2HB HIS 90 HB1 HIS 90 -2.040 -22.105 2.712 702 HD1 HIS 90 HD1 HIS 90 -1.762 -24.448 1.834 703 HD2 HIS 90 HD2 HIS 90 -1.812 -21.623 -1.235 704 HE1 HIS 90 HE1 HIS 90 -1.208 -25.697 -0.301 705 HE2 HIS 90 HE2 HIS 90 -1.237 -23.987 -2.175 706 H GLU 91 HN GLU 91 -5.860 -22.149 0.490 707 HA GLU 91 HA GLU 91 -6.661 -24.133 2.453 708 1HB GLU 91 HB2 GLU 91 -8.422 -24.691 0.814 709 2HB GLU 91 HB1 GLU 91 -8.308 -22.945 1.043 710 1HG GLU 91 HG2 GLU 91 -6.782 -22.874 -0.975 711 2HG GLU 91 HG1 GLU 91 -7.186 -24.569 -1.254 712 1H MET 0 HT1 MET 0 12.458 -2.952 15.426 713 2H MET 0 HT2 MET 0 12.250 -2.294 16.979 714 3H MET 0 HT3 MET 0 12.173 -1.290 15.611 715 HA MET 0 HA MET 0 10.239 -3.398 16.392 716 1HB MET 0 HB2 MET 0 8.723 -1.271 16.187 717 2HB MET 0 HB1 MET 0 9.726 -1.463 17.626 718 1HG MET 0 HG2 MET 0 11.354 0.073 16.831 719 2HG MET 0 HG1 MET 0 10.713 0.027 15.190 720 1HE MET 0 HE1 MET 0 10.934 2.554 15.234 721 2HE MET 0 HE2 MET 0 11.347 2.704 16.941 722 3HE MET 0 HE3 MET 0 10.032 3.668 16.273 723 H SER 1 HN SER 1 9.109 -4.278 14.714 724 HA SER 1 HA SER 1 9.740 -3.419 11.981 725 1HB SER 1 HB2 SER 1 8.014 -5.282 11.453 726 2HB SER 1 HB1 SER 1 9.552 -5.752 12.167 727 HG SER 1 HG SER 1 7.746 -5.077 14.063 728 H GLU 2 HN GLU 2 8.811 -1.268 12.288 729 HA GLU 2 HA GLU 2 6.141 -0.644 12.891 730 1HB GLU 2 HB2 GLU 2 8.073 0.602 10.942 731 2HB GLU 2 HB1 GLU 2 6.458 1.269 11.189 732 1HG GLU 2 HG2 GLU 2 8.334 0.707 13.490 733 2HG GLU 2 HG1 GLU 2 8.347 2.248 12.632 734 H LEU 3 HN LEU 3 7.464 -1.987 9.895 735 HA LEU 3 HA LEU 3 4.974 -1.677 8.438 736 1HB LEU 3 HB2 LEU 3 7.268 -3.580 7.877 737 2HB LEU 3 HB1 LEU 3 5.965 -3.173 6.767 738 HG LEU 3 HG LEU 3 8.055 -1.279 7.850 739 1HD1 LEU 3 HD11 LEU 3 9.003 -2.596 6.110 740 2HD1 LEU 3 HD12 LEU 3 8.531 -1.082 5.342 741 3HD1 LEU 3 HD13 LEU 3 7.527 -2.515 5.148 742 1HD2 LEU 3 HD21 LEU 3 5.496 -0.825 6.324 743 2HD2 LEU 3 HD22 LEU 3 6.877 0.221 6.004 744 3HD2 LEU 3 HD23 LEU 3 6.197 0.134 7.627 745 H GLU 4 HN GLU 4 6.014 -3.910 10.850 746 HA GLU 4 HA GLU 4 4.295 -6.099 9.964 747 1HB GLU 4 HB2 GLU 4 6.160 -6.664 11.406 748 2HB GLU 4 HB1 GLU 4 5.622 -5.514 12.631 749 1HG GLU 4 HG2 GLU 4 3.675 -6.828 13.124 750 2HG GLU 4 HG1 GLU 4 3.934 -7.853 11.713 751 H LYS 5 HN LYS 5 4.059 -3.272 11.995 752 HA LYS 5 HA LYS 5 1.529 -3.904 13.222 753 1HB LYS 5 HB2 LYS 5 3.215 -1.447 12.814 754 2HB LYS 5 HB1 LYS 5 1.540 -1.220 13.317 755 1HG LYS 5 HG2 LYS 5 1.896 -2.118 15.410 756 2HG LYS 5 HG1 LYS 5 3.077 -3.287 14.834 757 1HD LYS 5 HD2 LYS 5 3.885 -0.396 14.758 758 2HD LYS 5 HD1 LYS 5 3.785 -1.162 16.339 759 1HE LYS 5 HE2 LYS 5 5.281 -2.470 14.062 760 2HE LYS 5 HE1 LYS 5 6.054 -1.291 15.125 761 1HZ LYS 5 HZ1 LYS 5 5.067 -2.769 16.980 762 2HZ LYS 5 HZ2 LYS 5 6.487 -3.264 16.186 763 3HZ LYS 5 HZ3 LYS 5 4.991 -3.956 15.770 764 H ALA 6 HN ALA 6 2.475 -2.066 10.329 765 HA ALA 6 HA ALA 6 -0.185 -1.361 9.560 766 1HB ALA 6 HB1 ALA 6 2.298 -1.703 7.855 767 2HB ALA 6 HB2 ALA 6 1.834 -0.222 8.690 768 3HB ALA 6 HB3 ALA 6 0.840 -0.840 7.375 769 H MET 7 HN MET 7 1.944 -4.032 8.591 770 HA MET 7 HA MET 7 0.263 -5.211 6.660 771 1HB MET 7 HB2 MET 7 2.124 -6.516 8.672 772 2HB MET 7 HB1 MET 7 1.362 -7.391 7.347 773 1HG MET 7 HG2 MET 7 2.678 -6.364 5.735 774 2HG MET 7 HG1 MET 7 2.902 -4.899 6.687 775 1HE MET 7 HE1 MET 7 5.835 -6.528 5.392 776 2HE MET 7 HE2 MET 7 6.410 -5.447 6.659 777 3HE MET 7 HE3 MET 7 5.018 -4.988 5.686 778 H VAL 8 HN VAL 8 0.258 -5.597 10.192 779 HA VAL 8 HA VAL 8 -1.890 -7.562 10.117 780 HB VAL 8 HB VAL 8 -0.673 -5.919 12.353 781 1HG1 VAL 8 HG11 VAL 8 -2.914 -7.947 12.396 782 2HG1 VAL 8 HG12 VAL 8 -2.900 -6.324 13.089 783 3HG1 VAL 8 HG13 VAL 8 -1.933 -7.605 13.822 784 1HG2 VAL 8 HG21 VAL 8 -0.543 -8.867 11.639 785 2HG2 VAL 8 HG22 VAL 8 0.257 -8.111 13.017 786 3HG2 VAL 8 HG23 VAL 8 0.744 -7.690 11.375 787 H ALA 9 HN ALA 9 -1.696 -4.088 10.835 788 HA ALA 9 HA ALA 9 -4.455 -3.761 11.482 789 1HB ALA 9 HB1 ALA 9 -2.380 -1.856 10.381 790 2HB ALA 9 HB2 ALA 9 -2.962 -1.984 12.041 791 3HB ALA 9 HB3 ALA 9 -4.019 -1.349 10.783 792 H LEU 10 HN LEU 10 -2.748 -3.887 8.379 793 HA LEU 10 HA LEU 10 -5.096 -2.959 6.890 794 1HB LEU 10 HB2 LEU 10 -2.335 -3.917 6.237 795 2HB LEU 10 HB1 LEU 10 -3.541 -3.986 4.954 796 HG LEU 10 HG LEU 10 -3.432 -1.414 6.496 797 1HD1 LEU 10 HD11 LEU 10 -1.153 -2.428 4.828 798 2HD1 LEU 10 HD12 LEU 10 -1.113 -1.552 6.350 799 3HD1 LEU 10 HD13 LEU 10 -1.521 -0.704 4.860 800 1HD2 LEU 10 HD21 LEU 10 -4.939 -1.839 4.535 801 2HD2 LEU 10 HD22 LEU 10 -3.508 -2.024 3.520 802 3HD2 LEU 10 HD23 LEU 10 -3.852 -0.472 4.284 803 H ILE 11 HN ILE 11 -3.474 -6.139 7.245 804 HA ILE 11 HA ILE 11 -5.100 -7.691 5.617 805 HB ILE 11 HB ILE 11 -3.860 -8.321 8.305 806 1HG1 ILE 11 HG12 ILE 11 -3.223 -9.289 5.505 807 2HG1 ILE 11 HG11 ILE 11 -2.457 -7.888 6.240 808 1HG2 ILE 11 HG21 ILE 11 -5.470 -10.101 6.458 809 2HG2 ILE 11 HG22 ILE 11 -5.684 -9.864 8.192 810 3HG2 ILE 11 HG23 ILE 11 -4.287 -10.754 7.590 811 1HD1 ILE 11 HD11 ILE 11 -1.809 -9.438 8.176 812 2HD1 ILE 11 HD12 ILE 11 -0.976 -9.716 6.646 813 3HD1 ILE 11 HD13 ILE 11 -2.302 -10.773 7.133 814 H ASP 12 HN ASP 12 -5.895 -6.273 8.732 815 HA ASP 12 HA ASP 12 -8.358 -7.784 9.040 816 1HB ASP 12 HB2 ASP 12 -7.333 -5.258 10.357 817 2HB ASP 12 HB1 ASP 12 -8.868 -6.015 10.783 818 H VAL 13 HN VAL 13 -7.656 -4.406 8.109 819 HA VAL 13 HA VAL 13 -10.423 -3.935 7.342 820 HB VAL 13 HB VAL 13 -8.008 -2.299 6.527 821 1HG1 VAL 13 HG11 VAL 13 -9.725 -0.451 6.714 822 2HG1 VAL 13 HG12 VAL 13 -10.954 -1.704 6.903 823 3HG1 VAL 13 HG13 VAL 13 -10.020 -1.601 5.409 824 1HG2 VAL 13 HG21 VAL 13 -8.382 -1.027 8.602 825 2HG2 VAL 13 HG22 VAL 13 -7.946 -2.695 8.956 826 3HG2 VAL 13 HG23 VAL 13 -9.626 -2.174 9.088 827 H PHE 14 HN PHE 14 -7.535 -5.109 5.767 828 HA PHE 14 HA PHE 14 -8.496 -4.635 3.057 829 1HB PHE 14 HB2 PHE 14 -6.171 -4.912 3.152 830 2HB PHE 14 HB1 PHE 14 -6.282 -6.269 4.263 831 HD1 PHE 14 HD1 PHE 14 -7.525 -5.374 0.830 832 HD2 PHE 14 HD2 PHE 14 -5.786 -8.373 3.371 833 HE1 PHE 14 HE1 PHE 14 -7.444 -6.952 -1.082 834 HE2 PHE 14 HE2 PHE 14 -5.704 -9.946 1.459 835 HZ PHE 14 HZ PHE 14 -6.533 -9.237 -0.768 836 H HIS 15 HN HIS 15 -8.461 -7.517 5.176 837 HA HIS 15 HA HIS 15 -9.880 -9.126 3.221 838 1HB HIS 15 HB2 HIS 15 -8.323 -9.900 5.163 839 2HB HIS 15 HB1 HIS 15 -9.760 -9.756 6.171 840 HD1 HIS 15 HD1 HIS 15 -10.895 -11.960 6.386 841 HD2 HIS 15 HD2 HIS 15 -9.211 -11.480 2.603 842 HE1 HIS 15 HE1 HIS 15 -11.452 -14.059 5.082 843 H GLN 16 HN GLN 16 -10.850 -7.149 5.989 844 HA GLN 16 HA GLN 16 -13.539 -8.162 6.158 845 1HB GLN 16 HB2 GLN 16 -12.223 -5.588 7.035 846 2HB GLN 16 HB1 GLN 16 -13.953 -5.854 7.255 847 1HG GLN 16 HG2 GLN 16 -13.546 -7.823 8.598 848 2HG GLN 16 HG1 GLN 16 -11.818 -7.754 8.254 849 1HE2 GLN 16 HE21 GLN 16 -13.567 -4.753 8.813 850 2HE2 GLN 16 HE22 GLN 16 -12.917 -4.440 10.349 851 H TYR 17 HN TYR 17 -12.061 -5.537 4.287 852 HA TYR 17 HA TYR 17 -14.693 -4.852 3.098 853 1HB TYR 17 HB2 TYR 17 -11.918 -3.678 2.906 854 2HB TYR 17 HB1 TYR 17 -13.184 -3.207 1.771 855 HD1 TYR 17 HD1 TYR 17 -12.447 -3.499 5.428 856 HD2 TYR 17 HD2 TYR 17 -14.800 -1.598 2.378 857 HE1 TYR 17 HE1 TYR 17 -13.402 -1.963 7.123 858 HE2 TYR 17 HE2 TYR 17 -15.756 -0.063 4.073 859 HH TYR 17 HH TYR 17 -14.631 -0.115 7.442 860 H SER 18 HN SER 18 -11.467 -5.719 1.783 861 HA SER 18 HA SER 18 -12.308 -6.283 -0.837 862 1HB SER 18 HB2 SER 18 -10.274 -7.988 0.614 863 2HB SER 18 HB1 SER 18 -10.307 -7.541 -1.089 864 HG SER 18 HG SER 18 -9.944 -5.785 1.117 865 H GLY 19 HN GLY 19 -12.817 -8.058 2.120 866 1HA GLY 19 HA2 GLY 19 -13.870 -10.430 0.649 867 2HA GLY 19 HA1 GLY 19 -13.503 -10.372 2.371 868 H ARG 20 HN ARG 20 -15.092 -7.523 1.740 869 HA ARG 20 HA ARG 20 -17.451 -8.250 3.158 870 1HB ARG 20 HB2 ARG 20 -16.688 -5.921 2.885 871 2HB ARG 20 HB1 ARG 20 -17.035 -6.000 1.163 872 1HG ARG 20 HG2 ARG 20 -19.456 -6.523 1.816 873 2HG ARG 20 HG1 ARG 20 -19.000 -6.098 3.465 874 1HD ARG 20 HD2 ARG 20 -18.055 -3.912 2.347 875 2HD ARG 20 HD1 ARG 20 -19.143 -4.347 1.028 876 HE ARG 20 HE ARG 20 -20.933 -3.664 2.397 877 1HH1 ARG 20 HH21 ARG 20 -18.122 -4.431 4.238 878 2HH1 ARG 20 HH22 ARG 20 -18.813 -3.943 5.749 879 1HH2 ARG 20 HH11 ARG 20 -21.854 -3.018 4.361 880 2HH2 ARG 20 HH12 ARG 20 -20.927 -3.144 5.819 881 H GLU 21 HN GLU 21 -16.755 -8.081 -0.299 882 HA GLU 21 HA GLU 21 -18.926 -9.996 -0.832 883 1HB GLU 21 HB2 GLU 21 -19.908 -8.412 -2.611 884 2HB GLU 21 HB1 GLU 21 -20.302 -8.065 -0.927 885 1HG GLU 21 HG2 GLU 21 -18.694 -6.306 -0.807 886 2HG GLU 21 HG1 GLU 21 -17.948 -6.791 -2.330 887 H GLY 22 HN GLY 22 -18.956 -10.611 -3.185 888 1HA GLY 22 HA2 GLY 22 -17.880 -10.771 -5.336 889 2HA GLY 22 HA1 GLY 22 -16.479 -9.934 -4.675 890 H ASP 23 HN ASP 23 -15.249 -11.725 -5.682 891 HA ASP 23 HA ASP 23 -15.439 -14.444 -5.123 892 1HB ASP 23 HB2 ASP 23 -13.712 -13.474 -6.601 893 2HB ASP 23 HB1 ASP 23 -12.889 -12.797 -5.196 894 H LYS 24 HN LYS 24 -12.935 -12.639 -3.369 895 HA LYS 24 HA LYS 24 -14.035 -13.064 -0.763 896 1HB LYS 24 HB2 LYS 24 -13.026 -15.420 -1.895 897 2HB LYS 24 HB1 LYS 24 -11.700 -14.874 -0.883 898 1HG LYS 24 HG2 LYS 24 -14.561 -15.162 0.090 899 2HG LYS 24 HG1 LYS 24 -13.318 -16.394 0.296 900 1HD LYS 24 HD2 LYS 24 -11.927 -14.789 1.552 901 2HD LYS 24 HD1 LYS 24 -13.172 -13.555 1.355 902 1HE LYS 24 HE2 LYS 24 -13.679 -16.231 2.678 903 2HE LYS 24 HE1 LYS 24 -13.244 -14.775 3.573 904 1HZ LYS 24 HZ1 LYS 24 -15.446 -14.597 1.658 905 2HZ LYS 24 HZ2 LYS 24 -15.230 -13.796 3.140 906 3HZ LYS 24 HZ3 LYS 24 -15.738 -15.418 3.114 907 H HIS 25 HN HIS 25 -11.717 -11.901 -2.908 908 HA HIS 25 HA HIS 25 -10.509 -10.272 -0.781 909 1HB HIS 25 HB2 HIS 25 -8.572 -11.755 -2.553 910 2HB HIS 25 HB1 HIS 25 -8.278 -10.964 -1.008 911 HD2 HIS 25 HD2 HIS 25 -9.133 -14.461 -2.364 912 HE1 HIS 25 HE1 HIS 25 -9.598 -14.650 1.825 913 HE2 HIS 25 HE2 HIS 25 -9.461 -16.019 -0.302 914 H LYS 26 HN LYS 26 -12.148 -9.400 -2.882 915 HA LYS 26 HA LYS 26 -10.184 -7.933 -4.606 916 1HB LYS 26 HB2 LYS 26 -11.604 -9.732 -5.779 917 2HB LYS 26 HB1 LYS 26 -12.990 -8.704 -5.437 918 1HG LYS 26 HG2 LYS 26 -12.398 -7.925 -7.554 919 2HG LYS 26 HG1 LYS 26 -11.493 -6.814 -6.531 920 1HD LYS 26 HD2 LYS 26 -9.827 -7.485 -8.019 921 2HD LYS 26 HD1 LYS 26 -9.592 -8.660 -6.727 922 1HE LYS 26 HE2 LYS 26 -11.092 -10.241 -7.974 923 2HE LYS 26 HE1 LYS 26 -11.139 -9.080 -9.299 924 1HZ LYS 26 HZ1 LYS 26 -8.514 -9.839 -8.280 925 2HZ LYS 26 HZ2 LYS 26 -9.006 -9.494 -9.868 926 3HZ LYS 26 HZ3 LYS 26 -9.356 -11.006 -9.178 927 H LEU 27 HN LEU 27 -10.642 -5.731 -4.863 928 HA LEU 27 HA LEU 27 -12.577 -4.643 -2.901 929 1HB LEU 27 HB2 LEU 27 -10.043 -3.973 -3.285 930 2HB LEU 27 HB1 LEU 27 -10.708 -2.954 -4.550 931 HG LEU 27 HG LEU 27 -10.378 -1.795 -2.366 932 1HD1 LEU 27 HD11 LEU 27 -12.587 -0.699 -2.293 933 2HD1 LEU 27 HD12 LEU 27 -13.193 -1.935 -3.379 934 3HD1 LEU 27 HD13 LEU 27 -11.926 -0.853 -3.915 935 1HD2 LEU 27 HD21 LEU 27 -11.222 -3.965 -1.099 936 2HD2 LEU 27 HD22 LEU 27 -12.766 -3.135 -1.208 937 3HD2 LEU 27 HD23 LEU 27 -11.413 -2.359 -0.403 938 H LYS 28 HN LYS 28 -14.482 -3.890 -3.487 939 HA LYS 28 HA LYS 28 -15.002 -3.147 -6.353 940 1HB LYS 28 HB2 LYS 28 -17.047 -3.949 -4.260 941 2HB LYS 28 HB1 LYS 28 -17.327 -3.706 -5.984 942 1HG LYS 28 HG2 LYS 28 -15.674 -5.552 -6.436 943 2HG LYS 28 HG1 LYS 28 -15.638 -5.868 -4.702 944 1HD LYS 28 HD2 LYS 28 -17.963 -6.453 -4.668 945 2HD LYS 28 HD1 LYS 28 -18.204 -5.849 -6.308 946 1HE LYS 28 HE2 LYS 28 -16.165 -8.010 -5.895 947 2HE LYS 28 HE1 LYS 28 -17.872 -8.452 -5.855 948 1HZ LYS 28 HZ1 LYS 28 -16.268 -7.912 -8.085 949 2HZ LYS 28 HZ2 LYS 28 -17.475 -6.718 -8.008 950 3HZ LYS 28 HZ3 LYS 28 -17.903 -8.362 -8.049 951 H LYS 29 HN LYS 29 -16.373 -1.224 -6.660 952 HA LYS 29 HA LYS 29 -15.613 1.029 -5.242 953 1HB LYS 29 HB2 LYS 29 -16.945 0.971 -7.386 954 2HB LYS 29 HB1 LYS 29 -18.382 0.668 -6.410 955 1HG LYS 29 HG2 LYS 29 -18.299 2.791 -5.393 956 2HG LYS 29 HG1 LYS 29 -16.602 3.031 -5.803 957 1HD LYS 29 HD2 LYS 29 -18.156 4.390 -7.218 958 2HD LYS 29 HD1 LYS 29 -17.146 3.289 -8.155 959 1HE LYS 29 HE2 LYS 29 -19.628 3.336 -8.779 960 2HE LYS 29 HE1 LYS 29 -18.943 1.743 -8.453 961 1HZ LYS 29 HZ1 LYS 29 -19.768 1.954 -6.154 962 2HZ LYS 29 HZ2 LYS 29 -21.016 1.955 -7.307 963 3HZ LYS 29 HZ3 LYS 29 -20.529 3.409 -6.578 964 H SER 30 HN SER 30 -18.518 -0.935 -4.586 965 HA SER 30 HA SER 30 -19.688 0.489 -2.512 966 1HB SER 30 HB2 SER 30 -19.289 -2.512 -2.621 967 2HB SER 30 HB1 SER 30 -20.464 -1.682 -1.605 968 HG SER 30 HG SER 30 -20.470 -1.009 -4.294 969 H GLU 31 HN GLU 31 -16.547 -0.745 -2.504 970 HA GLU 31 HA GLU 31 -16.378 -0.727 0.498 971 1HB GLU 31 HB2 GLU 31 -14.540 -1.760 -1.631 972 2HB GLU 31 HB1 GLU 31 -14.080 -1.679 0.061 973 1HG GLU 31 HG2 GLU 31 -15.466 -3.433 0.656 974 2HG GLU 31 HG1 GLU 31 -16.704 -2.993 -0.518 975 H LEU 32 HN LEU 32 -15.104 0.749 -2.439 976 HA LEU 32 HA LEU 32 -13.201 2.442 -1.211 977 1HB LEU 32 HB2 LEU 32 -14.070 1.916 -3.773 978 2HB LEU 32 HB1 LEU 32 -14.673 3.545 -3.540 979 HG LEU 32 HG LEU 32 -12.469 3.544 -4.571 980 1HD1 LEU 32 HD11 LEU 32 -13.235 5.161 -2.509 981 2HD1 LEU 32 HD12 LEU 32 -11.763 5.394 -3.451 982 3HD1 LEU 32 HD13 LEU 32 -11.695 4.562 -1.897 983 1HD2 LEU 32 HD21 LEU 32 -10.628 2.408 -3.814 984 2HD2 LEU 32 HD22 LEU 32 -11.862 1.349 -3.142 985 3HD2 LEU 32 HD23 LEU 32 -11.083 2.555 -2.118 986 H LYS 33 HN LYS 33 -16.538 3.261 -2.226 987 HA LYS 33 HA LYS 33 -16.551 5.767 -0.842 988 1HB LYS 33 HB2 LYS 33 -18.077 4.813 -2.732 989 2HB LYS 33 HB1 LYS 33 -19.011 4.123 -1.411 990 1HG LYS 33 HG2 LYS 33 -19.094 6.479 -0.416 991 2HG LYS 33 HG1 LYS 33 -18.440 7.048 -1.954 992 1HD LYS 33 HD2 LYS 33 -20.709 7.219 -2.417 993 2HD LYS 33 HD1 LYS 33 -20.411 5.569 -2.966 994 1HE LYS 33 HE2 LYS 33 -22.328 5.360 -1.604 995 2HE LYS 33 HE1 LYS 33 -21.014 4.881 -0.529 996 1HZ LYS 33 HZ1 LYS 33 -21.926 7.685 -0.674 997 2HZ LYS 33 HZ2 LYS 33 -21.064 6.910 0.568 998 3HZ LYS 33 HZ3 LYS 33 -22.710 6.562 0.327 999 H GLU 34 HN GLU 34 -17.440 2.478 0.095 1000 HA GLU 34 HA GLU 34 -18.634 3.352 2.625 1001 1HB GLU 34 HB2 GLU 34 -19.311 1.233 1.491 1002 2HB GLU 34 HB1 GLU 34 -17.717 0.574 1.856 1003 1HG GLU 34 HG2 GLU 34 -18.101 0.813 4.243 1004 2HG GLU 34 HG1 GLU 34 -19.640 1.624 3.947 1005 H LEU 35 HN LEU 35 -15.483 2.162 1.603 1006 HA LEU 35 HA LEU 35 -14.433 1.847 4.278 1007 1HB LEU 35 HB2 LEU 35 -13.431 0.709 2.326 1008 2HB LEU 35 HB1 LEU 35 -13.004 2.272 1.633 1009 HG LEU 35 HG LEU 35 -11.591 2.727 3.666 1010 1HD1 LEU 35 HD11 LEU 35 -10.959 0.533 4.913 1011 2HD1 LEU 35 HD12 LEU 35 -12.498 -0.082 4.310 1012 3HD1 LEU 35 HD13 LEU 35 -12.462 1.334 5.360 1013 1HD2 LEU 35 HD21 LEU 35 -10.955 0.220 2.084 1014 2HD2 LEU 35 HD22 LEU 35 -9.781 1.184 2.982 1015 3HD2 LEU 35 HD23 LEU 35 -10.607 1.875 1.584 1016 H ILE 36 HN ILE 36 -14.632 4.496 1.974 1017 HA ILE 36 HA ILE 36 -12.840 6.241 3.448 1018 HB ILE 36 HB ILE 36 -14.874 6.732 1.256 1019 1HG1 ILE 36 HG12 ILE 36 -11.848 6.909 1.237 1020 2HG1 ILE 36 HG11 ILE 36 -12.738 5.460 0.771 1021 1HG2 ILE 36 HG21 ILE 36 -13.708 8.985 1.068 1022 2HG2 ILE 36 HG22 ILE 36 -13.009 8.666 2.656 1023 3HG2 ILE 36 HG23 ILE 36 -14.758 8.801 2.472 1024 1HD1 ILE 36 HD11 ILE 36 -13.008 8.194 -0.513 1025 2HD1 ILE 36 HD12 ILE 36 -13.932 6.762 -0.964 1026 3HD1 ILE 36 HD13 ILE 36 -12.186 6.801 -1.215 1027 H ASN 37 HN ASN 37 -16.338 5.715 3.360 1028 HA ASN 37 HA ASN 37 -16.875 7.957 5.164 1029 1HB ASN 37 HB2 ASN 37 -18.708 5.699 4.317 1030 2HB ASN 37 HB1 ASN 37 -19.192 7.232 5.042 1031 1HD2 ASN 37 HD21 ASN 37 -16.686 8.170 3.168 1032 2HD2 ASN 37 HD22 ASN 37 -17.493 8.496 1.710 1033 H ASN 38 HN ASN 38 -16.189 4.566 5.497 1034 HA ASN 38 HA ASN 38 -17.207 4.532 8.296 1035 1HB ASN 38 HB2 ASN 38 -16.012 2.344 6.578 1036 2HB ASN 38 HB1 ASN 38 -16.635 2.116 8.213 1037 1HD2 ASN 38 HD21 ASN 38 -18.610 1.037 7.944 1038 2HD2 ASN 38 HD22 ASN 38 -19.837 1.528 6.880 1039 H GLU 39 HN GLU 39 -14.074 4.024 6.617 1040 HA GLU 39 HA GLU 39 -12.731 4.115 9.297 1041 1HB GLU 39 HB2 GLU 39 -11.720 3.243 6.575 1042 2HB GLU 39 HB1 GLU 39 -10.738 3.285 8.039 1043 1HG GLU 39 HG2 GLU 39 -13.318 1.715 7.786 1044 2HG GLU 39 HG1 GLU 39 -11.714 1.020 7.549 1045 H LEU 40 HN LEU 40 -11.928 5.322 6.012 1046 HA LEU 40 HA LEU 40 -10.334 7.467 7.180 1047 1HB LEU 40 HB2 LEU 40 -11.175 7.615 4.308 1048 2HB LEU 40 HB1 LEU 40 -9.593 7.886 5.032 1049 HG LEU 40 HG LEU 40 -10.927 5.207 4.552 1050 1HD1 LEU 40 HD11 LEU 40 -10.017 6.044 2.519 1051 2HD1 LEU 40 HD12 LEU 40 -8.814 4.918 3.145 1052 3HD1 LEU 40 HD13 LEU 40 -8.575 6.654 3.329 1053 1HD2 LEU 40 HD21 LEU 40 -9.722 4.666 6.450 1054 2HD2 LEU 40 HD22 LEU 40 -8.605 6.016 6.264 1055 3HD2 LEU 40 HD23 LEU 40 -8.401 4.561 5.292 1056 H SER 41 HN SER 41 -13.107 7.515 8.071 1057 HA SER 41 HA SER 41 -14.310 9.784 6.602 1058 1HB SER 41 HB2 SER 41 -15.407 7.616 7.821 1059 2HB SER 41 HB1 SER 41 -15.548 8.789 9.121 1060 HG SER 41 HG SER 41 -17.299 8.674 7.479 1061 H HIS 42 HN HIS 42 -12.395 9.148 9.430 1062 HA HIS 42 HA HIS 42 -13.058 11.765 10.656 1063 1HB HIS 42 HB2 HIS 42 -10.918 9.853 11.603 1064 2HB HIS 42 HB1 HIS 42 -11.849 11.020 12.544 1065 HD1 HIS 42 HD1 HIS 42 -11.648 7.564 12.256 1066 HD2 HIS 42 HD2 HIS 42 -14.882 10.190 12.020 1067 HE1 HIS 42 HE1 HIS 42 -13.727 6.188 12.716 1068 HE2 HIS 42 HE2 HIS 42 -15.699 7.777 12.575 1069 H PHE 43 HN PHE 43 -10.694 10.280 8.606 1070 HA PHE 43 HA PHE 43 -8.848 12.616 8.904 1071 1HB PHE 43 HB2 PHE 43 -8.388 9.830 8.651 1072 2HB PHE 43 HB1 PHE 43 -7.935 10.491 7.084 1073 HD1 PHE 43 HD1 PHE 43 -7.229 10.512 10.706 1074 HD2 PHE 43 HD2 PHE 43 -6.056 12.034 6.863 1075 HE1 PHE 43 HE1 PHE 43 -5.096 11.320 11.677 1076 HE2 PHE 43 HE2 PHE 43 -3.922 12.841 7.835 1077 HZ PHE 43 HZ PHE 43 -3.441 12.484 10.242 1078 H LEU 44 HN LEU 44 -10.463 10.628 6.408 1079 HA LEU 44 HA LEU 44 -10.193 12.904 4.488 1080 1HB LEU 44 HB2 LEU 44 -10.365 9.941 4.236 1081 2HB LEU 44 HB1 LEU 44 -11.259 10.839 3.015 1082 HG LEU 44 HG LEU 44 -9.165 12.158 2.547 1083 1HD1 LEU 44 HD11 LEU 44 -7.056 11.395 3.430 1084 2HD1 LEU 44 HD12 LEU 44 -7.820 10.010 4.209 1085 3HD1 LEU 44 HD13 LEU 44 -8.133 11.640 4.804 1086 1HD2 LEU 44 HD21 LEU 44 -9.897 10.101 1.261 1087 2HD2 LEU 44 HD22 LEU 44 -8.788 9.164 2.260 1088 3HD2 LEU 44 HD23 LEU 44 -8.166 10.427 1.199 1089 H GLU 45 HN GLU 45 -11.995 14.081 3.999 1090 HA GLU 45 HA GLU 45 -14.402 13.896 5.436 1091 1HB GLU 45 HB2 GLU 45 -13.979 14.951 2.621 1092 2HB GLU 45 HB1 GLU 45 -15.398 15.275 3.617 1093 1HG GLU 45 HG2 GLU 45 -13.811 16.206 5.373 1094 2HG GLU 45 HG1 GLU 45 -12.540 16.114 4.152 1095 H GLU 46 HN GLU 46 -16.341 12.781 5.097 1096 HA GLU 46 HA GLU 46 -16.181 10.325 3.581 1097 1HB GLU 46 HB2 GLU 46 -18.741 10.312 4.151 1098 2HB GLU 46 HB1 GLU 46 -17.574 10.167 5.463 1099 1HG GLU 46 HG2 GLU 46 -17.839 12.428 6.114 1100 2HG GLU 46 HG1 GLU 46 -18.626 12.861 4.596 1101 H ILE 47 HN ILE 47 -16.078 10.549 1.356 1102 HA ILE 47 HA ILE 47 -17.277 12.640 -0.139 1103 HB ILE 47 HB ILE 47 -17.049 11.134 -2.109 1104 1HG1 ILE 47 HG12 ILE 47 -16.185 9.079 -0.046 1105 2HG1 ILE 47 HG11 ILE 47 -17.689 9.024 -0.965 1106 1HG2 ILE 47 HG21 ILE 47 -14.625 10.891 -1.989 1107 2HG2 ILE 47 HG22 ILE 47 -14.675 10.993 -0.228 1108 3HG2 ILE 47 HG23 ILE 47 -15.100 12.399 -1.205 1109 1HD1 ILE 47 HD11 ILE 47 -16.187 7.627 -2.171 1110 2HD1 ILE 47 HD12 ILE 47 -14.867 8.780 -2.011 1111 3HD1 ILE 47 HD13 ILE 47 -16.229 9.140 -3.072 1112 H LYS 48 HN LYS 48 -19.314 12.905 -1.006 1113 HA LYS 48 HA LYS 48 -21.406 10.938 -0.145 1114 1HB LYS 48 HB2 LYS 48 -21.599 13.851 -0.978 1115 2HB LYS 48 HB1 LYS 48 -22.983 12.832 -0.577 1116 1HG LYS 48 HG2 LYS 48 -22.077 12.467 1.681 1117 2HG LYS 48 HG1 LYS 48 -20.673 13.460 1.287 1118 1HD LYS 48 HD2 LYS 48 -22.136 15.401 0.906 1119 2HD LYS 48 HD1 LYS 48 -23.552 14.415 1.274 1120 1HE LYS 48 HE2 LYS 48 -23.027 15.591 3.291 1121 2HE LYS 48 HE1 LYS 48 -22.470 13.935 3.534 1122 1HZ LYS 48 HZ1 LYS 48 -20.436 14.701 3.860 1123 2HZ LYS 48 HZ2 LYS 48 -20.976 16.296 3.635 1124 3HZ LYS 48 HZ3 LYS 48 -20.416 15.391 2.311 1125 H GLU 49 HN GLU 49 -19.722 12.229 -2.823 1126 HA GLU 49 HA GLU 49 -21.655 10.969 -4.746 1127 1HB GLU 49 HB2 GLU 49 -19.821 13.359 -5.059 1128 2HB GLU 49 HB1 GLU 49 -20.582 12.548 -6.427 1129 1HG GLU 49 HG2 GLU 49 -22.790 13.038 -5.585 1130 2HG GLU 49 HG1 GLU 49 -22.131 13.644 -4.065 1131 H GLN 50 HN GLN 50 -20.807 9.463 -6.145 1132 HA GLN 50 HA GLN 50 -18.191 8.367 -5.506 1133 1HB GLN 50 HB2 GLN 50 -18.797 6.887 -7.567 1134 2HB GLN 50 HB1 GLN 50 -19.785 6.745 -6.114 1135 1HG GLN 50 HG2 GLN 50 -21.528 8.069 -7.034 1136 2HG GLN 50 HG1 GLN 50 -20.497 8.663 -8.337 1137 1HE2 GLN 50 HE21 GLN 50 -19.517 6.652 -9.693 1138 2HE2 GLN 50 HE22 GLN 50 -20.666 5.480 -10.127 1139 H GLU 51 HN GLU 51 -19.368 10.709 -7.769 1140 HA GLU 51 HA GLU 51 -17.794 10.508 -9.979 1141 1HB GLU 51 HB2 GLU 51 -19.388 12.400 -9.356 1142 2HB GLU 51 HB1 GLU 51 -18.022 13.128 -8.509 1143 1HG GLU 51 HG2 GLU 51 -16.719 13.181 -10.570 1144 2HG GLU 51 HG1 GLU 51 -18.005 12.342 -11.437 1145 H VAL 52 HN VAL 52 -16.627 11.640 -6.825 1146 HA VAL 52 HA VAL 52 -13.966 12.132 -7.908 1147 HB VAL 52 HB VAL 52 -13.299 12.312 -5.491 1148 1HG1 VAL 52 HG11 VAL 52 -14.793 14.288 -5.003 1149 2HG1 VAL 52 HG12 VAL 52 -15.741 13.844 -6.424 1150 3HG1 VAL 52 HG13 VAL 52 -14.051 14.318 -6.604 1151 1HG2 VAL 52 HG21 VAL 52 -15.142 12.248 -3.814 1152 2HG2 VAL 52 HG22 VAL 52 -14.869 10.675 -4.564 1153 3HG2 VAL 52 HG23 VAL 52 -16.236 11.667 -5.068 1154 H VAL 53 HN VAL 53 -15.619 9.520 -6.246 1155 HA VAL 53 HA VAL 53 -13.232 7.918 -6.014 1156 HB VAL 53 HB VAL 53 -15.842 7.740 -5.037 1157 1HG1 VAL 53 HG11 VAL 53 -16.501 6.660 -7.239 1158 2HG1 VAL 53 HG12 VAL 53 -16.834 5.695 -5.804 1159 3HG1 VAL 53 HG13 VAL 53 -15.437 5.322 -6.812 1160 1HG2 VAL 53 HG21 VAL 53 -13.878 5.441 -5.071 1161 2HG2 VAL 53 HG22 VAL 53 -15.101 5.798 -3.850 1162 3HG2 VAL 53 HG23 VAL 53 -13.708 6.860 -4.034 1163 H ASP 54 HN ASP 54 -15.427 8.742 -8.519 1164 HA ASP 54 HA ASP 54 -14.717 6.497 -10.266 1165 1HB ASP 54 HB2 ASP 54 -16.067 9.164 -10.788 1166 2HB ASP 54 HB1 ASP 54 -15.771 7.971 -12.049 1167 H LYS 55 HN LYS 55 -13.645 9.760 -9.585 1168 HA LYS 55 HA LYS 55 -11.706 9.792 -11.792 1169 1HB LYS 55 HB2 LYS 55 -12.591 11.923 -11.193 1170 2HB LYS 55 HB1 LYS 55 -12.294 11.653 -9.479 1171 1HG LYS 55 HG2 LYS 55 -9.879 11.520 -11.236 1172 2HG LYS 55 HG1 LYS 55 -10.623 13.109 -11.090 1173 1HD LYS 55 HD2 LYS 55 -10.236 13.238 -8.782 1174 2HD LYS 55 HD1 LYS 55 -10.102 11.492 -8.601 1175 1HE LYS 55 HE2 LYS 55 -7.925 11.442 -9.504 1176 2HE LYS 55 HE1 LYS 55 -8.099 13.031 -10.250 1177 1HZ LYS 55 HZ1 LYS 55 -6.889 13.572 -8.419 1178 2HZ LYS 55 HZ2 LYS 55 -7.545 12.332 -7.462 1179 3HZ LYS 55 HZ3 LYS 55 -8.445 13.740 -7.767 1180 H VAL 56 HN VAL 56 -11.606 9.414 -8.218 1181 HA VAL 56 HA VAL 56 -8.796 9.218 -7.990 1182 HB VAL 56 HB VAL 56 -10.792 9.188 -6.183 1183 1HG1 VAL 56 HG11 VAL 56 -11.413 6.816 -6.885 1184 2HG1 VAL 56 HG12 VAL 56 -11.149 7.058 -5.163 1185 3HG1 VAL 56 HG13 VAL 56 -9.900 6.298 -6.148 1186 1HG2 VAL 56 HG21 VAL 56 -9.139 8.550 -4.483 1187 2HG2 VAL 56 HG22 VAL 56 -8.395 9.580 -5.706 1188 3HG2 VAL 56 HG23 VAL 56 -8.114 7.839 -5.732 1189 H MET 57 HN MET 57 -11.229 6.795 -8.813 1190 HA MET 57 HA MET 57 -9.438 4.558 -8.898 1191 1HB MET 57 HB2 MET 57 -12.104 5.168 -10.173 1192 2HB MET 57 HB1 MET 57 -11.242 3.682 -10.577 1193 1HG MET 57 HG2 MET 57 -11.135 3.119 -8.158 1194 2HG MET 57 HG1 MET 57 -12.077 4.565 -7.798 1195 1HE MET 57 HE1 MET 57 -14.035 0.950 -7.628 1196 2HE MET 57 HE2 MET 57 -12.835 1.915 -6.774 1197 3HE MET 57 HE3 MET 57 -12.336 0.891 -8.123 1198 H GLU 58 HN GLU 58 -10.312 7.021 -11.279 1199 HA GLU 58 HA GLU 58 -9.040 5.796 -13.532 1200 1HB GLU 58 HB2 GLU 58 -9.650 8.679 -12.845 1201 2HB GLU 58 HB1 GLU 58 -8.866 8.224 -14.357 1202 1HG GLU 58 HG2 GLU 58 -11.451 6.947 -13.458 1203 2HG GLU 58 HG1 GLU 58 -11.428 8.437 -14.402 1204 H THR 59 HN THR 59 -7.833 7.633 -10.825 1205 HA THR 59 HA THR 59 -5.155 7.912 -12.030 1206 HB THR 59 HB THR 59 -6.083 8.558 -9.217 1207 HG1 THR 59 HG1 THR 59 -6.344 10.626 -10.003 1208 1HG2 THR 59 HG21 THR 59 -4.062 10.096 -9.367 1209 2HG2 THR 59 HG22 THR 59 -3.616 9.220 -10.831 1210 3HG2 THR 59 HG23 THR 59 -3.699 8.371 -9.287 1211 H LEU 60 HN LEU 60 -6.828 5.879 -9.673 1212 HA LEU 60 HA LEU 60 -4.259 4.543 -8.970 1213 1HB LEU 60 HB2 LEU 60 -7.011 4.626 -7.811 1214 2HB LEU 60 HB1 LEU 60 -6.095 3.145 -7.551 1215 HG LEU 60 HG LEU 60 -5.797 4.766 -5.723 1216 1HD1 LEU 60 HD11 LEU 60 -3.858 3.217 -6.830 1217 2HD1 LEU 60 HD12 LEU 60 -3.591 4.212 -5.403 1218 3HD1 LEU 60 HD13 LEU 60 -3.088 4.798 -6.986 1219 1HD2 LEU 60 HD21 LEU 60 -6.036 6.777 -7.262 1220 2HD2 LEU 60 HD22 LEU 60 -4.352 6.517 -7.718 1221 3HD2 LEU 60 HD23 LEU 60 -4.765 6.893 -6.045 1222 H ASP 61 HN ASP 61 -7.433 3.635 -10.454 1223 HA ASP 61 HA ASP 61 -6.844 0.906 -10.808 1224 1HB ASP 61 HB2 ASP 61 -8.386 2.712 -12.672 1225 2HB ASP 61 HB1 ASP 61 -8.464 0.951 -12.624 1226 H GLU 62 HN GLU 62 -5.068 0.121 -11.654 1227 HA GLU 62 HA GLU 62 -3.628 1.539 -13.789 1228 1HB GLU 62 HB2 GLU 62 -2.303 0.427 -12.058 1229 2HB GLU 62 HB1 GLU 62 -3.097 -1.108 -12.400 1230 1HG GLU 62 HG2 GLU 62 -1.633 0.366 -14.590 1231 2HG GLU 62 HG1 GLU 62 -0.747 -0.644 -13.450 1232 H ASP 63 HN ASP 63 -5.443 -1.453 -13.345 1233 HA ASP 63 HA ASP 63 -5.244 -2.112 -16.203 1234 1HB ASP 63 HB2 ASP 63 -6.930 -3.914 -15.517 1235 2HB ASP 63 HB1 ASP 63 -5.349 -4.007 -14.738 1236 H GLY 64 HN GLY 64 -6.946 0.120 -14.406 1237 1HA GLY 64 HA2 GLY 64 -8.902 1.357 -14.867 1238 2HA GLY 64 HA1 GLY 64 -8.708 0.821 -16.540 1239 H ASP 65 HN ASP 65 -9.189 -1.112 -13.611 1240 HA ASP 65 HA ASP 65 -11.431 -2.513 -14.984 1241 1HB ASP 65 HB2 ASP 65 -11.209 -4.134 -13.107 1242 2HB ASP 65 HB1 ASP 65 -9.696 -3.912 -13.984 1243 H GLY 66 HN GLY 66 -11.062 0.075 -12.880 1244 1HA GLY 66 HA2 GLY 66 -12.723 1.251 -11.666 1245 2HA GLY 66 HA1 GLY 66 -13.907 0.081 -12.261 1246 H GLU 67 HN GLU 67 -11.314 -1.558 -11.037 1247 HA GLU 67 HA GLU 67 -12.465 -1.776 -8.278 1248 1HB GLU 67 HB2 GLU 67 -11.476 -4.045 -10.042 1249 2HB GLU 67 HB1 GLU 67 -12.019 -4.205 -8.372 1250 1HG GLU 67 HG2 GLU 67 -14.246 -3.289 -9.057 1251 2HG GLU 67 HG1 GLU 67 -13.692 -3.299 -10.733 1252 H CYS 68 HN CYS 68 -10.794 -2.657 -6.739 1253 HA CYS 68 HA CYS 68 -8.001 -1.993 -7.641 1254 1HB CYS 68 HB2 CYS 68 -8.944 -1.457 -4.833 1255 2HB CYS 68 HB1 CYS 68 -7.605 -0.726 -5.718 1256 HG CYS 68 HG CYS 68 -9.293 1.082 -6.086 1257 H ASP 69 HN ASP 69 -7.256 -4.104 -7.826 1258 HA ASP 69 HA ASP 69 -7.793 -6.269 -6.118 1259 1HB ASP 69 HB2 ASP 69 -6.406 -6.199 -8.309 1260 2HB ASP 69 HB1 ASP 69 -5.037 -5.797 -7.270 1261 H PHE 70 HN PHE 70 -5.376 -7.113 -4.882 1262 HA PHE 70 HA PHE 70 -5.451 -5.419 -2.519 1263 1HB PHE 70 HB2 PHE 70 -3.302 -7.280 -2.271 1264 2HB PHE 70 HB1 PHE 70 -4.899 -7.393 -1.552 1265 HD1 PHE 70 HD1 PHE 70 -2.625 -9.054 -3.643 1266 HD2 PHE 70 HD2 PHE 70 -6.812 -8.148 -3.301 1267 HE1 PHE 70 HE1 PHE 70 -3.162 -10.993 -5.087 1268 HE2 PHE 70 HE2 PHE 70 -7.344 -10.089 -4.751 1269 HZ PHE 70 HZ PHE 70 -5.521 -11.510 -5.643 1270 H GLN 71 HN GLN 71 -3.091 -5.955 -5.114 1271 HA GLN 71 HA GLN 71 -1.015 -4.426 -3.818 1272 1HB GLN 71 HB2 GLN 71 -0.209 -4.353 -6.385 1273 2HB GLN 71 HB1 GLN 71 -0.043 -5.805 -5.404 1274 1HG GLN 71 HG2 GLN 71 -2.581 -5.320 -6.958 1275 2HG GLN 71 HG1 GLN 71 -1.164 -5.990 -7.762 1276 1HE2 GLN 71 HE21 GLN 71 -0.334 -8.095 -6.939 1277 2HE2 GLN 71 HE22 GLN 71 -1.366 -9.133 -6.081 1278 H GLU 72 HN GLU 72 -3.721 -3.629 -5.907 1279 HA GLU 72 HA GLU 72 -2.725 -0.881 -6.310 1280 1HB GLU 72 HB2 GLU 72 -3.864 -2.108 -8.139 1281 2HB GLU 72 HB1 GLU 72 -5.303 -2.252 -7.131 1282 1HG GLU 72 HG2 GLU 72 -5.134 0.386 -7.010 1283 2HG GLU 72 HG1 GLU 72 -4.152 0.197 -8.461 1284 H PHE 73 HN PHE 73 -5.336 -2.638 -4.657 1285 HA PHE 73 HA PHE 73 -6.703 -0.459 -3.542 1286 1HB PHE 73 HB2 PHE 73 -7.593 -2.674 -3.210 1287 2HB PHE 73 HB1 PHE 73 -6.122 -3.197 -2.394 1288 HD1 PHE 73 HD1 PHE 73 -8.512 -0.307 -2.064 1289 HD2 PHE 73 HD2 PHE 73 -6.366 -3.466 -0.089 1290 HE1 PHE 73 HE1 PHE 73 -9.458 0.407 0.112 1291 HE2 PHE 73 HE2 PHE 73 -7.315 -2.751 2.084 1292 HZ PHE 73 HZ PHE 73 -8.859 -0.816 2.186 1293 H MET 74 HN MET 74 -3.759 -2.067 -2.365 1294 HA MET 74 HA MET 74 -3.536 -0.458 -0.009 1295 1HB MET 74 HB2 MET 74 -2.173 -2.577 -0.798 1296 2HB MET 74 HB1 MET 74 -1.119 -1.392 -1.560 1297 1HG MET 74 HG2 MET 74 -0.065 -1.269 0.460 1298 2HG MET 74 HG1 MET 74 -1.457 -0.351 1.016 1299 1HE MET 74 HE1 MET 74 0.078 -3.601 3.256 1300 2HE MET 74 HE2 MET 74 0.308 -1.859 3.106 1301 3HE MET 74 HE3 MET 74 0.839 -2.929 1.809 1302 H ALA 75 HN ALA 75 -2.347 -0.120 -3.310 1303 HA ALA 75 HA ALA 75 -0.904 2.299 -3.034 1304 1HB ALA 75 HB1 ALA 75 -1.135 2.604 -5.377 1305 2HB ALA 75 HB2 ALA 75 -2.697 1.788 -5.411 1306 3HB ALA 75 HB3 ALA 75 -1.224 0.857 -5.150 1307 H PHE 76 HN PHE 76 -4.296 1.792 -2.704 1308 HA PHE 76 HA PHE 76 -5.030 4.580 -3.227 1309 1HB PHE 76 HB2 PHE 76 -6.805 2.953 -3.451 1310 2HB PHE 76 HB1 PHE 76 -6.525 2.345 -1.827 1311 HD1 PHE 76 HD1 PHE 76 -7.047 5.721 -3.402 1312 HD2 PHE 76 HD2 PHE 76 -8.126 2.992 -0.260 1313 HE1 PHE 76 HE1 PHE 76 -8.628 7.394 -2.486 1314 HE2 PHE 76 HE2 PHE 76 -9.707 4.665 0.649 1315 HZ PHE 76 HZ PHE 76 -9.960 6.867 -0.462 1316 H VAL 77 HN VAL 77 -4.767 2.647 -0.200 1317 HA VAL 77 HA VAL 77 -5.050 4.848 1.572 1318 HB VAL 77 HB VAL 77 -3.439 2.288 1.836 1319 1HG1 VAL 77 HG11 VAL 77 -3.918 4.547 3.784 1320 2HG1 VAL 77 HG12 VAL 77 -2.394 3.783 3.357 1321 3HG1 VAL 77 HG13 VAL 77 -3.566 2.910 4.340 1322 1HG2 VAL 77 HG21 VAL 77 -6.069 3.200 3.047 1323 2HG2 VAL 77 HG22 VAL 77 -5.298 1.637 3.314 1324 3HG2 VAL 77 HG23 VAL 77 -5.904 2.059 1.712 1325 H SER 78 HN SER 78 -2.349 3.717 -0.324 1326 HA SER 78 HA SER 78 -0.284 5.272 0.899 1327 1HB SER 78 HB2 SER 78 -0.015 3.372 -0.769 1328 2HB SER 78 HB1 SER 78 -0.501 4.507 -2.018 1329 HG SER 78 HG SER 78 1.848 4.249 -1.527 1330 H MET 79 HN MET 79 -2.766 5.912 -1.472 1331 HA MET 79 HA MET 79 -1.706 8.486 -2.275 1332 1HB MET 79 HB2 MET 79 -3.215 7.043 -3.696 1333 2HB MET 79 HB1 MET 79 -4.527 7.445 -2.591 1334 1HG MET 79 HG2 MET 79 -3.729 9.948 -3.110 1335 2HG MET 79 HG1 MET 79 -3.126 9.189 -4.583 1336 1HE MET 79 HE1 MET 79 -4.389 9.130 -6.557 1337 2HE MET 79 HE2 MET 79 -4.742 10.759 -5.988 1338 3HE MET 79 HE3 MET 79 -6.027 9.780 -6.690 1339 H VAL 80 HN VAL 80 -3.970 7.353 0.162 1340 HA VAL 80 HA VAL 80 -4.723 10.125 0.829 1341 HB VAL 80 HB VAL 80 -6.399 9.254 2.190 1342 1HG1 VAL 80 HG11 VAL 80 -5.891 6.828 0.465 1343 2HG1 VAL 80 HG12 VAL 80 -6.601 8.323 -0.142 1344 3HG1 VAL 80 HG13 VAL 80 -7.437 7.386 1.098 1345 1HG2 VAL 80 HG21 VAL 80 -6.256 6.926 3.214 1346 2HG2 VAL 80 HG22 VAL 80 -5.091 8.094 3.832 1347 3HG2 VAL 80 HG23 VAL 80 -4.586 6.878 2.665 1348 H THR 81 HN THR 81 -2.655 7.462 1.881 1349 HA THR 81 HA THR 81 -1.870 8.704 4.363 1350 HB THR 81 HB THR 81 -0.226 6.835 2.628 1351 HG1 THR 81 HG1 THR 81 -1.351 5.511 4.558 1352 1HG2 THR 81 HG21 THR 81 -0.206 7.569 5.558 1353 2HG2 THR 81 HG22 THR 81 1.097 7.767 4.387 1354 3HG2 THR 81 HG23 THR 81 0.630 6.153 4.923 1355 H THR 82 HN THR 82 -0.696 8.810 0.980 1356 HA THR 82 HA THR 82 1.659 10.305 1.516 1357 HB THR 82 HB THR 82 1.263 11.106 -0.915 1358 HG1 THR 82 HG1 THR 82 -0.502 10.454 -1.861 1359 1HG2 THR 82 HG21 THR 82 1.335 8.473 -1.605 1360 2HG2 THR 82 HG22 THR 82 1.740 8.341 0.108 1361 3HG2 THR 82 HG23 THR 82 2.731 9.337 -0.959 1362 H ALA 83 HN ALA 83 -1.721 11.416 0.957 1363 HA ALA 83 HA ALA 83 -1.097 14.189 0.844 1364 1HB ALA 83 HB1 ALA 83 -3.481 14.468 1.646 1365 2HB ALA 83 HB2 ALA 83 -3.561 12.715 1.819 1366 3HB ALA 83 HB3 ALA 83 -3.312 13.434 0.228 1367 H CYS 84 HN CYS 84 -1.733 11.977 3.541 1368 HA CYS 84 HA CYS 84 -1.692 13.971 5.608 1369 1HB CYS 84 HB2 CYS 84 -2.512 11.718 6.068 1370 2HB CYS 84 HB1 CYS 84 -0.931 11.035 5.689 1371 HG CYS 84 HG CYS 84 -0.950 13.101 7.983 1372 H HIS 85 HN HIS 85 0.815 12.450 3.740 1373 HA HIS 85 HA HIS 85 2.945 13.463 5.557 1374 1HB HIS 85 HB2 HIS 85 3.103 11.161 4.588 1375 2HB HIS 85 HB1 HIS 85 3.186 11.878 2.982 1376 HD1 HIS 85 HD1 HIS 85 5.134 11.639 6.213 1377 HD2 HIS 85 HD2 HIS 85 5.673 12.999 2.314 1378 HE1 HIS 85 HE1 HIS 85 7.602 12.157 5.971 1379 H GLU 86 HN GLU 86 1.548 14.002 2.355 1380 HA GLU 86 HA GLU 86 3.612 15.916 1.576 1381 1HB GLU 86 HB2 GLU 86 2.395 14.644 -0.140 1382 2HB GLU 86 HB1 GLU 86 0.875 15.358 0.398 1383 1HG GLU 86 HG2 GLU 86 1.593 17.566 -0.264 1384 2HG GLU 86 HG1 GLU 86 3.226 16.987 -0.598 1385 H PHE 87 HN PHE 87 0.256 16.096 2.729 1386 HA PHE 87 HA PHE 87 -0.045 18.914 2.604 1387 1HB PHE 87 HB2 PHE 87 -1.890 17.309 3.114 1388 2HB PHE 87 HB1 PHE 87 -1.184 17.049 4.710 1389 HD1 PHE 87 HD1 PHE 87 -2.443 19.754 2.448 1390 HD2 PHE 87 HD2 PHE 87 -1.729 18.494 6.493 1391 HE1 PHE 87 HE1 PHE 87 -3.600 21.781 3.285 1392 HE2 PHE 87 HE2 PHE 87 -2.887 20.521 7.329 1393 HZ PHE 87 HZ PHE 87 -3.822 22.165 5.724 1394 H PHE 88 HN PHE 88 1.366 16.843 5.122 1395 HA PHE 88 HA PHE 88 1.870 19.032 6.954 1396 1HB PHE 88 HB2 PHE 88 1.724 16.608 7.619 1397 2HB PHE 88 HB1 PHE 88 3.272 16.347 6.817 1398 HD1 PHE 88 HD1 PHE 88 1.629 18.491 9.410 1399 HD2 PHE 88 HD2 PHE 88 5.281 16.729 7.988 1400 HE1 PHE 88 HE1 PHE 88 2.807 19.293 11.440 1401 HE2 PHE 88 HE2 PHE 88 6.458 17.532 10.019 1402 HZ PHE 88 HZ PHE 88 5.221 18.813 11.745 1403 H GLU 89 HN GLU 89 3.821 17.316 4.517 1404 HA GLU 89 HA GLU 89 6.165 19.000 5.057 1405 1HB GLU 89 HB2 GLU 89 5.573 16.931 2.921 1406 2HB GLU 89 HB1 GLU 89 7.110 17.785 3.062 1407 1HG GLU 89 HG2 GLU 89 7.241 16.951 5.451 1408 2HG GLU 89 HG1 GLU 89 5.849 15.928 5.096 1409 H HIS 90 HN HIS 90 3.418 19.986 3.938 1410 HA HIS 90 HA HIS 90 3.991 20.979 1.288 1411 1HB HIS 90 HB2 HIS 90 1.684 20.767 2.200 1412 2HB HIS 90 HB1 HIS 90 2.042 22.058 3.347 1413 HD1 HIS 90 HD1 HIS 90 1.771 24.425 2.531 1414 HD2 HIS 90 HD2 HIS 90 1.839 21.682 -0.612 1415 HE1 HIS 90 HE1 HIS 90 1.233 25.730 0.426 1416 HE2 HIS 90 HE2 HIS 90 1.271 24.070 -1.491 1417 H GLU 91 HN GLU 91 5.876 22.162 1.156 1418 HA GLU 91 HA GLU 91 6.663 24.090 3.178 1419 1HB GLU 91 HB2 GLU 91 8.433 24.699 1.565 1420 2HB GLU 91 HB1 GLU 91 8.324 22.948 1.753 1421 1HG GLU 91 HG2 GLU 91 6.814 22.915 -0.274 1422 2HG GLU 91 HG1 GLU 91 7.206 24.617 -0.513 Start of MODEL 8 1 1H MET 0 HT1 MET 0 -12.009 2.084 16.903 2 2H MET 0 HT2 MET 0 -11.221 3.370 16.121 3 3H MET 0 HT3 MET 0 -10.871 3.018 17.746 4 HA MET 0 HA MET 0 -9.134 1.890 16.949 5 1HB MET 0 HB2 MET 0 -11.465 0.090 16.251 6 2HB MET 0 HB1 MET 0 -9.785 -0.434 16.129 7 1HG MET 0 HG2 MET 0 -10.635 -1.105 18.298 8 2HG MET 0 HG1 MET 0 -9.475 0.201 18.538 9 1HE MET 0 HE1 MET 0 -10.801 -0.429 20.706 10 2HE MET 0 HE2 MET 0 -12.083 0.619 21.308 11 3HE MET 0 HE3 MET 0 -10.486 1.289 20.980 12 H SER 1 HN SER 1 -8.884 3.639 15.214 13 HA SER 1 HA SER 1 -9.696 2.912 12.501 14 1HB SER 1 HB2 SER 1 -8.021 4.849 11.964 15 2HB SER 1 HB1 SER 1 -9.536 5.233 12.770 16 HG SER 1 HG SER 1 -8.282 6.057 14.241 17 H GLU 2 HN GLU 2 -8.729 0.795 12.455 18 HA GLU 2 HA GLU 2 -6.008 0.160 12.845 19 1HB GLU 2 HB2 GLU 2 -7.634 -0.986 10.574 20 2HB GLU 2 HB1 GLU 2 -6.369 -1.773 11.511 21 1HG GLU 2 HG2 GLU 2 -8.267 -2.677 12.518 22 2HG GLU 2 HG1 GLU 2 -7.989 -1.278 13.551 23 H LEU 3 HN LEU 3 -7.586 1.738 10.118 24 HA LEU 3 HA LEU 3 -5.283 1.612 8.382 25 1HB LEU 3 HB2 LEU 3 -7.988 2.781 8.330 26 2HB LEU 3 HB1 LEU 3 -6.810 3.794 7.508 27 HG LEU 3 HG LEU 3 -8.029 2.039 6.092 28 1HD1 LEU 3 HD11 LEU 3 -6.097 3.174 5.235 29 2HD1 LEU 3 HD12 LEU 3 -5.924 1.464 4.852 30 3HD1 LEU 3 HD13 LEU 3 -5.007 2.166 6.181 31 1HD2 LEU 3 HD21 LEU 3 -6.019 -0.006 6.915 32 2HD2 LEU 3 HD22 LEU 3 -7.686 -0.204 6.388 33 3HD2 LEU 3 HD23 LEU 3 -7.343 0.264 8.049 34 H GLU 4 HN GLU 4 -6.166 3.685 11.020 35 HA GLU 4 HA GLU 4 -4.480 5.913 10.197 36 1HB GLU 4 HB2 GLU 4 -6.294 6.390 11.712 37 2HB GLU 4 HB1 GLU 4 -5.740 5.165 12.852 38 1HG GLU 4 HG2 GLU 4 -3.841 6.442 13.477 39 2HG GLU 4 HG1 GLU 4 -3.986 7.497 12.071 40 H LYS 5 HN LYS 5 -4.091 3.011 12.152 41 HA LYS 5 HA LYS 5 -1.512 3.733 13.236 42 1HB LYS 5 HB2 LYS 5 -3.107 1.189 12.980 43 2HB LYS 5 HB1 LYS 5 -1.412 1.092 13.462 44 1HG LYS 5 HG2 LYS 5 -1.767 2.222 15.467 45 2HG LYS 5 HG1 LYS 5 -3.184 3.076 14.864 46 1HD LYS 5 HD2 LYS 5 -3.332 0.081 15.114 47 2HD LYS 5 HD1 LYS 5 -3.434 1.047 16.584 48 1HE LYS 5 HE2 LYS 5 -5.440 2.058 15.948 49 2HE LYS 5 HE1 LYS 5 -5.144 1.809 14.227 50 1HZ LYS 5 HZ1 LYS 5 -5.338 -0.646 14.750 51 2HZ LYS 5 HZ2 LYS 5 -6.776 0.258 14.811 52 3HZ LYS 5 HZ3 LYS 5 -5.984 -0.183 16.249 53 H ALA 6 HN ALA 6 -2.527 1.766 10.440 54 HA ALA 6 HA ALA 6 0.090 1.043 9.592 55 1HB ALA 6 HB1 ALA 6 -0.938 0.493 7.466 56 2HB ALA 6 HB2 ALA 6 -2.327 1.513 7.837 57 3HB ALA 6 HB3 ALA 6 -2.051 0.032 8.755 58 H MET 7 HN MET 7 -2.008 3.649 8.352 59 HA MET 7 HA MET 7 -0.198 4.798 6.559 60 1HB MET 7 HB2 MET 7 -2.143 6.241 8.392 61 2HB MET 7 HB1 MET 7 -1.379 6.952 6.974 62 1HG MET 7 HG2 MET 7 -2.585 5.594 5.488 63 2HG MET 7 HG1 MET 7 -2.956 4.395 6.727 64 1HE MET 7 HE1 MET 7 -5.970 6.950 5.196 65 2HE MET 7 HE2 MET 7 -5.324 5.343 4.895 66 3HE MET 7 HE3 MET 7 -4.341 6.758 4.535 67 H VAL 8 HN VAL 8 -0.397 5.267 10.077 68 HA VAL 8 HA VAL 8 1.711 7.264 10.114 69 HB VAL 8 HB VAL 8 0.415 5.552 12.249 70 1HG1 VAL 8 HG11 VAL 8 2.585 5.848 13.144 71 2HG1 VAL 8 HG12 VAL 8 1.658 7.180 13.836 72 3HG1 VAL 8 HG13 VAL 8 2.737 7.471 12.471 73 1HG2 VAL 8 HG21 VAL 8 -0.410 7.800 12.992 74 2HG2 VAL 8 HG22 VAL 8 -0.957 7.362 11.373 75 3HG2 VAL 8 HG23 VAL 8 0.367 8.511 11.575 76 H ALA 9 HN ALA 9 1.586 3.781 10.722 77 HA ALA 9 HA ALA 9 4.298 3.451 11.498 78 1HB ALA 9 HB1 ALA 9 2.854 1.601 11.837 79 2HB ALA 9 HB2 ALA 9 3.946 1.082 10.554 80 3HB ALA 9 HB3 ALA 9 2.312 1.613 10.160 81 H LEU 10 HN LEU 10 2.813 3.631 8.258 82 HA LEU 10 HA LEU 10 5.355 2.953 6.960 83 1HB LEU 10 HB2 LEU 10 2.586 3.636 6.057 84 2HB LEU 10 HB1 LEU 10 3.895 3.913 4.908 85 HG LEU 10 HG LEU 10 4.644 1.583 5.179 86 1HD1 LEU 10 HD11 LEU 10 4.043 1.080 7.431 87 2HD1 LEU 10 HD12 LEU 10 3.035 0.035 6.430 88 3HD1 LEU 10 HD13 LEU 10 2.352 1.495 7.147 89 1HD2 LEU 10 HD21 LEU 10 2.893 0.553 3.946 90 2HD2 LEU 10 HD22 LEU 10 2.791 2.268 3.543 91 3HD2 LEU 10 HD23 LEU 10 1.660 1.563 4.700 92 H ILE 11 HN ILE 11 3.465 5.993 7.288 93 HA ILE 11 HA ILE 11 5.021 7.732 5.816 94 HB ILE 11 HB ILE 11 3.687 8.120 8.506 95 1HG1 ILE 11 HG12 ILE 11 3.009 9.264 5.789 96 2HG1 ILE 11 HG11 ILE 11 2.407 7.701 6.331 97 1HG2 ILE 11 HG21 ILE 11 3.928 10.611 7.933 98 2HG2 ILE 11 HG22 ILE 11 5.191 10.120 6.803 99 3HG2 ILE 11 HG23 ILE 11 5.378 9.803 8.528 100 1HD1 ILE 11 HD11 ILE 11 0.822 9.603 6.776 101 2HD1 ILE 11 HD12 ILE 11 2.026 10.280 7.873 102 3HD1 ILE 11 HD13 ILE 11 1.291 8.715 8.226 103 H ASP 12 HN ASP 12 5.883 6.167 8.830 104 HA ASP 12 HA ASP 12 8.255 7.834 9.251 105 1HB ASP 12 HB2 ASP 12 7.252 5.279 10.523 106 2HB ASP 12 HB1 ASP 12 8.801 6.005 10.954 107 H VAL 13 HN VAL 13 7.695 4.441 8.264 108 HA VAL 13 HA VAL 13 10.482 4.052 7.540 109 HB VAL 13 HB VAL 13 8.086 2.383 6.695 110 1HG1 VAL 13 HG11 VAL 13 11.062 1.889 6.861 111 2HG1 VAL 13 HG12 VAL 13 9.998 1.697 5.467 112 3HG1 VAL 13 HG13 VAL 13 9.892 0.567 6.820 113 1HG2 VAL 13 HG21 VAL 13 9.639 2.539 9.278 114 2HG2 VAL 13 HG22 VAL 13 8.933 1.009 8.765 115 3HG2 VAL 13 HG23 VAL 13 7.897 2.407 9.036 116 H PHE 14 HN PHE 14 7.629 5.222 5.954 117 HA PHE 14 HA PHE 14 8.600 4.864 3.237 118 1HB PHE 14 HB2 PHE 14 6.274 5.118 3.339 119 2HB PHE 14 HB1 PHE 14 6.375 6.421 4.512 120 HD1 PHE 14 HD1 PHE 14 5.393 8.330 3.568 121 HD2 PHE 14 HD2 PHE 14 8.056 5.932 1.203 122 HE1 PHE 14 HE1 PHE 14 5.266 9.996 1.738 123 HE2 PHE 14 HE2 PHE 14 7.931 7.601 -0.628 124 HZ PHE 14 HZ PHE 14 6.536 9.632 -0.360 125 H HIS 15 HN HIS 15 8.591 7.651 5.478 126 HA HIS 15 HA HIS 15 10.003 9.325 3.558 127 1HB HIS 15 HB2 HIS 15 8.434 9.911 5.665 128 2HB HIS 15 HB1 HIS 15 9.989 10.010 6.481 129 HD1 HIS 15 HD1 HIS 15 8.335 12.556 6.097 130 HD2 HIS 15 HD2 HIS 15 11.223 11.300 3.366 131 HE1 HIS 15 HE1 HIS 15 9.031 14.611 4.797 132 H GLN 16 HN GLN 16 10.946 7.339 6.340 133 HA GLN 16 HA GLN 16 13.636 8.337 6.516 134 1HB GLN 16 HB2 GLN 16 12.366 5.737 7.403 135 2HB GLN 16 HB1 GLN 16 14.049 6.149 7.738 136 1HG GLN 16 HG2 GLN 16 13.431 8.052 9.036 137 2HG GLN 16 HG1 GLN 16 11.763 7.987 8.468 138 1HE2 GLN 16 HE21 GLN 16 13.822 5.288 9.654 139 2HE2 GLN 16 HE22 GLN 16 12.797 4.872 10.942 140 H TYR 17 HN TYR 17 12.214 5.611 4.714 141 HA TYR 17 HA TYR 17 14.873 4.930 3.605 142 1HB TYR 17 HB2 TYR 17 12.125 3.706 3.457 143 2HB TYR 17 HB1 TYR 17 13.336 3.261 2.254 144 HD1 TYR 17 HD1 TYR 17 15.185 1.851 2.805 145 HD2 TYR 17 HD2 TYR 17 12.622 3.356 5.906 146 HE1 TYR 17 HE1 TYR 17 16.275 0.339 4.438 147 HE2 TYR 17 HE2 TYR 17 13.711 1.842 7.541 148 HH TYR 17 HH TYR 17 15.094 -0.605 7.143 149 H SER 18 HN SER 18 11.691 5.853 2.195 150 HA SER 18 HA SER 18 12.663 6.343 -0.413 151 1HB SER 18 HB2 SER 18 10.227 6.463 0.519 152 2HB SER 18 HB1 SER 18 10.606 8.147 0.869 153 HG SER 18 HG SER 18 10.075 8.405 -1.155 154 H GLY 19 HN GLY 19 13.163 8.022 2.553 155 1HA GLY 19 HA2 GLY 19 14.294 10.416 1.180 156 2HA GLY 19 HA1 GLY 19 13.908 10.306 2.895 157 H ARG 20 HN ARG 20 15.418 7.425 2.110 158 HA ARG 20 HA ARG 20 17.781 8.004 3.599 159 1HB ARG 20 HB2 ARG 20 16.975 5.704 3.189 160 2HB ARG 20 HB1 ARG 20 17.326 5.877 1.475 161 1HG ARG 20 HG2 ARG 20 19.750 6.297 2.128 162 2HG ARG 20 HG1 ARG 20 19.302 5.842 3.771 163 1HD ARG 20 HD2 ARG 20 18.455 3.665 2.886 164 2HD ARG 20 HD1 ARG 20 19.044 4.126 1.287 165 HE ARG 20 HE ARG 20 20.684 3.186 3.498 166 1HH1 ARG 20 HH21 ARG 20 20.497 5.185 0.695 167 2HH1 ARG 20 HH22 ARG 20 22.199 5.127 0.378 168 1HH2 ARG 20 HH11 ARG 20 22.910 3.103 3.101 169 2HH2 ARG 20 HH12 ARG 20 23.564 3.952 1.741 170 H GLU 21 HN GLU 21 17.109 7.980 0.137 171 HA GLU 21 HA GLU 21 19.348 9.863 -0.305 172 1HB GLU 21 HB2 GLU 21 20.033 8.286 -2.321 173 2HB GLU 21 HB1 GLU 21 20.661 7.973 -0.703 174 1HG GLU 21 HG2 GLU 21 18.957 6.293 -0.302 175 2HG GLU 21 HG1 GLU 21 18.166 6.675 -1.831 176 H GLY 22 HN GLY 22 19.340 10.542 -2.707 177 1HA GLY 22 HA2 GLY 22 18.119 10.972 -4.734 178 2HA GLY 22 HA1 GLY 22 16.684 10.247 -4.005 179 H ASP 23 HN ASP 23 15.627 12.283 -4.817 180 HA ASP 23 HA ASP 23 16.242 14.888 -3.979 181 1HB ASP 23 HB2 ASP 23 14.392 14.274 -5.547 182 2HB ASP 23 HB1 ASP 23 13.456 13.700 -4.167 183 H LYS 24 HN LYS 24 13.699 12.941 -2.384 184 HA LYS 24 HA LYS 24 14.810 13.250 0.253 185 1HB LYS 24 HB2 LYS 24 13.954 15.628 -0.414 186 2HB LYS 24 HB1 LYS 24 12.345 14.946 -0.168 187 1HG LYS 24 HG2 LYS 24 13.486 14.100 2.131 188 2HG LYS 24 HG1 LYS 24 14.506 15.508 1.839 189 1HD LYS 24 HD2 LYS 24 12.358 16.847 1.538 190 2HD LYS 24 HD1 LYS 24 11.497 15.437 2.157 191 1HE LYS 24 HE2 LYS 24 12.991 15.521 4.189 192 2HE LYS 24 HE1 LYS 24 13.618 17.057 3.592 193 1HZ LYS 24 HZ1 LYS 24 10.813 17.113 3.500 194 2HZ LYS 24 HZ2 LYS 24 11.860 18.080 4.424 195 3HZ LYS 24 HZ3 LYS 24 11.284 16.608 5.049 196 H HIS 25 HN HIS 25 12.560 12.086 -1.962 197 HA HIS 25 HA HIS 25 11.569 10.134 -0.055 198 1HB HIS 25 HB2 HIS 25 9.071 10.989 -0.848 199 2HB HIS 25 HB1 HIS 25 9.823 11.427 0.682 200 HD2 HIS 25 HD2 HIS 25 10.341 13.038 -2.946 201 HE1 HIS 25 HE1 HIS 25 9.616 16.095 -0.123 202 HE2 HIS 25 HE2 HIS 25 10.123 15.608 -2.561 203 H LYS 26 HN LYS 26 12.841 9.170 -1.962 204 HA LYS 26 HA LYS 26 10.910 8.279 -4.050 205 1HB LYS 26 HB2 LYS 26 12.518 10.016 -4.959 206 2HB LYS 26 HB1 LYS 26 13.847 8.970 -4.471 207 1HG LYS 26 HG2 LYS 26 13.528 8.462 -6.751 208 2HG LYS 26 HG1 LYS 26 12.738 7.145 -5.893 209 1HD LYS 26 HD2 LYS 26 10.790 9.262 -6.271 210 2HD LYS 26 HD1 LYS 26 11.573 8.949 -7.818 211 1HE LYS 26 HE2 LYS 26 11.055 6.563 -7.620 212 2HE LYS 26 HE1 LYS 26 10.331 6.841 -6.036 213 1HZ LYS 26 HZ1 LYS 26 9.407 8.202 -8.504 214 2HZ LYS 26 HZ2 LYS 26 8.628 8.148 -6.995 215 3HZ LYS 26 HZ3 LYS 26 8.736 6.748 -7.949 216 H LEU 27 HN LEU 27 11.145 5.955 -4.393 217 HA LEU 27 HA LEU 27 12.931 4.650 -2.405 218 1HB LEU 27 HB2 LEU 27 10.485 4.011 -2.764 219 2HB LEU 27 HB1 LEU 27 11.000 3.286 -4.280 220 HG LEU 27 HG LEU 27 12.334 2.582 -1.648 221 1HD1 LEU 27 HD11 LEU 27 10.169 1.955 -1.130 222 2HD1 LEU 27 HD12 LEU 27 10.801 0.480 -1.853 223 3HD1 LEU 27 HD13 LEU 27 9.759 1.547 -2.797 224 1HD2 LEU 27 HD21 LEU 27 13.659 1.727 -3.374 225 2HD2 LEU 27 HD22 LEU 27 12.290 1.430 -4.439 226 3HD2 LEU 27 HD23 LEU 27 12.590 0.366 -3.069 227 H LYS 28 HN LYS 28 14.900 4.039 -2.981 228 HA LYS 28 HA LYS 28 15.503 3.430 -5.859 229 1HB LYS 28 HB2 LYS 28 17.328 4.257 -3.579 230 2HB LYS 28 HB1 LYS 28 17.882 3.818 -5.194 231 1HG LYS 28 HG2 LYS 28 16.360 5.635 -6.101 232 2HG LYS 28 HG1 LYS 28 16.110 6.153 -4.433 233 1HD LYS 28 HD2 LYS 28 18.502 6.525 -4.148 234 2HD LYS 28 HD1 LYS 28 18.817 5.916 -5.773 235 1HE LYS 28 HE2 LYS 28 17.004 8.280 -5.247 236 2HE LYS 28 HE1 LYS 28 18.733 8.456 -5.546 237 1HZ LYS 28 HZ1 LYS 28 17.909 6.796 -7.527 238 2HZ LYS 28 HZ2 LYS 28 18.179 8.466 -7.686 239 3HZ LYS 28 HZ3 LYS 28 16.612 7.881 -7.388 240 H LYS 29 HN LYS 29 16.732 1.506 -6.296 241 HA LYS 29 HA LYS 29 16.038 -0.844 -5.014 242 1HB LYS 29 HB2 LYS 29 17.277 -0.758 -7.145 243 2HB LYS 29 HB1 LYS 29 18.726 -0.240 -6.285 244 1HG LYS 29 HG2 LYS 29 19.013 -2.320 -5.237 245 2HG LYS 29 HG1 LYS 29 17.329 -2.782 -5.479 246 1HD LYS 29 HD2 LYS 29 18.986 -3.967 -6.994 247 2HD LYS 29 HD1 LYS 29 17.675 -3.139 -7.835 248 1HE LYS 29 HE2 LYS 29 19.074 -1.372 -8.531 249 2HE LYS 29 HE1 LYS 29 20.299 -1.738 -7.317 250 1HZ LYS 29 HZ1 LYS 29 19.611 -3.439 -9.652 251 2HZ LYS 29 HZ2 LYS 29 20.785 -3.798 -8.478 252 3HZ LYS 29 HZ3 LYS 29 20.992 -2.464 -9.509 253 H SER 30 HN SER 30 18.986 1.051 -4.312 254 HA SER 30 HA SER 30 20.047 -0.517 -2.247 255 1HB SER 30 HB2 SER 30 19.962 2.501 -2.080 256 2HB SER 30 HB1 SER 30 21.225 1.415 -1.505 257 HG SER 30 HG SER 30 20.554 2.167 -4.138 258 H GLU 31 HN GLU 31 17.057 1.033 -2.296 259 HA GLU 31 HA GLU 31 16.826 1.082 0.699 260 1HB GLU 31 HB2 GLU 31 14.830 2.052 -1.368 261 2HB GLU 31 HB1 GLU 31 14.747 2.297 0.375 262 1HG GLU 31 HG2 GLU 31 16.853 3.583 0.299 263 2HG GLU 31 HG1 GLU 31 16.922 3.360 -1.449 264 H LEU 32 HN LEU 32 15.431 -0.373 -2.204 265 HA LEU 32 HA LEU 32 13.479 -1.888 -0.778 266 1HB LEU 32 HB2 LEU 32 14.107 -1.495 -3.455 267 2HB LEU 32 HB1 LEU 32 14.552 -3.180 -3.222 268 HG LEU 32 HG LEU 32 11.858 -2.040 -2.400 269 1HD1 LEU 32 HD11 LEU 32 12.360 -3.750 -4.837 270 2HD1 LEU 32 HD12 LEU 32 12.397 -1.992 -4.929 271 3HD1 LEU 32 HD13 LEU 32 10.924 -2.817 -4.426 272 1HD2 LEU 32 HD21 LEU 32 12.621 -4.107 -1.250 273 2HD2 LEU 32 HD22 LEU 32 12.835 -4.884 -2.818 274 3HD2 LEU 32 HD23 LEU 32 11.223 -4.409 -2.280 275 H LYS 33 HN LYS 33 16.600 -3.035 -2.152 276 HA LYS 33 HA LYS 33 16.558 -5.504 -0.753 277 1HB LYS 33 HB2 LYS 33 18.031 -4.870 -2.669 278 2HB LYS 33 HB1 LYS 33 18.973 -3.877 -1.558 279 1HG LYS 33 HG2 LYS 33 19.452 -5.880 -0.183 280 2HG LYS 33 HG1 LYS 33 18.518 -6.862 -1.313 281 1HD LYS 33 HD2 LYS 33 20.642 -7.180 -2.202 282 2HD LYS 33 HD1 LYS 33 20.148 -5.751 -3.111 283 1HE LYS 33 HE2 LYS 33 21.226 -4.383 -1.212 284 2HE LYS 33 HE1 LYS 33 21.972 -5.897 -0.702 285 1HZ LYS 33 HZ1 LYS 33 22.176 -5.245 -3.529 286 2HZ LYS 33 HZ2 LYS 33 23.321 -5.944 -2.486 287 3HZ LYS 33 HZ3 LYS 33 23.070 -4.264 -2.473 288 H GLU 34 HN GLU 34 17.709 -2.294 0.235 289 HA GLU 34 HA GLU 34 18.897 -3.329 2.701 290 1HB GLU 34 HB2 GLU 34 19.660 -1.196 1.659 291 2HB GLU 34 HB1 GLU 34 18.096 -0.478 2.058 292 1HG GLU 34 HG2 GLU 34 18.483 -0.756 4.414 293 2HG GLU 34 HG1 GLU 34 19.920 -1.736 4.121 294 H LEU 35 HN LEU 35 15.793 -1.988 1.760 295 HA LEU 35 HA LEU 35 14.803 -1.744 4.474 296 1HB LEU 35 HB2 LEU 35 13.820 -0.411 2.674 297 2HB LEU 35 HB1 LEU 35 13.371 -1.878 1.802 298 HG LEU 35 HG LEU 35 11.831 -2.528 3.590 299 1HD1 LEU 35 HD11 LEU 35 13.023 -0.122 4.961 300 2HD1 LEU 35 HD12 LEU 35 12.786 -1.748 5.597 301 3HD1 LEU 35 HD13 LEU 35 11.404 -0.678 5.380 302 1HD2 LEU 35 HD21 LEU 35 11.359 0.393 2.975 303 2HD2 LEU 35 HD22 LEU 35 10.159 -0.880 3.197 304 3HD2 LEU 35 HD23 LEU 35 11.178 -0.872 1.759 305 H ILE 36 HN ILE 36 14.839 -4.244 2.007 306 HA ILE 36 HA ILE 36 12.926 -6.009 3.205 307 HB ILE 36 HB ILE 36 15.318 -6.645 1.463 308 1HG1 ILE 36 HG12 ILE 36 13.064 -5.088 0.822 309 2HG1 ILE 36 HG11 ILE 36 14.126 -5.877 -0.335 310 1HG2 ILE 36 HG21 ILE 36 13.952 -8.687 0.893 311 2HG2 ILE 36 HG22 ILE 36 12.864 -8.255 2.210 312 3HG2 ILE 36 HG23 ILE 36 14.549 -8.649 2.550 313 1HD1 ILE 36 HD11 ILE 36 11.670 -7.180 0.870 314 2HD1 ILE 36 HD12 ILE 36 12.664 -7.799 -0.445 315 3HD1 ILE 36 HD13 ILE 36 11.697 -6.348 -0.686 316 H ASN 37 HN ASN 37 16.433 -5.708 3.489 317 HA ASN 37 HA ASN 37 16.655 -7.935 5.357 318 1HB ASN 37 HB2 ASN 37 18.638 -5.821 4.494 319 2HB ASN 37 HB1 ASN 37 19.035 -7.193 5.529 320 1HD2 ASN 37 HD21 ASN 37 20.033 -8.793 4.298 321 2HD2 ASN 37 HD22 ASN 37 19.581 -9.235 2.723 322 H ASN 38 HN ASN 38 16.128 -4.479 5.751 323 HA ASN 38 HA ASN 38 17.044 -4.581 8.571 324 1HB ASN 38 HB2 ASN 38 16.013 -2.327 6.841 325 2HB ASN 38 HB1 ASN 38 16.491 -2.134 8.528 326 1HD2 ASN 38 HD21 ASN 38 18.472 -4.532 7.378 327 2HD2 ASN 38 HD22 ASN 38 19.794 -3.594 6.875 328 H GLU 39 HN GLU 39 14.002 -4.645 6.849 329 HA GLU 39 HA GLU 39 12.591 -4.592 9.518 330 1HB GLU 39 HB2 GLU 39 11.666 -3.299 6.936 331 2HB GLU 39 HB1 GLU 39 10.682 -3.462 8.389 332 1HG GLU 39 HG2 GLU 39 12.552 -2.248 9.633 333 2HG GLU 39 HG1 GLU 39 13.228 -1.864 8.050 334 H LEU 40 HN LEU 40 12.196 -5.487 6.080 335 HA LEU 40 HA LEU 40 10.222 -7.530 6.840 336 1HB LEU 40 HB2 LEU 40 11.408 -7.499 4.090 337 2HB LEU 40 HB1 LEU 40 9.731 -7.689 4.583 338 HG LEU 40 HG LEU 40 11.295 -5.082 4.606 339 1HD1 LEU 40 HD11 LEU 40 10.778 -5.629 2.353 340 2HD1 LEU 40 HD12 LEU 40 9.521 -4.504 2.858 341 3HD1 LEU 40 HD13 LEU 40 9.181 -6.234 2.785 342 1HD2 LEU 40 HD21 LEU 40 9.113 -4.054 5.156 343 2HD2 LEU 40 HD22 LEU 40 9.591 -5.195 6.412 344 3HD2 LEU 40 HD23 LEU 40 8.375 -5.656 5.222 345 H SER 41 HN SER 41 13.049 -7.680 7.873 346 HA SER 41 HA SER 41 14.241 -9.937 6.438 347 1HB SER 41 HB2 SER 41 15.915 -8.680 7.436 348 2HB SER 41 HB1 SER 41 14.921 -8.270 8.828 349 HG SER 41 HG SER 41 15.522 -10.956 8.463 350 H HIS 42 HN HIS 42 11.873 -9.558 8.934 351 HA HIS 42 HA HIS 42 12.326 -12.327 9.943 352 1HB HIS 42 HB2 HIS 42 10.590 -10.028 10.874 353 2HB HIS 42 HB1 HIS 42 10.429 -11.657 11.528 354 HD1 HIS 42 HD1 HIS 42 12.401 -8.593 11.860 355 HD2 HIS 42 HD2 HIS 42 12.956 -12.632 12.748 356 HE1 HIS 42 HE1 HIS 42 14.365 -8.715 13.458 357 HE2 HIS 42 HE2 HIS 42 14.713 -11.167 14.003 358 H PHE 43 HN PHE 43 10.384 -10.558 7.733 359 HA PHE 43 HA PHE 43 8.379 -12.791 7.599 360 1HB PHE 43 HB2 PHE 43 8.218 -9.868 6.828 361 2HB PHE 43 HB1 PHE 43 7.021 -11.056 6.308 362 HD1 PHE 43 HD1 PHE 43 5.197 -11.539 7.710 363 HD2 PHE 43 HD2 PHE 43 8.759 -9.829 9.398 364 HE1 PHE 43 HE1 PHE 43 4.067 -11.357 9.911 365 HE2 PHE 43 HE2 PHE 43 7.628 -9.646 11.598 366 HZ PHE 43 HZ PHE 43 5.282 -10.410 11.854 367 H LEU 44 HN LEU 44 10.642 -10.805 5.752 368 HA LEU 44 HA LEU 44 10.101 -12.463 3.324 369 1HB LEU 44 HB2 LEU 44 10.645 -9.676 3.733 370 2HB LEU 44 HB1 LEU 44 12.001 -10.332 2.831 371 HG LEU 44 HG LEU 44 10.235 -9.459 1.349 372 1HD1 LEU 44 HD11 LEU 44 11.656 -11.627 0.884 373 2HD1 LEU 44 HD12 LEU 44 10.339 -11.178 -0.198 374 3HD1 LEU 44 HD13 LEU 44 10.094 -12.439 1.005 375 1HD2 LEU 44 HD21 LEU 44 8.024 -10.065 1.448 376 2HD2 LEU 44 HD22 LEU 44 8.416 -10.300 3.146 377 3HD2 LEU 44 HD23 LEU 44 8.356 -11.683 2.053 378 H GLU 45 HN GLU 45 11.632 -13.929 2.664 379 HA GLU 45 HA GLU 45 13.690 -14.839 4.329 380 1HB GLU 45 HB2 GLU 45 13.391 -14.942 1.321 381 2HB GLU 45 HB1 GLU 45 14.730 -15.732 2.153 382 1HG GLU 45 HG2 GLU 45 12.947 -17.354 1.848 383 2HG GLU 45 HG1 GLU 45 13.056 -16.959 3.563 384 H GLU 46 HN GLU 46 15.772 -14.174 4.742 385 HA GLU 46 HA GLU 46 16.641 -11.564 4.351 386 1HB GLU 46 HB2 GLU 46 19.026 -12.627 4.508 387 2HB GLU 46 HB1 GLU 46 17.920 -12.825 5.867 388 1HG GLU 46 HG2 GLU 46 17.394 -15.055 5.273 389 2HG GLU 46 HG1 GLU 46 18.047 -14.865 3.644 390 H ILE 47 HN ILE 47 16.177 -10.861 2.203 391 HA ILE 47 HA ILE 47 17.222 -12.220 -0.125 392 HB ILE 47 HB ILE 47 16.076 -9.468 0.388 393 1HG1 ILE 47 HG12 ILE 47 15.194 -11.855 -1.267 394 2HG1 ILE 47 HG11 ILE 47 14.542 -11.393 0.300 395 1HG2 ILE 47 HG21 ILE 47 16.149 -9.116 -2.107 396 2HG2 ILE 47 HG22 ILE 47 17.220 -10.512 -2.219 397 3HG2 ILE 47 HG23 ILE 47 17.731 -9.072 -1.340 398 1HD1 ILE 47 HD11 ILE 47 13.042 -10.080 -0.746 399 2HD1 ILE 47 HD12 ILE 47 13.759 -10.467 -2.305 400 3HD1 ILE 47 HD13 ILE 47 14.357 -9.088 -1.384 401 H LYS 48 HN LYS 48 19.296 -12.246 -0.779 402 HA LYS 48 HA LYS 48 21.149 -10.063 0.140 403 1HB LYS 48 HB2 LYS 48 22.939 -11.866 -0.114 404 2HB LYS 48 HB1 LYS 48 21.832 -12.075 1.244 405 1HG LYS 48 HG2 LYS 48 20.497 -13.665 -0.051 406 2HG LYS 48 HG1 LYS 48 21.532 -13.417 -1.458 407 1HD LYS 48 HD2 LYS 48 23.466 -14.277 -0.200 408 2HD LYS 48 HD1 LYS 48 22.444 -14.514 1.219 409 1HE LYS 48 HE2 LYS 48 21.826 -15.802 -1.444 410 2HE LYS 48 HE1 LYS 48 22.848 -16.581 -0.236 411 1HZ LYS 48 HZ1 LYS 48 21.097 -17.070 1.027 412 2HZ LYS 48 HZ2 LYS 48 20.146 -16.726 -0.338 413 3HZ LYS 48 HZ3 LYS 48 20.403 -15.533 0.845 414 H GLU 49 HN GLU 49 19.730 -11.738 -2.465 415 HA GLU 49 HA GLU 49 21.773 -10.707 -4.399 416 1HB GLU 49 HB2 GLU 49 19.743 -12.938 -4.487 417 2HB GLU 49 HB1 GLU 49 20.300 -12.209 -5.994 418 1HG GLU 49 HG2 GLU 49 22.190 -13.272 -3.880 419 2HG GLU 49 HG1 GLU 49 21.619 -14.239 -5.241 420 H GLN 50 HN GLN 50 21.133 -9.165 -5.890 421 HA GLN 50 HA GLN 50 18.636 -7.752 -5.334 422 1HB GLN 50 HB2 GLN 50 19.444 -6.332 -7.314 423 2HB GLN 50 HB1 GLN 50 20.492 -6.366 -5.895 424 1HG GLN 50 HG2 GLN 50 21.980 -7.940 -6.913 425 2HG GLN 50 HG1 GLN 50 20.844 -8.267 -8.223 426 1HE2 GLN 50 HE21 GLN 50 21.331 -7.173 -10.124 427 2HE2 GLN 50 HE22 GLN 50 22.176 -5.704 -10.220 428 H GLU 51 HN GLU 51 19.745 -10.139 -7.608 429 HA GLU 51 HA GLU 51 18.173 -9.773 -9.817 430 1HB GLU 51 HB2 GLU 51 18.825 -12.337 -8.365 431 2HB GLU 51 HB1 GLU 51 18.024 -12.309 -9.937 432 1HG GLU 51 HG2 GLU 51 19.897 -11.192 -10.960 433 2HG GLU 51 HG1 GLU 51 20.661 -10.922 -9.392 434 H VAL 52 HN VAL 52 17.025 -11.015 -6.693 435 HA VAL 52 HA VAL 52 14.364 -11.494 -7.777 436 HB VAL 52 HB VAL 52 13.691 -11.844 -5.446 437 1HG1 VAL 52 HG11 VAL 52 15.097 -13.700 -4.921 438 2HG1 VAL 52 HG12 VAL 52 16.481 -12.977 -5.741 439 3HG1 VAL 52 HG13 VAL 52 15.113 -13.578 -6.680 440 1HG2 VAL 52 HG21 VAL 52 14.821 -10.029 -4.350 441 2HG2 VAL 52 HG22 VAL 52 16.398 -10.619 -4.867 442 3HG2 VAL 52 HG23 VAL 52 15.475 -11.514 -3.662 443 H VAL 53 HN VAL 53 16.029 -8.932 -6.037 444 HA VAL 53 HA VAL 53 13.709 -7.284 -5.713 445 HB VAL 53 HB VAL 53 16.413 -7.143 -4.968 446 1HG1 VAL 53 HG11 VAL 53 16.860 -5.986 -7.178 447 2HG1 VAL 53 HG12 VAL 53 17.319 -5.076 -5.744 448 3HG1 VAL 53 HG13 VAL 53 15.835 -4.670 -6.604 449 1HG2 VAL 53 HG21 VAL 53 14.341 -4.955 -4.736 450 2HG2 VAL 53 HG22 VAL 53 15.764 -5.146 -3.717 451 3HG2 VAL 53 HG23 VAL 53 14.473 -6.346 -3.663 452 H ASP 54 HN ASP 54 15.754 -8.103 -8.351 453 HA ASP 54 HA ASP 54 14.925 -5.858 -10.042 454 1HB ASP 54 HB2 ASP 54 17.091 -7.132 -10.347 455 2HB ASP 54 HB1 ASP 54 16.134 -8.509 -10.893 456 H LYS 55 HN LYS 55 13.990 -9.210 -9.450 457 HA LYS 55 HA LYS 55 12.012 -9.257 -11.602 458 1HB LYS 55 HB2 LYS 55 13.106 -11.317 -10.709 459 2HB LYS 55 HB1 LYS 55 12.262 -11.064 -9.184 460 1HG LYS 55 HG2 LYS 55 10.216 -10.920 -11.135 461 2HG LYS 55 HG1 LYS 55 11.251 -12.225 -11.695 462 1HD LYS 55 HD2 LYS 55 9.719 -13.310 -10.282 463 2HD LYS 55 HD1 LYS 55 11.133 -13.099 -9.253 464 1HE LYS 55 HE2 LYS 55 9.019 -12.466 -8.097 465 2HE LYS 55 HE1 LYS 55 10.135 -11.109 -8.234 466 1HZ LYS 55 HZ1 LYS 55 7.526 -11.207 -9.111 467 2HZ LYS 55 HZ2 LYS 55 8.470 -11.281 -10.523 468 3HZ LYS 55 HZ3 LYS 55 8.666 -9.993 -9.433 469 H VAL 56 HN VAL 56 11.792 -9.051 -8.019 470 HA VAL 56 HA VAL 56 8.996 -8.780 -7.858 471 HB VAL 56 HB VAL 56 10.871 -8.900 -5.989 472 1HG1 VAL 56 HG11 VAL 56 11.773 -6.616 -6.713 473 2HG1 VAL 56 HG12 VAL 56 11.495 -6.833 -4.988 474 3HG1 VAL 56 HG13 VAL 56 10.340 -5.922 -5.962 475 1HG2 VAL 56 HG21 VAL 56 9.268 -7.996 -4.336 476 2HG2 VAL 56 HG22 VAL 56 8.460 -9.006 -5.535 477 3HG2 VAL 56 HG23 VAL 56 8.348 -7.250 -5.644 478 H MET 57 HN MET 57 11.503 -6.367 -8.498 479 HA MET 57 HA MET 57 9.756 -4.090 -8.609 480 1HB MET 57 HB2 MET 57 12.432 -4.667 -9.906 481 2HB MET 57 HB1 MET 57 11.628 -3.103 -10.013 482 1HG MET 57 HG2 MET 57 11.999 -4.327 -7.294 483 2HG MET 57 HG1 MET 57 13.388 -3.584 -8.082 484 1HE MET 57 HE1 MET 57 13.544 -1.242 -8.912 485 2HE MET 57 HE2 MET 57 13.985 -1.356 -7.208 486 3HE MET 57 HE3 MET 57 13.033 0.017 -7.779 487 H GLU 58 HN GLU 58 10.667 -6.535 -10.997 488 HA GLU 58 HA GLU 58 9.594 -5.192 -13.294 489 1HB GLU 58 HB2 GLU 58 10.116 -8.102 -12.659 490 2HB GLU 58 HB1 GLU 58 9.366 -7.622 -14.179 491 1HG GLU 58 HG2 GLU 58 11.920 -6.300 -13.271 492 2HG GLU 58 HG1 GLU 58 11.969 -7.868 -14.076 493 H THR 59 HN THR 59 8.156 -7.281 -10.846 494 HA THR 59 HA THR 59 5.568 -7.343 -12.212 495 HB THR 59 HB THR 59 6.329 -8.132 -9.385 496 HG1 THR 59 HG1 THR 59 5.638 -9.950 -11.368 497 1HG2 THR 59 HG21 THR 59 3.807 -8.468 -11.017 498 2HG2 THR 59 HG22 THR 59 3.970 -7.686 -9.445 499 3HG2 THR 59 HG23 THR 59 4.150 -9.436 -9.584 500 H LEU 60 HN LEU 60 7.121 -5.440 -9.683 501 HA LEU 60 HA LEU 60 4.557 -4.070 -9.077 502 1HB LEU 60 HB2 LEU 60 7.285 -4.153 -7.858 503 2HB LEU 60 HB1 LEU 60 6.339 -2.692 -7.593 504 HG LEU 60 HG LEU 60 6.024 -4.351 -5.801 505 1HD1 LEU 60 HD11 LEU 60 4.090 -2.812 -6.931 506 2HD1 LEU 60 HD12 LEU 60 3.804 -3.833 -5.527 507 3HD1 LEU 60 HD13 LEU 60 3.348 -4.399 -7.130 508 1HD2 LEU 60 HD21 LEU 60 4.788 -6.081 -7.963 509 2HD2 LEU 60 HD22 LEU 60 4.869 -6.465 -6.248 510 3HD2 LEU 60 HD23 LEU 60 6.350 -6.374 -7.201 511 H ASP 61 HN ASP 61 7.748 -3.155 -10.523 512 HA ASP 61 HA ASP 61 7.167 -0.424 -10.851 513 1HB ASP 61 HB2 ASP 61 8.681 -2.227 -12.729 514 2HB ASP 61 HB1 ASP 61 8.758 -0.466 -12.682 515 H GLU 62 HN GLU 62 5.389 0.374 -11.674 516 HA GLU 62 HA GLU 62 3.948 -1.011 -13.836 517 1HB GLU 62 HB2 GLU 62 2.733 0.085 -11.925 518 2HB GLU 62 HB1 GLU 62 3.327 1.643 -12.501 519 1HG GLU 62 HG2 GLU 62 1.794 -0.226 -14.315 520 2HG GLU 62 HG1 GLU 62 0.967 0.920 -13.263 521 H ASP 63 HN ASP 63 5.675 2.015 -13.276 522 HA ASP 63 HA ASP 63 5.438 2.786 -16.103 523 1HB ASP 63 HB2 ASP 63 7.141 4.581 -15.286 524 2HB ASP 63 HB1 ASP 63 5.499 4.650 -14.644 525 H GLY 64 HN GLY 64 7.227 0.527 -14.421 526 1HA GLY 64 HA2 GLY 64 9.235 -0.603 -14.940 527 2HA GLY 64 HA1 GLY 64 8.998 -0.016 -16.590 528 H ASP 65 HN ASP 65 9.405 1.845 -13.612 529 HA ASP 65 HA ASP 65 11.552 3.415 -14.943 530 1HB ASP 65 HB2 ASP 65 11.311 4.899 -12.950 531 2HB ASP 65 HB1 ASP 65 9.791 4.669 -13.816 532 H GLY 66 HN GLY 66 11.364 0.699 -12.982 533 1HA GLY 66 HA2 GLY 66 13.106 -0.474 -11.892 534 2HA GLY 66 HA1 GLY 66 14.224 0.781 -12.439 535 H GLU 67 HN GLU 67 11.703 2.351 -11.084 536 HA GLU 67 HA GLU 67 12.851 2.339 -8.312 537 1HB GLU 67 HB2 GLU 67 11.866 4.744 -9.887 538 2HB GLU 67 HB1 GLU 67 12.449 4.768 -8.222 539 1HG GLU 67 HG2 GLU 67 14.651 3.927 -9.000 540 2HG GLU 67 HG1 GLU 67 14.065 3.979 -10.663 541 H CYS 68 HN CYS 68 11.175 3.111 -6.701 542 HA CYS 68 HA CYS 68 8.390 2.533 -7.678 543 1HB CYS 68 HB2 CYS 68 9.718 1.577 -5.137 544 2HB CYS 68 HB1 CYS 68 7.998 1.433 -5.477 545 HG CYS 68 HG CYS 68 8.451 -0.344 -7.195 546 H ASP 69 HN ASP 69 7.571 4.563 -7.689 547 HA ASP 69 HA ASP 69 8.042 6.641 -5.838 548 1HB ASP 69 HB2 ASP 69 6.679 6.659 -8.062 549 2HB ASP 69 HB1 ASP 69 5.314 6.181 -7.054 550 H PHE 70 HN PHE 70 5.686 7.352 -4.561 551 HA PHE 70 HA PHE 70 5.683 5.445 -2.354 552 1HB PHE 70 HB2 PHE 70 3.668 7.274 -1.781 553 2HB PHE 70 HB1 PHE 70 5.356 7.449 -1.325 554 HD1 PHE 70 HD1 PHE 70 6.869 8.903 -2.570 555 HD2 PHE 70 HD2 PHE 70 2.747 8.501 -3.703 556 HE1 PHE 70 HE1 PHE 70 7.069 10.911 -4.013 557 HE2 PHE 70 HE2 PHE 70 2.945 10.507 -5.145 558 HZ PHE 70 HZ PHE 70 5.105 11.714 -5.300 559 H GLN 71 HN GLN 71 3.459 6.245 -4.966 560 HA GLN 71 HA GLN 71 1.183 4.880 -3.887 561 1HB GLN 71 HB2 GLN 71 0.978 6.570 -5.668 562 2HB GLN 71 HB1 GLN 71 1.881 5.527 -6.767 563 1HG GLN 71 HG2 GLN 71 0.159 3.885 -6.781 564 2HG GLN 71 HG1 GLN 71 -0.662 4.636 -5.410 565 1HE2 GLN 71 HE21 GLN 71 -0.890 4.355 -8.724 566 2HE2 GLN 71 HE22 GLN 71 -1.712 5.800 -9.069 567 H GLU 72 HN GLU 72 3.825 3.880 -6.008 568 HA GLU 72 HA GLU 72 2.706 1.173 -6.301 569 1HB GLU 72 HB2 GLU 72 3.753 2.255 -8.217 570 2HB GLU 72 HB1 GLU 72 5.230 2.518 -7.298 571 1HG GLU 72 HG2 GLU 72 5.168 -0.150 -7.070 572 2HG GLU 72 HG1 GLU 72 4.169 -0.024 -8.513 573 H PHE 73 HN PHE 73 5.420 2.799 -4.673 574 HA PHE 73 HA PHE 73 6.770 0.522 -3.748 575 1HB PHE 73 HB2 PHE 73 7.762 2.671 -3.359 576 2HB PHE 73 HB1 PHE 73 6.344 3.226 -2.481 577 HD1 PHE 73 HD1 PHE 73 7.790 -0.165 -1.903 578 HD2 PHE 73 HD2 PHE 73 7.566 3.909 -0.540 579 HE1 PHE 73 HE1 PHE 73 8.825 -0.821 0.238 580 HE2 PHE 73 HE2 PHE 73 8.606 3.237 1.600 581 HZ PHE 73 HZ PHE 73 9.236 0.886 1.985 582 H MET 74 HN MET 74 3.946 2.152 -2.348 583 HA MET 74 HA MET 74 3.787 0.399 -0.077 584 1HB MET 74 HB2 MET 74 2.226 2.530 -1.260 585 2HB MET 74 HB1 MET 74 1.138 1.202 -0.880 586 1HG MET 74 HG2 MET 74 3.121 2.195 1.173 587 2HG MET 74 HG1 MET 74 1.580 3.008 0.940 588 1HE MET 74 HE1 MET 74 -0.359 1.314 3.506 589 2HE MET 74 HE2 MET 74 -0.723 2.112 1.976 590 3HE MET 74 HE3 MET 74 0.548 2.751 3.015 591 H ALA 75 HN ALA 75 2.462 0.349 -3.338 592 HA ALA 75 HA ALA 75 0.880 -1.978 -3.165 593 1HB ALA 75 HB1 ALA 75 1.042 -2.158 -5.508 594 2HB ALA 75 HB2 ALA 75 2.704 -1.576 -5.533 595 3HB ALA 75 HB3 ALA 75 1.381 -0.455 -5.223 596 H PHE 76 HN PHE 76 4.348 -1.719 -2.999 597 HA PHE 76 HA PHE 76 4.828 -4.556 -3.506 598 1HB PHE 76 HB2 PHE 76 6.761 -3.202 -3.817 599 2HB PHE 76 HB1 PHE 76 6.546 -2.394 -2.271 600 HD1 PHE 76 HD1 PHE 76 8.181 -2.987 -0.705 601 HD2 PHE 76 HD2 PHE 76 6.677 -5.978 -3.400 602 HE1 PHE 76 HE1 PHE 76 9.588 -4.697 0.405 603 HE2 PHE 76 HE2 PHE 76 8.086 -7.686 -2.288 604 HZ PHE 76 HZ PHE 76 9.534 -7.049 -0.380 605 H VAL 77 HN VAL 77 4.605 -2.586 -0.530 606 HA VAL 77 HA VAL 77 4.924 -4.701 1.335 607 HB VAL 77 HB VAL 77 3.255 -2.171 1.438 608 1HG1 VAL 77 HG11 VAL 77 3.750 -4.294 3.525 609 2HG1 VAL 77 HG12 VAL 77 2.218 -3.568 3.044 610 3HG1 VAL 77 HG13 VAL 77 3.383 -2.629 3.977 611 1HG2 VAL 77 HG21 VAL 77 5.858 -2.915 2.794 612 2HG2 VAL 77 HG22 VAL 77 5.084 -1.329 2.779 613 3HG2 VAL 77 HG23 VAL 77 5.756 -1.997 1.292 614 H SER 78 HN SER 78 2.174 -3.622 -0.536 615 HA SER 78 HA SER 78 0.156 -5.228 0.692 616 1HB SER 78 HB2 SER 78 -0.075 -3.258 -0.936 617 2HB SER 78 HB1 SER 78 0.235 -4.421 -2.212 618 HG SER 78 HG SER 78 -1.971 -4.324 -1.892 619 H MET 79 HN MET 79 2.513 -5.773 -1.834 620 HA MET 79 HA MET 79 1.448 -8.316 -2.697 621 1HB MET 79 HB2 MET 79 2.946 -6.836 -4.084 622 2HB MET 79 HB1 MET 79 4.268 -7.251 -2.997 623 1HG MET 79 HG2 MET 79 3.490 -9.751 -3.587 624 2HG MET 79 HG1 MET 79 2.886 -8.954 -5.039 625 1HE MET 79 HE1 MET 79 4.170 -8.880 -7.011 626 2HE MET 79 HE2 MET 79 4.525 -10.508 -6.438 627 3HE MET 79 HE3 MET 79 5.813 -9.523 -7.126 628 H VAL 80 HN VAL 80 3.610 -7.227 -0.216 629 HA VAL 80 HA VAL 80 4.541 -9.948 0.405 630 HB VAL 80 HB VAL 80 4.993 -7.265 1.766 631 1HG1 VAL 80 HG11 VAL 80 5.113 -8.892 3.495 632 2HG1 VAL 80 HG12 VAL 80 6.785 -8.627 3.002 633 3HG1 VAL 80 HG13 VAL 80 5.919 -10.060 2.448 634 1HG2 VAL 80 HG21 VAL 80 7.399 -7.828 0.991 635 2HG2 VAL 80 HG22 VAL 80 6.251 -7.303 -0.240 636 3HG2 VAL 80 HG23 VAL 80 6.638 -9.014 -0.074 637 H THR 81 HN THR 81 2.321 -7.428 1.485 638 HA THR 81 HA THR 81 1.516 -8.781 3.902 639 HB THR 81 HB THR 81 -0.171 -6.932 2.193 640 HG1 THR 81 HG1 THR 81 2.050 -6.225 2.900 641 1HG2 THR 81 HG21 THR 81 -1.065 -6.323 4.496 642 2HG2 THR 81 HG22 THR 81 -0.191 -7.729 5.105 643 3HG2 THR 81 HG23 THR 81 -1.476 -7.936 3.915 644 H THR 82 HN THR 82 0.455 -8.834 0.477 645 HA THR 82 HA THR 82 -1.830 -10.448 0.904 646 HB THR 82 HB THR 82 -1.398 -11.107 -1.527 647 HG1 THR 82 HG1 THR 82 0.845 -9.551 -0.900 648 1HG2 THR 82 HG21 THR 82 -1.954 -8.435 -0.362 649 2HG2 THR 82 HG22 THR 82 -2.837 -9.334 -1.597 650 3HG2 THR 82 HG23 THR 82 -1.410 -8.395 -2.040 651 H ALA 83 HN ALA 83 1.616 -11.417 0.268 652 HA ALA 83 HA ALA 83 1.152 -14.177 0.032 653 1HB ALA 83 HB1 ALA 83 3.451 -14.465 0.753 654 2HB ALA 83 HB2 ALA 83 3.456 -12.877 1.521 655 3HB ALA 83 HB3 ALA 83 3.372 -13.007 -0.236 656 H CYS 84 HN CYS 84 1.265 -12.076 2.866 657 HA CYS 84 HA CYS 84 1.137 -14.262 4.782 658 1HB CYS 84 HB2 CYS 84 0.318 -11.353 5.083 659 2HB CYS 84 HB1 CYS 84 0.497 -12.502 6.407 660 HG CYS 84 HG CYS 84 2.910 -11.644 4.604 661 H HIS 85 HN HIS 85 -1.087 -12.890 2.607 662 HA HIS 85 HA HIS 85 -3.464 -13.775 4.179 663 1HB HIS 85 HB2 HIS 85 -3.693 -11.583 3.170 664 2HB HIS 85 HB1 HIS 85 -3.189 -12.202 1.601 665 HD1 HIS 85 HD1 HIS 85 -5.340 -11.799 0.319 666 HD2 HIS 85 HD2 HIS 85 -5.944 -14.002 3.806 667 HE1 HIS 85 HE1 HIS 85 -7.725 -12.640 0.229 668 H GLU 86 HN GLU 86 -1.718 -14.449 1.140 669 HA GLU 86 HA GLU 86 -3.639 -16.475 0.297 670 1HB GLU 86 HB2 GLU 86 -0.763 -16.320 -0.619 671 2HB GLU 86 HB1 GLU 86 -2.163 -16.921 -1.507 672 1HG GLU 86 HG2 GLU 86 -3.094 -14.530 -1.317 673 2HG GLU 86 HG1 GLU 86 -1.463 -14.069 -0.834 674 H PHE 87 HN PHE 87 -0.437 -16.508 1.807 675 HA PHE 87 HA PHE 87 0.031 -19.259 1.978 676 1HB PHE 87 HB2 PHE 87 1.495 -17.319 2.827 677 2HB PHE 87 HB1 PHE 87 0.535 -17.391 4.305 678 HD1 PHE 87 HD1 PHE 87 2.980 -19.156 2.194 679 HD2 PHE 87 HD2 PHE 87 0.654 -19.324 5.800 680 HE1 PHE 87 HE1 PHE 87 4.355 -21.060 2.991 681 HE2 PHE 87 HE2 PHE 87 2.030 -21.228 6.598 682 HZ PHE 87 HZ PHE 87 3.878 -22.096 5.193 683 H PHE 88 HN PHE 88 -1.775 -17.263 4.342 684 HA PHE 88 HA PHE 88 -2.571 -19.472 5.987 685 1HB PHE 88 HB2 PHE 88 -2.662 -17.159 6.793 686 2HB PHE 88 HB1 PHE 88 -3.876 -16.763 5.577 687 HD1 PHE 88 HD1 PHE 88 -6.181 -17.232 5.940 688 HD2 PHE 88 HD2 PHE 88 -3.211 -18.895 8.562 689 HE1 PHE 88 HE1 PHE 88 -7.968 -17.997 7.481 690 HE2 PHE 88 HE2 PHE 88 -5.000 -19.662 10.101 691 HZ PHE 88 HZ PHE 88 -7.378 -19.210 9.561 692 H GLU 89 HN GLU 89 -3.808 -18.204 2.977 693 HA GLU 89 HA GLU 89 -6.290 -19.840 3.210 694 1HB GLU 89 HB2 GLU 89 -5.371 -17.767 1.199 695 2HB GLU 89 HB1 GLU 89 -6.847 -18.713 1.011 696 1HG GLU 89 HG2 GLU 89 -7.647 -17.860 3.206 697 2HG GLU 89 HG1 GLU 89 -6.195 -16.863 3.324 698 H HIS 90 HN HIS 90 -3.133 -20.193 2.130 699 HA HIS 90 HA HIS 90 -3.487 -21.559 -0.357 700 1HB HIS 90 HB2 HIS 90 -1.294 -20.757 0.503 701 2HB HIS 90 HB1 HIS 90 -1.348 -22.006 1.747 702 HD1 HIS 90 HD1 HIS 90 -2.694 -22.947 -1.579 703 HD2 HIS 90 HD2 HIS 90 0.947 -23.230 0.438 704 HE1 HIS 90 HE1 HIS 90 -1.275 -24.594 -2.883 705 HE2 HIS 90 HE2 HIS 90 0.942 -24.774 -1.665 706 H GLU 91 HN GLU 91 -5.083 -23.137 -0.350 707 HA GLU 91 HA GLU 91 -5.358 -25.053 1.818 708 1HB GLU 91 HB2 GLU 91 -6.483 -25.219 -0.993 709 2HB GLU 91 HB1 GLU 91 -7.068 -26.075 0.433 710 1HG GLU 91 HG2 GLU 91 -7.660 -23.938 1.494 711 2HG GLU 91 HG1 GLU 91 -7.049 -23.063 0.090 712 1H MET 0 HT1 MET 0 11.950 -2.718 16.526 713 2H MET 0 HT2 MET 0 10.867 -4.019 16.379 714 3H MET 0 HT3 MET 0 11.015 -3.195 17.858 715 HA MET 0 HA MET 0 9.047 -2.368 16.957 716 1HB MET 0 HB2 MET 0 11.394 -0.561 16.329 717 2HB MET 0 HB1 MET 0 9.718 -0.024 16.201 718 1HG MET 0 HG2 MET 0 10.539 0.588 18.397 719 2HG MET 0 HG1 MET 0 9.382 -0.730 18.593 720 1HE MET 0 HE1 MET 0 11.868 -1.526 21.391 721 2HE MET 0 HE2 MET 0 10.178 -1.643 20.908 722 3HE MET 0 HE3 MET 0 10.993 -0.082 20.864 723 H SER 1 HN SER 1 8.805 -4.067 15.173 724 HA SER 1 HA SER 1 9.636 -3.263 12.488 725 1HB SER 1 HB2 SER 1 7.968 -5.181 11.878 726 2HB SER 1 HB1 SER 1 9.475 -5.591 12.690 727 HG SER 1 HG SER 1 7.506 -6.515 13.611 728 H GLU 2 HN GLU 2 8.676 -1.147 12.486 729 HA GLU 2 HA GLU 2 5.957 -0.510 12.879 730 1HB GLU 2 HB2 GLU 2 7.603 0.687 10.646 731 2HB GLU 2 HB1 GLU 2 6.334 1.456 11.594 732 1HG GLU 2 HG2 GLU 2 8.229 2.328 12.631 733 2HG GLU 2 HG1 GLU 2 7.934 0.910 13.634 734 H LEU 3 HN LEU 3 7.547 -2.023 10.124 735 HA LEU 3 HA LEU 3 5.257 -1.842 8.377 736 1HB LEU 3 HB2 LEU 3 7.960 -3.013 8.312 737 2HB LEU 3 HB1 LEU 3 6.787 -4.006 7.458 738 HG LEU 3 HG LEU 3 8.006 -2.219 6.087 739 1HD1 LEU 3 HD11 LEU 3 5.777 -1.520 4.976 740 2HD1 LEU 3 HD12 LEU 3 5.010 -2.525 6.203 741 3HD1 LEU 3 HD13 LEU 3 6.154 -3.238 5.072 742 1HD2 LEU 3 HD21 LEU 3 7.320 -0.492 8.092 743 2HD2 LEU 3 HD22 LEU 3 6.005 -0.188 6.959 744 3HD2 LEU 3 HD23 LEU 3 7.673 0.016 6.445 745 H GLU 4 HN GLU 4 6.114 -3.991 10.964 746 HA GLU 4 HA GLU 4 4.430 -6.189 10.071 747 1HB GLU 4 HB2 GLU 4 6.231 -6.709 11.585 748 2HB GLU 4 HB1 GLU 4 5.667 -5.516 12.757 749 1HG GLU 4 HG2 GLU 4 3.761 -6.809 13.326 750 2HG GLU 4 HG1 GLU 4 3.918 -7.823 11.892 751 H LYS 5 HN LYS 5 4.036 -3.341 12.099 752 HA LYS 5 HA LYS 5 1.447 -4.083 13.149 753 1HB LYS 5 HB2 LYS 5 3.054 -1.539 12.971 754 2HB LYS 5 HB1 LYS 5 1.357 -1.447 13.443 755 1HG LYS 5 HG2 LYS 5 1.691 -2.630 15.420 756 2HG LYS 5 HG1 LYS 5 3.107 -3.476 14.806 757 1HD LYS 5 HD2 LYS 5 3.268 -0.489 15.138 758 2HD LYS 5 HD1 LYS 5 3.359 -1.498 16.580 759 1HE LYS 5 HE2 LYS 5 5.361 -2.502 15.921 760 2HE LYS 5 HE1 LYS 5 5.076 -2.194 14.208 761 1HZ LYS 5 HZ1 LYS 5 6.755 -0.709 14.971 762 2HZ LYS 5 HZ2 LYS 5 5.807 -0.206 16.288 763 3HZ LYS 5 HZ3 LYS 5 5.350 0.203 14.704 764 H ALA 6 HN ALA 6 2.487 -2.043 10.415 765 HA ALA 6 HA ALA 6 -0.118 -1.287 9.570 766 1HB ALA 6 HB1 ALA 6 1.884 -0.173 8.720 767 2HB ALA 6 HB2 ALA 6 0.970 -0.848 7.372 768 3HB ALA 6 HB3 ALA 6 2.416 -1.670 7.957 769 H MET 7 HN MET 7 1.973 -3.869 8.278 770 HA MET 7 HA MET 7 0.173 -4.954 6.438 771 1HB MET 7 HB2 MET 7 2.099 -6.458 8.241 772 2HB MET 7 HB1 MET 7 1.338 -7.128 6.800 773 1HG MET 7 HG2 MET 7 2.559 -5.740 5.355 774 2HG MET 7 HG1 MET 7 2.931 -4.575 6.626 775 1HE MET 7 HE1 MET 7 5.967 -7.055 5.056 776 2HE MET 7 HE2 MET 7 5.315 -5.438 4.817 777 3HE MET 7 HE3 MET 7 4.350 -6.844 4.374 778 H VAL 8 HN VAL 8 0.342 -5.522 9.943 779 HA VAL 8 HA VAL 8 -1.770 -7.516 9.907 780 HB VAL 8 HB VAL 8 -0.481 -5.872 12.099 781 1HG1 VAL 8 HG11 VAL 8 -2.807 -7.793 12.248 782 2HG1 VAL 8 HG12 VAL 8 -2.660 -6.189 12.969 783 3HG1 VAL 8 HG13 VAL 8 -1.737 -7.540 13.629 784 1HG2 VAL 8 HG21 VAL 8 0.778 -7.754 11.010 785 2HG2 VAL 8 HG22 VAL 8 -0.493 -8.855 11.542 786 3HG2 VAL 8 HG23 VAL 8 0.494 -8.007 12.732 787 H ALA 9 HN ALA 9 -1.642 -4.053 10.619 788 HA ALA 9 HA ALA 9 -4.362 -3.740 11.379 789 1HB ALA 9 HB1 ALA 9 -2.255 -1.918 10.270 790 2HB ALA 9 HB2 ALA 9 -3.088 -1.843 11.820 791 3HB ALA 9 HB3 ALA 9 -3.915 -1.332 10.351 792 H LEU 10 HN LEU 10 -2.850 -3.830 8.146 793 HA LEU 10 HA LEU 10 -5.381 -3.110 6.851 794 1HB LEU 10 HB2 LEU 10 -2.608 -3.774 5.949 795 2HB LEU 10 HB1 LEU 10 -3.909 -4.013 4.782 796 HG LEU 10 HG LEU 10 -4.652 -1.687 5.120 797 1HD1 LEU 10 HD11 LEU 10 -4.021 -1.302 7.411 798 2HD1 LEU 10 HD12 LEU 10 -3.099 -0.173 6.421 799 3HD1 LEU 10 HD13 LEU 10 -2.324 -1.626 7.054 800 1HD2 LEU 10 HD21 LEU 10 -2.836 -2.297 3.449 801 2HD2 LEU 10 HD22 LEU 10 -1.668 -1.731 4.642 802 3HD2 LEU 10 HD23 LEU 10 -2.848 -0.610 3.965 803 H ILE 11 HN ILE 11 -3.501 -6.161 7.107 804 HA ILE 11 HA ILE 11 -5.049 -7.856 5.575 805 HB ILE 11 HB ILE 11 -3.736 -8.315 8.262 806 1HG1 ILE 11 HG12 ILE 11 -3.047 -9.392 5.521 807 2HG1 ILE 11 HG11 ILE 11 -2.437 -7.848 6.107 808 1HG2 ILE 11 HG21 ILE 11 -5.233 -10.270 6.500 809 2HG2 ILE 11 HG22 ILE 11 -5.435 -9.994 8.230 810 3HG2 ILE 11 HG23 ILE 11 -3.982 -10.793 7.630 811 1HD1 ILE 11 HD11 ILE 11 -1.988 -10.575 7.351 812 2HD1 ILE 11 HD12 ILE 11 -1.523 -9.059 8.122 813 3HD1 ILE 11 HD13 ILE 11 -0.775 -9.538 6.599 814 H ASP 12 HN ASP 12 -5.932 -6.367 8.626 815 HA ASP 12 HA ASP 12 -8.309 -8.045 8.986 816 1HB ASP 12 HB2 ASP 12 -7.319 -5.527 10.342 817 2HB ASP 12 HB1 ASP 12 -8.868 -6.272 10.740 818 H VAL 13 HN VAL 13 -7.732 -4.625 8.100 819 HA VAL 13 HA VAL 13 -10.516 -4.211 7.370 820 HB VAL 13 HB VAL 13 -8.117 -2.521 6.572 821 1HG1 VAL 13 HG11 VAL 13 -10.046 -1.816 5.370 822 2HG1 VAL 13 HG12 VAL 13 -9.916 -0.708 6.739 823 3HG1 VAL 13 HG13 VAL 13 -11.093 -2.025 6.775 824 1HG2 VAL 13 HG21 VAL 13 -7.905 -2.579 8.901 825 2HG2 VAL 13 HG22 VAL 13 -9.636 -2.775 9.165 826 3HG2 VAL 13 HG23 VAL 13 -8.992 -1.207 8.692 827 H PHE 14 HN PHE 14 -7.654 -5.345 5.771 828 HA PHE 14 HA PHE 14 -8.606 -4.910 3.057 829 1HB PHE 14 HB2 PHE 14 -6.282 -5.176 3.168 830 2HB PHE 14 HB1 PHE 14 -6.396 -6.510 4.303 831 HD1 PHE 14 HD1 PHE 14 -5.417 -8.397 3.315 832 HD2 PHE 14 HD2 PHE 14 -8.052 -5.923 0.995 833 HE1 PHE 14 HE1 PHE 14 -5.282 -10.014 1.442 834 HE2 PHE 14 HE2 PHE 14 -7.919 -7.542 -0.879 835 HZ PHE 14 HZ PHE 14 -6.534 -9.588 -0.655 836 H HIS 15 HN HIS 15 -8.623 -7.755 5.226 837 HA HIS 15 HA HIS 15 -10.024 -9.372 3.253 838 1HB HIS 15 HB2 HIS 15 -8.475 -10.022 5.357 839 2HB HIS 15 HB1 HIS 15 -10.039 -10.140 6.155 840 HD1 HIS 15 HD1 HIS 15 -8.379 -12.679 5.702 841 HD2 HIS 15 HD2 HIS 15 -11.251 -11.334 2.996 842 HE1 HIS 15 HE1 HIS 15 -9.066 -14.690 4.328 843 H GLN 16 HN GLN 16 -10.983 -7.466 6.087 844 HA GLN 16 HA GLN 16 -13.680 -8.452 6.210 845 1HB GLN 16 HB2 GLN 16 -12.408 -5.882 7.175 846 2HB GLN 16 HB1 GLN 16 -14.094 -6.300 7.490 847 1HG GLN 16 HG2 GLN 16 -13.486 -8.238 8.741 848 2HG GLN 16 HG1 GLN 16 -11.815 -8.163 8.183 849 1HE2 GLN 16 HE21 GLN 16 -13.870 -5.491 9.438 850 2HE2 GLN 16 HE22 GLN 16 -12.848 -5.116 10.740 851 H TYR 17 HN TYR 17 -12.233 -5.682 4.492 852 HA TYR 17 HA TYR 17 -14.881 -4.963 3.382 853 1HB TYR 17 HB2 TYR 17 -12.129 -3.743 3.281 854 2HB TYR 17 HB1 TYR 17 -13.336 -3.264 2.086 855 HD1 TYR 17 HD1 TYR 17 -15.185 -1.867 2.669 856 HD2 TYR 17 HD2 TYR 17 -12.633 -3.458 5.737 857 HE1 TYR 17 HE1 TYR 17 -16.278 -0.398 4.339 858 HE2 TYR 17 HE2 TYR 17 -13.727 -1.985 7.407 859 HH TYR 17 HH TYR 17 -15.093 0.459 7.091 860 H SER 18 HN SER 18 -11.694 -5.859 1.971 861 HA SER 18 HA SER 18 -12.652 -6.275 -0.656 862 1HB SER 18 HB2 SER 18 -10.222 -6.431 0.291 863 2HB SER 18 HB1 SER 18 -10.610 -8.123 0.586 864 HG SER 18 HG SER 18 -11.193 -6.973 -1.909 865 H GLY 19 HN GLY 19 -13.180 -8.029 2.261 866 1HA GLY 19 HA2 GLY 19 -14.304 -10.384 0.815 867 2HA GLY 19 HA1 GLY 19 -13.931 -10.321 2.536 868 H ARG 20 HN ARG 20 -15.427 -7.417 1.820 869 HA ARG 20 HA ARG 20 -17.803 -8.030 3.276 870 1HB ARG 20 HB2 ARG 20 -16.982 -5.722 2.936 871 2HB ARG 20 HB1 ARG 20 -17.328 -5.844 1.217 872 1HG ARG 20 HG2 ARG 20 -19.756 -6.279 1.856 873 2HG ARG 20 HG1 ARG 20 -19.309 -5.861 3.510 874 1HD ARG 20 HD2 ARG 20 -18.456 -3.667 2.673 875 2HD ARG 20 HD1 ARG 20 -19.041 -4.091 1.062 876 HE ARG 20 HE ARG 20 -20.685 -3.198 3.289 877 1HH1 ARG 20 HH21 ARG 20 -20.492 -5.126 0.437 878 2HH1 ARG 20 HH22 ARG 20 -22.192 -5.059 0.114 879 1HH2 ARG 20 HH11 ARG 20 -22.908 -3.099 2.886 880 2HH2 ARG 20 HH12 ARG 20 -23.560 -3.909 1.501 881 H GLU 21 HN GLU 21 -17.105 -7.910 -0.180 882 HA GLU 21 HA GLU 21 -19.349 -9.771 -0.689 883 1HB GLU 21 HB2 GLU 21 -20.001 -8.137 -2.675 884 2HB GLU 21 HB1 GLU 21 -20.655 -7.872 -1.059 885 1HG GLU 21 HG2 GLU 21 -18.954 -6.207 -0.580 886 2HG GLU 21 HG1 GLU 21 -18.144 -6.541 -2.111 887 H GLY 22 HN GLY 22 -19.323 -10.380 -3.114 888 1HA GLY 22 HA2 GLY 22 -18.081 -10.760 -5.140 889 2HA GLY 22 HA1 GLY 22 -16.651 -10.064 -4.373 890 H ASP 23 HN ASP 23 -15.599 -12.081 -5.235 891 HA ASP 23 HA ASP 23 -16.231 -14.707 -4.479 892 1HB ASP 23 HB2 ASP 23 -14.361 -14.050 -6.012 893 2HB ASP 23 HB1 ASP 23 -13.440 -13.524 -4.603 894 H LYS 24 HN LYS 24 -13.695 -12.813 -2.812 895 HA LYS 24 HA LYS 24 -14.823 -13.187 -0.192 896 1HB LYS 24 HB2 LYS 24 -13.984 -15.552 -0.905 897 2HB LYS 24 HB1 LYS 24 -12.371 -14.890 -0.653 898 1HG LYS 24 HG2 LYS 24 -13.485 -14.079 1.666 899 2HG LYS 24 HG1 LYS 24 -14.528 -15.465 1.355 900 1HD LYS 24 HD2 LYS 24 -12.379 -16.815 0.999 901 2HD LYS 24 HD1 LYS 24 -11.522 -15.434 1.685 902 1HE LYS 24 HE2 LYS 24 -13.071 -15.591 3.683 903 2HE LYS 24 HE1 LYS 24 -13.652 -17.120 3.022 904 1HZ LYS 24 HZ1 LYS 24 -11.873 -18.145 3.813 905 2HZ LYS 24 HZ2 LYS 24 -11.398 -16.704 4.575 906 3HZ LYS 24 HZ3 LYS 24 -10.829 -17.073 3.017 907 H HIS 25 HN HIS 25 -12.553 -11.970 -2.360 908 HA HIS 25 HA HIS 25 -11.568 -10.078 -0.391 909 1HB HIS 25 HB2 HIS 25 -9.068 -10.917 -1.193 910 2HB HIS 25 HB1 HIS 25 -9.831 -11.397 0.319 911 HD2 HIS 25 HD2 HIS 25 -10.332 -12.903 -3.354 912 HE1 HIS 25 HE1 HIS 25 -9.631 -16.041 -0.615 913 HE2 HIS 25 HE2 HIS 25 -10.128 -15.483 -3.039 914 H LYS 26 HN LYS 26 -12.828 -9.059 -2.281 915 HA LYS 26 HA LYS 26 -10.883 -8.115 -4.331 916 1HB LYS 26 HB2 LYS 26 -12.485 -9.825 -5.294 917 2HB LYS 26 HB1 LYS 26 -13.817 -8.795 -4.787 918 1HG LYS 26 HG2 LYS 26 -13.488 -8.228 -7.051 919 2HG LYS 26 HG1 LYS 26 -12.702 -6.932 -6.157 920 1HD LYS 26 HD2 LYS 26 -10.752 -9.041 -6.580 921 2HD LYS 26 HD1 LYS 26 -11.528 -8.689 -8.121 922 1HE LYS 26 HE2 LYS 26 -11.007 -6.310 -7.863 923 2HE LYS 26 HE1 LYS 26 -10.292 -6.625 -6.281 924 1HZ LYS 26 HZ1 LYS 26 -8.725 -6.494 -8.261 925 2HZ LYS 26 HZ2 LYS 26 -9.348 -8.005 -8.724 926 3HZ LYS 26 HZ3 LYS 26 -8.550 -7.832 -7.234 927 H LEU 27 HN LEU 27 -11.109 -5.784 -4.614 928 HA LEU 27 HA LEU 27 -12.906 -4.527 -2.604 929 1HB LEU 27 HB2 LEU 27 -10.453 -3.891 -2.929 930 2HB LEU 27 HB1 LEU 27 -10.955 -3.122 -4.427 931 HG LEU 27 HG LEU 27 -12.303 -2.484 -1.784 932 1HD1 LEU 27 HD11 LEU 27 -10.138 -1.882 -1.235 933 2HD1 LEU 27 HD12 LEU 27 -10.756 -0.384 -1.925 934 3HD1 LEU 27 HD13 LEU 27 -9.715 -1.434 -2.888 935 1HD2 LEU 27 HD21 LEU 27 -12.539 -0.229 -3.143 936 2HD2 LEU 27 HD22 LEU 27 -13.613 -1.573 -3.494 937 3HD2 LEU 27 HD23 LEU 27 -12.236 -1.257 -4.542 938 H LYS 28 HN LYS 28 -14.864 -3.894 -3.176 939 HA LYS 28 HA LYS 28 -15.451 -3.208 -6.038 940 1HB LYS 28 HB2 LYS 28 -17.277 -4.105 -3.785 941 2HB LYS 28 HB1 LYS 28 -17.838 -3.601 -5.380 942 1HG LYS 28 HG2 LYS 28 -16.332 -5.380 -6.368 943 2HG LYS 28 HG1 LYS 28 -16.057 -5.962 -4.725 944 1HD LYS 28 HD2 LYS 28 -18.453 -6.344 -4.428 945 2HD LYS 28 HD1 LYS 28 -18.778 -5.689 -6.033 946 1HE LYS 28 HE2 LYS 28 -16.958 -8.062 -5.576 947 2HE LYS 28 HE1 LYS 28 -18.685 -8.233 -5.883 948 1HZ LYS 28 HZ1 LYS 28 -18.427 -7.742 -8.031 949 2HZ LYS 28 HZ2 LYS 28 -16.778 -8.076 -7.785 950 3HZ LYS 28 HZ3 LYS 28 -17.342 -6.475 -7.724 951 H LYS 29 HN LYS 29 -16.670 -1.266 -6.430 952 HA LYS 29 HA LYS 29 -15.973 1.045 -5.081 953 1HB LYS 29 HB2 LYS 29 -17.195 1.031 -7.220 954 2HB LYS 29 HB1 LYS 29 -18.652 0.484 -6.391 955 1HG LYS 29 HG2 LYS 29 -18.947 2.530 -5.276 956 2HG LYS 29 HG1 LYS 29 -17.263 3.002 -5.493 957 1HD LYS 29 HD2 LYS 29 -18.931 4.225 -6.978 958 2HD LYS 29 HD1 LYS 29 -17.594 3.452 -7.829 959 1HE LYS 29 HE2 LYS 29 -18.952 1.701 -8.627 960 2HE LYS 29 HE1 LYS 29 -20.195 1.979 -7.407 961 1HZ LYS 29 HZ1 LYS 29 -19.815 3.245 -9.965 962 2HZ LYS 29 HZ2 LYS 29 -20.102 4.341 -8.698 963 3HZ LYS 29 HZ3 LYS 29 -21.217 3.101 -9.023 964 H SER 30 HN SER 30 -18.932 -0.861 -4.450 965 HA SER 30 HA SER 30 -20.001 0.656 -2.351 966 1HB SER 30 HB2 SER 30 -19.932 -2.364 -2.261 967 2HB SER 30 HB1 SER 30 -21.193 -1.287 -1.664 968 HG SER 30 HG SER 30 -20.437 -1.766 -4.361 969 H GLU 31 HN GLU 31 -17.019 -0.902 -2.421 970 HA GLU 31 HA GLU 31 -16.808 -1.035 0.574 971 1HB GLU 31 HB2 GLU 31 -14.801 -1.956 -1.506 972 2HB GLU 31 HB1 GLU 31 -14.730 -2.249 0.229 973 1HG GLU 31 HG2 GLU 31 -16.839 -3.524 0.104 974 2HG GLU 31 HG1 GLU 31 -16.895 -3.252 -1.639 975 H LEU 32 HN LEU 32 -15.392 0.496 -2.279 976 HA LEU 32 HA LEU 32 -13.442 1.962 -0.797 977 1HB LEU 32 HB2 LEU 32 -14.040 1.638 -3.489 978 2HB LEU 32 HB1 LEU 32 -14.493 3.316 -3.219 979 HG LEU 32 HG LEU 32 -11.806 2.159 -2.401 980 1HD1 LEU 32 HD11 LEU 32 -12.713 3.471 -4.962 981 2HD1 LEU 32 HD12 LEU 32 -11.765 2.001 -4.752 982 3HD1 LEU 32 HD13 LEU 32 -11.035 3.575 -4.430 983 1HD2 LEU 32 HD21 LEU 32 -11.196 4.587 -2.340 984 2HD2 LEU 32 HD22 LEU 32 -12.455 4.172 -1.177 985 3HD2 LEU 32 HD23 LEU 32 -12.880 4.986 -2.683 986 H LYS 33 HN LYS 33 -16.552 3.158 -2.161 987 HA LYS 33 HA LYS 33 -16.505 5.590 -0.696 988 1HB LYS 33 HB2 LYS 33 -17.968 5.022 -2.638 989 2HB LYS 33 HB1 LYS 33 -18.922 3.994 -1.568 990 1HG LYS 33 HG2 LYS 33 -19.407 5.953 -0.133 991 2HG LYS 33 HG1 LYS 33 -18.463 6.970 -1.222 992 1HD LYS 33 HD2 LYS 33 -20.577 7.321 -2.119 993 2HD LYS 33 HD1 LYS 33 -20.082 5.918 -3.067 994 1HE LYS 33 HE2 LYS 33 -21.180 4.497 -1.220 995 2HE LYS 33 HE1 LYS 33 -21.919 5.998 -0.665 996 1HZ LYS 33 HZ1 LYS 33 -23.355 5.978 -2.345 997 2HZ LYS 33 HZ2 LYS 33 -22.882 4.369 -2.621 998 3HZ LYS 33 HZ3 LYS 33 -22.154 5.633 -3.493 999 H GLU 34 HN GLU 34 -17.676 2.359 0.197 1000 HA GLU 34 HA GLU 34 -18.877 3.330 2.683 1001 1HB GLU 34 HB2 GLU 34 -19.643 1.231 1.577 1002 2HB GLU 34 HB1 GLU 34 -18.085 0.494 1.966 1003 1HG GLU 34 HG2 GLU 34 -18.485 0.709 4.329 1004 2HG GLU 34 HG1 GLU 34 -19.917 1.700 4.052 1005 H LEU 35 HN LEU 35 -15.770 2.004 1.724 1006 HA LEU 35 HA LEU 35 -14.801 1.682 4.435 1007 1HB LEU 35 HB2 LEU 35 -13.808 0.396 2.608 1008 2HB LEU 35 HB1 LEU 35 -13.350 1.884 1.778 1009 HG LEU 35 HG LEU 35 -11.821 2.482 3.593 1010 1HD1 LEU 35 HD11 LEU 35 -11.406 0.592 5.337 1011 2HD1 LEU 35 HD12 LEU 35 -13.014 0.033 4.886 1012 3HD1 LEU 35 HD13 LEU 35 -12.801 1.643 5.569 1013 1HD2 LEU 35 HD21 LEU 35 -11.170 0.855 1.718 1014 2HD2 LEU 35 HD22 LEU 35 -11.335 -0.424 2.921 1015 3HD2 LEU 35 HD23 LEU 35 -10.145 0.857 3.153 1016 H ILE 36 HN ILE 36 -14.808 4.247 2.037 1017 HA ILE 36 HA ILE 36 -12.900 5.976 3.297 1018 HB ILE 36 HB ILE 36 -15.276 6.664 1.554 1019 1HG1 ILE 36 HG12 ILE 36 -13.023 5.120 0.886 1020 2HG1 ILE 36 HG11 ILE 36 -14.069 5.950 -0.258 1021 1HG2 ILE 36 HG21 ILE 36 -13.895 8.721 1.058 1022 2HG2 ILE 36 HG22 ILE 36 -12.832 8.247 2.379 1023 3HG2 ILE 36 HG23 ILE 36 -14.521 8.636 2.703 1024 1HD1 ILE 36 HD11 ILE 36 -11.657 6.432 -0.597 1025 2HD1 ILE 36 HD12 ILE 36 -11.594 7.164 1.006 1026 3HD1 ILE 36 HD13 ILE 36 -12.590 7.884 -0.257 1027 H ASN 37 HN ASN 37 -16.410 5.674 3.550 1028 HA ASN 37 HA ASN 37 -16.638 7.852 5.476 1029 1HB ASN 37 HB2 ASN 37 -18.622 5.768 4.547 1030 2HB ASN 37 HB1 ASN 37 -19.021 7.113 5.616 1031 1HD2 ASN 37 HD21 ASN 37 -20.015 8.739 4.419 1032 2HD2 ASN 37 HD22 ASN 37 -19.552 9.226 2.860 1033 H ASN 38 HN ASN 38 -16.124 4.388 5.780 1034 HA ASN 38 HA ASN 38 -17.056 4.414 8.593 1035 1HB ASN 38 HB2 ASN 38 -16.022 2.207 6.807 1036 2HB ASN 38 HB1 ASN 38 -16.510 1.968 8.486 1037 1HD2 ASN 38 HD21 ASN 38 -18.476 4.403 7.392 1038 2HD2 ASN 38 HD22 ASN 38 -19.799 3.483 6.857 1039 H GLU 39 HN GLU 39 -14.004 4.514 6.893 1040 HA GLU 39 HA GLU 39 -12.608 4.380 9.566 1041 1HB GLU 39 HB2 GLU 39 -11.683 3.160 6.949 1042 2HB GLU 39 HB1 GLU 39 -10.697 3.278 8.406 1043 1HG GLU 39 HG2 GLU 39 -12.583 2.038 9.613 1044 2HG GLU 39 HG1 GLU 39 -13.245 1.695 8.016 1045 H LEU 40 HN LEU 40 -12.190 5.373 6.159 1046 HA LEU 40 HA LEU 40 -10.216 7.390 6.988 1047 1HB LEU 40 HB2 LEU 40 -11.381 7.436 4.230 1048 2HB LEU 40 HB1 LEU 40 -9.707 7.608 4.741 1049 HG LEU 40 HG LEU 40 -11.276 5.004 4.682 1050 1HD1 LEU 40 HD11 LEU 40 -9.222 6.254 2.861 1051 2HD1 LEU 40 HD12 LEU 40 -10.769 5.518 2.444 1052 3HD1 LEU 40 HD13 LEU 40 -9.418 4.502 2.939 1053 1HD2 LEU 40 HD21 LEU 40 -9.607 5.013 6.495 1054 2HD2 LEU 40 HD22 LEU 40 -8.374 5.591 5.375 1055 3HD2 LEU 40 HD23 LEU 40 -9.055 3.973 5.180 1056 H SER 41 HN SER 41 -13.048 7.519 8.007 1057 HA SER 41 HA SER 41 -14.225 9.818 6.629 1058 1HB SER 41 HB2 SER 41 -15.905 8.535 7.581 1059 2HB SER 41 HB1 SER 41 -14.921 8.091 8.971 1060 HG SER 41 HG SER 41 -15.894 10.711 8.468 1061 H HIS 42 HN HIS 42 -11.874 9.362 9.128 1062 HA HIS 42 HA HIS 42 -12.325 12.105 10.211 1063 1HB HIS 42 HB2 HIS 42 -10.604 9.773 11.085 1064 2HB HIS 42 HB1 HIS 42 -10.438 11.384 11.786 1065 HD1 HIS 42 HD1 HIS 42 -12.427 8.321 12.020 1066 HD2 HIS 42 HD2 HIS 42 -12.969 12.334 13.021 1067 HE1 HIS 42 HE1 HIS 42 -14.394 8.403 13.617 1068 HE2 HIS 42 HE2 HIS 42 -14.734 10.840 14.229 1069 H PHE 43 HN PHE 43 -10.376 10.393 7.958 1070 HA PHE 43 HA PHE 43 -8.361 12.621 7.901 1071 1HB PHE 43 HB2 PHE 43 -8.204 9.721 7.052 1072 2HB PHE 43 HB1 PHE 43 -7.002 10.920 6.573 1073 HD1 PHE 43 HD1 PHE 43 -5.184 11.361 7.998 1074 HD2 PHE 43 HD2 PHE 43 -8.760 9.613 9.618 1075 HE1 PHE 43 HE1 PHE 43 -4.069 11.115 10.199 1076 HE2 PHE 43 HE2 PHE 43 -7.643 9.367 11.818 1077 HZ PHE 43 HZ PHE 43 -5.298 10.118 12.109 1078 H LEU 44 HN LEU 44 -10.622 10.697 5.989 1079 HA LEU 44 HA LEU 44 -10.056 12.417 3.611 1080 1HB LEU 44 HB2 LEU 44 -10.614 9.620 3.937 1081 2HB LEU 44 HB1 LEU 44 -11.958 10.309 3.042 1082 HG LEU 44 HG LEU 44 -10.182 9.470 1.553 1083 1HD1 LEU 44 HD11 LEU 44 -11.596 11.638 1.122 1084 2HD1 LEU 44 HD12 LEU 44 -10.251 11.241 0.052 1085 3HD1 LEU 44 HD13 LEU 44 -10.046 12.461 1.305 1086 1HD2 LEU 44 HD21 LEU 44 -8.376 10.265 3.388 1087 2HD2 LEU 44 HD22 LEU 44 -8.301 11.668 2.322 1088 3HD2 LEU 44 HD23 LEU 44 -7.969 10.061 1.689 1089 H GLU 45 HN GLU 45 -11.580 13.906 2.979 1090 HA GLU 45 HA GLU 45 -13.645 14.772 4.659 1091 1HB GLU 45 HB2 GLU 45 -13.342 14.964 1.655 1092 2HB GLU 45 HB1 GLU 45 -14.673 15.737 2.516 1093 1HG GLU 45 HG2 GLU 45 -12.875 17.351 2.248 1094 2HG GLU 45 HG1 GLU 45 -12.997 16.915 3.952 1095 H GLU 46 HN GLU 46 -15.731 14.104 5.040 1096 HA GLU 46 HA GLU 46 -16.604 11.509 4.572 1097 1HB GLU 46 HB2 GLU 46 -18.985 12.569 4.747 1098 2HB GLU 46 HB1 GLU 46 -17.885 12.737 6.115 1099 1HG GLU 46 HG2 GLU 46 -17.355 14.980 5.572 1100 2HG GLU 46 HG1 GLU 46 -18.002 14.827 3.938 1101 H ILE 47 HN ILE 47 -16.131 10.861 2.408 1102 HA ILE 47 HA ILE 47 -17.156 12.289 0.114 1103 HB ILE 47 HB ILE 47 -16.020 9.523 0.558 1104 1HG1 ILE 47 HG12 ILE 47 -15.121 11.948 -1.034 1105 2HG1 ILE 47 HG11 ILE 47 -14.482 11.447 0.527 1106 1HG2 ILE 47 HG21 ILE 47 -17.663 9.173 -1.190 1107 2HG2 ILE 47 HG22 ILE 47 -16.080 9.239 -1.948 1108 3HG2 ILE 47 HG23 ILE 47 -17.152 10.638 -2.025 1109 1HD1 ILE 47 HD11 ILE 47 -12.977 10.160 -0.544 1110 2HD1 ILE 47 HD12 ILE 47 -13.692 10.574 -2.098 1111 3HD1 ILE 47 HD13 ILE 47 -14.289 9.178 -1.201 1112 H LYS 48 HN LYS 48 -19.227 12.340 -0.553 1113 HA LYS 48 HA LYS 48 -21.089 10.136 0.294 1114 1HB LYS 48 HB2 LYS 48 -22.873 11.947 0.089 1115 2HB LYS 48 HB1 LYS 48 -21.766 12.125 1.449 1116 1HG LYS 48 HG2 LYS 48 -20.429 13.743 0.187 1117 2HG LYS 48 HG1 LYS 48 -21.471 13.532 -1.221 1118 1HD LYS 48 HD2 LYS 48 -23.399 14.368 0.064 1119 2HD LYS 48 HD1 LYS 48 -22.374 14.559 1.487 1120 1HE LYS 48 HE2 LYS 48 -21.755 15.924 -1.138 1121 2HE LYS 48 HE1 LYS 48 -22.772 16.670 0.095 1122 1HZ LYS 48 HZ1 LYS 48 -20.490 17.361 0.355 1123 2HZ LYS 48 HZ2 LYS 48 -19.972 15.746 0.458 1124 3HZ LYS 48 HZ3 LYS 48 -20.950 16.408 1.679 1125 H GLU 49 HN GLU 49 -19.651 11.878 -2.257 1126 HA GLU 49 HA GLU 49 -21.686 10.906 -4.230 1127 1HB GLU 49 HB2 GLU 49 -19.650 13.135 -4.248 1128 2HB GLU 49 HB1 GLU 49 -20.203 12.447 -5.775 1129 1HG GLU 49 HG2 GLU 49 -22.102 13.451 -3.641 1130 2HG GLU 49 HG1 GLU 49 -21.521 14.460 -4.967 1131 H GLN 50 HN GLN 50 -21.043 9.401 -5.754 1132 HA GLN 50 HA GLN 50 -18.554 7.968 -5.224 1133 1HB GLN 50 HB2 GLN 50 -19.357 6.601 -7.245 1134 2HB GLN 50 HB1 GLN 50 -20.413 6.604 -5.831 1135 1HG GLN 50 HG2 GLN 50 -21.889 8.206 -6.817 1136 2HG GLN 50 HG1 GLN 50 -20.743 8.567 -8.108 1137 1HE2 GLN 50 HE21 GLN 50 -21.208 7.522 -10.045 1138 2HE2 GLN 50 HE22 GLN 50 -22.059 6.060 -10.186 1139 H GLU 51 HN GLU 51 -19.641 10.415 -7.443 1140 HA GLU 51 HA GLU 51 -18.057 10.108 -9.652 1141 1HB GLU 51 HB2 GLU 51 -18.712 12.629 -8.128 1142 2HB GLU 51 HB1 GLU 51 -17.899 12.648 -9.693 1143 1HG GLU 51 HG2 GLU 51 -19.765 11.568 -10.766 1144 2HG GLU 51 HG1 GLU 51 -20.544 11.253 -9.214 1145 H VAL 52 HN VAL 52 -16.923 11.262 -6.487 1146 HA VAL 52 HA VAL 52 -14.253 11.762 -7.543 1147 HB VAL 52 HB VAL 52 -13.595 12.052 -5.201 1148 1HG1 VAL 52 HG11 VAL 52 -16.318 13.214 -5.858 1149 2HG1 VAL 52 HG12 VAL 52 -14.746 13.950 -6.172 1150 3HG1 VAL 52 HG13 VAL 52 -15.316 13.758 -4.514 1151 1HG2 VAL 52 HG21 VAL 52 -16.313 10.828 -4.669 1152 2HG2 VAL 52 HG22 VAL 52 -15.387 11.685 -3.436 1153 3HG2 VAL 52 HG23 VAL 52 -14.741 10.211 -4.160 1154 H VAL 53 HN VAL 53 -15.935 9.160 -5.883 1155 HA VAL 53 HA VAL 53 -13.623 7.498 -5.587 1156 HB VAL 53 HB VAL 53 -16.336 7.349 -4.872 1157 1HG1 VAL 53 HG11 VAL 53 -15.746 4.907 -6.549 1158 2HG1 VAL 53 HG12 VAL 53 -16.756 6.239 -7.115 1159 3HG1 VAL 53 HG13 VAL 53 -17.240 5.307 -5.705 1160 1HG2 VAL 53 HG21 VAL 53 -14.197 5.225 -4.648 1161 2HG2 VAL 53 HG22 VAL 53 -15.692 5.256 -3.715 1162 3HG2 VAL 53 HG23 VAL 53 -14.494 6.534 -3.507 1163 H ASP 54 HN ASP 54 -15.648 8.395 -8.215 1164 HA ASP 54 HA ASP 54 -14.818 6.194 -9.963 1165 1HB ASP 54 HB2 ASP 54 -16.977 7.490 -10.246 1166 2HB ASP 54 HB1 ASP 54 -16.007 8.875 -10.751 1167 H LYS 55 HN LYS 55 -13.874 9.522 -9.272 1168 HA LYS 55 HA LYS 55 -11.885 9.625 -11.410 1169 1HB LYS 55 HB2 LYS 55 -12.980 11.662 -10.464 1170 2HB LYS 55 HB1 LYS 55 -12.145 11.364 -8.943 1171 1HG LYS 55 HG2 LYS 55 -10.091 11.272 -10.889 1172 2HG LYS 55 HG1 LYS 55 -11.121 12.597 -11.412 1173 1HD LYS 55 HD2 LYS 55 -9.587 13.633 -9.959 1174 2HD LYS 55 HD1 LYS 55 -11.007 13.397 -8.945 1175 1HE LYS 55 HE2 LYS 55 -8.899 12.722 -7.801 1176 2HE LYS 55 HE1 LYS 55 -10.024 11.377 -7.977 1177 1HZ LYS 55 HZ1 LYS 55 -7.407 11.523 -8.877 1178 2HZ LYS 55 HZ2 LYS 55 -8.387 11.560 -10.265 1179 3HZ LYS 55 HZ3 LYS 55 -8.528 10.280 -9.156 1180 H VAL 56 HN VAL 56 -11.688 9.321 -7.832 1181 HA VAL 56 HA VAL 56 -8.894 9.038 -7.660 1182 HB VAL 56 HB VAL 56 -10.779 9.111 -5.800 1183 1HG1 VAL 56 HG11 VAL 56 -10.254 6.133 -5.852 1184 2HG1 VAL 56 HG12 VAL 56 -11.684 6.849 -6.588 1185 3HG1 VAL 56 HG13 VAL 56 -11.410 7.018 -4.856 1186 1HG2 VAL 56 HG21 VAL 56 -9.170 7.991 -4.190 1187 2HG2 VAL 56 HG22 VAL 56 -8.463 9.256 -5.197 1188 3HG2 VAL 56 HG23 VAL 56 -8.189 7.558 -5.591 1189 H MET 57 HN MET 57 -11.402 6.648 -8.378 1190 HA MET 57 HA MET 57 -9.662 4.372 -8.543 1191 1HB MET 57 HB2 MET 57 -12.331 4.992 -9.832 1192 2HB MET 57 HB1 MET 57 -11.532 3.429 -9.981 1193 1HG MET 57 HG2 MET 57 -11.900 4.578 -7.230 1194 2HG MET 57 HG1 MET 57 -13.294 3.866 -8.040 1195 1HE MET 57 HE1 MET 57 -13.911 1.626 -7.258 1196 2HE MET 57 HE2 MET 57 -12.959 0.257 -7.842 1197 3HE MET 57 HE3 MET 57 -13.435 1.533 -8.961 1198 H GLU 58 HN GLU 58 -10.551 6.881 -10.869 1199 HA GLU 58 HA GLU 58 -9.470 5.596 -13.194 1200 1HB GLU 58 HB2 GLU 58 -9.994 8.487 -12.483 1201 2HB GLU 58 HB1 GLU 58 -9.233 8.052 -14.010 1202 1HG GLU 58 HG2 GLU 58 -11.789 6.698 -13.157 1203 2HG GLU 58 HG1 GLU 58 -11.840 8.290 -13.910 1204 H THR 59 HN THR 59 -8.040 7.615 -10.686 1205 HA THR 59 HA THR 59 -5.445 7.704 -12.038 1206 HB THR 59 HB THR 59 -6.224 8.424 -9.197 1207 HG1 THR 59 HG1 THR 59 -7.149 9.910 -10.434 1208 1HG2 THR 59 HG21 THR 59 -3.676 8.737 -10.784 1209 2HG2 THR 59 HG22 THR 59 -3.884 7.995 -9.198 1210 3HG2 THR 59 HG23 THR 59 -4.033 9.743 -9.382 1211 H LEU 60 HN LEU 60 -7.020 5.739 -9.571 1212 HA LEU 60 HA LEU 60 -4.463 4.353 -8.974 1213 1HB LEU 60 HB2 LEU 60 -7.203 4.402 -7.780 1214 2HB LEU 60 HB1 LEU 60 -6.260 2.934 -7.545 1215 HG LEU 60 HG LEU 60 -5.962 4.562 -5.712 1216 1HD1 LEU 60 HD11 LEU 60 -3.267 4.612 -7.003 1217 2HD1 LEU 60 HD12 LEU 60 -4.022 3.027 -6.852 1218 3HD1 LEU 60 HD13 LEU 60 -3.752 4.013 -5.420 1219 1HD2 LEU 60 HD21 LEU 60 -6.219 6.562 -7.289 1220 2HD2 LEU 60 HD22 LEU 60 -4.524 6.314 -7.705 1221 3HD2 LEU 60 HD23 LEU 60 -4.975 6.702 -6.047 1222 H ASP 61 HN ASP 61 -7.645 3.481 -10.471 1223 HA ASP 61 HA ASP 61 -7.072 0.757 -10.873 1224 1HB ASP 61 HB2 ASP 61 -8.568 2.624 -12.703 1225 2HB ASP 61 HB1 ASP 61 -8.651 0.863 -12.716 1226 H GLU 62 HN GLU 62 -5.289 -0.021 -11.705 1227 HA GLU 62 HA GLU 62 -3.829 1.419 -13.816 1228 1HB GLU 62 HB2 GLU 62 -2.635 0.264 -11.930 1229 2HB GLU 62 HB1 GLU 62 -3.230 -1.273 -12.552 1230 1HG GLU 62 HG2 GLU 62 -1.672 0.636 -14.299 1231 2HG GLU 62 HG1 GLU 62 -0.862 -0.547 -13.275 1232 H ASP 63 HN ASP 63 -5.570 -1.615 -13.353 1233 HA ASP 63 HA ASP 63 -5.317 -2.310 -16.196 1234 1HB ASP 63 HB2 ASP 63 -7.021 -4.126 -15.441 1235 2HB ASP 63 HB1 ASP 63 -5.385 -4.211 -14.784 1236 H GLY 64 HN GLY 64 -7.108 -0.093 -14.471 1237 1HA GLY 64 HA2 GLY 64 -9.109 1.056 -14.973 1238 2HA GLY 64 HA1 GLY 64 -8.864 0.511 -16.635 1239 H ASP 65 HN ASP 65 -9.295 -1.428 -13.710 1240 HA ASP 65 HA ASP 65 -11.439 -2.950 -15.096 1241 1HB ASP 65 HB2 ASP 65 -11.205 -4.497 -13.152 1242 2HB ASP 65 HB1 ASP 65 -9.678 -4.234 -13.994 1243 H GLY 66 HN GLY 66 -11.255 -0.293 -13.054 1244 1HA GLY 66 HA2 GLY 66 -13.011 0.851 -11.949 1245 2HA GLY 66 HA1 GLY 66 -14.121 -0.393 -12.535 1246 H GLU 67 HN GLU 67 -11.613 -1.997 -11.207 1247 HA GLU 67 HA GLU 67 -12.778 -2.055 -8.442 1248 1HB GLU 67 HB2 GLU 67 -11.789 -4.423 -10.073 1249 2HB GLU 67 HB1 GLU 67 -12.389 -4.488 -8.414 1250 1HG GLU 67 HG2 GLU 67 -14.579 -3.613 -9.194 1251 2HG GLU 67 HG1 GLU 67 -13.977 -3.628 -10.851 1252 H CYS 68 HN CYS 68 -11.116 -2.879 -6.845 1253 HA CYS 68 HA CYS 68 -8.322 -2.282 -7.785 1254 1HB CYS 68 HB2 CYS 68 -9.668 -1.390 -5.230 1255 2HB CYS 68 HB1 CYS 68 -7.944 -1.246 -5.550 1256 HG CYS 68 HG CYS 68 -10.165 0.421 -6.909 1257 H ASP 69 HN ASP 69 -7.511 -4.312 -7.847 1258 HA ASP 69 HA ASP 69 -7.999 -6.439 -6.058 1259 1HB ASP 69 HB2 ASP 69 -6.628 -6.402 -8.274 1260 2HB ASP 69 HB1 ASP 69 -5.265 -5.953 -7.250 1261 H PHE 70 HN PHE 70 -5.649 -7.192 -4.787 1262 HA PHE 70 HA PHE 70 -5.652 -5.347 -2.527 1263 1HB PHE 70 HB2 PHE 70 -3.641 -7.200 -1.995 1264 2HB PHE 70 HB1 PHE 70 -5.332 -7.380 -1.548 1265 HD1 PHE 70 HD1 PHE 70 -6.848 -8.790 -2.842 1266 HD2 PHE 70 HD2 PHE 70 -2.719 -8.378 -3.942 1267 HE1 PHE 70 HE1 PHE 70 -7.051 -10.756 -4.339 1268 HE2 PHE 70 HE2 PHE 70 -2.921 -10.341 -5.441 1269 HZ PHE 70 HZ PHE 70 -5.088 -11.531 -5.640 1270 H GLN 71 HN GLN 71 -3.418 -6.083 -5.147 1271 HA GLN 71 HA GLN 71 -1.144 -4.753 -4.020 1272 1HB GLN 71 HB2 GLN 71 -0.929 -6.393 -5.846 1273 2HB GLN 71 HB1 GLN 71 -1.827 -5.320 -6.920 1274 1HG GLN 71 HG2 GLN 71 -0.104 -3.682 -6.887 1275 2HG GLN 71 HG1 GLN 71 0.709 -4.464 -5.529 1276 1HE2 GLN 71 HE21 GLN 71 0.962 -4.100 -8.830 1277 2HE2 GLN 71 HE22 GLN 71 1.788 -5.536 -9.204 1278 H GLU 72 HN GLU 72 -3.772 -3.687 -6.127 1279 HA GLU 72 HA GLU 72 -2.645 -0.975 -6.340 1280 1HB GLU 72 HB2 GLU 72 -3.683 -2.001 -8.290 1281 2HB GLU 72 HB1 GLU 72 -5.166 -2.288 -7.387 1282 1HG GLU 72 HG2 GLU 72 -5.102 0.373 -7.084 1283 2HG GLU 72 HG1 GLU 72 -4.094 0.287 -8.524 1284 H PHE 73 HN PHE 73 -5.372 -2.637 -4.776 1285 HA PHE 73 HA PHE 73 -6.721 -0.386 -3.794 1286 1HB PHE 73 HB2 PHE 73 -7.721 -2.541 -3.468 1287 2HB PHE 73 HB1 PHE 73 -6.309 -3.124 -2.598 1288 HD1 PHE 73 HD1 PHE 73 -7.751 0.254 -1.940 1289 HD2 PHE 73 HD2 PHE 73 -7.541 -3.855 -0.682 1290 HE1 PHE 73 HE1 PHE 73 -8.800 0.854 0.212 1291 HE2 PHE 73 HE2 PHE 73 -8.592 -3.236 1.469 1292 HZ PHE 73 HZ PHE 73 -9.224 -0.896 1.911 1293 H MET 74 HN MET 74 -3.911 -2.062 -2.420 1294 HA MET 74 HA MET 74 -3.761 -0.373 -0.101 1295 1HB MET 74 HB2 MET 74 -2.194 -2.475 -1.336 1296 2HB MET 74 HB1 MET 74 -1.108 -1.161 -0.908 1297 1HG MET 74 HG2 MET 74 -3.110 -2.211 1.097 1298 2HG MET 74 HG1 MET 74 -1.566 -3.021 0.853 1299 1HE MET 74 HE1 MET 74 0.358 -1.398 3.480 1300 2HE MET 74 HE2 MET 74 0.746 -2.130 1.922 1301 3HE MET 74 HE3 MET 74 -0.525 -2.827 2.923 1302 H ALA 75 HN ALA 75 -2.416 -0.235 -3.352 1303 HA ALA 75 HA ALA 75 -0.827 2.080 -3.106 1304 1HB ALA 75 HB1 ALA 75 -2.640 1.745 -5.493 1305 2HB ALA 75 HB2 ALA 75 -1.322 0.613 -5.206 1306 3HB ALA 75 HB3 ALA 75 -0.977 2.326 -5.445 1307 H PHE 76 HN PHE 76 -4.300 1.830 -2.972 1308 HA PHE 76 HA PHE 76 -4.762 4.682 -3.401 1309 1HB PHE 76 HB2 PHE 76 -6.698 3.343 -3.762 1310 2HB PHE 76 HB1 PHE 76 -6.496 2.493 -2.237 1311 HD1 PHE 76 HD1 PHE 76 -8.149 3.046 -0.674 1312 HD2 PHE 76 HD2 PHE 76 -6.600 6.111 -3.259 1313 HE1 PHE 76 HE1 PHE 76 -9.560 4.731 0.473 1314 HE2 PHE 76 HE2 PHE 76 -8.014 7.791 -2.112 1315 HZ PHE 76 HZ PHE 76 -9.486 7.103 -0.239 1316 H VAL 77 HN VAL 77 -4.568 2.628 -0.482 1317 HA VAL 77 HA VAL 77 -4.894 4.691 1.437 1318 HB VAL 77 HB VAL 77 -3.241 2.149 1.483 1319 1HG1 VAL 77 HG11 VAL 77 -3.738 4.215 3.628 1320 2HG1 VAL 77 HG12 VAL 77 -2.203 3.518 3.122 1321 3HG1 VAL 77 HG13 VAL 77 -3.357 2.541 4.028 1322 1HG2 VAL 77 HG21 VAL 77 -5.077 1.235 2.701 1323 2HG2 VAL 77 HG22 VAL 77 -5.792 2.099 1.341 1324 3HG2 VAL 77 HG23 VAL 77 -5.797 2.826 2.949 1325 H SER 78 HN SER 78 -2.137 3.657 -0.444 1326 HA SER 78 HA SER 78 -0.121 5.219 0.841 1327 1HB SER 78 HB2 SER 78 0.109 3.297 -0.844 1328 2HB SER 78 HB1 SER 78 -0.188 4.498 -2.085 1329 HG SER 78 HG SER 78 1.980 4.211 -0.335 1330 H MET 79 HN MET 79 -2.460 5.844 -1.682 1331 HA MET 79 HA MET 79 -1.380 8.407 -2.466 1332 1HB MET 79 HB2 MET 79 -2.872 6.968 -3.907 1333 2HB MET 79 HB1 MET 79 -4.201 7.360 -2.818 1334 1HG MET 79 HG2 MET 79 -3.407 9.870 -3.336 1335 2HG MET 79 HG1 MET 79 -2.802 9.108 -4.805 1336 1HE MET 79 HE1 MET 79 -4.388 8.949 -6.927 1337 2HE MET 79 HE2 MET 79 -4.101 10.517 -6.175 1338 3HE MET 79 HE3 MET 79 -5.717 10.102 -6.741 1339 H VAL 80 HN VAL 80 -3.557 7.257 -0.030 1340 HA VAL 80 HA VAL 80 -4.487 9.962 0.660 1341 HB VAL 80 HB VAL 80 -4.951 7.244 1.945 1342 1HG1 VAL 80 HG11 VAL 80 -5.870 10.024 2.698 1343 2HG1 VAL 80 HG12 VAL 80 -5.090 8.818 3.718 1344 3HG1 VAL 80 HG13 VAL 80 -6.757 8.583 3.197 1345 1HG2 VAL 80 HG21 VAL 80 -6.578 9.038 0.134 1346 2HG2 VAL 80 HG22 VAL 80 -7.352 7.834 1.167 1347 3HG2 VAL 80 HG23 VAL 80 -6.195 7.329 -0.063 1348 H THR 81 HN THR 81 -2.284 7.409 1.684 1349 HA THR 81 HA THR 81 -1.487 8.690 4.141 1350 HB THR 81 HB THR 81 0.201 6.885 2.387 1351 HG1 THR 81 HG1 THR 81 -0.710 5.245 3.830 1352 1HG2 THR 81 HG21 THR 81 1.499 7.836 4.143 1353 2HG2 THR 81 HG22 THR 81 1.083 6.208 4.671 1354 3HG2 THR 81 HG23 THR 81 0.210 7.595 5.320 1355 H THR 82 HN THR 82 -0.403 8.837 0.724 1356 HA THR 82 HA THR 82 1.882 10.430 1.212 1357 HB THR 82 HB THR 82 1.470 11.159 -1.204 1358 HG1 THR 82 HG1 THR 82 -0.898 10.121 -0.573 1359 1HG2 THR 82 HG21 THR 82 1.478 8.462 -1.790 1360 2HG2 THR 82 HG22 THR 82 2.015 8.455 -0.111 1361 3HG2 THR 82 HG23 THR 82 2.904 9.386 -1.318 1362 H ALA 83 HN ALA 83 -1.556 11.422 0.580 1363 HA ALA 83 HA ALA 83 -1.089 14.186 0.419 1364 1HB ALA 83 HB1 ALA 83 -3.306 13.047 0.100 1365 2HB ALA 83 HB2 ALA 83 -3.395 14.449 1.166 1366 3HB ALA 83 HB3 ALA 83 -3.395 12.822 1.847 1367 H CYS 84 HN CYS 84 -1.221 12.011 3.197 1368 HA CYS 84 HA CYS 84 -1.096 14.143 5.172 1369 1HB CYS 84 HB2 CYS 84 -0.289 11.224 5.395 1370 2HB CYS 84 HB1 CYS 84 -0.468 12.337 6.750 1371 HG CYS 84 HG CYS 84 -2.791 11.112 5.117 1372 H HIS 85 HN HIS 85 1.137 12.825 2.973 1373 HA HIS 85 HA HIS 85 3.505 13.660 4.585 1374 1HB HIS 85 HB2 HIS 85 3.736 11.497 3.522 1375 2HB HIS 85 HB1 HIS 85 3.243 12.154 1.966 1376 HD1 HIS 85 HD1 HIS 85 5.396 11.782 0.687 1377 HD2 HIS 85 HD2 HIS 85 5.990 13.890 4.233 1378 HE1 HIS 85 HE1 HIS 85 7.781 12.611 0.633 1379 H GLU 86 HN GLU 86 1.783 14.423 1.551 1380 HA GLU 86 HA GLU 86 3.714 16.466 0.778 1381 1HB GLU 86 HB2 GLU 86 0.841 16.339 -0.159 1382 2HB GLU 86 HB1 GLU 86 2.246 16.966 -1.022 1383 1HG GLU 86 HG2 GLU 86 3.179 14.572 -0.894 1384 2HG GLU 86 HG1 GLU 86 1.547 14.096 -0.431 1385 H PHE 87 HN PHE 87 0.504 16.463 2.272 1386 HA PHE 87 HA PHE 87 0.044 19.211 2.513 1387 1HB PHE 87 HB2 PHE 87 -1.432 17.255 3.298 1388 2HB PHE 87 HB1 PHE 87 -0.481 17.284 4.784 1389 HD1 PHE 87 HD1 PHE 87 -2.903 19.120 2.702 1390 HD2 PHE 87 HD2 PHE 87 -0.609 19.169 6.334 1391 HE1 PHE 87 HE1 PHE 87 -4.276 21.006 3.543 1392 HE2 PHE 87 HE2 PHE 87 -1.982 21.056 7.175 1393 HZ PHE 87 HZ PHE 87 -3.816 21.974 5.781 1394 H PHE 88 HN PHE 88 1.827 17.148 4.834 1395 HA PHE 88 HA PHE 88 2.618 19.309 6.540 1396 1HB PHE 88 HB2 PHE 88 2.698 16.975 7.287 1397 2HB PHE 88 HB1 PHE 88 3.917 16.607 6.067 1398 HD1 PHE 88 HD1 PHE 88 6.219 17.056 6.456 1399 HD2 PHE 88 HD2 PHE 88 3.244 18.663 9.102 1400 HE1 PHE 88 HE1 PHE 88 8.002 17.770 8.026 1401 HE2 PHE 88 HE2 PHE 88 5.024 19.381 10.671 1402 HZ PHE 88 HZ PHE 88 7.404 18.934 10.133 1403 H GLU 89 HN GLU 89 3.866 18.120 3.507 1404 HA GLU 89 HA GLU 89 6.355 19.740 3.795 1405 1HB GLU 89 HB2 GLU 89 5.432 17.718 1.738 1406 2HB GLU 89 HB1 GLU 89 6.908 18.667 1.563 1407 1HG GLU 89 HG2 GLU 89 7.713 17.768 3.738 1408 2HG GLU 89 HG1 GLU 89 6.265 16.765 3.835 1409 H HIS 90 HN HIS 90 3.206 20.133 2.709 1410 HA HIS 90 HA HIS 90 3.580 21.562 0.260 1411 1HB HIS 90 HB2 HIS 90 1.378 20.746 1.078 1412 2HB HIS 90 HB1 HIS 90 1.425 21.954 2.362 1413 HD1 HIS 90 HD1 HIS 90 2.802 22.987 -0.925 1414 HD2 HIS 90 HD2 HIS 90 -0.852 23.231 1.072 1415 HE1 HIS 90 HE1 HIS 90 1.398 24.670 -2.199 1416 HE2 HIS 90 HE2 HIS 90 -0.827 24.826 -0.990 1417 H GLU 91 HN GLU 91 5.181 23.137 0.321 1418 HA GLU 91 HA GLU 91 5.445 24.993 2.543 1419 1HB GLU 91 HB2 GLU 91 6.596 25.240 -0.250 1420 2HB GLU 91 HB1 GLU 91 7.171 26.049 1.207 1421 1HG GLU 91 HG2 GLU 91 7.755 23.879 2.204 1422 2HG GLU 91 HG1 GLU 91 7.146 23.047 0.774 Start of MODEL 9 1 1H MET 0 HT1 MET 0 -7.293 7.905 11.893 2 2H MET 0 HT2 MET 0 -8.797 8.474 12.438 3 3H MET 0 HT3 MET 0 -8.614 6.848 11.986 4 HA MET 0 HA MET 0 -6.708 7.437 13.960 5 1HB MET 0 HB2 MET 0 -8.498 9.254 14.410 6 2HB MET 0 HB1 MET 0 -9.536 7.920 14.907 7 1HG MET 0 HG2 MET 0 -8.531 8.537 16.934 8 2HG MET 0 HG1 MET 0 -7.484 7.226 16.397 9 1HE MET 0 HE1 MET 0 -8.365 10.757 16.310 10 2HE MET 0 HE2 MET 0 -7.239 11.340 15.090 11 3HE MET 0 HE3 MET 0 -6.901 11.620 16.796 12 H SER 1 HN SER 1 -7.706 5.294 12.267 13 HA SER 1 HA SER 1 -8.572 3.357 14.388 14 1HB SER 1 HB2 SER 1 -9.871 2.178 12.640 15 2HB SER 1 HB1 SER 1 -10.481 3.806 12.924 16 HG SER 1 HG SER 1 -9.279 2.710 10.707 17 H GLU 2 HN GLU 2 -8.443 1.083 12.840 18 HA GLU 2 HA GLU 2 -5.742 0.325 12.972 19 1HB GLU 2 HB2 GLU 2 -7.976 -0.724 11.219 20 2HB GLU 2 HB1 GLU 2 -6.396 -1.501 11.334 21 1HG GLU 2 HG2 GLU 2 -6.702 -1.662 13.808 22 2HG GLU 2 HG1 GLU 2 -8.328 -1.005 13.617 23 H LEU 3 HN LEU 3 -7.421 2.108 10.469 24 HA LEU 3 HA LEU 3 -5.288 1.731 8.509 25 1HB LEU 3 HB2 LEU 3 -7.917 3.100 8.616 26 2HB LEU 3 HB1 LEU 3 -6.727 3.924 7.617 27 HG LEU 3 HG LEU 3 -8.239 2.175 6.481 28 1HD1 LEU 3 HD11 LEU 3 -6.286 1.309 5.111 29 2HD1 LEU 3 HD12 LEU 3 -5.226 2.131 6.252 30 3HD1 LEU 3 HD13 LEU 3 -6.373 3.060 5.291 31 1HD2 LEU 3 HD21 LEU 3 -7.521 0.497 8.477 32 2HD2 LEU 3 HD22 LEU 3 -6.284 0.066 7.296 33 3HD2 LEU 3 HD23 LEU 3 -7.986 -0.066 6.877 34 H GLU 4 HN GLU 4 -6.025 4.009 11.063 35 HA GLU 4 HA GLU 4 -4.180 6.046 10.106 36 1HB GLU 4 HB2 GLU 4 -5.938 6.765 11.582 37 2HB GLU 4 HB1 GLU 4 -5.498 5.565 12.793 38 1HG GLU 4 HG2 GLU 4 -3.402 7.556 11.947 39 2HG GLU 4 HG1 GLU 4 -4.688 8.108 13.016 40 H LYS 5 HN LYS 5 -3.980 3.176 12.098 41 HA LYS 5 HA LYS 5 -1.407 3.768 13.269 42 1HB LYS 5 HB2 LYS 5 -3.093 1.291 12.899 43 2HB LYS 5 HB1 LYS 5 -1.427 1.131 13.456 44 1HG LYS 5 HG2 LYS 5 -1.830 2.322 15.434 45 2HG LYS 5 HG1 LYS 5 -3.273 3.103 14.796 46 1HD LYS 5 HD2 LYS 5 -3.464 0.133 14.901 47 2HD LYS 5 HD1 LYS 5 -3.292 0.892 16.479 48 1HE LYS 5 HE2 LYS 5 -5.301 1.999 14.528 49 2HE LYS 5 HE1 LYS 5 -5.693 0.560 15.465 50 1HZ LYS 5 HZ1 LYS 5 -5.143 1.789 17.486 51 2HZ LYS 5 HZ2 LYS 5 -6.396 2.543 16.622 52 3HZ LYS 5 HZ3 LYS 5 -4.820 3.177 16.565 53 H ALA 6 HN ALA 6 -2.453 1.865 10.444 54 HA ALA 6 HA ALA 6 0.141 1.054 9.597 55 1HB ALA 6 HB1 ALA 6 -2.396 1.538 8.018 56 2HB ALA 6 HB2 ALA 6 -1.849 0.001 8.679 57 3HB ALA 6 HB3 ALA 6 -0.961 0.759 7.358 58 H MET 7 HN MET 7 -1.866 3.733 8.374 59 HA MET 7 HA MET 7 -0.006 4.794 6.567 60 1HB MET 7 HB2 MET 7 -2.067 6.205 8.293 61 2HB MET 7 HB1 MET 7 -1.161 7.020 7.022 62 1HG MET 7 HG2 MET 7 -2.032 4.983 5.554 63 2HG MET 7 HG1 MET 7 -3.286 4.922 6.778 64 1HE MET 7 HE1 MET 7 -5.345 5.647 5.990 65 2HE MET 7 HE2 MET 7 -5.758 7.321 5.625 66 3HE MET 7 HE3 MET 7 -5.086 6.912 7.201 67 H VAL 8 HN VAL 8 -0.201 5.308 10.072 68 HA VAL 8 HA VAL 8 1.928 7.307 10.034 69 HB VAL 8 HB VAL 8 0.481 5.765 12.194 70 1HG1 VAL 8 HG11 VAL 8 1.889 7.245 13.806 71 2HG1 VAL 8 HG12 VAL 8 3.032 7.358 12.468 72 3HG1 VAL 8 HG13 VAL 8 2.636 5.784 13.160 73 1HG2 VAL 8 HG21 VAL 8 -0.150 8.045 12.905 74 2HG2 VAL 8 HG22 VAL 8 -0.579 7.768 11.217 75 3HG2 VAL 8 HG23 VAL 8 0.850 8.723 11.619 76 H ALA 9 HN ALA 9 1.703 3.867 10.764 77 HA ALA 9 HA ALA 9 4.387 3.484 11.591 78 1HB ALA 9 HB1 ALA 9 4.031 1.123 10.916 79 2HB ALA 9 HB2 ALA 9 2.522 1.591 10.140 80 3HB ALA 9 HB3 ALA 9 2.707 1.751 11.887 81 H LEU 10 HN LEU 10 2.978 3.609 8.312 82 HA LEU 10 HA LEU 10 5.522 2.798 7.105 83 1HB LEU 10 HB2 LEU 10 2.804 3.549 6.115 84 2HB LEU 10 HB1 LEU 10 4.140 3.781 4.990 85 HG LEU 10 HG LEU 10 4.829 1.386 5.448 86 1HD1 LEU 10 HD11 LEU 10 2.954 -0.048 6.384 87 2HD1 LEU 10 HD12 LEU 10 2.186 1.443 6.928 88 3HD1 LEU 10 HD13 LEU 10 3.765 0.981 7.564 89 1HD2 LEU 10 HD21 LEU 10 3.161 0.457 3.960 90 2HD2 LEU 10 HD22 LEU 10 3.470 2.126 3.482 91 3HD2 LEU 10 HD23 LEU 10 2.016 1.726 4.392 92 H ILE 11 HN ILE 11 3.739 5.906 7.256 93 HA ILE 11 HA ILE 11 5.432 7.513 5.765 94 HB ILE 11 HB ILE 11 3.997 8.117 8.364 95 1HG1 ILE 11 HG12 ILE 11 3.437 9.040 5.535 96 2HG1 ILE 11 HG11 ILE 11 2.744 7.568 6.215 97 1HG2 ILE 11 HG21 ILE 11 5.737 9.751 8.309 98 2HG2 ILE 11 HG22 ILE 11 4.328 10.551 7.610 99 3HG2 ILE 11 HG23 ILE 11 5.608 9.939 6.560 100 1HD1 ILE 11 HD11 ILE 11 2.481 10.194 7.676 101 2HD1 ILE 11 HD12 ILE 11 1.480 8.748 7.810 102 3HD1 ILE 11 HD13 ILE 11 1.363 9.772 6.380 103 H ASP 12 HN ASP 12 6.055 6.093 8.912 104 HA ASP 12 HA ASP 12 8.427 7.718 9.421 105 1HB ASP 12 HB2 ASP 12 7.144 6.739 11.286 106 2HB ASP 12 HB1 ASP 12 7.508 5.119 10.689 107 H VAL 13 HN VAL 13 7.893 4.306 8.521 108 HA VAL 13 HA VAL 13 10.724 3.867 7.988 109 HB VAL 13 HB VAL 13 8.322 2.204 7.156 110 1HG1 VAL 13 HG11 VAL 13 10.202 1.409 5.966 111 2HG1 VAL 13 HG12 VAL 13 10.110 0.355 7.381 112 3HG1 VAL 13 HG13 VAL 13 11.287 1.672 7.332 113 1HG2 VAL 13 HG21 VAL 13 8.170 2.407 9.510 114 2HG2 VAL 13 HG22 VAL 13 9.921 2.343 9.716 115 3HG2 VAL 13 HG23 VAL 13 9.032 0.892 9.261 116 H PHE 14 HN PHE 14 7.952 4.902 6.227 117 HA PHE 14 HA PHE 14 9.089 4.402 3.586 118 1HB PHE 14 HB2 PHE 14 6.727 4.551 3.567 119 2HB PHE 14 HB1 PHE 14 6.731 6.035 4.513 120 HD1 PHE 14 HD1 PHE 14 8.814 5.197 1.498 121 HD2 PHE 14 HD2 PHE 14 5.640 7.597 3.126 122 HE1 PHE 14 HE1 PHE 14 8.794 6.566 -0.559 123 HE2 PHE 14 HE2 PHE 14 5.622 8.959 1.056 124 HZ PHE 14 HZ PHE 14 7.213 8.450 -0.778 125 H HIS 15 HN HIS 15 8.884 7.307 5.653 126 HA HIS 15 HA HIS 15 10.264 8.945 3.685 127 1HB HIS 15 HB2 HIS 15 8.626 9.654 5.616 128 2HB HIS 15 HB1 HIS 15 10.083 9.676 6.605 129 HD1 HIS 15 HD1 HIS 15 8.802 12.343 6.229 130 HD2 HIS 15 HD2 HIS 15 11.543 10.856 3.459 131 HE1 HIS 15 HE1 HIS 15 9.688 14.340 4.954 132 H GLN 16 HN GLN 16 11.267 7.008 6.454 133 HA GLN 16 HA GLN 16 13.875 8.178 6.777 134 1HB GLN 16 HB2 GLN 16 12.713 5.475 7.466 135 2HB GLN 16 HB1 GLN 16 14.385 5.897 7.841 136 1HG GLN 16 HG2 GLN 16 12.093 7.682 8.674 137 2HG GLN 16 HG1 GLN 16 12.603 6.321 9.672 138 1HE2 GLN 16 HE21 GLN 16 13.052 8.438 11.100 139 2HE2 GLN 16 HE22 GLN 16 14.632 9.047 10.992 140 H TYR 17 HN TYR 17 12.628 5.649 4.676 141 HA TYR 17 HA TYR 17 15.356 5.056 3.649 142 1HB TYR 17 HB2 TYR 17 12.618 3.861 3.203 143 2HB TYR 17 HB1 TYR 17 13.968 3.465 2.142 144 HD1 TYR 17 HD1 TYR 17 15.478 1.758 2.764 145 HD2 TYR 17 HD2 TYR 17 13.048 3.632 5.768 146 HE1 TYR 17 HE1 TYR 17 16.313 0.140 4.447 147 HE2 TYR 17 HE2 TYR 17 13.882 2.016 7.450 148 HH TYR 17 HH TYR 17 15.607 0.505 7.852 149 H SER 18 HN SER 18 12.201 6.030 2.257 150 HA SER 18 HA SER 18 13.177 6.752 -0.288 151 1HB SER 18 HB2 SER 18 10.742 6.736 0.680 152 2HB SER 18 HB1 SER 18 11.074 8.411 1.104 153 HG SER 18 HG SER 18 10.342 8.577 -0.917 154 H GLY 19 HN GLY 19 13.618 8.243 2.804 155 1HA GLY 19 HA2 GLY 19 14.638 10.770 1.595 156 2HA GLY 19 HA1 GLY 19 14.295 10.515 3.306 157 H ARG 20 HN ARG 20 15.857 7.753 2.382 158 HA ARG 20 HA ARG 20 18.265 8.357 3.788 159 1HB ARG 20 HB2 ARG 20 17.437 6.058 3.435 160 2HB ARG 20 HB1 ARG 20 17.708 6.219 1.704 161 1HG ARG 20 HG2 ARG 20 20.167 6.630 2.239 162 2HG ARG 20 HG1 ARG 20 19.794 6.171 3.900 163 1HD ARG 20 HD2 ARG 20 18.823 4.019 2.972 164 2HD ARG 20 HD1 ARG 20 19.506 4.475 1.409 165 HE ARG 20 HE ARG 20 21.643 3.910 2.238 166 1HH1 ARG 20 HH21 ARG 20 19.328 4.304 4.761 167 2HH1 ARG 20 HH22 ARG 20 20.374 3.689 5.997 168 1HH2 ARG 20 HH11 ARG 20 23.020 3.105 3.834 169 2HH2 ARG 20 HH12 ARG 20 22.464 3.007 5.471 170 H GLU 21 HN GLU 21 17.504 8.295 0.321 171 HA GLU 21 HA GLU 21 19.533 10.303 -0.226 172 1HB GLU 21 HB2 GLU 21 20.835 8.847 -1.838 173 2HB GLU 21 HB1 GLU 21 21.103 8.508 -0.131 174 1HG GLU 21 HG2 GLU 21 19.087 6.755 -0.583 175 2HG GLU 21 HG1 GLU 21 19.738 6.849 -2.218 176 H GLY 22 HN GLY 22 19.742 10.549 -2.745 177 1HA GLY 22 HA2 GLY 22 18.678 10.453 -4.902 178 2HA GLY 22 HA1 GLY 22 17.269 9.701 -4.155 179 H ASP 23 HN ASP 23 16.054 11.373 -5.380 180 HA ASP 23 HA ASP 23 16.289 14.140 -5.092 181 1HB ASP 23 HB2 ASP 23 13.721 12.526 -5.157 182 2HB ASP 23 HB1 ASP 23 13.858 14.249 -5.512 183 H LYS 24 HN LYS 24 13.631 12.588 -3.323 184 HA LYS 24 HA LYS 24 14.609 13.284 -0.705 185 1HB LYS 24 HB2 LYS 24 14.231 15.573 -1.464 186 2HB LYS 24 HB1 LYS 24 12.609 15.160 -2.010 187 1HG LYS 24 HG2 LYS 24 12.644 16.356 0.187 188 2HG LYS 24 HG1 LYS 24 11.878 14.777 0.279 189 1HD LYS 24 HD2 LYS 24 13.749 13.806 1.373 190 2HD LYS 24 HD1 LYS 24 14.814 15.132 0.902 191 1HE LYS 24 HE2 LYS 24 13.723 16.648 2.421 192 2HE LYS 24 HE1 LYS 24 12.428 15.492 2.733 193 1HZ LYS 24 HZ1 LYS 24 13.652 14.815 4.440 194 2HZ LYS 24 HZ2 LYS 24 15.020 15.678 3.919 195 3HZ LYS 24 HZ3 LYS 24 14.712 14.120 3.314 196 H HIS 25 HN HIS 25 12.355 11.910 -2.842 197 HA HIS 25 HA HIS 25 11.094 10.480 -0.630 198 1HB HIS 25 HB2 HIS 25 9.915 12.882 -1.286 199 2HB HIS 25 HB1 HIS 25 8.994 11.781 -2.298 200 HD2 HIS 25 HD2 HIS 25 6.846 10.768 -0.899 201 HE1 HIS 25 HE1 HIS 25 8.470 11.013 2.988 202 HE2 HIS 25 HE2 HIS 25 6.419 10.391 1.645 203 H LYS 26 HN LYS 26 12.569 9.315 -2.527 204 HA LYS 26 HA LYS 26 10.545 7.817 -4.129 205 1HB LYS 26 HB2 LYS 26 11.911 9.567 -5.484 206 2HB LYS 26 HB1 LYS 26 13.282 8.495 -5.225 207 1HG LYS 26 HG2 LYS 26 12.473 7.662 -7.246 208 2HG LYS 26 HG1 LYS 26 11.618 6.629 -6.104 209 1HD LYS 26 HD2 LYS 26 9.877 7.325 -7.504 210 2HD LYS 26 HD1 LYS 26 9.772 8.508 -6.203 211 1HE LYS 26 HE2 LYS 26 9.726 9.896 -8.077 212 2HE LYS 26 HE1 LYS 26 11.453 9.880 -7.719 213 1HZ LYS 26 HZ1 LYS 26 10.256 9.133 -10.073 214 2HZ LYS 26 HZ2 LYS 26 10.709 7.668 -9.345 215 3HZ LYS 26 HZ3 LYS 26 11.872 8.871 -9.635 216 H LEU 27 HN LEU 27 11.091 5.595 -4.330 217 HA LEU 27 HA LEU 27 13.008 4.671 -2.290 218 1HB LEU 27 HB2 LEU 27 10.593 3.720 -2.950 219 2HB LEU 27 HB1 LEU 27 11.534 2.754 -4.078 220 HG LEU 27 HG LEU 27 12.334 2.870 -1.152 221 1HD1 LEU 27 HD11 LEU 27 10.018 2.260 -1.064 222 2HD1 LEU 27 HD12 LEU 27 10.978 0.798 -0.839 223 3HD1 LEU 27 HD13 LEU 27 10.212 1.120 -2.394 224 1HD2 LEU 27 HD21 LEU 27 12.510 0.608 -3.157 225 2HD2 LEU 27 HD22 LEU 27 13.386 0.777 -1.637 226 3HD2 LEU 27 HD23 LEU 27 13.775 1.822 -2.998 227 H LYS 28 HN LYS 28 15.040 4.083 -2.723 228 HA LYS 28 HA LYS 28 15.919 3.715 -5.563 229 1HB LYS 28 HB2 LYS 28 17.285 4.518 -3.000 230 2HB LYS 28 HB1 LYS 28 18.243 3.845 -4.309 231 1HG LYS 28 HG2 LYS 28 18.258 6.279 -4.456 232 2HG LYS 28 HG1 LYS 28 17.391 5.603 -5.832 233 1HD LYS 28 HD2 LYS 28 16.242 7.572 -4.853 234 2HD LYS 28 HD1 LYS 28 15.249 6.117 -4.781 235 1HE LYS 28 HE2 LYS 28 15.506 7.681 -2.656 236 2HE LYS 28 HE1 LYS 28 15.471 5.930 -2.470 237 1HZ LYS 28 HZ1 LYS 28 17.966 6.046 -2.678 238 2HZ LYS 28 HZ2 LYS 28 17.306 6.679 -1.248 239 3HZ LYS 28 HZ3 LYS 28 17.817 7.717 -2.487 240 H LYS 29 HN LYS 29 17.057 1.723 -6.106 241 HA LYS 29 HA LYS 29 16.295 -0.654 -4.855 242 1HB LYS 29 HB2 LYS 29 18.882 -0.020 -6.311 243 2HB LYS 29 HB1 LYS 29 18.401 -1.652 -5.847 244 1HG LYS 29 HG2 LYS 29 16.180 -1.117 -7.113 245 2HG LYS 29 HG1 LYS 29 17.098 0.198 -7.844 246 1HD LYS 29 HD2 LYS 29 17.869 -2.734 -7.899 247 2HD LYS 29 HD1 LYS 29 17.183 -1.827 -9.248 248 1HE LYS 29 HE2 LYS 29 19.157 -0.226 -8.996 249 2HE LYS 29 HE1 LYS 29 19.873 -1.431 -7.927 250 1HZ LYS 29 HZ1 LYS 29 19.056 -1.843 -10.750 251 2HZ LYS 29 HZ2 LYS 29 19.643 -3.062 -9.723 252 3HZ LYS 29 HZ3 LYS 29 20.646 -1.763 -10.166 253 H SER 30 HN SER 30 19.237 1.267 -4.173 254 HA SER 30 HA SER 30 20.412 -0.326 -2.183 255 1HB SER 30 HB2 SER 30 20.142 2.699 -2.197 256 2HB SER 30 HB1 SER 30 21.270 1.793 -1.194 257 HG SER 30 HG SER 30 21.158 1.574 -4.019 258 H GLU 31 HN GLU 31 17.372 1.107 -2.189 259 HA GLU 31 HA GLU 31 17.089 0.936 0.795 260 1HB GLU 31 HB2 GLU 31 15.215 2.198 -1.218 261 2HB GLU 31 HB1 GLU 31 15.001 2.182 0.523 262 1HG GLU 31 HG2 GLU 31 17.134 3.388 0.809 263 2HG GLU 31 HG1 GLU 31 17.340 3.425 -0.942 264 H LEU 32 HN LEU 32 15.772 -0.319 -2.242 265 HA LEU 32 HA LEU 32 13.750 -1.888 -0.943 266 1HB LEU 32 HB2 LEU 32 14.373 -1.297 -3.578 267 2HB LEU 32 HB1 LEU 32 14.812 -2.997 -3.480 268 HG LEU 32 HG LEU 32 12.129 -1.881 -2.599 269 1HD1 LEU 32 HD11 LEU 32 11.320 -3.068 -4.695 270 2HD1 LEU 32 HD12 LEU 32 13.009 -3.165 -5.193 271 3HD1 LEU 32 HD13 LEU 32 12.245 -1.592 -4.971 272 1HD2 LEU 32 HD21 LEU 32 13.017 -4.730 -3.149 273 2HD2 LEU 32 HD22 LEU 32 11.460 -4.215 -2.502 274 3HD2 LEU 32 HD23 LEU 32 12.922 -4.018 -1.537 275 H LYS 33 HN LYS 33 17.027 -2.690 -2.066 276 HA LYS 33 HA LYS 33 16.945 -5.389 -1.021 277 1HB LYS 33 HB2 LYS 33 18.961 -3.513 -2.147 278 2HB LYS 33 HB1 LYS 33 19.612 -4.781 -1.117 279 1HG LYS 33 HG2 LYS 33 18.892 -6.506 -2.540 280 2HG LYS 33 HG1 LYS 33 17.663 -5.498 -3.299 281 1HD LYS 33 HD2 LYS 33 20.652 -5.092 -3.614 282 2HD LYS 33 HD1 LYS 33 19.630 -5.916 -4.785 283 1HE LYS 33 HE2 LYS 33 18.233 -3.590 -4.522 284 2HE LYS 33 HE1 LYS 33 19.866 -3.004 -4.207 285 1HZ LYS 33 HZ1 LYS 33 18.699 -3.920 -6.659 286 2HZ LYS 33 HZ2 LYS 33 20.192 -4.660 -6.329 287 3HZ LYS 33 HZ3 LYS 33 20.078 -2.967 -6.406 288 H GLU 34 HN GLU 34 17.988 -2.251 0.201 289 HA GLU 34 HA GLU 34 19.048 -3.383 2.690 290 1HB GLU 34 HB2 GLU 34 19.893 -1.242 1.727 291 2HB GLU 34 HB1 GLU 34 18.344 -0.497 2.121 292 1HG GLU 34 HG2 GLU 34 18.673 -0.957 4.490 293 2HG GLU 34 HG1 GLU 34 20.164 -1.832 4.141 294 H LEU 35 HN LEU 35 15.992 -1.938 1.688 295 HA LEU 35 HA LEU 35 14.929 -1.754 4.377 296 1HB LEU 35 HB2 LEU 35 13.996 -0.403 2.524 297 2HB LEU 35 HB1 LEU 35 13.502 -1.878 1.694 298 HG LEU 35 HG LEU 35 12.132 -2.386 3.861 299 1HD1 LEU 35 HD11 LEU 35 12.605 0.594 4.149 300 2HD1 LEU 35 HD12 LEU 35 13.133 -0.654 5.278 301 3HD1 LEU 35 HD13 LEU 35 11.417 -0.340 5.055 302 1HD2 LEU 35 HD21 LEU 35 11.336 -0.046 2.106 303 2HD2 LEU 35 HD22 LEU 35 10.242 -1.091 3.012 304 3HD2 LEU 35 HD23 LEU 35 11.164 -1.745 1.659 305 H ILE 36 HN ILE 36 15.028 -4.218 1.870 306 HA ILE 36 HA ILE 36 13.136 -5.966 3.189 307 HB ILE 36 HB ILE 36 15.139 -6.379 0.964 308 1HG1 ILE 36 HG12 ILE 36 12.111 -6.527 1.011 309 2HG1 ILE 36 HG11 ILE 36 13.005 -5.065 0.607 310 1HG2 ILE 36 HG21 ILE 36 15.068 -8.530 1.976 311 2HG2 ILE 36 HG22 ILE 36 13.866 -8.614 0.688 312 3HG2 ILE 36 HG23 ILE 36 13.353 -8.383 2.359 313 1HD1 ILE 36 HD11 ILE 36 14.004 -6.118 -1.312 314 2HD1 ILE 36 HD12 ILE 36 12.274 -6.441 -1.386 315 3HD1 ILE 36 HD13 ILE 36 13.382 -7.697 -0.837 316 H ASN 37 HN ASN 37 16.652 -5.629 3.190 317 HA ASN 37 HA ASN 37 17.030 -7.988 4.888 318 1HB ASN 37 HB2 ASN 37 18.703 -7.125 3.164 319 2HB ASN 37 HB1 ASN 37 19.062 -5.827 4.306 320 1HD2 ASN 37 HD21 ASN 37 21.295 -7.006 4.231 321 2HD2 ASN 37 HD22 ASN 37 21.521 -8.274 5.336 322 H ASN 38 HN ASN 38 16.557 -4.565 5.367 323 HA ASN 38 HA ASN 38 17.508 -4.738 8.186 324 1HB ASN 38 HB2 ASN 38 16.484 -2.344 6.641 325 2HB ASN 38 HB1 ASN 38 17.274 -2.311 8.217 326 1HD2 ASN 38 HD21 ASN 38 19.048 -0.998 7.303 327 2HD2 ASN 38 HD22 ASN 38 20.231 -1.713 6.317 328 H GLU 39 HN GLU 39 14.486 -3.880 6.456 329 HA GLU 39 HA GLU 39 13.048 -3.919 9.084 330 1HB GLU 39 HB2 GLU 39 12.341 -2.895 6.329 331 2HB GLU 39 HB1 GLU 39 11.122 -3.078 7.590 332 1HG GLU 39 HG2 GLU 39 13.689 -1.541 8.034 333 2HG GLU 39 HG1 GLU 39 12.222 -0.774 7.426 334 H LEU 40 HN LEU 40 12.113 -4.977 5.799 335 HA LEU 40 HA LEU 40 10.457 -7.104 6.879 336 1HB LEU 40 HB2 LEU 40 11.378 -7.105 4.017 337 2HB LEU 40 HB1 LEU 40 9.814 -7.533 4.679 338 HG LEU 40 HG LEU 40 10.911 -4.708 4.549 339 1HD1 LEU 40 HD11 LEU 40 9.446 -4.355 2.703 340 2HD1 LEU 40 HD12 LEU 40 8.670 -5.923 2.926 341 3HD1 LEU 40 HD13 LEU 40 10.330 -5.837 2.341 342 1HD2 LEU 40 HD21 LEU 40 8.513 -4.147 5.060 343 2HD2 LEU 40 HD22 LEU 40 9.340 -4.965 6.385 344 3HD2 LEU 40 HD23 LEU 40 8.224 -5.862 5.351 345 H SER 41 HN SER 41 13.173 -7.311 7.850 346 HA SER 41 HA SER 41 14.432 -9.465 6.297 347 1HB SER 41 HB2 SER 41 15.527 -7.533 7.722 348 2HB SER 41 HB1 SER 41 15.296 -8.648 9.059 349 HG SER 41 HG SER 41 16.251 -10.140 7.211 350 H HIS 42 HN HIS 42 12.254 -9.144 8.999 351 HA HIS 42 HA HIS 42 12.777 -11.923 9.907 352 1HB HIS 42 HB2 HIS 42 10.850 -9.837 10.968 353 2HB HIS 42 HB1 HIS 42 11.232 -11.380 11.731 354 HD1 HIS 42 HD1 HIS 42 12.003 -8.054 12.269 355 HD2 HIS 42 HD2 HIS 42 14.442 -11.401 11.760 356 HE1 HIS 42 HE1 HIS 42 14.249 -7.467 13.286 357 HE2 HIS 42 HE2 HIS 42 15.739 -9.498 12.985 358 H PHE 43 HN PHE 43 10.615 -10.191 7.846 359 HA PHE 43 HA PHE 43 8.675 -12.488 7.861 360 1HB PHE 43 HB2 PHE 43 8.405 -9.550 7.234 361 2HB PHE 43 HB1 PHE 43 7.294 -10.697 6.488 362 HD1 PHE 43 HD1 PHE 43 8.847 -10.257 9.884 363 HD2 PHE 43 HD2 PHE 43 5.257 -10.903 7.617 364 HE1 PHE 43 HE1 PHE 43 7.535 -10.339 11.986 365 HE2 PHE 43 HE2 PHE 43 3.947 -10.985 9.719 366 HZ PHE 43 HZ PHE 43 5.084 -10.705 11.905 367 H LEU 44 HN LEU 44 10.483 -10.293 5.689 368 HA LEU 44 HA LEU 44 9.942 -12.157 3.433 369 1HB LEU 44 HB2 LEU 44 10.901 -9.324 3.627 370 2HB LEU 44 HB1 LEU 44 11.249 -10.244 2.176 371 HG LEU 44 HG LEU 44 9.140 -8.877 2.061 372 1HD1 LEU 44 HD11 LEU 44 8.256 -11.738 1.908 373 2HD1 LEU 44 HD12 LEU 44 9.612 -11.240 0.898 374 3HD1 LEU 44 HD13 LEU 44 8.058 -10.432 0.744 375 1HD2 LEU 44 HD21 LEU 44 7.314 -9.269 3.457 376 2HD2 LEU 44 HD22 LEU 44 8.638 -9.510 4.578 377 3HD2 LEU 44 HD23 LEU 44 7.831 -10.902 3.861 378 H GLU 45 HN GLU 45 11.524 -13.482 2.647 379 HA GLU 45 HA GLU 45 13.846 -14.098 4.100 380 1HB GLU 45 HB2 GLU 45 13.409 -14.383 1.109 381 2HB GLU 45 HB1 GLU 45 14.641 -15.230 2.047 382 1HG GLU 45 HG2 GLU 45 12.772 -16.176 3.470 383 2HG GLU 45 HG1 GLU 45 11.634 -15.500 2.301 384 H GLU 46 HN GLU 46 15.887 -13.218 4.196 385 HA GLU 46 HA GLU 46 16.347 -10.564 3.207 386 1HB GLU 46 HB2 GLU 46 18.275 -12.675 4.223 387 2HB GLU 46 HB1 GLU 46 18.738 -11.011 3.870 388 1HG GLU 46 HG2 GLU 46 18.294 -11.015 6.192 389 2HG GLU 46 HG1 GLU 46 16.839 -10.331 5.472 390 H ILE 47 HN ILE 47 16.327 -10.290 0.973 391 HA ILE 47 HA ILE 47 17.494 -12.282 -0.796 392 HB ILE 47 HB ILE 47 17.190 -10.524 -2.565 393 1HG1 ILE 47 HG12 ILE 47 15.965 -8.913 -0.307 394 2HG1 ILE 47 HG11 ILE 47 17.539 -8.573 -1.024 395 1HG2 ILE 47 HG21 ILE 47 14.769 -10.940 -0.792 396 2HG2 ILE 47 HG22 ILE 47 15.381 -12.120 -1.954 397 3HG2 ILE 47 HG23 ILE 47 14.757 -10.566 -2.517 398 1HD1 ILE 47 HD11 ILE 47 16.410 -8.421 -3.263 399 2HD1 ILE 47 HD12 ILE 47 15.920 -7.166 -2.130 400 3HD1 ILE 47 HD13 ILE 47 14.861 -8.542 -2.431 401 H LYS 48 HN LYS 48 19.520 -12.275 -1.705 402 HA LYS 48 HA LYS 48 21.430 -10.130 -0.817 403 1HB LYS 48 HB2 LYS 48 21.966 -13.075 -1.333 404 2HB LYS 48 HB1 LYS 48 23.179 -11.875 -0.879 405 1HG LYS 48 HG2 LYS 48 21.953 -11.441 1.229 406 2HG LYS 48 HG1 LYS 48 20.768 -12.669 0.784 407 1HD LYS 48 HD2 LYS 48 22.691 -14.318 0.626 408 2HD LYS 48 HD1 LYS 48 23.712 -13.077 1.355 409 1HE LYS 48 HE2 LYS 48 21.193 -14.239 2.581 410 2HE LYS 48 HE1 LYS 48 22.845 -14.599 3.084 411 1HZ LYS 48 HZ1 LYS 48 22.238 -12.944 4.540 412 2HZ LYS 48 HZ2 LYS 48 21.312 -12.104 3.388 413 3HZ LYS 48 HZ3 LYS 48 23.010 -12.047 3.325 414 H GLU 49 HN GLU 49 19.861 -11.667 -3.359 415 HA GLU 49 HA GLU 49 21.853 -10.665 -5.369 416 1HB GLU 49 HB2 GLU 49 19.815 -12.907 -5.592 417 2HB GLU 49 HB1 GLU 49 20.832 -12.336 -6.915 418 1HG GLU 49 HG2 GLU 49 21.895 -13.413 -4.286 419 2HG GLU 49 HG1 GLU 49 21.763 -14.359 -5.768 420 H GLN 50 HN GLN 50 21.158 -8.858 -6.331 421 HA GLN 50 HA GLN 50 18.586 -7.722 -6.025 422 1HB GLN 50 HB2 GLN 50 19.285 -6.099 -7.650 423 2HB GLN 50 HB1 GLN 50 20.730 -6.561 -6.757 424 1HG GLN 50 HG2 GLN 50 19.899 -7.495 -9.521 425 2HG GLN 50 HG1 GLN 50 21.316 -6.540 -9.090 426 1HE2 GLN 50 HE21 GLN 50 20.486 -9.618 -9.960 427 2HE2 GLN 50 HE22 GLN 50 21.705 -10.486 -9.157 428 H GLU 51 HN GLU 51 19.683 -10.193 -8.211 429 HA GLU 51 HA GLU 51 18.130 -9.973 -10.423 430 1HB GLU 51 HB2 GLU 51 19.607 -11.894 -10.031 431 2HB GLU 51 HB1 GLU 51 18.486 -12.506 -8.815 432 1HG GLU 51 HG2 GLU 51 16.765 -12.859 -10.462 433 2HG GLU 51 HG1 GLU 51 17.697 -12.010 -11.697 434 H VAL 52 HN VAL 52 16.869 -11.100 -7.292 435 HA VAL 52 HA VAL 52 14.209 -11.396 -8.463 436 HB VAL 52 HB VAL 52 13.514 -11.593 -6.008 437 1HG1 VAL 52 HG11 VAL 52 13.880 -13.585 -7.327 438 2HG1 VAL 52 HG12 VAL 52 14.646 -13.828 -5.758 439 3HG1 VAL 52 HG13 VAL 52 15.629 -13.426 -7.166 440 1HG2 VAL 52 HG21 VAL 52 15.466 -10.301 -5.123 441 2HG2 VAL 52 HG22 VAL 52 16.523 -11.626 -5.609 442 3HG2 VAL 52 HG23 VAL 52 15.298 -11.886 -4.371 443 H VAL 53 HN VAL 53 15.957 -9.000 -6.557 444 HA VAL 53 HA VAL 53 13.670 -7.304 -6.228 445 HB VAL 53 HB VAL 53 16.291 -7.290 -5.288 446 1HG1 VAL 53 HG11 VAL 53 17.362 -5.244 -5.953 447 2HG1 VAL 53 HG12 VAL 53 15.969 -4.754 -6.916 448 3HG1 VAL 53 HG13 VAL 53 16.968 -6.108 -7.438 449 1HG2 VAL 53 HG21 VAL 53 14.102 -5.216 -5.173 450 2HG2 VAL 53 HG22 VAL 53 15.592 -5.045 -4.248 451 3HG2 VAL 53 HG23 VAL 53 14.528 -6.420 -3.960 452 H ASP 54 HN ASP 54 15.783 -8.040 -8.822 453 HA ASP 54 HA ASP 54 15.111 -5.669 -10.413 454 1HB ASP 54 HB2 ASP 54 16.438 -8.319 -11.053 455 2HB ASP 54 HB1 ASP 54 16.079 -7.122 -12.298 456 H LYS 55 HN LYS 55 13.970 -8.922 -9.867 457 HA LYS 55 HA LYS 55 12.037 -8.859 -12.060 458 1HB LYS 55 HB2 LYS 55 13.048 -10.980 -11.149 459 2HB LYS 55 HB1 LYS 55 12.133 -10.726 -9.665 460 1HG LYS 55 HG2 LYS 55 10.551 -10.625 -12.209 461 2HG LYS 55 HG1 LYS 55 11.191 -12.202 -11.767 462 1HD LYS 55 HD2 LYS 55 9.762 -10.563 -9.678 463 2HD LYS 55 HD1 LYS 55 8.823 -11.451 -10.873 464 1HE LYS 55 HE2 LYS 55 9.939 -13.538 -10.226 465 2HE LYS 55 HE1 LYS 55 10.933 -12.661 -9.062 466 1HZ LYS 55 HZ1 LYS 55 9.226 -12.437 -7.630 467 2HZ LYS 55 HZ2 LYS 55 8.642 -13.822 -8.424 468 3HZ LYS 55 HZ3 LYS 55 8.058 -12.285 -8.851 469 H VAL 56 HN VAL 56 11.763 -8.766 -8.452 470 HA VAL 56 HA VAL 56 9.009 -8.333 -8.299 471 HB VAL 56 HB VAL 56 10.860 -8.541 -6.419 472 1HG1 VAL 56 HG11 VAL 56 10.439 -5.549 -6.335 473 2HG1 VAL 56 HG12 VAL 56 11.844 -6.269 -7.111 474 3HG1 VAL 56 HG13 VAL 56 11.568 -6.523 -5.393 475 1HG2 VAL 56 HG21 VAL 56 9.269 -7.638 -4.771 476 2HG2 VAL 56 HG22 VAL 56 8.420 -8.546 -6.023 477 3HG2 VAL 56 HG23 VAL 56 8.414 -6.782 -6.055 478 H MET 57 HN MET 57 11.592 -5.968 -8.878 479 HA MET 57 HA MET 57 9.927 -3.647 -8.932 480 1HB MET 57 HB2 MET 57 12.518 -4.300 -10.366 481 2HB MET 57 HB1 MET 57 11.757 -2.711 -10.430 482 1HG MET 57 HG2 MET 57 12.303 -4.014 -7.767 483 2HG MET 57 HG1 MET 57 13.587 -3.158 -8.619 484 1HE MET 57 HE1 MET 57 14.062 -0.872 -8.370 485 2HE MET 57 HE2 MET 57 13.893 -1.363 -6.683 486 3HE MET 57 HE3 MET 57 13.222 0.179 -7.223 487 H GLU 58 HN GLU 58 10.562 -6.174 -11.283 488 HA GLU 58 HA GLU 58 9.431 -4.826 -13.563 489 1HB GLU 58 HB2 GLU 58 10.875 -6.991 -13.489 490 2HB GLU 58 HB1 GLU 58 9.354 -7.821 -13.155 491 1HG GLU 58 HG2 GLU 58 8.402 -6.718 -15.224 492 2HG GLU 58 HG1 GLU 58 10.030 -6.145 -15.589 493 H THR 59 HN THR 59 8.104 -6.562 -10.853 494 HA THR 59 HA THR 59 5.413 -6.683 -12.070 495 HB THR 59 HB THR 59 6.315 -7.484 -9.290 496 HG1 THR 59 HG1 THR 59 5.726 -9.417 -11.132 497 1HG2 THR 59 HG21 THR 59 3.853 -8.144 -10.924 498 2HG2 THR 59 HG22 THR 59 3.901 -7.111 -9.495 499 3HG2 THR 59 HG23 THR 59 4.239 -8.836 -9.350 500 H LEU 60 HN LEU 60 7.201 -4.855 -9.627 501 HA LEU 60 HA LEU 60 4.711 -3.382 -8.901 502 1HB LEU 60 HB2 LEU 60 7.441 -3.647 -7.678 503 2HB LEU 60 HB1 LEU 60 6.456 -2.243 -7.270 504 HG LEU 60 HG LEU 60 6.170 -4.144 -5.687 505 1HD1 LEU 60 HD11 LEU 60 3.496 -3.976 -7.024 506 2HD1 LEU 60 HD12 LEU 60 4.243 -2.444 -6.577 507 3HD1 LEU 60 HD13 LEU 60 3.941 -3.666 -5.351 508 1HD2 LEU 60 HD21 LEU 60 4.760 -5.563 -7.955 509 2HD2 LEU 60 HD22 LEU 60 5.185 -6.208 -6.369 510 3HD2 LEU 60 HD23 LEU 60 6.449 -5.877 -7.553 511 H ASP 61 HN ASP 61 8.015 -2.601 -10.214 512 HA ASP 61 HA ASP 61 7.616 0.180 -10.435 513 1HB ASP 61 HB2 ASP 61 9.696 -1.255 -10.913 514 2HB ASP 61 HB1 ASP 61 9.010 -1.488 -12.520 515 H GLU 62 HN GLU 62 5.838 1.053 -11.267 516 HA GLU 62 HA GLU 62 4.506 -0.192 -13.594 517 1HB GLU 62 HB2 GLU 62 3.305 0.814 -11.507 518 2HB GLU 62 HB1 GLU 62 3.644 2.375 -12.253 519 1HG GLU 62 HG2 GLU 62 2.187 0.100 -13.637 520 2HG GLU 62 HG1 GLU 62 1.389 1.467 -12.857 521 H ASP 63 HN ASP 63 6.300 2.683 -12.692 522 HA ASP 63 HA ASP 63 6.040 3.833 -15.385 523 1HB ASP 63 HB2 ASP 63 8.035 4.716 -13.290 524 2HB ASP 63 HB1 ASP 63 7.231 5.684 -14.529 525 H GLY 64 HN GLY 64 7.758 1.326 -13.967 526 1HA GLY 64 HA2 GLY 64 9.685 0.150 -14.653 527 2HA GLY 64 HA1 GLY 64 9.401 0.863 -16.245 528 H ASP 65 HN ASP 65 10.081 2.457 -13.145 529 HA ASP 65 HA ASP 65 12.331 3.915 -14.503 530 1HB ASP 65 HB2 ASP 65 12.130 5.436 -12.482 531 2HB ASP 65 HB1 ASP 65 10.722 5.407 -13.545 532 H GLY 66 HN GLY 66 11.878 1.296 -12.453 533 1HA GLY 66 HA2 GLY 66 13.566 0.027 -11.353 534 2HA GLY 66 HA1 GLY 66 14.733 1.294 -11.751 535 H GLU 67 HN GLU 67 11.988 2.659 -10.494 536 HA GLU 67 HA GLU 67 12.971 2.593 -7.668 537 1HB GLU 67 HB2 GLU 67 11.954 5.069 -9.096 538 2HB GLU 67 HB1 GLU 67 12.640 4.978 -7.475 539 1HG GLU 67 HG2 GLU 67 14.782 4.138 -8.531 540 2HG GLU 67 HG1 GLU 67 14.076 4.526 -10.103 541 H CYS 68 HN CYS 68 11.229 2.909 -6.129 542 HA CYS 68 HA CYS 68 8.512 2.389 -7.307 543 1HB CYS 68 HB2 CYS 68 9.518 1.672 -4.547 544 2HB CYS 68 HB1 CYS 68 7.992 1.186 -5.280 545 HG CYS 68 HG CYS 68 9.963 0.155 -7.149 546 H ASP 69 HN ASP 69 7.688 4.491 -7.409 547 HA ASP 69 HA ASP 69 8.046 6.538 -5.509 548 1HB ASP 69 HB2 ASP 69 5.516 5.952 -7.082 549 2HB ASP 69 HB1 ASP 69 5.967 7.502 -6.373 550 H PHE 70 HN PHE 70 5.654 7.248 -4.347 551 HA PHE 70 HA PHE 70 5.487 5.364 -2.143 552 1HB PHE 70 HB2 PHE 70 3.511 7.051 -1.569 553 2HB PHE 70 HB1 PHE 70 5.185 7.542 -1.409 554 HD1 PHE 70 HD1 PHE 70 6.062 9.340 -2.670 555 HD2 PHE 70 HD2 PHE 70 2.312 7.578 -3.792 556 HE1 PHE 70 HE1 PHE 70 5.711 11.146 -4.335 557 HE2 PHE 70 HE2 PHE 70 1.960 9.381 -5.455 558 HZ PHE 70 HZ PHE 70 3.659 11.166 -5.725 559 H GLN 71 HN GLN 71 3.507 6.081 -4.941 560 HA GLN 71 HA GLN 71 1.129 4.819 -4.040 561 1HB GLN 71 HB2 GLN 71 1.245 6.432 -5.927 562 2HB GLN 71 HB1 GLN 71 2.077 5.207 -6.889 563 1HG GLN 71 HG2 GLN 71 0.189 3.749 -6.815 564 2HG GLN 71 HG1 GLN 71 -0.617 4.758 -5.607 565 1HE2 GLN 71 HE21 GLN 71 0.112 4.444 -9.041 566 2HE2 GLN 71 HE22 GLN 71 -0.838 5.755 -9.555 567 H GLU 72 HN GLU 72 3.842 3.540 -6.004 568 HA GLU 72 HA GLU 72 2.555 0.880 -5.948 569 1HB GLU 72 HB2 GLU 72 4.175 0.203 -7.538 570 2HB GLU 72 HB1 GLU 72 3.694 1.832 -8.003 571 1HG GLU 72 HG2 GLU 72 5.791 2.448 -6.386 572 2HG GLU 72 HG1 GLU 72 6.315 0.853 -6.930 573 H PHE 73 HN PHE 73 5.260 2.611 -4.465 574 HA PHE 73 HA PHE 73 6.624 0.400 -3.409 575 1HB PHE 73 HB2 PHE 73 7.589 2.582 -3.090 576 2HB PHE 73 HB1 PHE 73 6.164 3.139 -2.219 577 HD1 PHE 73 HD1 PHE 73 6.956 3.695 -0.080 578 HD2 PHE 73 HD2 PHE 73 8.077 -0.087 -1.803 579 HE1 PHE 73 HE1 PHE 73 8.016 3.022 2.058 580 HE2 PHE 73 HE2 PHE 73 9.125 -0.744 0.332 581 HZ PHE 73 HZ PHE 73 9.110 0.814 2.253 582 H MET 74 HN MET 74 3.710 2.023 -2.159 583 HA MET 74 HA MET 74 3.579 0.311 0.167 584 1HB MET 74 HB2 MET 74 2.188 2.534 -0.619 585 2HB MET 74 HB1 MET 74 1.007 1.292 -1.018 586 1HG MET 74 HG2 MET 74 1.611 0.414 1.428 587 2HG MET 74 HG1 MET 74 2.096 2.088 1.655 588 1HE MET 74 HE1 MET 74 -1.014 3.441 2.961 589 2HE MET 74 HE2 MET 74 0.741 3.384 2.889 590 3HE MET 74 HE3 MET 74 -0.148 2.079 3.673 591 H ALA 75 HN ALA 75 2.279 0.252 -3.100 592 HA ALA 75 HA ALA 75 0.740 -2.125 -2.939 593 1HB ALA 75 HB1 ALA 75 2.507 -1.518 -5.316 594 2HB ALA 75 HB2 ALA 75 1.054 -0.581 -4.968 595 3HB ALA 75 HB3 ALA 75 0.936 -2.302 -5.298 596 H PHE 76 HN PHE 76 4.178 -1.763 -2.725 597 HA PHE 76 HA PHE 76 4.767 -4.552 -3.373 598 1HB PHE 76 HB2 PHE 76 6.633 -3.089 -3.607 599 2HB PHE 76 HB1 PHE 76 6.375 -2.382 -2.023 600 HD1 PHE 76 HD1 PHE 76 8.145 -2.908 -0.595 601 HD2 PHE 76 HD2 PHE 76 6.621 -5.945 -3.229 602 HE1 PHE 76 HE1 PHE 76 9.709 -4.549 0.392 603 HE2 PHE 76 HE2 PHE 76 8.186 -7.588 -2.232 604 HZ PHE 76 HZ PHE 76 9.733 -6.888 -0.418 605 H VAL 77 HN VAL 77 4.596 -2.734 -0.288 606 HA VAL 77 HA VAL 77 4.862 -4.961 1.438 607 HB VAL 77 HB VAL 77 2.964 -2.634 1.875 608 1HG1 VAL 77 HG11 VAL 77 2.994 -4.661 3.441 609 2HG1 VAL 77 HG12 VAL 77 3.242 -3.087 4.192 610 3HG1 VAL 77 HG13 VAL 77 4.616 -4.154 3.897 611 1HG2 VAL 77 HG21 VAL 77 5.246 -1.870 1.192 612 2HG2 VAL 77 HG22 VAL 77 5.917 -2.795 2.536 613 3HG2 VAL 77 HG23 VAL 77 4.838 -1.437 2.853 614 H SER 78 HN SER 78 2.138 -3.804 -0.429 615 HA SER 78 HA SER 78 0.119 -5.440 0.762 616 1HB SER 78 HB2 SER 78 -0.052 -3.411 -0.916 617 2HB SER 78 HB1 SER 78 0.033 -4.665 -2.141 618 HG SER 78 HG SER 78 -1.912 -5.275 -1.620 619 H MET 79 HN MET 79 2.499 -5.944 -1.745 620 HA MET 79 HA MET 79 1.384 -8.425 -2.714 621 1HB MET 79 HB2 MET 79 2.981 -6.917 -3.986 622 2HB MET 79 HB1 MET 79 4.252 -7.482 -2.906 623 1HG MET 79 HG2 MET 79 3.275 -9.886 -3.678 624 2HG MET 79 HG1 MET 79 2.849 -8.939 -5.103 625 1HE MET 79 HE1 MET 79 5.849 -9.456 -7.089 626 2HE MET 79 HE2 MET 79 4.243 -8.744 -6.963 627 3HE MET 79 HE3 MET 79 4.470 -10.456 -6.612 628 H VAL 80 HN VAL 80 3.662 -7.547 -0.193 629 HA VAL 80 HA VAL 80 4.329 -10.377 0.281 630 HB VAL 80 HB VAL 80 6.057 -9.640 1.615 631 1HG1 VAL 80 HG11 VAL 80 6.136 -8.387 -0.591 632 2HG1 VAL 80 HG12 VAL 80 7.082 -7.684 0.723 633 3HG1 VAL 80 HG13 VAL 80 5.523 -6.989 0.288 634 1HG2 VAL 80 HG21 VAL 80 4.840 -8.708 3.452 635 2HG2 VAL 80 HG22 VAL 80 4.246 -7.374 2.471 636 3HG2 VAL 80 HG23 VAL 80 5.946 -7.439 2.926 637 H THR 81 HN THR 81 2.315 -7.756 1.505 638 HA THR 81 HA THR 81 1.524 -9.164 3.908 639 HB THR 81 HB THR 81 -0.067 -7.115 2.333 640 HG1 THR 81 HG1 THR 81 2.071 -6.437 2.939 641 1HG2 THR 81 HG21 THR 81 -1.517 -8.021 3.938 642 2HG2 THR 81 HG22 THR 81 -0.842 -6.619 4.767 643 3HG2 THR 81 HG23 THR 81 -0.230 -8.232 5.126 644 H THR 82 HN THR 82 0.401 -9.041 0.525 645 HA THR 82 HA THR 82 -1.999 -10.504 0.931 646 HB THR 82 HB THR 82 -1.624 -11.071 -1.546 647 HG1 THR 82 HG1 THR 82 0.778 -10.543 -1.010 648 1HG2 THR 82 HG21 THR 82 -1.591 -8.388 -1.980 649 2HG2 THR 82 HG22 THR 82 -1.945 -8.396 -0.248 650 3HG2 THR 82 HG23 THR 82 -3.006 -9.243 -1.365 651 H ALA 83 HN ALA 83 1.367 -11.634 0.285 652 HA ALA 83 HA ALA 83 0.672 -14.376 -0.048 653 1HB ALA 83 HB1 ALA 83 2.946 -13.238 -0.466 654 2HB ALA 83 HB2 ALA 83 2.992 -14.827 0.297 655 3HB ALA 83 HB3 ALA 83 3.207 -13.373 1.272 656 H CYS 84 HN CYS 84 1.166 -12.315 2.761 657 HA CYS 84 HA CYS 84 1.145 -14.474 4.701 658 1HB CYS 84 HB2 CYS 84 0.281 -11.617 5.206 659 2HB CYS 84 HB1 CYS 84 0.983 -12.756 6.357 660 HG CYS 84 HG CYS 84 3.286 -12.421 5.316 661 H HIS 85 HN HIS 85 -1.270 -12.890 2.833 662 HA HIS 85 HA HIS 85 -3.470 -13.722 4.642 663 1HB HIS 85 HB2 HIS 85 -4.007 -11.638 3.731 664 2HB HIS 85 HB1 HIS 85 -3.245 -12.005 2.188 665 HD1 HIS 85 HD1 HIS 85 -4.789 -12.674 0.339 666 HD2 HIS 85 HD2 HIS 85 -6.522 -13.279 4.080 667 HE1 HIS 85 HE1 HIS 85 -7.155 -13.481 -0.087 668 H GLU 86 HN GLU 86 -2.044 -14.570 1.490 669 HA GLU 86 HA GLU 86 -4.188 -16.446 0.882 670 1HB GLU 86 HB2 GLU 86 -3.007 -16.962 -1.082 671 2HB GLU 86 HB1 GLU 86 -2.544 -15.291 -0.773 672 1HG GLU 86 HG2 GLU 86 -0.533 -16.296 0.516 673 2HG GLU 86 HG1 GLU 86 -0.936 -17.804 -0.302 674 H PHE 87 HN PHE 87 -0.987 -16.680 2.350 675 HA PHE 87 HA PHE 87 -0.755 -19.503 2.458 676 1HB PHE 87 HB2 PHE 87 1.079 -17.979 3.076 677 2HB PHE 87 HB1 PHE 87 0.163 -17.438 4.482 678 HD1 PHE 87 HD1 PHE 87 0.197 -18.668 6.512 679 HD2 PHE 87 HD2 PHE 87 1.731 -20.436 2.910 680 HE1 PHE 87 HE1 PHE 87 1.111 -20.559 7.830 681 HE2 PHE 87 HE2 PHE 87 2.644 -22.328 4.227 682 HZ PHE 87 HZ PHE 87 2.335 -22.388 6.688 683 H PHE 88 HN PHE 88 -1.988 -17.309 5.013 684 HA PHE 88 HA PHE 88 -3.020 -19.452 6.632 685 1HB PHE 88 HB2 PHE 88 -2.576 -17.256 7.603 686 2HB PHE 88 HB1 PHE 88 -3.763 -16.511 6.533 687 HD1 PHE 88 HD1 PHE 88 -6.190 -17.057 6.779 688 HD2 PHE 88 HD2 PHE 88 -3.243 -18.443 9.582 689 HE1 PHE 88 HE1 PHE 88 -7.983 -17.558 8.416 690 HE2 PHE 88 HE2 PHE 88 -5.038 -18.944 11.219 691 HZ PHE 88 HZ PHE 88 -7.409 -18.503 10.636 692 H GLU 89 HN GLU 89 -4.400 -17.516 4.017 693 HA GLU 89 HA GLU 89 -7.051 -18.798 4.389 694 1HB GLU 89 HB2 GLU 89 -6.607 -16.296 3.740 695 2HB GLU 89 HB1 GLU 89 -6.340 -16.936 2.119 696 1HG GLU 89 HG2 GLU 89 -8.618 -18.159 2.474 697 2HG GLU 89 HG1 GLU 89 -8.857 -17.007 3.784 698 H HIS 90 HN HIS 90 -4.369 -20.037 3.297 699 HA HIS 90 HA HIS 90 -4.918 -20.748 0.558 700 1HB HIS 90 HB2 HIS 90 -2.679 -20.929 1.802 701 2HB HIS 90 HB1 HIS 90 -3.319 -22.403 2.523 702 HD1 HIS 90 HD1 HIS 90 -4.928 -22.979 -0.327 703 HD2 HIS 90 HD2 HIS 90 -0.823 -22.588 0.308 704 HE1 HIS 90 HE1 HIS 90 -3.785 -24.181 -2.246 705 HE2 HIS 90 HE2 HIS 90 -1.288 -23.949 -1.866 706 H GLU 91 HN GLU 91 -6.975 -21.633 0.268 707 HA GLU 91 HA GLU 91 -7.994 -23.691 2.084 708 1HB GLU 91 HB2 GLU 91 -9.420 -21.987 0.822 709 2HB GLU 91 HB1 GLU 91 -9.113 -22.946 -0.627 710 1HG GLU 91 HG2 GLU 91 -10.034 -24.947 0.530 711 2HG GLU 91 HG1 GLU 91 -10.405 -23.939 1.931 712 1H MET 0 HT1 MET 0 7.257 -8.440 11.811 713 2H MET 0 HT2 MET 0 8.880 -8.624 12.280 714 3H MET 0 HT3 MET 0 8.301 -7.103 11.791 715 HA MET 0 HA MET 0 6.624 -7.794 13.822 716 1HB MET 0 HB2 MET 0 8.411 -9.629 14.223 717 2HB MET 0 HB1 MET 0 9.448 -8.311 14.763 718 1HG MET 0 HG2 MET 0 8.435 -8.990 16.767 719 2HG MET 0 HG1 MET 0 7.399 -7.657 16.266 720 1HE MET 0 HE1 MET 0 8.192 -11.232 16.285 721 2HE MET 0 HE2 MET 0 7.319 -11.611 14.804 722 3HE MET 0 HE3 MET 0 6.659 -12.112 16.358 723 H SER 1 HN SER 1 7.636 -5.611 12.187 724 HA SER 1 HA SER 1 8.498 -3.731 14.362 725 1HB SER 1 HB2 SER 1 9.812 -2.514 12.655 726 2HB SER 1 HB1 SER 1 10.412 -4.153 12.893 727 HG SER 1 HG SER 1 9.974 -3.279 10.642 728 H GLU 2 HN GLU 2 8.382 -1.421 12.877 729 HA GLU 2 HA GLU 2 5.682 -0.665 13.012 730 1HB GLU 2 HB2 GLU 2 7.925 0.430 11.299 731 2HB GLU 2 HB1 GLU 2 6.343 1.201 11.425 732 1HG GLU 2 HG2 GLU 2 6.635 1.304 13.902 733 2HG GLU 2 HG1 GLU 2 8.259 0.648 13.708 734 H LEU 3 HN LEU 3 7.386 -2.365 10.464 735 HA LEU 3 HA LEU 3 5.255 -1.946 8.513 736 1HB LEU 3 HB2 LEU 3 7.884 -3.313 8.593 737 2HB LEU 3 HB1 LEU 3 6.698 -4.116 7.570 738 HG LEU 3 HG LEU 3 8.209 -2.340 6.478 739 1HD1 LEU 3 HD11 LEU 3 5.196 -2.193 6.238 740 2HD1 LEU 3 HD12 LEU 3 6.285 -3.238 5.331 741 3HD1 LEU 3 HD13 LEU 3 6.321 -1.495 5.076 742 1HD2 LEU 3 HD21 LEU 3 7.926 -0.098 6.903 743 2HD2 LEU 3 HD22 LEU 3 7.525 -0.706 8.504 744 3HD2 LEU 3 HD23 LEU 3 6.242 -0.265 7.378 745 H GLU 4 HN GLU 4 5.971 -4.294 11.010 746 HA GLU 4 HA GLU 4 4.128 -6.299 9.987 747 1HB GLU 4 HB2 GLU 4 5.877 -7.062 11.459 748 2HB GLU 4 HB1 GLU 4 5.425 -5.892 12.697 749 1HG GLU 4 HG2 GLU 4 3.334 -7.854 11.780 750 2HG GLU 4 HG1 GLU 4 4.609 -8.438 12.843 751 H LYS 5 HN LYS 5 3.921 -3.481 12.055 752 HA LYS 5 HA LYS 5 1.339 -4.097 13.193 753 1HB LYS 5 HB2 LYS 5 3.034 -1.618 12.901 754 2HB LYS 5 HB1 LYS 5 1.364 -1.462 13.443 755 1HG LYS 5 HG2 LYS 5 1.741 -2.693 15.400 756 2HG LYS 5 HG1 LYS 5 3.183 -3.475 14.760 757 1HD LYS 5 HD2 LYS 5 3.392 -0.508 14.931 758 2HD LYS 5 HD1 LYS 5 3.206 -1.305 16.488 759 1HE LYS 5 HE2 LYS 5 5.223 -2.379 14.525 760 2HE LYS 5 HE1 LYS 5 5.617 -0.961 15.494 761 1HZ LYS 5 HZ1 LYS 5 5.941 -2.239 17.255 762 2HZ LYS 5 HZ2 LYS 5 5.728 -3.611 16.277 763 3HZ LYS 5 HZ3 LYS 5 4.406 -2.942 17.108 764 H ALA 6 HN ALA 6 2.407 -2.127 10.424 765 HA ALA 6 HA ALA 6 -0.186 -1.303 9.610 766 1HB ALA 6 HB1 ALA 6 2.225 -1.763 7.841 767 2HB ALA 6 HB2 ALA 6 1.963 -0.306 8.799 768 3HB ALA 6 HB3 ALA 6 0.852 -0.714 7.492 769 H MET 7 HN MET 7 1.831 -3.940 8.309 770 HA MET 7 HA MET 7 -0.024 -4.936 6.456 771 1HB MET 7 HB2 MET 7 2.019 -6.423 8.141 772 2HB MET 7 HB1 MET 7 1.112 -7.181 6.833 773 1HG MET 7 HG2 MET 7 2.012 -5.109 5.440 774 2HG MET 7 HG1 MET 7 3.255 -5.090 6.680 775 1HE MET 7 HE1 MET 7 5.706 -7.538 5.559 776 2HE MET 7 HE2 MET 7 5.021 -6.970 7.080 777 3HE MET 7 HE3 MET 7 5.352 -5.819 5.787 778 H VAL 8 HN VAL 8 0.152 -5.558 9.950 779 HA VAL 8 HA VAL 8 -1.989 -7.541 9.841 780 HB VAL 8 HB VAL 8 -0.546 -6.068 12.052 781 1HG1 VAL 8 HG11 VAL 8 -3.067 -7.722 12.305 782 2HG1 VAL 8 HG12 VAL 8 -2.753 -6.109 12.952 783 3HG1 VAL 8 HG13 VAL 8 -1.940 -7.512 13.646 784 1HG2 VAL 8 HG21 VAL 8 -0.938 -9.013 11.433 785 2HG2 VAL 8 HG22 VAL 8 0.091 -8.351 12.703 786 3HG2 VAL 8 HG23 VAL 8 0.489 -8.067 11.007 787 H ALA 9 HN ALA 9 -1.759 -4.117 10.661 788 HA ALA 9 HA ALA 9 -4.450 -3.746 11.478 789 1HB ALA 9 HB1 ALA 9 -4.023 -1.446 11.340 790 2HB ALA 9 HB2 ALA 9 -2.974 -1.622 9.932 791 3HB ALA 9 HB3 ALA 9 -2.401 -2.112 11.525 792 H LEU 10 HN LEU 10 -3.017 -3.789 8.205 793 HA LEU 10 HA LEU 10 -5.552 -2.948 7.000 794 1HB LEU 10 HB2 LEU 10 -2.832 -3.688 6.003 795 2HB LEU 10 HB1 LEU 10 -4.164 -3.877 4.868 796 HG LEU 10 HG LEU 10 -4.834 -1.492 5.384 797 1HD1 LEU 10 HD11 LEU 10 -3.205 -0.059 6.502 798 2HD1 LEU 10 HD12 LEU 10 -2.111 -1.425 6.721 799 3HD1 LEU 10 HD13 LEU 10 -3.652 -1.382 7.579 800 1HD2 LEU 10 HD21 LEU 10 -3.668 -1.814 3.350 801 2HD2 LEU 10 HD22 LEU 10 -2.156 -2.176 4.176 802 3HD2 LEU 10 HD23 LEU 10 -2.774 -0.525 4.157 803 H ILE 11 HN ILE 11 -3.774 -6.062 7.087 804 HA ILE 11 HA ILE 11 -5.460 -7.627 5.543 805 HB ILE 11 HB ILE 11 -4.048 -8.301 8.136 806 1HG1 ILE 11 HG12 ILE 11 -3.468 -9.132 5.282 807 2HG1 ILE 11 HG11 ILE 11 -2.771 -7.693 6.019 808 1HG2 ILE 11 HG21 ILE 11 -5.794 -9.932 8.013 809 2HG2 ILE 11 HG22 ILE 11 -4.371 -10.711 7.320 810 3HG2 ILE 11 HG23 ILE 11 -5.632 -10.075 6.263 811 1HD1 ILE 11 HD11 ILE 11 -1.559 -10.107 6.095 812 2HD1 ILE 11 HD12 ILE 11 -2.505 -10.225 7.579 813 3HD1 ILE 11 HD13 ILE 11 -1.358 -8.902 7.365 814 H ASP 12 HN ASP 12 -6.107 -6.287 8.725 815 HA ASP 12 HA ASP 12 -8.482 -7.922 9.173 816 1HB ASP 12 HB2 ASP 12 -7.213 -6.997 11.075 817 2HB ASP 12 HB1 ASP 12 -7.568 -5.362 10.517 818 H VAL 13 HN VAL 13 -7.935 -4.492 8.367 819 HA VAL 13 HA VAL 13 -10.762 -4.027 7.826 820 HB VAL 13 HB VAL 13 -8.336 -2.364 7.067 821 1HG1 VAL 13 HG11 VAL 13 -10.195 -0.519 7.371 822 2HG1 VAL 13 HG12 VAL 13 -11.306 -1.860 7.078 823 3HG1 VAL 13 HG13 VAL 13 -10.104 -1.428 5.862 824 1HG2 VAL 13 HG21 VAL 13 -9.994 -2.534 9.588 825 2HG2 VAL 13 HG22 VAL 13 -9.073 -1.087 9.179 826 3HG2 VAL 13 HG23 VAL 13 -8.239 -2.623 9.419 827 H PHE 14 HN PHE 14 -7.980 -5.023 6.055 828 HA PHE 14 HA PHE 14 -9.100 -4.450 3.419 829 1HB PHE 14 HB2 PHE 14 -6.739 -4.603 3.414 830 2HB PHE 14 HB1 PHE 14 -6.748 -6.110 4.321 831 HD1 PHE 14 HD1 PHE 14 -8.803 -5.184 1.310 832 HD2 PHE 14 HD2 PHE 14 -5.653 -7.642 2.903 833 HE1 PHE 14 HE1 PHE 14 -8.772 -6.497 -0.779 834 HE2 PHE 14 HE2 PHE 14 -5.625 -8.948 0.797 835 HZ PHE 14 HZ PHE 14 -7.198 -8.383 -1.035 836 H HIS 15 HN HIS 15 -8.912 -7.405 5.415 837 HA HIS 15 HA HIS 15 -10.280 -8.991 3.396 838 1HB HIS 15 HB2 HIS 15 -8.652 -9.750 5.319 839 2HB HIS 15 HB1 HIS 15 -10.117 -9.800 6.296 840 HD1 HIS 15 HD1 HIS 15 -8.835 -12.457 5.857 841 HD2 HIS 15 HD2 HIS 15 -11.555 -10.891 3.110 842 HE1 HIS 15 HE1 HIS 15 -9.702 -14.416 4.509 843 H GLN 16 HN GLN 16 -11.297 -7.128 6.208 844 HA GLN 16 HA GLN 16 -13.909 -8.299 6.484 845 1HB GLN 16 HB2 GLN 16 -12.753 -5.615 7.253 846 2HB GLN 16 HB1 GLN 16 -14.425 -6.049 7.607 847 1HG GLN 16 HG2 GLN 16 -12.140 -7.856 8.408 848 2HG GLN 16 HG1 GLN 16 -12.653 -6.521 9.437 849 1HE2 GLN 16 HE21 GLN 16 -13.118 -8.678 10.807 850 2HE2 GLN 16 HE22 GLN 16 -14.701 -9.275 10.673 851 H TYR 17 HN TYR 17 -12.647 -5.718 4.457 852 HA TYR 17 HA TYR 17 -15.370 -5.099 3.430 853 1HB TYR 17 HB2 TYR 17 -12.630 -3.890 3.019 854 2HB TYR 17 HB1 TYR 17 -13.980 -3.470 1.970 855 HD1 TYR 17 HD1 TYR 17 -15.474 -1.769 2.627 856 HD2 TYR 17 HD2 TYR 17 -13.074 -3.733 5.598 857 HE1 TYR 17 HE1 TYR 17 -16.317 -0.197 4.344 858 HE2 TYR 17 HE2 TYR 17 -13.917 -2.159 7.317 859 HH TYR 17 HH TYR 17 -16.487 0.141 6.604 860 H SER 18 HN SER 18 -12.206 -6.034 2.028 861 HA SER 18 HA SER 18 -13.170 -6.686 -0.540 862 1HB SER 18 HB2 SER 18 -10.739 -6.698 0.437 863 2HB SER 18 HB1 SER 18 -11.072 -8.384 0.817 864 HG SER 18 HG SER 18 -11.860 -7.677 -1.699 865 H GLY 19 HN GLY 19 -13.633 -8.261 2.509 866 1HA GLY 19 HA2 GLY 19 -14.652 -10.752 1.225 867 2HA GLY 19 HA1 GLY 19 -14.317 -10.545 2.943 868 H ARG 20 HN ARG 20 -15.866 -7.756 2.089 869 HA ARG 20 HA ARG 20 -18.284 -8.396 3.462 870 1HB ARG 20 HB2 ARG 20 -17.468 -6.095 3.204 871 2HB ARG 20 HB1 ARG 20 -17.678 -6.198 1.458 872 1HG ARG 20 HG2 ARG 20 -20.150 -6.601 1.869 873 2HG ARG 20 HG1 ARG 20 -19.853 -6.252 3.571 874 1HD ARG 20 HD2 ARG 20 -18.823 -4.053 2.811 875 2HD ARG 20 HD1 ARG 20 -19.463 -4.406 1.205 876 HE ARG 20 HE ARG 20 -21.630 -3.905 2.010 877 1HH1 ARG 20 HH21 ARG 20 -19.348 -4.359 4.549 878 2HH1 ARG 20 HH22 ARG 20 -20.410 -3.777 5.789 879 1HH2 ARG 20 HH11 ARG 20 -23.026 -3.130 3.602 880 2HH2 ARG 20 HH12 ARG 20 -22.499 -3.086 5.252 881 H GLU 21 HN GLU 21 -17.500 -8.233 0.004 882 HA GLU 21 HA GLU 21 -19.528 -10.222 -0.612 883 1HB GLU 21 HB2 GLU 21 -20.814 -8.721 -2.194 884 2HB GLU 21 HB1 GLU 21 -21.096 -8.428 -0.480 885 1HG GLU 21 HG2 GLU 21 -19.074 -6.669 -0.866 886 2HG GLU 21 HG1 GLU 21 -19.709 -6.715 -2.509 887 H GLY 22 HN GLY 22 -19.720 -10.400 -3.134 888 1HA GLY 22 HA2 GLY 22 -18.647 -10.253 -5.282 889 2HA GLY 22 HA1 GLY 22 -17.241 -9.519 -4.512 890 H ASP 23 HN ASP 23 -16.025 -11.166 -5.775 891 HA ASP 23 HA ASP 23 -16.260 -13.939 -5.557 892 1HB ASP 23 HB2 ASP 23 -13.694 -12.321 -5.566 893 2HB ASP 23 HB1 ASP 23 -13.824 -14.036 -5.964 894 H LYS 24 HN LYS 24 -13.612 -12.442 -3.735 895 HA LYS 24 HA LYS 24 -14.611 -13.203 -1.142 896 1HB LYS 24 HB2 LYS 24 -14.229 -15.468 -1.961 897 2HB LYS 24 HB1 LYS 24 -12.604 -15.044 -2.484 898 1HG LYS 24 HG2 LYS 24 -12.653 -16.301 -0.324 899 2HG LYS 24 HG1 LYS 24 -11.889 -14.725 -0.181 900 1HD LYS 24 HD2 LYS 24 -13.774 -13.787 0.923 901 2HD LYS 24 HD1 LYS 24 -14.828 -15.108 0.414 902 1HE LYS 24 HE2 LYS 24 -13.737 -16.651 1.903 903 2HE LYS 24 HE1 LYS 24 -12.449 -15.497 2.249 904 1HZ LYS 24 HZ1 LYS 24 -14.485 -14.036 2.980 905 2HZ LYS 24 HZ2 LYS 24 -13.780 -15.157 4.043 906 3HZ LYS 24 HZ3 LYS 24 -15.211 -15.550 3.216 907 H HIS 25 HN HIS 25 -12.335 -11.779 -3.220 908 HA HIS 25 HA HIS 25 -11.082 -10.411 -0.966 909 1HB HIS 25 HB2 HIS 25 -9.905 -12.799 -1.677 910 2HB HIS 25 HB1 HIS 25 -8.978 -11.673 -2.655 911 HD2 HIS 25 HD2 HIS 25 -6.838 -10.694 -1.215 912 HE1 HIS 25 HE1 HIS 25 -8.481 -11.063 2.656 913 HE2 HIS 25 HE2 HIS 25 -6.422 -10.396 1.346 914 H LYS 26 HN LYS 26 -12.542 -9.190 -2.839 915 HA LYS 26 HA LYS 26 -10.505 -7.656 -4.386 916 1HB LYS 26 HB2 LYS 26 -11.865 -9.367 -5.796 917 2HB LYS 26 HB1 LYS 26 -13.237 -8.299 -5.518 918 1HG LYS 26 HG2 LYS 26 -12.409 -7.415 -7.511 919 2HG LYS 26 HG1 LYS 26 -11.562 -6.414 -6.337 920 1HD LYS 26 HD2 LYS 26 -9.803 -7.082 -7.730 921 2HD LYS 26 HD1 LYS 26 -9.721 -8.306 -6.469 922 1HE LYS 26 HE2 LYS 26 -9.660 -9.620 -8.398 923 2HE LYS 26 HE1 LYS 26 -11.383 -9.625 -8.034 924 1HZ LYS 26 HZ1 LYS 26 -10.202 -8.795 -10.366 925 2HZ LYS 26 HZ2 LYS 26 -10.658 -7.356 -9.587 926 3HZ LYS 26 HZ3 LYS 26 -11.818 -8.555 -9.911 927 H LEU 27 HN LEU 27 -11.046 -5.425 -4.533 928 HA LEU 27 HA LEU 27 -12.977 -4.554 -2.481 929 1HB LEU 27 HB2 LEU 27 -10.556 -3.590 -3.101 930 2HB LEU 27 HB1 LEU 27 -11.489 -2.591 -4.208 931 HG LEU 27 HG LEU 27 -12.306 -2.786 -1.289 932 1HD1 LEU 27 HD11 LEU 27 -10.941 -0.749 -0.893 933 2HD1 LEU 27 HD12 LEU 27 -10.193 -0.981 -2.475 934 3HD1 LEU 27 HD13 LEU 27 -9.978 -2.192 -1.208 935 1HD2 LEU 27 HD21 LEU 27 -13.353 -0.679 -1.728 936 2HD2 LEU 27 HD22 LEU 27 -13.733 -1.685 -3.121 937 3HD2 LEU 27 HD23 LEU 27 -12.466 -0.469 -3.236 938 H LYS 28 HN LYS 28 -15.005 -3.955 -2.915 939 HA LYS 28 HA LYS 28 -15.861 -3.505 -5.750 940 1HB LYS 28 HB2 LYS 28 -17.264 -4.371 -3.225 941 2HB LYS 28 HB1 LYS 28 -18.195 -3.665 -4.532 942 1HG LYS 28 HG2 LYS 28 -18.214 -6.095 -4.729 943 2HG LYS 28 HG1 LYS 28 -17.335 -5.388 -6.080 944 1HD LYS 28 HD2 LYS 28 -16.198 -7.379 -5.139 945 2HD LYS 28 HD1 LYS 28 -15.203 -5.928 -5.021 946 1HE LYS 28 HE2 LYS 28 -15.477 -7.544 -2.939 947 2HE LYS 28 HE1 LYS 28 -15.443 -5.800 -2.708 948 1HZ LYS 28 HZ1 LYS 28 -17.650 -5.732 -2.246 949 2HZ LYS 28 HZ2 LYS 28 -17.333 -7.311 -1.716 950 3HZ LYS 28 HZ3 LYS 28 -18.025 -7.051 -3.243 951 H LYS 29 HN LYS 29 -16.993 -1.498 -6.245 952 HA LYS 29 HA LYS 29 -16.236 0.842 -4.922 953 1HB LYS 29 HB2 LYS 29 -18.814 0.259 -6.414 954 2HB LYS 29 HB1 LYS 29 -18.327 1.874 -5.899 955 1HG LYS 29 HG2 LYS 29 -16.103 1.367 -7.166 956 2HG LYS 29 HG1 LYS 29 -17.020 0.076 -7.941 957 1HD LYS 29 HD2 LYS 29 -17.793 3.008 -7.914 958 2HD LYS 29 HD1 LYS 29 -17.087 2.150 -9.283 959 1HE LYS 29 HE2 LYS 29 -19.060 0.531 -9.104 960 2HE LYS 29 HE1 LYS 29 -19.794 1.703 -8.009 961 1HZ LYS 29 HZ1 LYS 29 -18.829 2.390 -10.729 962 2HZ LYS 29 HZ2 LYS 29 -19.777 3.348 -9.693 963 3HZ LYS 29 HZ3 LYS 29 -20.431 1.945 -10.392 964 H SER 30 HN SER 30 -19.184 -1.090 -4.317 965 HA SER 30 HA SER 30 -20.371 0.451 -2.298 966 1HB SER 30 HB2 SER 30 -20.097 -2.570 -2.393 967 2HB SER 30 HB1 SER 30 -21.224 -1.695 -1.362 968 HG SER 30 HG SER 30 -21.110 -1.659 -4.204 969 H GLU 31 HN GLU 31 -17.335 -0.985 -2.315 970 HA GLU 31 HA GLU 31 -17.070 -0.895 0.674 971 1HB GLU 31 HB2 GLU 31 -15.185 -2.105 -1.361 972 2HB GLU 31 HB1 GLU 31 -14.982 -2.135 0.380 973 1HG GLU 31 HG2 GLU 31 -17.122 -3.344 0.618 974 2HG GLU 31 HG1 GLU 31 -17.312 -3.336 -1.134 975 H LEU 32 HN LEU 32 -15.731 0.440 -2.320 976 HA LEU 32 HA LEU 32 -13.718 1.970 -0.964 977 1HB LEU 32 HB2 LEU 32 -14.328 1.455 -3.619 978 2HB LEU 32 HB1 LEU 32 -14.756 3.154 -3.473 979 HG LEU 32 HG LEU 32 -12.083 1.999 -2.608 980 1HD1 LEU 32 HD11 LEU 32 -11.277 3.281 -4.672 981 2HD1 LEU 32 HD12 LEU 32 -12.964 3.321 -5.180 982 3HD1 LEU 32 HD13 LEU 32 -12.143 1.775 -4.979 983 1HD2 LEU 32 HD21 LEU 32 -11.409 4.346 -2.487 984 2HD2 LEU 32 HD22 LEU 32 -12.836 4.099 -1.481 985 3HD2 LEU 32 HD23 LEU 32 -12.993 4.859 -3.066 986 H LYS 33 HN LYS 33 -16.982 2.807 -2.088 987 HA LYS 33 HA LYS 33 -16.902 5.476 -0.969 988 1HB LYS 33 HB2 LYS 33 -18.910 3.636 -2.165 989 2HB LYS 33 HB1 LYS 33 -19.570 4.873 -1.100 990 1HG LYS 33 HG2 LYS 33 -18.834 6.640 -2.465 991 2HG LYS 33 HG1 LYS 33 -17.602 5.651 -3.247 992 1HD LYS 33 HD2 LYS 33 -20.590 5.260 -3.590 993 2HD LYS 33 HD1 LYS 33 -19.560 6.118 -4.731 994 1HE LYS 33 HE2 LYS 33 -18.169 3.781 -4.530 995 2HE LYS 33 HE1 LYS 33 -19.804 3.189 -4.239 996 1HZ LYS 33 HZ1 LYS 33 -19.402 3.144 -6.567 997 2HZ LYS 33 HZ2 LYS 33 -18.858 4.752 -6.575 998 3HZ LYS 33 HZ3 LYS 33 -20.491 4.407 -6.268 999 H GLU 34 HN GLU 34 -17.966 2.309 0.161 1000 HA GLU 34 HA GLU 34 -19.032 3.377 2.675 1001 1HB GLU 34 HB2 GLU 34 -19.875 1.265 1.644 1002 2HB GLU 34 HB1 GLU 34 -18.331 0.505 2.033 1003 1HG GLU 34 HG2 GLU 34 -18.685 0.911 4.412 1004 2HG GLU 34 HG1 GLU 34 -20.173 1.793 4.068 1005 H LEU 35 HN LEU 35 -15.973 1.954 1.649 1006 HA LEU 35 HA LEU 35 -14.930 1.698 4.342 1007 1HB LEU 35 HB2 LEU 35 -13.987 0.393 2.461 1008 2HB LEU 35 HB1 LEU 35 -13.485 1.888 1.674 1009 HG LEU 35 HG LEU 35 -12.124 2.336 3.858 1010 1HD1 LEU 35 HD11 LEU 35 -11.429 0.279 5.026 1011 2HD1 LEU 35 HD12 LEU 35 -12.580 -0.653 4.071 1012 3HD1 LEU 35 HD13 LEU 35 -13.156 0.556 5.215 1013 1HD2 LEU 35 HD21 LEU 35 -11.320 0.026 2.068 1014 2HD2 LEU 35 HD22 LEU 35 -10.234 1.069 2.987 1015 3HD2 LEU 35 HD23 LEU 35 -11.157 1.728 1.636 1016 H ILE 36 HN ILE 36 -15.009 4.228 1.899 1017 HA ILE 36 HA ILE 36 -13.118 5.931 3.280 1018 HB ILE 36 HB ILE 36 -15.101 6.402 1.049 1019 1HG1 ILE 36 HG12 ILE 36 -12.076 6.573 1.127 1020 2HG1 ILE 36 HG11 ILE 36 -12.952 5.108 0.691 1021 1HG2 ILE 36 HG21 ILE 36 -13.399 8.384 2.564 1022 2HG2 ILE 36 HG22 ILE 36 -15.076 8.539 2.043 1023 3HG2 ILE 36 HG23 ILE 36 -13.774 8.649 0.861 1024 1HD1 ILE 36 HD11 ILE 36 -13.991 6.229 -1.197 1025 2HD1 ILE 36 HD12 ILE 36 -12.247 6.473 -1.292 1026 3HD1 ILE 36 HD13 ILE 36 -13.288 7.772 -0.710 1027 H ASN 37 HN ASN 37 -16.633 5.599 3.249 1028 HA ASN 37 HA ASN 37 -17.016 7.916 5.006 1029 1HB ASN 37 HB2 ASN 37 -18.679 7.106 3.247 1030 2HB ASN 37 HB1 ASN 37 -19.052 5.781 4.352 1031 1HD2 ASN 37 HD21 ASN 37 -21.279 6.963 4.290 1032 2HD2 ASN 37 HD22 ASN 37 -21.512 8.203 5.425 1033 H ASN 38 HN ASN 38 -16.558 4.483 5.397 1034 HA ASN 38 HA ASN 38 -17.530 4.581 8.215 1035 1HB ASN 38 HB2 ASN 38 -16.492 2.231 6.611 1036 2HB ASN 38 HB1 ASN 38 -17.295 2.153 8.179 1037 1HD2 ASN 38 HD21 ASN 38 -19.069 0.870 7.224 1038 2HD2 ASN 38 HD22 ASN 38 -20.237 1.609 6.240 1039 H GLU 39 HN GLU 39 -14.500 3.766 6.479 1040 HA GLU 39 HA GLU 39 -13.077 3.727 9.114 1041 1HB GLU 39 HB2 GLU 39 -12.362 2.779 6.336 1042 2HB GLU 39 HB1 GLU 39 -11.146 2.924 7.605 1043 1HG GLU 39 HG2 GLU 39 -13.719 1.382 7.998 1044 2HG GLU 39 HG1 GLU 39 -12.251 0.629 7.374 1045 H LEU 40 HN LEU 40 -12.117 4.873 5.870 1046 HA LEU 40 HA LEU 40 -10.465 6.967 7.018 1047 1HB LEU 40 HB2 LEU 40 -11.365 7.048 4.153 1048 2HB LEU 40 HB1 LEU 40 -9.802 7.454 4.835 1049 HG LEU 40 HG LEU 40 -10.905 4.634 4.629 1050 1HD1 LEU 40 HD11 LEU 40 -10.446 5.523 2.426 1051 2HD1 LEU 40 HD12 LEU 40 -9.161 4.399 2.864 1052 3HD1 LEU 40 HD13 LEU 40 -8.883 6.139 2.957 1053 1HD2 LEU 40 HD21 LEU 40 -8.181 5.735 5.390 1054 2HD2 LEU 40 HD22 LEU 40 -8.549 4.028 5.148 1055 3HD2 LEU 40 HD23 LEU 40 -9.307 4.910 6.473 1056 H SER 41 HN SER 41 -13.185 7.154 7.972 1057 HA SER 41 HA SER 41 -14.433 9.352 6.469 1058 1HB SER 41 HB2 SER 41 -15.541 7.385 7.831 1059 2HB SER 41 HB1 SER 41 -15.309 8.456 9.203 1060 HG SER 41 HG SER 41 -17.098 9.320 8.499 1061 H HIS 42 HN HIS 42 -12.270 8.951 9.171 1062 HA HIS 42 HA HIS 42 -12.796 11.706 10.151 1063 1HB HIS 42 HB2 HIS 42 -10.878 9.589 11.170 1064 2HB HIS 42 HB1 HIS 42 -11.264 11.112 11.969 1065 HD1 HIS 42 HD1 HIS 42 -12.043 7.776 12.418 1066 HD2 HIS 42 HD2 HIS 42 -14.471 11.141 11.980 1067 HE1 HIS 42 HE1 HIS 42 -14.299 7.169 13.401 1068 HE2 HIS 42 HE2 HIS 42 -15.782 9.209 13.141 1069 H PHE 43 HN PHE 43 -10.621 10.026 8.061 1070 HA PHE 43 HA PHE 43 -8.679 12.319 8.149 1071 1HB PHE 43 HB2 PHE 43 -8.406 9.400 7.448 1072 2HB PHE 43 HB1 PHE 43 -7.288 10.564 6.740 1073 HD1 PHE 43 HD1 PHE 43 -8.866 10.040 10.111 1074 HD2 PHE 43 HD2 PHE 43 -5.257 10.736 7.890 1075 HE1 PHE 43 HE1 PHE 43 -7.570 10.062 12.225 1076 HE2 PHE 43 HE2 PHE 43 -3.962 10.757 10.003 1077 HZ PHE 43 HZ PHE 43 -5.117 10.420 12.171 1078 H LEU 44 HN LEU 44 -10.478 10.186 5.910 1079 HA LEU 44 HA LEU 44 -9.914 12.106 3.706 1080 1HB LEU 44 HB2 LEU 44 -10.878 9.269 3.815 1081 2HB LEU 44 HB1 LEU 44 -11.216 10.230 2.389 1082 HG LEU 44 HG LEU 44 -9.107 8.870 2.242 1083 1HD1 LEU 44 HD11 LEU 44 -8.040 10.458 0.965 1084 2HD1 LEU 44 HD12 LEU 44 -8.183 11.717 2.189 1085 3HD1 LEU 44 HD13 LEU 44 -9.569 11.302 1.184 1086 1HD2 LEU 44 HD21 LEU 44 -7.296 9.201 3.670 1087 2HD2 LEU 44 HD22 LEU 44 -8.624 9.433 4.790 1088 3HD2 LEU 44 HD23 LEU 44 -7.795 10.830 4.110 1089 H GLU 45 HN GLU 45 -11.489 13.457 2.946 1090 HA GLU 45 HA GLU 45 -13.821 14.037 4.397 1091 1HB GLU 45 HB2 GLU 45 -13.366 14.404 1.418 1092 2HB GLU 45 HB1 GLU 45 -14.599 15.225 2.375 1093 1HG GLU 45 HG2 GLU 45 -12.738 16.127 3.832 1094 2HG GLU 45 HG1 GLU 45 -11.594 15.480 2.653 1095 H GLU 46 HN GLU 46 -15.863 13.158 4.456 1096 HA GLU 46 HA GLU 46 -16.325 10.534 3.396 1097 1HB GLU 46 HB2 GLU 46 -18.257 12.623 4.454 1098 2HB GLU 46 HB1 GLU 46 -18.716 10.967 4.060 1099 1HG GLU 46 HG2 GLU 46 -18.285 10.918 6.383 1100 2HG GLU 46 HG1 GLU 46 -16.826 10.248 5.657 1101 H ILE 47 HN ILE 47 -16.288 10.324 1.155 1102 HA ILE 47 HA ILE 47 -17.435 12.365 -0.567 1103 HB ILE 47 HB ILE 47 -17.122 10.659 -2.380 1104 1HG1 ILE 47 HG12 ILE 47 -15.931 8.972 -0.158 1105 2HG1 ILE 47 HG11 ILE 47 -17.496 8.661 -0.907 1106 1HG2 ILE 47 HG21 ILE 47 -14.686 10.681 -2.307 1107 2HG2 ILE 47 HG22 ILE 47 -14.716 11.015 -0.574 1108 3HG2 ILE 47 HG23 ILE 47 -15.307 12.222 -1.717 1109 1HD1 ILE 47 HD11 ILE 47 -15.889 7.280 -2.045 1110 2HD1 ILE 47 HD12 ILE 47 -14.790 8.644 -2.258 1111 3HD1 ILE 47 HD13 ILE 47 -16.316 8.594 -3.135 1112 H LYS 48 HN LYS 48 -19.459 12.388 -1.490 1113 HA LYS 48 HA LYS 48 -21.375 10.216 -0.677 1114 1HB LYS 48 HB2 LYS 48 -21.931 13.169 -1.129 1115 2HB LYS 48 HB1 LYS 48 -23.125 11.949 -0.680 1116 1HG LYS 48 HG2 LYS 48 -21.842 11.496 1.407 1117 2HG LYS 48 HG1 LYS 48 -20.714 12.778 0.967 1118 1HD LYS 48 HD2 LYS 48 -22.685 14.360 0.880 1119 2HD LYS 48 HD1 LYS 48 -23.666 13.069 1.574 1120 1HE LYS 48 HE2 LYS 48 -21.172 14.253 2.831 1121 2HE LYS 48 HE1 LYS 48 -22.830 14.580 3.337 1122 1HZ LYS 48 HZ1 LYS 48 -22.326 11.786 3.168 1123 2HZ LYS 48 HZ2 LYS 48 -22.887 12.700 4.486 1124 3HZ LYS 48 HZ3 LYS 48 -21.219 12.535 4.211 1125 H GLU 49 HN GLU 49 -19.786 11.828 -3.163 1126 HA GLU 49 HA GLU 49 -21.768 10.888 -5.212 1127 1HB GLU 49 HB2 GLU 49 -19.722 13.126 -5.360 1128 2HB GLU 49 HB1 GLU 49 -20.732 12.595 -6.705 1129 1HG GLU 49 HG2 GLU 49 -21.805 13.603 -4.053 1130 2HG GLU 49 HG1 GLU 49 -21.665 14.587 -5.511 1131 H GLN 50 HN GLN 50 -21.076 9.102 -6.208 1132 HA GLN 50 HA GLN 50 -18.510 7.949 -5.922 1133 1HB GLN 50 HB2 GLN 50 -19.198 6.373 -7.593 1134 2HB GLN 50 HB1 GLN 50 -20.649 6.812 -6.698 1135 1HG GLN 50 HG2 GLN 50 -19.800 7.815 -9.432 1136 2HG GLN 50 HG1 GLN 50 -21.226 6.860 -9.032 1137 1HE2 GLN 50 HE21 GLN 50 -20.378 9.959 -9.823 1138 2HE2 GLN 50 HE22 GLN 50 -21.591 10.811 -8.995 1139 H GLU 51 HN GLU 51 -19.581 10.480 -8.044 1140 HA GLU 51 HA GLU 51 -18.013 10.312 -10.251 1141 1HB GLU 51 HB2 GLU 51 -19.488 12.224 -9.821 1142 2HB GLU 51 HB1 GLU 51 -18.374 12.801 -8.581 1143 1HG GLU 51 HG2 GLU 51 -16.643 13.196 -10.207 1144 2HG GLU 51 HG1 GLU 51 -17.565 12.379 -11.469 1145 H VAL 52 HN VAL 52 -16.771 11.352 -7.081 1146 HA VAL 52 HA VAL 52 -14.101 11.674 -8.226 1147 HB VAL 52 HB VAL 52 -13.430 11.802 -5.752 1148 1HG1 VAL 52 HG11 VAL 52 -13.793 13.819 -7.076 1149 2HG1 VAL 52 HG12 VAL 52 -14.493 14.048 -5.473 1150 3HG1 VAL 52 HG13 VAL 52 -15.536 13.689 -6.849 1151 1HG2 VAL 52 HG21 VAL 52 -16.443 11.890 -5.388 1152 2HG2 VAL 52 HG22 VAL 52 -15.221 12.051 -4.128 1153 3HG2 VAL 52 HG23 VAL 52 -15.439 10.509 -4.952 1154 H VAL 53 HN VAL 53 -15.870 9.228 -6.399 1155 HA VAL 53 HA VAL 53 -13.586 7.525 -6.105 1156 HB VAL 53 HB VAL 53 -16.211 7.488 -5.175 1157 1HG1 VAL 53 HG11 VAL 53 -15.889 4.998 -6.868 1158 2HG1 VAL 53 HG12 VAL 53 -16.879 6.371 -7.361 1159 3HG1 VAL 53 HG13 VAL 53 -17.286 5.469 -5.902 1160 1HG2 VAL 53 HG21 VAL 53 -15.523 5.232 -4.178 1161 2HG2 VAL 53 HG22 VAL 53 -14.425 6.578 -3.883 1162 3HG2 VAL 53 HG23 VAL 53 -14.043 5.383 -5.120 1163 H ASP 54 HN ASP 54 -15.682 8.332 -8.691 1164 HA ASP 54 HA ASP 54 -15.002 6.001 -10.341 1165 1HB ASP 54 HB2 ASP 54 -16.320 8.671 -10.917 1166 2HB ASP 54 HB1 ASP 54 -15.956 7.506 -12.192 1167 H LYS 55 HN LYS 55 -13.858 9.236 -9.700 1168 HA LYS 55 HA LYS 55 -11.912 9.228 -11.883 1169 1HB LYS 55 HB2 LYS 55 -12.923 11.330 -10.928 1170 2HB LYS 55 HB1 LYS 55 -12.026 11.035 -9.441 1171 1HG LYS 55 HG2 LYS 55 -10.414 10.991 -11.968 1172 2HG LYS 55 HG1 LYS 55 -11.053 12.559 -11.493 1173 1HD LYS 55 HD2 LYS 55 -9.659 10.865 -9.427 1174 2HD LYS 55 HD1 LYS 55 -8.698 11.771 -10.590 1175 1HE LYS 55 HE2 LYS 55 -9.821 13.850 -9.916 1176 2HE LYS 55 HE1 LYS 55 -10.818 12.950 -8.771 1177 1HZ LYS 55 HZ1 LYS 55 -9.070 12.597 -7.375 1178 2HZ LYS 55 HZ2 LYS 55 -8.607 14.098 -8.020 1179 3HZ LYS 55 HZ3 LYS 55 -7.908 12.666 -8.608 1180 H VAL 56 HN VAL 56 -11.662 9.038 -8.275 1181 HA VAL 56 HA VAL 56 -8.910 8.596 -8.118 1182 HB VAL 56 HB VAL 56 -10.767 8.768 -6.244 1183 1HG1 VAL 56 HG11 VAL 56 -10.373 5.773 -6.217 1184 2HG1 VAL 56 HG12 VAL 56 -11.757 6.516 -7.009 1185 3HG1 VAL 56 HG13 VAL 56 -11.513 6.739 -5.282 1186 1HG2 VAL 56 HG21 VAL 56 -8.414 8.811 -5.709 1187 2HG2 VAL 56 HG22 VAL 56 -8.260 7.081 -6.017 1188 3HG2 VAL 56 HG23 VAL 56 -9.187 7.649 -4.628 1189 H MET 57 HN MET 57 -11.495 6.255 -8.781 1190 HA MET 57 HA MET 57 -9.831 3.933 -8.882 1191 1HB MET 57 HB2 MET 57 -12.412 4.627 -10.312 1192 2HB MET 57 HB1 MET 57 -11.654 3.039 -10.416 1193 1HG MET 57 HG2 MET 57 -12.213 4.268 -7.719 1194 2HG MET 57 HG1 MET 57 -13.496 3.445 -8.602 1195 1HE MET 57 HE1 MET 57 -13.987 1.157 -8.417 1196 2HE MET 57 HE2 MET 57 -13.818 1.586 -6.714 1197 3HE MET 57 HE3 MET 57 -13.155 0.061 -7.306 1198 H GLU 58 HN GLU 58 -10.449 6.522 -11.169 1199 HA GLU 58 HA GLU 58 -9.306 5.230 -13.477 1200 1HB GLU 58 HB2 GLU 58 -10.748 7.395 -13.359 1201 2HB GLU 58 HB1 GLU 58 -9.230 8.213 -12.990 1202 1HG GLU 58 HG2 GLU 58 -8.261 7.165 -15.075 1203 2HG GLU 58 HG1 GLU 58 -9.887 6.605 -15.471 1204 H THR 59 HN THR 59 -7.995 6.894 -10.715 1205 HA THR 59 HA THR 59 -5.295 7.043 -11.908 1206 HB THR 59 HB THR 59 -6.215 7.768 -9.114 1207 HG1 THR 59 HG1 THR 59 -7.256 9.147 -10.415 1208 1HG2 THR 59 HG21 THR 59 -3.741 8.463 -10.714 1209 2HG2 THR 59 HG22 THR 59 -3.801 7.401 -9.308 1210 3HG2 THR 59 HG23 THR 59 -4.138 9.124 -9.129 1211 H LEU 60 HN LEU 60 -7.106 5.153 -9.530 1212 HA LEU 60 HA LEU 60 -4.625 3.654 -8.822 1213 1HB LEU 60 HB2 LEU 60 -7.362 3.896 -7.613 1214 2HB LEU 60 HB1 LEU 60 -6.388 2.477 -7.237 1215 HG LEU 60 HG LEU 60 -6.094 4.329 -5.599 1216 1HD1 LEU 60 HD11 LEU 60 -4.164 2.655 -6.558 1217 2HD1 LEU 60 HD12 LEU 60 -3.875 3.810 -5.264 1218 3HD1 LEU 60 HD13 LEU 60 -3.412 4.211 -6.913 1219 1HD2 LEU 60 HD21 LEU 60 -5.124 6.413 -6.215 1220 2HD2 LEU 60 HD22 LEU 60 -6.358 6.108 -7.436 1221 3HD2 LEU 60 HD23 LEU 60 -4.661 5.811 -7.807 1222 H ASP 61 HN ASP 61 -7.919 2.913 -10.175 1223 HA ASP 61 HA ASP 61 -7.520 0.138 -10.472 1224 1HB ASP 61 HB2 ASP 61 -9.597 1.586 -10.920 1225 2HB ASP 61 HB1 ASP 61 -8.904 1.866 -12.515 1226 H GLU 62 HN GLU 62 -5.741 -0.713 -11.314 1227 HA GLU 62 HA GLU 62 -4.390 0.590 -13.599 1228 1HB GLU 62 HB2 GLU 62 -3.209 -0.471 -11.528 1229 2HB GLU 62 HB1 GLU 62 -3.544 -2.012 -12.315 1230 1HG GLU 62 HG2 GLU 62 -2.073 0.295 -13.628 1231 2HG GLU 62 HG1 GLU 62 -1.284 -1.093 -12.878 1232 H ASP 63 HN ASP 63 -6.195 -2.301 -12.784 1233 HA ASP 63 HA ASP 63 -5.921 -3.384 -15.504 1234 1HB ASP 63 HB2 ASP 63 -7.931 -4.316 -13.447 1235 2HB ASP 63 HB1 ASP 63 -7.120 -5.254 -14.701 1236 H GLY 64 HN GLY 64 -7.643 -0.913 -14.033 1237 1HA GLY 64 HA2 GLY 64 -9.562 0.287 -14.702 1238 2HA GLY 64 HA1 GLY 64 -9.270 -0.385 -16.309 1239 H ASP 65 HN ASP 65 -9.976 -2.055 -13.256 1240 HA ASP 65 HA ASP 65 -12.221 -3.471 -14.666 1241 1HB ASP 65 HB2 ASP 65 -12.035 -5.049 -12.690 1242 2HB ASP 65 HB1 ASP 65 -10.621 -4.992 -13.744 1243 H GLY 66 HN GLY 66 -11.778 -0.909 -12.548 1244 1HA GLY 66 HA2 GLY 66 -13.465 0.332 -11.423 1245 2HA GLY 66 HA1 GLY 66 -14.633 -0.920 -11.861 1246 H GLU 67 HN GLU 67 -11.901 -2.331 -10.626 1247 HA GLU 67 HA GLU 67 -12.900 -2.336 -7.804 1248 1HB GLU 67 HB2 GLU 67 -11.871 -4.779 -9.281 1249 2HB GLU 67 HB1 GLU 67 -12.576 -4.725 -7.666 1250 1HG GLU 67 HG2 GLU 67 -14.703 -3.853 -8.724 1251 2HG GLU 67 HG1 GLU 67 -13.984 -4.204 -10.295 1252 H CYS 68 HN CYS 68 -11.169 -2.696 -6.261 1253 HA CYS 68 HA CYS 68 -8.445 -2.146 -7.407 1254 1HB CYS 68 HB2 CYS 68 -9.465 -1.499 -4.634 1255 2HB CYS 68 HB1 CYS 68 -7.934 -0.995 -5.347 1256 HG CYS 68 HG CYS 68 -10.650 -0.027 -6.563 1257 H ASP 69 HN ASP 69 -7.627 -4.250 -7.560 1258 HA ASP 69 HA ASP 69 -7.996 -6.347 -5.716 1259 1HB ASP 69 HB2 ASP 69 -5.457 -5.720 -7.262 1260 2HB ASP 69 HB1 ASP 69 -5.909 -7.289 -6.597 1261 H PHE 70 HN PHE 70 -5.616 -7.091 -4.557 1262 HA PHE 70 HA PHE 70 -5.460 -5.266 -2.304 1263 1HB PHE 70 HB2 PHE 70 -3.485 -6.973 -1.764 1264 2HB PHE 70 HB1 PHE 70 -5.162 -7.463 -1.623 1265 HD1 PHE 70 HD1 PHE 70 -6.036 -9.223 -2.938 1266 HD2 PHE 70 HD2 PHE 70 -2.277 -7.440 -3.989 1267 HE1 PHE 70 HE1 PHE 70 -5.678 -10.983 -4.648 1268 HE2 PHE 70 HE2 PHE 70 -1.918 -9.195 -5.699 1269 HZ PHE 70 HZ PHE 70 -3.618 -10.969 -6.030 1270 H GLN 71 HN GLN 71 -3.463 -5.916 -5.108 1271 HA GLN 71 HA GLN 71 -1.085 -4.683 -4.163 1272 1HB GLN 71 HB2 GLN 71 -1.190 -6.245 -6.094 1273 2HB GLN 71 HB1 GLN 71 -2.022 -4.998 -7.027 1274 1HG GLN 71 HG2 GLN 71 -0.139 -3.539 -6.914 1275 2HG GLN 71 HG1 GLN 71 0.663 -4.569 -5.721 1276 1HE2 GLN 71 HE21 GLN 71 -0.040 -4.183 -9.154 1277 2HE2 GLN 71 HE22 GLN 71 0.925 -5.474 -9.685 1278 H GLU 72 HN GLU 72 -3.785 -3.345 -6.102 1279 HA GLU 72 HA GLU 72 -2.489 -0.690 -5.972 1280 1HB GLU 72 HB2 GLU 72 -4.100 0.032 -7.551 1281 2HB GLU 72 HB1 GLU 72 -3.615 -1.584 -8.057 1282 1HG GLU 72 HG2 GLU 72 -5.721 -2.248 -6.473 1283 2HG GLU 72 HG1 GLU 72 -6.243 -0.638 -6.968 1284 H PHE 73 HN PHE 73 -5.208 -2.455 -4.553 1285 HA PHE 73 HA PHE 73 -6.575 -0.271 -3.448 1286 1HB PHE 73 HB2 PHE 73 -7.547 -2.459 -3.191 1287 2HB PHE 73 HB1 PHE 73 -6.130 -3.040 -2.324 1288 HD1 PHE 73 HD1 PHE 73 -6.933 -3.650 -0.208 1289 HD2 PHE 73 HD2 PHE 73 -8.043 0.179 -1.834 1290 HE1 PHE 73 HE1 PHE 73 -8.006 -3.034 1.940 1291 HE2 PHE 73 HE2 PHE 73 -9.103 0.779 0.312 1292 HZ PHE 73 HZ PHE 73 -9.100 -0.830 2.190 1293 H MET 74 HN MET 74 -3.680 -1.944 -2.206 1294 HA MET 74 HA MET 74 -3.561 -0.286 0.155 1295 1HB MET 74 HB2 MET 74 -2.173 -2.496 -0.666 1296 2HB MET 74 HB1 MET 74 -0.986 -1.252 -1.033 1297 1HG MET 74 HG2 MET 74 -1.596 -0.420 1.427 1298 2HG MET 74 HG1 MET 74 -2.090 -2.097 1.626 1299 1HE MET 74 HE1 MET 74 1.039 -3.438 2.928 1300 2HE MET 74 HE2 MET 74 -0.712 -3.465 2.793 1301 3HE MET 74 HE3 MET 74 0.083 -2.131 3.629 1302 H ALA 75 HN ALA 75 -2.236 -0.143 -3.101 1303 HA ALA 75 HA ALA 75 -0.696 2.228 -2.864 1304 1HB ALA 75 HB1 ALA 75 -0.871 2.476 -5.218 1305 2HB ALA 75 HB2 ALA 75 -2.438 1.687 -5.274 1306 3HB ALA 75 HB3 ALA 75 -0.986 0.746 -4.939 1307 H PHE 76 HN PHE 76 -4.133 1.870 -2.688 1308 HA PHE 76 HA PHE 76 -4.708 4.677 -3.270 1309 1HB PHE 76 HB2 PHE 76 -6.578 3.230 -3.557 1310 2HB PHE 76 HB1 PHE 76 -6.334 2.475 -1.994 1311 HD1 PHE 76 HD1 PHE 76 -8.113 2.964 -0.562 1312 HD2 PHE 76 HD2 PHE 76 -6.561 6.068 -3.100 1313 HE1 PHE 76 HE1 PHE 76 -9.676 4.581 0.456 1314 HE2 PHE 76 HE2 PHE 76 -8.128 7.688 -2.072 1315 HZ PHE 76 HZ PHE 76 -9.691 6.944 -0.288 1316 H VAL 77 HN VAL 77 -4.566 2.775 -0.233 1317 HA VAL 77 HA VAL 77 -4.841 4.954 1.549 1318 HB VAL 77 HB VAL 77 -2.950 2.612 1.943 1319 1HG1 VAL 77 HG11 VAL 77 -4.618 4.086 3.986 1320 2HG1 VAL 77 HG12 VAL 77 -2.995 4.607 3.552 1321 3HG1 VAL 77 HG13 VAL 77 -3.243 3.017 4.266 1322 1HG2 VAL 77 HG21 VAL 77 -4.965 1.563 3.067 1323 2HG2 VAL 77 HG22 VAL 77 -5.065 1.660 1.307 1324 3HG2 VAL 77 HG23 VAL 77 -5.949 2.814 2.308 1325 H SER 78 HN SER 78 -2.102 3.847 -0.329 1326 HA SER 78 HA SER 78 -0.087 5.445 0.920 1327 1HB SER 78 HB2 SER 78 0.083 3.468 -0.824 1328 2HB SER 78 HB1 SER 78 0.020 4.763 -2.004 1329 HG SER 78 HG SER 78 1.719 5.741 -0.574 1330 H MET 79 HN MET 79 -2.449 6.020 -1.588 1331 HA MET 79 HA MET 79 -1.330 8.524 -2.482 1332 1HB MET 79 HB2 MET 79 -2.920 7.050 -3.800 1333 2HB MET 79 HB1 MET 79 -4.198 7.594 -2.717 1334 1HG MET 79 HG2 MET 79 -3.199 10.011 -3.423 1335 2HG MET 79 HG1 MET 79 -2.775 9.098 -4.870 1336 1HE MET 79 HE1 MET 79 -4.264 10.611 -6.329 1337 2HE MET 79 HE2 MET 79 -5.766 9.830 -6.819 1338 3HE MET 79 HE3 MET 79 -4.272 8.899 -6.776 1339 H VAL 80 HN VAL 80 -3.630 7.585 -0.003 1340 HA VAL 80 HA VAL 80 -4.291 10.404 0.543 1341 HB VAL 80 HB VAL 80 -6.035 9.635 1.836 1342 1HG1 VAL 80 HG11 VAL 80 -5.497 7.001 0.478 1343 2HG1 VAL 80 HG12 VAL 80 -6.048 8.424 -0.407 1344 3HG1 VAL 80 HG13 VAL 80 -7.055 7.728 0.866 1345 1HG2 VAL 80 HG21 VAL 80 -4.217 7.361 2.671 1346 2HG2 VAL 80 HG22 VAL 80 -5.926 7.398 3.101 1347 3HG2 VAL 80 HG23 VAL 80 -4.843 8.670 3.673 1348 H THR 81 HN THR 81 -2.291 7.744 1.712 1349 HA THR 81 HA THR 81 -1.506 9.082 4.159 1350 HB THR 81 HB THR 81 0.086 7.079 2.531 1351 HG1 THR 81 HG1 THR 81 -2.070 6.401 3.129 1352 1HG2 THR 81 HG21 THR 81 0.178 8.008 5.399 1353 2HG2 THR 81 HG22 THR 81 1.466 8.078 4.199 1354 3HG2 THR 81 HG23 THR 81 0.958 6.523 4.859 1355 H THR 82 HN THR 82 -0.360 9.050 0.780 1356 HA THR 82 HA THR 82 2.042 10.496 1.234 1357 HB THR 82 HB THR 82 1.673 11.134 -1.228 1358 HG1 THR 82 HG1 THR 82 -0.581 9.514 -0.679 1359 1HG2 THR 82 HG21 THR 82 1.646 8.472 -1.744 1360 2HG2 THR 82 HG22 THR 82 1.984 8.420 -0.010 1361 3HG2 THR 82 HG23 THR 82 3.055 9.305 -1.087 1362 H ALA 83 HN ALA 83 -1.321 11.651 0.604 1363 HA ALA 83 HA ALA 83 -0.615 14.399 0.351 1364 1HB ALA 83 HB1 ALA 83 -2.849 13.632 -0.249 1365 2HB ALA 83 HB2 ALA 83 -2.995 14.800 1.066 1366 3HB ALA 83 HB3 ALA 83 -3.138 13.074 1.399 1367 H CYS 84 HN CYS 84 -1.138 12.266 3.097 1368 HA CYS 84 HA CYS 84 -1.122 14.370 5.097 1369 1HB CYS 84 HB2 CYS 84 -0.271 11.497 5.533 1370 2HB CYS 84 HB1 CYS 84 -0.973 12.611 6.707 1371 HG CYS 84 HG CYS 84 -3.099 11.507 6.019 1372 H HIS 85 HN HIS 85 1.303 12.825 3.202 1373 HA HIS 85 HA HIS 85 3.490 13.609 5.047 1374 1HB HIS 85 HB2 HIS 85 4.044 11.550 4.087 1375 2HB HIS 85 HB1 HIS 85 3.289 11.951 2.547 1376 HD1 HIS 85 HD1 HIS 85 4.836 12.697 0.728 1377 HD2 HIS 85 HD2 HIS 85 6.554 13.174 4.493 1378 HE1 HIS 85 HE1 HIS 85 7.196 13.523 0.337 1379 H GLU 86 HN GLU 86 2.088 14.545 1.909 1380 HA GLU 86 HA GLU 86 4.236 16.433 1.362 1381 1HB GLU 86 HB2 GLU 86 3.064 16.995 -0.597 1382 2HB GLU 86 HB1 GLU 86 2.595 15.321 -0.328 1383 1HG GLU 86 HG2 GLU 86 0.579 16.296 0.968 1384 2HG GLU 86 HG1 GLU 86 0.993 17.825 0.199 1385 H PHE 87 HN PHE 87 1.030 16.634 2.822 1386 HA PHE 87 HA PHE 87 0.805 19.457 3.001 1387 1HB PHE 87 HB2 PHE 87 -1.040 17.926 3.560 1388 2HB PHE 87 HB1 PHE 87 -0.142 17.339 4.958 1389 HD1 PHE 87 HD1 PHE 87 -0.186 18.514 7.022 1390 HD2 PHE 87 HD2 PHE 87 -1.686 20.384 3.458 1391 HE1 PHE 87 HE1 PHE 87 -1.104 20.374 8.385 1392 HE2 PHE 87 HE2 PHE 87 -2.601 22.244 4.820 1393 HZ PHE 87 HZ PHE 87 -2.311 22.238 7.282 1394 H PHE 88 HN PHE 88 2.018 17.189 5.502 1395 HA PHE 88 HA PHE 88 3.042 19.286 7.186 1396 1HB PHE 88 HB2 PHE 88 2.584 17.071 8.096 1397 2HB PHE 88 HB1 PHE 88 3.776 16.347 7.016 1398 HD1 PHE 88 HD1 PHE 88 6.203 16.883 7.291 1399 HD2 PHE 88 HD2 PHE 88 3.241 18.203 10.107 1400 HE1 PHE 88 HE1 PHE 88 7.986 17.339 8.953 1401 HE2 PHE 88 HE2 PHE 88 5.024 18.659 11.768 1402 HZ PHE 88 HZ PHE 88 7.395 18.227 11.191 1403 H GLU 89 HN GLU 89 4.437 17.415 4.530 1404 HA GLU 89 HA GLU 89 7.088 18.685 4.953 1405 1HB GLU 89 HB2 GLU 89 6.646 16.201 4.236 1406 2HB GLU 89 HB1 GLU 89 6.389 16.881 2.630 1407 1HG GLU 89 HG2 GLU 89 8.665 18.096 3.030 1408 2HG GLU 89 HG1 GLU 89 8.896 16.909 4.312 1409 H HIS 90 HN HIS 90 4.417 19.961 3.880 1410 HA HIS 90 HA HIS 90 4.983 20.743 1.163 1411 1HB HIS 90 HB2 HIS 90 2.738 20.890 2.394 1412 2HB HIS 90 HB1 HIS 90 3.373 22.345 3.161 1413 HD1 HIS 90 HD1 HIS 90 5.004 22.994 0.340 1414 HD2 HIS 90 HD2 HIS 90 0.893 22.601 0.933 1415 HE1 HIS 90 HE1 HIS 90 3.882 24.250 -1.553 1416 HE2 HIS 90 HE2 HIS 90 1.381 24.018 -1.203 1417 H GLU 91 HN GLU 91 7.045 21.629 0.909 1418 HA GLU 91 HA GLU 91 8.050 23.639 2.787 1419 1HB GLU 91 HB2 GLU 91 9.488 21.969 1.507 1420 2HB GLU 91 HB1 GLU 91 9.189 22.948 0.070 1421 1HG GLU 91 HG2 GLU 91 10.102 24.932 1.261 1422 2HG GLU 91 HG1 GLU 91 10.464 23.908 2.651 Start of MODEL 10 1 1H MET 0 HT1 MET 0 -11.908 1.541 11.665 2 2H MET 0 HT2 MET 0 -13.030 0.509 12.416 3 3H MET 0 HT3 MET 0 -11.430 -0.005 12.171 4 HA MET 0 HA MET 0 -12.490 1.903 14.141 5 1HB MET 0 HB2 MET 0 -10.621 -0.473 14.138 6 2HB MET 0 HB1 MET 0 -10.753 0.611 15.523 7 1HG MET 0 HG2 MET 0 -13.152 -0.736 14.261 8 2HG MET 0 HG1 MET 0 -12.256 -1.441 15.606 9 1HE MET 0 HE1 MET 0 -15.495 -0.500 15.560 10 2HE MET 0 HE2 MET 0 -15.483 -0.228 17.301 11 3HE MET 0 HE3 MET 0 -14.566 -1.569 16.620 12 H SER 1 HN SER 1 -10.632 2.295 11.582 13 HA SER 1 HA SER 1 -9.175 4.067 11.104 14 1HB SER 1 HB2 SER 1 -8.182 4.276 13.926 15 2HB SER 1 HB1 SER 1 -8.426 5.538 12.721 16 HG SER 1 HG SER 1 -10.073 4.735 14.654 17 H GLU 2 HN GLU 2 -8.807 1.087 11.808 18 HA GLU 2 HA GLU 2 -6.091 0.611 12.510 19 1HB GLU 2 HB2 GLU 2 -7.992 -0.894 10.702 20 2HB GLU 2 HB1 GLU 2 -6.367 -1.483 11.046 21 1HG GLU 2 HG2 GLU 2 -6.834 -1.565 13.419 22 2HG GLU 2 HG1 GLU 2 -8.394 -0.779 13.182 23 H LEU 3 HN LEU 3 -7.593 1.740 9.573 24 HA LEU 3 HA LEU 3 -5.273 1.450 7.868 25 1HB LEU 3 HB2 LEU 3 -7.967 2.691 7.713 26 2HB LEU 3 HB1 LEU 3 -6.751 3.490 6.727 27 HG LEU 3 HG LEU 3 -8.124 1.596 5.640 28 1HD1 LEU 3 HD11 LEU 3 -6.180 0.824 4.340 29 2HD1 LEU 3 HD12 LEU 3 -5.096 1.476 5.567 30 3HD1 LEU 3 HD13 LEU 3 -6.116 2.561 4.625 31 1HD2 LEU 3 HD21 LEU 3 -7.800 -0.585 6.218 32 2HD2 LEU 3 HD22 LEU 3 -7.463 0.111 7.797 33 3HD2 LEU 3 HD23 LEU 3 -6.136 -0.348 6.733 34 H GLU 4 HN GLU 4 -6.264 3.727 10.286 35 HA GLU 4 HA GLU 4 -4.451 5.843 9.361 36 1HB GLU 4 HB2 GLU 4 -6.385 6.593 10.584 37 2HB GLU 4 HB1 GLU 4 -6.076 5.463 11.897 38 1HG GLU 4 HG2 GLU 4 -4.152 6.666 12.623 39 2HG GLU 4 HG1 GLU 4 -4.108 7.630 11.147 40 H LYS 5 HN LYS 5 -4.458 3.067 11.465 41 HA LYS 5 HA LYS 5 -2.070 3.705 12.955 42 1HB LYS 5 HB2 LYS 5 -3.929 1.510 12.740 43 2HB LYS 5 HB1 LYS 5 -2.319 0.835 12.542 44 1HG LYS 5 HG2 LYS 5 -2.706 0.768 14.867 45 2HG LYS 5 HG1 LYS 5 -1.683 2.180 14.638 46 1HD LYS 5 HD2 LYS 5 -3.470 2.842 16.116 47 2HD LYS 5 HD1 LYS 5 -3.782 3.591 14.554 48 1HE LYS 5 HE2 LYS 5 -5.628 2.248 14.125 49 2HE LYS 5 HE1 LYS 5 -4.999 0.894 15.066 50 1HZ LYS 5 HZ1 LYS 5 -6.855 2.727 15.889 51 2HZ LYS 5 HZ2 LYS 5 -5.431 3.192 16.690 52 3HZ LYS 5 HZ3 LYS 5 -6.032 1.614 16.870 53 H ALA 6 HN ALA 6 -2.690 1.924 9.980 54 HA ALA 6 HA ALA 6 0.042 1.213 9.435 55 1HB ALA 6 HB1 ALA 6 -0.783 0.785 7.125 56 2HB ALA 6 HB2 ALA 6 -2.319 1.528 7.568 57 3HB ALA 6 HB3 ALA 6 -1.802 0.037 8.356 58 H MET 7 HN MET 7 -2.001 3.832 8.126 59 HA MET 7 HA MET 7 -0.145 5.018 6.412 60 1HB MET 7 HB2 MET 7 -2.123 6.386 8.268 61 2HB MET 7 HB1 MET 7 -1.264 7.209 6.970 62 1HG MET 7 HG2 MET 7 -2.446 6.090 5.298 63 2HG MET 7 HG1 MET 7 -2.848 4.728 6.344 64 1HE MET 7 HE1 MET 7 -5.648 5.186 5.321 65 2HE MET 7 HE2 MET 7 -4.568 6.205 4.372 66 3HE MET 7 HE3 MET 7 -6.026 6.896 5.077 67 H VAL 8 HN VAL 8 -0.438 5.411 9.929 68 HA VAL 8 HA VAL 8 1.722 7.342 10.089 69 HB VAL 8 HB VAL 8 0.332 5.615 12.151 70 1HG1 VAL 8 HG11 VAL 8 2.497 5.918 13.081 71 2HG1 VAL 8 HG12 VAL 8 1.522 7.205 13.791 72 3HG1 VAL 8 HG13 VAL 8 2.622 7.565 12.460 73 1HG2 VAL 8 HG21 VAL 8 0.349 8.622 11.761 74 2HG2 VAL 8 HG22 VAL 8 -0.724 7.685 12.800 75 3HG2 VAL 8 HG23 VAL 8 -0.866 7.563 11.047 76 H ALA 9 HN ALA 9 1.493 3.829 10.587 77 HA ALA 9 HA ALA 9 4.180 3.452 11.466 78 1HB ALA 9 HB1 ALA 9 2.531 1.526 9.803 79 2HB ALA 9 HB2 ALA 9 2.359 1.719 11.547 80 3HB ALA 9 HB3 ALA 9 3.873 1.119 10.872 81 H LEU 10 HN LEU 10 2.791 3.695 8.194 82 HA LEU 10 HA LEU 10 5.346 2.989 6.944 83 1HB LEU 10 HB2 LEU 10 2.634 3.834 5.984 84 2HB LEU 10 HB1 LEU 10 3.996 4.046 4.883 85 HG LEU 10 HG LEU 10 4.578 1.673 5.103 86 1HD1 LEU 10 HD11 LEU 10 2.209 1.622 6.994 87 2HD1 LEU 10 HD12 LEU 10 3.885 1.228 7.378 88 3HD1 LEU 10 HD13 LEU 10 2.954 0.175 6.315 89 1HD2 LEU 10 HD21 LEU 10 1.624 2.066 4.559 90 2HD2 LEU 10 HD22 LEU 10 2.617 0.730 3.974 91 3HD2 LEU 10 HD23 LEU 10 2.915 2.370 3.398 92 H ILE 11 HN ILE 11 3.551 6.054 7.423 93 HA ILE 11 HA ILE 11 5.121 7.821 6.028 94 HB ILE 11 HB ILE 11 3.278 7.942 8.243 95 1HG1 ILE 11 HG12 ILE 11 3.084 10.371 7.444 96 2HG1 ILE 11 HG11 ILE 11 4.328 9.962 6.266 97 1HG2 ILE 11 HG21 ILE 11 5.124 8.536 9.735 98 2HG2 ILE 11 HG22 ILE 11 4.109 9.944 9.448 99 3HG2 ILE 11 HG23 ILE 11 5.655 9.794 8.617 100 1HD1 ILE 11 HD11 ILE 11 1.619 8.635 6.575 101 2HD1 ILE 11 HD12 ILE 11 2.877 8.068 5.478 102 3HD1 ILE 11 HD13 ILE 11 2.144 9.652 5.234 103 H ASP 12 HN ASP 12 5.864 6.534 9.257 104 HA ASP 12 HA ASP 12 8.325 7.928 9.589 105 1HB ASP 12 HB2 ASP 12 7.309 5.313 10.714 106 2HB ASP 12 HB1 ASP 12 8.869 5.994 11.175 107 H VAL 13 HN VAL 13 7.727 4.611 8.407 108 HA VAL 13 HA VAL 13 10.520 4.255 7.685 109 HB VAL 13 HB VAL 13 8.109 2.632 6.820 110 1HG1 VAL 13 HG11 VAL 13 9.996 0.821 6.850 111 2HG1 VAL 13 HG12 VAL 13 11.091 2.198 6.731 112 3HG1 VAL 13 HG13 VAL 13 9.889 1.914 5.473 113 1HG2 VAL 13 HG21 VAL 13 9.767 2.655 9.341 114 2HG2 VAL 13 HG22 VAL 13 9.043 1.151 8.777 115 3HG2 VAL 13 HG23 VAL 13 8.016 2.529 9.162 116 H PHE 14 HN PHE 14 7.688 5.477 6.070 117 HA PHE 14 HA PHE 14 8.718 5.123 3.364 118 1HB PHE 14 HB2 PHE 14 6.421 6.559 4.615 119 2HB PHE 14 HB1 PHE 14 6.948 7.176 3.058 120 HD1 PHE 14 HD1 PHE 14 5.190 6.483 1.631 121 HD2 PHE 14 HD2 PHE 14 7.070 3.644 4.251 122 HE1 PHE 14 HE1 PHE 14 3.994 4.638 0.488 123 HE2 PHE 14 HE2 PHE 14 5.874 1.796 3.104 124 HZ PHE 14 HZ PHE 14 4.337 2.293 1.222 125 H HIS 15 HN HIS 15 8.726 7.856 5.653 126 HA HIS 15 HA HIS 15 10.108 9.585 3.776 127 1HB HIS 15 HB2 HIS 15 8.586 10.171 5.857 128 2HB HIS 15 HB1 HIS 15 10.103 10.087 6.746 129 HD1 HIS 15 HD1 HIS 15 10.686 12.504 7.106 130 HD2 HIS 15 HD2 HIS 15 9.579 11.756 3.158 131 HE1 HIS 15 HE1 HIS 15 11.102 14.651 5.824 132 H GLN 16 HN GLN 16 11.132 7.549 6.511 133 HA GLN 16 HA GLN 16 13.845 8.519 6.545 134 1HB GLN 16 HB2 GLN 16 12.649 5.892 7.466 135 2HB GLN 16 HB1 GLN 16 14.319 6.370 7.766 136 1HG GLN 16 HG2 GLN 16 13.651 8.234 9.101 137 2HG GLN 16 HG1 GLN 16 11.972 8.095 8.576 138 1HE2 GLN 16 HE21 GLN 16 10.771 7.346 10.332 139 2HE2 GLN 16 HE22 GLN 16 11.240 6.078 11.361 140 H TYR 17 HN TYR 17 12.258 5.860 4.800 141 HA TYR 17 HA TYR 17 14.823 5.049 3.578 142 1HB TYR 17 HB2 TYR 17 11.990 4.028 3.422 143 2HB TYR 17 HB1 TYR 17 13.234 3.448 2.322 144 HD1 TYR 17 HD1 TYR 17 12.683 4.064 5.981 145 HD2 TYR 17 HD2 TYR 17 14.565 1.632 2.982 146 HE1 TYR 17 HE1 TYR 17 13.546 2.550 7.748 147 HE2 TYR 17 HE2 TYR 17 15.426 0.117 4.747 148 HH TYR 17 HH TYR 17 14.314 -0.204 7.596 149 H SER 18 HN SER 18 11.643 6.078 2.252 150 HA SER 18 HA SER 18 12.618 6.505 -0.374 151 1HB SER 18 HB2 SER 18 10.590 7.603 -0.806 152 2HB SER 18 HB1 SER 18 10.174 6.575 0.563 153 HG SER 18 HG SER 18 10.030 8.288 1.809 154 H GLY 19 HN GLY 19 12.942 8.366 2.534 155 1HA GLY 19 HA2 GLY 19 14.021 10.716 1.051 156 2HA GLY 19 HA1 GLY 19 13.608 10.685 2.764 157 H ARG 20 HN ARG 20 15.239 7.839 2.101 158 HA ARG 20 HA ARG 20 17.563 8.611 3.596 159 1HB ARG 20 HB2 ARG 20 16.714 6.270 3.359 160 2HB ARG 20 HB1 ARG 20 17.266 6.273 1.689 161 1HG ARG 20 HG2 ARG 20 19.581 6.867 2.624 162 2HG ARG 20 HG1 ARG 20 18.926 6.455 4.209 163 1HD ARG 20 HD2 ARG 20 18.327 4.209 3.379 164 2HD ARG 20 HD1 ARG 20 18.986 4.623 1.795 165 HE ARG 20 HE ARG 20 21.153 4.290 2.673 166 1HH1 ARG 20 HH21 ARG 20 18.778 4.625 5.146 167 2HH1 ARG 20 HH22 ARG 20 19.871 4.248 6.435 168 1HH2 ARG 20 HH11 ARG 20 22.598 3.805 4.339 169 2HH2 ARG 20 HH12 ARG 20 22.039 3.789 5.978 170 H GLU 21 HN GLU 21 16.957 8.206 0.126 171 HA GLU 21 HA GLU 21 19.098 10.128 -0.465 172 1HB GLU 21 HB2 GLU 21 19.999 8.263 -2.198 173 2HB GLU 21 HB1 GLU 21 20.645 8.410 -0.565 174 1HG GLU 21 HG2 GLU 21 19.245 6.637 0.246 175 2HG GLU 21 HG1 GLU 21 18.324 6.598 -1.255 176 H GLY 22 HN GLY 22 19.021 10.842 -2.696 177 1HA GLY 22 HA2 GLY 22 18.030 10.809 -4.924 178 2HA GLY 22 HA1 GLY 22 16.647 9.930 -4.270 179 H ASP 23 HN ASP 23 15.369 11.663 -5.339 180 HA ASP 23 HA ASP 23 15.484 14.397 -4.838 181 1HB ASP 23 HB2 ASP 23 13.044 12.610 -5.042 182 2HB ASP 23 HB1 ASP 23 12.971 14.373 -5.071 183 H LYS 24 HN LYS 24 12.998 12.560 -3.069 184 HA LYS 24 HA LYS 24 14.020 12.998 -0.461 185 1HB LYS 24 HB2 LYS 24 13.021 15.396 -1.677 186 2HB LYS 24 HB1 LYS 24 11.850 14.937 -0.453 187 1HG LYS 24 HG2 LYS 24 14.823 15.089 0.118 188 2HG LYS 24 HG1 LYS 24 13.732 16.455 0.339 189 1HD LYS 24 HD2 LYS 24 12.440 15.280 1.980 190 2HD LYS 24 HD1 LYS 24 13.246 13.755 1.618 191 1HE LYS 24 HE2 LYS 24 15.374 14.662 2.449 192 2HE LYS 24 HE1 LYS 24 14.596 16.212 2.775 193 1HZ LYS 24 HZ1 LYS 24 14.368 15.275 4.805 194 2HZ LYS 24 HZ2 LYS 24 14.385 13.684 4.211 195 3HZ LYS 24 HZ3 LYS 24 12.971 14.619 4.099 196 H HIS 25 HN HIS 25 11.669 11.957 -2.630 197 HA HIS 25 HA HIS 25 10.288 10.504 -0.468 198 1HB HIS 25 HB2 HIS 25 8.538 12.016 -2.400 199 2HB HIS 25 HB1 HIS 25 8.122 11.330 -0.832 200 HD2 HIS 25 HD2 HIS 25 9.108 14.711 -2.287 201 HE1 HIS 25 HE1 HIS 25 9.793 15.012 1.870 202 HE2 HIS 25 HE2 HIS 25 9.598 16.320 -0.295 203 H LYS 26 HN LYS 26 11.941 9.423 -2.417 204 HA LYS 26 HA LYS 26 9.963 7.853 -4.013 205 1HB LYS 26 HB2 LYS 26 11.305 9.620 -5.378 206 2HB LYS 26 HB1 LYS 26 12.690 8.571 -5.108 207 1HG LYS 26 HG2 LYS 26 11.708 6.765 -6.293 208 2HG LYS 26 HG1 LYS 26 10.101 7.481 -6.243 209 1HD LYS 26 HD2 LYS 26 12.320 8.967 -7.636 210 2HD LYS 26 HD1 LYS 26 11.538 7.620 -8.456 211 1HE LYS 26 HE2 LYS 26 9.907 9.830 -7.202 212 2HE LYS 26 HE1 LYS 26 10.549 9.977 -8.837 213 1HZ LYS 26 HZ1 LYS 26 9.428 7.940 -9.440 214 2HZ LYS 26 HZ2 LYS 26 8.308 9.056 -8.818 215 3HZ LYS 26 HZ3 LYS 26 8.837 7.756 -7.861 216 H LEU 27 HN LEU 27 10.513 5.659 -4.200 217 HA LEU 27 HA LEU 27 12.388 4.692 -2.146 218 1HB LEU 27 HB2 LEU 27 10.047 3.768 -2.583 219 2HB LEU 27 HB1 LEU 27 10.699 3.052 -4.046 220 HG LEU 27 HG LEU 27 12.005 2.542 -1.359 221 1HD1 LEU 27 HD11 LEU 27 9.542 1.260 -2.527 222 2HD1 LEU 27 HD12 LEU 27 9.834 1.809 -0.877 223 3HD1 LEU 27 HD13 LEU 27 10.617 0.346 -1.466 224 1HD2 LEU 27 HD21 LEU 27 12.500 0.327 -2.600 225 2HD2 LEU 27 HD22 LEU 27 13.350 1.751 -3.165 226 3HD2 LEU 27 HD23 LEU 27 11.962 1.154 -4.058 227 H LYS 28 HN LYS 28 14.411 4.057 -2.576 228 HA LYS 28 HA LYS 28 15.248 3.571 -5.417 229 1HB LYS 28 HB2 LYS 28 16.698 4.578 -2.966 230 2HB LYS 28 HB1 LYS 28 17.596 3.883 -4.315 231 1HG LYS 28 HG2 LYS 28 16.597 5.527 -5.844 232 2HG LYS 28 HG1 LYS 28 15.664 6.212 -4.511 233 1HD LYS 28 HD2 LYS 28 17.585 7.036 -3.422 234 2HD LYS 28 HD1 LYS 28 18.670 5.994 -4.341 235 1HE LYS 28 HE2 LYS 28 18.471 8.534 -4.965 236 2HE LYS 28 HE1 LYS 28 18.552 7.330 -6.248 237 1HZ LYS 28 HZ1 LYS 28 16.736 9.046 -6.441 238 2HZ LYS 28 HZ2 LYS 28 15.982 8.277 -5.126 239 3HZ LYS 28 HZ3 LYS 28 16.246 7.428 -6.575 240 H LYS 29 HN LYS 29 16.506 1.646 -5.835 241 HA LYS 29 HA LYS 29 15.808 -0.737 -4.590 242 1HB LYS 29 HB2 LYS 29 18.477 -0.005 -5.832 243 2HB LYS 29 HB1 LYS 29 18.035 -1.647 -5.369 244 1HG LYS 29 HG2 LYS 29 15.868 -1.099 -6.863 245 2HG LYS 29 HG1 LYS 29 16.980 0.047 -7.614 246 1HD LYS 29 HD2 LYS 29 18.619 -1.984 -7.736 247 2HD LYS 29 HD1 LYS 29 17.173 -2.961 -7.473 248 1HE LYS 29 HE2 LYS 29 17.607 -2.706 -9.881 249 2HE LYS 29 HE1 LYS 29 16.105 -1.894 -9.437 250 1HZ LYS 29 HZ1 LYS 29 17.064 0.174 -9.619 251 2HZ LYS 29 HZ2 LYS 29 17.822 -0.663 -10.888 252 3HZ LYS 29 HZ3 LYS 29 18.645 -0.408 -9.423 253 H SER 30 HN SER 30 18.627 1.280 -3.751 254 HA SER 30 HA SER 30 19.711 -0.241 -1.673 255 1HB SER 30 HB2 SER 30 19.347 2.752 -1.443 256 2HB SER 30 HB1 SER 30 20.662 1.768 -0.809 257 HG SER 30 HG SER 30 20.488 2.961 -3.166 258 H GLU 31 HN GLU 31 16.580 1.044 -1.842 259 HA GLU 31 HA GLU 31 16.204 1.005 1.127 260 1HB GLU 31 HB2 GLU 31 14.233 1.799 -1.027 261 2HB GLU 31 HB1 GLU 31 14.057 2.037 0.703 262 1HG GLU 31 HG2 GLU 31 16.031 3.516 0.709 263 2HG GLU 31 HG1 GLU 31 16.200 3.293 -1.034 264 H LEU 32 HN LEU 32 14.945 -0.469 -1.850 265 HA LEU 32 HA LEU 32 13.099 -2.176 -0.511 266 1HB LEU 32 HB2 LEU 32 13.790 -1.636 -3.166 267 2HB LEU 32 HB1 LEU 32 14.251 -3.316 -2.975 268 HG LEU 32 HG LEU 32 11.514 -2.272 -2.181 269 1HD1 LEU 32 HD11 LEU 32 10.651 -2.971 -4.283 270 2HD1 LEU 32 HD12 LEU 32 12.152 -3.779 -4.722 271 3HD1 LEU 32 HD13 LEU 32 12.082 -2.018 -4.674 272 1HD2 LEU 32 HD21 LEU 32 12.693 -5.029 -2.635 273 2HD2 LEU 32 HD22 LEU 32 10.967 -4.727 -2.436 274 3HD2 LEU 32 HD23 LEU 32 12.081 -4.366 -1.120 275 H LYS 33 HN LYS 33 16.414 -2.848 -1.667 276 HA LYS 33 HA LYS 33 16.543 -5.469 -0.508 277 1HB LYS 33 HB2 LYS 33 18.018 -4.400 -2.306 278 2HB LYS 33 HB1 LYS 33 18.829 -3.551 -0.992 279 1HG LYS 33 HG2 LYS 33 19.125 -5.932 0.048 280 2HG LYS 33 HG1 LYS 33 18.776 -6.509 -1.583 281 1HD LYS 33 HD2 LYS 33 21.081 -6.283 -1.757 282 2HD LYS 33 HD1 LYS 33 20.585 -4.666 -2.259 283 1HE LYS 33 HE2 LYS 33 20.933 -3.828 0.022 284 2HE LYS 33 HE1 LYS 33 21.371 -5.446 0.568 285 1HZ LYS 33 HZ1 LYS 33 22.966 -4.981 -1.608 286 2HZ LYS 33 HZ2 LYS 33 23.442 -4.925 0.022 287 3HZ LYS 33 HZ3 LYS 33 22.964 -3.503 -0.777 288 H GLU 34 HN GLU 34 17.363 -2.238 0.664 289 HA GLU 34 HA GLU 34 18.484 -3.260 3.170 290 1HB GLU 34 HB2 GLU 34 19.162 -1.068 2.157 291 2HB GLU 34 HB1 GLU 34 17.566 -0.436 2.569 292 1HG GLU 34 HG2 GLU 34 19.014 0.223 4.353 293 2HG GLU 34 HG1 GLU 34 18.074 -1.128 4.981 294 H LEU 35 HN LEU 35 15.360 -2.051 2.113 295 HA LEU 35 HA LEU 35 14.247 -1.930 4.784 296 1HB LEU 35 HB2 LEU 35 13.288 -0.608 2.939 297 2HB LEU 35 HB1 LEU 35 12.901 -2.093 2.068 298 HG LEU 35 HG LEU 35 11.352 -2.780 3.819 299 1HD1 LEU 35 HD11 LEU 35 12.465 -0.358 5.228 300 2HD1 LEU 35 HD12 LEU 35 12.207 -1.986 5.856 301 3HD1 LEU 35 HD13 LEU 35 10.834 -0.921 5.589 302 1HD2 LEU 35 HD21 LEU 35 10.366 -1.427 2.107 303 2HD2 LEU 35 HD22 LEU 35 11.032 0.052 2.803 304 3HD2 LEU 35 HD23 LEU 35 9.742 -0.813 3.640 305 H ILE 36 HN ILE 36 14.488 -4.349 2.249 306 HA ILE 36 HA ILE 36 12.639 -6.232 3.389 307 HB ILE 36 HB ILE 36 14.917 -6.437 1.418 308 1HG1 ILE 36 HG12 ILE 36 11.979 -7.086 1.093 309 2HG1 ILE 36 HG11 ILE 36 12.622 -5.462 0.858 310 1HG2 ILE 36 HG21 ILE 36 15.062 -8.581 2.408 311 2HG2 ILE 36 HG22 ILE 36 13.987 -8.826 1.030 312 3HG2 ILE 36 HG23 ILE 36 13.319 -8.679 2.657 313 1HD1 ILE 36 HD11 ILE 36 13.793 -7.851 -0.574 314 2HD1 ILE 36 HD12 ILE 36 13.971 -6.142 -0.974 315 3HD1 ILE 36 HD13 ILE 36 12.427 -6.953 -1.234 316 H ASN 37 HN ASN 37 16.062 -5.614 3.754 317 HA ASN 37 HA ASN 37 16.538 -7.891 5.509 318 1HB ASN 37 HB2 ASN 37 18.345 -7.004 4.139 319 2HB ASN 37 HB1 ASN 37 18.188 -5.423 4.901 320 1HD2 ASN 37 HD21 ASN 37 17.899 -8.444 6.742 321 2HD2 ASN 37 HD22 ASN 37 19.337 -8.243 7.622 322 H ASN 38 HN ASN 38 15.459 -4.595 6.022 323 HA ASN 38 HA ASN 38 16.230 -4.679 8.882 324 1HB ASN 38 HB2 ASN 38 16.417 -2.632 7.340 325 2HB ASN 38 HB1 ASN 38 14.671 -2.478 7.535 326 1HD2 ASN 38 HD21 ASN 38 17.619 -1.539 8.897 327 2HD2 ASN 38 HD22 ASN 38 17.060 -1.115 10.442 328 H GLU 39 HN GLU 39 13.136 -4.472 7.048 329 HA GLU 39 HA GLU 39 11.715 -5.151 9.633 330 1HB GLU 39 HB2 GLU 39 10.695 -3.563 7.258 331 2HB GLU 39 HB1 GLU 39 9.791 -3.924 8.731 332 1HG GLU 39 HG2 GLU 39 11.530 -2.735 10.058 333 2HG GLU 39 HG1 GLU 39 12.354 -2.311 8.558 334 H LEU 40 HN LEU 40 11.410 -5.456 6.077 335 HA LEU 40 HA LEU 40 9.569 -7.722 6.403 336 1HB LEU 40 HB2 LEU 40 10.727 -7.433 3.713 337 2HB LEU 40 HB1 LEU 40 9.044 -7.387 4.210 338 HG LEU 40 HG LEU 40 10.973 -5.053 4.470 339 1HD1 LEU 40 HD11 LEU 40 8.914 -5.784 2.396 340 2HD1 LEU 40 HD12 LEU 40 10.613 -5.374 2.156 341 3HD1 LEU 40 HD13 LEU 40 9.464 -4.124 2.631 342 1HD2 LEU 40 HD21 LEU 40 7.961 -4.911 4.596 343 2HD2 LEU 40 HD22 LEU 40 9.153 -3.776 5.235 344 3HD2 LEU 40 HD23 LEU 40 8.878 -5.317 6.046 345 H SER 41 HN SER 41 12.430 -7.695 7.443 346 HA SER 41 HA SER 41 13.741 -9.807 5.899 347 1HB SER 41 HB2 SER 41 15.565 -9.278 7.185 348 2HB SER 41 HB1 SER 41 14.606 -7.902 7.717 349 HG SER 41 HG SER 41 14.885 -8.813 9.603 350 H HIS 42 HN HIS 42 11.341 -9.580 8.348 351 HA HIS 42 HA HIS 42 11.781 -12.332 9.350 352 1HB HIS 42 HB2 HIS 42 9.769 -10.160 9.990 353 2HB HIS 42 HB1 HIS 42 9.636 -11.793 10.641 354 HD1 HIS 42 HD1 HIS 42 13.004 -10.196 10.166 355 HD2 HIS 42 HD2 HIS 42 10.327 -10.954 13.276 356 HE1 HIS 42 HE1 HIS 42 14.253 -9.726 12.322 357 HE2 HIS 42 HE2 HIS 42 12.632 -10.183 14.219 358 H PHE 43 HN PHE 43 9.906 -10.575 7.025 359 HA PHE 43 HA PHE 43 8.126 -12.929 6.536 360 1HB PHE 43 HB2 PHE 43 8.018 -10.010 5.730 361 2HB PHE 43 HB1 PHE 43 7.024 -11.225 4.926 362 HD1 PHE 43 HD1 PHE 43 7.289 -9.052 7.761 363 HD2 PHE 43 HD2 PHE 43 5.576 -12.759 6.436 364 HE1 PHE 43 HE1 PHE 43 5.657 -8.961 9.617 365 HE2 PHE 43 HE2 PHE 43 3.938 -12.665 8.294 366 HZ PHE 43 HZ PHE 43 3.979 -10.766 9.887 367 H LEU 44 HN LEU 44 10.088 -10.535 4.708 368 HA LEU 44 HA LEU 44 10.369 -12.502 2.519 369 1HB LEU 44 HB2 LEU 44 10.979 -9.578 2.823 370 2HB LEU 44 HB1 LEU 44 11.818 -10.489 1.576 371 HG LEU 44 HG LEU 44 9.726 -9.381 0.767 372 1HD1 LEU 44 HD11 LEU 44 9.214 -11.098 -0.680 373 2HD1 LEU 44 HD12 LEU 44 9.119 -12.311 0.593 374 3HD1 LEU 44 HD13 LEU 44 10.691 -11.773 0.001 375 1HD2 LEU 44 HD21 LEU 44 7.573 -10.138 1.532 376 2HD2 LEU 44 HD22 LEU 44 8.511 -9.702 2.959 377 3HD2 LEU 44 HD23 LEU 44 8.303 -11.398 2.524 378 H GLU 45 HN GLU 45 12.208 -13.735 2.289 379 HA GLU 45 HA GLU 45 14.136 -13.895 4.371 380 1HB GLU 45 HB2 GLU 45 13.661 -15.664 2.617 381 2HB GLU 45 HB1 GLU 45 14.596 -14.690 1.482 382 1HG GLU 45 HG2 GLU 45 16.526 -14.784 3.081 383 2HG GLU 45 HG1 GLU 45 15.589 -15.899 4.077 384 H GLU 46 HN GLU 46 16.331 -13.112 4.445 385 HA GLU 46 HA GLU 46 16.666 -10.449 3.395 386 1HB GLU 46 HB2 GLU 46 17.758 -11.396 5.494 387 2HB GLU 46 HB1 GLU 46 18.875 -12.247 4.426 388 1HG GLU 46 HG2 GLU 46 19.347 -9.968 3.353 389 2HG GLU 46 HG1 GLU 46 18.509 -9.264 4.735 390 H ILE 47 HN ILE 47 16.644 -10.383 1.146 391 HA ILE 47 HA ILE 47 17.934 -12.327 -0.514 392 HB ILE 47 HB ILE 47 17.644 -10.678 -2.337 393 1HG1 ILE 47 HG12 ILE 47 16.608 -8.805 -0.188 394 2HG1 ILE 47 HG11 ILE 47 18.199 -8.655 -0.929 395 1HG2 ILE 47 HG21 ILE 47 15.723 -12.050 -1.612 396 2HG2 ILE 47 HG22 ILE 47 15.197 -10.457 -2.164 397 3HG2 ILE 47 HG23 ILE 47 15.285 -10.810 -0.438 398 1HD1 ILE 47 HD11 ILE 47 17.135 -8.482 -3.161 399 2HD1 ILE 47 HD12 ILE 47 16.605 -7.192 -2.083 400 3HD1 ILE 47 HD13 ILE 47 15.549 -8.568 -2.394 401 H LYS 48 HN LYS 48 19.987 -12.373 -1.392 402 HA LYS 48 HA LYS 48 21.971 -10.436 -0.249 403 1HB LYS 48 HB2 LYS 48 22.443 -13.177 -1.475 404 2HB LYS 48 HB1 LYS 48 23.642 -12.171 -0.663 405 1HG LYS 48 HG2 LYS 48 22.606 -12.446 1.455 406 2HG LYS 48 HG1 LYS 48 21.119 -13.067 0.739 407 1HD LYS 48 HD2 LYS 48 22.138 -15.134 0.149 408 2HD LYS 48 HD1 LYS 48 23.761 -14.501 0.426 409 1HE LYS 48 HE2 LYS 48 21.673 -14.776 2.605 410 2HE LYS 48 HE1 LYS 48 22.906 -15.992 2.274 411 1HZ LYS 48 HZ1 LYS 48 23.818 -14.661 3.932 412 2HZ LYS 48 HZ2 LYS 48 23.268 -13.218 3.222 413 3HZ LYS 48 HZ3 LYS 48 24.543 -14.086 2.512 414 H GLU 49 HN GLU 49 20.368 -11.431 -3.073 415 HA GLU 49 HA GLU 49 22.294 -9.914 -4.810 416 1HB GLU 49 HB2 GLU 49 20.565 -12.318 -5.476 417 2HB GLU 49 HB1 GLU 49 21.436 -11.363 -6.677 418 1HG GLU 49 HG2 GLU 49 23.566 -11.904 -5.626 419 2HG GLU 49 HG1 GLU 49 22.739 -12.762 -4.325 420 H GLN 50 HN GLN 50 21.389 -8.264 -5.997 421 HA GLN 50 HA GLN 50 18.707 -7.395 -5.365 422 1HB GLN 50 HB2 GLN 50 20.621 -6.484 -7.537 423 2HB GLN 50 HB1 GLN 50 19.138 -5.645 -7.080 424 1HG GLN 50 HG2 GLN 50 20.081 -5.567 -4.703 425 2HG GLN 50 HG1 GLN 50 21.619 -6.071 -5.406 426 1HE2 GLN 50 HE21 GLN 50 21.150 -4.555 -7.942 427 2HE2 GLN 50 HE22 GLN 50 21.367 -2.918 -7.548 428 H GLU 51 HN GLU 51 19.991 -9.559 -7.717 429 HA GLU 51 HA GLU 51 18.369 -9.259 -9.912 430 1HB GLU 51 HB2 GLU 51 19.321 -11.780 -8.560 431 2HB GLU 51 HB1 GLU 51 18.464 -11.803 -10.100 432 1HG GLU 51 HG2 GLU 51 20.179 -10.263 -11.044 433 2HG GLU 51 HG1 GLU 51 21.061 -10.351 -9.521 434 H VAL 52 HN VAL 52 17.394 -10.644 -6.807 435 HA VAL 52 HA VAL 52 14.769 -11.368 -7.882 436 HB VAL 52 HB VAL 52 14.242 -11.574 -5.340 437 1HG1 VAL 52 HG11 VAL 52 16.423 -13.264 -6.607 438 2HG1 VAL 52 HG12 VAL 52 14.687 -13.506 -6.801 439 3HG1 VAL 52 HG13 VAL 52 15.438 -13.739 -5.223 440 1HG2 VAL 52 HG21 VAL 52 16.162 -11.700 -3.876 441 2HG2 VAL 52 HG22 VAL 52 16.219 -10.138 -4.690 442 3HG2 VAL 52 HG23 VAL 52 17.271 -11.451 -5.218 443 H VAL 53 HN VAL 53 16.217 -8.724 -6.066 444 HA VAL 53 HA VAL 53 13.734 -7.352 -5.657 445 HB VAL 53 HB VAL 53 16.395 -6.986 -4.870 446 1HG1 VAL 53 HG11 VAL 53 15.614 -4.532 -6.471 447 2HG1 VAL 53 HG12 VAL 53 16.775 -5.725 -7.044 448 3HG1 VAL 53 HG13 VAL 53 17.113 -4.800 -5.585 449 1HG2 VAL 53 HG21 VAL 53 15.565 -5.126 -3.559 450 2HG2 VAL 53 HG22 VAL 53 14.333 -6.387 -3.617 451 3HG2 VAL 53 HG23 VAL 53 14.173 -4.950 -4.627 452 H ASP 54 HN ASP 54 15.826 -7.857 -8.336 453 HA ASP 54 HA ASP 54 14.785 -5.623 -9.922 454 1HB ASP 54 HB2 ASP 54 16.382 -8.094 -10.669 455 2HB ASP 54 HB1 ASP 54 15.934 -6.830 -11.815 456 H LYS 55 HN LYS 55 14.146 -9.064 -9.473 457 HA LYS 55 HA LYS 55 12.179 -9.188 -11.620 458 1HB LYS 55 HB2 LYS 55 12.731 -11.380 -11.293 459 2HB LYS 55 HB1 LYS 55 13.418 -11.030 -9.721 460 1HG LYS 55 HG2 LYS 55 11.642 -12.651 -9.457 461 2HG LYS 55 HG1 LYS 55 11.105 -11.148 -8.734 462 1HD LYS 55 HD2 LYS 55 10.090 -10.730 -11.169 463 2HD LYS 55 HD1 LYS 55 10.195 -12.480 -11.270 464 1HE LYS 55 HE2 LYS 55 8.591 -10.810 -9.340 465 2HE LYS 55 HE1 LYS 55 8.032 -12.097 -10.408 466 1HZ LYS 55 HZ1 LYS 55 8.209 -13.374 -8.605 467 2HZ LYS 55 HZ2 LYS 55 9.192 -12.262 -7.779 468 3HZ LYS 55 HZ3 LYS 55 9.880 -13.344 -8.894 469 H VAL 56 HN VAL 56 11.892 -9.123 -8.024 470 HA VAL 56 HA VAL 56 9.075 -8.959 -7.940 471 HB VAL 56 HB VAL 56 10.858 -9.123 -6.024 472 1HG1 VAL 56 HG11 VAL 56 10.310 -6.155 -5.852 473 2HG1 VAL 56 HG12 VAL 56 11.750 -6.792 -6.636 474 3HG1 VAL 56 HG13 VAL 56 11.471 -7.111 -4.929 475 1HG2 VAL 56 HG21 VAL 56 8.498 -9.311 -5.564 476 2HG2 VAL 56 HG22 VAL 56 8.265 -7.576 -5.780 477 3HG2 VAL 56 HG23 VAL 56 9.177 -8.178 -4.394 478 H MET 57 HN MET 57 11.508 -6.450 -8.420 479 HA MET 57 HA MET 57 9.669 -4.238 -8.485 480 1HB MET 57 HB2 MET 57 12.418 -4.680 -9.677 481 2HB MET 57 HB1 MET 57 11.556 -3.147 -9.823 482 1HG MET 57 HG2 MET 57 11.855 -4.388 -7.098 483 2HG MET 57 HG1 MET 57 13.228 -3.542 -7.807 484 1HE MET 57 HE1 MET 57 13.521 -1.170 -6.662 485 2HE MET 57 HE2 MET 57 12.599 0.016 -7.591 486 3HE MET 57 HE3 MET 57 13.414 -1.304 -8.425 487 H GLU 58 HN GLU 58 10.700 -6.620 -10.847 488 HA GLU 58 HA GLU 58 9.696 -5.315 -13.194 489 1HB GLU 58 HB2 GLU 58 11.203 -7.410 -13.031 490 2HB GLU 58 HB1 GLU 58 9.706 -8.309 -12.781 491 1HG GLU 58 HG2 GLU 58 8.820 -7.493 -14.907 492 2HG GLU 58 HG1 GLU 58 10.256 -6.499 -15.150 493 H THR 59 HN THR 59 8.215 -7.457 -10.806 494 HA THR 59 HA THR 59 5.671 -7.544 -12.235 495 HB THR 59 HB THR 59 6.375 -8.335 -9.397 496 HG1 THR 59 HG1 THR 59 7.405 -9.601 -10.936 497 1HG2 THR 59 HG21 THR 59 4.217 -9.666 -9.657 498 2HG2 THR 59 HG22 THR 59 3.891 -8.681 -11.081 499 3HG2 THR 59 HG23 THR 59 4.017 -7.921 -9.495 500 H LEU 60 HN LEU 60 7.123 -5.616 -9.670 501 HA LEU 60 HA LEU 60 4.518 -4.305 -9.121 502 1HB LEU 60 HB2 LEU 60 7.227 -4.292 -7.852 503 2HB LEU 60 HB1 LEU 60 6.215 -2.872 -7.605 504 HG LEU 60 HG LEU 60 5.938 -4.541 -5.819 505 1HD1 LEU 60 HD11 LEU 60 3.960 -3.089 -6.975 506 2HD1 LEU 60 HD12 LEU 60 3.689 -4.137 -5.589 507 3HD1 LEU 60 HD13 LEU 60 3.296 -4.707 -7.207 508 1HD2 LEU 60 HD21 LEU 60 4.986 -6.718 -6.246 509 2HD2 LEU 60 HD22 LEU 60 6.377 -6.520 -7.313 510 3HD2 LEU 60 HD23 LEU 60 4.744 -6.325 -7.949 511 H ASP 61 HN ASP 61 7.715 -3.347 -10.516 512 HA ASP 61 HA ASP 61 7.097 -0.625 -10.861 513 1HB ASP 61 HB2 ASP 61 8.723 -2.393 -12.680 514 2HB ASP 61 HB1 ASP 61 8.768 -0.631 -12.625 515 H GLU 62 HN GLU 62 5.287 0.079 -11.695 516 HA GLU 62 HA GLU 62 4.012 -1.279 -13.986 517 1HB GLU 62 HB2 GLU 62 3.248 1.066 -12.239 518 2HB GLU 62 HB1 GLU 62 2.362 0.705 -13.721 519 1HG GLU 62 HG2 GLU 62 2.854 -1.410 -11.617 520 2HG GLU 62 HG1 GLU 62 1.460 -0.330 -11.537 521 H ASP 63 HN ASP 63 5.559 1.803 -13.220 522 HA ASP 63 HA ASP 63 5.406 2.711 -16.000 523 1HB ASP 63 HB2 ASP 63 6.931 4.535 -15.159 524 2HB ASP 63 HB1 ASP 63 5.428 4.403 -14.244 525 H GLY 64 HN GLY 64 7.157 0.375 -14.400 526 1HA GLY 64 HA2 GLY 64 9.175 -0.734 -14.911 527 2HA GLY 64 HA1 GLY 64 8.949 -0.118 -16.551 528 H ASP 65 HN ASP 65 9.382 1.668 -13.523 529 HA ASP 65 HA ASP 65 11.559 3.232 -14.820 530 1HB ASP 65 HB2 ASP 65 11.286 4.698 -12.802 531 2HB ASP 65 HB1 ASP 65 9.804 4.521 -13.744 532 H GLY 66 HN GLY 66 11.289 0.522 -12.844 533 1HA GLY 66 HA2 GLY 66 12.999 -0.653 -11.694 534 2HA GLY 66 HA1 GLY 66 14.137 0.592 -12.223 535 H GLU 67 HN GLU 67 11.632 2.236 -10.996 536 HA GLU 67 HA GLU 67 12.695 2.280 -8.187 537 1HB GLU 67 HB2 GLU 67 11.817 4.558 -9.988 538 2HB GLU 67 HB1 GLU 67 11.964 4.729 -8.240 539 1HG GLU 67 HG2 GLU 67 14.338 3.995 -8.393 540 2HG GLU 67 HG1 GLU 67 14.181 3.934 -10.149 541 H CYS 68 HN CYS 68 10.975 2.918 -6.609 542 HA CYS 68 HA CYS 68 8.217 2.269 -7.631 543 1HB CYS 68 HB2 CYS 68 9.646 1.302 -5.156 544 2HB CYS 68 HB1 CYS 68 7.894 1.236 -5.317 545 HG CYS 68 HG CYS 68 8.983 -1.013 -6.224 546 H ASP 69 HN ASP 69 7.476 4.394 -7.678 547 HA ASP 69 HA ASP 69 7.897 6.415 -5.777 548 1HB ASP 69 HB2 ASP 69 5.159 6.078 -6.985 549 2HB ASP 69 HB1 ASP 69 6.112 7.547 -6.771 550 H PHE 70 HN PHE 70 5.528 7.147 -4.505 551 HA PHE 70 HA PHE 70 5.496 5.225 -2.324 552 1HB PHE 70 HB2 PHE 70 3.574 6.982 -1.606 553 2HB PHE 70 HB1 PHE 70 5.288 7.314 -1.408 554 HD1 PHE 70 HD1 PHE 70 2.571 7.626 -3.997 555 HD2 PHE 70 HD2 PHE 70 6.180 9.262 -2.342 556 HE1 PHE 70 HE1 PHE 70 2.395 9.562 -5.530 557 HE2 PHE 70 HE2 PHE 70 6.001 11.201 -3.875 558 HZ PHE 70 HZ PHE 70 4.108 11.352 -5.469 559 H GLN 71 HN GLN 71 3.248 5.987 -4.946 560 HA GLN 71 HA GLN 71 1.048 4.548 -3.742 561 1HB GLN 71 HB2 GLN 71 -0.026 4.827 -5.983 562 2HB GLN 71 HB1 GLN 71 0.609 6.333 -5.349 563 1HG GLN 71 HG2 GLN 71 1.347 6.359 -7.570 564 2HG GLN 71 HG1 GLN 71 2.754 5.757 -6.696 565 1HE2 GLN 71 HE21 GLN 71 0.342 3.330 -6.764 566 2HE2 GLN 71 HE22 GLN 71 0.920 2.462 -8.099 567 H GLU 72 HN GLU 72 3.673 3.748 -5.939 568 HA GLU 72 HA GLU 72 2.591 1.062 -6.474 569 1HB GLU 72 HB2 GLU 72 3.739 2.244 -8.264 570 2HB GLU 72 HB1 GLU 72 5.154 2.489 -7.250 571 1HG GLU 72 HG2 GLU 72 5.371 -0.063 -7.152 572 2HG GLU 72 HG1 GLU 72 4.142 -0.120 -8.416 573 H PHE 73 HN PHE 73 5.212 2.604 -4.651 574 HA PHE 73 HA PHE 73 6.515 0.295 -3.723 575 1HB PHE 73 HB2 PHE 73 7.507 2.429 -3.276 576 2HB PHE 73 HB1 PHE 73 6.057 2.994 -2.463 577 HD1 PHE 73 HD1 PHE 73 7.194 3.684 -0.479 578 HD2 PHE 73 HD2 PHE 73 7.466 -0.398 -1.810 579 HE1 PHE 73 HE1 PHE 73 8.163 3.030 1.701 580 HE2 PHE 73 HE2 PHE 73 8.424 -1.040 0.374 581 HZ PHE 73 HZ PHE 73 8.784 0.677 2.122 582 H MET 74 HN MET 74 3.614 1.889 -2.465 583 HA MET 74 HA MET 74 3.361 0.180 -0.179 584 1HB MET 74 HB2 MET 74 1.960 2.332 -1.205 585 2HB MET 74 HB1 MET 74 0.824 1.024 -1.491 586 1HG MET 74 HG2 MET 74 1.132 0.356 0.934 587 2HG MET 74 HG1 MET 74 2.039 1.852 1.157 588 1HE MET 74 HE1 MET 74 -0.884 3.386 2.790 589 2HE MET 74 HE2 MET 74 0.854 3.180 2.658 590 3HE MET 74 HE3 MET 74 -0.157 1.805 3.096 591 H ALA 75 HN ALA 75 2.159 0.037 -3.474 592 HA ALA 75 HA ALA 75 0.644 -2.328 -3.333 593 1HB ALA 75 HB1 ALA 75 2.539 -1.820 -5.623 594 2HB ALA 75 HB2 ALA 75 1.092 -0.845 -5.378 595 3HB ALA 75 HB3 ALA 75 0.952 -2.575 -5.667 596 H PHE 76 HN PHE 76 4.074 -1.988 -3.001 597 HA PHE 76 HA PHE 76 4.647 -4.811 -3.525 598 1HB PHE 76 HB2 PHE 76 6.512 -3.353 -3.829 599 2HB PHE 76 HB1 PHE 76 6.263 -2.591 -2.268 600 HD1 PHE 76 HD1 PHE 76 8.087 -3.052 -0.885 601 HD2 PHE 76 HD2 PHE 76 6.460 -6.207 -3.311 602 HE1 PHE 76 HE1 PHE 76 9.657 -4.659 0.149 603 HE2 PHE 76 HE2 PHE 76 8.029 -7.814 -2.267 604 HZ PHE 76 HZ PHE 76 9.628 -7.041 -0.536 605 H VAL 77 HN VAL 77 4.348 -2.831 -0.575 606 HA VAL 77 HA VAL 77 4.686 -4.949 1.283 607 HB VAL 77 HB VAL 77 2.779 -2.613 1.605 608 1HG1 VAL 77 HG11 VAL 77 3.109 -2.936 3.958 609 2HG1 VAL 77 HG12 VAL 77 4.430 -4.066 3.675 610 3HG1 VAL 77 HG13 VAL 77 2.785 -4.537 3.293 611 1HG2 VAL 77 HG21 VAL 77 5.697 -2.692 2.395 612 2HG2 VAL 77 HG22 VAL 77 4.610 -1.304 2.396 613 3HG2 VAL 77 HG23 VAL 77 5.151 -1.997 0.869 614 H SER 78 HN SER 78 1.800 -3.873 -0.499 615 HA SER 78 HA SER 78 -0.006 -5.613 0.886 616 1HB SER 78 HB2 SER 78 -1.357 -4.185 -0.244 617 2HB SER 78 HB1 SER 78 -0.124 -3.850 -1.458 618 HG SER 78 HG SER 78 -2.058 -5.890 -1.344 619 H MET 79 HN MET 79 2.135 -6.058 -1.850 620 HA MET 79 HA MET 79 0.981 -8.589 -2.634 621 1HB MET 79 HB2 MET 79 2.414 -7.176 -4.157 622 2HB MET 79 HB1 MET 79 3.798 -7.578 -3.142 623 1HG MET 79 HG2 MET 79 3.879 -9.776 -3.886 624 2HG MET 79 HG1 MET 79 2.145 -9.856 -4.189 625 1HE MET 79 HE1 MET 79 4.966 -10.584 -5.850 626 2HE MET 79 HE2 MET 79 5.662 -8.982 -5.618 627 3HE MET 79 HE3 MET 79 5.268 -9.535 -7.244 628 H VAL 80 HN VAL 80 3.173 -7.437 -0.275 629 HA VAL 80 HA VAL 80 4.204 -10.097 0.430 630 HB VAL 80 HB VAL 80 4.551 -7.342 1.665 631 1HG1 VAL 80 HG11 VAL 80 5.494 -10.064 2.562 632 2HG1 VAL 80 HG12 VAL 80 4.748 -8.782 3.513 633 3HG1 VAL 80 HG13 VAL 80 6.415 -8.612 2.963 634 1HG2 VAL 80 HG21 VAL 80 5.855 -7.409 -0.297 635 2HG2 VAL 80 HG22 VAL 80 6.254 -9.114 -0.090 636 3HG2 VAL 80 HG23 VAL 80 6.997 -7.901 0.953 637 H THR 81 HN THR 81 1.898 -7.646 1.518 638 HA THR 81 HA THR 81 1.224 -9.085 3.938 639 HB THR 81 HB THR 81 0.717 -6.538 2.992 640 HG1 THR 81 HG1 THR 81 0.449 -6.499 5.046 641 1HG2 THR 81 HG21 THR 81 -1.178 -7.479 1.594 642 2HG2 THR 81 HG22 THR 81 -1.653 -6.225 2.738 643 3HG2 THR 81 HG23 THR 81 -1.973 -7.920 3.103 644 H THR 82 HN THR 82 0.064 -9.040 0.575 645 HA THR 82 HA THR 82 -2.303 -10.566 1.026 646 HB THR 82 HB THR 82 -1.967 -11.209 -1.417 647 HG1 THR 82 HG1 THR 82 -0.213 -10.514 -2.403 648 1HG2 THR 82 HG21 THR 82 -3.340 -9.364 -1.272 649 2HG2 THR 82 HG22 THR 82 -1.946 -8.580 -2.017 650 3HG2 THR 82 HG23 THR 82 -2.209 -8.451 -0.275 651 H ALA 83 HN ALA 83 1.090 -11.616 0.424 652 HA ALA 83 HA ALA 83 0.446 -14.394 0.172 653 1HB ALA 83 HB1 ALA 83 2.975 -12.973 1.067 654 2HB ALA 83 HB2 ALA 83 2.617 -13.576 -0.551 655 3HB ALA 83 HB3 ALA 83 2.876 -14.711 0.775 656 H CYS 84 HN CYS 84 1.426 -12.361 2.936 657 HA CYS 84 HA CYS 84 1.416 -14.467 4.881 658 1HB CYS 84 HB2 CYS 84 2.314 -12.114 5.211 659 2HB CYS 84 HB1 CYS 84 0.642 -11.579 5.384 660 HG CYS 84 HG CYS 84 0.559 -12.554 7.669 661 H HIS 85 HN HIS 85 -1.101 -12.986 3.134 662 HA HIS 85 HA HIS 85 -3.189 -13.776 5.111 663 1HB HIS 85 HB2 HIS 85 -3.585 -11.588 4.330 664 2HB HIS 85 HB1 HIS 85 -3.113 -11.988 2.685 665 HD1 HIS 85 HD1 HIS 85 -5.279 -11.336 1.537 666 HD2 HIS 85 HD2 HIS 85 -5.879 -14.047 4.646 667 HE1 HIS 85 HE1 HIS 85 -7.688 -12.087 1.370 668 H GLU 86 HN GLU 86 -2.020 -14.467 1.832 669 HA GLU 86 HA GLU 86 -4.185 -16.240 1.139 670 1HB GLU 86 HB2 GLU 86 -2.717 -15.246 -0.574 671 2HB GLU 86 HB1 GLU 86 -1.347 -16.145 0.075 672 1HG GLU 86 HG2 GLU 86 -2.388 -18.259 -0.490 673 2HG GLU 86 HG1 GLU 86 -3.879 -17.444 -0.964 674 H PHE 87 HN PHE 87 -0.911 -16.816 2.407 675 HA PHE 87 HA PHE 87 -1.181 -19.674 2.552 676 1HB PHE 87 HB2 PHE 87 0.624 -17.666 3.905 677 2HB PHE 87 HB1 PHE 87 0.695 -19.375 4.336 678 HD1 PHE 87 HD1 PHE 87 0.519 -17.261 1.226 679 HD2 PHE 87 HD2 PHE 87 2.251 -20.678 3.174 680 HE1 PHE 87 HE1 PHE 87 1.911 -17.701 -0.778 681 HE2 PHE 87 HE2 PHE 87 3.641 -21.114 1.168 682 HZ PHE 87 HZ PHE 87 3.472 -19.627 -0.807 683 H PHE 88 HN PHE 88 -1.784 -17.067 4.894 684 HA PHE 88 HA PHE 88 -2.366 -18.644 7.162 685 1HB PHE 88 HB2 PHE 88 -2.191 -16.142 7.120 686 2HB PHE 88 HB1 PHE 88 -3.776 -16.084 6.350 687 HD1 PHE 88 HD1 PHE 88 -5.752 -16.184 7.647 688 HD2 PHE 88 HD2 PHE 88 -1.998 -17.340 9.391 689 HE1 PHE 88 HE1 PHE 88 -6.833 -16.342 9.873 690 HE2 PHE 88 HE2 PHE 88 -3.082 -17.497 11.618 691 HZ PHE 88 HZ PHE 88 -5.500 -16.999 11.859 692 H GLU 89 HN GLU 89 -4.144 -18.287 4.212 693 HA GLU 89 HA GLU 89 -6.620 -19.411 5.437 694 1HB GLU 89 HB2 GLU 89 -6.048 -18.360 2.650 695 2HB GLU 89 HB1 GLU 89 -7.598 -19.018 3.172 696 1HG GLU 89 HG2 GLU 89 -7.764 -17.288 4.915 697 2HG GLU 89 HG1 GLU 89 -6.204 -16.633 4.423 698 H HIS 90 HN HIS 90 -3.825 -20.384 3.679 699 HA HIS 90 HA HIS 90 -4.919 -22.612 2.246 700 1HB HIS 90 HB2 HIS 90 -2.165 -21.970 3.318 701 2HB HIS 90 HB1 HIS 90 -2.492 -23.523 2.551 702 HD1 HIS 90 HD1 HIS 90 -4.672 -21.316 0.870 703 HD2 HIS 90 HD2 HIS 90 -0.550 -21.932 0.682 704 HE1 HIS 90 HE1 HIS 90 -3.907 -20.376 -1.354 705 HE2 HIS 90 HE2 HIS 90 -1.400 -20.745 -1.480 706 H GLU 91 HN GLU 91 -6.233 -23.981 3.378 707 HA GLU 91 HA GLU 91 -5.745 -24.710 6.144 708 1HB GLU 91 HB2 GLU 91 -8.004 -24.683 4.992 709 2HB GLU 91 HB1 GLU 91 -7.511 -26.156 4.155 710 1HG GLU 91 HG2 GLU 91 -7.140 -27.263 6.337 711 2HG GLU 91 HG1 GLU 91 -7.663 -25.795 7.163 712 1H MET 0 HT1 MET 0 11.128 -1.076 11.828 713 2H MET 0 HT2 MET 0 12.655 -1.809 11.955 714 3H MET 0 HT3 MET 0 12.405 -0.248 12.578 715 HA MET 0 HA MET 0 12.417 -2.324 14.143 716 1HB MET 0 HB2 MET 0 10.551 0.055 14.204 717 2HB MET 0 HB1 MET 0 10.679 -1.069 15.556 718 1HG MET 0 HG2 MET 0 13.086 0.309 14.339 719 2HG MET 0 HG1 MET 0 12.188 0.980 15.700 720 1HE MET 0 HE1 MET 0 15.111 0.481 15.606 721 2HE MET 0 HE2 MET 0 15.625 -0.502 16.973 722 3HE MET 0 HE3 MET 0 14.550 0.868 17.238 723 H SER 1 HN SER 1 10.567 -2.630 11.565 724 HA SER 1 HA SER 1 9.109 -4.380 11.027 725 1HB SER 1 HB2 SER 1 8.099 -4.677 13.834 726 2HB SER 1 HB1 SER 1 8.355 -5.901 12.591 727 HG SER 1 HG SER 1 10.510 -5.865 13.001 728 H GLU 2 HN GLU 2 8.747 -1.422 11.812 729 HA GLU 2 HA GLU 2 6.025 -0.967 12.516 730 1HB GLU 2 HB2 GLU 2 7.892 0.609 10.723 731 2HB GLU 2 HB1 GLU 2 6.283 1.181 11.172 732 1HG GLU 2 HG2 GLU 2 6.863 1.119 13.532 733 2HG GLU 2 HG1 GLU 2 8.424 0.383 13.163 734 H LEU 3 HN LEU 3 7.545 -2.014 9.563 735 HA LEU 3 HA LEU 3 5.238 -1.667 7.846 736 1HB LEU 3 HB2 LEU 3 7.931 -2.909 7.682 737 2HB LEU 3 HB1 LEU 3 6.723 -3.675 6.662 738 HG LEU 3 HG LEU 3 8.099 -1.758 5.629 739 1HD1 LEU 3 HD11 LEU 3 5.098 -1.391 5.542 740 2HD1 LEU 3 HD12 LEU 3 5.946 -2.701 4.724 741 3HD1 LEU 3 HD13 LEU 3 6.267 -1.032 4.272 742 1HD2 LEU 3 HD21 LEU 3 7.789 0.417 6.267 743 2HD2 LEU 3 HD22 LEU 3 7.517 -0.339 7.832 744 3HD2 LEU 3 HD23 LEU 3 6.146 0.160 6.840 745 H GLU 4 HN GLU 4 6.205 -4.017 10.206 746 HA GLU 4 HA GLU 4 4.397 -6.099 9.218 747 1HB GLU 4 HB2 GLU 4 6.327 -6.877 10.438 748 2HB GLU 4 HB1 GLU 4 5.996 -5.789 11.779 749 1HG GLU 4 HG2 GLU 4 4.067 -7.016 12.448 750 2HG GLU 4 HG1 GLU 4 4.039 -7.935 10.943 751 H LYS 5 HN LYS 5 4.396 -3.385 11.392 752 HA LYS 5 HA LYS 5 1.999 -4.052 12.854 753 1HB LYS 5 HB2 LYS 5 3.866 -1.858 12.710 754 2HB LYS 5 HB1 LYS 5 2.261 -1.173 12.521 755 1HG LYS 5 HG2 LYS 5 2.637 -1.171 14.849 756 2HG LYS 5 HG1 LYS 5 1.609 -2.570 14.577 757 1HD LYS 5 HD2 LYS 5 3.382 -3.290 16.041 758 2HD LYS 5 HD1 LYS 5 3.707 -3.986 14.457 759 1HE LYS 5 HE2 LYS 5 5.555 -2.630 14.091 760 2HE LYS 5 HE1 LYS 5 4.924 -1.311 15.080 761 1HZ LYS 5 HZ1 LYS 5 5.815 -2.162 16.925 762 2HZ LYS 5 HZ2 LYS 5 6.814 -3.039 15.865 763 3HZ LYS 5 HZ3 LYS 5 5.422 -3.762 16.518 764 H ALA 6 HN ALA 6 2.639 -2.195 9.932 765 HA ALA 6 HA ALA 6 -0.085 -1.464 9.404 766 1HB ALA 6 HB1 ALA 6 1.742 -0.246 8.354 767 2HB ALA 6 HB2 ALA 6 0.749 -0.985 7.098 768 3HB ALA 6 HB3 ALA 6 2.290 -1.715 7.545 769 H MET 7 HN MET 7 1.957 -4.048 8.030 770 HA MET 7 HA MET 7 0.112 -5.180 6.266 771 1HB MET 7 HB2 MET 7 2.075 -6.598 8.100 772 2HB MET 7 HB1 MET 7 1.221 -7.391 6.781 773 1HG MET 7 HG2 MET 7 2.410 -6.231 5.139 774 2HG MET 7 HG1 MET 7 2.813 -4.899 6.223 775 1HE MET 7 HE1 MET 7 4.532 -6.331 4.218 776 2HE MET 7 HE2 MET 7 5.981 -7.053 4.909 777 3HE MET 7 HE3 MET 7 5.631 -5.352 5.200 778 H VAL 8 HN VAL 8 0.375 -5.669 9.774 779 HA VAL 8 HA VAL 8 -1.792 -7.595 9.868 780 HB VAL 8 HB VAL 8 -0.404 -5.934 11.985 781 1HG1 VAL 8 HG11 VAL 8 -2.715 -7.866 12.224 782 2HG1 VAL 8 HG12 VAL 8 -2.564 -6.246 12.908 783 3HG1 VAL 8 HG13 VAL 8 -1.611 -7.576 13.570 784 1HG2 VAL 8 HG21 VAL 8 0.744 -7.934 12.514 785 2HG2 VAL 8 HG22 VAL 8 0.705 -7.936 10.753 786 3HG2 VAL 8 HG23 VAL 8 -0.427 -8.939 11.662 787 H ALA 9 HN ALA 9 -1.555 -4.097 10.470 788 HA ALA 9 HA ALA 9 -4.244 -3.737 11.342 789 1HB ALA 9 HB1 ALA 9 -2.414 -2.015 11.475 790 2HB ALA 9 HB2 ALA 9 -3.927 -1.392 10.820 791 3HB ALA 9 HB3 ALA 9 -2.588 -1.767 9.736 792 H LEU 10 HN LEU 10 -2.839 -3.893 8.068 793 HA LEU 10 HA LEU 10 -5.384 -3.144 6.826 794 1HB LEU 10 HB2 LEU 10 -2.668 -3.968 5.863 795 2HB LEU 10 HB1 LEU 10 -4.020 -4.148 4.745 796 HG LEU 10 HG LEU 10 -4.598 -1.780 5.022 797 1HD1 LEU 10 HD11 LEU 10 -3.020 -0.308 6.292 798 2HD1 LEU 10 HD12 LEU 10 -2.221 -1.756 6.906 799 3HD1 LEU 10 HD13 LEU 10 -3.900 -1.429 7.330 800 1HD2 LEU 10 HD21 LEU 10 -2.940 -2.416 3.301 801 2HD2 LEU 10 HD22 LEU 10 -1.647 -2.201 4.482 802 3HD2 LEU 10 HD23 LEU 10 -2.596 -0.813 3.953 803 H ILE 11 HN ILE 11 -3.602 -6.225 7.226 804 HA ILE 11 HA ILE 11 -5.168 -7.945 5.774 805 HB ILE 11 HB ILE 11 -3.344 -8.139 7.999 806 1HG1 ILE 11 HG12 ILE 11 -3.144 -10.540 7.127 807 2HG1 ILE 11 HG11 ILE 11 -4.380 -10.097 5.952 808 1HG2 ILE 11 HG21 ILE 11 -5.204 -8.773 9.456 809 2HG2 ILE 11 HG22 ILE 11 -4.191 -10.175 9.132 810 3HG2 ILE 11 HG23 ILE 11 -5.730 -9.995 8.294 811 1HD1 ILE 11 HD11 ILE 11 -2.917 -8.166 5.254 812 2HD1 ILE 11 HD12 ILE 11 -2.206 -9.748 4.934 813 3HD1 ILE 11 HD13 ILE 11 -1.664 -8.803 6.319 814 H ASP 12 HN ASP 12 -5.924 -6.749 9.032 815 HA ASP 12 HA ASP 12 -8.394 -8.142 9.316 816 1HB ASP 12 HB2 ASP 12 -7.374 -5.560 10.516 817 2HB ASP 12 HB1 ASP 12 -8.939 -6.247 10.949 818 H VAL 13 HN VAL 13 -7.783 -4.797 8.229 819 HA VAL 13 HA VAL 13 -10.572 -4.415 7.503 820 HB VAL 13 HB VAL 13 -8.146 -2.778 6.716 821 1HG1 VAL 13 HG11 VAL 13 -10.022 -0.961 6.741 822 2HG1 VAL 13 HG12 VAL 13 -11.125 -2.328 6.592 823 3HG1 VAL 13 HG13 VAL 13 -9.910 -2.035 5.347 824 1HG2 VAL 13 HG21 VAL 13 -9.925 -2.782 9.159 825 2HG2 VAL 13 HG22 VAL 13 -9.023 -1.350 8.677 826 3HG2 VAL 13 HG23 VAL 13 -8.163 -2.833 9.089 827 H PHE 14 HN PHE 14 -7.731 -5.599 5.870 828 HA PHE 14 HA PHE 14 -8.744 -5.167 3.169 829 1HB PHE 14 HB2 PHE 14 -6.460 -6.651 4.390 830 2HB PHE 14 HB1 PHE 14 -6.984 -7.216 2.813 831 HD1 PHE 14 HD1 PHE 14 -5.209 -6.491 1.420 832 HD2 PHE 14 HD2 PHE 14 -7.095 -3.717 4.104 833 HE1 PHE 14 HE1 PHE 14 -4.001 -4.621 0.333 834 HE2 PHE 14 HE2 PHE 14 -5.885 -1.845 3.016 835 HZ PHE 14 HZ PHE 14 -4.341 -2.297 1.129 836 H HIS 15 HN HIS 15 -8.774 -7.967 5.380 837 HA HIS 15 HA HIS 15 -10.154 -9.634 3.445 838 1HB HIS 15 HB2 HIS 15 -8.645 -10.283 5.517 839 2HB HIS 15 HB1 HIS 15 -10.168 -10.219 6.399 840 HD1 HIS 15 HD1 HIS 15 -10.766 -12.644 6.687 841 HD2 HIS 15 HD2 HIS 15 -9.623 -11.786 2.769 842 HE1 HIS 15 HE1 HIS 15 -11.167 -14.752 5.343 843 H GLN 16 HN GLN 16 -11.181 -7.668 6.230 844 HA GLN 16 HA GLN 16 -13.897 -8.627 6.229 845 1HB GLN 16 HB2 GLN 16 -12.679 -6.040 7.227 846 2HB GLN 16 HB1 GLN 16 -14.363 -6.491 7.491 847 1HG GLN 16 HG2 GLN 16 -13.752 -8.394 8.795 848 2HG GLN 16 HG1 GLN 16 -12.064 -8.285 8.292 849 1HE2 GLN 16 HE21 GLN 16 -10.848 -7.568 10.044 850 2HE2 GLN 16 HE22 GLN 16 -11.304 -6.325 11.106 851 H TYR 17 HN TYR 17 -12.294 -5.929 4.564 852 HA TYR 17 HA TYR 17 -14.847 -5.073 3.351 853 1HB TYR 17 HB2 TYR 17 -12.008 -4.061 3.246 854 2HB TYR 17 HB1 TYR 17 -13.238 -3.445 2.149 855 HD1 TYR 17 HD1 TYR 17 -12.714 -4.159 5.793 856 HD2 TYR 17 HD2 TYR 17 -14.572 -1.643 2.848 857 HE1 TYR 17 HE1 TYR 17 -13.584 -2.692 7.594 858 HE2 TYR 17 HE2 TYR 17 -15.439 -0.175 4.651 859 HH TYR 17 HH TYR 17 -15.287 0.319 6.854 860 H SER 18 HN SER 18 -11.664 -6.080 2.015 861 HA SER 18 HA SER 18 -12.627 -6.428 -0.628 862 1HB SER 18 HB2 SER 18 -10.597 -7.512 -1.078 863 2HB SER 18 HB1 SER 18 -10.188 -6.534 0.328 864 HG SER 18 HG SER 18 -11.186 -8.761 1.261 865 H GLY 19 HN GLY 19 -12.979 -8.364 2.227 866 1HA GLY 19 HA2 GLY 19 -14.058 -10.670 0.670 867 2HA GLY 19 HA1 GLY 19 -13.654 -10.688 2.386 868 H ARG 20 HN ARG 20 -15.271 -7.818 1.795 869 HA ARG 20 HA ARG 20 -17.604 -8.623 3.258 870 1HB ARG 20 HB2 ARG 20 -16.743 -6.280 3.087 871 2HB ARG 20 HB1 ARG 20 -17.290 -6.236 1.415 872 1HG ARG 20 HG2 ARG 20 -19.609 -6.849 2.327 873 2HG ARG 20 HG1 ARG 20 -18.959 -6.478 3.925 874 1HD ARG 20 HD2 ARG 20 -18.352 -4.212 3.153 875 2HD ARG 20 HD1 ARG 20 -19.007 -4.584 1.558 876 HE ARG 20 HE ARG 20 -21.175 -4.266 2.434 877 1HH1 ARG 20 HH21 ARG 20 -18.809 -4.668 4.910 878 2HH1 ARG 20 HH22 ARG 20 -19.912 -4.333 6.202 879 1HH2 ARG 20 HH11 ARG 20 -22.624 -3.817 4.105 880 2HH2 ARG 20 HH12 ARG 20 -22.072 -3.851 5.747 881 H GLU 21 HN GLU 21 -16.977 -8.126 -0.199 882 HA GLU 21 HA GLU 21 -19.120 -10.026 -0.853 883 1HB GLU 21 HB2 GLU 21 -20.006 -8.113 -2.541 884 2HB GLU 21 HB1 GLU 21 -20.662 -8.301 -0.916 885 1HG GLU 21 HG2 GLU 21 -19.259 -6.557 -0.050 886 2HG GLU 21 HG1 GLU 21 -18.329 -6.480 -1.546 887 H GLY 22 HN GLY 22 -19.038 -10.672 -3.108 888 1HA GLY 22 HA2 GLY 22 -18.026 -10.584 -5.326 889 2HA GLY 22 HA1 GLY 22 -16.645 -9.729 -4.636 890 H ASP 23 HN ASP 23 -15.373 -11.440 -5.750 891 HA ASP 23 HA ASP 23 -15.500 -14.184 -5.321 892 1HB ASP 23 HB2 ASP 23 -13.052 -12.404 -5.463 893 2HB ASP 23 HB1 ASP 23 -12.987 -14.165 -5.538 894 H LYS 24 HN LYS 24 -13.015 -12.403 -3.489 895 HA LYS 24 HA LYS 24 -14.051 -12.910 -0.901 896 1HB LYS 24 HB2 LYS 24 -13.062 -15.281 -2.178 897 2HB LYS 24 HB1 LYS 24 -11.890 -14.862 -0.940 898 1HG LYS 24 HG2 LYS 24 -14.865 -15.012 -0.385 899 2HG LYS 24 HG1 LYS 24 -13.782 -16.389 -0.192 900 1HD LYS 24 HD2 LYS 24 -12.483 -15.240 1.477 901 2HD LYS 24 HD1 LYS 24 -13.319 -13.720 1.165 902 1HE LYS 24 HE2 LYS 24 -15.433 -14.712 1.958 903 2HE LYS 24 HE1 LYS 24 -14.603 -16.238 2.261 904 1HZ LYS 24 HZ1 LYS 24 -14.404 -15.332 4.306 905 2HZ LYS 24 HZ2 LYS 24 -14.489 -13.731 3.743 906 3HZ LYS 24 HZ3 LYS 24 -13.038 -14.604 3.615 907 H HIS 25 HN HIS 25 -11.687 -11.818 -3.031 908 HA HIS 25 HA HIS 25 -10.309 -10.433 -0.820 909 1HB HIS 25 HB2 HIS 25 -8.550 -11.903 -2.779 910 2HB HIS 25 HB1 HIS 25 -8.144 -11.258 -1.189 911 HD2 HIS 25 HD2 HIS 25 -9.148 -14.595 -2.742 912 HE1 HIS 25 HE1 HIS 25 -9.835 -15.006 1.405 913 HE2 HIS 25 HE2 HIS 25 -9.652 -16.255 -0.795 914 H LYS 26 HN LYS 26 -11.946 -9.292 -2.747 915 HA LYS 26 HA LYS 26 -9.954 -7.690 -4.291 916 1HB LYS 26 HB2 LYS 26 -11.306 -9.409 -5.709 917 2HB LYS 26 HB1 LYS 26 -12.685 -8.358 -5.413 918 1HG LYS 26 HG2 LYS 26 -11.694 -6.531 -6.552 919 2HG LYS 26 HG1 LYS 26 -10.088 -7.251 -6.508 920 1HD LYS 26 HD2 LYS 26 -12.297 -8.704 -7.951 921 2HD LYS 26 HD1 LYS 26 -11.514 -7.333 -8.732 922 1HE LYS 26 HE2 LYS 26 -9.892 -9.577 -7.529 923 2HE LYS 26 HE1 LYS 26 -10.518 -9.671 -9.174 924 1HZ LYS 26 HZ1 LYS 26 -8.601 -8.626 -9.642 925 2HZ LYS 26 HZ2 LYS 26 -8.422 -7.992 -8.077 926 3HZ LYS 26 HZ3 LYS 26 -9.461 -7.237 -9.188 927 H LEU 27 HN LEU 27 -10.493 -5.487 -4.420 928 HA LEU 27 HA LEU 27 -12.376 -4.570 -2.346 929 1HB LEU 27 HB2 LEU 27 -10.029 -3.641 -2.753 930 2HB LEU 27 HB1 LEU 27 -10.678 -2.881 -4.197 931 HG LEU 27 HG LEU 27 -11.990 -2.442 -1.499 932 1HD1 LEU 27 HD11 LEU 27 -10.587 -0.244 -1.554 933 2HD1 LEU 27 HD12 LEU 27 -9.510 -1.151 -2.616 934 3HD1 LEU 27 HD13 LEU 27 -9.825 -1.725 -0.980 935 1HD2 LEU 27 HD21 LEU 27 -11.921 -0.968 -4.152 936 2HD2 LEU 27 HD22 LEU 27 -12.480 -0.196 -2.673 937 3HD2 LEU 27 HD23 LEU 27 -13.320 -1.600 -3.299 938 H LYS 28 HN LYS 28 -14.398 -3.923 -2.771 939 HA LYS 28 HA LYS 28 -15.218 -3.353 -5.602 940 1HB LYS 28 HB2 LYS 28 -16.689 -4.417 -3.187 941 2HB LYS 28 HB1 LYS 28 -17.572 -3.684 -4.523 942 1HG LYS 28 HG2 LYS 28 -16.578 -5.291 -6.090 943 2HG LYS 28 HG1 LYS 28 -15.651 -6.015 -4.773 944 1HD LYS 28 HD2 LYS 28 -17.578 -6.864 -3.716 945 2HD LYS 28 HD1 LYS 28 -18.658 -5.794 -4.608 946 1HE LYS 28 HE2 LYS 28 -18.472 -8.309 -5.307 947 2HE LYS 28 HE1 LYS 28 -18.522 -7.069 -6.560 948 1HZ LYS 28 HZ1 LYS 28 -15.967 -8.030 -5.430 949 2HZ LYS 28 HZ2 LYS 28 -16.233 -7.198 -6.887 950 3HZ LYS 28 HZ3 LYS 28 -16.713 -8.821 -6.730 951 H LYS 29 HN LYS 29 -16.471 -1.410 -5.972 952 HA LYS 29 HA LYS 29 -15.764 0.931 -4.658 953 1HB LYS 29 HB2 LYS 29 -18.426 0.252 -5.941 954 2HB LYS 29 HB1 LYS 29 -17.980 1.878 -5.424 955 1HG LYS 29 HG2 LYS 29 -15.809 1.375 -6.916 956 2HG LYS 29 HG1 LYS 29 -16.904 0.243 -7.706 957 1HD LYS 29 HD2 LYS 29 -18.556 2.264 -7.792 958 2HD LYS 29 HD1 LYS 29 -17.121 3.244 -7.489 959 1HE LYS 29 HE2 LYS 29 -17.506 3.065 -9.900 960 2HE LYS 29 HE1 LYS 29 -16.027 2.206 -9.469 961 1HZ LYS 29 HZ1 LYS 29 -18.315 0.525 -9.264 962 2HZ LYS 29 HZ2 LYS 29 -16.890 0.299 -10.158 963 3HZ LYS 29 HZ3 LYS 29 -18.181 1.180 -10.822 964 H SER 30 HN SER 30 -18.599 -1.094 -3.890 965 HA SER 30 HA SER 30 -19.687 0.381 -1.778 966 1HB SER 30 HB2 SER 30 -19.348 -2.620 -1.611 967 2HB SER 30 HB1 SER 30 -20.666 -1.638 -0.981 968 HG SER 30 HG SER 30 -20.716 -2.848 -3.207 969 H GLU 31 HN GLU 31 -16.563 -0.914 -1.965 970 HA GLU 31 HA GLU 31 -16.201 -0.960 1.004 971 1HB GLU 31 HB2 GLU 31 -14.221 -1.703 -1.161 972 2HB GLU 31 HB1 GLU 31 -14.057 -1.992 0.564 973 1HG GLU 31 HG2 GLU 31 -16.039 -3.462 0.513 974 2HG GLU 31 HG1 GLU 31 -16.190 -3.185 -1.223 975 H LEU 32 HN LEU 32 -14.919 0.594 -1.928 976 HA LEU 32 HA LEU 32 -13.075 2.251 -0.522 977 1HB LEU 32 HB2 LEU 32 -13.733 1.796 -3.201 978 2HB LEU 32 HB1 LEU 32 -14.199 3.470 -2.965 979 HG LEU 32 HG LEU 32 -11.474 2.414 -2.157 980 1HD1 LEU 32 HD11 LEU 32 -11.873 2.107 -4.605 981 2HD1 LEU 32 HD12 LEU 32 -10.618 3.298 -4.258 982 3HD1 LEU 32 HD13 LEU 32 -12.229 3.828 -4.732 983 1HD2 LEU 32 HD21 LEU 32 -10.905 4.835 -2.301 984 2HD2 LEU 32 HD22 LEU 32 -12.165 4.521 -1.110 985 3HD2 LEU 32 HD23 LEU 32 -12.589 5.187 -2.686 986 H LYS 33 HN LYS 33 -16.380 2.965 -1.682 987 HA LYS 33 HA LYS 33 -16.503 5.553 -0.453 988 1HB LYS 33 HB2 LYS 33 -17.972 4.555 -2.292 989 2HB LYS 33 HB1 LYS 33 -18.796 3.665 -1.014 990 1HG LYS 33 HG2 LYS 33 -19.091 6.009 0.108 991 2HG LYS 33 HG1 LYS 33 -18.724 6.643 -1.498 992 1HD LYS 33 HD2 LYS 33 -21.031 6.439 -1.689 993 2HD LYS 33 HD1 LYS 33 -20.537 4.844 -2.260 994 1HE LYS 33 HE2 LYS 33 -20.907 3.903 -0.022 995 2HE LYS 33 HE1 LYS 33 -21.332 5.499 0.598 996 1HZ LYS 33 HZ1 LYS 33 -23.065 3.688 -0.450 997 2HZ LYS 33 HZ2 LYS 33 -22.827 4.773 -1.735 998 3HZ LYS 33 HZ3 LYS 33 -23.375 5.341 -0.231 999 H GLU 34 HN GLU 34 -17.350 2.298 0.623 1000 HA GLU 34 HA GLU 34 -18.480 3.253 3.151 1001 1HB GLU 34 HB2 GLU 34 -19.162 1.094 2.076 1002 2HB GLU 34 HB1 GLU 34 -17.570 0.443 2.476 1003 1HG GLU 34 HG2 GLU 34 -19.026 -0.256 4.237 1004 2HG GLU 34 HG1 GLU 34 -18.085 1.075 4.905 1005 H LEU 35 HN LEU 35 -15.354 2.065 2.074 1006 HA LEU 35 HA LEU 35 -14.257 1.864 4.747 1007 1HB LEU 35 HB2 LEU 35 -13.289 0.591 2.875 1008 2HB LEU 35 HB1 LEU 35 -12.893 2.096 2.045 1009 HG LEU 35 HG LEU 35 -11.348 2.732 3.823 1010 1HD1 LEU 35 HD11 LEU 35 -10.835 0.847 5.549 1011 2HD1 LEU 35 HD12 LEU 35 -12.453 0.264 5.157 1012 3HD1 LEU 35 HD13 LEU 35 -12.230 1.881 5.828 1013 1HD2 LEU 35 HD21 LEU 35 -10.974 -0.115 2.847 1014 2HD2 LEU 35 HD22 LEU 35 -9.694 0.881 3.538 1015 3HD2 LEU 35 HD23 LEU 35 -10.456 1.353 2.021 1016 H ILE 36 HN ILE 36 -14.475 4.357 2.281 1017 HA ILE 36 HA ILE 36 -12.624 6.200 3.484 1018 HB ILE 36 HB ILE 36 -14.889 6.470 1.502 1019 1HG1 ILE 36 HG12 ILE 36 -11.951 7.121 1.221 1020 2HG1 ILE 36 HG11 ILE 36 -12.594 5.506 0.937 1021 1HG2 ILE 36 HG21 ILE 36 -14.984 8.576 2.651 1022 2HG2 ILE 36 HG22 ILE 36 -14.056 8.851 1.174 1023 3HG2 ILE 36 HG23 ILE 36 -13.226 8.687 2.723 1024 1HD1 ILE 36 HD11 ILE 36 -13.971 6.270 -0.865 1025 2HD1 ILE 36 HD12 ILE 36 -12.388 7.002 -1.127 1026 3HD1 ILE 36 HD13 ILE 36 -13.701 7.960 -0.442 1027 H ASN 37 HN ASN 37 -16.055 5.587 3.812 1028 HA ASN 37 HA ASN 37 -16.526 7.815 5.626 1029 1HB ASN 37 HB2 ASN 37 -18.335 6.987 4.227 1030 2HB ASN 37 HB1 ASN 37 -18.189 5.380 4.937 1031 1HD2 ASN 37 HD21 ASN 37 -17.895 8.342 6.873 1032 2HD2 ASN 37 HD22 ASN 37 -19.335 8.116 7.746 1033 H ASN 38 HN ASN 38 -15.464 4.503 6.053 1034 HA ASN 38 HA ASN 38 -16.248 4.511 8.911 1035 1HB ASN 38 HB2 ASN 38 -16.432 2.505 7.314 1036 2HB ASN 38 HB1 ASN 38 -14.688 2.341 7.516 1037 1HD2 ASN 38 HD21 ASN 38 -17.645 1.369 8.833 1038 2HD2 ASN 38 HD22 ASN 38 -17.097 0.906 10.372 1039 H GLU 39 HN GLU 39 -13.142 4.339 7.088 1040 HA GLU 39 HA GLU 39 -11.738 4.949 9.697 1041 1HB GLU 39 HB2 GLU 39 -10.701 3.419 7.291 1042 2HB GLU 39 HB1 GLU 39 -9.812 3.738 8.783 1043 1HG GLU 39 HG2 GLU 39 -11.563 2.516 10.058 1044 2HG GLU 39 HG1 GLU 39 -12.378 2.139 8.541 1045 H LEU 40 HN LEU 40 -11.412 5.343 6.153 1046 HA LEU 40 HA LEU 40 -9.562 7.589 6.551 1047 1HB LEU 40 HB2 LEU 40 -10.708 7.379 3.848 1048 2HB LEU 40 HB1 LEU 40 -9.029 7.314 4.352 1049 HG LEU 40 HG LEU 40 -10.965 4.979 4.534 1050 1HD1 LEU 40 HD11 LEU 40 -9.834 4.081 2.614 1051 2HD1 LEU 40 HD12 LEU 40 -8.676 5.410 2.611 1052 3HD1 LEU 40 HD13 LEU 40 -10.365 5.712 2.207 1053 1HD2 LEU 40 HD21 LEU 40 -9.123 3.664 5.237 1054 2HD2 LEU 40 HD22 LEU 40 -8.916 5.156 6.153 1055 3HD2 LEU 40 HD23 LEU 40 -7.949 4.871 4.711 1056 H SER 41 HN SER 41 -12.428 7.546 7.577 1057 HA SER 41 HA SER 41 -13.724 9.707 6.088 1058 1HB SER 41 HB2 SER 41 -15.557 9.141 7.346 1059 2HB SER 41 HB1 SER 41 -14.601 7.753 7.852 1060 HG SER 41 HG SER 41 -15.116 10.173 9.165 1061 H HIS 42 HN HIS 42 -11.336 9.405 8.545 1062 HA HIS 42 HA HIS 42 -11.775 12.127 9.619 1063 1HB HIS 42 HB2 HIS 42 -9.778 9.928 10.209 1064 2HB HIS 42 HB1 HIS 42 -9.636 11.541 10.906 1065 HD1 HIS 42 HD1 HIS 42 -13.015 9.976 10.371 1066 HD2 HIS 42 HD2 HIS 42 -10.347 10.634 13.511 1067 HE1 HIS 42 HE1 HIS 42 -14.275 9.452 12.507 1068 HE2 HIS 42 HE2 HIS 42 -12.661 9.850 14.423 1069 H PHE 43 HN PHE 43 -9.891 10.425 7.260 1070 HA PHE 43 HA PHE 43 -8.102 12.785 6.838 1071 1HB PHE 43 HB2 PHE 43 -7.993 9.893 5.947 1072 2HB PHE 43 HB1 PHE 43 -6.991 11.131 5.189 1073 HD1 PHE 43 HD1 PHE 43 -7.295 8.880 7.963 1074 HD2 PHE 43 HD2 PHE 43 -5.543 12.609 6.749 1075 HE1 PHE 43 HE1 PHE 43 -5.677 8.727 9.828 1076 HE2 PHE 43 HE2 PHE 43 -3.922 12.453 8.617 1077 HZ PHE 43 HZ PHE 43 -3.987 10.510 10.158 1078 H LEU 44 HN LEU 44 -10.066 10.454 4.939 1079 HA LEU 44 HA LEU 44 -10.326 12.480 2.800 1080 1HB LEU 44 HB2 LEU 44 -10.938 9.549 3.019 1081 2HB LEU 44 HB1 LEU 44 -11.779 10.494 1.797 1082 HG LEU 44 HG LEU 44 -9.696 9.414 0.952 1083 1HD1 LEU 44 HD11 LEU 44 -9.188 11.170 -0.439 1084 2HD1 LEU 44 HD12 LEU 44 -9.053 12.335 0.874 1085 3HD1 LEU 44 HD13 LEU 44 -10.642 11.849 0.284 1086 1HD2 LEU 44 HD21 LEU 44 -8.272 11.344 2.803 1087 2HD2 LEU 44 HD22 LEU 44 -7.535 10.155 1.734 1088 3HD2 LEU 44 HD23 LEU 44 -8.466 9.621 3.130 1089 H GLU 45 HN GLU 45 -12.158 13.725 2.589 1090 HA GLU 45 HA GLU 45 -14.097 13.838 4.664 1091 1HB GLU 45 HB2 GLU 45 -13.600 15.648 2.954 1092 2HB GLU 45 HB1 GLU 45 -14.545 14.712 1.795 1093 1HG GLU 45 HG2 GLU 45 -16.472 14.780 3.405 1094 2HG GLU 45 HG1 GLU 45 -15.525 15.868 4.419 1095 H GLU 46 HN GLU 46 -16.294 13.060 4.708 1096 HA GLU 46 HA GLU 46 -16.641 10.429 3.587 1097 1HB GLU 46 HB2 GLU 46 -17.744 11.359 5.699 1098 2HB GLU 46 HB1 GLU 46 -18.858 12.207 4.625 1099 1HG GLU 46 HG2 GLU 46 -19.297 9.926 3.532 1100 2HG GLU 46 HG1 GLU 46 -18.470 9.223 4.923 1101 H ILE 47 HN ILE 47 -16.601 10.424 1.336 1102 HA ILE 47 HA ILE 47 -17.872 12.418 -0.277 1103 HB ILE 47 HB ILE 47 -17.580 10.813 -2.146 1104 1HG1 ILE 47 HG12 ILE 47 -16.501 8.893 -0.061 1105 2HG1 ILE 47 HG11 ILE 47 -18.121 8.757 -0.742 1106 1HG2 ILE 47 HG21 ILE 47 -15.136 10.598 -1.970 1107 2HG2 ILE 47 HG22 ILE 47 -15.229 10.907 -0.234 1108 3HG2 ILE 47 HG23 ILE 47 -15.669 12.175 -1.377 1109 1HD1 ILE 47 HD11 ILE 47 -17.259 8.437 -2.961 1110 2HD1 ILE 47 HD12 ILE 47 -16.361 7.352 -1.905 1111 3HD1 ILE 47 HD13 ILE 47 -15.625 8.853 -2.450 1112 H LYS 48 HN LYS 48 -19.924 12.501 -1.164 1113 HA LYS 48 HA LYS 48 -21.916 10.536 -0.087 1114 1HB LYS 48 HB2 LYS 48 -22.383 13.309 -1.239 1115 2HB LYS 48 HB1 LYS 48 -23.581 12.282 -0.454 1116 1HG LYS 48 HG2 LYS 48 -22.552 12.513 1.673 1117 2HG LYS 48 HG1 LYS 48 -21.063 13.145 0.976 1118 1HD LYS 48 HD2 LYS 48 -22.065 15.229 0.441 1119 2HD LYS 48 HD1 LYS 48 -23.695 14.598 0.675 1120 1HE LYS 48 HE2 LYS 48 -21.631 14.853 2.883 1121 2HE LYS 48 HE1 LYS 48 -22.910 16.028 2.578 1122 1HZ LYS 48 HZ1 LYS 48 -23.105 13.795 4.137 1123 2HZ LYS 48 HZ2 LYS 48 -23.911 13.359 2.708 1124 3HZ LYS 48 HZ3 LYS 48 -24.397 14.738 3.574 1125 H GLU 49 HN GLU 49 -20.293 11.604 -2.874 1126 HA GLU 49 HA GLU 49 -22.216 10.145 -4.664 1127 1HB GLU 49 HB2 GLU 49 -20.477 12.566 -5.234 1128 2HB GLU 49 HB1 GLU 49 -21.321 11.647 -6.480 1129 1HG GLU 49 HG2 GLU 49 -23.475 12.146 -5.451 1130 2HG GLU 49 HG1 GLU 49 -22.673 12.965 -4.109 1131 H GLN 50 HN GLN 50 -21.311 8.522 -5.889 1132 HA GLN 50 HA GLN 50 -18.635 7.626 -5.267 1133 1HB GLN 50 HB2 GLN 50 -20.552 6.787 -7.466 1134 2HB GLN 50 HB1 GLN 50 -19.071 5.927 -7.042 1135 1HG GLN 50 HG2 GLN 50 -20.009 5.781 -4.664 1136 2HG GLN 50 HG1 GLN 50 -21.546 6.312 -5.350 1137 1HE2 GLN 50 HE21 GLN 50 -21.082 4.871 -7.934 1138 2HE2 GLN 50 HE22 GLN 50 -21.302 3.224 -7.589 1139 H GLU 51 HN GLU 51 -19.899 9.860 -7.566 1140 HA GLU 51 HA GLU 51 -18.264 9.611 -9.763 1141 1HB GLU 51 HB2 GLU 51 -19.197 12.106 -8.348 1142 2HB GLU 51 HB1 GLU 51 -18.349 12.153 -9.895 1143 1HG GLU 51 HG2 GLU 51 -20.084 10.639 -10.853 1144 2HG GLU 51 HG1 GLU 51 -20.957 10.717 -9.322 1145 H VAL 52 HN VAL 52 -17.305 10.901 -6.614 1146 HA VAL 52 HA VAL 52 -14.672 11.650 -7.652 1147 HB VAL 52 HB VAL 52 -14.157 11.788 -5.104 1148 1HG1 VAL 52 HG11 VAL 52 -14.538 13.781 -6.432 1149 2HG1 VAL 52 HG12 VAL 52 -15.449 13.936 -4.929 1150 3HG1 VAL 52 HG13 VAL 52 -16.281 13.504 -6.424 1151 1HG2 VAL 52 HG21 VAL 52 -17.188 11.652 -5.001 1152 2HG2 VAL 52 HG22 VAL 52 -16.091 11.894 -3.650 1153 3HG2 VAL 52 HG23 VAL 52 -16.125 10.342 -4.482 1154 H VAL 53 HN VAL 53 -16.138 8.963 -5.916 1155 HA VAL 53 HA VAL 53 -13.665 7.568 -5.528 1156 HB VAL 53 HB VAL 53 -16.339 7.195 -4.782 1157 1HG1 VAL 53 HG11 VAL 53 -16.723 5.990 -6.968 1158 2HG1 VAL 53 HG12 VAL 53 -17.017 4.994 -5.547 1159 3HG1 VAL 53 HG13 VAL 53 -15.524 4.802 -6.464 1160 1HG2 VAL 53 HG21 VAL 53 -14.325 6.565 -3.491 1161 2HG2 VAL 53 HG22 VAL 53 -14.096 5.180 -4.558 1162 3HG2 VAL 53 HG23 VAL 53 -15.525 5.272 -3.528 1163 H ASP 54 HN ASP 54 -15.739 8.160 -8.208 1164 HA ASP 54 HA ASP 54 -14.694 5.967 -9.850 1165 1HB ASP 54 HB2 ASP 54 -16.281 8.461 -10.541 1166 2HB ASP 54 HB1 ASP 54 -15.830 7.226 -11.716 1167 H LYS 55 HN LYS 55 -14.046 9.391 -9.298 1168 HA LYS 55 HA LYS 55 -12.066 9.565 -11.431 1169 1HB LYS 55 HB2 LYS 55 -12.612 11.749 -11.050 1170 2HB LYS 55 HB1 LYS 55 -13.309 11.360 -9.492 1171 1HG LYS 55 HG2 LYS 55 -11.532 12.967 -9.177 1172 2HG LYS 55 HG1 LYS 55 -11.004 11.444 -8.489 1173 1HD LYS 55 HD2 LYS 55 -9.977 11.088 -10.932 1174 2HD LYS 55 HD1 LYS 55 -10.073 12.841 -10.984 1175 1HE LYS 55 HE2 LYS 55 -8.499 11.110 -9.080 1176 2HE LYS 55 HE1 LYS 55 -7.916 12.409 -10.121 1177 1HZ LYS 55 HZ1 LYS 55 -8.226 13.809 -8.456 1178 2HZ LYS 55 HZ2 LYS 55 -8.848 12.570 -7.474 1179 3HZ LYS 55 HZ3 LYS 55 -9.887 13.475 -8.469 1180 H VAL 56 HN VAL 56 -11.802 9.393 -7.838 1181 HA VAL 56 HA VAL 56 -8.986 9.217 -7.741 1182 HB VAL 56 HB VAL 56 -10.794 9.327 -5.837 1183 1HG1 VAL 56 HG11 VAL 56 -11.371 7.272 -4.783 1184 2HG1 VAL 56 HG12 VAL 56 -10.220 6.360 -5.758 1185 3HG1 VAL 56 HG13 VAL 56 -11.676 7.015 -6.497 1186 1HG2 VAL 56 HG21 VAL 56 -9.111 8.308 -4.225 1187 2HG2 VAL 56 HG22 VAL 56 -8.467 9.541 -5.310 1188 3HG2 VAL 56 HG23 VAL 56 -8.168 7.835 -5.639 1189 H MET 57 HN MET 57 -11.429 6.734 -8.304 1190 HA MET 57 HA MET 57 -9.597 4.519 -8.424 1191 1HB MET 57 HB2 MET 57 -12.339 5.001 -9.619 1192 2HB MET 57 HB1 MET 57 -11.483 3.471 -9.798 1193 1HG MET 57 HG2 MET 57 -11.785 4.643 -7.044 1194 2HG MET 57 HG1 MET 57 -13.161 3.823 -7.780 1195 1HE MET 57 HE1 MET 57 -13.356 1.611 -8.465 1196 2HE MET 57 HE2 MET 57 -13.475 1.411 -6.718 1197 3HE MET 57 HE3 MET 57 -12.546 0.253 -7.674 1198 H GLU 58 HN GLU 58 -10.607 6.969 -10.730 1199 HA GLU 58 HA GLU 58 -9.590 5.727 -13.104 1200 1HB GLU 58 HB2 GLU 58 -11.094 7.815 -12.902 1201 2HB GLU 58 HB1 GLU 58 -9.601 8.708 -12.601 1202 1HG GLU 58 HG2 GLU 58 -8.685 7.967 -14.740 1203 2HG GLU 58 HG1 GLU 58 -10.110 6.971 -15.037 1204 H THR 59 HN THR 59 -8.112 7.793 -10.648 1205 HA THR 59 HA THR 59 -5.564 7.911 -12.062 1206 HB THR 59 HB THR 59 -6.278 8.633 -9.209 1207 HG1 THR 59 HG1 THR 59 -6.600 9.843 -11.615 1208 1HG2 THR 59 HG21 THR 59 -3.767 8.906 -10.854 1209 2HG2 THR 59 HG22 THR 59 -3.944 8.296 -9.208 1210 3HG2 THR 59 HG23 THR 59 -4.112 10.022 -9.534 1211 H LEU 60 HN LEU 60 -7.037 5.919 -9.564 1212 HA LEU 60 HA LEU 60 -4.441 4.585 -9.030 1213 1HB LEU 60 HB2 LEU 60 -7.160 4.566 -7.784 1214 2HB LEU 60 HB1 LEU 60 -6.170 3.127 -7.566 1215 HG LEU 60 HG LEU 60 -5.881 4.734 -5.733 1216 1HD1 LEU 60 HD11 LEU 60 -3.895 3.324 -6.955 1217 2HD1 LEU 60 HD12 LEU 60 -3.644 4.289 -5.506 1218 3HD1 LEU 60 HD13 LEU 60 -3.229 4.954 -7.081 1219 1HD2 LEU 60 HD21 LEU 60 -4.823 6.908 -6.127 1220 2HD2 LEU 60 HD22 LEU 60 -6.316 6.784 -7.056 1221 3HD2 LEU 60 HD23 LEU 60 -4.759 6.579 -7.857 1222 H ASP 61 HN ASP 61 -7.631 3.676 -10.468 1223 HA ASP 61 HA ASP 61 -7.024 0.961 -10.883 1224 1HB ASP 61 HB2 ASP 61 -8.628 2.788 -12.663 1225 2HB ASP 61 HB1 ASP 61 -8.682 1.026 -12.657 1226 H GLU 62 HN GLU 62 -5.209 0.276 -11.727 1227 HA GLU 62 HA GLU 62 -3.917 1.693 -13.970 1228 1HB GLU 62 HB2 GLU 62 -3.168 -0.701 -12.287 1229 2HB GLU 62 HB1 GLU 62 -2.274 -0.302 -13.753 1230 1HG GLU 62 HG2 GLU 62 -2.770 1.756 -11.595 1231 2HG GLU 62 HG1 GLU 62 -1.381 0.670 -11.537 1232 H ASP 63 HN ASP 63 -5.481 -1.400 -13.301 1233 HA ASP 63 HA ASP 63 -5.314 -2.235 -16.101 1234 1HB ASP 63 HB2 ASP 63 -6.854 -4.072 -15.322 1235 2HB ASP 63 HB1 ASP 63 -5.354 -3.975 -14.398 1236 H GLY 64 HN GLY 64 -7.067 0.064 -14.451 1237 1HA GLY 64 HA2 GLY 64 -9.077 1.196 -14.945 1238 2HA GLY 64 HA1 GLY 64 -8.844 0.621 -16.599 1239 H ASP 65 HN ASP 65 -9.299 -1.240 -13.621 1240 HA ASP 65 HA ASP 65 -11.479 -2.761 -14.968 1241 1HB ASP 65 HB2 ASP 65 -11.218 -4.283 -12.990 1242 2HB ASP 65 HB1 ASP 65 -9.731 -4.087 -13.922 1243 H GLY 66 HN GLY 66 -11.208 -0.108 -12.914 1244 1HA GLY 66 HA2 GLY 66 -12.915 1.042 -11.737 1245 2HA GLY 66 HA1 GLY 66 -14.060 -0.180 -12.310 1246 H GLU 67 HN GLU 67 -11.566 -1.871 -11.121 1247 HA GLU 67 HA GLU 67 -12.645 -1.997 -8.321 1248 1HB GLU 67 HB2 GLU 67 -11.774 -4.218 -10.192 1249 2HB GLU 67 HB1 GLU 67 -11.909 -4.446 -8.449 1250 1HG GLU 67 HG2 GLU 67 -14.281 -3.706 -8.563 1251 2HG GLU 67 HG1 GLU 67 -14.136 -3.583 -10.317 1252 H CYS 68 HN CYS 68 -10.935 -2.677 -6.749 1253 HA CYS 68 HA CYS 68 -8.169 -2.014 -7.738 1254 1HB CYS 68 HB2 CYS 68 -9.615 -1.103 -5.252 1255 2HB CYS 68 HB1 CYS 68 -7.860 -1.048 -5.390 1256 HG CYS 68 HG CYS 68 -8.139 1.044 -6.666 1257 H ASP 69 HN ASP 69 -7.436 -4.141 -7.840 1258 HA ASP 69 HA ASP 69 -7.877 -6.207 -5.995 1259 1HB ASP 69 HB2 ASP 69 -5.128 -5.857 -7.178 1260 2HB ASP 69 HB1 ASP 69 -6.096 -7.326 -7.012 1261 H PHE 70 HN PHE 70 -5.517 -6.988 -4.732 1262 HA PHE 70 HA PHE 70 -5.486 -5.130 -2.497 1263 1HB PHE 70 HB2 PHE 70 -3.567 -6.922 -1.822 1264 2HB PHE 70 HB1 PHE 70 -5.285 -7.248 -1.635 1265 HD1 PHE 70 HD1 PHE 70 -2.563 -7.496 -4.220 1266 HD2 PHE 70 HD2 PHE 70 -6.183 -9.164 -2.626 1267 HE1 PHE 70 HE1 PHE 70 -2.390 -9.388 -5.809 1268 HE2 PHE 70 HE2 PHE 70 -6.010 -11.056 -4.216 1269 HZ PHE 70 HZ PHE 70 -4.113 -11.169 -5.808 1270 H GLN 71 HN GLN 71 -3.231 -5.820 -5.137 1271 HA GLN 71 HA GLN 71 -1.032 -4.426 -3.877 1272 1HB GLN 71 HB2 GLN 71 0.057 -4.645 -6.115 1273 2HB GLN 71 HB1 GLN 71 -0.587 -6.167 -5.528 1274 1HG GLN 71 HG2 GLN 71 -1.304 -6.126 -7.756 1275 2HG GLN 71 HG1 GLN 71 -2.718 -5.550 -6.875 1276 1HE2 GLN 71 HE21 GLN 71 -0.296 -3.129 -6.860 1277 2HE2 GLN 71 HE22 GLN 71 -0.872 -2.219 -8.169 1278 H GLU 72 HN GLU 72 -3.642 -3.554 -6.064 1279 HA GLU 72 HA GLU 72 -2.551 -0.859 -6.525 1280 1HB GLU 72 HB2 GLU 72 -3.706 -2.016 -8.336 1281 2HB GLU 72 HB1 GLU 72 -5.130 -2.240 -7.327 1282 1HG GLU 72 HG2 GLU 72 -5.286 0.314 -7.200 1283 2HG GLU 72 HG1 GLU 72 -4.055 0.357 -8.462 1284 H PHE 73 HN PHE 73 -5.186 -2.439 -4.752 1285 HA PHE 73 HA PHE 73 -6.483 -0.151 -3.771 1286 1HB PHE 73 HB2 PHE 73 -7.485 -2.293 -3.391 1287 2HB PHE 73 HB1 PHE 73 -6.041 -2.883 -2.584 1288 HD1 PHE 73 HD1 PHE 73 -7.188 -3.624 -0.624 1289 HD2 PHE 73 HD2 PHE 73 -7.450 0.492 -1.847 1290 HE1 PHE 73 HE1 PHE 73 -8.164 -3.026 1.571 1291 HE2 PHE 73 HE2 PHE 73 -8.414 1.079 0.350 1292 HZ PHE 73 HZ PHE 73 -8.782 -0.682 2.050 1293 H MET 74 HN MET 74 -3.597 -1.791 -2.541 1294 HA MET 74 HA MET 74 -3.350 -0.151 -0.206 1295 1HB MET 74 HB2 MET 74 -1.943 -2.274 -1.292 1296 2HB MET 74 HB1 MET 74 -0.805 -0.956 -1.522 1297 1HG MET 74 HG2 MET 74 -1.146 -0.372 0.921 1298 2HG MET 74 HG1 MET 74 -2.044 -1.881 1.080 1299 1HE MET 74 HE1 MET 74 0.882 -3.403 2.710 1300 2HE MET 74 HE2 MET 74 -0.859 -3.234 2.557 1301 3HE MET 74 HE3 MET 74 0.116 -1.845 3.031 1302 H ALA 75 HN ALA 75 -2.129 0.084 -3.492 1303 HA ALA 75 HA ALA 75 -0.605 2.435 -3.285 1304 1HB ALA 75 HB1 ALA 75 -2.503 2.017 -5.593 1305 2HB ALA 75 HB2 ALA 75 -1.077 1.004 -5.373 1306 3HB ALA 75 HB3 ALA 75 -0.901 2.739 -5.610 1307 H PHE 76 HN PHE 76 -4.039 2.103 -2.974 1308 HA PHE 76 HA PHE 76 -4.597 4.940 -3.418 1309 1HB PHE 76 HB2 PHE 76 -6.464 3.500 -3.778 1310 2HB PHE 76 HB1 PHE 76 -6.233 2.692 -2.240 1311 HD1 PHE 76 HD1 PHE 76 -8.060 3.121 -0.853 1312 HD2 PHE 76 HD2 PHE 76 -6.408 6.337 -3.184 1313 HE1 PHE 76 HE1 PHE 76 -9.634 4.708 0.216 1314 HE2 PHE 76 HE2 PHE 76 -7.979 7.920 -2.104 1315 HZ PHE 76 HZ PHE 76 -9.594 7.107 -0.406 1316 H VAL 77 HN VAL 77 -4.327 2.877 -0.520 1317 HA VAL 77 HA VAL 77 -4.664 4.947 1.390 1318 HB VAL 77 HB VAL 77 -2.772 2.598 1.664 1319 1HG1 VAL 77 HG11 VAL 77 -3.091 2.859 4.009 1320 2HG1 VAL 77 HG12 VAL 77 -4.451 3.952 3.772 1321 3HG1 VAL 77 HG13 VAL 77 -2.820 4.491 3.406 1322 1HG2 VAL 77 HG21 VAL 77 -4.709 1.387 2.597 1323 2HG2 VAL 77 HG22 VAL 77 -4.972 1.812 0.904 1324 3HG2 VAL 77 HG23 VAL 77 -5.752 2.746 2.181 1325 H SER 78 HN SER 78 -1.776 3.909 -0.407 1326 HA SER 78 HA SER 78 0.025 5.604 1.039 1327 1HB SER 78 HB2 SER 78 1.388 4.209 -0.113 1328 2HB SER 78 HB1 SER 78 0.165 3.896 -1.343 1329 HG SER 78 HG SER 78 2.073 5.963 -1.165 1330 H MET 79 HN MET 79 -2.093 6.128 -1.698 1331 HA MET 79 HA MET 79 -0.923 8.676 -2.408 1332 1HB MET 79 HB2 MET 79 -2.355 7.312 -3.975 1333 2HB MET 79 HB1 MET 79 -3.742 7.694 -2.958 1334 1HG MET 79 HG2 MET 79 -3.808 9.912 -3.642 1335 2HG MET 79 HG1 MET 79 -2.072 9.990 -3.932 1336 1HE MET 79 HE1 MET 79 -5.269 9.555 -6.965 1337 2HE MET 79 HE2 MET 79 -4.840 10.825 -5.818 1338 3HE MET 79 HE3 MET 79 -5.535 9.318 -5.229 1339 H VAL 80 HN VAL 80 -3.133 7.470 -0.091 1340 HA VAL 80 HA VAL 80 -4.159 10.114 0.681 1341 HB VAL 80 HB VAL 80 -4.519 7.325 1.839 1342 1HG1 VAL 80 HG11 VAL 80 -5.470 10.023 2.796 1343 2HG1 VAL 80 HG12 VAL 80 -4.705 8.732 3.718 1344 3HG1 VAL 80 HG13 VAL 80 -6.372 8.556 3.176 1345 1HG2 VAL 80 HG21 VAL 80 -5.830 7.436 -0.110 1346 2HG2 VAL 80 HG22 VAL 80 -6.201 9.143 0.113 1347 3HG2 VAL 80 HG23 VAL 80 -6.968 7.932 1.142 1348 H THR 81 HN THR 81 -1.863 7.625 1.711 1349 HA THR 81 HA THR 81 -1.198 8.993 4.175 1350 HB THR 81 HB THR 81 -0.708 6.473 3.172 1351 HG1 THR 81 HG1 THR 81 0.888 6.560 5.066 1352 1HG2 THR 81 HG21 THR 81 1.198 7.449 1.797 1353 2HG2 THR 81 HG22 THR 81 1.645 6.137 2.883 1354 3HG2 THR 81 HG23 THR 81 2.002 7.806 3.323 1355 H THR 82 HN THR 82 -0.026 9.039 0.820 1356 HA THR 82 HA THR 82 2.345 10.546 1.327 1357 HB THR 82 HB THR 82 2.026 11.255 -1.099 1358 HG1 THR 82 HG1 THR 82 0.271 10.600 -2.113 1359 1HG2 THR 82 HG21 THR 82 2.245 8.469 -0.028 1360 2HG2 THR 82 HG22 THR 82 3.383 9.399 -0.993 1361 3HG2 THR 82 HG23 THR 82 1.985 8.645 -1.765 1362 H ALA 83 HN ALA 83 -1.039 11.620 0.733 1363 HA ALA 83 HA ALA 83 -0.381 14.401 0.561 1364 1HB ALA 83 HB1 ALA 83 -2.552 13.621 -0.196 1365 2HB ALA 83 HB2 ALA 83 -2.814 14.709 1.169 1366 3HB ALA 83 HB3 ALA 83 -2.918 12.963 1.398 1367 H CYS 84 HN CYS 84 -1.389 12.301 3.264 1368 HA CYS 84 HA CYS 84 -1.380 14.351 5.267 1369 1HB CYS 84 HB2 CYS 84 -2.286 11.993 5.525 1370 2HB CYS 84 HB1 CYS 84 -0.615 11.449 5.693 1371 HG CYS 84 HG CYS 84 -0.619 13.393 7.726 1372 H HIS 85 HN HIS 85 1.142 12.906 3.493 1373 HA HIS 85 HA HIS 85 3.226 13.637 5.497 1374 1HB HIS 85 HB2 HIS 85 3.606 11.468 4.651 1375 2HB HIS 85 HB1 HIS 85 3.153 11.926 3.017 1376 HD1 HIS 85 HD1 HIS 85 5.322 11.287 1.870 1377 HD2 HIS 85 HD2 HIS 85 5.916 13.905 5.060 1378 HE1 HIS 85 HE1 HIS 85 7.734 12.020 1.747 1379 H GLU 86 HN GLU 86 2.070 14.420 2.232 1380 HA GLU 86 HA GLU 86 4.248 16.202 1.601 1381 1HB GLU 86 HB2 GLU 86 2.786 15.261 -0.146 1382 2HB GLU 86 HB1 GLU 86 1.416 16.152 0.519 1383 1HG GLU 86 HG2 GLU 86 2.475 18.273 0.014 1384 2HG GLU 86 HG1 GLU 86 3.962 17.462 -0.476 1385 H PHE 87 HN PHE 87 0.970 16.753 2.873 1386 HA PHE 87 HA PHE 87 1.253 19.607 3.094 1387 1HB PHE 87 HB2 PHE 87 -0.572 17.571 4.384 1388 2HB PHE 87 HB1 PHE 87 -0.636 19.268 4.856 1389 HD1 PHE 87 HD1 PHE 87 -0.454 17.236 1.695 1390 HD2 PHE 87 HD2 PHE 87 -2.180 20.611 3.721 1391 HE1 PHE 87 HE1 PHE 87 -1.837 17.734 -0.305 1392 HE2 PHE 87 HE2 PHE 87 -3.560 21.106 1.722 1393 HZ PHE 87 HZ PHE 87 -3.388 19.669 -0.290 1394 H PHE 88 HN PHE 88 1.830 16.931 5.367 1395 HA PHE 88 HA PHE 88 2.405 18.442 7.684 1396 1HB PHE 88 HB2 PHE 88 2.225 15.943 7.565 1397 2HB PHE 88 HB1 PHE 88 3.815 15.907 6.803 1398 HD1 PHE 88 HD1 PHE 88 5.779 15.957 8.115 1399 HD2 PHE 88 HD2 PHE 88 2.021 17.081 9.868 1400 HE1 PHE 88 HE1 PHE 88 6.848 16.048 10.350 1401 HE2 PHE 88 HE2 PHE 88 3.092 17.175 12.103 1402 HZ PHE 88 HZ PHE 88 5.505 16.656 12.344 1403 H GLU 89 HN GLU 89 4.199 18.157 4.731 1404 HA GLU 89 HA GLU 89 6.674 19.241 5.996 1405 1HB GLU 89 HB2 GLU 89 6.095 18.256 3.188 1406 2HB GLU 89 HB1 GLU 89 7.647 18.909 3.710 1407 1HG GLU 89 HG2 GLU 89 7.828 17.147 5.419 1408 2HG GLU 89 HG1 GLU 89 6.266 16.496 4.924 1409 H HIS 90 HN HIS 90 3.889 20.275 4.251 1410 HA HIS 90 HA HIS 90 4.999 22.537 2.886 1411 1HB HIS 90 HB2 HIS 90 2.241 21.873 3.927 1412 2HB HIS 90 HB1 HIS 90 2.574 23.448 3.209 1413 HD1 HIS 90 HD1 HIS 90 4.760 21.302 1.461 1414 HD2 HIS 90 HD2 HIS 90 0.635 21.904 1.291 1415 HE1 HIS 90 HE1 HIS 90 3.996 20.412 -0.785 1416 HE2 HIS 90 HE2 HIS 90 1.488 20.773 -0.898 1417 H GLU 91 HN GLU 91 6.314 23.872 4.064 1418 HA GLU 91 HA GLU 91 5.817 24.524 6.846 1419 1HB GLU 91 HB2 GLU 91 8.079 24.531 5.677 1420 2HB GLU 91 HB1 GLU 91 7.587 26.044 4.916 1421 1HG GLU 91 HG2 GLU 91 7.216 27.039 7.156 1422 2HG GLU 91 HG1 GLU 91 7.755 25.533 7.900 Start of MODEL 11 1 1H MET 0 HT1 MET 0 -7.453 7.560 12.803 2 2H MET 0 HT2 MET 0 -8.415 8.508 13.834 3 3H MET 0 HT3 MET 0 -8.989 7.012 13.273 4 HA MET 0 HA MET 0 -6.468 6.943 14.715 5 1HB MET 0 HB2 MET 0 -7.662 6.997 16.905 6 2HB MET 0 HB1 MET 0 -7.703 8.553 16.079 7 1HG MET 0 HG2 MET 0 -9.963 8.036 15.220 8 2HG MET 0 HG1 MET 0 -9.924 6.485 16.058 9 1HE MET 0 HE1 MET 0 -12.474 8.369 18.219 10 2HE MET 0 HE2 MET 0 -12.050 6.842 17.450 11 3HE MET 0 HE3 MET 0 -12.274 8.285 16.464 12 H SER 1 HN SER 1 -7.961 5.283 12.780 13 HA SER 1 HA SER 1 -8.812 2.991 14.510 14 1HB SER 1 HB2 SER 1 -9.775 2.135 12.324 15 2HB SER 1 HB1 SER 1 -10.541 3.586 12.961 16 HG SER 1 HG SER 1 -8.505 3.465 10.980 17 H GLU 2 HN GLU 2 -8.433 0.872 13.018 18 HA GLU 2 HA GLU 2 -5.706 0.199 13.163 19 1HB GLU 2 HB2 GLU 2 -7.785 -0.897 11.247 20 2HB GLU 2 HB1 GLU 2 -6.259 -1.679 11.657 21 1HG GLU 2 HG2 GLU 2 -7.018 -1.568 14.096 22 2HG GLU 2 HG1 GLU 2 -8.614 -1.144 13.474 23 H LEU 3 HN LEU 3 -7.476 1.849 10.634 24 HA LEU 3 HA LEU 3 -5.309 1.633 8.700 25 1HB LEU 3 HB2 LEU 3 -8.024 2.788 8.806 26 2HB LEU 3 HB1 LEU 3 -6.910 3.729 7.826 27 HG LEU 3 HG LEU 3 -8.235 1.897 6.622 28 1HD1 LEU 3 HD11 LEU 3 -6.430 1.393 5.139 29 2HD1 LEU 3 HD12 LEU 3 -5.232 1.614 6.409 30 3HD1 LEU 3 HD13 LEU 3 -6.117 3.002 5.781 31 1HD2 LEU 3 HD21 LEU 3 -7.544 0.246 8.634 32 2HD2 LEU 3 HD22 LEU 3 -6.196 -0.095 7.548 33 3HD2 LEU 3 HD23 LEU 3 -7.845 -0.339 7.001 34 H GLU 4 HN GLU 4 -6.174 3.887 11.243 35 HA GLU 4 HA GLU 4 -4.484 6.030 10.234 36 1HB GLU 4 HB2 GLU 4 -6.279 6.603 11.750 37 2HB GLU 4 HB1 GLU 4 -5.673 5.486 12.972 38 1HG GLU 4 HG2 GLU 4 -3.881 7.694 11.963 39 2HG GLU 4 HG1 GLU 4 -5.116 8.059 13.164 40 H LYS 5 HN LYS 5 -4.069 3.232 12.283 41 HA LYS 5 HA LYS 5 -1.485 3.973 13.357 42 1HB LYS 5 HB2 LYS 5 -2.609 1.186 12.944 43 2HB LYS 5 HB1 LYS 5 -1.362 1.665 14.098 44 1HG LYS 5 HG2 LYS 5 -2.928 2.989 15.366 45 2HG LYS 5 HG1 LYS 5 -4.172 2.793 14.134 46 1HD LYS 5 HD2 LYS 5 -3.815 0.200 14.633 47 2HD LYS 5 HD1 LYS 5 -3.183 0.806 16.162 48 1HE LYS 5 HE2 LYS 5 -5.267 2.009 16.582 49 2HE LYS 5 HE1 LYS 5 -5.896 1.519 15.011 50 1HZ LYS 5 HZ1 LYS 5 -6.785 -0.112 16.292 51 2HZ LYS 5 HZ2 LYS 5 -5.544 -0.054 17.451 52 3HZ LYS 5 HZ3 LYS 5 -5.292 -0.847 15.970 53 H ALA 6 HN ALA 6 -2.541 1.880 10.676 54 HA ALA 6 HA ALA 6 0.047 1.100 9.801 55 1HB ALA 6 HB1 ALA 6 -1.069 0.742 7.569 56 2HB ALA 6 HB2 ALA 6 -2.521 1.475 8.251 57 3HB ALA 6 HB3 ALA 6 -1.894 -0.030 8.923 58 H MET 7 HN MET 7 -1.972 3.773 8.553 59 HA MET 7 HA MET 7 -0.052 4.781 6.743 60 1HB MET 7 HB2 MET 7 -2.112 6.307 8.375 61 2HB MET 7 HB1 MET 7 -1.206 6.991 7.027 62 1HG MET 7 HG2 MET 7 -2.146 4.881 5.723 63 2HG MET 7 HG1 MET 7 -3.369 4.912 6.984 64 1HE MET 7 HE1 MET 7 -5.878 6.979 5.358 65 2HE MET 7 HE2 MET 7 -5.404 6.614 7.017 66 3HE MET 7 HE3 MET 7 -5.342 5.348 5.795 67 H VAL 8 HN VAL 8 -0.417 5.356 10.228 68 HA VAL 8 HA VAL 8 1.672 7.357 10.364 69 HB VAL 8 HB VAL 8 0.306 5.570 12.385 70 1HG1 VAL 8 HG11 VAL 8 2.767 7.269 12.786 71 2HG1 VAL 8 HG12 VAL 8 2.446 5.634 13.367 72 3HG1 VAL 8 HG13 VAL 8 1.629 7.008 14.110 73 1HG2 VAL 8 HG21 VAL 8 -0.926 7.534 11.645 74 2HG2 VAL 8 HG22 VAL 8 0.467 8.570 11.957 75 3HG2 VAL 8 HG23 VAL 8 -0.379 7.801 13.299 76 H ALA 9 HN ALA 9 1.617 3.906 11.186 77 HA ALA 9 HA ALA 9 4.306 3.535 11.841 78 1HB ALA 9 HB1 ALA 9 2.754 1.556 10.167 79 2HB ALA 9 HB2 ALA 9 2.382 1.838 11.867 80 3HB ALA 9 HB3 ALA 9 3.965 1.222 11.402 81 H LEU 10 HN LEU 10 2.858 3.711 8.575 82 HA LEU 10 HA LEU 10 5.420 3.062 7.314 83 1HB LEU 10 HB2 LEU 10 2.662 3.739 6.372 84 2HB LEU 10 HB1 LEU 10 3.983 4.041 5.245 85 HG LEU 10 HG LEU 10 4.752 1.691 5.554 86 1HD1 LEU 10 HD11 LEU 10 3.823 1.350 7.826 87 2HD1 LEU 10 HD12 LEU 10 3.272 0.098 6.714 88 3HD1 LEU 10 HD13 LEU 10 2.191 1.419 7.160 89 1HD2 LEU 10 HD21 LEU 10 3.373 2.026 3.652 90 2HD2 LEU 10 HD22 LEU 10 1.926 2.228 4.638 91 3HD2 LEU 10 HD23 LEU 10 2.661 0.634 4.469 92 H ILE 11 HN ILE 11 3.543 6.101 7.705 93 HA ILE 11 HA ILE 11 5.031 7.877 6.235 94 HB ILE 11 HB ILE 11 3.855 8.161 9.012 95 1HG1 ILE 11 HG12 ILE 11 2.511 7.846 6.738 96 2HG1 ILE 11 HG11 ILE 11 1.957 8.999 7.948 97 1HG2 ILE 11 HG21 ILE 11 5.252 10.240 7.322 98 2HG2 ILE 11 HG22 ILE 11 5.513 9.855 9.023 99 3HG2 ILE 11 HG23 ILE 11 4.038 10.682 8.521 100 1HD1 ILE 11 HD11 ILE 11 2.083 9.805 5.497 101 2HD1 ILE 11 HD12 ILE 11 3.827 9.825 5.733 102 3HD1 ILE 11 HD13 ILE 11 2.794 10.848 6.727 103 H ASP 12 HN ASP 12 5.975 6.410 9.341 104 HA ASP 12 HA ASP 12 8.373 8.047 9.587 105 1HB ASP 12 HB2 ASP 12 7.948 5.399 10.965 106 2HB ASP 12 HB1 ASP 12 8.838 6.807 11.542 107 H VAL 13 HN VAL 13 7.791 4.621 8.744 108 HA VAL 13 HA VAL 13 10.566 4.185 8.006 109 HB VAL 13 HB VAL 13 8.102 2.544 7.317 110 1HG1 VAL 13 HG11 VAL 13 10.080 0.728 7.448 111 2HG1 VAL 13 HG12 VAL 13 11.056 2.120 6.976 112 3HG1 VAL 13 HG13 VAL 13 9.720 1.592 5.953 113 1HG2 VAL 13 HG21 VAL 13 9.897 2.679 9.742 114 2HG2 VAL 13 HG22 VAL 13 9.089 1.172 9.318 115 3HG2 VAL 13 HG23 VAL 13 8.136 2.612 9.665 116 H PHE 14 HN PHE 14 7.731 5.330 6.414 117 HA PHE 14 HA PHE 14 8.553 4.825 3.702 118 1HB PHE 14 HB2 PHE 14 6.254 5.302 4.042 119 2HB PHE 14 HB1 PHE 14 6.612 6.763 4.947 120 HD1 PHE 14 HD1 PHE 14 8.350 5.929 1.750 121 HD2 PHE 14 HD2 PHE 14 5.209 8.190 3.623 122 HE1 PHE 14 HE1 PHE 14 8.106 7.287 -0.297 123 HE2 PHE 14 HE2 PHE 14 4.960 9.538 1.564 124 HZ PHE 14 HZ PHE 14 6.413 9.095 -0.394 125 H HIS 15 HN HIS 15 8.926 7.718 5.771 126 HA HIS 15 HA HIS 15 10.418 9.133 3.702 127 1HB HIS 15 HB2 HIS 15 9.101 9.823 6.102 128 2HB HIS 15 HB1 HIS 15 10.790 10.182 6.423 129 HD1 HIS 15 HD1 HIS 15 10.670 12.714 6.248 130 HD2 HIS 15 HD2 HIS 15 9.102 10.830 2.873 131 HE1 HIS 15 HE1 HIS 15 10.259 14.531 4.533 132 H GLN 16 HN GLN 16 11.280 7.361 6.661 133 HA GLN 16 HA GLN 16 13.985 7.991 6.879 134 1HB GLN 16 HB2 GLN 16 12.219 5.850 7.737 135 2HB GLN 16 HB1 GLN 16 13.788 5.168 7.323 136 1HG GLN 16 HG2 GLN 16 13.828 5.781 9.646 137 2HG GLN 16 HG1 GLN 16 14.849 6.918 8.770 138 1HE2 GLN 16 HE21 GLN 16 14.465 9.069 9.322 139 2HE2 GLN 16 HE22 GLN 16 12.988 9.681 9.894 140 H TYR 17 HN TYR 17 12.550 5.586 4.714 141 HA TYR 17 HA TYR 17 15.206 5.055 3.483 142 1HB TYR 17 HB2 TYR 17 12.465 3.831 3.163 143 2HB TYR 17 HB1 TYR 17 13.758 3.486 2.013 144 HD1 TYR 17 HD1 TYR 17 13.087 3.575 5.697 145 HD2 TYR 17 HD2 TYR 17 15.288 1.765 2.485 146 HE1 TYR 17 HE1 TYR 17 14.055 1.934 7.284 147 HE2 TYR 17 HE2 TYR 17 16.254 0.123 4.072 148 HH TYR 17 HH TYR 17 15.306 -0.828 6.537 149 H SER 18 HN SER 18 11.966 6.001 2.272 150 HA SER 18 HA SER 18 12.731 6.743 -0.312 151 1HB SER 18 HB2 SER 18 10.389 6.799 0.714 152 2HB SER 18 HB1 SER 18 10.821 8.372 1.381 153 HG SER 18 HG SER 18 10.195 7.641 -1.184 154 H GLY 19 HN GLY 19 13.337 8.361 2.733 155 1HA GLY 19 HA2 GLY 19 14.532 10.706 1.328 156 2HA GLY 19 HA1 GLY 19 14.112 10.646 3.033 157 H ARG 20 HN ARG 20 15.661 7.728 2.319 158 HA ARG 20 HA ARG 20 17.935 8.491 3.868 159 1HB ARG 20 HB2 ARG 20 18.901 6.325 3.324 160 2HB ARG 20 HB1 ARG 20 17.209 6.156 3.740 161 1HG ARG 20 HG2 ARG 20 16.775 5.163 1.736 162 2HG ARG 20 HG1 ARG 20 17.391 6.565 0.875 163 1HD ARG 20 HD2 ARG 20 18.939 4.141 1.819 164 2HD ARG 20 HD1 ARG 20 18.716 4.700 0.163 165 HE ARG 20 HE ARG 20 19.999 6.821 1.350 166 1HH1 ARG 20 HH21 ARG 20 20.520 3.417 1.214 167 2HH1 ARG 20 HH22 ARG 20 22.241 3.538 1.364 168 1HH2 ARG 20 HH11 ARG 20 22.245 7.004 1.547 169 2HH2 ARG 20 HH12 ARG 20 23.219 5.571 1.548 170 H GLU 21 HN GLU 21 17.483 8.371 0.340 171 HA GLU 21 HA GLU 21 19.770 10.178 0.067 172 1HB GLU 21 HB2 GLU 21 21.196 8.744 -1.253 173 2HB GLU 21 HB1 GLU 21 20.864 7.929 0.273 174 1HG GLU 21 HG2 GLU 21 18.939 6.747 -0.936 175 2HG GLU 21 HG1 GLU 21 19.627 7.375 -2.433 176 H GLY 22 HN GLY 22 20.194 10.726 -2.250 177 1HA GLY 22 HA2 GLY 22 19.498 11.206 -4.440 178 2HA GLY 22 HA1 GLY 22 18.290 9.941 -4.275 179 H ASP 23 HN ASP 23 16.447 10.939 -4.939 180 HA ASP 23 HA ASP 23 15.746 13.650 -4.639 181 1HB ASP 23 HB2 ASP 23 13.999 11.178 -4.801 182 2HB ASP 23 HB1 ASP 23 13.367 12.824 -4.888 183 H LYS 24 HN LYS 24 13.203 12.053 -3.122 184 HA LYS 24 HA LYS 24 14.091 12.193 -0.396 185 1HB LYS 24 HB2 LYS 24 14.160 14.584 -0.730 186 2HB LYS 24 HB1 LYS 24 12.591 14.570 -1.520 187 1HG LYS 24 HG2 LYS 24 12.444 15.418 0.803 188 2HG LYS 24 HG1 LYS 24 11.492 13.960 0.590 189 1HD LYS 24 HD2 LYS 24 12.823 13.981 2.710 190 2HD LYS 24 HD1 LYS 24 13.224 12.620 1.675 191 1HE LYS 24 HE2 LYS 24 15.291 13.564 1.035 192 2HE LYS 24 HE1 LYS 24 14.795 15.191 1.497 193 1HZ LYS 24 HZ1 LYS 24 15.475 14.861 3.569 194 2HZ LYS 24 HZ2 LYS 24 16.251 13.456 3.012 195 3HZ LYS 24 HZ3 LYS 24 14.694 13.358 3.686 196 H HIS 25 HN HIS 25 11.585 11.794 -2.793 197 HA HIS 25 HA HIS 25 9.868 10.521 -0.698 198 1HB HIS 25 HB2 HIS 25 9.261 12.930 -1.797 199 2HB HIS 25 HB1 HIS 25 8.529 11.880 -3.003 200 HD2 HIS 25 HD2 HIS 25 5.881 11.646 -2.294 201 HE1 HIS 25 HE1 HIS 25 6.386 11.324 1.869 202 HE2 HIS 25 HE2 HIS 25 4.687 11.308 -0.004 203 H LYS 26 HN LYS 26 11.742 9.256 -2.596 204 HA LYS 26 HA LYS 26 9.761 7.410 -3.799 205 1HB LYS 26 HB2 LYS 26 12.068 8.650 -5.333 206 2HB LYS 26 HB1 LYS 26 11.061 7.321 -5.913 207 1HG LYS 26 HG2 LYS 26 9.075 9.007 -5.370 208 2HG LYS 26 HG1 LYS 26 10.345 10.218 -5.527 209 1HD LYS 26 HD2 LYS 26 9.462 8.202 -7.608 210 2HD LYS 26 HD1 LYS 26 9.326 9.957 -7.692 211 1HE LYS 26 HE2 LYS 26 11.931 9.920 -7.421 212 2HE LYS 26 HE1 LYS 26 11.784 8.242 -7.939 213 1HZ LYS 26 HZ1 LYS 26 10.647 10.550 -9.417 214 2HZ LYS 26 HZ2 LYS 26 10.707 8.934 -9.936 215 3HZ LYS 26 HZ3 LYS 26 12.140 9.833 -9.779 216 H LEU 27 HN LEU 27 10.598 5.294 -4.044 217 HA LEU 27 HA LEU 27 12.936 4.780 -2.288 218 1HB LEU 27 HB2 LEU 27 10.547 3.211 -3.134 219 2HB LEU 27 HB1 LEU 27 12.024 2.278 -2.948 220 HG LEU 27 HG LEU 27 12.184 3.550 -0.606 221 1HD1 LEU 27 HD11 LEU 27 9.253 3.718 -1.308 222 2HD1 LEU 27 HD12 LEU 27 10.324 5.052 -0.887 223 3HD1 LEU 27 HD13 LEU 27 9.884 3.854 0.329 224 1HD2 LEU 27 HD21 LEU 27 10.694 1.719 0.356 225 2HD2 LEU 27 HD22 LEU 27 12.031 1.191 -0.662 226 3HD2 LEU 27 HD23 LEU 27 10.397 1.234 -1.314 227 H LYS 28 HN LYS 28 14.743 3.904 -2.958 228 HA LYS 28 HA LYS 28 15.125 3.383 -5.895 229 1HB LYS 28 HB2 LYS 28 17.261 3.999 -3.835 230 2HB LYS 28 HB1 LYS 28 17.467 3.891 -5.582 231 1HG LYS 28 HG2 LYS 28 15.702 5.752 -5.744 232 2HG LYS 28 HG1 LYS 28 15.944 5.979 -4.013 233 1HD LYS 28 HD2 LYS 28 18.218 6.591 -4.296 234 2HD LYS 28 HD1 LYS 28 18.263 6.000 -5.955 235 1HE LYS 28 HE2 LYS 28 16.694 8.380 -4.936 236 2HE LYS 28 HE1 LYS 28 18.114 8.424 -5.984 237 1HZ LYS 28 HZ1 LYS 28 16.401 6.731 -7.254 238 2HZ LYS 28 HZ2 LYS 28 16.688 8.355 -7.663 239 3HZ LYS 28 HZ3 LYS 28 15.379 7.947 -6.659 240 H LYS 29 HN LYS 29 16.486 1.512 -6.445 241 HA LYS 29 HA LYS 29 15.776 -0.875 -5.214 242 1HB LYS 29 HB2 LYS 29 18.438 -0.307 -6.552 243 2HB LYS 29 HB1 LYS 29 17.706 -1.898 -6.325 244 1HG LYS 29 HG2 LYS 29 15.672 -0.950 -7.599 245 2HG LYS 29 HG1 LYS 29 16.744 0.366 -8.078 246 1HD LYS 29 HD2 LYS 29 18.353 -1.389 -8.935 247 2HD LYS 29 HD1 LYS 29 17.085 -2.585 -8.651 248 1HE LYS 29 HE2 LYS 29 16.828 -0.137 -10.426 249 2HE LYS 29 HE1 LYS 29 17.042 -1.794 -10.994 250 1HZ LYS 29 HZ1 LYS 29 14.782 -0.857 -9.308 251 2HZ LYS 29 HZ2 LYS 29 14.973 -2.411 -9.972 252 3HZ LYS 29 HZ3 LYS 29 14.705 -1.077 -10.988 253 H SER 30 HN SER 30 18.702 1.054 -4.524 254 HA SER 30 HA SER 30 19.838 -0.600 -2.554 255 1HB SER 30 HB2 SER 30 19.716 2.411 -2.284 256 2HB SER 30 HB1 SER 30 20.994 1.325 -1.746 257 HG SER 30 HG SER 30 20.837 2.581 -4.032 258 H GLU 31 HN GLU 31 16.809 0.877 -2.530 259 HA GLU 31 HA GLU 31 16.621 0.846 0.461 260 1HB GLU 31 HB2 GLU 31 14.531 1.812 -1.506 261 2HB GLU 31 HB1 GLU 31 14.585 2.098 0.233 262 1HG GLU 31 HG2 GLU 31 16.731 3.325 -0.061 263 2HG GLU 31 HG1 GLU 31 16.583 3.115 -1.804 264 H LEU 32 HN LEU 32 15.283 -0.639 -2.456 265 HA LEU 32 HA LEU 32 13.299 -2.203 -1.091 266 1HB LEU 32 HB2 LEU 32 14.639 -2.295 -3.764 267 2HB LEU 32 HB1 LEU 32 13.901 -3.790 -3.216 268 HG LEU 32 HG LEU 32 12.495 -2.132 -4.651 269 1HD1 LEU 32 HD11 LEU 32 11.435 -3.351 -2.093 270 2HD1 LEU 32 HD12 LEU 32 11.549 -4.134 -3.672 271 3HD1 LEU 32 HD13 LEU 32 10.431 -2.791 -3.431 272 1HD2 LEU 32 HD21 LEU 32 13.116 -0.262 -2.853 273 2HD2 LEU 32 HD22 LEU 32 11.690 -0.904 -2.036 274 3HD2 LEU 32 HD23 LEU 32 11.561 -0.267 -3.674 275 H LYS 33 HN LYS 33 16.480 -3.186 -2.382 276 HA LYS 33 HA LYS 33 16.608 -5.682 -1.059 277 1HB LYS 33 HB2 LYS 33 18.044 -4.750 -2.944 278 2HB LYS 33 HB1 LYS 33 18.943 -3.881 -1.704 279 1HG LYS 33 HG2 LYS 33 19.308 -6.122 -0.556 280 2HG LYS 33 HG1 LYS 33 18.645 -6.879 -2.007 281 1HD LYS 33 HD2 LYS 33 20.894 -6.870 -2.592 282 2HD LYS 33 HD1 LYS 33 20.424 -5.292 -3.226 283 1HE LYS 33 HE2 LYS 33 21.148 -4.276 -1.039 284 2HE LYS 33 HE1 LYS 33 21.755 -5.858 -0.556 285 1HZ LYS 33 HZ1 LYS 33 23.013 -3.934 -2.148 286 2HZ LYS 33 HZ2 LYS 33 22.714 -5.293 -3.121 287 3HZ LYS 33 HZ3 LYS 33 23.600 -5.456 -1.680 288 H GLU 34 HN GLU 34 17.486 -2.425 0.017 289 HA GLU 34 HA GLU 34 18.712 -3.429 2.492 290 1HB GLU 34 HB2 GLU 34 19.456 -1.337 1.342 291 2HB GLU 34 HB1 GLU 34 17.927 -0.590 1.811 292 1HG GLU 34 HG2 GLU 34 18.449 -0.917 4.167 293 2HG GLU 34 HG1 GLU 34 19.923 -1.793 3.747 294 H LEU 35 HN LEU 35 15.635 -1.920 1.583 295 HA LEU 35 HA LEU 35 14.676 -1.783 4.329 296 1HB LEU 35 HB2 LEU 35 13.739 -0.353 2.496 297 2HB LEU 35 HB1 LEU 35 13.096 -1.806 1.734 298 HG LEU 35 HG LEU 35 11.904 -2.214 4.033 299 1HD1 LEU 35 HD11 LEU 35 12.552 0.737 4.185 300 2HD1 LEU 35 HD12 LEU 35 13.032 -0.505 5.338 301 3HD1 LEU 35 HD13 LEU 35 11.335 -0.062 5.172 302 1HD2 LEU 35 HD21 LEU 35 11.034 0.095 2.270 303 2HD2 LEU 35 HD22 LEU 35 9.992 -0.883 3.305 304 3HD2 LEU 35 HD23 LEU 35 10.770 -1.610 1.901 305 H ILE 36 HN ILE 36 14.617 -4.099 1.717 306 HA ILE 36 HA ILE 36 12.694 -5.878 2.928 307 HB ILE 36 HB ILE 36 14.738 -6.217 0.737 308 1HG1 ILE 36 HG12 ILE 36 11.712 -6.300 0.592 309 2HG1 ILE 36 HG11 ILE 36 12.594 -4.782 0.482 310 1HG2 ILE 36 HG21 ILE 36 12.734 -8.186 1.852 311 2HG2 ILE 36 HG22 ILE 36 14.474 -8.404 1.695 312 3HG2 ILE 36 HG23 ILE 36 13.460 -8.345 0.255 313 1HD1 ILE 36 HD11 ILE 36 12.265 -5.515 -1.769 314 2HD1 ILE 36 HD12 ILE 36 12.753 -7.160 -1.377 315 3HD1 ILE 36 HD13 ILE 36 13.951 -5.866 -1.401 316 H ASN 37 HN ASN 37 16.240 -5.712 2.878 317 HA ASN 37 HA ASN 37 16.514 -8.121 4.521 318 1HB ASN 37 HB2 ASN 37 18.606 -6.055 3.792 319 2HB ASN 37 HB1 ASN 37 18.902 -7.686 4.396 320 1HD2 ASN 37 HD21 ASN 37 20.069 -7.148 1.972 321 2HD2 ASN 37 HD22 ASN 37 19.215 -7.891 0.705 322 H ASN 38 HN ASN 38 16.328 -4.676 5.097 323 HA ASN 38 HA ASN 38 17.361 -4.998 7.872 324 1HB ASN 38 HB2 ASN 38 16.448 -2.515 6.397 325 2HB ASN 38 HB1 ASN 38 17.201 -2.544 7.991 326 1HD2 ASN 38 HD21 ASN 38 19.184 -1.492 7.423 327 2HD2 ASN 38 HD22 ASN 38 20.300 -2.159 6.334 328 H GLU 39 HN GLU 39 14.342 -3.938 6.266 329 HA GLU 39 HA GLU 39 12.994 -3.917 8.932 330 1HB GLU 39 HB2 GLU 39 12.786 -2.045 7.136 331 2HB GLU 39 HB1 GLU 39 11.706 -3.163 6.305 332 1HG GLU 39 HG2 GLU 39 10.320 -1.783 7.696 333 2HG GLU 39 HG1 GLU 39 10.412 -3.356 8.485 334 H LEU 40 HN LEU 40 11.984 -4.998 5.671 335 HA LEU 40 HA LEU 40 10.223 -7.012 6.833 336 1HB LEU 40 HB2 LEU 40 10.997 -7.080 3.931 337 2HB LEU 40 HB1 LEU 40 9.427 -7.354 4.674 338 HG LEU 40 HG LEU 40 10.814 -4.666 4.403 339 1HD1 LEU 40 HD11 LEU 40 8.678 -4.262 2.992 340 2HD1 LEU 40 HD12 LEU 40 8.574 -6.021 2.916 341 3HD1 LEU 40 HD13 LEU 40 9.993 -5.191 2.275 342 1HD2 LEU 40 HD21 LEU 40 8.222 -5.527 5.705 343 2HD2 LEU 40 HD22 LEU 40 8.502 -3.864 5.183 344 3HD2 LEU 40 HD23 LEU 40 9.536 -4.587 6.416 345 H SER 41 HN SER 41 12.929 -7.331 7.672 346 HA SER 41 HA SER 41 14.056 -9.556 6.114 347 1HB SER 41 HB2 SER 41 15.233 -8.974 8.766 348 2HB SER 41 HB1 SER 41 16.004 -9.014 7.183 349 HG SER 41 HG SER 41 14.929 -6.920 8.600 350 H HIS 42 HN HIS 42 11.878 -9.147 8.765 351 HA HIS 42 HA HIS 42 12.376 -11.911 9.769 352 1HB HIS 42 HB2 HIS 42 10.557 -11.087 11.470 353 2HB HIS 42 HB1 HIS 42 12.196 -10.450 11.595 354 HD1 HIS 42 HD1 HIS 42 9.280 -9.469 9.323 355 HD2 HIS 42 HD2 HIS 42 11.931 -7.743 12.043 356 HE1 HIS 42 HE1 HIS 42 8.790 -6.982 9.324 357 HE2 HIS 42 HE2 HIS 42 10.397 -5.922 10.975 358 H PHE 43 HN PHE 43 10.036 -9.972 8.004 359 HA PHE 43 HA PHE 43 8.086 -12.232 8.022 360 1HB PHE 43 HB2 PHE 43 7.927 -9.290 7.630 361 2HB PHE 43 HB1 PHE 43 6.916 -10.217 6.525 362 HD1 PHE 43 HD1 PHE 43 7.907 -10.543 10.139 363 HD2 PHE 43 HD2 PHE 43 4.707 -10.395 7.276 364 HE1 PHE 43 HE1 PHE 43 6.259 -10.897 11.958 365 HE2 PHE 43 HE2 PHE 43 3.063 -10.750 9.094 366 HZ PHE 43 HZ PHE 43 3.838 -11.001 11.435 367 H LEU 44 HN LEU 44 9.403 -9.952 5.567 368 HA LEU 44 HA LEU 44 8.910 -11.908 3.472 369 1HB LEU 44 HB2 LEU 44 8.790 -9.509 2.963 370 2HB LEU 44 HB1 LEU 44 10.473 -9.309 3.433 371 HG LEU 44 HG LEU 44 11.212 -10.715 1.590 372 1HD1 LEU 44 HD11 LEU 44 8.259 -11.237 1.286 373 2HD1 LEU 44 HD12 LEU 44 9.596 -12.388 1.296 374 3HD1 LEU 44 HD13 LEU 44 9.324 -11.371 -0.115 375 1HD2 LEU 44 HD21 LEU 44 10.799 -9.194 -0.158 376 2HD2 LEU 44 HD22 LEU 44 10.480 -8.216 1.271 377 3HD2 LEU 44 HD23 LEU 44 9.139 -8.900 0.355 378 H GLU 45 HN GLU 45 10.418 -13.347 2.601 379 HA GLU 45 HA GLU 45 12.544 -14.286 4.143 380 1HB GLU 45 HB2 GLU 45 12.240 -14.341 1.128 381 2HB GLU 45 HB1 GLU 45 13.416 -15.304 2.026 382 1HG GLU 45 HG2 GLU 45 11.511 -16.258 3.363 383 2HG GLU 45 HG1 GLU 45 10.400 -15.420 2.280 384 H GLU 46 HN GLU 46 14.662 -13.715 4.440 385 HA GLU 46 HA GLU 46 15.523 -11.064 3.881 386 1HB GLU 46 HB2 GLU 46 16.481 -12.489 5.679 387 2HB GLU 46 HB1 GLU 46 17.245 -13.498 4.449 388 1HG GLU 46 HG2 GLU 46 18.611 -11.671 3.683 389 2HG GLU 46 HG1 GLU 46 17.719 -10.517 4.673 390 H ILE 47 HN ILE 47 15.585 -10.418 1.762 391 HA ILE 47 HA ILE 47 16.529 -12.155 -0.370 392 HB ILE 47 HB ILE 47 15.545 -9.337 -0.116 393 1HG1 ILE 47 HG12 ILE 47 14.963 -11.528 -2.130 394 2HG1 ILE 47 HG11 ILE 47 14.079 -11.308 -0.627 395 1HG2 ILE 47 HG21 ILE 47 17.297 -10.297 -2.375 396 2HG2 ILE 47 HG22 ILE 47 17.438 -8.813 -1.433 397 3HG2 ILE 47 HG23 ILE 47 16.122 -8.998 -2.588 398 1HD1 ILE 47 HD11 ILE 47 12.805 -9.676 -1.530 399 2HD1 ILE 47 HD12 ILE 47 13.496 -10.106 -3.090 400 3HD1 ILE 47 HD13 ILE 47 14.216 -8.807 -2.141 401 H LYS 48 HN LYS 48 18.586 -12.441 -1.012 402 HA LYS 48 HA LYS 48 20.710 -10.620 0.085 403 1HB LYS 48 HB2 LYS 48 20.692 -13.061 0.821 404 2HB LYS 48 HB1 LYS 48 21.065 -13.475 -0.852 405 1HG LYS 48 HG2 LYS 48 23.079 -12.035 -0.750 406 2HG LYS 48 HG1 LYS 48 22.718 -11.670 0.937 407 1HD LYS 48 HD2 LYS 48 22.995 -13.987 1.569 408 2HD LYS 48 HD1 LYS 48 23.142 -14.477 -0.120 409 1HE LYS 48 HE2 LYS 48 25.048 -12.518 1.178 410 2HE LYS 48 HE1 LYS 48 25.339 -14.258 1.157 411 1HZ LYS 48 HZ1 LYS 48 25.480 -14.284 -1.152 412 2HZ LYS 48 HZ2 LYS 48 26.330 -12.880 -0.714 413 3HZ LYS 48 HZ3 LYS 48 24.746 -12.765 -1.321 414 H GLU 49 HN GLU 49 19.335 -12.092 -2.765 415 HA GLU 49 HA GLU 49 21.568 -11.104 -4.471 416 1HB GLU 49 HB2 GLU 49 19.119 -12.764 -5.154 417 2HB GLU 49 HB1 GLU 49 20.402 -12.330 -6.285 418 1HG GLU 49 HG2 GLU 49 20.846 -13.884 -3.721 419 2HG GLU 49 HG1 GLU 49 20.684 -14.621 -5.316 420 H GLN 50 HN GLN 50 21.040 -9.759 -6.349 421 HA GLN 50 HA GLN 50 18.876 -7.820 -5.716 422 1HB GLN 50 HB2 GLN 50 20.959 -7.629 -7.904 423 2HB GLN 50 HB1 GLN 50 20.009 -6.321 -7.200 424 1HG GLN 50 HG2 GLN 50 21.129 -6.682 -5.025 425 2HG GLN 50 HG1 GLN 50 22.092 -7.975 -5.742 426 1HE2 GLN 50 HE21 GLN 50 24.156 -6.931 -5.636 427 2HE2 GLN 50 HE22 GLN 50 24.513 -5.510 -6.494 428 H GLU 51 HN GLU 51 19.793 -10.202 -8.135 429 HA GLU 51 HA GLU 51 18.180 -9.440 -10.278 430 1HB GLU 51 HB2 GLU 51 18.929 -12.179 -9.245 431 2HB GLU 51 HB1 GLU 51 18.014 -11.953 -10.736 432 1HG GLU 51 HG2 GLU 51 19.812 -10.536 -11.641 433 2HG GLU 51 HG1 GLU 51 20.732 -10.739 -10.149 434 H VAL 52 HN VAL 52 17.203 -10.767 -7.191 435 HA VAL 52 HA VAL 52 14.514 -11.414 -8.125 436 HB VAL 52 HB VAL 52 14.004 -11.687 -5.715 437 1HG1 VAL 52 HG11 VAL 52 16.702 -12.861 -6.458 438 2HG1 VAL 52 HG12 VAL 52 15.147 -13.519 -6.966 439 3HG1 VAL 52 HG13 VAL 52 15.583 -13.504 -5.257 440 1HG2 VAL 52 HG21 VAL 52 16.067 -11.401 -4.168 441 2HG2 VAL 52 HG22 VAL 52 15.216 -9.940 -4.668 442 3HG2 VAL 52 HG23 VAL 52 16.723 -10.397 -5.459 443 H VAL 53 HN VAL 53 16.140 -8.742 -6.519 444 HA VAL 53 HA VAL 53 13.744 -7.180 -6.177 445 HB VAL 53 HB VAL 53 16.432 -6.921 -5.419 446 1HG1 VAL 53 HG11 VAL 53 17.253 -4.820 -6.263 447 2HG1 VAL 53 HG12 VAL 53 15.784 -4.569 -7.205 448 3HG1 VAL 53 HG13 VAL 53 16.905 -5.858 -7.647 449 1HG2 VAL 53 HG21 VAL 53 14.173 -4.917 -5.289 450 2HG2 VAL 53 HG22 VAL 53 15.682 -4.760 -4.387 451 3HG2 VAL 53 HG23 VAL 53 14.605 -6.121 -4.073 452 H ASP 54 HN ASP 54 15.789 -7.993 -8.826 453 HA ASP 54 HA ASP 54 14.881 -5.785 -10.531 454 1HB ASP 54 HB2 ASP 54 16.286 -8.399 -11.170 455 2HB ASP 54 HB1 ASP 54 15.892 -7.178 -12.377 456 H LYS 55 HN LYS 55 14.013 -9.136 -9.863 457 HA LYS 55 HA LYS 55 11.980 -9.287 -11.947 458 1HB LYS 55 HB2 LYS 55 12.702 -11.411 -11.245 459 2HB LYS 55 HB1 LYS 55 12.751 -10.940 -9.553 460 1HG LYS 55 HG2 LYS 55 10.287 -10.946 -9.448 461 2HG LYS 55 HG1 LYS 55 10.207 -11.351 -11.165 462 1HD LYS 55 HD2 LYS 55 11.101 -13.504 -10.799 463 2HD LYS 55 HD1 LYS 55 11.716 -13.069 -9.203 464 1HE LYS 55 HE2 LYS 55 9.448 -12.889 -8.334 465 2HE LYS 55 HE1 LYS 55 8.779 -13.211 -9.932 466 1HZ LYS 55 HZ1 LYS 55 10.429 -15.295 -9.597 467 2HZ LYS 55 HZ2 LYS 55 8.770 -15.320 -9.228 468 3HZ LYS 55 HZ3 LYS 55 9.910 -15.040 -8.002 469 H VAL 56 HN VAL 56 11.773 -9.067 -8.372 470 HA VAL 56 HA VAL 56 9.045 -8.655 -8.102 471 HB VAL 56 HB VAL 56 11.044 -8.656 -6.340 472 1HG1 VAL 56 HG11 VAL 56 10.303 -5.719 -6.383 473 2HG1 VAL 56 HG12 VAL 56 11.784 -6.347 -7.100 474 3HG1 VAL 56 HG13 VAL 56 11.507 -6.512 -5.368 475 1HG2 VAL 56 HG21 VAL 56 8.439 -7.165 -5.877 476 2HG2 VAL 56 HG22 VAL 56 9.446 -7.895 -4.627 477 3HG2 VAL 56 HG23 VAL 56 8.638 -8.916 -5.813 478 H MET 57 HN MET 57 11.475 -6.181 -8.915 479 HA MET 57 HA MET 57 9.634 -3.989 -9.095 480 1HB MET 57 HB2 MET 57 12.395 -4.492 -9.745 481 2HB MET 57 HB1 MET 57 11.664 -3.758 -11.159 482 1HG MET 57 HG2 MET 57 12.575 -2.033 -9.692 483 2HG MET 57 HG1 MET 57 10.821 -1.910 -9.733 484 1HE MET 57 HE1 MET 57 13.375 -1.248 -6.950 485 2HE MET 57 HE2 MET 57 11.816 -0.692 -6.341 486 3HE MET 57 HE3 MET 57 12.234 -0.429 -8.031 487 H GLU 58 HN GLU 58 10.554 -6.529 -11.387 488 HA GLU 58 HA GLU 58 9.127 -5.498 -13.648 489 1HB GLU 58 HB2 GLU 58 10.839 -7.421 -13.595 490 2HB GLU 58 HB1 GLU 58 9.503 -8.441 -13.051 491 1HG GLU 58 HG2 GLU 58 9.517 -8.684 -15.415 492 2HG GLU 58 HG1 GLU 58 8.214 -7.540 -15.093 493 H THR 59 HN THR 59 8.146 -7.327 -10.843 494 HA THR 59 HA THR 59 5.473 -7.872 -11.962 495 HB THR 59 HB THR 59 6.723 -8.437 -9.261 496 HG1 THR 59 HG1 THR 59 7.319 -9.589 -11.304 497 1HG2 THR 59 HG21 THR 59 3.988 -9.035 -10.391 498 2HG2 THR 59 HG22 THR 59 4.379 -8.219 -8.875 499 3HG2 THR 59 HG23 THR 59 4.678 -9.950 -9.052 500 H LEU 60 HN LEU 60 7.027 -5.589 -9.787 501 HA LEU 60 HA LEU 60 4.372 -4.480 -9.031 502 1HB LEU 60 HB2 LEU 60 6.110 -5.118 -7.286 503 2HB LEU 60 HB1 LEU 60 7.076 -3.772 -7.890 504 HG LEU 60 HG LEU 60 5.098 -2.295 -7.536 505 1HD1 LEU 60 HD11 LEU 60 3.093 -3.296 -7.148 506 2HD1 LEU 60 HD12 LEU 60 3.668 -3.659 -5.523 507 3HD1 LEU 60 HD13 LEU 60 3.849 -4.850 -6.801 508 1HD2 LEU 60 HD21 LEU 60 6.956 -2.338 -5.950 509 2HD2 LEU 60 HD22 LEU 60 6.236 -3.716 -5.115 510 3HD2 LEU 60 HD23 LEU 60 5.438 -2.146 -5.073 511 H ASP 61 HN ASP 61 7.504 -3.491 -10.535 512 HA ASP 61 HA ASP 61 6.912 -0.728 -10.753 513 1HB ASP 61 HB2 ASP 61 9.090 -1.895 -11.265 514 2HB ASP 61 HB1 ASP 61 8.382 -2.363 -12.810 515 H GLU 62 HN GLU 62 4.911 -0.188 -11.406 516 HA GLU 62 HA GLU 62 3.767 -1.421 -13.842 517 1HB GLU 62 HB2 GLU 62 2.708 0.481 -11.744 518 2HB GLU 62 HB1 GLU 62 1.832 0.187 -13.248 519 1HG GLU 62 HG2 GLU 62 1.765 -2.220 -12.760 520 2HG GLU 62 HG1 GLU 62 2.683 -1.959 -11.277 521 H ASP 63 HN ASP 63 5.203 1.532 -12.670 522 HA ASP 63 HA ASP 63 4.613 2.990 -15.154 523 1HB ASP 63 HB2 ASP 63 6.622 3.811 -13.046 524 2HB ASP 63 HB1 ASP 63 5.670 4.840 -14.116 525 H GLY 64 HN GLY 64 6.724 0.572 -14.202 526 1HA GLY 64 HA2 GLY 64 8.684 -0.282 -15.193 527 2HA GLY 64 HA1 GLY 64 8.228 0.640 -16.627 528 H ASP 65 HN ASP 65 8.985 1.830 -13.362 529 HA ASP 65 HA ASP 65 11.047 3.623 -14.608 530 1HB ASP 65 HB2 ASP 65 10.827 4.903 -12.467 531 2HB ASP 65 HB1 ASP 65 9.324 4.811 -13.386 532 H GLY 66 HN GLY 66 10.830 0.752 -12.871 533 1HA GLY 66 HA2 GLY 66 12.555 -0.519 -11.864 534 2HA GLY 66 HA1 GLY 66 13.696 0.742 -12.350 535 H GLU 67 HN GLU 67 11.232 2.288 -10.896 536 HA GLU 67 HA GLU 67 12.384 2.100 -8.136 537 1HB GLU 67 HB2 GLU 67 11.634 4.554 -9.752 538 2HB GLU 67 HB1 GLU 67 11.810 4.589 -7.996 539 1HG GLU 67 HG2 GLU 67 14.127 3.670 -8.266 540 2HG GLU 67 HG1 GLU 67 13.940 3.824 -10.013 541 H CYS 68 HN CYS 68 10.724 2.883 -6.499 542 HA CYS 68 HA CYS 68 7.924 2.386 -7.478 543 1HB CYS 68 HB2 CYS 68 9.218 1.388 -4.927 544 2HB CYS 68 HB1 CYS 68 7.509 1.227 -5.324 545 HG CYS 68 HG CYS 68 9.330 -0.812 -6.113 546 H ASP 69 HN ASP 69 7.277 4.541 -7.459 547 HA ASP 69 HA ASP 69 7.875 6.467 -5.485 548 1HB ASP 69 HB2 ASP 69 5.103 6.457 -6.646 549 2HB ASP 69 HB1 ASP 69 6.247 7.791 -6.484 550 H PHE 70 HN PHE 70 5.358 7.261 -4.308 551 HA PHE 70 HA PHE 70 5.323 5.405 -2.090 552 1HB PHE 70 HB2 PHE 70 3.264 6.981 -1.491 553 2HB PHE 70 HB1 PHE 70 4.921 7.561 -1.354 554 HD1 PHE 70 HD1 PHE 70 5.770 9.274 -2.775 555 HD2 PHE 70 HD2 PHE 70 1.921 7.548 -3.555 556 HE1 PHE 70 HE1 PHE 70 5.323 11.033 -4.466 557 HE2 PHE 70 HE2 PHE 70 1.469 9.306 -5.240 558 HZ PHE 70 HZ PHE 70 3.170 11.050 -5.694 559 H GLN 71 HN GLN 71 2.943 6.196 -4.636 560 HA GLN 71 HA GLN 71 0.911 4.489 -3.637 561 1HB GLN 71 HB2 GLN 71 0.071 4.518 -6.073 562 2HB GLN 71 HB1 GLN 71 0.171 6.059 -5.232 563 1HG GLN 71 HG2 GLN 71 1.084 6.319 -7.463 564 2HG GLN 71 HG1 GLN 71 2.403 6.441 -6.301 565 1HE2 GLN 71 HE21 GLN 71 0.705 3.671 -7.887 566 2HE2 GLN 71 HE22 GLN 71 2.131 2.899 -8.389 567 H GLU 72 HN GLU 72 3.752 3.775 -5.581 568 HA GLU 72 HA GLU 72 2.778 1.021 -6.068 569 1HB GLU 72 HB2 GLU 72 3.956 2.266 -7.871 570 2HB GLU 72 HB1 GLU 72 5.384 2.368 -6.844 571 1HG GLU 72 HG2 GLU 72 5.512 -0.102 -6.780 572 2HG GLU 72 HG1 GLU 72 4.093 -0.196 -7.826 573 H PHE 73 HN PHE 73 5.312 2.767 -4.296 574 HA PHE 73 HA PHE 73 6.671 0.534 -3.268 575 1HB PHE 73 HB2 PHE 73 7.600 2.711 -2.878 576 2HB PHE 73 HB1 PHE 73 6.131 3.253 -2.085 577 HD1 PHE 73 HD1 PHE 73 6.855 3.858 0.060 578 HD2 PHE 73 HD2 PHE 73 7.993 0.029 -1.536 579 HE1 PHE 73 HE1 PHE 73 7.817 3.222 2.245 580 HE2 PHE 73 HE2 PHE 73 8.950 -0.594 0.654 581 HZ PHE 73 HZ PHE 73 8.884 1.017 2.534 582 H MET 74 HN MET 74 3.754 2.151 -2.056 583 HA MET 74 HA MET 74 3.473 0.502 0.266 584 1HB MET 74 HB2 MET 74 2.116 2.632 -0.563 585 2HB MET 74 HB1 MET 74 1.077 1.436 -1.324 586 1HG MET 74 HG2 MET 74 0.001 1.271 0.678 587 2HG MET 74 HG1 MET 74 1.429 0.461 1.305 588 1HE MET 74 HE1 MET 74 -0.158 3.296 3.756 589 2HE MET 74 HE2 MET 74 -0.010 1.554 3.535 590 3HE MET 74 HE3 MET 74 -0.994 2.498 2.417 591 H ALA 75 HN ALA 75 2.315 0.268 -3.047 592 HA ALA 75 HA ALA 75 0.940 -2.195 -2.897 593 1HB ALA 75 HB1 ALA 75 1.266 -0.638 -4.942 594 2HB ALA 75 HB2 ALA 75 1.150 -2.371 -5.238 595 3HB ALA 75 HB3 ALA 75 2.722 -1.579 -5.252 596 H PHE 76 HN PHE 76 4.310 -1.639 -2.446 597 HA PHE 76 HA PHE 76 5.156 -4.358 -3.120 598 1HB PHE 76 HB2 PHE 76 6.774 -2.457 -3.096 599 2HB PHE 76 HB1 PHE 76 6.553 -2.328 -1.351 600 HD1 PHE 76 HD1 PHE 76 7.122 -4.320 0.121 601 HD2 PHE 76 HD2 PHE 76 8.265 -4.076 -4.014 602 HE1 PHE 76 HE1 PHE 76 8.819 -6.087 0.482 603 HE2 PHE 76 HE2 PHE 76 9.963 -5.844 -3.644 604 HZ PHE 76 HZ PHE 76 10.242 -6.848 -1.391 605 H VAL 77 HN VAL 77 4.786 -2.633 -0.004 606 HA VAL 77 HA VAL 77 5.084 -4.890 1.680 607 HB VAL 77 HB VAL 77 3.335 -2.430 2.006 608 1HG1 VAL 77 HG11 VAL 77 3.565 -3.064 4.482 609 2HG1 VAL 77 HG12 VAL 77 4.066 -4.656 3.909 610 3HG1 VAL 77 HG13 VAL 77 2.464 -4.038 3.509 611 1HG2 VAL 77 HG21 VAL 77 5.974 -3.037 3.350 612 2HG2 VAL 77 HG22 VAL 77 5.152 -1.484 3.190 613 3HG2 VAL 77 HG23 VAL 77 5.900 -2.233 1.781 614 H SER 78 HN SER 78 2.366 -3.714 -0.162 615 HA SER 78 HA SER 78 0.300 -5.316 0.954 616 1HB SER 78 HB2 SER 78 0.110 -3.342 -0.658 617 2HB SER 78 HB1 SER 78 0.509 -4.478 -1.937 618 HG SER 78 HG SER 78 -1.320 -5.688 -0.592 619 H MET 79 HN MET 79 2.684 -5.912 -1.566 620 HA MET 79 HA MET 79 1.569 -8.448 -2.367 621 1HB MET 79 HB2 MET 79 3.030 -7.119 -3.867 622 2HB MET 79 HB1 MET 79 4.374 -7.363 -2.754 623 1HG MET 79 HG2 MET 79 4.739 -9.516 -3.471 624 2HG MET 79 HG1 MET 79 3.016 -9.874 -3.594 625 1HE MET 79 HE1 MET 79 6.229 -9.307 -5.602 626 2HE MET 79 HE2 MET 79 5.825 -7.724 -4.940 627 3HE MET 79 HE3 MET 79 5.794 -7.977 -6.683 628 H VAL 80 HN VAL 80 3.682 -7.348 0.114 629 HA VAL 80 HA VAL 80 4.642 -10.041 0.788 630 HB VAL 80 HB VAL 80 4.914 -7.382 2.239 631 1HG1 VAL 80 HG11 VAL 80 6.191 -10.091 2.723 632 2HG1 VAL 80 HG12 VAL 80 5.103 -9.229 3.810 633 3HG1 VAL 80 HG13 VAL 80 6.716 -8.593 3.495 634 1HG2 VAL 80 HG21 VAL 80 6.818 -8.944 0.476 635 2HG2 VAL 80 HG22 VAL 80 7.277 -7.542 1.440 636 3HG2 VAL 80 HG23 VAL 80 6.116 -7.364 0.125 637 H THR 81 HN THR 81 2.358 -7.563 1.853 638 HA THR 81 HA THR 81 1.495 -8.998 4.194 639 HB THR 81 HB THR 81 -0.032 -7.009 2.489 640 HG1 THR 81 HG1 THR 81 1.970 -6.230 3.281 641 1HG2 THR 81 HG21 THR 81 -1.114 -6.569 4.782 642 2HG2 THR 81 HG22 THR 81 -0.425 -8.118 5.263 643 3HG2 THR 81 HG23 THR 81 -1.584 -8.043 3.937 644 H THR 82 HN THR 82 0.479 -8.928 0.747 645 HA THR 82 HA THR 82 -1.854 -10.524 1.142 646 HB THR 82 HB THR 82 -1.573 -10.999 -1.309 647 HG1 THR 82 HG1 THR 82 0.330 -10.708 -2.084 648 1HG2 THR 82 HG21 THR 82 -1.403 -8.308 -1.711 649 2HG2 THR 82 HG22 THR 82 -1.752 -8.333 0.017 650 3HG2 THR 82 HG23 THR 82 -2.858 -9.107 -1.118 651 H ALA 83 HN ALA 83 1.564 -11.488 0.451 652 HA ALA 83 HA ALA 83 1.013 -14.231 0.014 653 1HB ALA 83 HB1 ALA 83 3.422 -12.883 1.281 654 2HB ALA 83 HB2 ALA 83 3.224 -13.282 -0.426 655 3HB ALA 83 HB3 ALA 83 3.379 -14.569 0.768 656 H CYS 84 HN CYS 84 1.703 -12.412 3.004 657 HA CYS 84 HA CYS 84 1.468 -14.717 4.736 658 1HB CYS 84 HB2 CYS 84 1.187 -11.740 5.218 659 2HB CYS 84 HB1 CYS 84 1.011 -12.926 6.511 660 HG CYS 84 HG CYS 84 3.656 -12.384 4.954 661 H HIS 85 HN HIS 85 -0.774 -13.047 2.876 662 HA HIS 85 HA HIS 85 -3.093 -13.747 4.627 663 1HB HIS 85 HB2 HIS 85 -2.757 -11.433 3.500 664 2HB HIS 85 HB1 HIS 85 -3.184 -12.246 2.000 665 HD1 HIS 85 HD1 HIS 85 -4.823 -10.096 3.992 666 HD2 HIS 85 HD2 HIS 85 -5.738 -14.040 3.051 667 HE1 HIS 85 HE1 HIS 85 -7.293 -10.379 4.423 668 H GLU 86 HN GLU 86 -1.784 -14.222 1.351 669 HA GLU 86 HA GLU 86 -3.897 -15.977 0.479 670 1HB GLU 86 HB2 GLU 86 -2.519 -14.805 -1.147 671 2HB GLU 86 HB1 GLU 86 -1.062 -15.564 -0.512 672 1HG GLU 86 HG2 GLU 86 -1.890 -16.637 -2.614 673 2HG GLU 86 HG1 GLU 86 -1.819 -17.757 -1.258 674 H PHE 87 HN PHE 87 -0.719 -16.508 1.949 675 HA PHE 87 HA PHE 87 -0.597 -19.329 1.662 676 1HB PHE 87 HB2 PHE 87 1.226 -17.765 2.524 677 2HB PHE 87 HB1 PHE 87 0.396 -17.798 4.080 678 HD1 PHE 87 HD1 PHE 87 2.571 -19.600 1.796 679 HD2 PHE 87 HD2 PHE 87 0.069 -20.000 5.265 680 HE1 PHE 87 HE1 PHE 87 3.672 -21.754 2.342 681 HE2 PHE 87 HE2 PHE 87 1.173 -22.153 5.812 682 HZ PHE 87 HZ PHE 87 2.975 -23.030 4.350 683 H PHE 88 HN PHE 88 -1.703 -17.492 4.543 684 HA PHE 88 HA PHE 88 -2.782 -19.791 5.872 685 1HB PHE 88 HB2 PHE 88 -2.280 -17.479 6.870 686 2HB PHE 88 HB1 PHE 88 -3.821 -16.965 6.184 687 HD1 PHE 88 HD1 PHE 88 -5.914 -17.667 7.130 688 HD2 PHE 88 HD2 PHE 88 -2.212 -19.292 8.582 689 HE1 PHE 88 HE1 PHE 88 -7.110 -18.662 9.063 690 HE2 PHE 88 HE2 PHE 88 -3.405 -20.286 10.514 691 HZ PHE 88 HZ PHE 88 -5.855 -19.972 10.756 692 H GLU 89 HN GLU 89 -4.086 -17.602 3.454 693 HA GLU 89 HA GLU 89 -6.796 -18.777 3.692 694 1HB GLU 89 HB2 GLU 89 -6.204 -16.286 3.237 695 2HB GLU 89 HB1 GLU 89 -5.908 -16.809 1.580 696 1HG GLU 89 HG2 GLU 89 -8.214 -17.777 1.528 697 2HG GLU 89 HG1 GLU 89 -8.493 -17.116 3.140 698 H HIS 90 HN HIS 90 -4.046 -19.902 2.432 699 HA HIS 90 HA HIS 90 -4.764 -20.538 -0.287 700 1HB HIS 90 HB2 HIS 90 -2.433 -20.678 0.490 701 2HB HIS 90 HB1 HIS 90 -2.874 -21.963 1.616 702 HD1 HIS 90 HD1 HIS 90 -1.176 -23.527 0.265 703 HD2 HIS 90 HD2 HIS 90 -4.514 -22.258 -1.892 704 HE1 HIS 90 HE1 HIS 90 -1.314 -25.012 -1.786 705 HE2 HIS 90 HE2 HIS 90 -3.341 -24.249 -3.104 706 H GLU 91 HN GLU 91 -6.762 -21.520 -0.508 707 HA GLU 91 HA GLU 91 -7.811 -23.463 1.331 708 1HB GLU 91 HB2 GLU 91 -8.513 -22.833 -1.549 709 2HB GLU 91 HB1 GLU 91 -9.425 -23.964 -0.546 710 1HG GLU 91 HG2 GLU 91 -8.897 -21.085 0.241 711 2HG GLU 91 HG1 GLU 91 -10.362 -21.614 -0.587 712 1H MET 0 HT1 MET 0 9.158 -7.818 13.464 713 2H MET 0 HT2 MET 0 7.833 -7.314 12.526 714 3H MET 0 HT3 MET 0 7.799 -8.821 13.312 715 HA MET 0 HA MET 0 6.440 -7.278 14.528 716 1HB MET 0 HB2 MET 0 7.629 -7.393 16.717 717 2HB MET 0 HB1 MET 0 7.679 -8.924 15.846 718 1HG MET 0 HG2 MET 0 9.940 -8.376 15.009 719 2HG MET 0 HG1 MET 0 9.893 -6.849 15.893 720 1HE MET 0 HE1 MET 0 12.442 -8.799 17.999 721 2HE MET 0 HE2 MET 0 12.019 -7.247 17.279 722 3HE MET 0 HE3 MET 0 12.244 -8.657 16.247 723 H SER 1 HN SER 1 7.930 -5.564 12.641 724 HA SER 1 HA SER 1 8.774 -3.320 14.437 725 1HB SER 1 HB2 SER 1 9.765 -2.409 12.303 726 2HB SER 1 HB1 SER 1 10.508 -3.895 12.882 727 HG SER 1 HG SER 1 9.525 -5.013 11.304 728 H GLU 2 HN GLU 2 8.407 -1.162 12.996 729 HA GLU 2 HA GLU 2 5.682 -0.490 13.151 730 1HB GLU 2 HB2 GLU 2 7.776 0.649 11.277 731 2HB GLU 2 HB1 GLU 2 6.251 1.427 11.691 732 1HG GLU 2 HG2 GLU 2 6.993 1.238 14.139 733 2HG GLU 2 HG1 GLU 2 8.592 0.845 13.507 734 H LEU 3 HN LEU 3 7.454 -2.077 10.589 735 HA LEU 3 HA LEU 3 5.299 -1.807 8.643 736 1HB LEU 3 HB2 LEU 3 8.015 -2.964 8.740 737 2HB LEU 3 HB1 LEU 3 6.911 -3.877 7.725 738 HG LEU 3 HG LEU 3 8.244 -2.019 6.581 739 1HD1 LEU 3 HD11 LEU 3 6.063 -3.081 5.747 740 2HD1 LEU 3 HD12 LEU 3 6.487 -1.507 5.084 741 3HD1 LEU 3 HD13 LEU 3 5.261 -1.627 6.341 742 1HD2 LEU 3 HD21 LEU 3 7.551 -0.431 8.645 743 2HD2 LEU 3 HD22 LEU 3 6.219 -0.039 7.557 744 3HD2 LEU 3 HD23 LEU 3 7.878 0.205 7.039 745 H GLU 4 HN GLU 4 6.158 -4.125 11.129 746 HA GLU 4 HA GLU 4 4.480 -6.242 10.055 747 1HB GLU 4 HB2 GLU 4 6.269 -6.855 11.564 748 2HB GLU 4 HB1 GLU 4 5.655 -5.772 12.813 749 1HG GLU 4 HG2 GLU 4 3.868 -7.952 11.734 750 2HG GLU 4 HG1 GLU 4 5.100 -8.352 12.928 751 H LYS 5 HN LYS 5 4.050 -3.505 12.184 752 HA LYS 5 HA LYS 5 1.464 -4.282 13.220 753 1HB LYS 5 HB2 LYS 5 2.575 -1.478 12.896 754 2HB LYS 5 HB1 LYS 5 1.328 -2.002 14.030 755 1HG LYS 5 HG2 LYS 5 2.901 -3.351 15.263 756 2HG LYS 5 HG1 LYS 5 4.146 -3.114 14.042 757 1HD LYS 5 HD2 LYS 5 3.774 -0.539 14.616 758 2HD LYS 5 HD1 LYS 5 3.141 -1.195 16.126 759 1HE LYS 5 HE2 LYS 5 5.227 -2.400 16.514 760 2HE LYS 5 HE1 LYS 5 5.861 -1.859 14.962 761 1HZ LYS 5 HZ1 LYS 5 5.056 -0.068 17.189 762 2HZ LYS 5 HZ2 LYS 5 5.752 0.410 15.714 763 3HZ LYS 5 HZ3 LYS 5 6.654 -0.505 16.827 764 H ALA 6 HN ALA 6 2.531 -2.114 10.603 765 HA ALA 6 HA ALA 6 -0.059 -1.321 9.754 766 1HB ALA 6 HB1 ALA 6 2.194 -1.732 7.799 767 2HB ALA 6 HB2 ALA 6 2.269 -0.443 9.001 768 3HB ALA 6 HB3 ALA 6 0.963 -0.468 7.816 769 H MET 7 HN MET 7 1.963 -3.956 8.439 770 HA MET 7 HA MET 7 0.054 -4.914 6.587 771 1HB MET 7 HB2 MET 7 2.110 -6.483 8.188 772 2HB MET 7 HB1 MET 7 1.218 -7.127 6.813 773 1HG MET 7 HG2 MET 7 2.161 -4.970 5.593 774 2HG MET 7 HG1 MET 7 3.379 -5.049 6.854 775 1HE MET 7 HE1 MET 7 5.366 -5.454 5.666 776 2HE MET 7 HE2 MET 7 5.891 -7.059 5.163 777 3HE MET 7 HE3 MET 7 5.414 -6.780 6.836 778 H VAL 8 HN VAL 8 0.403 -5.580 10.054 779 HA VAL 8 HA VAL 8 -1.684 -7.584 10.130 780 HB VAL 8 HB VAL 8 -0.325 -5.850 12.203 781 1HG1 VAL 8 HG11 VAL 8 -2.527 -5.966 13.107 782 2HG1 VAL 8 HG12 VAL 8 -1.625 -7.253 13.910 783 3HG1 VAL 8 HG13 VAL 8 -2.730 -7.641 12.592 784 1HG2 VAL 8 HG21 VAL 8 0.920 -7.783 11.427 785 2HG2 VAL 8 HG22 VAL 8 -0.474 -8.835 11.680 786 3HG2 VAL 8 HG23 VAL 8 0.347 -8.112 13.062 787 H ALA 9 HN ALA 9 -1.630 -4.155 11.034 788 HA ALA 9 HA ALA 9 -4.325 -3.821 11.688 789 1HB ALA 9 HB1 ALA 9 -2.648 -2.052 11.957 790 2HB ALA 9 HB2 ALA 9 -4.022 -1.462 11.031 791 3HB ALA 9 HB3 ALA 9 -2.527 -1.884 10.206 792 H LEU 10 HN LEU 10 -2.862 -3.897 8.427 793 HA LEU 10 HA LEU 10 -5.419 -3.215 7.173 794 1HB LEU 10 HB2 LEU 10 -2.653 -3.856 6.231 795 2HB LEU 10 HB1 LEU 10 -3.964 -4.135 5.087 796 HG LEU 10 HG LEU 10 -4.746 -1.802 5.441 797 1HD1 LEU 10 HD11 LEU 10 -2.247 -1.608 7.150 798 2HD1 LEU 10 HD12 LEU 10 -3.912 -1.465 7.715 799 3HD1 LEU 10 HD13 LEU 10 -3.234 -0.235 6.648 800 1HD2 LEU 10 HD21 LEU 10 -3.275 -2.184 3.575 801 2HD2 LEU 10 HD22 LEU 10 -1.856 -2.188 4.622 802 3HD2 LEU 10 HD23 LEU 10 -2.749 -0.692 4.355 803 H ILE 11 HN ILE 11 -3.535 -6.260 7.492 804 HA ILE 11 HA ILE 11 -5.015 -8.001 5.972 805 HB ILE 11 HB ILE 11 -3.847 -8.352 8.743 806 1HG1 ILE 11 HG12 ILE 11 -2.500 -7.981 6.475 807 2HG1 ILE 11 HG11 ILE 11 -1.943 -9.155 7.662 808 1HG2 ILE 11 HG21 ILE 11 -5.309 -10.350 7.025 809 2HG2 ILE 11 HG22 ILE 11 -5.445 -10.069 8.761 810 3HG2 ILE 11 HG23 ILE 11 -4.021 -10.877 8.108 811 1HD1 ILE 11 HD11 ILE 11 -3.777 -9.911 5.390 812 2HD1 ILE 11 HD12 ILE 11 -2.824 -10.982 6.411 813 3HD1 ILE 11 HD13 ILE 11 -2.026 -9.945 5.229 814 H ASP 12 HN ASP 12 -5.976 -6.618 9.108 815 HA ASP 12 HA ASP 12 -8.371 -8.264 9.308 816 1HB ASP 12 HB2 ASP 12 -7.950 -5.646 10.753 817 2HB ASP 12 HB1 ASP 12 -8.844 -7.068 11.291 818 H VAL 13 HN VAL 13 -7.794 -4.816 8.554 819 HA VAL 13 HA VAL 13 -10.565 -4.367 7.814 820 HB VAL 13 HB VAL 13 -8.108 -2.699 7.170 821 1HG1 VAL 13 HG11 VAL 13 -11.076 -2.247 6.943 822 2HG1 VAL 13 HG12 VAL 13 -9.788 -1.786 5.830 823 3HG1 VAL 13 HG13 VAL 13 -10.030 -0.878 7.321 824 1HG2 VAL 13 HG21 VAL 13 -9.101 -1.389 9.220 825 2HG2 VAL 13 HG22 VAL 13 -8.116 -2.819 9.515 826 3HG2 VAL 13 HG23 VAL 13 -9.873 -2.925 9.608 827 H PHE 14 HN PHE 14 -7.722 -5.464 6.205 828 HA PHE 14 HA PHE 14 -8.535 -4.888 3.503 829 1HB PHE 14 HB2 PHE 14 -6.235 -5.368 3.837 830 2HB PHE 14 HB1 PHE 14 -6.592 -6.853 4.703 831 HD1 PHE 14 HD1 PHE 14 -8.323 -5.939 1.524 832 HD2 PHE 14 HD2 PHE 14 -5.182 -8.242 3.346 833 HE1 PHE 14 HE1 PHE 14 -8.066 -7.238 -0.559 834 HE2 PHE 14 HE2 PHE 14 -4.921 -9.532 1.250 835 HZ PHE 14 HZ PHE 14 -6.368 -9.036 -0.701 836 H HIS 15 HN HIS 15 -8.912 -7.838 5.493 837 HA HIS 15 HA HIS 15 -10.394 -9.196 3.378 838 1HB HIS 15 HB2 HIS 15 -9.105 -9.959 5.781 839 2HB HIS 15 HB1 HIS 15 -10.797 -10.329 6.056 840 HD1 HIS 15 HD1 HIS 15 -10.639 -12.852 5.821 841 HD2 HIS 15 HD2 HIS 15 -9.079 -10.863 2.504 842 HE1 HIS 15 HE1 HIS 15 -10.224 -14.616 4.054 843 H GLN 16 HN GLN 16 -11.270 -7.507 6.379 844 HA GLN 16 HA GLN 16 -13.974 -8.145 6.568 845 1HB GLN 16 HB2 GLN 16 -12.216 -6.027 7.492 846 2HB GLN 16 HB1 GLN 16 -13.782 -5.333 7.086 847 1HG GLN 16 HG2 GLN 16 -13.838 -6.008 9.393 848 2HG GLN 16 HG1 GLN 16 -14.850 -7.125 8.478 849 1HE2 GLN 16 HE21 GLN 16 -14.462 -9.286 8.972 850 2HE2 GLN 16 HE22 GLN 16 -12.987 -9.914 9.530 851 H TYR 17 HN TYR 17 -12.536 -5.677 4.474 852 HA TYR 17 HA TYR 17 -15.189 -5.120 3.250 853 1HB TYR 17 HB2 TYR 17 -12.449 -3.878 2.976 854 2HB TYR 17 HB1 TYR 17 -13.738 -3.507 1.827 855 HD1 TYR 17 HD1 TYR 17 -13.088 -3.696 5.515 856 HD2 TYR 17 HD2 TYR 17 -15.269 -1.800 2.338 857 HE1 TYR 17 HE1 TYR 17 -14.066 -2.099 7.139 858 HE2 TYR 17 HE2 TYR 17 -16.247 -0.203 3.963 859 HH TYR 17 HH TYR 17 -16.516 0.268 6.134 860 H SER 18 HN SER 18 -11.941 -6.025 2.028 861 HA SER 18 HA SER 18 -12.691 -6.701 -0.578 862 1HB SER 18 HB2 SER 18 -10.357 -6.775 0.454 863 2HB SER 18 HB1 SER 18 -10.782 -8.363 1.083 864 HG SER 18 HG SER 18 -11.492 -8.411 -1.411 865 H GLY 19 HN GLY 19 -13.310 -8.400 2.416 866 1HA GLY 19 HA2 GLY 19 -14.490 -10.708 0.942 867 2HA GLY 19 HA1 GLY 19 -14.077 -10.694 2.650 868 H ARG 20 HN ARG 20 -15.633 -7.761 2.012 869 HA ARG 20 HA ARG 20 -17.914 -8.572 3.528 870 1HB ARG 20 HB2 ARG 20 -18.880 -6.396 3.037 871 2HB ARG 20 HB1 ARG 20 -17.190 -6.234 3.468 872 1HG ARG 20 HG2 ARG 20 -16.746 -5.191 1.491 873 2HG ARG 20 HG1 ARG 20 -17.356 -6.569 0.591 874 1HD ARG 20 HD2 ARG 20 -18.906 -4.167 1.586 875 2HD ARG 20 HD1 ARG 20 -18.680 -4.691 -0.081 876 HE ARG 20 HE ARG 20 -19.965 -6.837 1.057 877 1HH1 ARG 20 HH21 ARG 20 -20.492 -3.430 1.001 878 2HH1 ARG 20 HH22 ARG 20 -22.214 -3.562 1.130 879 1HH2 ARG 20 HH11 ARG 20 -22.208 -7.029 1.236 880 2HH2 ARG 20 HH12 ARG 20 -23.187 -5.600 1.268 881 H GLU 21 HN GLU 21 -17.445 -8.359 0.007 882 HA GLU 21 HA GLU 21 -19.728 -10.159 -0.328 883 1HB GLU 21 HB2 GLU 21 -21.153 -8.691 -1.611 884 2HB GLU 21 HB1 GLU 21 -20.825 -7.917 -0.064 885 1HG GLU 21 HG2 GLU 21 -18.894 -6.707 -1.237 886 2HG GLU 21 HG1 GLU 21 -19.586 -7.289 -2.751 887 H GLY 22 HN GLY 22 -20.137 -10.640 -2.666 888 1HA GLY 22 HA2 GLY 22 -19.424 -11.055 -4.864 889 2HA GLY 22 HA1 GLY 22 -18.220 -9.796 -4.653 890 H ASP 23 HN ASP 23 -16.377 -10.773 -5.336 891 HA ASP 23 HA ASP 23 -15.675 -13.488 -5.112 892 1HB ASP 23 HB2 ASP 23 -13.939 -11.010 -5.188 893 2HB ASP 23 HB1 ASP 23 -13.295 -12.648 -5.315 894 H LYS 24 HN LYS 24 -13.143 -11.930 -3.537 895 HA LYS 24 HA LYS 24 -14.037 -12.152 -0.820 896 1HB LYS 24 HB2 LYS 24 -14.095 -14.535 -1.225 897 2HB LYS 24 HB1 LYS 24 -12.522 -14.493 -2.000 898 1HG LYS 24 HG2 LYS 24 -12.400 -15.406 0.301 899 2HG LYS 24 HG1 LYS 24 -11.443 -13.944 0.135 900 1HD LYS 24 HD2 LYS 24 -12.784 -14.014 2.240 901 2HD LYS 24 HD1 LYS 24 -13.189 -12.632 1.233 902 1HE LYS 24 HE2 LYS 24 -15.247 -13.575 0.559 903 2HE LYS 24 HE1 LYS 24 -14.743 -15.207 0.993 904 1HZ LYS 24 HZ1 LYS 24 -15.763 -13.061 2.681 905 2HZ LYS 24 HZ2 LYS 24 -14.551 -14.047 3.347 906 3HZ LYS 24 HZ3 LYS 24 -16.000 -14.737 2.792 907 H HIS 25 HN HIS 25 -11.520 -11.681 -3.191 908 HA HIS 25 HA HIS 25 -9.819 -10.462 -1.052 909 1HB HIS 25 HB2 HIS 25 -9.199 -12.839 -2.220 910 2HB HIS 25 HB1 HIS 25 -8.462 -11.750 -3.388 911 HD2 HIS 25 HD2 HIS 25 -5.821 -11.538 -2.655 912 HE1 HIS 25 HE1 HIS 25 -6.354 -11.324 1.518 913 HE2 HIS 25 HE2 HIS 25 -4.645 -11.256 -0.348 914 H LYS 26 HN LYS 26 -11.689 -9.153 -2.926 915 HA LYS 26 HA LYS 26 -9.710 -7.269 -4.070 916 1HB LYS 26 HB2 LYS 26 -12.000 -8.491 -5.644 917 2HB LYS 26 HB1 LYS 26 -11.017 -7.130 -6.183 918 1HG LYS 26 HG2 LYS 26 -9.002 -8.798 -5.689 919 2HG LYS 26 HG1 LYS 26 -10.252 -10.025 -5.884 920 1HD LYS 26 HD2 LYS 26 -9.413 -7.924 -7.898 921 2HD LYS 26 HD1 LYS 26 -9.229 -9.671 -8.042 922 1HE LYS 26 HE2 LYS 26 -11.833 -9.715 -7.777 923 2HE LYS 26 HE1 LYS 26 -11.733 -8.013 -8.233 924 1HZ LYS 26 HZ1 LYS 26 -11.417 -8.585 -10.335 925 2HZ LYS 26 HZ2 LYS 26 -11.684 -10.209 -9.912 926 3HZ LYS 26 HZ3 LYS 26 -10.105 -9.581 -9.929 927 H LEU 27 HN LEU 27 -10.548 -5.151 -4.259 928 HA LEU 27 HA LEU 27 -12.893 -4.685 -2.500 929 1HB LEU 27 HB2 LEU 27 -10.494 -3.104 -3.293 930 2HB LEU 27 HB1 LEU 27 -11.966 -2.167 -3.091 931 HG LEU 27 HG LEU 27 -12.147 -3.495 -0.783 932 1HD1 LEU 27 HD11 LEU 27 -9.851 -3.861 0.157 933 2HD1 LEU 27 HD12 LEU 27 -9.206 -3.683 -1.474 934 3HD1 LEU 27 HD13 LEU 27 -10.298 -5.014 -1.098 935 1HD2 LEU 27 HD21 LEU 27 -10.336 -1.181 -1.426 936 2HD2 LEU 27 HD22 LEU 27 -10.653 -1.700 0.230 937 3HD2 LEU 27 HD23 LEU 27 -11.974 -1.138 -0.785 938 H LYS 28 HN LYS 28 -14.697 -3.797 -3.153 939 HA LYS 28 HA LYS 28 -15.068 -3.198 -6.077 940 1HB LYS 28 HB2 LYS 28 -17.208 -3.875 -4.041 941 2HB LYS 28 HB1 LYS 28 -17.409 -3.717 -5.785 942 1HG LYS 28 HG2 LYS 28 -15.639 -5.573 -5.990 943 2HG LYS 28 HG1 LYS 28 -15.894 -5.848 -4.266 944 1HD LYS 28 HD2 LYS 28 -18.165 -6.447 -4.583 945 2HD LYS 28 HD1 LYS 28 -18.197 -5.810 -6.226 946 1HE LYS 28 HE2 LYS 28 -16.634 -8.221 -5.266 947 2HE LYS 28 HE1 LYS 28 -18.054 -8.234 -6.318 948 1HZ LYS 28 HZ1 LYS 28 -15.299 -7.492 -6.922 949 2HZ LYS 28 HZ2 LYS 28 -16.522 -6.595 -7.687 950 3HZ LYS 28 HZ3 LYS 28 -16.447 -8.280 -7.890 951 H LYS 29 HN LYS 29 -16.424 -1.316 -6.584 952 HA LYS 29 HA LYS 29 -15.730 1.042 -5.290 953 1HB LYS 29 HB2 LYS 29 -18.374 0.481 -6.662 954 2HB LYS 29 HB1 LYS 29 -17.677 2.078 -6.375 955 1HG LYS 29 HG2 LYS 29 -15.612 1.220 -7.654 956 2HG LYS 29 HG1 LYS 29 -16.640 -0.111 -8.182 957 1HD LYS 29 HD2 LYS 29 -18.291 1.631 -8.999 958 2HD LYS 29 HD1 LYS 29 -17.047 2.842 -8.682 959 1HE LYS 29 HE2 LYS 29 -16.759 0.454 -10.528 960 2HE LYS 29 HE1 LYS 29 -16.966 2.131 -11.035 961 1HZ LYS 29 HZ1 LYS 29 -14.622 0.789 -9.991 962 2HZ LYS 29 HZ2 LYS 29 -14.900 2.341 -9.359 963 3HZ LYS 29 HZ3 LYS 29 -14.736 2.120 -11.034 964 H SER 30 HN SER 30 -18.655 -0.908 -4.663 965 HA SER 30 HA SER 30 -19.802 0.689 -2.654 966 1HB SER 30 HB2 SER 30 -19.680 -2.328 -2.474 967 2HB SER 30 HB1 SER 30 -20.960 -1.262 -1.905 968 HG SER 30 HG SER 30 -20.771 -0.690 -4.397 969 H GLU 31 HN GLU 31 -16.770 -0.784 -2.656 970 HA GLU 31 HA GLU 31 -16.594 -0.835 0.334 971 1HB GLU 31 HB2 GLU 31 -14.498 -1.742 -1.653 972 2HB GLU 31 HB1 GLU 31 -14.550 -2.069 0.078 973 1HG GLU 31 HG2 GLU 31 -16.692 -3.294 -0.242 974 2HG GLU 31 HG1 GLU 31 -16.547 -3.040 -1.979 975 H LEU 32 HN LEU 32 -15.246 0.738 -2.533 976 HA LEU 32 HA LEU 32 -13.281 2.287 -1.119 977 1HB LEU 32 HB2 LEU 32 -14.606 2.430 -3.794 978 2HB LEU 32 HB1 LEU 32 -13.876 3.912 -3.206 979 HG LEU 32 HG LEU 32 -12.454 2.295 -4.677 980 1HD1 LEU 32 HD11 LEU 32 -11.565 4.298 -3.569 981 2HD1 LEU 32 HD12 LEU 32 -10.405 2.971 -3.487 982 3HD1 LEU 32 HD13 LEU 32 -11.367 3.388 -2.068 983 1HD2 LEU 32 HD21 LEU 32 -13.082 0.374 -2.943 984 2HD2 LEU 32 HD22 LEU 32 -11.678 1.002 -2.081 985 3HD2 LEU 32 HD23 LEU 32 -11.509 0.411 -3.730 986 H LYS 33 HN LYS 33 -16.455 3.282 -2.392 987 HA LYS 33 HA LYS 33 -16.591 5.737 -0.994 988 1HB LYS 33 HB2 LYS 33 -18.012 4.868 -2.918 989 2HB LYS 33 HB1 LYS 33 -18.918 3.952 -1.717 990 1HG LYS 33 HG2 LYS 33 -19.303 6.154 -0.496 991 2HG LYS 33 HG1 LYS 33 -18.636 6.959 -1.920 992 1HD LYS 33 HD2 LYS 33 -20.875 6.952 -2.529 993 2HD LYS 33 HD1 LYS 33 -20.397 5.391 -3.194 994 1HE LYS 33 HE2 LYS 33 -21.139 4.316 -1.048 995 2HE LYS 33 HE1 LYS 33 -21.741 5.886 -0.518 996 1HZ LYS 33 HZ1 LYS 33 -23.002 5.870 -2.725 997 2HZ LYS 33 HZ2 LYS 33 -23.581 4.883 -1.468 998 3HZ LYS 33 HZ3 LYS 33 -22.692 4.202 -2.745 999 H GLU 34 HN GLU 34 -17.470 2.448 -0.021 1000 HA GLU 34 HA GLU 34 -18.707 3.379 2.476 1001 1HB GLU 34 HB2 GLU 34 -19.444 1.316 1.265 1002 2HB GLU 34 HB1 GLU 34 -17.911 0.564 1.717 1003 1HG GLU 34 HG2 GLU 34 -18.439 0.812 4.079 1004 2HG GLU 34 HG1 GLU 34 -19.913 1.702 3.687 1005 H LEU 35 HN LEU 35 -15.623 1.902 1.538 1006 HA LEU 35 HA LEU 35 -14.671 1.690 4.280 1007 1HB LEU 35 HB2 LEU 35 -13.720 0.317 2.411 1008 2HB LEU 35 HB1 LEU 35 -13.082 1.792 1.692 1009 HG LEU 35 HG LEU 35 -11.891 2.144 3.997 1010 1HD1 LEU 35 HD11 LEU 35 -12.554 -0.808 4.098 1011 2HD1 LEU 35 HD12 LEU 35 -13.021 0.417 5.274 1012 3HD1 LEU 35 HD13 LEU 35 -11.328 -0.035 5.095 1013 1HD2 LEU 35 HD21 LEU 35 -11.011 -0.144 2.214 1014 2HD2 LEU 35 HD22 LEU 35 -9.975 0.847 3.240 1015 3HD2 LEU 35 HD23 LEU 35 -10.768 1.562 1.839 1016 H ILE 36 HN ILE 36 -14.602 4.078 1.732 1017 HA ILE 36 HA ILE 36 -12.695 5.829 3.001 1018 HB ILE 36 HB ILE 36 -14.730 6.226 0.810 1019 1HG1 ILE 36 HG12 ILE 36 -11.705 6.337 0.681 1020 2HG1 ILE 36 HG11 ILE 36 -12.567 4.811 0.535 1021 1HG2 ILE 36 HG21 ILE 36 -14.488 8.384 1.825 1022 2HG2 ILE 36 HG22 ILE 36 -13.442 8.371 0.406 1023 3HG2 ILE 36 HG23 ILE 36 -12.751 8.166 2.011 1024 1HD1 ILE 36 HD11 ILE 36 -12.772 7.229 -1.270 1025 2HD1 ILE 36 HD12 ILE 36 -13.926 5.898 -1.334 1026 3HD1 ILE 36 HD13 ILE 36 -12.227 5.610 -1.699 1027 H ASN 37 HN ASN 37 -16.239 5.659 2.932 1028 HA ASN 37 HA ASN 37 -16.527 8.020 4.639 1029 1HB ASN 37 HB2 ASN 37 -18.612 5.973 3.844 1030 2HB ASN 37 HB1 ASN 37 -18.910 7.587 4.488 1031 1HD2 ASN 37 HD21 ASN 37 -20.067 7.109 2.044 1032 2HD2 ASN 37 HD22 ASN 37 -19.208 7.880 0.799 1033 H ASN 38 HN ASN 38 -16.336 4.559 5.122 1034 HA ASN 38 HA ASN 38 -17.380 4.804 7.900 1035 1HB ASN 38 HB2 ASN 38 -16.450 2.366 6.360 1036 2HB ASN 38 HB1 ASN 38 -17.211 2.348 7.951 1037 1HD2 ASN 38 HD21 ASN 38 -19.192 1.316 7.353 1038 2HD2 ASN 38 HD22 ASN 38 -20.304 2.009 6.276 1039 H GLU 39 HN GLU 39 -14.347 3.797 6.282 1040 HA GLU 39 HA GLU 39 -13.010 3.710 8.953 1041 1HB GLU 39 HB2 GLU 39 -12.801 1.881 7.119 1042 2HB GLU 39 HB1 GLU 39 -11.718 3.014 6.312 1043 1HG GLU 39 HG2 GLU 39 -10.336 1.600 7.673 1044 2HG GLU 39 HG1 GLU 39 -10.426 3.154 8.501 1045 H LEU 40 HN LEU 40 -11.991 4.875 5.725 1046 HA LEU 40 HA LEU 40 -10.235 6.859 6.944 1047 1HB LEU 40 HB2 LEU 40 -11.010 7.005 4.044 1048 2HB LEU 40 HB1 LEU 40 -9.438 7.260 4.793 1049 HG LEU 40 HG LEU 40 -10.826 4.582 4.443 1050 1HD1 LEU 40 HD11 LEU 40 -8.542 5.959 3.041 1051 2HD1 LEU 40 HD12 LEU 40 -9.982 5.218 2.343 1052 3HD1 LEU 40 HD13 LEU 40 -8.713 4.203 3.025 1053 1HD2 LEU 40 HD21 LEU 40 -8.214 5.386 5.749 1054 2HD2 LEU 40 HD22 LEU 40 -8.557 3.735 5.234 1055 3HD2 LEU 40 HD23 LEU 40 -9.552 4.495 6.476 1056 H SER 41 HN SER 41 -12.948 7.149 7.789 1057 HA SER 41 HA SER 41 -14.075 9.414 6.288 1058 1HB SER 41 HB2 SER 41 -15.256 8.748 8.922 1059 2HB SER 41 HB1 SER 41 -16.025 8.840 7.339 1060 HG SER 41 HG SER 41 -15.030 6.696 8.698 1061 H HIS 42 HN HIS 42 -11.912 8.936 8.940 1062 HA HIS 42 HA HIS 42 -12.417 11.672 10.010 1063 1HB HIS 42 HB2 HIS 42 -10.604 10.809 11.697 1064 2HB HIS 42 HB1 HIS 42 -12.243 10.165 11.799 1065 HD1 HIS 42 HD1 HIS 42 -9.319 9.253 9.515 1066 HD2 HIS 42 HD2 HIS 42 -11.971 7.443 12.178 1067 HE1 HIS 42 HE1 HIS 42 -8.824 6.769 9.443 1068 HE2 HIS 42 HE2 HIS 42 -10.431 5.657 11.061 1069 H PHE 43 HN PHE 43 -10.061 9.782 8.207 1070 HA PHE 43 HA PHE 43 -8.120 12.046 8.291 1071 1HB PHE 43 HB2 PHE 43 -7.955 9.117 7.814 1072 2HB PHE 43 HB1 PHE 43 -6.938 10.077 6.741 1073 HD1 PHE 43 HD1 PHE 43 -7.946 10.293 10.361 1074 HD2 PHE 43 HD2 PHE 43 -4.735 10.241 7.508 1075 HE1 PHE 43 HE1 PHE 43 -6.308 10.606 12.196 1076 HE2 PHE 43 HE2 PHE 43 -3.100 10.555 9.344 1077 HZ PHE 43 HZ PHE 43 -3.888 10.739 11.688 1078 H LEU 44 HN LEU 44 -9.420 9.833 5.768 1079 HA LEU 44 HA LEU 44 -8.925 11.846 3.732 1080 1HB LEU 44 HB2 LEU 44 -8.798 9.459 3.161 1081 2HB LEU 44 HB1 LEU 44 -10.485 9.247 3.610 1082 HG LEU 44 HG LEU 44 -11.208 10.702 1.795 1083 1HD1 LEU 44 HD11 LEU 44 -9.572 12.380 1.580 1084 2HD1 LEU 44 HD12 LEU 44 -9.312 11.413 0.131 1085 3HD1 LEU 44 HD13 LEU 44 -8.246 11.218 1.525 1086 1HD2 LEU 44 HD21 LEU 44 -10.713 9.255 -0.018 1087 2HD2 LEU 44 HD22 LEU 44 -10.520 8.229 1.401 1088 3HD2 LEU 44 HD23 LEU 44 -9.102 8.892 0.596 1089 H GLU 45 HN GLU 45 -10.431 13.306 2.896 1090 HA GLU 45 HA GLU 45 -12.565 14.196 4.455 1091 1HB GLU 45 HB2 GLU 45 -12.277 14.340 1.439 1092 2HB GLU 45 HB1 GLU 45 -13.425 15.291 2.382 1093 1HG GLU 45 HG2 GLU 45 -11.480 16.175 3.719 1094 2HG GLU 45 HG1 GLU 45 -10.402 15.364 2.584 1095 H GLU 46 HN GLU 46 -14.683 13.617 4.721 1096 HA GLU 46 HA GLU 46 -15.536 10.982 4.088 1097 1HB GLU 46 HB2 GLU 46 -16.504 12.355 5.918 1098 2HB GLU 46 HB1 GLU 46 -17.263 13.397 4.713 1099 1HG GLU 46 HG2 GLU 46 -18.623 11.591 3.892 1100 2HG GLU 46 HG1 GLU 46 -17.734 10.411 4.854 1101 H ILE 47 HN ILE 47 -15.588 10.391 1.950 1102 HA ILE 47 HA ILE 47 -16.521 12.187 -0.136 1103 HB ILE 47 HB ILE 47 -15.542 9.360 0.038 1104 1HG1 ILE 47 HG12 ILE 47 -14.946 11.618 -1.898 1105 2HG1 ILE 47 HG11 ILE 47 -14.068 11.340 -0.403 1106 1HG2 ILE 47 HG21 ILE 47 -17.407 8.857 -1.303 1107 2HG2 ILE 47 HG22 ILE 47 -16.111 9.127 -2.462 1108 3HG2 ILE 47 HG23 ILE 47 -17.311 10.387 -2.172 1109 1HD1 ILE 47 HD11 ILE 47 -14.210 8.904 -2.019 1110 2HD1 ILE 47 HD12 ILE 47 -12.800 9.732 -1.353 1111 3HD1 ILE 47 HD13 ILE 47 -13.468 10.241 -2.899 1112 H LYS 48 HN LYS 48 -18.579 12.484 -0.789 1113 HA LYS 48 HA LYS 48 -20.705 10.628 0.248 1114 1HB LYS 48 HB2 LYS 48 -20.699 13.038 1.068 1115 2HB LYS 48 HB1 LYS 48 -21.045 13.517 -0.595 1116 1HG LYS 48 HG2 LYS 48 -23.066 12.087 -0.576 1117 2HG LYS 48 HG1 LYS 48 -22.730 11.650 1.100 1118 1HD LYS 48 HD2 LYS 48 -22.992 13.952 1.815 1119 2HD LYS 48 HD1 LYS 48 -23.145 14.498 0.145 1120 1HE LYS 48 HE2 LYS 48 -25.040 12.497 1.394 1121 2HE LYS 48 HE1 LYS 48 -25.339 14.235 1.409 1122 1HZ LYS 48 HZ1 LYS 48 -24.829 13.959 -1.134 1123 2HZ LYS 48 HZ2 LYS 48 -26.384 13.660 -0.514 1124 3HZ LYS 48 HZ3 LYS 48 -25.335 12.366 -0.845 1125 H GLU 49 HN GLU 49 -19.320 12.184 -2.551 1126 HA GLU 49 HA GLU 49 -21.547 11.242 -4.293 1127 1HB GLU 49 HB2 GLU 49 -19.099 12.927 -4.919 1128 2HB GLU 49 HB1 GLU 49 -20.376 12.522 -6.066 1129 1HG GLU 49 HG2 GLU 49 -20.837 14.000 -3.460 1130 2HG GLU 49 HG1 GLU 49 -20.670 14.784 -5.031 1131 H GLN 50 HN GLN 50 -21.006 9.948 -6.206 1132 HA GLN 50 HA GLN 50 -18.841 7.998 -5.613 1133 1HB GLN 50 HB2 GLN 50 -20.905 7.847 -7.819 1134 2HB GLN 50 HB1 GLN 50 -19.962 6.527 -7.128 1135 1HG GLN 50 HG2 GLN 50 -21.106 6.847 -4.960 1136 2HG GLN 50 HG1 GLN 50 -22.062 8.152 -5.663 1137 1HE2 GLN 50 HE21 GLN 50 -24.124 7.095 -5.581 1138 2HE2 GLN 50 HE22 GLN 50 -24.473 5.692 -6.470 1139 H GLU 51 HN GLU 51 -19.751 10.442 -7.968 1140 HA GLU 51 HA GLU 51 -18.125 9.740 -10.123 1141 1HB GLU 51 HB2 GLU 51 -18.887 12.448 -9.022 1142 2HB GLU 51 HB1 GLU 51 -17.965 12.264 -10.515 1143 1HG GLU 51 HG2 GLU 51 -19.759 10.865 -11.462 1144 2HG GLU 51 HG1 GLU 51 -20.682 11.028 -9.969 1145 H VAL 52 HN VAL 52 -17.166 10.989 -6.997 1146 HA VAL 52 HA VAL 52 -14.475 11.664 -7.904 1147 HB VAL 52 HB VAL 52 -13.971 11.876 -5.489 1148 1HG1 VAL 52 HG11 VAL 52 -16.587 13.078 -6.434 1149 2HG1 VAL 52 HG12 VAL 52 -14.986 13.813 -6.497 1150 3HG1 VAL 52 HG13 VAL 52 -15.786 13.570 -4.943 1151 1HG2 VAL 52 HG21 VAL 52 -16.031 11.534 -3.951 1152 2HG2 VAL 52 HG22 VAL 52 -15.176 10.093 -4.497 1153 3HG2 VAL 52 HG23 VAL 52 -16.686 10.568 -5.270 1154 H VAL 53 HN VAL 53 -16.104 8.945 -6.380 1155 HA VAL 53 HA VAL 53 -13.709 7.378 -6.071 1156 HB VAL 53 HB VAL 53 -16.401 7.087 -5.335 1157 1HG1 VAL 53 HG11 VAL 53 -15.726 4.803 -7.201 1158 2HG1 VAL 53 HG12 VAL 53 -16.868 6.089 -7.587 1159 3HG1 VAL 53 HG13 VAL 53 -17.195 4.995 -6.244 1160 1HG2 VAL 53 HG21 VAL 53 -14.476 6.269 -4.068 1161 2HG2 VAL 53 HG22 VAL 53 -14.206 5.006 -5.270 1162 3HG2 VAL 53 HG23 VAL 53 -15.665 4.983 -4.278 1163 H ASP 54 HN ASP 54 -15.740 8.259 -8.706 1164 HA ASP 54 HA ASP 54 -14.821 6.100 -10.466 1165 1HB ASP 54 HB2 ASP 54 -16.231 8.729 -11.028 1166 2HB ASP 54 HB1 ASP 54 -15.831 7.550 -12.274 1167 H LYS 55 HN LYS 55 -13.960 9.427 -9.694 1168 HA LYS 55 HA LYS 55 -11.920 9.646 -11.766 1169 1HB LYS 55 HB2 LYS 55 -12.656 11.744 -11.003 1170 2HB LYS 55 HB1 LYS 55 -12.703 11.224 -9.325 1171 1HG LYS 55 HG2 LYS 55 -10.239 11.240 -9.221 1172 2HG LYS 55 HG1 LYS 55 -10.161 11.689 -10.925 1173 1HD LYS 55 HD2 LYS 55 -11.055 13.830 -10.506 1174 2HD LYS 55 HD1 LYS 55 -11.678 13.352 -8.924 1175 1HE LYS 55 HE2 LYS 55 -9.414 13.150 -8.048 1176 2HE LYS 55 HE1 LYS 55 -8.737 13.517 -9.636 1177 1HZ LYS 55 HZ1 LYS 55 -10.293 15.310 -7.865 1178 2HZ LYS 55 HZ2 LYS 55 -10.001 15.665 -9.501 1179 3HZ LYS 55 HZ3 LYS 55 -8.702 15.514 -8.415 1180 H VAL 56 HN VAL 56 -11.724 9.326 -8.200 1181 HA VAL 56 HA VAL 56 -8.998 8.911 -7.930 1182 HB VAL 56 HB VAL 56 -11.008 8.864 -6.182 1183 1HG1 VAL 56 HG11 VAL 56 -10.269 5.928 -6.309 1184 2HG1 VAL 56 HG12 VAL 56 -11.748 6.583 -7.004 1185 3HG1 VAL 56 HG13 VAL 56 -11.470 6.691 -5.270 1186 1HG2 VAL 56 HG21 VAL 56 -8.558 9.069 -5.675 1187 2HG2 VAL 56 HG22 VAL 56 -8.451 7.309 -5.672 1188 3HG2 VAL 56 HG23 VAL 56 -9.442 8.134 -4.470 1189 H MET 57 HN MET 57 -11.420 6.458 -8.817 1190 HA MET 57 HA MET 57 -9.579 4.270 -9.048 1191 1HB MET 57 HB2 MET 57 -12.337 4.794 -9.702 1192 2HB MET 57 HB1 MET 57 -11.598 4.101 -11.133 1193 1HG MET 57 HG2 MET 57 -12.521 2.336 -9.717 1194 2HG MET 57 HG1 MET 57 -10.765 2.208 -9.759 1195 1HE MET 57 HE1 MET 57 -12.189 0.687 -8.095 1196 2HE MET 57 HE2 MET 57 -13.303 1.463 -6.964 1197 3HE MET 57 HE3 MET 57 -11.731 0.901 -6.400 1198 H GLU 58 HN GLU 58 -10.491 6.870 -11.278 1199 HA GLU 58 HA GLU 58 -9.051 5.906 -13.558 1200 1HB GLU 58 HB2 GLU 58 -10.767 7.825 -13.457 1201 2HB GLU 58 HB1 GLU 58 -9.432 8.830 -12.884 1202 1HG GLU 58 HG2 GLU 58 -9.445 9.136 -15.240 1203 2HG GLU 58 HG1 GLU 58 -8.140 7.988 -14.949 1204 H THR 59 HN THR 59 -8.086 7.664 -10.705 1205 HA THR 59 HA THR 59 -5.409 8.236 -11.796 1206 HB THR 59 HB THR 59 -6.668 8.732 -9.087 1207 HG1 THR 59 HG1 THR 59 -6.163 10.262 -11.398 1208 1HG2 THR 59 HG21 THR 59 -3.920 9.325 -10.182 1209 2HG2 THR 59 HG22 THR 59 -4.340 8.522 -8.667 1210 3HG2 THR 59 HG23 THR 59 -4.616 10.256 -8.858 1211 H LEU 60 HN LEU 60 -6.969 5.892 -9.691 1212 HA LEU 60 HA LEU 60 -4.315 4.767 -8.952 1213 1HB LEU 60 HB2 LEU 60 -6.072 5.352 -7.200 1214 2HB LEU 60 HB1 LEU 60 -7.023 4.014 -7.849 1215 HG LEU 60 HG LEU 60 -5.037 2.544 -7.519 1216 1HD1 LEU 60 HD11 LEU 60 -3.623 3.865 -5.468 1217 2HD1 LEU 60 HD12 LEU 60 -3.813 5.091 -6.711 1218 3HD1 LEU 60 HD13 LEU 60 -3.042 3.555 -7.100 1219 1HD2 LEU 60 HD21 LEU 60 -6.892 2.512 -5.940 1220 2HD2 LEU 60 HD22 LEU 60 -6.223 3.902 -5.085 1221 3HD2 LEU 60 HD23 LEU 60 -5.380 2.354 -5.047 1222 H ASP 61 HN ASP 61 -7.439 3.811 -10.491 1223 HA ASP 61 HA ASP 61 -6.842 1.059 -10.790 1224 1HB ASP 61 HB2 ASP 61 -9.017 2.251 -11.282 1225 2HB ASP 61 HB1 ASP 61 -8.294 2.752 -12.809 1226 H GLU 62 HN GLU 62 -4.838 0.541 -11.445 1227 HA GLU 62 HA GLU 62 -3.686 1.847 -13.841 1228 1HB GLU 62 HB2 GLU 62 -2.614 -0.126 -11.813 1229 2HB GLU 62 HB1 GLU 62 -1.742 0.247 -13.300 1230 1HG GLU 62 HG2 GLU 62 -1.704 2.630 -12.705 1231 2HG GLU 62 HG1 GLU 62 -2.622 2.290 -11.237 1232 H ASP 63 HN ASP 63 -5.120 -1.138 -12.758 1233 HA ASP 63 HA ASP 63 -4.519 -2.530 -15.276 1234 1HB ASP 63 HB2 ASP 63 -6.532 -3.408 -13.196 1235 2HB ASP 63 HB1 ASP 63 -5.574 -4.407 -14.292 1236 H GLY 64 HN GLY 64 -6.641 -0.144 -14.272 1237 1HA GLY 64 HA2 GLY 64 -8.597 0.732 -15.250 1238 2HA GLY 64 HA1 GLY 64 -8.129 -0.153 -16.704 1239 H ASP 65 HN ASP 65 -8.895 -1.434 -13.478 1240 HA ASP 65 HA ASP 65 -10.951 -3.194 -14.783 1241 1HB ASP 65 HB2 ASP 65 -10.738 -4.532 -12.676 1242 2HB ASP 65 HB1 ASP 65 -9.231 -4.413 -13.587 1243 H GLY 66 HN GLY 66 -10.745 -0.373 -12.961 1244 1HA GLY 66 HA2 GLY 66 -12.476 0.869 -11.931 1245 2HA GLY 66 HA1 GLY 66 -13.613 -0.380 -12.455 1246 H GLU 67 HN GLU 67 -11.154 -1.958 -11.030 1247 HA GLU 67 HA GLU 67 -12.320 -1.847 -8.271 1248 1HB GLU 67 HB2 GLU 67 -11.558 -4.255 -9.951 1249 2HB GLU 67 HB1 GLU 67 -11.744 -4.341 -8.199 1250 1HG GLU 67 HG2 GLU 67 -14.059 -3.417 -8.455 1251 2HG GLU 67 HG1 GLU 67 -13.862 -3.521 -10.206 1252 H CYS 68 HN CYS 68 -10.665 -2.674 -6.650 1253 HA CYS 68 HA CYS 68 -7.860 -2.141 -7.604 1254 1HB CYS 68 HB2 CYS 68 -9.174 -1.225 -5.034 1255 2HB CYS 68 HB1 CYS 68 -7.462 -1.049 -5.412 1256 HG CYS 68 HG CYS 68 -8.506 1.157 -6.214 1257 H ASP 69 HN ASP 69 -7.214 -4.298 -7.642 1258 HA ASP 69 HA ASP 69 -7.818 -6.276 -5.725 1259 1HB ASP 69 HB2 ASP 69 -5.042 -6.225 -6.871 1260 2HB ASP 69 HB1 ASP 69 -6.179 -7.569 -6.747 1261 H PHE 70 HN PHE 70 -5.300 -7.093 -4.560 1262 HA PHE 70 HA PHE 70 -5.284 -5.297 -2.293 1263 1HB PHE 70 HB2 PHE 70 -3.229 -6.884 -1.717 1264 2HB PHE 70 HB1 PHE 70 -4.885 -7.471 -1.611 1265 HD1 PHE 70 HD1 PHE 70 -5.717 -9.144 -3.081 1266 HD2 PHE 70 HD2 PHE 70 -1.864 -7.397 -3.784 1267 HE1 PHE 70 HE1 PHE 70 -5.256 -10.859 -4.814 1268 HE2 PHE 70 HE2 PHE 70 -1.399 -9.109 -5.515 1269 HZ PHE 70 HZ PHE 70 -3.095 -10.842 -6.029 1270 H GLN 71 HN GLN 71 -2.883 -6.017 -4.840 1271 HA GLN 71 HA GLN 71 -0.858 -4.336 -3.786 1272 1HB GLN 71 HB2 GLN 71 -0.015 -4.292 -6.223 1273 2HB GLN 71 HB1 GLN 71 -0.110 -5.857 -5.423 1274 1HG GLN 71 HG2 GLN 71 -1.022 -6.066 -7.659 1275 2HG GLN 71 HG1 GLN 71 -2.345 -6.212 -6.507 1276 1HE2 GLN 71 HE21 GLN 71 -0.639 -3.400 -8.013 1277 2HE2 GLN 71 HE22 GLN 71 -2.063 -2.619 -8.503 1278 H GLU 72 HN GLU 72 -3.693 -3.573 -5.728 1279 HA GLU 72 HA GLU 72 -2.725 -0.804 -6.133 1280 1HB GLU 72 HB2 GLU 72 -3.892 -2.005 -7.977 1281 2HB GLU 72 HB1 GLU 72 -5.326 -2.132 -6.960 1282 1HG GLU 72 HG2 GLU 72 -5.445 0.340 -6.833 1283 2HG GLU 72 HG1 GLU 72 -4.028 0.452 -7.877 1284 H PHE 73 HN PHE 73 -5.263 -2.605 -4.425 1285 HA PHE 73 HA PHE 73 -6.633 -0.405 -3.340 1286 1HB PHE 73 HB2 PHE 73 -7.559 -2.591 -3.014 1287 2HB PHE 73 HB1 PHE 73 -6.091 -3.156 -2.235 1288 HD1 PHE 73 HD1 PHE 73 -6.822 -3.822 -0.106 1289 HD2 PHE 73 HD2 PHE 73 -7.953 0.051 -1.599 1290 HE1 PHE 73 HE1 PHE 73 -7.792 -3.244 2.093 1291 HE2 PHE 73 HE2 PHE 73 -8.916 0.614 0.603 1292 HZ PHE 73 HZ PHE 73 -8.858 -1.046 2.438 1293 H MET 74 HN MET 74 -3.714 -2.045 -2.160 1294 HA MET 74 HA MET 74 -3.451 -0.461 0.209 1295 1HB MET 74 HB2 MET 74 -2.086 -2.565 -0.672 1296 2HB MET 74 HB1 MET 74 -1.048 -1.344 -1.395 1297 1HG MET 74 HG2 MET 74 0.021 -1.226 0.613 1298 2HG MET 74 HG1 MET 74 -1.415 -0.448 1.262 1299 1HE MET 74 HE1 MET 74 1.017 -2.609 2.365 1300 2HE MET 74 HE2 MET 74 0.100 -3.251 3.725 1301 3HE MET 74 HE3 MET 74 0.053 -1.525 3.377 1302 H ALA 75 HN ALA 75 -2.279 -0.135 -3.089 1303 HA ALA 75 HA ALA 75 -0.907 2.324 -2.871 1304 1HB ALA 75 HB1 ALA 75 -1.240 0.809 -4.958 1305 2HB ALA 75 HB2 ALA 75 -1.099 2.547 -5.209 1306 3HB ALA 75 HB3 ALA 75 -2.682 1.779 -5.247 1307 H PHE 76 HN PHE 76 -4.278 1.752 -2.449 1308 HA PHE 76 HA PHE 76 -5.124 4.485 -3.050 1309 1HB PHE 76 HB2 PHE 76 -6.739 2.582 -3.086 1310 2HB PHE 76 HB1 PHE 76 -6.527 2.405 -1.346 1311 HD1 PHE 76 HD1 PHE 76 -7.101 4.360 0.177 1312 HD2 PHE 76 HD2 PHE 76 -8.233 4.222 -3.966 1313 HE1 PHE 76 HE1 PHE 76 -8.796 6.117 0.578 1314 HE2 PHE 76 HE2 PHE 76 -9.933 5.979 -3.556 1315 HZ PHE 76 HZ PHE 76 -10.220 6.922 -1.277 1316 H VAL 77 HN VAL 77 -4.763 2.675 0.020 1317 HA VAL 77 HA VAL 77 -5.077 4.889 1.760 1318 HB VAL 77 HB VAL 77 -3.336 2.417 2.037 1319 1HG1 VAL 77 HG11 VAL 77 -3.562 2.994 4.526 1320 2HG1 VAL 77 HG12 VAL 77 -4.053 4.603 3.991 1321 3HG1 VAL 77 HG13 VAL 77 -2.453 3.986 3.581 1322 1HG2 VAL 77 HG21 VAL 77 -5.912 2.254 1.817 1323 2HG2 VAL 77 HG22 VAL 77 -5.958 3.000 3.417 1324 3HG2 VAL 77 HG23 VAL 77 -5.153 1.446 3.188 1325 H SER 78 HN SER 78 -2.347 3.769 -0.099 1326 HA SER 78 HA SER 78 -0.293 5.343 1.075 1327 1HB SER 78 HB2 SER 78 -0.078 3.414 -0.580 1328 2HB SER 78 HB1 SER 78 -0.487 4.574 -1.835 1329 HG SER 78 HG SER 78 1.775 4.406 -1.540 1330 H MET 79 HN MET 79 -2.662 6.002 -1.441 1331 HA MET 79 HA MET 79 -1.542 8.560 -2.172 1332 1HB MET 79 HB2 MET 79 -3.004 7.276 -3.716 1333 2HB MET 79 HB1 MET 79 -4.349 7.488 -2.600 1334 1HG MET 79 HG2 MET 79 -4.707 9.663 -3.253 1335 2HG MET 79 HG1 MET 79 -2.985 10.021 -3.365 1336 1HE MET 79 HE1 MET 79 -5.700 7.721 -4.897 1337 2HE MET 79 HE2 MET 79 -5.798 8.336 -6.545 1338 3HE MET 79 HE3 MET 79 -6.207 9.389 -5.193 1339 H VAL 80 HN VAL 80 -3.671 7.388 0.266 1340 HA VAL 80 HA VAL 80 -4.639 10.060 1.009 1341 HB VAL 80 HB VAL 80 -4.908 7.372 2.410 1342 1HG1 VAL 80 HG11 VAL 80 -5.116 9.217 3.993 1343 2HG1 VAL 80 HG12 VAL 80 -6.713 8.538 3.683 1344 3HG1 VAL 80 HG13 VAL 80 -6.236 10.052 2.917 1345 1HG2 VAL 80 HG21 VAL 80 -6.123 7.294 0.341 1346 2HG2 VAL 80 HG22 VAL 80 -6.753 8.924 0.578 1347 3HG2 VAL 80 HG23 VAL 80 -7.305 7.605 1.611 1348 H THR 81 HN THR 81 -2.355 7.561 2.019 1349 HA THR 81 HA THR 81 -1.507 8.931 4.402 1350 HB THR 81 HB THR 81 0.034 6.991 2.653 1351 HG1 THR 81 HG1 THR 81 -1.952 6.157 3.402 1352 1HG2 THR 81 HG21 THR 81 1.596 7.952 4.125 1353 2HG2 THR 81 HG22 THR 81 1.081 6.490 4.968 1354 3HG2 THR 81 HG23 THR 81 0.427 8.058 5.441 1355 H THR 82 HN THR 82 -0.477 8.966 0.961 1356 HA THR 82 HA THR 82 1.848 10.552 1.421 1357 HB THR 82 HB THR 82 1.595 11.083 -1.019 1358 HG1 THR 82 HG1 THR 82 -0.701 9.457 -0.666 1359 1HG2 THR 82 HG21 THR 82 1.421 8.399 -1.474 1360 2HG2 THR 82 HG22 THR 82 1.756 8.393 0.257 1361 3HG2 THR 82 HG23 THR 82 2.871 9.185 -0.854 1362 H ALA 83 HN ALA 83 -1.563 11.526 0.730 1363 HA ALA 83 HA ALA 83 -1.009 14.279 0.370 1364 1HB ALA 83 HB1 ALA 83 -3.442 13.035 1.693 1365 2HB ALA 83 HB2 ALA 83 -3.225 13.183 -0.050 1366 3HB ALA 83 HB3 ALA 83 -3.358 14.631 0.947 1367 H CYS 84 HN CYS 84 -1.712 12.377 3.305 1368 HA CYS 84 HA CYS 84 -1.489 14.630 5.106 1369 1HB CYS 84 HB2 CYS 84 -1.212 11.640 5.494 1370 2HB CYS 84 HB1 CYS 84 -1.027 12.780 6.828 1371 HG CYS 84 HG CYS 84 -3.511 13.599 6.331 1372 H HIS 85 HN HIS 85 0.761 13.017 3.206 1373 HA HIS 85 HA HIS 85 3.073 13.673 4.984 1374 1HB HIS 85 HB2 HIS 85 2.752 11.389 3.792 1375 2HB HIS 85 HB1 HIS 85 3.189 12.246 2.317 1376 HD1 HIS 85 HD1 HIS 85 4.812 10.050 4.287 1377 HD2 HIS 85 HD2 HIS 85 5.734 14.013 3.422 1378 HE1 HIS 85 HE1 HIS 85 7.282 10.326 4.742 1379 H GLU 86 HN GLU 86 1.777 14.237 1.716 1380 HA GLU 86 HA GLU 86 3.890 16.022 0.903 1381 1HB GLU 86 HB2 GLU 86 2.524 14.894 -0.761 1382 2HB GLU 86 HB1 GLU 86 1.061 15.629 -0.114 1383 1HG GLU 86 HG2 GLU 86 1.899 16.759 -2.182 1384 2HG GLU 86 HG1 GLU 86 1.814 17.844 -0.797 1385 H PHE 87 HN PHE 87 0.701 16.507 2.369 1386 HA PHE 87 HA PHE 87 0.578 19.333 2.162 1387 1HB PHE 87 HB2 PHE 87 -1.243 17.743 2.978 1388 2HB PHE 87 HB1 PHE 87 -0.416 17.739 4.534 1389 HD1 PHE 87 HD1 PHE 87 -2.584 19.595 2.289 1390 HD2 PHE 87 HD2 PHE 87 -0.100 19.905 5.780 1391 HE1 PHE 87 HE1 PHE 87 -3.695 21.731 2.891 1392 HE2 PHE 87 HE2 PHE 87 -1.211 22.039 6.380 1393 HZ PHE 87 HZ PHE 87 -3.008 22.951 4.938 1394 H PHE 88 HN PHE 88 1.671 17.423 5.004 1395 HA PHE 88 HA PHE 88 2.744 19.686 6.395 1396 1HB PHE 88 HB2 PHE 88 2.241 17.348 7.329 1397 2HB PHE 88 HB1 PHE 88 3.784 16.854 6.633 1398 HD1 PHE 88 HD1 PHE 88 5.877 17.536 7.604 1399 HD2 PHE 88 HD2 PHE 88 2.164 19.107 9.091 1400 HE1 PHE 88 HE1 PHE 88 7.061 18.479 9.568 1401 HE2 PHE 88 HE2 PHE 88 3.350 20.052 11.054 1402 HZ PHE 88 HZ PHE 88 5.799 19.738 11.292 1403 H GLU 89 HN GLU 89 4.066 17.557 3.931 1404 HA GLU 89 HA GLU 89 6.771 18.729 4.209 1405 1HB GLU 89 HB2 GLU 89 6.192 16.252 3.680 1406 2HB GLU 89 HB1 GLU 89 5.892 16.819 2.040 1407 1HG GLU 89 HG2 GLU 89 8.195 17.795 2.010 1408 2HG GLU 89 HG1 GLU 89 8.476 17.097 3.604 1409 H HIS 90 HN HIS 90 4.020 19.888 2.960 1410 HA HIS 90 HA HIS 90 4.755 20.606 0.266 1411 1HB HIS 90 HB2 HIS 90 2.419 20.723 1.030 1412 2HB HIS 90 HB1 HIS 90 2.850 21.974 2.196 1413 HD1 HIS 90 HD1 HIS 90 1.158 23.578 0.885 1414 HD2 HIS 90 HD2 HIS 90 4.507 22.373 -1.292 1415 HE1 HIS 90 HE1 HIS 90 1.297 25.114 -1.129 1416 HE2 HIS 90 HE2 HIS 90 3.329 24.388 -2.459 1417 H GLU 91 HN GLU 91 6.752 21.595 0.085 1418 HA GLU 91 HA GLU 91 7.788 23.489 1.981 1419 1HB GLU 91 HB2 GLU 91 8.499 22.935 -0.912 1420 2HB GLU 91 HB1 GLU 91 9.407 24.040 0.121 1421 1HG GLU 91 HG2 GLU 91 8.879 21.142 0.831 1422 2HG GLU 91 HG1 GLU 91 10.347 21.695 0.024 Start of MODEL 12 1 1H MET 0 HT1 MET 0 -10.852 3.950 17.260 2 2H MET 0 HT2 MET 0 -12.339 3.297 16.759 3 3H MET 0 HT3 MET 0 -11.364 4.143 15.655 4 HA MET 0 HA MET 0 -9.796 2.102 16.710 5 1HB MET 0 HB2 MET 0 -12.075 1.139 17.313 6 2HB MET 0 HB1 MET 0 -12.414 1.075 15.583 7 1HG MET 0 HG2 MET 0 -10.323 -0.292 15.295 8 2HG MET 0 HG1 MET 0 -10.172 -0.339 17.051 9 1HE MET 0 HE1 MET 0 -12.294 -0.786 14.071 10 2HE MET 0 HE2 MET 0 -13.299 -2.209 14.336 11 3HE MET 0 HE3 MET 0 -11.569 -2.399 14.064 12 H SER 1 HN SER 1 -9.000 3.771 14.957 13 HA SER 1 HA SER 1 -9.737 2.942 12.199 14 1HB SER 1 HB2 SER 1 -9.552 5.322 12.519 15 2HB SER 1 HB1 SER 1 -7.960 5.155 13.257 16 HG SER 1 HG SER 1 -7.218 4.338 11.254 17 H GLU 2 HN GLU 2 -8.789 0.812 12.514 18 HA GLU 2 HA GLU 2 -6.068 0.252 13.088 19 1HB GLU 2 HB2 GLU 2 -8.049 -1.105 11.252 20 2HB GLU 2 HB1 GLU 2 -6.397 -1.708 11.415 21 1HG GLU 2 HG2 GLU 2 -6.682 -2.006 13.802 22 2HG GLU 2 HG1 GLU 2 -8.269 -1.240 13.751 23 H LEU 3 HN LEU 3 -7.581 1.560 10.232 24 HA LEU 3 HA LEU 3 -5.329 1.252 8.479 25 1HB LEU 3 HB2 LEU 3 -8.028 2.045 8.299 26 2HB LEU 3 HB1 LEU 3 -7.130 3.474 7.817 27 HG LEU 3 HG LEU 3 -7.709 2.040 5.911 28 1HD1 LEU 3 HD11 LEU 3 -4.727 1.962 6.364 29 2HD1 LEU 3 HD12 LEU 3 -5.610 3.450 6.025 30 3HD1 LEU 3 HD13 LEU 3 -5.592 2.146 4.841 31 1HD2 LEU 3 HD21 LEU 3 -7.234 -0.196 5.746 32 2HD2 LEU 3 HD22 LEU 3 -7.226 -0.116 7.503 33 3HD2 LEU 3 HD23 LEU 3 -5.707 -0.056 6.613 34 H GLU 4 HN GLU 4 -6.160 3.660 10.895 35 HA GLU 4 HA GLU 4 -4.546 5.792 9.837 36 1HB GLU 4 HB2 GLU 4 -6.195 6.195 11.619 37 2HB GLU 4 HB1 GLU 4 -5.263 5.183 12.721 38 1HG GLU 4 HG2 GLU 4 -3.392 6.707 12.650 39 2HG GLU 4 HG1 GLU 4 -4.145 7.646 11.360 40 H LYS 5 HN LYS 5 -3.874 3.302 12.298 41 HA LYS 5 HA LYS 5 -1.186 3.922 12.845 42 1HB LYS 5 HB2 LYS 5 -2.393 1.143 12.563 43 2HB LYS 5 HB1 LYS 5 -0.912 1.544 13.424 44 1HG LYS 5 HG2 LYS 5 -2.578 1.379 15.104 45 2HG LYS 5 HG1 LYS 5 -2.311 3.104 14.874 46 1HD LYS 5 HD2 LYS 5 -4.416 3.455 14.009 47 2HD LYS 5 HD1 LYS 5 -4.448 1.918 13.156 48 1HE LYS 5 HE2 LYS 5 -6.110 2.010 14.992 49 2HE LYS 5 HE1 LYS 5 -4.919 0.732 15.230 50 1HZ LYS 5 HZ1 LYS 5 -4.288 1.662 17.122 51 2HZ LYS 5 HZ2 LYS 5 -5.540 2.800 16.962 52 3HZ LYS 5 HZ3 LYS 5 -3.990 3.148 16.360 53 H ALA 6 HN ALA 6 -2.574 1.890 10.302 54 HA ALA 6 HA ALA 6 -0.191 0.996 9.128 55 1HB ALA 6 HB1 ALA 6 -2.366 0.097 8.486 56 2HB ALA 6 HB2 ALA 6 -1.514 0.679 7.056 57 3HB ALA 6 HB3 ALA 6 -2.808 1.646 7.766 58 H MET 7 HN MET 7 -2.057 3.848 8.028 59 HA MET 7 HA MET 7 0.014 4.602 6.185 60 1HB MET 7 HB2 MET 7 -1.143 6.837 6.148 61 2HB MET 7 HB1 MET 7 -2.220 5.476 5.839 62 1HG MET 7 HG2 MET 7 -2.977 5.515 8.159 63 2HG MET 7 HG1 MET 7 -1.856 6.821 8.531 64 1HE MET 7 HE1 MET 7 -5.664 6.816 6.061 65 2HE MET 7 HE2 MET 7 -4.555 5.495 6.415 66 3HE MET 7 HE3 MET 7 -4.207 6.594 5.082 67 H VAL 8 HN VAL 8 -0.467 5.189 9.599 68 HA VAL 8 HA VAL 8 1.528 7.318 9.745 69 HB VAL 8 HB VAL 8 0.034 5.625 11.749 70 1HG1 VAL 8 HG11 VAL 8 1.234 7.072 13.519 71 2HG1 VAL 8 HG12 VAL 8 2.451 7.361 12.274 72 3HG1 VAL 8 HG13 VAL 8 2.137 5.718 12.837 73 1HG2 VAL 8 HG21 VAL 8 -1.118 7.567 10.842 74 2HG2 VAL 8 HG22 VAL 8 0.257 8.604 11.218 75 3HG2 VAL 8 HG23 VAL 8 -0.693 7.893 12.521 76 H ALA 9 HN ALA 9 1.473 3.930 10.801 77 HA ALA 9 HA ALA 9 4.146 3.661 11.598 78 1HB ALA 9 HB1 ALA 9 3.919 1.293 11.233 79 2HB ALA 9 HB2 ALA 9 2.637 1.542 10.048 80 3HB ALA 9 HB3 ALA 9 2.344 1.894 11.751 81 H LEU 10 HN LEU 10 2.849 3.728 8.299 82 HA LEU 10 HA LEU 10 5.385 2.912 7.109 83 1HB LEU 10 HB2 LEU 10 2.701 3.766 6.141 84 2HB LEU 10 HB1 LEU 10 4.036 4.056 5.029 85 HG LEU 10 HG LEU 10 3.787 1.354 6.357 86 1HD1 LEU 10 HD11 LEU 10 1.561 1.808 5.415 87 2HD1 LEU 10 HD12 LEU 10 2.404 0.592 4.454 88 3HD1 LEU 10 HD13 LEU 10 2.303 2.254 3.881 89 1HD2 LEU 10 HD21 LEU 10 4.751 2.242 3.614 90 2HD2 LEU 10 HD22 LEU 10 4.900 0.620 4.299 91 3HD2 LEU 10 HD23 LEU 10 5.800 1.964 5.005 92 H ILE 11 HN ILE 11 3.747 6.054 7.558 93 HA ILE 11 HA ILE 11 5.440 7.729 6.123 94 HB ILE 11 HB ILE 11 4.097 8.135 8.806 95 1HG1 ILE 11 HG12 ILE 11 3.594 9.415 6.111 96 2HG1 ILE 11 HG11 ILE 11 2.811 7.926 6.612 97 1HG2 ILE 11 HG21 ILE 11 4.582 10.630 8.290 98 2HG2 ILE 11 HG22 ILE 11 5.852 10.024 7.225 99 3HG2 ILE 11 HG23 ILE 11 5.906 9.669 8.951 100 1HD1 ILE 11 HD11 ILE 11 2.649 10.137 8.589 101 2HD1 ILE 11 HD12 ILE 11 1.408 9.001 8.059 102 3HD1 ILE 11 HD13 ILE 11 1.785 10.415 7.077 103 H ASP 12 HN ASP 12 6.052 6.151 9.231 104 HA ASP 12 HA ASP 12 8.526 7.559 9.741 105 1HB ASP 12 HB2 ASP 12 7.082 6.276 11.440 106 2HB ASP 12 HB1 ASP 12 7.832 4.815 10.799 107 H VAL 13 HN VAL 13 7.829 4.282 8.521 108 HA VAL 13 HA VAL 13 10.629 3.807 7.878 109 HB VAL 13 HB VAL 13 8.216 2.261 6.889 110 1HG1 VAL 13 HG11 VAL 13 9.759 0.419 6.713 111 2HG1 VAL 13 HG12 VAL 13 11.033 1.341 7.516 112 3HG1 VAL 13 HG13 VAL 13 10.497 1.803 5.901 113 1HG2 VAL 13 HG21 VAL 13 7.890 2.289 9.228 114 2HG2 VAL 13 HG22 VAL 13 9.621 2.277 9.566 115 3HG2 VAL 13 HG23 VAL 13 8.829 0.817 8.979 116 H PHE 14 HN PHE 14 7.875 5.131 6.254 117 HA PHE 14 HA PHE 14 8.939 4.807 3.546 118 1HB PHE 14 HB2 PHE 14 6.586 5.081 3.651 119 2HB PHE 14 HB1 PHE 14 6.717 6.480 4.704 120 HD1 PHE 14 HD1 PHE 14 6.016 8.436 3.617 121 HD2 PHE 14 HD2 PHE 14 8.296 5.528 1.426 122 HE1 PHE 14 HE1 PHE 14 6.015 9.923 1.633 123 HE2 PHE 14 HE2 PHE 14 8.296 7.014 -0.552 124 HZ PHE 14 HZ PHE 14 7.154 9.211 -0.450 125 H HIS 15 HN HIS 15 8.796 7.569 5.816 126 HA HIS 15 HA HIS 15 10.324 9.279 4.036 127 1HB HIS 15 HB2 HIS 15 8.698 9.728 6.195 128 2HB HIS 15 HB1 HIS 15 10.271 9.932 6.950 129 HD1 HIS 15 HD1 HIS 15 10.435 12.435 7.131 130 HD2 HIS 15 HD2 HIS 15 9.286 11.237 3.306 131 HE1 HIS 15 HE1 HIS 15 10.370 14.530 5.709 132 H GLN 16 HN GLN 16 11.130 7.067 6.656 133 HA GLN 16 HA GLN 16 13.811 8.016 7.101 134 1HB GLN 16 HB2 GLN 16 12.390 5.407 7.634 135 2HB GLN 16 HB1 GLN 16 14.111 5.586 7.978 136 1HG GLN 16 HG2 GLN 16 12.074 7.566 9.008 137 2HG GLN 16 HG1 GLN 16 12.478 6.100 9.902 138 1HE2 GLN 16 HE21 GLN 16 13.231 8.041 11.440 139 2HE2 GLN 16 HE22 GLN 16 14.859 8.493 11.277 140 H TYR 17 HN TYR 17 12.469 5.558 4.924 141 HA TYR 17 HA TYR 17 15.174 4.988 3.839 142 1HB TYR 17 HB2 TYR 17 12.435 3.783 3.496 143 2HB TYR 17 HB1 TYR 17 13.648 3.506 2.246 144 HD1 TYR 17 HD1 TYR 17 15.688 2.258 2.715 145 HD2 TYR 17 HD2 TYR 17 12.729 2.893 5.762 146 HE1 TYR 17 HE1 TYR 17 16.773 0.535 4.126 147 HE2 TYR 17 HE2 TYR 17 13.814 1.166 7.174 148 HH TYR 17 HH TYR 17 15.299 -0.609 7.089 149 H SER 18 HN SER 18 12.018 6.014 2.491 150 HA SER 18 HA SER 18 12.995 6.829 -0.021 151 1HB SER 18 HB2 SER 18 10.861 8.375 1.452 152 2HB SER 18 HB1 SER 18 10.976 8.033 -0.270 153 HG SER 18 HG SER 18 10.900 5.846 1.433 154 H GLY 19 HN GLY 19 13.468 8.171 3.108 155 1HA GLY 19 HA2 GLY 19 14.470 10.756 2.013 156 2HA GLY 19 HA1 GLY 19 14.157 10.419 3.712 157 H ARG 20 HN ARG 20 15.685 7.693 2.665 158 HA ARG 20 HA ARG 20 18.128 8.273 4.031 159 1HB ARG 20 HB2 ARG 20 17.272 5.971 3.617 160 2HB ARG 20 HB1 ARG 20 17.594 6.177 1.899 161 1HG ARG 20 HG2 ARG 20 20.035 6.641 2.565 162 2HG ARG 20 HG1 ARG 20 19.596 6.054 4.167 163 1HD ARG 20 HD2 ARG 20 19.163 4.478 1.615 164 2HD ARG 20 HD1 ARG 20 20.570 4.289 2.661 165 HE ARG 20 HE ARG 20 17.891 3.284 3.208 166 1HH1 ARG 20 HH21 ARG 20 20.869 4.441 4.498 167 2HH1 ARG 20 HH22 ARG 20 20.706 3.590 5.996 168 1HH2 ARG 20 HH11 ARG 20 17.656 2.168 5.160 169 2HH2 ARG 20 HH12 ARG 20 18.886 2.303 6.372 170 H GLU 21 HN GLU 21 17.265 8.267 0.592 171 HA GLU 21 HA GLU 21 19.269 10.307 0.034 172 1HB GLU 21 HB2 GLU 21 20.363 8.732 -1.757 173 2HB GLU 21 HB1 GLU 21 20.880 8.609 -0.076 174 1HG GLU 21 HG2 GLU 21 19.479 6.692 0.302 175 2HG GLU 21 HG1 GLU 21 18.682 6.896 -1.256 176 H GLY 22 HN GLY 22 19.317 10.720 -2.443 177 1HA GLY 22 HA2 GLY 22 18.165 10.660 -4.573 178 2HA GLY 22 HA1 GLY 22 16.781 9.904 -3.781 179 H ASP 23 HN ASP 23 15.639 11.719 -5.007 180 HA ASP 23 HA ASP 23 15.911 14.451 -4.527 181 1HB ASP 23 HB2 ASP 23 13.407 12.772 -4.805 182 2HB ASP 23 HB1 ASP 23 13.365 14.534 -4.724 183 H LYS 24 HN LYS 24 13.563 12.452 -2.702 184 HA LYS 24 HA LYS 24 14.542 13.182 -0.139 185 1HB LYS 24 HB2 LYS 24 13.265 15.354 -1.363 186 2HB LYS 24 HB1 LYS 24 11.998 14.686 -0.346 187 1HG LYS 24 HG2 LYS 24 14.789 15.308 0.673 188 2HG LYS 24 HG1 LYS 24 13.456 16.452 0.752 189 1HD LYS 24 HD2 LYS 24 12.348 15.284 2.416 190 2HD LYS 24 HD1 LYS 24 12.906 13.716 1.844 191 1HE LYS 24 HE2 LYS 24 15.026 13.966 2.879 192 2HE LYS 24 HE1 LYS 24 14.805 15.701 3.102 193 1HZ LYS 24 HZ1 LYS 24 12.756 14.104 4.336 194 2HZ LYS 24 HZ2 LYS 24 13.669 15.386 4.976 195 3HZ LYS 24 HZ3 LYS 24 14.303 13.810 4.966 196 H HIS 25 HN HIS 25 11.608 12.400 -2.029 197 HA HIS 25 HA HIS 25 10.968 10.348 0.060 198 1HB HIS 25 HB2 HIS 25 8.817 11.922 -1.358 199 2HB HIS 25 HB1 HIS 25 8.668 10.907 0.074 200 HD2 HIS 25 HD2 HIS 25 10.945 12.258 2.009 201 HE1 HIS 25 HE1 HIS 25 8.991 15.912 1.219 202 HE2 HIS 25 HE2 HIS 25 10.634 14.735 2.750 203 H LYS 26 HN LYS 26 12.269 9.268 -1.833 204 HA LYS 26 HA LYS 26 10.245 7.886 -3.495 205 1HB LYS 26 HB2 LYS 26 11.382 9.772 -4.836 206 2HB LYS 26 HB1 LYS 26 12.859 8.818 -4.701 207 1HG LYS 26 HG2 LYS 26 11.519 6.856 -5.635 208 2HG LYS 26 HG1 LYS 26 10.260 8.029 -6.027 209 1HD LYS 26 HD2 LYS 26 13.131 8.126 -6.985 210 2HD LYS 26 HD1 LYS 26 11.729 7.677 -7.960 211 1HE LYS 26 HE2 LYS 26 10.790 10.010 -7.248 212 2HE LYS 26 HE1 LYS 26 12.470 10.377 -6.851 213 1HZ LYS 26 HZ1 LYS 26 11.971 9.126 -9.432 214 2HZ LYS 26 HZ2 LYS 26 13.089 10.333 -9.005 215 3HZ LYS 26 HZ3 LYS 26 11.458 10.735 -9.259 216 H LEU 27 HN LEU 27 10.931 5.699 -3.959 217 HA LEU 27 HA LEU 27 13.120 4.794 -2.154 218 1HB LEU 27 HB2 LEU 27 10.706 3.485 -3.346 219 2HB LEU 27 HB1 LEU 27 12.087 2.461 -2.987 220 HG LEU 27 HG LEU 27 11.987 3.652 -0.609 221 1HD1 LEU 27 HD11 LEU 27 9.163 3.970 -1.644 222 2HD1 LEU 27 HD12 LEU 27 10.262 5.287 -1.234 223 3HD1 LEU 27 HD13 LEU 27 9.675 4.203 0.028 224 1HD2 LEU 27 HD21 LEU 27 9.998 1.582 -1.542 225 2HD2 LEU 27 HD22 LEU 27 10.432 1.886 0.138 226 3HD2 LEU 27 HD23 LEU 27 11.641 1.271 -0.986 227 H LYS 28 HN LYS 28 14.947 4.122 -2.854 228 HA LYS 28 HA LYS 28 15.372 3.556 -5.776 229 1HB LYS 28 HB2 LYS 28 17.646 4.034 -3.858 230 2HB LYS 28 HB1 LYS 28 17.556 4.357 -5.592 231 1HG LYS 28 HG2 LYS 28 15.677 6.075 -4.885 232 2HG LYS 28 HG1 LYS 28 16.452 5.971 -3.304 233 1HD LYS 28 HD2 LYS 28 17.719 6.806 -5.920 234 2HD LYS 28 HD1 LYS 28 17.463 7.802 -4.491 235 1HE LYS 28 HE2 LYS 28 19.696 7.248 -4.182 236 2HE LYS 28 HE1 LYS 28 18.946 5.895 -3.338 237 1HZ LYS 28 HZ1 LYS 28 19.048 5.239 -6.038 238 2HZ LYS 28 HZ2 LYS 28 19.928 4.543 -4.762 239 3HZ LYS 28 HZ3 LYS 28 20.573 5.855 -5.629 240 H LYS 29 HN LYS 29 16.789 1.652 -6.223 241 HA LYS 29 HA LYS 29 16.018 -0.680 -4.939 242 1HB LYS 29 HB2 LYS 29 17.637 -0.196 -7.040 243 2HB LYS 29 HB1 LYS 29 18.879 -0.582 -5.854 244 1HG LYS 29 HG2 LYS 29 17.919 -2.762 -5.450 245 2HG LYS 29 HG1 LYS 29 16.483 -2.370 -6.397 246 1HD LYS 29 HD2 LYS 29 18.120 -3.790 -7.644 247 2HD LYS 29 HD1 LYS 29 17.786 -2.252 -8.436 248 1HE LYS 29 HE2 LYS 29 19.870 -1.346 -7.844 249 2HE LYS 29 HE1 LYS 29 20.111 -2.502 -6.534 250 1HZ LYS 29 HZ1 LYS 29 20.381 -4.253 -8.139 251 2HZ LYS 29 HZ2 LYS 29 21.473 -3.000 -8.489 252 3HZ LYS 29 HZ3 LYS 29 20.065 -3.191 -9.422 253 H SER 30 HN SER 30 18.897 1.269 -4.141 254 HA SER 30 HA SER 30 19.963 -0.254 -2.047 255 1HB SER 30 HB2 SER 30 19.714 2.743 -2.362 256 2HB SER 30 HB1 SER 30 20.560 2.020 -0.997 257 HG SER 30 HG SER 30 21.406 2.388 -3.510 258 H GLU 31 HN GLU 31 16.879 1.186 -2.218 259 HA GLU 31 HA GLU 31 16.495 1.101 0.750 260 1HB GLU 31 HB2 GLU 31 14.548 2.050 -1.370 261 2HB GLU 31 HB1 GLU 31 14.445 2.310 0.372 262 1HG GLU 31 HG2 GLU 31 16.731 3.501 0.140 263 2HG GLU 31 HG1 GLU 31 16.394 3.526 -1.591 264 H LEU 32 HN LEU 32 15.184 -0.216 -2.272 265 HA LEU 32 HA LEU 32 13.233 -1.842 -1.013 266 1HB LEU 32 HB2 LEU 32 13.896 -1.302 -3.615 267 2HB LEU 32 HB1 LEU 32 14.506 -2.947 -3.476 268 HG LEU 32 HG LEU 32 11.690 -2.093 -2.729 269 1HD1 LEU 32 HD11 LEU 32 12.885 -3.073 -5.299 270 2HD1 LEU 32 HD12 LEU 32 11.582 -1.918 -5.031 271 3HD1 LEU 32 HD13 LEU 32 11.273 -3.644 -4.860 272 1HD2 LEU 32 HD21 LEU 32 13.157 -4.732 -2.795 273 2HD2 LEU 32 HD22 LEU 32 11.401 -4.665 -2.928 274 3HD2 LEU 32 HD23 LEU 32 12.199 -4.031 -1.494 275 H LYS 33 HN LYS 33 16.566 -2.696 -2.040 276 HA LYS 33 HA LYS 33 16.475 -5.333 -0.908 277 1HB LYS 33 HB2 LYS 33 18.101 -4.258 -2.630 278 2HB LYS 33 HB1 LYS 33 18.967 -3.661 -1.217 279 1HG LYS 33 HG2 LYS 33 18.937 -6.118 -0.392 280 2HG LYS 33 HG1 LYS 33 18.489 -6.528 -2.046 281 1HD LYS 33 HD2 LYS 33 20.784 -6.622 -2.297 282 2HD LYS 33 HD1 LYS 33 20.551 -4.903 -2.619 283 1HE LYS 33 HE2 LYS 33 22.317 -5.007 -1.023 284 2HE LYS 33 HE1 LYS 33 20.888 -4.555 -0.093 285 1HZ LYS 33 HZ1 LYS 33 22.368 -6.444 0.772 286 2HZ LYS 33 HZ2 LYS 33 21.627 -7.390 -0.429 287 3HZ LYS 33 HZ3 LYS 33 20.687 -6.668 0.787 288 H GLU 34 HN GLU 34 17.428 -2.172 0.361 289 HA GLU 34 HA GLU 34 18.408 -3.332 2.876 290 1HB GLU 34 HB2 GLU 34 17.797 -0.460 2.132 291 2HB GLU 34 HB1 GLU 34 18.505 -0.957 3.665 292 1HG GLU 34 HG2 GLU 34 20.422 -1.936 2.515 293 2HG GLU 34 HG1 GLU 34 19.716 -1.541 0.948 294 H LEU 35 HN LEU 35 15.403 -1.973 1.722 295 HA LEU 35 HA LEU 35 14.190 -1.702 4.325 296 1HB LEU 35 HB2 LEU 35 13.396 -0.464 2.346 297 2HB LEU 35 HB1 LEU 35 12.935 -1.982 1.580 298 HG LEU 35 HG LEU 35 11.413 -2.391 3.610 299 1HD1 LEU 35 HD11 LEU 35 12.235 0.478 4.094 300 2HD1 LEU 35 HD12 LEU 35 12.222 -0.866 5.235 301 3HD1 LEU 35 HD13 LEU 35 10.706 -0.166 4.681 302 1HD2 LEU 35 HD21 LEU 35 10.777 0.058 1.949 303 2HD2 LEU 35 HD22 LEU 35 9.633 -1.069 2.681 304 3HD2 LEU 35 HD23 LEU 35 10.655 -1.596 1.346 305 H ILE 36 HN ILE 36 14.359 -4.357 1.962 306 HA ILE 36 HA ILE 36 12.407 -5.971 3.436 307 HB ILE 36 HB ILE 36 13.156 -7.827 1.940 308 1HG1 ILE 36 HG12 ILE 36 15.134 -5.710 1.079 309 2HG1 ILE 36 HG11 ILE 36 15.465 -7.354 1.600 310 1HG2 ILE 36 HG21 ILE 36 12.659 -5.282 0.391 311 2HG2 ILE 36 HG22 ILE 36 11.403 -6.093 1.320 312 3HG2 ILE 36 HG23 ILE 36 12.163 -6.918 -0.044 313 1HD1 ILE 36 HD11 ILE 36 14.380 -6.383 -1.029 314 2HD1 ILE 36 HD12 ILE 36 14.004 -8.019 -0.482 315 3HD1 ILE 36 HD13 ILE 36 15.678 -7.527 -0.713 316 H ASN 37 HN ASN 37 15.911 -5.654 3.330 317 HA ASN 37 HA ASN 37 16.368 -8.007 4.999 318 1HB ASN 37 HB2 ASN 37 18.087 -7.283 3.429 319 2HB ASN 37 HB1 ASN 37 18.179 -5.708 4.215 320 1HD2 ASN 37 HD21 ASN 37 20.190 -5.722 5.264 321 2HD2 ASN 37 HD22 ASN 37 20.719 -6.950 6.308 322 H ASN 38 HN ASN 38 15.673 -4.657 5.519 323 HA ASN 38 HA ASN 38 16.572 -4.781 8.355 324 1HB ASN 38 HB2 ASN 38 15.539 -2.513 6.644 325 2HB ASN 38 HB1 ASN 38 15.975 -2.341 8.346 326 1HD2 ASN 38 HD21 ASN 38 17.412 -0.877 6.384 327 2HD2 ASN 38 HD22 ASN 38 18.985 -1.505 6.266 328 H GLU 39 HN GLU 39 13.535 -4.190 6.539 329 HA GLU 39 HA GLU 39 12.058 -4.376 9.145 330 1HB GLU 39 HB2 GLU 39 11.187 -3.348 6.430 331 2HB GLU 39 HB1 GLU 39 10.172 -3.394 7.872 332 1HG GLU 39 HG2 GLU 39 12.845 -1.980 7.807 333 2HG GLU 39 HG1 GLU 39 11.329 -1.167 7.417 334 H LEU 40 HN LEU 40 11.288 -5.293 5.766 335 HA LEU 40 HA LEU 40 9.637 -7.489 6.703 336 1HB LEU 40 HB2 LEU 40 10.602 -7.389 3.867 337 2HB LEU 40 HB1 LEU 40 8.995 -7.747 4.492 338 HG LEU 40 HG LEU 40 10.314 -5.025 4.276 339 1HD1 LEU 40 HD11 LEU 40 8.621 -4.558 2.670 340 2HD1 LEU 40 HD12 LEU 40 7.685 -5.981 3.129 341 3HD1 LEU 40 HD13 LEU 40 9.208 -6.171 2.261 342 1HD2 LEU 40 HD21 LEU 40 9.111 -4.731 6.268 343 2HD2 LEU 40 HD22 LEU 40 7.909 -5.947 5.843 344 3HD2 LEU 40 HD23 LEU 40 7.866 -4.355 5.085 345 H SER 41 HN SER 41 12.393 -7.636 7.660 346 HA SER 41 HA SER 41 13.641 -9.802 6.096 347 1HB SER 41 HB2 SER 41 15.336 -8.535 7.017 348 2HB SER 41 HB1 SER 41 14.380 -8.080 8.418 349 HG SER 41 HG SER 41 16.008 -10.279 7.983 350 H HIS 42 HN HIS 42 11.490 -9.459 8.801 351 HA HIS 42 HA HIS 42 12.098 -12.109 9.908 352 1HB HIS 42 HB2 HIS 42 9.866 -10.133 10.472 353 2HB HIS 42 HB1 HIS 42 10.113 -11.638 11.360 354 HD1 HIS 42 HD1 HIS 42 12.653 -11.864 12.435 355 HD2 HIS 42 HD2 HIS 42 11.324 -8.019 11.514 356 HE1 HIS 42 HE1 HIS 42 14.147 -10.264 13.711 357 HE2 HIS 42 HE2 HIS 42 13.348 -7.921 13.156 358 H PHE 43 HN PHE 43 10.019 -10.742 7.506 359 HA PHE 43 HA PHE 43 8.539 -13.346 7.248 360 1HB PHE 43 HB2 PHE 43 7.744 -10.605 6.217 361 2HB PHE 43 HB1 PHE 43 6.787 -12.081 6.111 362 HD1 PHE 43 HD1 PHE 43 5.720 -13.045 8.095 363 HD2 PHE 43 HD2 PHE 43 8.019 -9.424 8.333 364 HE1 PHE 43 HE1 PHE 43 4.761 -12.584 10.335 365 HE2 PHE 43 HE2 PHE 43 7.060 -8.963 10.574 366 HZ PHE 43 HZ PHE 43 5.431 -10.543 11.574 367 H LEU 44 HN LEU 44 10.058 -10.679 5.426 368 HA LEU 44 HA LEU 44 10.099 -12.358 2.999 369 1HB LEU 44 HB2 LEU 44 9.851 -9.625 3.394 370 2HB LEU 44 HB1 LEU 44 11.539 -9.764 2.918 371 HG LEU 44 HG LEU 44 10.609 -11.286 0.988 372 1HD1 LEU 44 HD11 LEU 44 8.287 -11.333 1.983 373 2HD1 LEU 44 HD12 LEU 44 8.337 -10.799 0.304 374 3HD1 LEU 44 HD13 LEU 44 8.153 -9.619 1.601 375 1HD2 LEU 44 HD21 LEU 44 10.280 -8.278 1.136 376 2HD2 LEU 44 HD22 LEU 44 10.086 -9.189 -0.363 377 3HD2 LEU 44 HD23 LEU 44 11.640 -9.185 0.470 378 H GLU 45 HN GLU 45 11.919 -13.384 2.244 379 HA GLU 45 HA GLU 45 14.152 -13.752 4.034 380 1HB GLU 45 HB2 GLU 45 13.629 -14.548 1.162 381 2HB GLU 45 HB1 GLU 45 15.159 -14.910 1.962 382 1HG GLU 45 HG2 GLU 45 13.846 -16.044 3.793 383 2HG GLU 45 HG1 GLU 45 12.396 -15.826 2.811 384 H GLU 46 HN GLU 46 16.220 -12.858 3.931 385 HA GLU 46 HA GLU 46 16.440 -10.266 2.651 386 1HB GLU 46 HB2 GLU 46 19.051 -11.240 3.455 387 2HB GLU 46 HB1 GLU 46 18.073 -9.993 4.220 388 1HG GLU 46 HG2 GLU 46 17.806 -12.975 4.724 389 2HG GLU 46 HG1 GLU 46 18.615 -11.826 5.786 390 H ILE 47 HN ILE 47 16.675 -10.133 0.465 391 HA ILE 47 HA ILE 47 17.822 -12.321 -1.067 392 HB ILE 47 HB ILE 47 17.143 -11.167 -2.984 393 1HG1 ILE 47 HG12 ILE 47 17.575 -8.598 -1.410 394 2HG1 ILE 47 HG11 ILE 47 18.500 -9.160 -2.793 395 1HG2 ILE 47 HG21 ILE 47 15.262 -11.567 -1.374 396 2HG2 ILE 47 HG22 ILE 47 14.955 -10.245 -2.502 397 3HG2 ILE 47 HG23 ILE 47 15.424 -9.895 -0.838 398 1HD1 ILE 47 HD11 ILE 47 15.572 -8.348 -2.878 399 2HD1 ILE 47 HD12 ILE 47 16.524 -8.925 -4.239 400 3HD1 ILE 47 HD13 ILE 47 16.925 -7.400 -3.477 401 H LYS 48 HN LYS 48 19.921 -12.599 -1.640 402 HA LYS 48 HA LYS 48 21.883 -10.475 -0.921 403 1HB LYS 48 HB2 LYS 48 22.247 -13.347 -1.861 404 2HB LYS 48 HB1 LYS 48 23.571 -12.248 -1.469 405 1HG LYS 48 HG2 LYS 48 22.943 -12.140 0.824 406 2HG LYS 48 HG1 LYS 48 21.366 -12.859 0.504 407 1HD LYS 48 HD2 LYS 48 22.890 -14.514 1.515 408 2HD LYS 48 HD1 LYS 48 22.453 -14.981 -0.128 409 1HE LYS 48 HE2 LYS 48 24.944 -15.152 0.516 410 2HE LYS 48 HE1 LYS 48 24.561 -14.330 -0.996 411 1HZ LYS 48 HZ1 LYS 48 24.833 -12.234 0.020 412 2HZ LYS 48 HZ2 LYS 48 26.176 -13.162 0.492 413 3HZ LYS 48 HZ3 LYS 48 24.896 -12.903 1.578 414 H GLU 49 HN GLU 49 20.016 -11.529 -3.461 415 HA GLU 49 HA GLU 49 21.808 -10.265 -5.515 416 1HB GLU 49 HB2 GLU 49 19.726 -12.399 -6.066 417 2HB GLU 49 HB1 GLU 49 20.969 -11.795 -7.161 418 1HG GLU 49 HG2 GLU 49 22.726 -12.756 -5.760 419 2HG GLU 49 HG1 GLU 49 21.528 -13.290 -4.581 420 H GLN 50 HN GLN 50 20.883 -8.579 -6.596 421 HA GLN 50 HA GLN 50 18.265 -7.641 -5.765 422 1HB GLN 50 HB2 GLN 50 18.823 -6.041 -7.881 423 2HB GLN 50 HB1 GLN 50 19.573 -5.806 -6.303 424 1HG GLN 50 HG2 GLN 50 21.180 -5.842 -8.277 425 2HG GLN 50 HG1 GLN 50 21.564 -6.957 -6.969 426 1HE2 GLN 50 HE21 GLN 50 19.845 -6.865 -10.135 427 2HE2 GLN 50 HE22 GLN 50 20.187 -8.478 -10.536 428 H GLU 51 HN GLU 51 19.369 -9.828 -8.122 429 HA GLU 51 HA GLU 51 17.892 -9.592 -10.361 430 1HB GLU 51 HB2 GLU 51 19.355 -11.524 -9.818 431 2HB GLU 51 HB1 GLU 51 18.073 -12.163 -8.789 432 1HG GLU 51 HG2 GLU 51 16.579 -12.393 -10.672 433 2HG GLU 51 HG1 GLU 51 17.705 -11.546 -11.732 434 H VAL 52 HN VAL 52 16.469 -10.936 -7.349 435 HA VAL 52 HA VAL 52 13.886 -11.154 -8.637 436 HB VAL 52 HB VAL 52 13.001 -11.583 -6.385 437 1HG1 VAL 52 HG11 VAL 52 15.727 -12.885 -6.611 438 2HG1 VAL 52 HG12 VAL 52 14.352 -13.349 -7.615 439 3HG1 VAL 52 HG13 VAL 52 14.276 -13.554 -5.866 440 1HG2 VAL 52 HG21 VAL 52 14.180 -9.914 -5.099 441 2HG2 VAL 52 HG22 VAL 52 15.738 -10.619 -5.535 442 3HG2 VAL 52 HG23 VAL 52 14.650 -11.490 -4.457 443 H VAL 53 HN VAL 53 15.562 -8.754 -6.725 444 HA VAL 53 HA VAL 53 13.288 -7.024 -6.440 445 HB VAL 53 HB VAL 53 16.025 -7.049 -5.614 446 1HG1 VAL 53 HG11 VAL 53 15.301 -4.442 -6.986 447 2HG1 VAL 53 HG12 VAL 53 16.549 -5.566 -7.522 448 3HG1 VAL 53 HG13 VAL 53 16.727 -4.718 -5.986 449 1HG2 VAL 53 HG21 VAL 53 15.245 -5.096 -4.179 450 2HG2 VAL 53 HG22 VAL 53 14.291 -6.574 -4.060 451 3HG2 VAL 53 HG23 VAL 53 13.701 -5.221 -5.020 452 H ASP 54 HN ASP 54 15.456 -7.787 -9.007 453 HA ASP 54 HA ASP 54 14.835 -5.371 -10.567 454 1HB ASP 54 HB2 ASP 54 16.162 -8.003 -11.301 455 2HB ASP 54 HB1 ASP 54 15.937 -6.671 -12.436 456 H LYS 55 HN LYS 55 13.756 -8.708 -10.276 457 HA LYS 55 HA LYS 55 11.896 -8.512 -12.524 458 1HB LYS 55 HB2 LYS 55 12.795 -10.690 -11.897 459 2HB LYS 55 HB1 LYS 55 12.130 -10.537 -10.275 460 1HG LYS 55 HG2 LYS 55 10.157 -10.218 -12.494 461 2HG LYS 55 HG1 LYS 55 10.845 -11.830 -12.332 462 1HD LYS 55 HD2 LYS 55 9.816 -10.419 -9.874 463 2HD LYS 55 HD1 LYS 55 8.676 -11.191 -10.972 464 1HE LYS 55 HE2 LYS 55 11.094 -12.644 -9.882 465 2HE LYS 55 HE1 LYS 55 9.542 -12.634 -9.045 466 1HZ LYS 55 HZ1 LYS 55 10.199 -14.430 -10.886 467 2HZ LYS 55 HZ2 LYS 55 9.457 -13.266 -11.878 468 3HZ LYS 55 HZ3 LYS 55 8.599 -13.954 -10.583 469 H VAL 56 HN VAL 56 11.569 -8.492 -8.946 470 HA VAL 56 HA VAL 56 8.770 -8.181 -8.854 471 HB VAL 56 HB VAL 56 10.610 -8.371 -6.919 472 1HG1 VAL 56 HG11 VAL 56 9.957 -5.419 -6.791 473 2HG1 VAL 56 HG12 VAL 56 11.476 -6.035 -7.434 474 3HG1 VAL 56 HG13 VAL 56 11.051 -6.328 -5.751 475 1HG2 VAL 56 HG21 VAL 56 8.882 -7.566 -5.300 476 2HG2 VAL 56 HG22 VAL 56 8.224 -8.637 -6.535 477 3HG2 VAL 56 HG23 VAL 56 7.976 -6.897 -6.655 478 H MET 57 HN MET 57 11.334 -5.750 -9.252 479 HA MET 57 HA MET 57 9.768 -3.412 -9.277 480 1HB MET 57 HB2 MET 57 12.408 -4.139 -10.067 481 2HB MET 57 HB1 MET 57 11.714 -3.342 -11.467 482 1HG MET 57 HG2 MET 57 12.687 -1.588 -10.222 483 2HG MET 57 HG1 MET 57 10.977 -1.495 -9.809 484 1HE MET 57 HE1 MET 57 14.183 -0.895 -8.222 485 2HE MET 57 HE2 MET 57 13.303 -0.562 -6.733 486 3HE MET 57 HE3 MET 57 12.664 0.017 -8.277 487 H GLU 58 HN GLU 58 10.243 -5.849 -11.784 488 HA GLU 58 HA GLU 58 8.810 -4.526 -13.873 489 1HB GLU 58 HB2 GLU 58 10.284 -6.666 -13.979 490 2HB GLU 58 HB1 GLU 58 8.826 -7.526 -13.485 491 1HG GLU 58 HG2 GLU 58 7.617 -6.687 -15.428 492 2HG GLU 58 HG1 GLU 58 8.996 -5.689 -15.895 493 H THR 59 HN THR 59 7.804 -6.356 -11.074 494 HA THR 59 HA THR 59 5.007 -6.506 -11.992 495 HB THR 59 HB THR 59 6.145 -7.203 -9.274 496 HG1 THR 59 HG1 THR 59 7.182 -8.483 -10.729 497 1HG2 THR 59 HG21 THR 59 4.124 -8.717 -9.280 498 2HG2 THR 59 HG22 THR 59 3.596 -7.891 -10.745 499 3HG2 THR 59 HG23 THR 59 3.750 -6.994 -9.235 500 H LEU 60 HN LEU 60 7.023 -4.531 -9.901 501 HA LEU 60 HA LEU 60 4.611 -3.086 -8.891 502 1HB LEU 60 HB2 LEU 60 7.480 -3.282 -8.025 503 2HB LEU 60 HB1 LEU 60 6.560 -1.852 -7.566 504 HG LEU 60 HG LEU 60 6.486 -3.673 -5.853 505 1HD1 LEU 60 HD11 LEU 60 4.482 -1.988 -6.552 506 2HD1 LEU 60 HD12 LEU 60 4.331 -3.158 -5.247 507 3HD1 LEU 60 HD13 LEU 60 3.659 -3.525 -6.832 508 1HD2 LEU 60 HD21 LEU 60 5.482 -5.764 -6.283 509 2HD2 LEU 60 HD22 LEU 60 6.458 -5.477 -7.722 510 3HD2 LEU 60 HD23 LEU 60 4.718 -5.196 -7.766 511 H ASP 61 HN ASP 61 7.752 -2.292 -10.524 512 HA ASP 61 HA ASP 61 7.224 0.452 -10.892 513 1HB ASP 61 HB2 ASP 61 9.350 -0.875 -11.365 514 2HB ASP 61 HB1 ASP 61 8.607 -1.324 -12.900 515 H GLU 62 HN GLU 62 5.287 1.086 -11.596 516 HA GLU 62 HA GLU 62 4.003 -0.270 -13.890 517 1HB GLU 62 HB2 GLU 62 2.698 0.507 -11.838 518 2HB GLU 62 HB1 GLU 62 2.994 2.157 -12.383 519 1HG GLU 62 HG2 GLU 62 1.723 0.069 -14.169 520 2HG GLU 62 HG1 GLU 62 0.775 1.119 -13.117 521 H ASP 63 HN ASP 63 5.396 2.854 -13.018 522 HA ASP 63 HA ASP 63 4.937 3.933 -15.702 523 1HB ASP 63 HB2 ASP 63 6.544 5.755 -14.777 524 2HB ASP 63 HB1 ASP 63 4.959 5.597 -14.020 525 H GLY 64 HN GLY 64 7.070 1.699 -14.379 526 1HA GLY 64 HA2 GLY 64 9.011 0.727 -15.311 527 2HA GLY 64 HA1 GLY 64 8.685 1.656 -16.772 528 H ASP 65 HN ASP 65 9.332 2.756 -13.432 529 HA ASP 65 HA ASP 65 11.402 4.605 -14.563 530 1HB ASP 65 HB2 ASP 65 11.214 5.684 -12.284 531 2HB ASP 65 HB1 ASP 65 9.733 5.725 -13.241 532 H GLY 66 HN GLY 66 11.230 1.609 -13.061 533 1HA GLY 66 HA2 GLY 66 12.985 0.266 -12.214 534 2HA GLY 66 HA1 GLY 66 14.103 1.587 -12.572 535 H GLU 67 HN GLU 67 11.705 3.026 -10.974 536 HA GLU 67 HA GLU 67 12.946 2.625 -8.269 537 1HB GLU 67 HB2 GLU 67 11.612 5.120 -9.380 538 2HB GLU 67 HB1 GLU 67 12.403 4.962 -7.810 539 1HG GLU 67 HG2 GLU 67 14.531 4.377 -9.036 540 2HG GLU 67 HG1 GLU 67 13.707 4.798 -10.539 541 H CYS 68 HN CYS 68 11.284 3.243 -6.508 542 HA CYS 68 HA CYS 68 8.545 2.300 -7.314 543 1HB CYS 68 HB2 CYS 68 10.165 1.689 -4.826 544 2HB CYS 68 HB1 CYS 68 8.444 1.337 -4.980 545 HG CYS 68 HG CYS 68 10.271 -0.635 -5.808 546 H ASP 69 HN ASP 69 7.815 4.511 -7.495 547 HA ASP 69 HA ASP 69 8.181 6.549 -5.601 548 1HB ASP 69 HB2 ASP 69 5.506 6.104 -6.927 549 2HB ASP 69 HB1 ASP 69 6.328 7.627 -6.583 550 H PHE 70 HN PHE 70 5.921 7.300 -4.285 551 HA PHE 70 HA PHE 70 5.770 5.381 -2.134 552 1HB PHE 70 HB2 PHE 70 3.891 7.077 -1.408 553 2HB PHE 70 HB1 PHE 70 5.579 7.574 -1.386 554 HD1 PHE 70 HD1 PHE 70 6.294 9.426 -2.646 555 HD2 PHE 70 HD2 PHE 70 2.545 7.565 -3.579 556 HE1 PHE 70 HE1 PHE 70 5.814 11.218 -4.295 557 HE2 PHE 70 HE2 PHE 70 2.063 9.348 -5.228 558 HZ PHE 70 HZ PHE 70 3.697 11.177 -5.586 559 H GLN 71 HN GLN 71 3.754 6.109 -4.891 560 HA GLN 71 HA GLN 71 1.353 4.939 -3.915 561 1HB GLN 71 HB2 GLN 71 1.429 6.561 -5.774 562 2HB GLN 71 HB1 GLN 71 2.224 5.346 -6.779 563 1HG GLN 71 HG2 GLN 71 0.315 3.891 -6.657 564 2HG GLN 71 HG1 GLN 71 -0.454 4.918 -5.443 565 1HE2 GLN 71 HE21 GLN 71 1.210 5.927 -8.464 566 2HE2 GLN 71 HE22 GLN 71 -0.156 6.668 -9.150 567 H GLU 72 HN GLU 72 3.891 3.594 -6.070 568 HA GLU 72 HA GLU 72 2.500 0.991 -5.985 569 1HB GLU 72 HB2 GLU 72 4.087 0.259 -7.606 570 2HB GLU 72 HB1 GLU 72 3.611 1.893 -8.062 571 1HG GLU 72 HG2 GLU 72 5.757 2.473 -6.472 572 2HG GLU 72 HG1 GLU 72 6.251 0.889 -7.074 573 H PHE 73 HN PHE 73 5.259 2.628 -4.540 574 HA PHE 73 HA PHE 73 6.640 0.417 -3.507 575 1HB PHE 73 HB2 PHE 73 7.603 2.563 -3.111 576 2HB PHE 73 HB1 PHE 73 6.123 3.156 -2.373 577 HD1 PHE 73 HD1 PHE 73 7.681 -0.152 -1.595 578 HD2 PHE 73 HD2 PHE 73 7.023 3.898 -0.304 579 HE1 PHE 73 HE1 PHE 73 8.556 -0.718 0.639 580 HE2 PHE 73 HE2 PHE 73 7.902 3.314 1.937 581 HZ PHE 73 HZ PHE 73 8.686 1.027 2.399 582 H MET 74 HN MET 74 3.795 2.100 -2.133 583 HA MET 74 HA MET 74 3.588 0.357 0.124 584 1HB MET 74 HB2 MET 74 2.182 2.561 -0.704 585 2HB MET 74 HB1 MET 74 1.029 1.296 -1.113 586 1HG MET 74 HG2 MET 74 1.601 0.438 1.344 587 2HG MET 74 HG1 MET 74 2.064 2.121 1.578 588 1HE MET 74 HE1 MET 74 0.049 1.882 3.533 589 2HE MET 74 HE2 MET 74 -1.132 3.095 3.059 590 3HE MET 74 HE3 MET 74 0.581 3.407 2.811 591 H ALA 75 HN ALA 75 2.308 0.254 -3.163 592 HA ALA 75 HA ALA 75 0.816 -2.158 -2.963 593 1HB ALA 75 HB1 ALA 75 2.519 -1.594 -5.384 594 2HB ALA 75 HB2 ALA 75 1.111 -0.605 -5.016 595 3HB ALA 75 HB3 ALA 75 0.926 -2.330 -5.309 596 H PHE 76 HN PHE 76 4.226 -1.722 -2.714 597 HA PHE 76 HA PHE 76 4.930 -4.475 -3.399 598 1HB PHE 76 HB2 PHE 76 6.711 -2.837 -3.507 599 2HB PHE 76 HB1 PHE 76 6.435 -2.359 -1.843 600 HD1 PHE 76 HD1 PHE 76 8.048 -3.101 -0.344 601 HD2 PHE 76 HD2 PHE 76 6.960 -5.607 -3.666 602 HE1 PHE 76 HE1 PHE 76 9.665 -4.809 0.417 603 HE2 PHE 76 HE2 PHE 76 8.579 -7.319 -2.894 604 HZ PHE 76 HZ PHE 76 9.933 -6.917 -0.852 605 H VAL 77 HN VAL 77 4.640 -2.730 -0.303 606 HA VAL 77 HA VAL 77 4.901 -5.006 1.381 607 HB VAL 77 HB VAL 77 3.116 -2.612 1.909 608 1HG1 VAL 77 HG11 VAL 77 4.787 -4.248 3.824 609 2HG1 VAL 77 HG12 VAL 77 3.110 -4.645 3.455 610 3HG1 VAL 77 HG13 VAL 77 3.502 -3.103 4.214 611 1HG2 VAL 77 HG21 VAL 77 5.478 -2.017 1.127 612 2HG2 VAL 77 HG22 VAL 77 6.061 -2.846 2.570 613 3HG2 VAL 77 HG23 VAL 77 5.028 -1.426 2.723 614 H SER 78 HN SER 78 2.183 -3.716 -0.413 615 HA SER 78 HA SER 78 0.046 -5.159 0.766 616 1HB SER 78 HB2 SER 78 -1.186 -4.598 -1.164 617 2HB SER 78 HB1 SER 78 0.025 -3.324 -1.090 618 HG SER 78 HG SER 78 0.716 -4.009 -2.932 619 H MET 79 HN MET 79 2.372 -6.026 -1.738 620 HA MET 79 HA MET 79 1.145 -8.565 -2.338 621 1HB MET 79 HB2 MET 79 2.743 -7.300 -3.866 622 2HB MET 79 HB1 MET 79 4.041 -7.829 -2.795 623 1HG MET 79 HG2 MET 79 2.912 -10.226 -3.184 624 2HG MET 79 HG1 MET 79 2.354 -9.454 -4.669 625 1HE MET 79 HE1 MET 79 3.803 -8.989 -6.718 626 2HE MET 79 HE2 MET 79 5.463 -8.429 -6.536 627 3HE MET 79 HE3 MET 79 4.166 -7.606 -5.679 628 H VAL 80 HN VAL 80 3.400 -7.383 -0.008 629 HA VAL 80 HA VAL 80 4.278 -10.044 0.818 630 HB VAL 80 HB VAL 80 4.513 -7.410 2.318 631 1HG1 VAL 80 HG11 VAL 80 6.032 -10.028 2.519 632 2HG1 VAL 80 HG12 VAL 80 4.871 -9.408 3.693 633 3HG1 VAL 80 HG13 VAL 80 6.400 -8.568 3.437 634 1HG2 VAL 80 HG21 VAL 80 6.836 -7.360 1.394 635 2HG2 VAL 80 HG22 VAL 80 5.595 -7.157 0.160 636 3HG2 VAL 80 HG23 VAL 80 6.409 -8.709 0.342 637 H THR 81 HN THR 81 2.048 -7.477 1.792 638 HA THR 81 HA THR 81 1.118 -8.788 4.163 639 HB THR 81 HB THR 81 -0.329 -6.832 2.349 640 HG1 THR 81 HG1 THR 81 0.561 -5.666 4.501 641 1HG2 THR 81 HG21 THR 81 -0.829 -7.873 5.130 642 2HG2 THR 81 HG22 THR 81 -1.967 -7.668 3.799 643 3HG2 THR 81 HG23 THR 81 -1.369 -6.258 4.672 644 H THR 82 HN THR 82 0.141 -8.920 0.707 645 HA THR 82 HA THR 82 -2.256 -10.411 1.208 646 HB THR 82 HB THR 82 -2.008 -11.056 -1.213 647 HG1 THR 82 HG1 THR 82 -0.296 -10.138 -2.307 648 1HG2 THR 82 HG21 THR 82 -2.112 -8.295 -0.073 649 2HG2 THR 82 HG22 THR 82 -3.270 -9.142 -1.097 650 3HG2 THR 82 HG23 THR 82 -1.832 -8.411 -1.811 651 H ALA 83 HN ALA 83 1.119 -11.528 0.601 652 HA ALA 83 HA ALA 83 0.380 -14.295 0.382 653 1HB ALA 83 HB1 ALA 83 2.558 -13.484 -0.406 654 2HB ALA 83 HB2 ALA 83 2.793 -14.712 0.838 655 3HB ALA 83 HB3 ALA 83 2.994 -13.005 1.234 656 H CYS 84 HN CYS 84 1.497 -12.275 3.109 657 HA CYS 84 HA CYS 84 1.491 -14.374 5.059 658 1HB CYS 84 HB2 CYS 84 2.536 -12.256 5.596 659 2HB CYS 84 HB1 CYS 84 1.022 -11.390 5.338 660 HG CYS 84 HG CYS 84 0.725 -11.756 7.783 661 H HIS 85 HN HIS 85 -1.030 -12.973 3.314 662 HA HIS 85 HA HIS 85 -3.091 -13.714 5.355 663 1HB HIS 85 HB2 HIS 85 -3.620 -11.547 4.694 664 2HB HIS 85 HB1 HIS 85 -2.964 -11.764 3.078 665 HD1 HIS 85 HD1 HIS 85 -4.669 -12.011 1.297 666 HD2 HIS 85 HD2 HIS 85 -6.168 -13.204 5.000 667 HE1 HIS 85 HE1 HIS 85 -7.089 -12.638 0.919 668 H GLU 86 HN GLU 86 -1.999 -14.316 2.038 669 HA GLU 86 HA GLU 86 -4.216 -16.086 1.419 670 1HB GLU 86 HB2 GLU 86 -2.955 -14.902 -0.353 671 2HB GLU 86 HB1 GLU 86 -1.504 -15.799 0.087 672 1HG GLU 86 HG2 GLU 86 -2.611 -16.818 -1.868 673 2HG GLU 86 HG1 GLU 86 -2.632 -17.919 -0.492 674 H PHE 87 HN PHE 87 -0.817 -16.557 2.338 675 HA PHE 87 HA PHE 87 -0.953 -19.432 2.341 676 1HB PHE 87 HB2 PHE 87 0.903 -17.425 3.629 677 2HB PHE 87 HB1 PHE 87 1.094 -19.157 3.900 678 HD1 PHE 87 HD1 PHE 87 2.387 -20.403 2.390 679 HD2 PHE 87 HD2 PHE 87 0.646 -16.692 1.102 680 HE1 PHE 87 HE1 PHE 87 3.559 -20.606 0.213 681 HE2 PHE 87 HE2 PHE 87 1.818 -16.897 -1.072 682 HZ PHE 87 HZ PHE 87 3.273 -18.853 -1.516 683 H PHE 88 HN PHE 88 -1.833 -16.953 4.657 684 HA PHE 88 HA PHE 88 -1.944 -18.677 6.960 685 1HB PHE 88 HB2 PHE 88 -3.037 -15.970 6.255 686 2HB PHE 88 HB1 PHE 88 -3.706 -16.788 7.664 687 HD1 PHE 88 HD1 PHE 88 -2.833 -15.501 9.451 688 HD2 PHE 88 HD2 PHE 88 -0.190 -16.972 6.399 689 HE1 PHE 88 HE1 PHE 88 -0.877 -14.792 10.799 690 HE2 PHE 88 HE2 PHE 88 1.762 -16.262 7.746 691 HZ PHE 88 HZ PHE 88 1.421 -15.173 9.947 692 H GLU 89 HN GLU 89 -4.409 -17.649 4.605 693 HA GLU 89 HA GLU 89 -6.519 -19.170 5.841 694 1HB GLU 89 HB2 GLU 89 -6.150 -18.147 3.009 695 2HB GLU 89 HB1 GLU 89 -7.622 -18.940 3.570 696 1HG GLU 89 HG2 GLU 89 -7.710 -17.193 5.424 697 2HG GLU 89 HG1 GLU 89 -6.434 -16.336 4.557 698 H HIS 90 HN HIS 90 -6.061 -19.993 2.551 699 HA HIS 90 HA HIS 90 -5.984 -22.823 3.187 700 1HB HIS 90 HB2 HIS 90 -5.581 -21.350 0.562 701 2HB HIS 90 HB1 HIS 90 -5.722 -23.102 0.715 702 HD1 HIS 90 HD1 HIS 90 -8.054 -24.083 1.213 703 HD2 HIS 90 HD2 HIS 90 -8.021 -19.914 1.060 704 HE1 HIS 90 HE1 HIS 90 -10.479 -23.346 1.179 705 HE2 HIS 90 HE2 HIS 90 -10.470 -20.811 1.081 706 H GLU 91 HN GLU 91 -4.075 -23.351 4.289 707 HA GLU 91 HA GLU 91 -1.502 -22.283 3.617 708 1HB GLU 91 HB2 GLU 91 -2.393 -24.744 5.130 709 2HB GLU 91 HB1 GLU 91 -0.688 -24.338 4.922 710 1HG GLU 91 HG2 GLU 91 -0.894 -22.325 6.149 711 2HG GLU 91 HG1 GLU 91 -2.652 -22.313 6.005 712 1H MET 0 HT1 MET 0 10.592 -4.552 16.905 713 2H MET 0 HT2 MET 0 12.059 -3.721 17.116 714 3H MET 0 HT3 MET 0 11.650 -4.354 15.594 715 HA MET 0 HA MET 0 9.715 -2.511 16.711 716 1HB MET 0 HB2 MET 0 11.987 -1.568 17.359 717 2HB MET 0 HB1 MET 0 12.349 -1.470 15.636 718 1HG MET 0 HG2 MET 0 10.276 -0.087 15.340 719 2HG MET 0 HG1 MET 0 10.083 -0.082 17.093 720 1HE MET 0 HE1 MET 0 13.169 2.026 14.493 721 2HE MET 0 HE2 MET 0 11.438 1.938 14.179 722 3HE MET 0 HE3 MET 0 12.400 0.463 14.185 723 H SER 1 HN SER 1 8.932 -4.136 14.908 724 HA SER 1 HA SER 1 9.692 -3.232 12.180 725 1HB SER 1 HB2 SER 1 9.503 -5.621 12.432 726 2HB SER 1 HB1 SER 1 7.906 -5.473 13.162 727 HG SER 1 HG SER 1 8.713 -4.961 10.500 728 H GLU 2 HN GLU 2 8.742 -1.111 12.540 729 HA GLU 2 HA GLU 2 6.018 -0.571 13.119 730 1HB GLU 2 HB2 GLU 2 7.991 0.852 11.321 731 2HB GLU 2 HB1 GLU 2 6.339 1.443 11.522 732 1HG GLU 2 HG2 GLU 2 6.650 1.657 13.918 733 2HG GLU 2 HG1 GLU 2 8.240 0.900 13.819 734 H LEU 3 HN LEU 3 7.544 -1.794 10.231 735 HA LEU 3 HA LEU 3 5.297 -1.442 8.479 736 1HB LEU 3 HB2 LEU 3 7.999 -2.220 8.288 737 2HB LEU 3 HB1 LEU 3 7.110 -3.640 7.767 738 HG LEU 3 HG LEU 3 7.678 -2.164 5.895 739 1HD1 LEU 3 HD11 LEU 3 5.530 -3.550 6.031 740 2HD1 LEU 3 HD12 LEU 3 5.588 -2.278 4.816 741 3HD1 LEU 3 HD13 LEU 3 4.700 -2.021 6.314 742 1HD2 LEU 3 HD21 LEU 3 7.209 0.077 5.780 743 2HD2 LEU 3 HD22 LEU 3 7.225 -0.043 7.535 744 3HD2 LEU 3 HD23 LEU 3 5.693 -0.073 6.665 745 H GLU 4 HN GLU 4 6.120 -3.915 10.834 746 HA GLU 4 HA GLU 4 4.512 -6.018 9.708 747 1HB GLU 4 HB2 GLU 4 6.155 -6.468 11.486 748 2HB GLU 4 HB1 GLU 4 5.213 -5.492 12.611 749 1HG GLU 4 HG2 GLU 4 3.344 -7.019 12.477 750 2HG GLU 4 HG1 GLU 4 4.114 -7.920 11.170 751 H LYS 5 HN LYS 5 3.825 -3.589 12.225 752 HA LYS 5 HA LYS 5 1.136 -4.233 12.743 753 1HB LYS 5 HB2 LYS 5 2.335 -1.443 12.548 754 2HB LYS 5 HB1 LYS 5 0.852 -1.874 13.390 755 1HG LYS 5 HG2 LYS 5 2.515 -1.748 15.080 756 2HG LYS 5 HG1 LYS 5 2.247 -3.466 14.807 757 1HD LYS 5 HD2 LYS 5 4.354 -3.796 13.931 758 2HD LYS 5 HD1 LYS 5 4.392 -2.231 13.129 759 1HE LYS 5 HE2 LYS 5 6.045 -2.410 14.978 760 2HE LYS 5 HE1 LYS 5 4.877 -1.114 15.229 761 1HZ LYS 5 HZ1 LYS 5 3.604 -2.586 16.658 762 2HZ LYS 5 HZ2 LYS 5 5.193 -2.416 17.237 763 3HZ LYS 5 HZ3 LYS 5 4.730 -3.831 16.419 764 H ALA 6 HN ALA 6 2.539 -2.131 10.267 765 HA ALA 6 HA ALA 6 0.164 -1.205 9.103 766 1HB ALA 6 HB1 ALA 6 2.625 -0.568 8.598 767 2HB ALA 6 HB2 ALA 6 1.458 -0.495 7.279 768 3HB ALA 6 HB3 ALA 6 2.555 -1.870 7.412 769 H MET 7 HN MET 7 2.034 -4.028 7.938 770 HA MET 7 HA MET 7 -0.026 -4.732 6.064 771 1HB MET 7 HB2 MET 7 1.136 -6.965 5.971 772 2HB MET 7 HB1 MET 7 2.211 -5.595 5.705 773 1HG MET 7 HG2 MET 7 2.954 -5.697 8.027 774 2HG MET 7 HG1 MET 7 1.830 -7.012 8.355 775 1HE MET 7 HE1 MET 7 5.643 -6.926 5.906 776 2HE MET 7 HE2 MET 7 4.501 -5.630 6.249 777 3HE MET 7 HE3 MET 7 4.195 -6.733 4.908 778 H VAL 8 HN VAL 8 0.435 -5.409 9.462 779 HA VAL 8 HA VAL 8 -1.559 -7.541 9.544 780 HB VAL 8 HB VAL 8 -0.080 -5.896 11.602 781 1HG1 VAL 8 HG11 VAL 8 -2.216 -6.044 12.647 782 2HG1 VAL 8 HG12 VAL 8 -1.271 -7.368 13.330 783 3HG1 VAL 8 HG13 VAL 8 -2.466 -7.696 12.075 784 1HG2 VAL 8 HG21 VAL 8 -0.327 -8.893 11.224 785 2HG2 VAL 8 HG22 VAL 8 0.843 -8.039 12.229 786 3HG2 VAL 8 HG23 VAL 8 0.932 -7.914 10.472 787 H ALA 9 HN ALA 9 -1.513 -4.184 10.689 788 HA ALA 9 HA ALA 9 -4.189 -3.930 11.476 789 1HB ALA 9 HB1 ALA 9 -3.952 -1.561 11.196 790 2HB ALA 9 HB2 ALA 9 -2.696 -1.767 9.975 791 3HB ALA 9 HB3 ALA 9 -2.365 -2.173 11.658 792 H LEU 10 HN LEU 10 -2.874 -3.913 8.184 793 HA LEU 10 HA LEU 10 -5.403 -3.067 6.998 794 1HB LEU 10 HB2 LEU 10 -2.710 -3.898 6.030 795 2HB LEU 10 HB1 LEU 10 -4.037 -4.156 4.900 796 HG LEU 10 HG LEU 10 -3.805 -1.492 6.304 797 1HD1 LEU 10 HD11 LEU 10 -2.366 -0.652 4.519 798 2HD1 LEU 10 HD12 LEU 10 -2.319 -2.251 3.782 799 3HD1 LEU 10 HD13 LEU 10 -1.558 -1.984 5.348 800 1HD2 LEU 10 HD21 LEU 10 -4.897 -0.701 4.263 801 2HD2 LEU 10 HD22 LEU 10 -5.794 -2.082 4.902 802 3HD2 LEU 10 HD23 LEU 10 -4.717 -2.293 3.520 803 H ILE 11 HN ILE 11 -3.767 -6.222 7.374 804 HA ILE 11 HA ILE 11 -5.448 -7.861 5.886 805 HB ILE 11 HB ILE 11 -4.116 -8.322 8.563 806 1HG1 ILE 11 HG12 ILE 11 -3.607 -9.533 5.835 807 2HG1 ILE 11 HG11 ILE 11 -2.817 -8.067 6.387 808 1HG2 ILE 11 HG21 ILE 11 -4.591 -10.800 8.032 809 2HG2 ILE 11 HG22 ILE 11 -5.835 -10.206 6.931 810 3HG2 ILE 11 HG23 ILE 11 -5.942 -9.853 8.655 811 1HD1 ILE 11 HD11 ILE 11 -2.169 -9.538 8.482 812 2HD1 ILE 11 HD12 ILE 11 -1.255 -9.699 6.986 813 3HD1 ILE 11 HD13 ILE 11 -2.496 -10.881 7.389 814 H ASP 12 HN ASP 12 -6.080 -6.362 9.030 815 HA ASP 12 HA ASP 12 -8.556 -7.784 9.490 816 1HB ASP 12 HB2 ASP 12 -7.124 -6.546 11.231 817 2HB ASP 12 HB1 ASP 12 -7.868 -5.067 10.620 818 H VAL 13 HN VAL 13 -7.859 -4.470 8.365 819 HA VAL 13 HA VAL 13 -10.655 -3.979 7.713 820 HB VAL 13 HB VAL 13 -8.240 -2.407 6.771 821 1HG1 VAL 13 HG11 VAL 13 -9.776 -0.560 6.663 822 2HG1 VAL 13 HG12 VAL 13 -11.047 -1.496 7.450 823 3HG1 VAL 13 HG13 VAL 13 -10.532 -1.911 5.815 824 1HG2 VAL 13 HG21 VAL 13 -9.641 -2.491 9.450 825 2HG2 VAL 13 HG22 VAL 13 -8.820 -1.031 8.906 826 3HG2 VAL 13 HG23 VAL 13 -7.911 -2.527 9.112 827 H PHE 14 HN PHE 14 -7.888 -5.260 6.072 828 HA PHE 14 HA PHE 14 -8.935 -4.865 3.369 829 1HB PHE 14 HB2 PHE 14 -6.583 -5.142 3.481 830 2HB PHE 14 HB1 PHE 14 -6.719 -6.571 4.494 831 HD1 PHE 14 HD1 PHE 14 -6.014 -8.495 3.357 832 HD2 PHE 14 HD2 PHE 14 -8.280 -5.526 1.234 833 HE1 PHE 14 HE1 PHE 14 -6.003 -9.927 1.332 834 HE2 PHE 14 HE2 PHE 14 -8.267 -6.957 -0.785 835 HZ PHE 14 HZ PHE 14 -7.127 -9.156 -0.738 836 H HIS 15 HN HIS 15 -8.802 -7.694 5.559 837 HA HIS 15 HA HIS 15 -10.320 -9.352 3.724 838 1HB HIS 15 HB2 HIS 15 -8.708 -9.859 5.881 839 2HB HIS 15 HB1 HIS 15 -10.285 -10.082 6.620 840 HD1 HIS 15 HD1 HIS 15 -10.462 -12.587 6.729 841 HD2 HIS 15 HD2 HIS 15 -9.272 -11.292 2.950 842 HE1 HIS 15 HE1 HIS 15 -10.382 -14.645 5.254 843 H GLN 16 HN GLN 16 -11.139 -7.211 6.398 844 HA GLN 16 HA GLN 16 -13.821 -8.172 6.802 845 1HB GLN 16 HB2 GLN 16 -12.410 -5.574 7.416 846 2HB GLN 16 HB1 GLN 16 -14.132 -5.767 7.742 847 1HG GLN 16 HG2 GLN 16 -12.101 -7.772 8.734 848 2HG GLN 16 HG1 GLN 16 -12.511 -6.330 9.663 849 1HE2 GLN 16 HE21 GLN 16 -13.277 -8.307 11.147 850 2HE2 GLN 16 HE22 GLN 16 -14.903 -8.756 10.958 851 H TYR 17 HN TYR 17 -12.469 -5.656 4.699 852 HA TYR 17 HA TYR 17 -15.170 -5.059 3.615 853 1HB TYR 17 HB2 TYR 17 -12.431 -3.841 3.320 854 2HB TYR 17 HB1 TYR 17 -13.637 -3.530 2.071 855 HD1 TYR 17 HD1 TYR 17 -15.675 -2.288 2.559 856 HD2 TYR 17 HD2 TYR 17 -12.745 -3.022 5.612 857 HE1 TYR 17 HE1 TYR 17 -16.767 -0.604 4.011 858 HE2 TYR 17 HE2 TYR 17 -13.836 -1.333 7.065 859 HH TYR 17 HH TYR 17 -15.368 0.315 7.135 860 H SER 18 HN SER 18 -12.004 -6.048 2.261 861 HA SER 18 HA SER 18 -12.969 -6.792 -0.278 862 1HB SER 18 HB2 SER 18 -10.841 -8.376 1.161 863 2HB SER 18 HB1 SER 18 -10.949 -7.986 -0.551 864 HG SER 18 HG SER 18 -9.867 -6.568 1.493 865 H GLY 19 HN GLY 19 -13.461 -8.220 2.811 866 1HA GLY 19 HA2 GLY 19 -14.458 -10.771 1.632 867 2HA GLY 19 HA1 GLY 19 -14.151 -10.487 3.343 868 H ARG 20 HN ARG 20 -15.675 -7.729 2.369 869 HA ARG 20 HA ARG 20 -18.126 -8.346 3.702 870 1HB ARG 20 HB2 ARG 20 -17.266 -6.033 3.358 871 2HB ARG 20 HB1 ARG 20 -17.577 -6.191 1.632 872 1HG ARG 20 HG2 ARG 20 -20.021 -6.675 2.269 873 2HG ARG 20 HG1 ARG 20 -19.594 -6.131 3.889 874 1HD ARG 20 HD2 ARG 20 -19.150 -4.488 1.383 875 2HD ARG 20 HD1 ARG 20 -20.562 -4.330 2.425 876 HE ARG 20 HE ARG 20 -17.894 -3.323 3.006 877 1HH1 ARG 20 HH21 ARG 20 -20.860 -4.542 4.266 878 2HH1 ARG 20 HH22 ARG 20 -20.705 -3.725 5.787 879 1HH2 ARG 20 HH11 ARG 20 -17.676 -2.245 4.982 880 2HH2 ARG 20 HH12 ARG 20 -18.903 -2.425 6.192 881 H GLU 21 HN GLU 21 -17.242 -8.245 0.271 882 HA GLU 21 HA GLU 21 -19.244 -10.266 -0.359 883 1HB GLU 21 HB2 GLU 21 -20.326 -8.643 -2.110 884 2HB GLU 21 HB1 GLU 21 -20.851 -8.562 -0.429 885 1HG GLU 21 HG2 GLU 21 -19.453 -6.656 0.004 886 2HG GLU 21 HG1 GLU 21 -18.647 -6.821 -1.554 887 H GLY 22 HN GLY 22 -19.271 -10.615 -2.841 888 1HA GLY 22 HA2 GLY 22 -18.111 -10.500 -4.964 889 2HA GLY 22 HA1 GLY 22 -16.731 -9.765 -4.147 890 H ASP 23 HN ASP 23 -15.583 -11.546 -5.417 891 HA ASP 23 HA ASP 23 -15.853 -14.291 -5.007 892 1HB ASP 23 HB2 ASP 23 -13.347 -12.604 -5.224 893 2HB ASP 23 HB1 ASP 23 -13.308 -14.367 -5.192 894 H LYS 24 HN LYS 24 -13.516 -12.341 -3.118 895 HA LYS 24 HA LYS 24 -14.515 -13.139 -0.581 896 1HB LYS 24 HB2 LYS 24 -13.222 -15.273 -1.853 897 2HB LYS 24 HB1 LYS 24 -11.965 -14.629 -0.809 898 1HG LYS 24 HG2 LYS 24 -14.763 -15.290 0.170 899 2HG LYS 24 HG1 LYS 24 -13.424 -16.429 0.230 900 1HD LYS 24 HD2 LYS 24 -12.330 -15.293 1.925 901 2HD LYS 24 HD1 LYS 24 -12.911 -13.716 1.402 902 1HE LYS 24 HE2 LYS 24 -15.041 -14.049 2.409 903 2HE LYS 24 HE1 LYS 24 -14.763 -15.779 2.607 904 1HZ LYS 24 HZ1 LYS 24 -14.322 -13.896 4.498 905 2HZ LYS 24 HZ2 LYS 24 -12.764 -14.148 3.869 906 3HZ LYS 24 HZ3 LYS 24 -13.653 -15.454 4.494 907 H HIS 25 HN HIS 25 -11.568 -12.302 -2.428 908 HA HIS 25 HA HIS 25 -10.943 -10.309 -0.279 909 1HB HIS 25 HB2 HIS 25 -8.781 -11.842 -1.725 910 2HB HIS 25 HB1 HIS 25 -8.643 -10.866 -0.265 911 HD2 HIS 25 HD2 HIS 25 -10.932 -12.271 1.618 912 HE1 HIS 25 HE1 HIS 25 -8.971 -15.902 0.742 913 HE2 HIS 25 HE2 HIS 25 -10.626 -14.768 2.292 914 H LYS 26 HN LYS 26 -12.235 -9.185 -2.156 915 HA LYS 26 HA LYS 26 -10.200 -7.756 -3.765 916 1HB LYS 26 HB2 LYS 26 -11.322 -9.604 -5.165 917 2HB LYS 26 HB1 LYS 26 -12.805 -8.660 -5.012 918 1HG LYS 26 HG2 LYS 26 -11.476 -6.667 -5.878 919 2HG LYS 26 HG1 LYS 26 -10.199 -7.813 -6.289 920 1HD LYS 26 HD2 LYS 26 -13.056 -7.887 -7.289 921 2HD LYS 26 HD1 LYS 26 -11.636 -7.434 -8.233 922 1HE LYS 26 HE2 LYS 26 -10.732 -9.791 -7.560 923 2HE LYS 26 HE1 LYS 26 -12.420 -10.148 -7.191 924 1HZ LYS 26 HZ1 LYS 26 -12.370 -8.851 -9.647 925 2HZ LYS 26 HZ2 LYS 26 -12.755 -10.477 -9.337 926 3HZ LYS 26 HZ3 LYS 26 -11.155 -10.033 -9.703 927 H LEU 27 HN LEU 27 -10.881 -5.555 -4.171 928 HA LEU 27 HA LEU 27 -13.079 -4.700 -2.353 929 1HB LEU 27 HB2 LEU 27 -10.656 -3.365 -3.496 930 2HB LEU 27 HB1 LEU 27 -12.038 -2.347 -3.126 931 HG LEU 27 HG LEU 27 -11.964 -3.576 -0.775 932 1HD1 LEU 27 HD11 LEU 27 -9.645 -4.157 -0.130 933 2HD1 LEU 27 HD12 LEU 27 -9.138 -3.941 -1.805 934 3HD1 LEU 27 HD13 LEU 27 -10.260 -5.233 -1.384 935 1HD2 LEU 27 HD21 LEU 27 -11.592 -1.201 -1.087 936 2HD2 LEU 27 HD22 LEU 27 -9.958 -1.509 -1.676 937 3HD2 LEU 27 HD23 LEU 27 -10.370 -1.848 0.004 938 H LYS 28 HN LYS 28 -14.905 -4.007 -3.047 939 HA LYS 28 HA LYS 28 -15.312 -3.365 -5.956 940 1HB LYS 28 HB2 LYS 28 -17.593 -3.896 -4.059 941 2HB LYS 28 HB1 LYS 28 -17.502 -4.165 -5.801 942 1HG LYS 28 HG2 LYS 28 -15.621 -5.904 -5.148 943 2HG LYS 28 HG1 LYS 28 -16.396 -5.848 -3.565 944 1HD LYS 28 HD2 LYS 28 -17.656 -6.615 -6.204 945 2HD LYS 28 HD1 LYS 28 -17.408 -7.641 -4.796 946 1HE LYS 28 HE2 LYS 28 -19.645 -7.091 -4.496 947 2HE LYS 28 HE1 LYS 28 -18.897 -5.768 -3.605 948 1HZ LYS 28 HZ1 LYS 28 -19.351 -4.279 -5.244 949 2HZ LYS 28 HZ2 LYS 28 -20.671 -5.327 -5.459 950 3HZ LYS 28 HZ3 LYS 28 -19.319 -5.438 -6.483 951 H LYS 29 HN LYS 29 -16.724 -1.447 -6.361 952 HA LYS 29 HA LYS 29 -15.963 0.850 -5.012 953 1HB LYS 29 HB2 LYS 29 -17.581 0.415 -7.129 954 2HB LYS 29 HB1 LYS 29 -18.820 0.780 -5.933 955 1HG LYS 29 HG2 LYS 29 -17.855 2.948 -5.483 956 2HG LYS 29 HG1 LYS 29 -16.420 2.573 -6.436 957 1HD LYS 29 HD2 LYS 29 -18.036 4.022 -7.665 958 2HD LYS 29 HD1 LYS 29 -17.733 2.489 -8.481 959 1HE LYS 29 HE2 LYS 29 -19.828 1.605 -7.862 960 2HE LYS 29 HE1 LYS 29 -20.045 2.785 -6.566 961 1HZ LYS 29 HZ1 LYS 29 -21.279 3.852 -8.075 962 2HZ LYS 29 HZ2 LYS 29 -20.602 3.014 -9.390 963 3HZ LYS 29 HZ3 LYS 29 -19.797 4.356 -8.728 964 H SER 30 HN SER 30 -18.848 -1.115 -4.281 965 HA SER 30 HA SER 30 -19.924 0.347 -2.153 966 1HB SER 30 HB2 SER 30 -19.669 -2.642 -2.541 967 2HB SER 30 HB1 SER 30 -20.531 -1.950 -1.169 968 HG SER 30 HG SER 30 -21.138 -0.887 -3.653 969 H GLU 31 HN GLU 31 -16.837 -1.086 -2.346 970 HA GLU 31 HA GLU 31 -16.472 -1.085 0.625 971 1HB GLU 31 HB2 GLU 31 -14.524 -1.982 -1.518 972 2HB GLU 31 HB1 GLU 31 -14.410 -2.278 0.218 973 1HG GLU 31 HG2 GLU 31 -16.692 -3.464 -0.017 974 2HG GLU 31 HG1 GLU 31 -16.382 -3.446 -1.752 975 H LEU 32 HN LEU 32 -15.150 0.319 -2.350 976 HA LEU 32 HA LEU 32 -13.209 1.921 -1.038 977 1HB LEU 32 HB2 LEU 32 -13.860 1.442 -3.657 978 2HB LEU 32 HB1 LEU 32 -14.467 3.083 -3.479 979 HG LEU 32 HG LEU 32 -11.654 2.204 -2.741 980 1HD1 LEU 32 HD11 LEU 32 -12.835 3.230 -5.297 981 2HD1 LEU 32 HD12 LEU 32 -11.521 2.087 -5.040 982 3HD1 LEU 32 HD13 LEU 32 -11.234 3.813 -4.837 983 1HD2 LEU 32 HD21 LEU 32 -13.127 4.839 -2.727 984 2HD2 LEU 32 HD22 LEU 32 -11.373 4.793 -2.897 985 3HD2 LEU 32 HD23 LEU 32 -12.137 4.115 -1.463 986 H LYS 33 HN LYS 33 -16.535 2.788 -2.058 987 HA LYS 33 HA LYS 33 -16.449 5.392 -0.855 988 1HB LYS 33 HB2 LYS 33 -18.060 4.368 -2.619 989 2HB LYS 33 HB1 LYS 33 -18.937 3.730 -1.229 990 1HG LYS 33 HG2 LYS 33 -18.916 6.158 -0.334 991 2HG LYS 33 HG1 LYS 33 -18.448 6.619 -1.968 992 1HD LYS 33 HD2 LYS 33 -20.741 6.726 -2.243 993 2HD LYS 33 HD1 LYS 33 -20.509 5.016 -2.610 994 1HE LYS 33 HE2 LYS 33 -22.288 5.075 -1.030 995 2HE LYS 33 HE1 LYS 33 -20.867 4.595 -0.100 996 1HZ LYS 33 HZ1 LYS 33 -22.506 6.853 0.248 997 2HZ LYS 33 HZ2 LYS 33 -20.937 7.377 -0.144 998 3HZ LYS 33 HZ3 LYS 33 -21.185 6.350 1.186 999 H GLU 34 HN GLU 34 -17.410 2.199 0.319 1000 HA GLU 34 HA GLU 34 -18.403 3.288 2.861 1001 1HB GLU 34 HB2 GLU 34 -17.787 0.437 2.044 1002 2HB GLU 34 HB1 GLU 34 -18.505 0.896 3.585 1003 1HG GLU 34 HG2 GLU 34 -20.414 1.905 2.446 1004 2HG GLU 34 HG1 GLU 34 -19.696 1.550 0.875 1005 H LEU 35 HN LEU 35 -15.390 1.964 1.682 1006 HA LEU 35 HA LEU 35 -14.206 1.626 4.289 1007 1HB LEU 35 HB2 LEU 35 -13.393 0.418 2.309 1008 2HB LEU 35 HB1 LEU 35 -12.932 1.943 1.556 1009 HG LEU 35 HG LEU 35 -11.419 2.320 3.622 1010 1HD1 LEU 35 HD11 LEU 35 -12.130 -0.603 3.956 1011 2HD1 LEU 35 HD12 LEU 35 -12.285 0.686 5.150 1012 3HD1 LEU 35 HD13 LEU 35 -10.691 0.127 4.658 1013 1HD2 LEU 35 HD21 LEU 35 -9.621 1.049 2.650 1014 2HD2 LEU 35 HD22 LEU 35 -10.643 1.616 1.331 1015 3HD2 LEU 35 HD23 LEU 35 -10.753 -0.060 1.876 1016 H ILE 36 HN ILE 36 -14.355 4.342 1.998 1017 HA ILE 36 HA ILE 36 -12.406 5.912 3.524 1018 HB ILE 36 HB ILE 36 -13.141 7.808 2.074 1019 1HG1 ILE 36 HG12 ILE 36 -15.122 5.722 1.151 1020 2HG1 ILE 36 HG11 ILE 36 -15.447 7.357 1.704 1021 1HG2 ILE 36 HG21 ILE 36 -12.644 5.309 0.450 1022 2HG2 ILE 36 HG22 ILE 36 -11.391 6.082 1.417 1023 3HG2 ILE 36 HG23 ILE 36 -12.133 6.955 0.074 1024 1HD1 ILE 36 HD11 ILE 36 -15.648 7.569 -0.609 1025 2HD1 ILE 36 HD12 ILE 36 -14.337 6.442 -0.936 1026 3HD1 ILE 36 HD13 ILE 36 -13.980 8.068 -0.349 1027 H ASN 37 HN ASN 37 -15.909 5.602 3.390 1028 HA ASN 37 HA ASN 37 -16.380 7.906 5.124 1029 1HB ASN 37 HB2 ASN 37 -18.090 7.216 3.522 1030 2HB ASN 37 HB1 ASN 37 -18.183 5.623 4.274 1031 1HD2 ASN 37 HD21 ASN 37 -20.207 5.618 5.298 1032 2HD2 ASN 37 HD22 ASN 37 -20.741 6.816 6.375 1033 H ASN 38 HN ASN 38 -15.677 4.542 5.551 1034 HA ASN 38 HA ASN 38 -16.596 4.582 8.383 1035 1HB ASN 38 HB2 ASN 38 -15.558 2.371 6.603 1036 2HB ASN 38 HB1 ASN 38 -15.991 2.142 8.298 1037 1HD2 ASN 38 HD21 ASN 38 -17.433 0.734 6.317 1038 2HD2 ASN 38 HD22 ASN 38 -19.005 1.365 6.214 1039 H GLU 39 HN GLU 39 -13.545 4.043 6.572 1040 HA GLU 39 HA GLU 39 -12.088 4.165 9.192 1041 1HB GLU 39 HB2 GLU 39 -11.185 3.201 6.464 1042 2HB GLU 39 HB1 GLU 39 -10.193 3.205 7.923 1043 1HG GLU 39 HG2 GLU 39 -12.870 1.808 7.789 1044 2HG GLU 39 HG1 GLU 39 -11.357 0.998 7.389 1045 H LEU 40 HN LEU 40 -11.288 5.168 5.841 1046 HA LEU 40 HA LEU 40 -9.649 7.344 6.843 1047 1HB LEU 40 HB2 LEU 40 -10.607 7.322 4.004 1048 2HB LEU 40 HB1 LEU 40 -9.002 7.665 4.643 1049 HG LEU 40 HG LEU 40 -10.320 4.953 4.333 1050 1HD1 LEU 40 HD11 LEU 40 -8.598 4.529 2.745 1051 2HD1 LEU 40 HD12 LEU 40 -7.669 5.937 3.261 1052 3HD1 LEU 40 HD13 LEU 40 -9.178 6.152 2.374 1053 1HD2 LEU 40 HD21 LEU 40 -8.020 5.826 6.051 1054 2HD2 LEU 40 HD22 LEU 40 -7.819 4.319 5.156 1055 3HD2 LEU 40 HD23 LEU 40 -9.155 4.497 6.283 1056 H SER 41 HN SER 41 -12.415 7.459 7.792 1057 HA SER 41 HA SER 41 -13.655 9.667 6.280 1058 1HB SER 41 HB2 SER 41 -15.354 8.374 7.157 1059 2HB SER 41 HB1 SER 41 -14.406 7.884 8.553 1060 HG SER 41 HG SER 41 -16.076 10.044 8.191 1061 H HIS 42 HN HIS 42 -11.520 9.252 8.991 1062 HA HIS 42 HA HIS 42 -12.135 11.874 10.160 1063 1HB HIS 42 HB2 HIS 42 -9.906 9.885 10.694 1064 2HB HIS 42 HB1 HIS 42 -10.164 11.366 11.618 1065 HD1 HIS 42 HD1 HIS 42 -12.717 11.559 12.668 1066 HD2 HIS 42 HD2 HIS 42 -11.359 7.741 11.673 1067 HE1 HIS 42 HE1 HIS 42 -14.214 9.920 13.895 1068 HE2 HIS 42 HE2 HIS 42 -13.396 7.596 13.295 1069 H PHE 43 HN PHE 43 -10.041 10.572 7.736 1070 HA PHE 43 HA PHE 43 -8.560 13.181 7.558 1071 1HB PHE 43 HB2 PHE 43 -7.754 10.471 6.454 1072 2HB PHE 43 HB1 PHE 43 -6.798 11.952 6.399 1073 HD1 PHE 43 HD1 PHE 43 -5.738 12.853 8.411 1074 HD2 PHE 43 HD2 PHE 43 -8.051 9.235 8.540 1075 HE1 PHE 43 HE1 PHE 43 -4.796 12.332 10.645 1076 HE2 PHE 43 HE2 PHE 43 -7.108 8.713 10.774 1077 HZ PHE 43 HZ PHE 43 -5.481 10.260 11.826 1078 H LEU 44 HN LEU 44 -10.067 10.566 5.654 1079 HA LEU 44 HA LEU 44 -10.094 12.310 3.272 1080 1HB LEU 44 HB2 LEU 44 -9.843 9.573 3.599 1081 2HB LEU 44 HB1 LEU 44 -11.529 9.715 3.121 1082 HG LEU 44 HG LEU 44 -10.604 11.285 1.229 1083 1HD1 LEU 44 HD11 LEU 44 -8.303 10.579 0.507 1084 2HD1 LEU 44 HD12 LEU 44 -8.125 9.733 2.044 1085 3HD1 LEU 44 HD13 LEU 44 -8.313 11.486 2.018 1086 1HD2 LEU 44 HD21 LEU 44 -11.620 9.162 0.697 1087 2HD2 LEU 44 HD22 LEU 44 -10.211 8.279 1.289 1088 3HD2 LEU 44 HD23 LEU 44 -10.093 9.245 -0.182 1089 H GLU 45 HN GLU 45 -11.912 13.361 2.543 1090 HA GLU 45 HA GLU 45 -14.157 13.678 4.324 1091 1HB GLU 45 HB2 GLU 45 -13.649 14.531 1.465 1092 2HB GLU 45 HB1 GLU 45 -15.156 14.898 2.303 1093 1HG GLU 45 HG2 GLU 45 -13.772 15.965 4.136 1094 2HG GLU 45 HG1 GLU 45 -12.364 15.767 3.093 1095 H GLU 46 HN GLU 46 -16.221 12.782 4.186 1096 HA GLU 46 HA GLU 46 -16.434 10.227 2.832 1097 1HB GLU 46 HB2 GLU 46 -19.050 11.173 3.649 1098 2HB GLU 46 HB1 GLU 46 -18.072 9.910 4.387 1099 1HG GLU 46 HG2 GLU 46 -17.813 12.878 4.969 1100 2HG GLU 46 HG1 GLU 46 -18.629 11.703 5.997 1101 H ILE 47 HN ILE 47 -16.657 10.158 0.644 1102 HA ILE 47 HA ILE 47 -17.797 12.385 -0.836 1103 HB ILE 47 HB ILE 47 -17.100 11.284 -2.776 1104 1HG1 ILE 47 HG12 ILE 47 -17.545 8.671 -1.282 1105 2HG1 ILE 47 HG11 ILE 47 -18.462 9.275 -2.654 1106 1HG2 ILE 47 HG21 ILE 47 -15.402 9.957 -0.647 1107 2HG2 ILE 47 HG22 ILE 47 -15.228 11.637 -1.152 1108 3HG2 ILE 47 HG23 ILE 47 -14.917 10.335 -2.300 1109 1HD1 ILE 47 HD11 ILE 47 -16.888 7.537 -3.386 1110 2HD1 ILE 47 HD12 ILE 47 -15.537 8.453 -2.740 1111 3HD1 ILE 47 HD13 ILE 47 -16.467 9.088 -4.090 1112 H LYS 48 HN LYS 48 -19.895 12.675 -1.414 1113 HA LYS 48 HA LYS 48 -21.855 10.527 -0.767 1114 1HB LYS 48 HB2 LYS 48 -22.240 13.417 -1.640 1115 2HB LYS 48 HB1 LYS 48 -23.549 12.299 -1.256 1116 1HG LYS 48 HG2 LYS 48 -22.903 12.160 1.030 1117 2HG LYS 48 HG1 LYS 48 -21.334 12.897 0.710 1118 1HD LYS 48 HD2 LYS 48 -22.868 14.521 1.763 1119 2HD LYS 48 HD1 LYS 48 -22.437 15.022 0.129 1120 1HE LYS 48 HE2 LYS 48 -24.932 15.156 0.795 1121 2HE LYS 48 HE1 LYS 48 -24.543 14.394 -0.746 1122 1HZ LYS 48 HZ1 LYS 48 -24.696 12.241 0.287 1123 2HZ LYS 48 HZ2 LYS 48 -26.132 13.102 0.577 1124 3HZ LYS 48 HZ3 LYS 48 -24.972 12.939 1.807 1125 H GLU 49 HN GLU 49 -19.974 11.650 -3.263 1126 HA GLU 49 HA GLU 49 -21.753 10.447 -5.363 1127 1HB GLU 49 HB2 GLU 49 -19.666 12.592 -5.840 1128 2HB GLU 49 HB1 GLU 49 -20.902 12.021 -6.960 1129 1HG GLU 49 HG2 GLU 49 -22.667 12.946 -5.540 1130 2HG GLU 49 HG1 GLU 49 -21.472 13.448 -4.344 1131 H GLN 50 HN GLN 50 -20.822 8.787 -6.482 1132 HA GLN 50 HA GLN 50 -18.206 7.831 -5.661 1133 1HB GLN 50 HB2 GLN 50 -18.748 6.288 -7.821 1134 2HB GLN 50 HB1 GLN 50 -19.507 6.010 -6.256 1135 1HG GLN 50 HG2 GLN 50 -21.098 6.091 -8.239 1136 2HG GLN 50 HG1 GLN 50 -21.496 7.172 -6.905 1137 1HE2 GLN 50 HE21 GLN 50 -19.760 7.170 -10.066 1138 2HE2 GLN 50 HE22 GLN 50 -20.103 8.794 -10.424 1139 H GLU 51 HN GLU 51 -19.298 10.084 -7.964 1140 HA GLU 51 HA GLU 51 -17.808 9.911 -10.199 1141 1HB GLU 51 HB2 GLU 51 -19.274 11.831 -9.597 1142 2HB GLU 51 HB1 GLU 51 -17.982 12.441 -8.563 1143 1HG GLU 51 HG2 GLU 51 -16.498 12.701 -10.454 1144 2HG GLU 51 HG1 GLU 51 -17.642 11.887 -11.521 1145 H VAL 52 HN VAL 52 -16.404 11.162 -7.142 1146 HA VAL 52 HA VAL 52 -13.815 11.416 -8.408 1147 HB VAL 52 HB VAL 52 -12.942 11.778 -6.138 1148 1HG1 VAL 52 HG11 VAL 52 -15.654 13.106 -6.323 1149 2HG1 VAL 52 HG12 VAL 52 -14.298 13.569 -7.351 1150 3HG1 VAL 52 HG13 VAL 52 -14.181 13.752 -5.601 1151 1HG2 VAL 52 HG21 VAL 52 -14.530 11.623 -4.207 1152 2HG2 VAL 52 HG22 VAL 52 -14.197 10.055 -4.941 1153 3HG2 VAL 52 HG23 VAL 52 -15.712 10.892 -5.290 1154 H VAL 53 HN VAL 53 -15.498 8.964 -6.574 1155 HA VAL 53 HA VAL 53 -13.223 7.229 -6.319 1156 HB VAL 53 HB VAL 53 -15.966 7.232 -5.515 1157 1HG1 VAL 53 HG11 VAL 53 -15.234 4.663 -6.951 1158 2HG1 VAL 53 HG12 VAL 53 -16.473 5.806 -7.471 1159 3HG1 VAL 53 HG13 VAL 53 -16.671 4.919 -5.961 1160 1HG2 VAL 53 HG21 VAL 53 -14.209 6.715 -3.981 1161 2HG2 VAL 53 HG22 VAL 53 -13.666 5.358 -4.963 1162 3HG2 VAL 53 HG23 VAL 53 -15.207 5.266 -4.111 1163 H ASP 54 HN ASP 54 -15.376 8.060 -8.876 1164 HA ASP 54 HA ASP 54 -14.749 5.690 -10.501 1165 1HB ASP 54 HB2 ASP 54 -16.074 8.343 -11.156 1166 2HB ASP 54 HB1 ASP 54 -15.837 7.057 -12.338 1167 H LYS 55 HN LYS 55 -13.670 9.017 -10.116 1168 HA LYS 55 HA LYS 55 -11.796 8.882 -12.357 1169 1HB LYS 55 HB2 LYS 55 -12.700 11.042 -11.681 1170 2HB LYS 55 HB1 LYS 55 -12.047 10.847 -10.057 1171 1HG LYS 55 HG2 LYS 55 -10.057 10.597 -12.272 1172 2HG LYS 55 HG1 LYS 55 -10.749 12.201 -12.063 1173 1HD LYS 55 HD2 LYS 55 -9.736 10.718 -9.642 1174 2HD LYS 55 HD1 LYS 55 -8.586 11.517 -10.709 1175 1HE LYS 55 HE2 LYS 55 -11.006 12.940 -9.584 1176 2HE LYS 55 HE1 LYS 55 -9.450 12.914 -8.753 1177 1HZ LYS 55 HZ1 LYS 55 -9.834 14.863 -10.249 1178 2HZ LYS 55 HZ2 LYS 55 -9.770 13.791 -11.566 1179 3HZ LYS 55 HZ3 LYS 55 -8.414 13.991 -10.563 1180 H VAL 56 HN VAL 56 -11.487 8.773 -8.778 1181 HA VAL 56 HA VAL 56 -8.690 8.453 -8.678 1182 HB VAL 56 HB VAL 56 -10.539 8.594 -6.750 1183 1HG1 VAL 56 HG11 VAL 56 -10.999 6.523 -5.643 1184 2HG1 VAL 56 HG12 VAL 56 -9.895 5.638 -6.696 1185 3HG1 VAL 56 HG13 VAL 56 -11.406 6.274 -7.338 1186 1HG2 VAL 56 HG21 VAL 56 -8.097 8.796 -6.427 1187 2HG2 VAL 56 HG22 VAL 56 -7.956 7.038 -6.427 1188 3HG2 VAL 56 HG23 VAL 56 -8.838 7.851 -5.136 1189 H MET 57 HN MET 57 -11.255 6.034 -9.161 1190 HA MET 57 HA MET 57 -9.688 3.696 -9.237 1191 1HB MET 57 HB2 MET 57 -12.323 4.445 -10.030 1192 2HB MET 57 HB1 MET 57 -11.616 3.679 -11.442 1193 1HG MET 57 HG2 MET 57 -12.600 1.898 -10.246 1194 2HG MET 57 HG1 MET 57 -10.893 1.795 -9.821 1195 1HE MET 57 HE1 MET 57 -13.245 0.799 -6.776 1196 2HE MET 57 HE2 MET 57 -12.570 0.239 -8.312 1197 3HE MET 57 HE3 MET 57 -14.092 1.135 -8.293 1198 H GLU 58 HN GLU 58 -10.143 6.203 -11.675 1199 HA GLU 58 HA GLU 58 -8.704 4.935 -13.796 1200 1HB GLU 58 HB2 GLU 58 -10.177 7.078 -13.845 1201 2HB GLU 58 HB1 GLU 58 -8.722 7.923 -13.320 1202 1HG GLU 58 HG2 GLU 58 -7.502 7.142 -15.279 1203 2HG GLU 58 HG1 GLU 58 -8.877 6.156 -15.782 1204 H THR 59 HN THR 59 -7.714 6.690 -10.946 1205 HA THR 59 HA THR 59 -4.910 6.864 -11.836 1206 HB THR 59 HB THR 59 -6.082 7.491 -9.115 1207 HG1 THR 59 HG1 THR 59 -5.747 9.061 -11.447 1208 1HG2 THR 59 HG21 THR 59 -3.633 7.203 -9.205 1209 2HG2 THR 59 HG22 THR 59 -4.066 8.886 -8.908 1210 3HG2 THR 59 HG23 THR 59 -3.548 8.379 -10.516 1211 H LEU 60 HN LEU 60 -6.941 4.833 -9.806 1212 HA LEU 60 HA LEU 60 -4.531 3.362 -8.828 1213 1HB LEU 60 HB2 LEU 60 -7.406 3.510 -7.968 1214 2HB LEU 60 HB1 LEU 60 -6.467 2.082 -7.543 1215 HG LEU 60 HG LEU 60 -6.421 3.852 -5.782 1216 1HD1 LEU 60 HD11 LEU 60 -4.259 3.356 -5.190 1217 2HD1 LEU 60 HD12 LEU 60 -3.592 3.787 -6.762 1218 3HD1 LEU 60 HD13 LEU 60 -4.385 2.228 -6.535 1219 1HD2 LEU 60 HD21 LEU 60 -4.676 5.467 -7.638 1220 2HD2 LEU 60 HD22 LEU 60 -5.474 5.975 -6.151 1221 3HD2 LEU 60 HD23 LEU 60 -6.423 5.708 -7.610 1222 H ASP 61 HN ASP 61 -7.662 2.614 -10.502 1223 HA ASP 61 HA ASP 61 -7.133 -0.119 -10.943 1224 1HB ASP 61 HB2 ASP 61 -9.259 1.217 -11.387 1225 2HB ASP 61 HB1 ASP 61 -8.510 1.711 -12.905 1226 H GLU 62 HN GLU 62 -5.195 -0.738 -11.651 1227 HA GLU 62 HA GLU 62 -3.892 0.676 -13.897 1228 1HB GLU 62 HB2 GLU 62 -2.609 -0.163 -11.854 1229 2HB GLU 62 HB1 GLU 62 -2.901 -1.795 -12.455 1230 1HG GLU 62 HG2 GLU 62 -1.608 0.348 -14.158 1231 2HG GLU 62 HG1 GLU 62 -0.674 -0.740 -13.133 1232 H ASP 63 HN ASP 63 -5.296 -2.466 -13.120 1233 HA ASP 63 HA ASP 63 -4.821 -3.477 -15.827 1234 1HB ASP 63 HB2 ASP 63 -6.434 -5.321 -14.958 1235 2HB ASP 63 HB1 ASP 63 -4.854 -5.183 -14.188 1236 H GLY 64 HN GLY 64 -6.954 -1.270 -14.465 1237 1HA GLY 64 HA2 GLY 64 -8.893 -0.277 -15.380 1238 2HA GLY 64 HA1 GLY 64 -8.558 -1.168 -16.863 1239 H ASP 65 HN ASP 65 -9.224 -2.358 -13.554 1240 HA ASP 65 HA ASP 65 -11.287 -4.174 -14.744 1241 1HB ASP 65 HB2 ASP 65 -11.118 -5.309 -12.488 1242 2HB ASP 65 HB1 ASP 65 -9.633 -5.334 -13.441 1243 H GLY 66 HN GLY 66 -11.125 -1.221 -13.167 1244 1HA GLY 66 HA2 GLY 66 -12.875 0.104 -12.290 1245 2HA GLY 66 HA1 GLY 66 -13.998 -1.200 -12.693 1246 H GLU 67 HN GLU 67 -11.610 -2.689 -11.120 1247 HA GLU 67 HA GLU 67 -12.871 -2.366 -8.413 1248 1HB GLU 67 HB2 GLU 67 -11.534 -4.823 -9.598 1249 2HB GLU 67 HB1 GLU 67 -12.318 -4.719 -8.022 1250 1HG GLU 67 HG2 GLU 67 -14.453 -4.097 -9.226 1251 2HG GLU 67 HG1 GLU 67 -13.632 -4.477 -10.741 1252 H CYS 68 HN CYS 68 -11.222 -3.024 -6.656 1253 HA CYS 68 HA CYS 68 -8.475 -2.071 -7.425 1254 1HB CYS 68 HB2 CYS 68 -10.085 -1.526 -4.917 1255 2HB CYS 68 HB1 CYS 68 -8.366 -1.163 -5.080 1256 HG CYS 68 HG CYS 68 -10.534 0.605 -6.085 1257 H ASP 69 HN ASP 69 -7.742 -4.271 -7.657 1258 HA ASP 69 HA ASP 69 -8.119 -6.360 -5.822 1259 1HB ASP 69 HB2 ASP 69 -5.434 -5.881 -7.116 1260 2HB ASP 69 HB1 ASP 69 -6.262 -7.412 -6.821 1261 H PHE 70 HN PHE 70 -5.869 -7.144 -4.513 1262 HA PHE 70 HA PHE 70 -5.732 -5.284 -2.309 1263 1HB PHE 70 HB2 PHE 70 -3.858 -6.999 -1.616 1264 2HB PHE 70 HB1 PHE 70 -5.546 -7.496 -1.620 1265 HD1 PHE 70 HD1 PHE 70 -6.249 -9.319 -2.923 1266 HD2 PHE 70 HD2 PHE 70 -2.502 -7.423 -3.802 1267 HE1 PHE 70 HE1 PHE 70 -5.762 -11.064 -4.616 1268 HE2 PHE 70 HE2 PHE 70 -2.014 -9.161 -5.497 1269 HZ PHE 70 HZ PHE 70 -3.644 -10.985 -5.904 1270 H GLN 71 HN GLN 71 -3.698 -5.938 -5.073 1271 HA GLN 71 HA GLN 71 -1.305 -4.791 -4.049 1272 1HB GLN 71 HB2 GLN 71 -1.357 -6.364 -5.945 1273 2HB GLN 71 HB1 GLN 71 -2.155 -5.133 -6.929 1274 1HG GLN 71 HG2 GLN 71 -0.255 -3.671 -6.768 1275 2HG GLN 71 HG1 GLN 71 0.515 -4.717 -5.570 1276 1HE2 GLN 71 HE21 GLN 71 -1.129 -5.644 -8.630 1277 2HE2 GLN 71 HE22 GLN 71 0.234 -6.390 -9.313 1278 H GLU 72 HN GLU 72 -3.828 -3.393 -6.186 1279 HA GLU 72 HA GLU 72 -2.438 -0.795 -6.025 1280 1HB GLU 72 HB2 GLU 72 -4.014 -0.023 -7.637 1281 2HB GLU 72 HB1 GLU 72 -3.537 -1.646 -8.129 1282 1HG GLU 72 HG2 GLU 72 -5.697 -2.258 -6.568 1283 2HG GLU 72 HG1 GLU 72 -6.182 -0.660 -7.136 1284 H PHE 73 HN PHE 73 -5.207 -2.468 -4.642 1285 HA PHE 73 HA PHE 73 -6.596 -0.289 -3.553 1286 1HB PHE 73 HB2 PHE 73 -7.559 -2.449 -3.222 1287 2HB PHE 73 HB1 PHE 73 -6.083 -3.057 -2.492 1288 HD1 PHE 73 HD1 PHE 73 -7.651 0.223 -1.638 1289 HD2 PHE 73 HD2 PHE 73 -6.995 -3.855 -0.444 1290 HE1 PHE 73 HE1 PHE 73 -8.537 0.734 0.607 1291 HE2 PHE 73 HE2 PHE 73 -7.883 -3.328 1.808 1292 HZ PHE 73 HZ PHE 73 -8.670 -1.051 2.324 1293 H MET 74 HN MET 74 -3.757 -2.004 -2.214 1294 HA MET 74 HA MET 74 -3.564 -0.324 0.091 1295 1HB MET 74 HB2 MET 74 -2.143 -2.501 -0.792 1296 2HB MET 74 HB1 MET 74 -0.992 -1.219 -1.151 1297 1HG MET 74 HG2 MET 74 -1.588 -0.438 1.324 1298 2HG MET 74 HG1 MET 74 -2.055 -2.127 1.499 1299 1HE MET 74 HE1 MET 74 -0.043 -1.936 3.487 1300 2HE MET 74 HE2 MET 74 1.123 -3.154 2.984 1301 3HE MET 74 HE3 MET 74 -0.594 -3.435 2.724 1302 H ALA 75 HN ALA 75 -2.266 -0.130 -3.181 1303 HA ALA 75 HA ALA 75 -0.776 2.273 -2.897 1304 1HB ALA 75 HB1 ALA 75 -0.851 2.501 -5.233 1305 2HB ALA 75 HB2 ALA 75 -2.454 1.794 -5.351 1306 3HB ALA 75 HB3 ALA 75 -1.066 0.772 -4.994 1307 H PHE 76 HN PHE 76 -4.185 1.835 -2.688 1308 HA PHE 76 HA PHE 76 -4.886 4.605 -3.302 1309 1HB PHE 76 HB2 PHE 76 -6.663 2.969 -3.464 1310 2HB PHE 76 HB1 PHE 76 -6.395 2.447 -1.811 1311 HD1 PHE 76 HD1 PHE 76 -8.015 3.148 -0.300 1312 HD2 PHE 76 HD2 PHE 76 -6.917 5.740 -3.550 1313 HE1 PHE 76 HE1 PHE 76 -9.635 4.835 0.500 1314 HE2 PHE 76 HE2 PHE 76 -8.540 7.431 -2.742 1315 HZ PHE 76 HZ PHE 76 -9.902 6.977 -0.714 1316 H VAL 77 HN VAL 77 -4.615 2.775 -0.255 1317 HA VAL 77 HA VAL 77 -4.886 5.002 1.492 1318 HB VAL 77 HB VAL 77 -3.103 2.593 1.953 1319 1HG1 VAL 77 HG11 VAL 77 -3.518 3.011 4.278 1320 2HG1 VAL 77 HG12 VAL 77 -4.763 4.204 3.901 1321 3HG1 VAL 77 HG13 VAL 77 -3.070 4.558 3.565 1322 1HG2 VAL 77 HG21 VAL 77 -5.014 1.384 2.726 1323 2HG2 VAL 77 HG22 VAL 77 -5.466 2.030 1.152 1324 3HG2 VAL 77 HG23 VAL 77 -6.046 2.809 2.624 1325 H SER 78 HN SER 78 -2.158 3.766 -0.323 1326 HA SER 78 HA SER 78 -0.029 5.178 0.908 1327 1HB SER 78 HB2 SER 78 1.216 4.666 -1.026 1328 2HB SER 78 HB1 SER 78 0.004 3.390 -0.993 1329 HG SER 78 HG SER 78 -1.236 5.136 -2.261 1330 H MET 79 HN MET 79 -2.344 6.108 -1.584 1331 HA MET 79 HA MET 79 -1.116 8.664 -2.112 1332 1HB MET 79 HB2 MET 79 -2.729 7.422 -3.663 1333 2HB MET 79 HB1 MET 79 -4.018 7.964 -2.588 1334 1HG MET 79 HG2 MET 79 -2.837 10.342 -2.951 1335 2HG MET 79 HG1 MET 79 -2.299 9.572 -4.444 1336 1HE MET 79 HE1 MET 79 -5.400 8.667 -6.351 1337 2HE MET 79 HE2 MET 79 -4.156 7.776 -5.480 1338 3HE MET 79 HE3 MET 79 -3.705 9.158 -6.472 1339 H VAL 80 HN VAL 80 -3.382 7.422 0.177 1340 HA VAL 80 HA VAL 80 -4.259 10.059 1.074 1341 HB VAL 80 HB VAL 80 -4.508 7.390 2.508 1342 1HG1 VAL 80 HG11 VAL 80 -4.927 9.206 4.005 1343 2HG1 VAL 80 HG12 VAL 80 -6.510 8.600 3.515 1344 3HG1 VAL 80 HG13 VAL 80 -5.868 10.076 2.794 1345 1HG2 VAL 80 HG21 VAL 80 -5.610 7.094 0.408 1346 2HG2 VAL 80 HG22 VAL 80 -6.305 8.715 0.465 1347 3HG2 VAL 80 HG23 VAL 80 -6.876 7.467 1.576 1348 H THR 81 HN THR 81 -2.034 7.463 1.983 1349 HA THR 81 HA THR 81 -1.119 8.713 4.393 1350 HB THR 81 HB THR 81 0.351 6.803 2.546 1351 HG1 THR 81 HG1 THR 81 -1.067 5.437 3.211 1352 1HG2 THR 81 HG21 THR 81 1.296 6.163 4.928 1353 2HG2 THR 81 HG22 THR 81 0.830 7.814 5.338 1354 3HG2 THR 81 HG23 THR 81 1.990 7.520 4.039 1355 H THR 82 HN THR 82 -0.122 8.934 0.947 1356 HA THR 82 HA THR 82 2.273 10.412 1.503 1357 HB THR 82 HB THR 82 2.038 11.122 -0.904 1358 HG1 THR 82 HG1 THR 82 0.299 10.504 -1.994 1359 1HG2 THR 82 HG21 THR 82 2.144 8.336 0.169 1360 2HG2 THR 82 HG22 THR 82 3.298 9.206 -0.842 1361 3HG2 THR 82 HG23 THR 82 1.857 8.488 -1.566 1362 H ALA 83 HN ALA 83 -1.099 11.546 0.901 1363 HA ALA 83 HA ALA 83 -0.359 14.316 0.768 1364 1HB ALA 83 HB1 ALA 83 -2.524 13.592 -0.065 1365 2HB ALA 83 HB2 ALA 83 -2.790 14.701 1.280 1366 3HB ALA 83 HB3 ALA 83 -2.967 12.963 1.522 1367 H CYS 84 HN CYS 84 -1.495 12.225 3.434 1368 HA CYS 84 HA CYS 84 -1.496 14.272 5.436 1369 1HB CYS 84 HB2 CYS 84 -2.548 12.142 5.912 1370 2HB CYS 84 HB1 CYS 84 -1.031 11.281 5.645 1371 HG CYS 84 HG CYS 84 -1.334 11.665 8.236 1372 H HIS 85 HN HIS 85 1.036 12.918 3.672 1373 HA HIS 85 HA HIS 85 3.082 13.601 5.748 1374 1HB HIS 85 HB2 HIS 85 3.618 11.453 5.032 1375 2HB HIS 85 HB1 HIS 85 2.970 11.713 3.419 1376 HD1 HIS 85 HD1 HIS 85 4.693 11.985 1.658 1377 HD2 HIS 85 HD2 HIS 85 6.159 13.116 5.392 1378 HE1 HIS 85 HE1 HIS 85 7.112 12.626 1.310 1379 H GLU 86 HN GLU 86 2.012 14.297 2.443 1380 HA GLU 86 HA GLU 86 4.231 16.084 1.884 1381 1HB GLU 86 HB2 GLU 86 2.980 14.943 0.077 1382 2HB GLU 86 HB1 GLU 86 1.527 15.833 0.531 1383 1HG GLU 86 HG2 GLU 86 2.649 16.896 -1.392 1384 2HG GLU 86 HG1 GLU 86 2.662 17.963 0.010 1385 H PHE 87 HN PHE 87 0.826 16.530 2.789 1386 HA PHE 87 HA PHE 87 0.961 19.402 2.876 1387 1HB PHE 87 HB2 PHE 87 -0.902 17.358 4.095 1388 2HB PHE 87 HB1 PHE 87 -1.097 19.082 4.413 1389 HD1 PHE 87 HD1 PHE 87 -2.388 20.363 2.931 1390 HD2 PHE 87 HD2 PHE 87 -0.621 16.698 1.551 1391 HE1 PHE 87 HE1 PHE 87 -3.549 20.621 0.755 1392 HE2 PHE 87 HE2 PHE 87 -1.779 16.959 -0.625 1393 HZ PHE 87 HZ PHE 87 -3.244 18.920 -1.023 1394 H PHE 88 HN PHE 88 1.826 16.861 5.126 1395 HA PHE 88 HA PHE 88 1.923 18.515 7.483 1396 1HB PHE 88 HB2 PHE 88 3.019 15.829 6.702 1397 2HB PHE 88 HB1 PHE 88 3.685 16.604 8.137 1398 HD1 PHE 88 HD1 PHE 88 2.799 15.276 9.891 1399 HD2 PHE 88 HD2 PHE 88 0.177 16.821 6.858 1400 HE1 PHE 88 HE1 PHE 88 0.834 14.537 11.209 1401 HE2 PHE 88 HE2 PHE 88 -1.784 16.082 8.177 1402 HZ PHE 88 HZ PHE 88 -1.457 14.940 10.354 1403 H GLU 89 HN GLU 89 4.403 17.555 5.115 1404 HA GLU 89 HA GLU 89 6.506 19.043 6.400 1405 1HB GLU 89 HB2 GLU 89 6.145 18.094 3.543 1406 2HB GLU 89 HB1 GLU 89 7.615 18.876 4.124 1407 1HG GLU 89 HG2 GLU 89 7.706 17.087 5.935 1408 2HG GLU 89 HG1 GLU 89 6.432 16.248 5.049 1409 H HIS 90 HN HIS 90 6.066 19.956 3.134 1410 HA HIS 90 HA HIS 90 5.988 22.768 3.845 1411 1HB HIS 90 HB2 HIS 90 5.600 21.365 1.181 1412 2HB HIS 90 HB1 HIS 90 5.739 23.112 1.379 1413 HD1 HIS 90 HD1 HIS 90 8.068 24.081 1.898 1414 HD2 HIS 90 HD2 HIS 90 8.037 19.915 1.672 1415 HE1 HIS 90 HE1 HIS 90 10.494 23.344 1.860 1416 HE2 HIS 90 HE2 HIS 90 10.485 20.811 1.722 1417 H GLU 91 HN GLU 91 4.070 23.269 4.949 1418 HA GLU 91 HA GLU 91 1.503 22.216 4.230 1419 1HB GLU 91 HB2 GLU 91 2.370 24.642 5.816 1420 2HB GLU 91 HB1 GLU 91 0.671 24.224 5.588 1421 1HG GLU 91 HG2 GLU 91 0.890 22.178 6.758 1422 2HG GLU 91 HG1 GLU 91 2.649 22.192 6.628 Start of MODEL 13 1 1H MET 0 HT1 MET 0 -11.685 -0.957 14.577 2 2H MET 0 HT2 MET 0 -10.170 -0.626 13.886 3 3H MET 0 HT3 MET 0 -11.400 -1.325 12.946 4 HA MET 0 HA MET 0 -12.133 0.662 12.350 5 1HB MET 0 HB2 MET 0 -13.539 0.547 14.362 6 2HB MET 0 HB1 MET 0 -12.226 1.214 15.332 7 1HG MET 0 HG2 MET 0 -12.311 3.309 14.144 8 2HG MET 0 HG1 MET 0 -13.437 2.650 12.956 9 1HE MET 0 HE1 MET 0 -14.177 4.976 13.602 10 2HE MET 0 HE2 MET 0 -13.975 5.414 15.297 11 3HE MET 0 HE3 MET 0 -15.594 5.199 14.637 12 H SER 1 HN SER 1 -10.598 1.826 11.304 13 HA SER 1 HA SER 1 -9.054 3.563 11.007 14 1HB SER 1 HB2 SER 1 -9.921 4.274 13.403 15 2HB SER 1 HB1 SER 1 -8.354 3.652 13.924 16 HG SER 1 HG SER 1 -8.677 5.985 13.113 17 H GLU 2 HN GLU 2 -8.711 0.518 12.023 18 HA GLU 2 HA GLU 2 -5.996 0.166 12.753 19 1HB GLU 2 HB2 GLU 2 -7.853 -1.529 11.066 20 2HB GLU 2 HB1 GLU 2 -6.204 -2.039 11.431 21 1HG GLU 2 HG2 GLU 2 -8.074 -1.183 13.643 22 2HG GLU 2 HG1 GLU 2 -8.124 -2.827 13.011 23 H LEU 3 HN LEU 3 -7.528 0.954 9.745 24 HA LEU 3 HA LEU 3 -5.173 0.607 8.094 25 1HB LEU 3 HB2 LEU 3 -7.396 0.411 7.127 26 2HB LEU 3 HB1 LEU 3 -7.828 2.021 7.693 27 HG LEU 3 HG LEU 3 -6.260 3.043 6.190 28 1HD1 LEU 3 HD11 LEU 3 -5.311 0.207 5.793 29 2HD1 LEU 3 HD12 LEU 3 -4.362 1.648 6.153 30 3HD1 LEU 3 HD13 LEU 3 -5.037 1.417 4.545 31 1HD2 LEU 3 HD21 LEU 3 -7.417 2.653 4.195 32 2HD2 LEU 3 HD22 LEU 3 -8.541 1.948 5.351 33 3HD2 LEU 3 HD23 LEU 3 -7.457 0.908 4.433 34 H GLU 4 HN GLU 4 -6.523 3.080 10.130 35 HA GLU 4 HA GLU 4 -5.031 5.316 9.054 36 1HB GLU 4 HB2 GLU 4 -7.100 5.425 10.579 37 2HB GLU 4 HB1 GLU 4 -6.004 5.028 11.904 38 1HG GLU 4 HG2 GLU 4 -6.086 7.401 11.888 39 2HG GLU 4 HG1 GLU 4 -4.568 7.002 11.083 40 H LYS 5 HN LYS 5 -4.551 2.880 11.531 41 HA LYS 5 HA LYS 5 -2.106 3.949 12.615 42 1HB LYS 5 HB2 LYS 5 -3.512 1.302 12.656 43 2HB LYS 5 HB1 LYS 5 -1.789 1.258 13.018 44 1HG LYS 5 HG2 LYS 5 -2.825 1.531 15.113 45 2HG LYS 5 HG1 LYS 5 -2.260 3.137 14.698 46 1HD LYS 5 HD2 LYS 5 -4.423 3.730 15.250 47 2HD LYS 5 HD1 LYS 5 -4.737 3.261 13.583 48 1HE LYS 5 HE2 LYS 5 -6.351 1.979 14.643 49 2HE LYS 5 HE1 LYS 5 -5.010 0.838 14.724 50 1HZ LYS 5 HZ1 LYS 5 -5.874 2.726 16.843 51 2HZ LYS 5 HZ2 LYS 5 -4.459 1.787 16.920 52 3HZ LYS 5 HZ3 LYS 5 -5.980 1.032 16.877 53 H ALA 6 HN ALA 6 -2.782 1.720 9.982 54 HA ALA 6 HA ALA 6 -0.100 1.011 9.367 55 1HB ALA 6 HB1 ALA 6 -1.850 -0.302 8.418 56 2HB ALA 6 HB2 ALA 6 -1.077 0.516 7.061 57 3HB ALA 6 HB3 ALA 6 -2.607 1.115 7.695 58 H MET 7 HN MET 7 -2.141 3.419 7.679 59 HA MET 7 HA MET 7 -0.056 4.381 6.040 60 1HB MET 7 HB2 MET 7 -1.401 6.603 6.088 61 2HB MET 7 HB1 MET 7 -2.159 5.171 5.415 62 1HG MET 7 HG2 MET 7 -2.883 5.025 8.102 63 2HG MET 7 HG1 MET 7 -2.938 6.751 7.776 64 1HE MET 7 HE1 MET 7 -5.378 7.408 5.208 65 2HE MET 7 HE2 MET 7 -4.050 6.611 4.368 66 3HE MET 7 HE3 MET 7 -3.710 7.676 5.731 67 H VAL 8 HN VAL 8 -0.839 5.138 9.394 68 HA VAL 8 HA VAL 8 1.046 7.335 9.610 69 HB VAL 8 HB VAL 8 -0.412 5.545 11.559 70 1HG1 VAL 8 HG11 VAL 8 0.631 7.078 13.370 71 2HG1 VAL 8 HG12 VAL 8 1.882 7.408 12.172 72 3HG1 VAL 8 HG13 VAL 8 1.623 5.759 12.743 73 1HG2 VAL 8 HG21 VAL 8 -0.348 8.536 11.049 74 2HG2 VAL 8 HG22 VAL 8 -1.320 7.754 12.298 75 3HG2 VAL 8 HG23 VAL 8 -1.638 7.421 10.596 76 H ALA 9 HN ALA 9 1.178 3.976 10.727 77 HA ALA 9 HA ALA 9 3.895 3.916 11.538 78 1HB ALA 9 HB1 ALA 9 3.770 1.519 11.410 79 2HB ALA 9 HB2 ALA 9 2.472 1.590 10.217 80 3HB ALA 9 HB3 ALA 9 2.167 2.084 11.883 81 H LEU 10 HN LEU 10 2.494 3.700 8.328 82 HA LEU 10 HA LEU 10 4.945 2.841 7.015 83 1HB LEU 10 HB2 LEU 10 2.204 3.712 6.202 84 2HB LEU 10 HB1 LEU 10 3.463 3.873 4.983 85 HG LEU 10 HG LEU 10 3.429 1.247 6.428 86 1HD1 LEU 10 HD11 LEU 10 1.576 0.368 5.062 87 2HD1 LEU 10 HD12 LEU 10 1.249 1.994 4.476 88 3HD1 LEU 10 HD13 LEU 10 1.022 1.616 6.179 89 1HD2 LEU 10 HD21 LEU 10 3.581 2.059 3.504 90 2HD2 LEU 10 HD22 LEU 10 3.815 0.425 4.119 91 3HD2 LEU 10 HD23 LEU 10 4.958 1.698 4.547 92 H ILE 11 HN ILE 11 3.299 5.998 7.335 93 HA ILE 11 HA ILE 11 4.897 7.613 5.753 94 HB ILE 11 HB ILE 11 3.657 8.095 8.467 95 1HG1 ILE 11 HG12 ILE 11 3.079 9.343 5.767 96 2HG1 ILE 11 HG11 ILE 11 2.290 7.879 6.334 97 1HG2 ILE 11 HG21 ILE 11 5.391 9.664 8.632 98 2HG2 ILE 11 HG22 ILE 11 4.136 10.612 7.836 99 3HG2 ILE 11 HG23 ILE 11 5.457 9.927 6.890 100 1HD1 ILE 11 HD11 ILE 11 1.796 9.419 8.481 101 2HD1 ILE 11 HD12 ILE 11 0.750 9.446 7.067 102 3HD1 ILE 11 HD13 ILE 11 1.970 10.697 7.280 103 H ASP 12 HN ASP 12 5.676 6.213 8.905 104 HA ASP 12 HA ASP 12 8.158 7.672 9.207 105 1HB ASP 12 HB2 ASP 12 6.818 6.544 11.067 106 2HB ASP 12 HB1 ASP 12 7.493 5.019 10.489 107 H VAL 13 HN VAL 13 7.463 4.274 8.288 108 HA VAL 13 HA VAL 13 10.236 3.809 7.564 109 HB VAL 13 HB VAL 13 7.903 2.150 6.582 110 1HG1 VAL 13 HG11 VAL 13 9.558 0.322 6.846 111 2HG1 VAL 13 HG12 VAL 13 10.748 1.494 7.421 112 3HG1 VAL 13 HG13 VAL 13 10.158 1.578 5.761 113 1HG2 VAL 13 HG21 VAL 13 7.436 2.442 8.917 114 2HG2 VAL 13 HG22 VAL 13 9.140 2.280 9.342 115 3HG2 VAL 13 HG23 VAL 13 8.237 0.878 8.768 116 H PHE 14 HN PHE 14 7.402 5.034 5.922 117 HA PHE 14 HA PHE 14 8.447 4.590 3.247 118 1HB PHE 14 HB2 PHE 14 6.105 4.937 3.351 119 2HB PHE 14 HB1 PHE 14 6.278 6.365 4.366 120 HD1 PHE 14 HD1 PHE 14 5.629 8.306 3.219 121 HD2 PHE 14 HD2 PHE 14 7.824 5.270 1.113 122 HE1 PHE 14 HE1 PHE 14 5.691 9.743 1.198 123 HE2 PHE 14 HE2 PHE 14 7.881 6.707 -0.903 124 HZ PHE 14 HZ PHE 14 6.816 8.945 -0.858 125 H HIS 15 HN HIS 15 8.289 7.524 5.298 126 HA HIS 15 HA HIS 15 9.870 9.080 3.457 127 1HB HIS 15 HB2 HIS 15 8.245 9.891 5.315 128 2HB HIS 15 HB1 HIS 15 9.618 9.694 6.403 129 HD1 HIS 15 HD1 HIS 15 10.944 11.786 6.653 130 HD2 HIS 15 HD2 HIS 15 9.187 11.541 2.880 131 HE1 HIS 15 HE1 HIS 15 11.598 13.899 5.418 132 H GLN 16 HN GLN 16 10.710 7.071 6.272 133 HA GLN 16 HA GLN 16 13.371 8.055 6.576 134 1HB GLN 16 HB2 GLN 16 12.357 6.848 8.350 135 2HB GLN 16 HB1 GLN 16 11.933 5.505 7.295 136 1HG GLN 16 HG2 GLN 16 13.857 5.054 8.783 137 2HG GLN 16 HG1 GLN 16 14.248 4.861 7.084 138 1HE2 GLN 16 HE21 GLN 16 14.902 6.769 9.963 139 2HE2 GLN 16 HE22 GLN 16 16.112 7.743 9.276 140 H TYR 17 HN TYR 17 12.021 5.339 4.698 141 HA TYR 17 HA TYR 17 14.705 4.707 3.620 142 1HB TYR 17 HB2 TYR 17 11.957 3.482 3.312 143 2HB TYR 17 HB1 TYR 17 13.289 3.012 2.256 144 HD1 TYR 17 HD1 TYR 17 15.042 1.586 3.025 145 HD2 TYR 17 HD2 TYR 17 12.219 3.225 5.819 146 HE1 TYR 17 HE1 TYR 17 15.950 0.117 4.804 147 HE2 TYR 17 HE2 TYR 17 13.124 1.753 7.595 148 HH TYR 17 HH TYR 17 16.023 0.248 7.431 149 H SER 18 HN SER 18 11.524 5.584 2.210 150 HA SER 18 HA SER 18 12.506 6.128 -0.388 151 1HB SER 18 HB2 SER 18 10.440 7.153 -0.803 152 2HB SER 18 HB1 SER 18 10.052 6.094 0.550 153 HG SER 18 HG SER 18 10.911 8.237 1.678 154 H GLY 19 HN GLY 19 12.610 8.026 2.569 155 1HA GLY 19 HA2 GLY 19 13.609 10.417 1.131 156 2HA GLY 19 HA1 GLY 19 13.282 10.318 2.858 157 H ARG 20 HN ARG 20 15.000 7.562 2.062 158 HA ARG 20 HA ARG 20 17.395 8.519 3.372 159 1HB ARG 20 HB2 ARG 20 16.607 6.133 3.433 160 2HB ARG 20 HB1 ARG 20 17.010 6.002 1.723 161 1HG ARG 20 HG2 ARG 20 19.379 6.731 2.353 162 2HG ARG 20 HG1 ARG 20 18.902 6.499 4.034 163 1HD ARG 20 HD2 ARG 20 18.182 4.140 3.358 164 2HD ARG 20 HD1 ARG 20 19.031 4.422 1.836 165 HE ARG 20 HE ARG 20 21.056 4.121 2.999 166 1HH1 ARG 20 HH21 ARG 20 18.472 4.938 5.135 167 2HH1 ARG 20 HH22 ARG 20 19.414 4.713 6.571 168 1HH2 ARG 20 HH11 ARG 20 22.297 3.823 4.864 169 2HH2 ARG 20 HH12 ARG 20 21.576 4.082 6.417 170 H GLU 21 HN GLU 21 16.583 7.654 0.013 171 HA GLU 21 HA GLU 21 18.843 9.391 -0.908 172 1HB GLU 21 HB2 GLU 21 18.181 6.759 -2.233 173 2HB GLU 21 HB1 GLU 21 19.640 7.738 -2.406 174 1HG GLU 21 HG2 GLU 21 19.993 7.299 0.122 175 2HG GLU 21 HG1 GLU 21 18.785 6.027 -0.069 176 H GLY 22 HN GLY 22 18.607 9.802 -3.346 177 1HA GLY 22 HA2 GLY 22 17.249 10.212 -5.269 178 2HA GLY 22 HA1 GLY 22 15.842 9.634 -4.375 179 H ASP 23 HN ASP 23 14.987 11.721 -5.448 180 HA ASP 23 HA ASP 23 15.758 14.318 -4.756 181 1HB ASP 23 HB2 ASP 23 13.891 13.857 -6.290 182 2HB ASP 23 HB1 ASP 23 12.934 13.219 -4.952 183 H LYS 24 HN LYS 24 13.218 12.486 -3.037 184 HA LYS 24 HA LYS 24 14.294 12.840 -0.441 185 1HB LYS 24 HB2 LYS 24 13.247 15.264 -1.440 186 2HB LYS 24 HB1 LYS 24 11.967 14.656 -0.405 187 1HG LYS 24 HG2 LYS 24 14.860 14.906 0.472 188 2HG LYS 24 HG1 LYS 24 13.632 16.130 0.774 189 1HD LYS 24 HD2 LYS 24 12.310 14.566 2.079 190 2HD LYS 24 HD1 LYS 24 13.404 13.245 1.672 191 1HE LYS 24 HE2 LYS 24 13.738 14.347 3.967 192 2HE LYS 24 HE1 LYS 24 15.174 14.166 2.957 193 1HZ LYS 24 HZ1 LYS 24 14.901 16.444 2.215 194 2HZ LYS 24 HZ2 LYS 24 15.027 16.383 3.908 195 3HZ LYS 24 HZ3 LYS 24 13.512 16.619 3.175 196 H HIS 25 HN HIS 25 12.051 11.727 -2.629 197 HA HIS 25 HA HIS 25 10.729 10.112 -0.542 198 1HB HIS 25 HB2 HIS 25 8.922 11.568 -2.467 199 2HB HIS 25 HB1 HIS 25 8.519 10.799 -0.934 200 HD2 HIS 25 HD2 HIS 25 9.282 14.293 -2.246 201 HE1 HIS 25 HE1 HIS 25 9.878 14.488 1.930 202 HE2 HIS 25 HE2 HIS 25 9.630 15.858 -0.190 203 H LYS 26 HN LYS 26 12.470 9.108 -2.439 204 HA LYS 26 HA LYS 26 10.606 7.586 -4.218 205 1HB LYS 26 HB2 LYS 26 13.262 8.865 -4.918 206 2HB LYS 26 HB1 LYS 26 12.560 7.562 -5.876 207 1HG LYS 26 HG2 LYS 26 10.895 9.980 -5.210 208 2HG LYS 26 HG1 LYS 26 12.067 10.073 -6.519 209 1HD LYS 26 HD2 LYS 26 10.899 8.597 -7.873 210 2HD LYS 26 HD1 LYS 26 10.240 7.694 -6.512 211 1HE LYS 26 HE2 LYS 26 8.445 8.933 -7.609 212 2HE LYS 26 HE1 LYS 26 8.730 9.614 -6.008 213 1HZ LYS 26 HZ1 LYS 26 8.849 10.913 -8.473 214 2HZ LYS 26 HZ2 LYS 26 10.428 10.880 -7.846 215 3HZ LYS 26 HZ3 LYS 26 9.163 11.558 -6.936 216 H LEU 27 HN LEU 27 11.161 5.406 -4.412 217 HA LEU 27 HA LEU 27 13.049 4.452 -2.330 218 1HB LEU 27 HB2 LEU 27 10.540 3.585 -3.076 219 2HB LEU 27 HB1 LEU 27 11.558 2.435 -3.928 220 HG LEU 27 HG LEU 27 12.763 2.417 -1.444 221 1HD1 LEU 27 HD11 LEU 27 11.094 3.926 -0.473 222 2HD1 LEU 27 HD12 LEU 27 10.981 2.320 0.249 223 3HD1 LEU 27 HD13 LEU 27 9.809 2.826 -0.964 224 1HD2 LEU 27 HD21 LEU 27 12.222 0.377 -2.518 225 2HD2 LEU 27 HD22 LEU 27 10.503 0.752 -2.542 226 3HD2 LEU 27 HD23 LEU 27 11.297 0.360 -1.018 227 H LYS 28 HN LYS 28 15.037 3.737 -2.805 228 HA LYS 28 HA LYS 28 15.716 3.007 -5.640 229 1HB LYS 28 HB2 LYS 28 17.357 4.167 -3.380 230 2HB LYS 28 HB1 LYS 28 18.119 3.394 -4.770 231 1HG LYS 28 HG2 LYS 28 16.768 4.973 -6.240 232 2HG LYS 28 HG1 LYS 28 16.342 5.843 -4.763 233 1HD LYS 28 HD2 LYS 28 18.860 5.924 -4.283 234 2HD LYS 28 HD1 LYS 28 19.080 5.431 -5.962 235 1HE LYS 28 HE2 LYS 28 17.724 7.932 -4.943 236 2HE LYS 28 HE1 LYS 28 19.179 7.831 -5.930 237 1HZ LYS 28 HZ1 LYS 28 17.729 6.686 -7.624 238 2HZ LYS 28 HZ2 LYS 28 17.449 8.344 -7.398 239 3HZ LYS 28 HZ3 LYS 28 16.396 7.202 -6.711 240 H LYS 29 HN LYS 29 17.186 1.138 -5.884 241 HA LYS 29 HA LYS 29 16.444 -1.161 -4.476 242 1HB LYS 29 HB2 LYS 29 19.058 -0.488 -5.852 243 2HB LYS 29 HB1 LYS 29 18.706 -2.093 -5.211 244 1HG LYS 29 HG2 LYS 29 16.545 -1.991 -6.619 245 2HG LYS 29 HG1 LYS 29 17.291 -0.618 -7.439 246 1HD LYS 29 HD2 LYS 29 18.398 -3.432 -7.242 247 2HD LYS 29 HD1 LYS 29 17.785 -2.641 -8.693 248 1HE LYS 29 HE2 LYS 29 19.587 -0.851 -8.272 249 2HE LYS 29 HE1 LYS 29 20.293 -2.001 -7.139 250 1HZ LYS 29 HZ1 LYS 29 21.181 -3.095 -8.824 251 2HZ LYS 29 HZ2 LYS 29 20.556 -1.947 -9.909 252 3HZ LYS 29 HZ3 LYS 29 19.656 -3.336 -9.524 253 H SER 30 HN SER 30 19.172 1.036 -3.740 254 HA SER 30 HA SER 30 20.312 -0.372 -1.590 255 1HB SER 30 HB2 SER 30 19.920 2.600 -2.018 256 2HB SER 30 HB1 SER 30 20.830 1.953 -0.655 257 HG SER 30 HG SER 30 21.492 2.134 -3.312 258 H GLU 31 HN GLU 31 17.225 1.035 -1.867 259 HA GLU 31 HA GLU 31 16.767 0.983 1.094 260 1HB GLU 31 HB2 GLU 31 15.022 2.058 -1.132 261 2HB GLU 31 HB1 GLU 31 14.690 2.182 0.592 262 1HG GLU 31 HG2 GLU 31 16.653 3.544 0.941 263 2HG GLU 31 HG1 GLU 31 17.186 3.285 -0.720 264 H LEU 32 HN LEU 32 15.594 -0.394 -1.958 265 HA LEU 32 HA LEU 32 13.544 -1.939 -0.678 266 1HB LEU 32 HB2 LEU 32 14.195 -1.381 -3.306 267 2HB LEU 32 HB1 LEU 32 14.671 -3.070 -3.185 268 HG LEU 32 HG LEU 32 11.951 -2.017 -2.341 269 1HD1 LEU 32 HD11 LEU 32 12.419 -1.800 -4.813 270 2HD1 LEU 32 HD12 LEU 32 11.077 -2.874 -4.415 271 3HD1 LEU 32 HD13 LEU 32 12.641 -3.547 -4.861 272 1HD2 LEU 32 HD21 LEU 32 12.627 -4.086 -1.232 273 2HD2 LEU 32 HD22 LEU 32 13.062 -4.801 -2.780 274 3HD2 LEU 32 HD23 LEU 32 11.375 -4.439 -2.421 275 H LYS 33 HN LYS 33 16.882 -2.708 -1.631 276 HA LYS 33 HA LYS 33 16.759 -5.412 -0.604 277 1HB LYS 33 HB2 LYS 33 18.367 -4.574 -2.331 278 2HB LYS 33 HB1 LYS 33 19.124 -3.577 -1.091 279 1HG LYS 33 HG2 LYS 33 19.405 -5.830 0.214 280 2HG LYS 33 HG1 LYS 33 19.120 -6.581 -1.356 281 1HD LYS 33 HD2 LYS 33 21.428 -6.348 -1.461 282 2HD LYS 33 HD1 LYS 33 20.937 -4.807 -2.163 283 1HE LYS 33 HE2 LYS 33 22.684 -4.479 -0.451 284 2HE LYS 33 HE1 LYS 33 21.169 -3.725 0.047 285 1HZ LYS 33 HZ1 LYS 33 21.318 -6.448 0.878 286 2HZ LYS 33 HZ2 LYS 33 21.040 -5.051 1.803 287 3HZ LYS 33 HZ3 LYS 33 22.629 -5.551 1.474 288 H GLU 34 HN GLU 34 17.705 -2.263 0.651 289 HA GLU 34 HA GLU 34 18.665 -3.364 3.194 290 1HB GLU 34 HB2 GLU 34 19.538 -1.229 2.208 291 2HB GLU 34 HB1 GLU 34 17.980 -0.481 2.565 292 1HG GLU 34 HG2 GLU 34 18.308 -1.128 4.977 293 2HG GLU 34 HG1 GLU 34 19.930 -1.673 4.553 294 H LEU 35 HN LEU 35 15.667 -1.960 2.005 295 HA LEU 35 HA LEU 35 14.460 -1.693 4.621 296 1HB LEU 35 HB2 LEU 35 13.563 -0.415 2.735 297 2HB LEU 35 HB1 LEU 35 13.225 -1.906 1.855 298 HG LEU 35 HG LEU 35 11.563 -2.580 3.487 299 1HD1 LEU 35 HD11 LEU 35 12.608 -0.203 5.014 300 2HD1 LEU 35 HD12 LEU 35 12.361 -1.853 5.581 301 3HD1 LEU 35 HD13 LEU 35 10.975 -0.804 5.300 302 1HD2 LEU 35 HD21 LEU 35 11.269 0.320 2.668 303 2HD2 LEU 35 HD22 LEU 35 9.950 -0.700 3.238 304 3HD2 LEU 35 HD23 LEU 35 10.779 -1.091 1.730 305 H ILE 36 HN ILE 36 14.645 -4.207 2.176 306 HA ILE 36 HA ILE 36 12.716 -5.959 3.401 307 HB ILE 36 HB ILE 36 14.929 -6.376 1.378 308 1HG1 ILE 36 HG12 ILE 36 11.933 -6.681 1.118 309 2HG1 ILE 36 HG11 ILE 36 12.762 -5.153 0.827 310 1HG2 ILE 36 HG21 ILE 36 14.818 -8.504 2.450 311 2HG2 ILE 36 HG22 ILE 36 13.788 -8.649 1.025 312 3HG2 ILE 36 HG23 ILE 36 13.065 -8.410 2.618 313 1HD1 ILE 36 HD11 ILE 36 13.417 -7.752 -0.581 314 2HD1 ILE 36 HD12 ILE 36 14.081 -6.160 -0.951 315 3HD1 ILE 36 HD13 ILE 36 12.377 -6.501 -1.255 316 H ASN 37 HN ASN 37 16.217 -5.567 3.649 317 HA ASN 37 HA ASN 37 16.515 -7.854 5.449 318 1HB ASN 37 HB2 ASN 37 18.344 -7.197 3.957 319 2HB ASN 37 HB1 ASN 37 18.437 -5.621 4.747 320 1HD2 ASN 37 HD21 ASN 37 20.722 -6.246 5.343 321 2HD2 ASN 37 HD22 ASN 37 20.973 -7.259 6.681 322 H ASN 38 HN ASN 38 15.892 -4.435 5.873 323 HA ASN 38 HA ASN 38 16.751 -4.518 8.706 324 1HB ASN 38 HB2 ASN 38 15.522 -2.313 7.034 325 2HB ASN 38 HB1 ASN 38 16.040 -2.120 8.707 326 1HD2 ASN 38 HD21 ASN 38 17.780 -4.137 6.344 327 2HD2 ASN 38 HD22 ASN 38 19.165 -3.161 6.281 328 H GLU 39 HN GLU 39 13.664 -4.070 6.947 329 HA GLU 39 HA GLU 39 12.214 -4.357 9.566 330 1HB GLU 39 HB2 GLU 39 11.176 -3.416 6.872 331 2HB GLU 39 HB1 GLU 39 10.321 -3.348 8.414 332 1HG GLU 39 HG2 GLU 39 12.954 -1.943 7.884 333 2HG GLU 39 HG1 GLU 39 11.379 -1.162 7.746 334 H LEU 40 HN LEU 40 11.788 -5.365 6.153 335 HA LEU 40 HA LEU 40 10.096 -7.609 6.999 336 1HB LEU 40 HB2 LEU 40 11.154 -7.416 4.203 337 2HB LEU 40 HB1 LEU 40 9.550 -7.847 4.759 338 HG LEU 40 HG LEU 40 10.689 -5.035 4.810 339 1HD1 LEU 40 HD11 LEU 40 9.116 -4.619 2.954 340 2HD1 LEU 40 HD12 LEU 40 8.691 -6.331 2.940 341 3HD1 LEU 40 HD13 LEU 40 10.324 -5.824 2.522 342 1HD2 LEU 40 HD21 LEU 40 8.595 -4.306 5.583 343 2HD2 LEU 40 HD22 LEU 40 8.803 -5.801 6.486 344 3HD2 LEU 40 HD23 LEU 40 7.773 -5.776 5.056 345 H SER 41 HN SER 41 12.805 -7.609 8.048 346 HA SER 41 HA SER 41 14.234 -9.700 6.541 347 1HB SER 41 HB2 SER 41 16.026 -8.900 7.698 348 2HB SER 41 HB1 SER 41 14.949 -7.701 8.403 349 HG SER 41 HG SER 41 15.626 -8.735 10.152 350 H HIS 42 HN HIS 42 11.905 -9.497 9.098 351 HA HIS 42 HA HIS 42 12.529 -12.220 10.100 352 1HB HIS 42 HB2 HIS 42 11.931 -10.492 11.740 353 2HB HIS 42 HB1 HIS 42 10.399 -10.215 10.911 354 HD1 HIS 42 HD1 HIS 42 11.776 -13.682 11.388 355 HD2 HIS 42 HD2 HIS 42 8.835 -11.239 13.057 356 HE1 HIS 42 HE1 HIS 42 10.385 -15.164 12.904 357 HE2 HIS 42 HE2 HIS 42 8.593 -13.685 13.924 358 H PHE 43 HN PHE 43 10.344 -10.604 7.924 359 HA PHE 43 HA PHE 43 8.646 -13.069 7.724 360 1HB PHE 43 HB2 PHE 43 8.179 -10.162 7.044 361 2HB PHE 43 HB1 PHE 43 7.190 -11.427 6.314 362 HD1 PHE 43 HD1 PHE 43 8.238 -9.921 9.550 363 HD2 PHE 43 HD2 PHE 43 5.521 -12.591 7.568 364 HE1 PHE 43 HE1 PHE 43 6.868 -10.058 11.610 365 HE2 PHE 43 HE2 PHE 43 4.149 -12.727 9.628 366 HZ PHE 43 HZ PHE 43 4.822 -11.461 11.651 367 H LEU 44 HN LEU 44 10.207 -10.611 5.615 368 HA LEU 44 HA LEU 44 10.047 -12.498 3.348 369 1HB LEU 44 HB2 LEU 44 10.875 -9.625 3.642 370 2HB LEU 44 HB1 LEU 44 11.316 -10.514 2.197 371 HG LEU 44 HG LEU 44 9.185 -9.226 1.962 372 1HD1 LEU 44 HD11 LEU 44 8.190 -10.821 0.633 373 2HD1 LEU 44 HD12 LEU 44 8.347 -12.100 1.832 374 3HD1 LEU 44 HD13 LEU 44 9.748 -11.607 0.880 375 1HD2 LEU 44 HD21 LEU 44 7.764 -11.223 3.695 376 2HD2 LEU 44 HD22 LEU 44 7.327 -9.562 3.299 377 3HD2 LEU 44 HD23 LEU 44 8.579 -9.877 4.482 378 H GLU 45 HN GLU 45 11.779 -13.702 2.636 379 HA GLU 45 HA GLU 45 14.004 -14.205 4.288 380 1HB GLU 45 HB2 GLU 45 15.081 -15.092 2.110 381 2HB GLU 45 HB1 GLU 45 13.571 -15.836 2.628 382 1HG GLU 45 HG2 GLU 45 13.510 -13.473 0.755 383 2HG GLU 45 HG1 GLU 45 13.845 -15.083 0.124 384 H GLU 46 HN GLU 46 15.981 -13.239 4.546 385 HA GLU 46 HA GLU 46 16.403 -10.559 3.594 386 1HB GLU 46 HB2 GLU 46 17.414 -11.450 5.684 387 2HB GLU 46 HB1 GLU 46 18.422 -12.528 4.720 388 1HG GLU 46 HG2 GLU 46 19.494 -10.620 3.637 389 2HG GLU 46 HG1 GLU 46 18.429 -9.503 4.493 390 H ILE 47 HN ILE 47 16.495 -10.383 1.345 391 HA ILE 47 HA ILE 47 17.837 -12.302 -0.329 392 HB ILE 47 HB ILE 47 17.409 -10.823 -2.141 393 1HG1 ILE 47 HG12 ILE 47 17.371 -8.640 -0.034 394 2HG1 ILE 47 HG11 ILE 47 18.461 -8.797 -1.409 395 1HG2 ILE 47 HG21 ILE 47 15.099 -10.321 -1.897 396 2HG2 ILE 47 HG22 ILE 47 15.259 -10.078 -0.156 397 3HG2 ILE 47 HG23 ILE 47 15.395 -11.701 -0.835 398 1HD1 ILE 47 HD11 ILE 47 15.569 -7.979 -1.395 399 2HD1 ILE 47 HD12 ILE 47 16.299 -8.642 -2.852 400 3HD1 ILE 47 HD13 ILE 47 16.941 -7.166 -2.137 401 H LYS 48 HN LYS 48 19.974 -12.448 -0.869 402 HA LYS 48 HA LYS 48 21.831 -10.346 0.189 403 1HB LYS 48 HB2 LYS 48 22.149 -12.786 0.853 404 2HB LYS 48 HB1 LYS 48 22.523 -13.116 -0.837 405 1HG LYS 48 HG2 LYS 48 24.474 -11.756 -0.791 406 2HG LYS 48 HG1 LYS 48 23.991 -10.970 0.708 407 1HD LYS 48 HD2 LYS 48 25.703 -12.521 1.308 408 2HD LYS 48 HD1 LYS 48 24.190 -13.261 1.825 409 1HE LYS 48 HE2 LYS 48 25.661 -14.882 0.655 410 2HE LYS 48 HE1 LYS 48 24.148 -14.638 -0.210 411 1HZ LYS 48 HZ1 LYS 48 26.497 -12.984 -0.854 412 2HZ LYS 48 HZ2 LYS 48 25.171 -13.393 -1.835 413 3HZ LYS 48 HZ3 LYS 48 26.366 -14.550 -1.494 414 H GLU 49 HN GLU 49 20.393 -11.616 -2.602 415 HA GLU 49 HA GLU 49 22.373 -10.241 -4.395 416 1HB GLU 49 HB2 GLU 49 20.613 -12.665 -4.836 417 2HB GLU 49 HB1 GLU 49 21.340 -11.776 -6.173 418 1HG GLU 49 HG2 GLU 49 22.773 -13.664 -5.539 419 2HG GLU 49 HG1 GLU 49 23.582 -12.139 -5.178 420 H GLN 50 HN GLN 50 21.533 -8.699 -5.798 421 HA GLN 50 HA GLN 50 18.878 -7.672 -5.208 422 1HB GLN 50 HB2 GLN 50 20.942 -6.931 -7.301 423 2HB GLN 50 HB1 GLN 50 19.434 -6.051 -7.058 424 1HG GLN 50 HG2 GLN 50 20.055 -5.601 -4.723 425 2HG GLN 50 HG1 GLN 50 21.555 -6.501 -4.944 426 1HE2 GLN 50 HE21 GLN 50 21.230 -3.583 -4.305 427 2HE2 GLN 50 HE22 GLN 50 22.027 -2.756 -5.555 428 H GLU 51 HN GLU 51 20.123 -9.988 -7.419 429 HA GLU 51 HA GLU 51 18.637 -9.787 -9.686 430 1HB GLU 51 HB2 GLU 51 19.212 -12.284 -8.084 431 2HB GLU 51 HB1 GLU 51 18.548 -12.314 -9.718 432 1HG GLU 51 HG2 GLU 51 20.502 -11.283 -10.634 433 2HG GLU 51 HG1 GLU 51 21.118 -10.872 -9.032 434 H VAL 52 HN VAL 52 17.360 -10.971 -6.586 435 HA VAL 52 HA VAL 52 14.744 -11.448 -7.804 436 HB VAL 52 HB VAL 52 14.028 -11.628 -5.344 437 1HG1 VAL 52 HG11 VAL 52 15.237 -13.801 -5.043 438 2HG1 VAL 52 HG12 VAL 52 16.268 -13.374 -6.409 439 3HG1 VAL 52 HG13 VAL 52 14.539 -13.617 -6.653 440 1HG2 VAL 52 HG21 VAL 52 15.954 -10.213 -4.526 441 2HG2 VAL 52 HG22 VAL 52 17.030 -11.556 -4.903 442 3HG2 VAL 52 HG23 VAL 52 15.778 -11.746 -3.677 443 H VAL 53 HN VAL 53 16.315 -8.900 -5.925 444 HA VAL 53 HA VAL 53 13.955 -7.334 -5.634 445 HB VAL 53 HB VAL 53 16.602 -7.101 -4.799 446 1HG1 VAL 53 HG11 VAL 53 17.110 -5.966 -7.017 447 2HG1 VAL 53 HG12 VAL 53 17.490 -5.008 -5.588 448 3HG1 VAL 53 HG13 VAL 53 16.029 -4.670 -6.515 449 1HG2 VAL 53 HG21 VAL 53 14.460 -4.967 -4.704 450 2HG2 VAL 53 HG22 VAL 53 15.852 -5.076 -3.630 451 3HG2 VAL 53 HG23 VAL 53 14.607 -6.326 -3.591 452 H ASP 54 HN ASP 54 16.019 -8.035 -8.283 453 HA ASP 54 HA ASP 54 15.114 -5.780 -9.931 454 1HB ASP 54 HB2 ASP 54 16.446 -8.362 -10.809 455 2HB ASP 54 HB1 ASP 54 16.342 -6.857 -11.725 456 H LYS 55 HN LYS 55 14.320 -9.176 -9.407 457 HA LYS 55 HA LYS 55 12.389 -9.306 -11.580 458 1HB LYS 55 HB2 LYS 55 13.367 -11.360 -10.754 459 2HB LYS 55 HB1 LYS 55 12.796 -11.033 -9.120 460 1HG LYS 55 HG2 LYS 55 10.670 -11.060 -11.216 461 2HG LYS 55 HG1 LYS 55 11.451 -12.611 -10.931 462 1HD LYS 55 HD2 LYS 55 10.738 -12.725 -8.703 463 2HD LYS 55 HD1 LYS 55 10.516 -10.982 -8.576 464 1HE LYS 55 HE2 LYS 55 8.517 -11.040 -9.872 465 2HE LYS 55 HE1 LYS 55 8.822 -12.693 -10.403 466 1HZ LYS 55 HZ1 LYS 55 7.514 -13.262 -8.704 467 2HZ LYS 55 HZ2 LYS 55 7.633 -11.737 -7.965 468 3HZ LYS 55 HZ3 LYS 55 8.839 -12.903 -7.707 469 H VAL 56 HN VAL 56 12.008 -9.034 -8.013 470 HA VAL 56 HA VAL 56 9.192 -8.695 -8.030 471 HB VAL 56 HB VAL 56 10.755 -8.969 -5.993 472 1HG1 VAL 56 HG11 VAL 56 12.061 -6.856 -6.721 473 2HG1 VAL 56 HG12 VAL 56 11.719 -7.061 -5.008 474 3HG1 VAL 56 HG13 VAL 56 10.749 -5.951 -5.978 475 1HG2 VAL 56 HG21 VAL 56 9.193 -7.598 -4.545 476 2HG2 VAL 56 HG22 VAL 56 8.383 -8.696 -5.664 477 3HG2 VAL 56 HG23 VAL 56 8.474 -6.973 -6.030 478 H MET 57 HN MET 57 11.810 -6.329 -8.412 479 HA MET 57 HA MET 57 10.137 -4.006 -8.548 480 1HB MET 57 HB2 MET 57 12.868 -4.648 -9.679 481 2HB MET 57 HB1 MET 57 12.114 -3.068 -9.888 482 1HG MET 57 HG2 MET 57 12.265 -4.230 -7.119 483 2HG MET 57 HG1 MET 57 13.718 -3.526 -7.823 484 1HE MET 57 HE1 MET 57 14.341 -1.342 -7.183 485 2HE MET 57 HE2 MET 57 13.391 0.091 -7.596 486 3HE MET 57 HE3 MET 57 13.805 -1.072 -8.853 487 H GLU 58 HN GLU 58 11.038 -6.448 -10.908 488 HA GLU 58 HA GLU 58 10.190 -5.049 -13.260 489 1HB GLU 58 HB2 GLU 58 11.551 -7.207 -13.158 490 2HB GLU 58 HB1 GLU 58 10.027 -8.039 -12.835 491 1HG GLU 58 HG2 GLU 58 10.364 -8.158 -15.206 492 2HG GLU 58 HG1 GLU 58 9.117 -6.940 -14.941 493 H THR 59 HN THR 59 8.470 -6.922 -10.837 494 HA THR 59 HA THR 59 5.975 -6.861 -12.402 495 HB THR 59 HB THR 59 6.476 -7.798 -9.566 496 HG1 THR 59 HG1 THR 59 7.634 -9.067 -10.952 497 1HG2 THR 59 HG21 THR 59 4.359 -9.157 -10.185 498 2HG2 THR 59 HG22 THR 59 4.138 -7.959 -11.459 499 3HG2 THR 59 HG23 THR 59 4.159 -7.456 -9.768 500 H LEU 60 HN LEU 60 7.384 -5.268 -9.564 501 HA LEU 60 HA LEU 60 4.882 -3.820 -9.026 502 1HB LEU 60 HB2 LEU 60 7.607 -3.929 -7.795 503 2HB LEU 60 HB1 LEU 60 6.646 -2.483 -7.493 504 HG LEU 60 HG LEU 60 6.344 -4.242 -5.762 505 1HD1 LEU 60 HD11 LEU 60 4.128 -3.710 -5.445 506 2HD1 LEU 60 HD12 LEU 60 3.659 -4.156 -7.084 507 3HD1 LEU 60 HD13 LEU 60 4.429 -2.600 -6.777 508 1HD2 LEU 60 HD21 LEU 60 5.352 -6.346 -6.257 509 2HD2 LEU 60 HD22 LEU 60 6.590 -6.123 -7.492 510 3HD2 LEU 60 HD23 LEU 60 4.893 -5.838 -7.880 511 H ASP 61 HN ASP 61 8.121 -2.856 -10.354 512 HA ASP 61 HA ASP 61 7.507 -0.129 -10.715 513 1HB ASP 61 HB2 ASP 61 9.717 -1.358 -11.028 514 2HB ASP 61 HB1 ASP 61 9.123 -1.804 -12.629 515 H GLU 62 HN GLU 62 5.719 0.557 -11.609 516 HA GLU 62 HA GLU 62 4.535 -0.827 -13.938 517 1HB GLU 62 HB2 GLU 62 3.042 -0.052 -12.117 518 2HB GLU 62 HB1 GLU 62 3.581 1.603 -12.391 519 1HG GLU 62 HG2 GLU 62 2.392 -0.033 -14.636 520 2HG GLU 62 HG1 GLU 62 1.360 0.843 -13.506 521 H ASP 63 HN ASP 63 5.824 2.348 -13.052 522 HA ASP 63 HA ASP 63 5.671 3.315 -15.796 523 1HB ASP 63 HB2 ASP 63 7.121 5.182 -14.893 524 2HB ASP 63 HB1 ASP 63 5.601 4.965 -14.025 525 H GLY 64 HN GLY 64 7.531 0.999 -14.301 526 1HA GLY 64 HA2 GLY 64 9.583 -0.005 -14.907 527 2HA GLY 64 HA1 GLY 64 9.301 0.693 -16.501 528 H ASP 65 HN ASP 65 9.777 2.338 -13.376 529 HA ASP 65 HA ASP 65 11.895 3.990 -14.698 530 1HB ASP 65 HB2 ASP 65 11.648 5.472 -12.737 531 2HB ASP 65 HB1 ASP 65 10.099 5.197 -13.534 532 H GLY 66 HN GLY 66 11.713 1.223 -12.853 533 1HA GLY 66 HA2 GLY 66 13.491 0.008 -11.857 534 2HA GLY 66 HA1 GLY 66 14.569 1.360 -12.219 535 H GLU 67 HN GLU 67 11.918 2.675 -10.866 536 HA GLU 67 HA GLU 67 12.943 2.463 -8.055 537 1HB GLU 67 HB2 GLU 67 11.949 4.913 -9.542 538 2HB GLU 67 HB1 GLU 67 12.257 4.858 -7.806 539 1HG GLU 67 HG2 GLU 67 14.599 4.381 -8.171 540 2HG GLU 67 HG1 GLU 67 14.338 4.198 -9.906 541 H CYS 68 HN CYS 68 11.161 3.234 -6.515 542 HA CYS 68 HA CYS 68 8.471 2.324 -7.520 543 1HB CYS 68 HB2 CYS 68 9.423 1.917 -4.689 544 2HB CYS 68 HB1 CYS 68 8.116 1.099 -5.544 545 HG CYS 68 HG CYS 68 11.087 0.655 -6.403 546 H ASP 69 HN ASP 69 7.558 4.399 -7.769 547 HA ASP 69 HA ASP 69 7.795 6.584 -6.017 548 1HB ASP 69 HB2 ASP 69 6.569 6.498 -8.266 549 2HB ASP 69 HB1 ASP 69 5.203 5.815 -7.384 550 H PHE 70 HN PHE 70 5.413 7.243 -4.805 551 HA PHE 70 HA PHE 70 5.401 5.388 -2.559 552 1HB PHE 70 HB2 PHE 70 3.469 7.052 -1.839 553 2HB PHE 70 HB1 PHE 70 5.149 7.560 -1.808 554 HD1 PHE 70 HD1 PHE 70 2.159 7.505 -4.068 555 HD2 PHE 70 HD2 PHE 70 5.824 9.462 -2.996 556 HE1 PHE 70 HE1 PHE 70 1.659 9.319 -5.679 557 HE2 PHE 70 HE2 PHE 70 5.327 11.277 -4.608 558 HZ PHE 70 HZ PHE 70 3.243 11.208 -5.950 559 H GLN 71 HN GLN 71 3.247 5.968 -5.280 560 HA GLN 71 HA GLN 71 1.026 4.586 -4.088 561 1HB GLN 71 HB2 GLN 71 0.142 4.517 -6.484 562 2HB GLN 71 HB1 GLN 71 0.408 6.104 -5.771 563 1HG GLN 71 HG2 GLN 71 1.290 6.183 -7.996 564 2HG GLN 71 HG1 GLN 71 2.677 6.120 -6.918 565 1HE2 GLN 71 HE21 GLN 71 0.573 3.365 -7.813 566 2HE2 GLN 71 HE22 GLN 71 1.793 2.482 -8.594 567 H GLU 72 HN GLU 72 3.663 3.517 -6.231 568 HA GLU 72 HA GLU 72 2.471 0.802 -6.254 569 1HB GLU 72 HB2 GLU 72 4.052 0.240 -7.919 570 2HB GLU 72 HB1 GLU 72 3.508 1.870 -8.311 571 1HG GLU 72 HG2 GLU 72 5.624 2.525 -6.768 572 2HG GLU 72 HG1 GLU 72 6.185 0.941 -7.307 573 H PHE 73 HN PHE 73 5.199 2.580 -4.866 574 HA PHE 73 HA PHE 73 6.653 0.407 -3.840 575 1HB PHE 73 HB2 PHE 73 7.536 2.628 -3.524 576 2HB PHE 73 HB1 PHE 73 6.090 3.132 -2.655 577 HD1 PHE 73 HD1 PHE 73 6.706 3.642 -0.461 578 HD2 PHE 73 HD2 PHE 73 8.274 0.078 -2.293 579 HE1 PHE 73 HE1 PHE 73 7.783 3.007 1.674 580 HE2 PHE 73 HE2 PHE 73 9.340 -0.544 -0.150 581 HZ PHE 73 HZ PHE 73 9.108 0.932 1.819 582 H MET 74 HN MET 74 3.833 2.053 -2.450 583 HA MET 74 HA MET 74 3.631 0.396 -0.143 584 1HB MET 74 HB2 MET 74 2.332 2.562 -0.829 585 2HB MET 74 HB1 MET 74 1.232 1.459 -1.645 586 1HG MET 74 HG2 MET 74 0.156 1.246 0.356 587 2HG MET 74 HG1 MET 74 1.544 0.320 0.912 588 1HE MET 74 HE1 MET 74 -0.402 1.840 2.789 589 2HE MET 74 HE2 MET 74 -0.720 3.146 1.648 590 3HE MET 74 HE3 MET 74 -0.014 3.511 3.220 591 H ALA 75 HN ALA 75 2.321 0.143 -3.413 592 HA ALA 75 HA ALA 75 0.840 -2.236 -3.129 593 1HB ALA 75 HB1 ALA 75 1.028 -2.579 -5.470 594 2HB ALA 75 HB2 ALA 75 2.606 -1.805 -5.540 595 3HB ALA 75 HB3 ALA 75 1.161 -0.835 -5.263 596 H PHE 76 HN PHE 76 4.293 -1.857 -2.939 597 HA PHE 76 HA PHE 76 4.890 -4.674 -3.442 598 1HB PHE 76 HB2 PHE 76 6.771 -3.201 -3.680 599 2HB PHE 76 HB1 PHE 76 6.504 -2.495 -2.093 600 HD1 PHE 76 HD1 PHE 76 6.803 -6.007 -3.427 601 HD2 PHE 76 HD2 PHE 76 8.117 -3.127 -0.518 602 HE1 PHE 76 HE1 PHE 76 8.282 -7.710 -2.401 603 HE2 PHE 76 HE2 PHE 76 9.595 -4.831 0.499 604 HZ PHE 76 HZ PHE 76 9.680 -7.120 -0.439 605 H VAL 77 HN VAL 77 4.601 -2.713 -0.496 606 HA VAL 77 HA VAL 77 4.947 -4.792 1.384 607 HB VAL 77 HB VAL 77 2.981 -2.491 1.613 608 1HG1 VAL 77 HG11 VAL 77 3.081 -4.426 3.347 609 2HG1 VAL 77 HG12 VAL 77 3.156 -2.775 3.949 610 3HG1 VAL 77 HG13 VAL 77 4.631 -3.733 3.815 611 1HG2 VAL 77 HG21 VAL 77 5.422 -1.919 0.894 612 2HG2 VAL 77 HG22 VAL 77 5.861 -2.418 2.522 613 3HG2 VAL 77 HG23 VAL 77 4.749 -1.072 2.279 614 H SER 78 HN SER 78 2.159 -3.831 -0.496 615 HA SER 78 HA SER 78 0.267 -5.572 0.772 616 1HB SER 78 HB2 SER 78 -1.191 -4.968 -1.060 617 2HB SER 78 HB1 SER 78 -0.302 -3.537 -0.545 618 HG SER 78 HG SER 78 -0.197 -3.701 -2.776 619 H MET 79 HN MET 79 2.581 -5.908 -1.815 620 HA MET 79 HA MET 79 1.463 -8.332 -2.917 621 1HB MET 79 HB2 MET 79 3.032 -6.758 -4.135 622 2HB MET 79 HB1 MET 79 4.327 -7.372 -3.110 623 1HG MET 79 HG2 MET 79 3.294 -9.735 -4.004 624 2HG MET 79 HG1 MET 79 2.923 -8.697 -5.381 625 1HE MET 79 HE1 MET 79 4.486 -10.319 -6.822 626 2HE MET 79 HE2 MET 79 5.938 -9.441 -7.296 627 3HE MET 79 HE3 MET 79 4.388 -8.604 -7.246 628 H VAL 80 HN VAL 80 3.805 -7.612 -0.395 629 HA VAL 80 HA VAL 80 4.429 -10.480 -0.077 630 HB VAL 80 HB VAL 80 6.144 -9.875 1.375 631 1HG1 VAL 80 HG11 VAL 80 7.251 -7.826 0.526 632 2HG1 VAL 80 HG12 VAL 80 5.767 -7.407 -0.322 633 3HG1 VAL 80 HG13 VAL 80 6.652 -8.861 -0.773 634 1HG2 VAL 80 HG21 VAL 80 4.956 -8.753 3.111 635 2HG2 VAL 80 HG22 VAL 80 4.495 -7.429 2.045 636 3HG2 VAL 80 HG23 VAL 80 6.173 -7.600 2.563 637 H THR 81 HN THR 81 2.488 -7.891 1.275 638 HA THR 81 HA THR 81 1.737 -9.367 3.670 639 HB THR 81 HB THR 81 0.124 -7.255 2.224 640 HG1 THR 81 HG1 THR 81 2.353 -6.720 2.891 641 1HG2 THR 81 HG21 THR 81 0.053 -8.425 4.992 642 2HG2 THR 81 HG22 THR 81 -1.262 -8.285 3.828 643 3HG2 THR 81 HG23 THR 81 -0.644 -6.846 4.639 644 H THR 82 HN THR 82 0.484 -9.057 0.324 645 HA THR 82 HA THR 82 -1.907 -10.529 0.727 646 HB THR 82 HB THR 82 -1.537 -11.033 -1.781 647 HG1 THR 82 HG1 THR 82 0.166 -9.992 -2.707 648 1HG2 THR 82 HG21 THR 82 -2.960 -9.231 -1.525 649 2HG2 THR 82 HG22 THR 82 -1.565 -8.353 -2.157 650 3HG2 THR 82 HG23 THR 82 -1.880 -8.382 -0.419 651 H ALA 83 HN ALA 83 1.429 -11.629 0.028 652 HA ALA 83 HA ALA 83 0.732 -14.383 -0.370 653 1HB ALA 83 HB1 ALA 83 2.909 -13.727 -1.079 654 2HB ALA 83 HB2 ALA 83 3.184 -14.744 0.336 655 3HB ALA 83 HB3 ALA 83 3.278 -12.987 0.480 656 H CYS 84 HN CYS 84 1.482 -12.447 2.493 657 HA CYS 84 HA CYS 84 1.501 -14.721 4.308 658 1HB CYS 84 HB2 CYS 84 0.992 -11.812 4.980 659 2HB CYS 84 HB1 CYS 84 1.576 -13.070 6.069 660 HG CYS 84 HG CYS 84 3.277 -11.551 4.021 661 H HIS 85 HN HIS 85 -0.960 -12.758 2.864 662 HA HIS 85 HA HIS 85 -3.002 -13.534 4.859 663 1HB HIS 85 HB2 HIS 85 -3.352 -11.338 4.102 664 2HB HIS 85 HB1 HIS 85 -2.934 -11.738 2.441 665 HD1 HIS 85 HD1 HIS 85 -4.925 -11.729 0.975 666 HD2 HIS 85 HD2 HIS 85 -5.892 -13.006 4.820 667 HE1 HIS 85 HE1 HIS 85 -7.401 -12.244 0.952 668 H GLU 86 HN GLU 86 -2.105 -14.264 1.494 669 HA GLU 86 HA GLU 86 -4.400 -15.992 1.064 670 1HB GLU 86 HB2 GLU 86 -3.314 -14.987 -0.860 671 2HB GLU 86 HB1 GLU 86 -1.768 -15.712 -0.419 672 1HG GLU 86 HG2 GLU 86 -2.560 -17.917 -0.890 673 2HG GLU 86 HG1 GLU 86 -4.232 -17.366 -0.999 674 H PHE 87 HN PHE 87 -1.071 -16.448 2.133 675 HA PHE 87 HA PHE 87 -0.979 -19.291 2.010 676 1HB PHE 87 HB2 PHE 87 1.031 -17.978 2.428 677 2HB PHE 87 HB1 PHE 87 0.357 -17.375 3.943 678 HD1 PHE 87 HD1 PHE 87 1.225 -20.565 2.182 679 HD2 PHE 87 HD2 PHE 87 0.758 -18.547 5.946 680 HE1 PHE 87 HE1 PHE 87 2.129 -22.552 3.360 681 HE2 PHE 87 HE2 PHE 87 1.664 -20.534 7.123 682 HZ PHE 87 HZ PHE 87 2.349 -22.535 5.830 683 H PHE 88 HN PHE 88 -1.887 -17.146 4.719 684 HA PHE 88 HA PHE 88 -2.664 -19.328 6.441 685 1HB PHE 88 HB2 PHE 88 -2.030 -17.161 7.373 686 2HB PHE 88 HB1 PHE 88 -3.363 -16.380 6.522 687 HD1 PHE 88 HD1 PHE 88 -2.591 -19.002 9.068 688 HD2 PHE 88 HD2 PHE 88 -5.527 -16.300 7.477 689 HE1 PHE 88 HE1 PHE 88 -4.104 -19.535 10.955 690 HE2 PHE 88 HE2 PHE 88 -7.043 -16.835 9.368 691 HZ PHE 88 HZ PHE 88 -6.329 -18.454 11.107 692 H GLU 89 HN GLU 89 -4.396 -17.284 4.123 693 HA GLU 89 HA GLU 89 -6.962 -18.639 4.818 694 1HB GLU 89 HB2 GLU 89 -6.309 -16.287 3.022 695 2HB GLU 89 HB1 GLU 89 -7.925 -16.972 3.193 696 1HG GLU 89 HG2 GLU 89 -7.681 -16.599 5.705 697 2HG GLU 89 HG1 GLU 89 -6.244 -15.646 5.331 698 H HIS 90 HN HIS 90 -4.828 -20.140 3.508 699 HA HIS 90 HA HIS 90 -5.383 -20.328 0.681 700 1HB HIS 90 HB2 HIS 90 -4.169 -22.508 0.853 701 2HB HIS 90 HB1 HIS 90 -3.279 -21.178 1.595 702 HD1 HIS 90 HD1 HIS 90 -3.817 -20.923 4.317 703 HD2 HIS 90 HD2 HIS 90 -4.478 -24.653 2.569 704 HE1 HIS 90 HE1 HIS 90 -3.900 -22.603 6.215 705 HE2 HIS 90 HE2 HIS 90 -4.298 -24.873 5.160 706 H GLU 91 HN GLU 91 -7.557 -20.667 0.232 707 HA GLU 91 HA GLU 91 -9.254 -22.435 1.752 708 1HB GLU 91 HB2 GLU 91 -10.017 -20.533 0.250 709 2HB GLU 91 HB1 GLU 91 -9.658 -21.579 -1.125 710 1HG GLU 91 HG2 GLU 91 -11.984 -21.882 -0.662 711 2HG GLU 91 HG1 GLU 91 -11.172 -23.316 -0.032 712 1H MET 0 HT1 MET 0 11.818 0.722 14.447 713 2H MET 0 HT2 MET 0 10.209 0.237 14.209 714 3H MET 0 HT3 MET 0 11.088 0.933 12.931 715 HA MET 0 HA MET 0 12.088 -0.975 12.385 716 1HB MET 0 HB2 MET 0 13.483 -0.907 14.407 717 2HB MET 0 HB1 MET 0 12.158 -1.586 15.356 718 1HG MET 0 HG2 MET 0 12.243 -3.660 14.140 719 2HG MET 0 HG1 MET 0 13.363 -2.984 12.955 720 1HE MET 0 HE1 MET 0 15.192 -5.739 15.184 721 2HE MET 0 HE2 MET 0 14.846 -5.281 13.519 722 3HE MET 0 HE3 MET 0 13.519 -5.629 14.624 723 H SER 1 HN SER 1 10.551 -2.099 11.307 724 HA SER 1 HA SER 1 9.006 -3.820 10.954 725 1HB SER 1 HB2 SER 1 9.865 -4.604 13.328 726 2HB SER 1 HB1 SER 1 8.299 -3.996 13.867 727 HG SER 1 HG SER 1 8.514 -6.288 13.085 728 H GLU 2 HN GLU 2 8.660 -0.807 12.056 729 HA GLU 2 HA GLU 2 5.939 -0.472 12.775 730 1HB GLU 2 HB2 GLU 2 7.813 1.258 11.144 731 2HB GLU 2 HB1 GLU 2 6.165 1.767 11.513 732 1HG GLU 2 HG2 GLU 2 8.019 0.849 13.714 733 2HG GLU 2 HG1 GLU 2 8.079 2.508 13.121 734 H LEU 3 HN LEU 3 7.489 -1.176 9.750 735 HA LEU 3 HA LEU 3 5.144 -0.781 8.094 736 1HB LEU 3 HB2 LEU 3 7.378 -0.572 7.145 737 2HB LEU 3 HB1 LEU 3 7.796 -2.198 7.676 738 HG LEU 3 HG LEU 3 6.243 -3.177 6.133 739 1HD1 LEU 3 HD11 LEU 3 4.350 -1.766 6.131 740 2HD1 LEU 3 HD12 LEU 3 5.025 -1.525 4.527 741 3HD1 LEU 3 HD13 LEU 3 5.307 -0.328 5.785 742 1HD2 LEU 3 HD21 LEU 3 7.448 -2.771 4.186 743 2HD2 LEU 3 HD22 LEU 3 8.536 -2.016 5.348 744 3HD2 LEU 3 HD23 LEU 3 7.431 -1.022 4.403 745 H GLU 4 HN GLU 4 6.481 -3.315 10.073 746 HA GLU 4 HA GLU 4 4.994 -5.523 8.929 747 1HB GLU 4 HB2 GLU 4 7.056 -5.675 10.461 748 2HB GLU 4 HB1 GLU 4 5.954 -5.314 11.790 749 1HG GLU 4 HG2 GLU 4 6.036 -7.687 11.710 750 2HG GLU 4 HG1 GLU 4 4.522 -7.266 10.910 751 H LYS 5 HN LYS 5 4.504 -3.158 11.468 752 HA LYS 5 HA LYS 5 2.049 -4.252 12.508 753 1HB LYS 5 HB2 LYS 5 3.459 -1.608 12.627 754 2HB LYS 5 HB1 LYS 5 1.734 -1.572 12.980 755 1HG LYS 5 HG2 LYS 5 2.751 -1.901 15.073 756 2HG LYS 5 HG1 LYS 5 2.195 -3.497 14.612 757 1HD LYS 5 HD2 LYS 5 4.353 -4.096 15.169 758 2HD LYS 5 HD1 LYS 5 4.680 -3.588 13.515 759 1HE LYS 5 HE2 LYS 5 6.282 -2.318 14.600 760 2HE LYS 5 HE1 LYS 5 4.935 -1.191 14.732 761 1HZ LYS 5 HZ1 LYS 5 4.617 -1.675 16.923 762 2HZ LYS 5 HZ2 LYS 5 6.298 -1.898 16.822 763 3HZ LYS 5 HZ3 LYS 5 5.257 -3.242 16.802 764 H ALA 6 HN ALA 6 2.749 -1.953 9.943 765 HA ALA 6 HA ALA 6 0.067 -1.240 9.354 766 1HB ALA 6 HB1 ALA 6 1.904 0.071 8.478 767 2HB ALA 6 HB2 ALA 6 0.979 -0.567 7.121 768 3HB ALA 6 HB3 ALA 6 2.506 -1.318 7.574 769 H MET 7 HN MET 7 2.116 -3.591 7.596 770 HA MET 7 HA MET 7 0.037 -4.500 5.916 771 1HB MET 7 HB2 MET 7 1.371 -6.727 5.904 772 2HB MET 7 HB1 MET 7 2.143 -5.280 5.282 773 1HG MET 7 HG2 MET 7 2.843 -5.227 7.982 774 2HG MET 7 HG1 MET 7 2.905 -6.939 7.591 775 1HE MET 7 HE1 MET 7 4.000 -6.673 4.215 776 2HE MET 7 HE2 MET 7 3.724 -7.799 5.541 777 3HE MET 7 HE3 MET 7 5.369 -7.474 5.000 778 H VAL 8 HN VAL 8 0.800 -5.342 9.251 779 HA VAL 8 HA VAL 8 -1.084 -7.546 9.405 780 HB VAL 8 HB VAL 8 0.372 -5.809 11.401 781 1HG1 VAL 8 HG11 VAL 8 -1.918 -7.696 11.981 782 2HG1 VAL 8 HG12 VAL 8 -1.679 -6.048 12.565 783 3HG1 VAL 8 HG13 VAL 8 -0.670 -7.359 13.182 784 1HG2 VAL 8 HG21 VAL 8 0.276 -8.823 11.091 785 2HG2 VAL 8 HG22 VAL 8 1.460 -7.874 11.989 786 3HG2 VAL 8 HG23 VAL 8 1.424 -7.800 10.228 787 H ALA 9 HN ALA 9 -1.220 -4.218 10.596 788 HA ALA 9 HA ALA 9 -3.942 -4.182 11.395 789 1HB ALA 9 HB1 ALA 9 -2.556 -1.802 10.143 790 2HB ALA 9 HB2 ALA 9 -2.172 -2.370 11.768 791 3HB ALA 9 HB3 ALA 9 -3.799 -1.804 11.395 792 H LEU 10 HN LEU 10 -2.523 -3.887 8.198 793 HA LEU 10 HA LEU 10 -4.969 -2.990 6.899 794 1HB LEU 10 HB2 LEU 10 -2.232 -3.855 6.063 795 2HB LEU 10 HB1 LEU 10 -3.495 -3.960 4.843 796 HG LEU 10 HG LEU 10 -3.440 -1.381 6.369 797 1HD1 LEU 10 HD11 LEU 10 -1.567 -0.508 4.939 798 2HD1 LEU 10 HD12 LEU 10 -1.200 -2.174 4.507 799 3HD1 LEU 10 HD13 LEU 10 -1.057 -1.654 6.178 800 1HD2 LEU 10 HD21 LEU 10 -3.753 -0.482 4.059 801 2HD2 LEU 10 HD22 LEU 10 -4.951 -1.710 4.466 802 3HD2 LEU 10 HD23 LEU 10 -3.589 -2.118 3.422 803 H ILE 11 HN ILE 11 -3.326 -6.155 7.149 804 HA ILE 11 HA ILE 11 -4.918 -7.727 5.520 805 HB ILE 11 HB ILE 11 -3.692 -8.291 8.228 806 1HG1 ILE 11 HG12 ILE 11 -3.092 -9.456 5.496 807 2HG1 ILE 11 HG11 ILE 11 -2.308 -8.008 6.113 808 1HG2 ILE 11 HG21 ILE 11 -5.369 -10.134 6.510 809 2HG2 ILE 11 HG22 ILE 11 -5.520 -9.819 8.239 810 3HG2 ILE 11 HG23 ILE 11 -4.160 -10.758 7.632 811 1HD1 ILE 11 HD11 ILE 11 -2.124 -10.831 7.158 812 2HD1 ILE 11 HD12 ILE 11 -1.713 -9.461 8.187 813 3HD1 ILE 11 HD13 ILE 11 -0.813 -9.748 6.702 814 H ASP 12 HN ASP 12 -5.712 -6.405 8.700 815 HA ASP 12 HA ASP 12 -8.198 -7.872 8.950 816 1HB ASP 12 HB2 ASP 12 -6.872 -6.798 10.854 817 2HB ASP 12 HB1 ASP 12 -7.537 -5.255 10.312 818 H VAL 13 HN VAL 13 -7.486 -4.455 8.123 819 HA VAL 13 HA VAL 13 -10.255 -3.959 7.398 820 HB VAL 13 HB VAL 13 -7.904 -2.281 6.485 821 1HG1 VAL 13 HG11 VAL 13 -10.265 -1.807 5.699 822 2HG1 VAL 13 HG12 VAL 13 -9.501 -0.478 6.576 823 3HG1 VAL 13 HG13 VAL 13 -10.692 -1.503 7.384 824 1HG2 VAL 13 HG21 VAL 13 -9.175 -2.509 9.222 825 2HG2 VAL 13 HG22 VAL 13 -8.331 -1.050 8.703 826 3HG2 VAL 13 HG23 VAL 13 -7.462 -2.580 8.810 827 H PHE 14 HN PHE 14 -7.419 -5.149 5.738 828 HA PHE 14 HA PHE 14 -8.451 -4.635 3.070 829 1HB PHE 14 HB2 PHE 14 -6.109 -4.984 3.176 830 2HB PHE 14 HB1 PHE 14 -6.287 -6.438 4.153 831 HD1 PHE 14 HD1 PHE 14 -5.624 -8.345 2.956 832 HD2 PHE 14 HD2 PHE 14 -7.822 -5.262 0.920 833 HE1 PHE 14 HE1 PHE 14 -5.673 -9.731 0.902 834 HE2 PHE 14 HE2 PHE 14 -7.869 -6.650 -1.132 835 HZ PHE 14 HZ PHE 14 -6.797 -8.885 -1.139 836 H HIS 15 HN HIS 15 -8.304 -7.617 5.048 837 HA HIS 15 HA HIS 15 -9.872 -9.128 3.158 838 1HB HIS 15 HB2 HIS 15 -8.257 -9.984 5.006 839 2HB HIS 15 HB1 HIS 15 -9.638 -9.817 6.088 840 HD1 HIS 15 HD1 HIS 15 -10.964 -11.914 6.278 841 HD2 HIS 15 HD2 HIS 15 -9.178 -11.581 2.524 842 HE1 HIS 15 HE1 HIS 15 -11.609 -13.999 4.984 843 H GLN 16 HN GLN 16 -10.724 -7.185 6.012 844 HA GLN 16 HA GLN 16 -13.385 -8.181 6.281 845 1HB GLN 16 HB2 GLN 16 -12.379 -7.019 8.091 846 2HB GLN 16 HB1 GLN 16 -11.954 -5.647 7.074 847 1HG GLN 16 HG2 GLN 16 -13.887 -5.243 8.567 848 2HG GLN 16 HG1 GLN 16 -14.267 -5.002 6.872 849 1HE2 GLN 16 HE21 GLN 16 -14.932 -6.998 9.691 850 2HE2 GLN 16 HE22 GLN 16 -16.138 -7.953 8.969 851 H TYR 17 HN TYR 17 -12.029 -5.418 4.478 852 HA TYR 17 HA TYR 17 -14.708 -4.758 3.407 853 1HB TYR 17 HB2 TYR 17 -11.959 -3.528 3.153 854 2HB TYR 17 HB1 TYR 17 -13.281 -3.029 2.098 855 HD1 TYR 17 HD1 TYR 17 -15.044 -1.623 2.894 856 HD2 TYR 17 HD2 TYR 17 -12.235 -3.333 5.655 857 HE1 TYR 17 HE1 TYR 17 -15.957 -0.198 4.705 858 HE2 TYR 17 HE2 TYR 17 -13.148 -1.904 7.467 859 HH TYR 17 HH TYR 17 -14.505 0.560 7.355 860 H SER 18 HN SER 18 -11.518 -5.598 1.984 861 HA SER 18 HA SER 18 -12.489 -6.080 -0.632 862 1HB SER 18 HB2 SER 18 -10.421 -7.098 -1.061 863 2HB SER 18 HB1 SER 18 -10.040 -6.062 0.313 864 HG SER 18 HG SER 18 -9.655 -7.787 1.444 865 H GLY 19 HN GLY 19 -12.605 -8.052 2.276 866 1HA GLY 19 HA2 GLY 19 -13.601 -10.405 0.777 867 2HA GLY 19 HA1 GLY 19 -13.284 -10.347 2.507 868 H ARG 20 HN ARG 20 -14.996 -7.567 1.780 869 HA ARG 20 HA ARG 20 -17.399 -8.563 3.045 870 1HB ARG 20 HB2 ARG 20 -16.620 -6.184 3.189 871 2HB ARG 20 HB1 ARG 20 -16.991 -5.996 1.475 872 1HG ARG 20 HG2 ARG 20 -19.372 -6.721 2.029 873 2HG ARG 20 HG1 ARG 20 -18.932 -6.573 3.728 874 1HD ARG 20 HD2 ARG 20 -18.174 -4.193 3.177 875 2HD ARG 20 HD1 ARG 20 -18.998 -4.395 1.627 876 HE ARG 20 HE ARG 20 -21.046 -4.141 2.767 877 1HH1 ARG 20 HH21 ARG 20 -18.484 -5.008 4.907 878 2HH1 ARG 20 HH22 ARG 20 -19.443 -4.837 6.339 879 1HH2 ARG 20 HH11 ARG 20 -22.313 -3.911 4.624 880 2HH2 ARG 20 HH12 ARG 20 -21.613 -4.215 6.179 881 H GLU 21 HN GLU 21 -16.564 -7.606 -0.286 882 HA GLU 21 HA GLU 21 -18.817 -9.320 -1.266 883 1HB GLU 21 HB2 GLU 21 -18.159 -6.656 -2.522 884 2HB GLU 21 HB1 GLU 21 -19.615 -7.634 -2.719 885 1HG GLU 21 HG2 GLU 21 -19.977 -7.254 -0.186 886 2HG GLU 21 HG1 GLU 21 -18.770 -5.976 -0.343 887 H GLY 22 HN GLY 22 -18.569 -9.662 -3.712 888 1HA GLY 22 HA2 GLY 22 -17.209 -10.024 -5.638 889 2HA GLY 22 HA1 GLY 22 -15.803 -9.468 -4.730 890 H ASP 23 HN ASP 23 -14.942 -11.530 -5.848 891 HA ASP 23 HA ASP 23 -15.719 -14.142 -5.224 892 1HB ASP 23 HB2 ASP 23 -13.851 -13.647 -6.741 893 2HB ASP 23 HB1 ASP 23 -12.894 -13.040 -5.390 894 H LYS 24 HN LYS 24 -13.185 -12.356 -3.443 895 HA LYS 24 HA LYS 24 -14.280 -12.782 -0.865 896 1HB LYS 24 HB2 LYS 24 -13.229 -15.177 -1.923 897 2HB LYS 24 HB1 LYS 24 -11.953 -14.597 -0.869 898 1HG LYS 24 HG2 LYS 24 -14.850 -14.877 -0.009 899 2HG LYS 24 HG1 LYS 24 -13.614 -16.102 0.269 900 1HD LYS 24 HD2 LYS 24 -12.307 -14.558 1.617 901 2HD LYS 24 HD1 LYS 24 -13.412 -13.237 1.244 902 1HE LYS 24 HE2 LYS 24 -13.741 -14.413 3.507 903 2HE LYS 24 HE1 LYS 24 -15.174 -14.201 2.501 904 1HZ LYS 24 HZ1 LYS 24 -14.812 -16.465 1.647 905 2HZ LYS 24 HZ2 LYS 24 -15.103 -16.436 3.321 906 3HZ LYS 24 HZ3 LYS 24 -13.524 -16.658 2.735 907 H HIS 25 HN HIS 25 -12.021 -11.617 -3.010 908 HA HIS 25 HA HIS 25 -10.713 -10.054 -0.878 909 1HB HIS 25 HB2 HIS 25 -8.892 -11.465 -2.824 910 2HB HIS 25 HB1 HIS 25 -8.499 -10.736 -1.269 911 HD2 HIS 25 HD2 HIS 25 -9.269 -14.188 -2.682 912 HE1 HIS 25 HE1 HIS 25 -9.867 -14.491 1.487 913 HE2 HIS 25 HE2 HIS 25 -9.620 -15.806 -0.667 914 H LYS 26 HN LYS 26 -12.444 -8.998 -2.754 915 HA LYS 26 HA LYS 26 -10.572 -7.430 -4.479 916 1HB LYS 26 HB2 LYS 26 -13.227 -8.679 -5.237 917 2HB LYS 26 HB1 LYS 26 -12.507 -7.354 -6.154 918 1HG LYS 26 HG2 LYS 26 -10.865 -9.800 -5.535 919 2HG LYS 26 HG1 LYS 26 -12.023 -9.848 -6.860 920 1HD LYS 26 HD2 LYS 26 -10.826 -8.349 -8.161 921 2HD LYS 26 HD1 LYS 26 -10.183 -7.481 -6.771 922 1HE LYS 26 HE2 LYS 26 -8.372 -8.693 -7.861 923 2HE LYS 26 HE1 LYS 26 -8.692 -9.436 -6.294 924 1HZ LYS 26 HZ1 LYS 26 -8.902 -11.325 -7.420 925 2HZ LYS 26 HZ2 LYS 26 -8.974 -10.532 -8.922 926 3HZ LYS 26 HZ3 LYS 26 -10.381 -10.724 -7.992 927 H LEU 27 HN LEU 27 -11.122 -5.246 -4.624 928 HA LEU 27 HA LEU 27 -13.017 -4.343 -2.528 929 1HB LEU 27 HB2 LEU 27 -10.504 -3.471 -3.229 930 2HB LEU 27 HB1 LEU 27 -11.507 -2.294 -4.063 931 HG LEU 27 HG LEU 27 -12.737 -2.322 -1.595 932 1HD1 LEU 27 HD11 LEU 27 -11.132 -3.852 -0.596 933 2HD1 LEU 27 HD12 LEU 27 -10.939 -2.248 0.111 934 3HD1 LEU 27 HD13 LEU 27 -9.797 -2.818 -1.102 935 1HD2 LEU 27 HD21 LEU 27 -11.244 -0.294 -1.105 936 2HD2 LEU 27 HD22 LEU 27 -12.166 -0.263 -2.605 937 3HD2 LEU 27 HD23 LEU 27 -10.453 -0.662 -2.636 938 H LYS 28 HN LYS 28 -15.001 -3.617 -2.992 939 HA LYS 28 HA LYS 28 -15.669 -2.814 -5.809 940 1HB LYS 28 HB2 LYS 28 -17.299 -4.047 -3.584 941 2HB LYS 28 HB1 LYS 28 -18.075 -3.225 -4.938 942 1HG LYS 28 HG2 LYS 28 -16.731 -4.749 -6.478 943 2HG LYS 28 HG1 LYS 28 -16.295 -5.670 -5.036 944 1HD LYS 28 HD2 LYS 28 -18.813 -5.763 -4.544 945 2HD LYS 28 HD1 LYS 28 -19.039 -5.222 -6.204 946 1HE LYS 28 HE2 LYS 28 -17.706 -7.759 -5.253 947 2HE LYS 28 HE1 LYS 28 -19.139 -7.612 -6.266 948 1HZ LYS 28 HZ1 LYS 28 -17.121 -8.157 -7.530 949 2HZ LYS 28 HZ2 LYS 28 -16.424 -6.689 -7.034 950 3HZ LYS 28 HZ3 LYS 28 -17.810 -6.685 -8.018 951 H LYS 29 HN LYS 29 -17.133 -0.937 -6.012 952 HA LYS 29 HA LYS 29 -16.398 1.324 -4.544 953 1HB LYS 29 HB2 LYS 29 -19.001 0.678 -5.947 954 2HB LYS 29 HB1 LYS 29 -18.664 2.265 -5.258 955 1HG LYS 29 HG2 LYS 29 -16.490 2.210 -6.658 956 2HG LYS 29 HG1 LYS 29 -17.234 0.867 -7.524 957 1HD LYS 29 HD2 LYS 29 -18.358 3.665 -7.227 958 2HD LYS 29 HD1 LYS 29 -17.711 2.947 -8.701 959 1HE LYS 29 HE2 LYS 29 -19.497 1.123 -8.402 960 2HE LYS 29 HE1 LYS 29 -20.233 2.201 -7.217 961 1HZ LYS 29 HZ1 LYS 29 -19.957 2.538 -10.115 962 2HZ LYS 29 HZ2 LYS 29 -19.945 3.927 -9.134 963 3HZ LYS 29 HZ3 LYS 29 -21.280 2.877 -9.106 964 H SER 30 HN SER 30 -19.130 -0.889 -3.873 965 HA SER 30 HA SER 30 -20.281 0.462 -1.695 966 1HB SER 30 HB2 SER 30 -19.890 -2.499 -2.195 967 2HB SER 30 HB1 SER 30 -20.805 -1.887 -0.821 968 HG SER 30 HG SER 30 -21.320 -1.035 -3.468 969 H GLU 31 HN GLU 31 -17.195 -0.941 -1.992 970 HA GLU 31 HA GLU 31 -16.751 -0.967 0.970 971 1HB GLU 31 HB2 GLU 31 -14.996 -1.988 -1.273 972 2HB GLU 31 HB1 GLU 31 -14.674 -2.159 0.448 973 1HG GLU 31 HG2 GLU 31 -16.640 -3.529 0.750 974 2HG GLU 31 HG1 GLU 31 -17.163 -3.222 -0.908 975 H LEU 32 HN LEU 32 -15.568 0.493 -2.039 976 HA LEU 32 HA LEU 32 -13.520 2.003 -0.710 977 1HB LEU 32 HB2 LEU 32 -14.168 1.515 -3.354 978 2HB LEU 32 HB1 LEU 32 -14.636 3.204 -3.190 979 HG LEU 32 HG LEU 32 -11.923 2.112 -2.368 980 1HD1 LEU 32 HD11 LEU 32 -11.034 2.958 -4.414 981 2HD1 LEU 32 HD12 LEU 32 -12.548 3.761 -4.825 982 3HD1 LEU 32 HD13 LEU 32 -12.445 2.001 -4.861 983 1HD2 LEU 32 HD21 LEU 32 -12.699 4.180 -1.229 984 2HD2 LEU 32 HD22 LEU 32 -12.924 4.938 -2.804 985 3HD2 LEU 32 HD23 LEU 32 -11.309 4.477 -2.270 986 H LYS 33 HN LYS 33 -16.855 2.796 -1.654 987 HA LYS 33 HA LYS 33 -16.739 5.474 -0.557 988 1HB LYS 33 HB2 LYS 33 -18.334 4.672 -2.313 989 2HB LYS 33 HB1 LYS 33 -19.099 3.650 -1.100 990 1HG LYS 33 HG2 LYS 33 -19.381 5.879 0.252 991 2HG LYS 33 HG1 LYS 33 -19.093 6.659 -1.303 992 1HD LYS 33 HD2 LYS 33 -21.400 6.428 -1.415 993 2HD LYS 33 HD1 LYS 33 -20.907 4.903 -2.151 994 1HE LYS 33 HE2 LYS 33 -22.654 4.526 -0.453 995 2HE LYS 33 HE1 LYS 33 -21.137 3.778 0.042 996 1HZ LYS 33 HZ1 LYS 33 -22.616 5.551 1.499 997 2HZ LYS 33 HZ2 LYS 33 -21.333 6.492 0.905 998 3HZ LYS 33 HZ3 LYS 33 -21.012 5.092 1.812 999 H GLU 34 HN GLU 34 -17.688 2.292 0.610 1000 HA GLU 34 HA GLU 34 -18.662 3.327 3.177 1001 1HB GLU 34 HB2 GLU 34 -19.539 1.221 2.138 1002 2HB GLU 34 HB1 GLU 34 -17.979 0.462 2.466 1003 1HG GLU 34 HG2 GLU 34 -18.289 1.018 4.896 1004 2HG GLU 34 HG1 GLU 34 -19.908 1.600 4.510 1005 H LEU 35 HN LEU 35 -15.660 1.948 1.963 1006 HA LEU 35 HA LEU 35 -14.467 1.614 4.577 1007 1HB LEU 35 HB2 LEU 35 -13.558 0.384 2.669 1008 2HB LEU 35 HB1 LEU 35 -13.219 1.896 1.824 1009 HG LEU 35 HG LEU 35 -11.561 2.534 3.467 1010 1HD1 LEU 35 HD11 LEU 35 -10.982 0.736 5.253 1011 2HD1 LEU 35 HD12 LEU 35 -12.609 0.128 4.955 1012 3HD1 LEU 35 HD13 LEU 35 -12.374 1.774 5.545 1013 1HD2 LEU 35 HD21 LEU 35 -9.913 0.789 3.091 1014 2HD2 LEU 35 HD22 LEU 35 -10.904 0.961 1.643 1015 3HD2 LEU 35 HD23 LEU 35 -11.183 -0.386 2.747 1016 H ILE 36 HN ILE 36 -14.637 4.190 2.200 1017 HA ILE 36 HA ILE 36 -12.713 5.906 3.478 1018 HB ILE 36 HB ILE 36 -14.917 6.380 1.460 1019 1HG1 ILE 36 HG12 ILE 36 -11.919 6.698 1.216 1020 2HG1 ILE 36 HG11 ILE 36 -12.744 5.176 0.880 1021 1HG2 ILE 36 HG21 ILE 36 -13.792 8.661 1.169 1022 2HG2 ILE 36 HG22 ILE 36 -13.045 8.382 2.743 1023 3HG2 ILE 36 HG23 ILE 36 -14.801 8.476 2.606 1024 1HD1 ILE 36 HD11 ILE 36 -14.078 6.238 -0.860 1025 2HD1 ILE 36 HD12 ILE 36 -12.372 6.567 -1.169 1026 3HD1 ILE 36 HD13 ILE 36 -13.393 7.814 -0.461 1027 H ASN 37 HN ASN 37 -16.213 5.511 3.701 1028 HA ASN 37 HA ASN 37 -16.523 7.750 5.558 1029 1HB ASN 37 HB2 ASN 37 -18.344 7.116 4.037 1030 2HB ASN 37 HB1 ASN 37 -18.441 5.529 4.804 1031 1HD2 ASN 37 HD21 ASN 37 -20.732 6.165 5.380 1032 2HD2 ASN 37 HD22 ASN 37 -20.992 7.152 6.736 1033 H ASN 38 HN ASN 38 -15.901 4.318 5.898 1034 HA ASN 38 HA ASN 38 -16.774 4.329 8.728 1035 1HB ASN 38 HB2 ASN 38 -15.539 2.166 7.004 1036 2HB ASN 38 HB1 ASN 38 -16.069 1.934 8.669 1037 1HD2 ASN 38 HD21 ASN 38 -17.798 4.020 6.363 1038 2HD2 ASN 38 HD22 ASN 38 -19.182 3.042 6.257 1039 H GLU 39 HN GLU 39 -13.679 3.929 6.974 1040 HA GLU 39 HA GLU 39 -12.242 4.149 9.607 1041 1HB GLU 39 HB2 GLU 39 -11.190 3.283 6.897 1042 2HB GLU 39 HB1 GLU 39 -10.345 3.168 8.441 1043 1HG GLU 39 HG2 GLU 39 -12.979 1.784 7.856 1044 2HG GLU 39 HG1 GLU 39 -11.405 1.005 7.702 1045 H LEU 40 HN LEU 40 -11.792 5.237 6.221 1046 HA LEU 40 HA LEU 40 -10.099 7.453 7.126 1047 1HB LEU 40 HB2 LEU 40 -11.173 7.337 4.330 1048 2HB LEU 40 HB1 LEU 40 -9.569 7.761 4.888 1049 HG LEU 40 HG LEU 40 -10.703 4.945 4.862 1050 1HD1 LEU 40 HD11 LEU 40 -8.623 6.257 3.097 1051 2HD1 LEU 40 HD12 LEU 40 -10.268 5.858 2.608 1052 3HD1 LEU 40 HD13 LEU 40 -9.138 4.571 3.020 1053 1HD2 LEU 40 HD21 LEU 40 -7.846 5.857 5.298 1054 2HD2 LEU 40 HD22 LEU 40 -8.499 4.231 5.506 1055 3HD2 LEU 40 HD23 LEU 40 -8.944 5.504 6.634 1056 H SER 41 HN SER 41 -12.821 7.432 8.177 1057 HA SER 41 HA SER 41 -14.241 9.560 6.713 1058 1HB SER 41 HB2 SER 41 -16.042 8.726 7.833 1059 2HB SER 41 HB1 SER 41 -14.965 7.517 8.528 1060 HG SER 41 HG SER 41 -15.932 8.641 10.192 1061 H HIS 42 HN HIS 42 -11.931 9.297 9.275 1062 HA HIS 42 HA HIS 42 -12.554 11.993 10.342 1063 1HB HIS 42 HB2 HIS 42 -11.969 10.219 11.938 1064 2HB HIS 42 HB1 HIS 42 -10.431 9.968 11.113 1065 HD1 HIS 42 HD1 HIS 42 -11.813 13.423 11.680 1066 HD2 HIS 42 HD2 HIS 42 -8.878 10.934 13.292 1067 HE1 HIS 42 HE1 HIS 42 -10.427 14.863 13.240 1068 HE2 HIS 42 HE2 HIS 42 -8.637 13.358 14.222 1069 H PHE 43 HN PHE 43 -10.357 10.430 8.135 1070 HA PHE 43 HA PHE 43 -8.659 12.899 8.010 1071 1HB PHE 43 HB2 PHE 43 -8.191 10.011 7.260 1072 2HB PHE 43 HB1 PHE 43 -7.196 11.290 6.564 1073 HD1 PHE 43 HD1 PHE 43 -8.265 9.703 9.754 1074 HD2 PHE 43 HD2 PHE 43 -5.531 12.422 7.857 1075 HE1 PHE 43 HE1 PHE 43 -6.905 9.788 11.830 1076 HE2 PHE 43 HE2 PHE 43 -4.173 12.504 9.930 1077 HZ PHE 43 HZ PHE 43 -4.860 11.188 11.916 1078 H LEU 44 HN LEU 44 -10.227 10.503 5.833 1079 HA LEU 44 HA LEU 44 -10.039 12.450 3.617 1080 1HB LEU 44 HB2 LEU 44 -10.872 9.568 3.825 1081 2HB LEU 44 HB1 LEU 44 -11.298 10.500 2.401 1082 HG LEU 44 HG LEU 44 -9.175 9.212 2.144 1083 1HD1 LEU 44 HD11 LEU 44 -8.145 10.844 0.878 1084 2HD1 LEU 44 HD12 LEU 44 -8.341 12.094 2.102 1085 3HD1 LEU 44 HD13 LEU 44 -9.716 11.606 1.110 1086 1HD2 LEU 44 HD21 LEU 44 -7.334 9.479 3.506 1087 2HD2 LEU 44 HD22 LEU 44 -8.582 9.807 4.691 1088 3HD2 LEU 44 HD23 LEU 44 -7.732 11.143 3.926 1089 H GLU 45 HN GLU 45 -11.765 13.675 2.929 1090 HA GLU 45 HA GLU 45 -14.001 14.135 4.576 1091 1HB GLU 45 HB2 GLU 45 -15.066 15.076 2.413 1092 2HB GLU 45 HB1 GLU 45 -13.558 15.804 2.959 1093 1HG GLU 45 HG2 GLU 45 -13.482 13.485 1.031 1094 2HG GLU 45 HG1 GLU 45 -13.816 15.109 0.434 1095 H GLU 46 HN GLU 46 -15.981 13.165 4.800 1096 HA GLU 46 HA GLU 46 -16.398 10.512 3.777 1097 1HB GLU 46 HB2 GLU 46 -17.424 11.355 5.881 1098 2HB GLU 46 HB1 GLU 46 -18.425 12.454 4.932 1099 1HG GLU 46 HG2 GLU 46 -19.489 10.574 3.798 1100 2HG GLU 46 HG1 GLU 46 -18.427 9.438 4.630 1101 H ILE 47 HN ILE 47 -16.481 10.385 1.521 1102 HA ILE 47 HA ILE 47 -17.806 12.351 -0.112 1103 HB ILE 47 HB ILE 47 -17.361 10.920 -1.958 1104 1HG1 ILE 47 HG12 ILE 47 -17.328 8.676 0.087 1105 2HG1 ILE 47 HG11 ILE 47 -18.431 8.876 -1.271 1106 1HG2 ILE 47 HG21 ILE 47 -15.358 11.764 -0.638 1107 2HG2 ILE 47 HG22 ILE 47 -15.048 10.376 -1.686 1108 3HG2 ILE 47 HG23 ILE 47 -15.240 10.145 0.053 1109 1HD1 ILE 47 HD11 ILE 47 -16.287 8.765 -2.741 1110 2HD1 ILE 47 HD12 ILE 47 -16.924 7.267 -2.064 1111 3HD1 ILE 47 HD13 ILE 47 -15.540 8.054 -1.311 1112 H LYS 48 HN LYS 48 -19.941 12.517 -0.656 1113 HA LYS 48 HA LYS 48 -21.804 10.389 0.338 1114 1HB LYS 48 HB2 LYS 48 -22.122 12.809 1.065 1115 2HB LYS 48 HB1 LYS 48 -22.489 13.184 -0.617 1116 1HG LYS 48 HG2 LYS 48 -24.438 11.825 -0.618 1117 2HG LYS 48 HG1 LYS 48 -23.966 10.997 0.861 1118 1HD LYS 48 HD2 LYS 48 -25.676 12.528 1.500 1119 2HD LYS 48 HD1 LYS 48 -24.169 13.262 2.035 1120 1HE LYS 48 HE2 LYS 48 -25.652 14.900 0.896 1121 2HE LYS 48 HE1 LYS 48 -24.126 14.691 0.039 1122 1HZ LYS 48 HZ1 LYS 48 -26.581 13.176 -0.639 1123 2HZ LYS 48 HZ2 LYS 48 -25.155 13.308 -1.553 1124 3HZ LYS 48 HZ3 LYS 48 -26.178 14.651 -1.373 1125 H GLU 49 HN GLU 49 -20.355 11.728 -2.413 1126 HA GLU 49 HA GLU 49 -22.324 10.401 -4.253 1127 1HB GLU 49 HB2 GLU 49 -20.557 12.834 -4.618 1128 2HB GLU 49 HB1 GLU 49 -21.278 11.981 -5.983 1129 1HG GLU 49 HG2 GLU 49 -22.707 13.858 -5.309 1130 2HG GLU 49 HG1 GLU 49 -23.525 12.327 -4.998 1131 H GLN 50 HN GLN 50 -21.476 8.903 -5.692 1132 HA GLN 50 HA GLN 50 -18.828 7.859 -5.110 1133 1HB GLN 50 HB2 GLN 50 -20.885 7.171 -7.227 1134 2HB GLN 50 HB1 GLN 50 -19.375 6.288 -7.010 1135 1HG GLN 50 HG2 GLN 50 -19.996 5.763 -4.689 1136 2HG GLN 50 HG1 GLN 50 -21.499 6.669 -4.882 1137 1HE2 GLN 50 HE21 GLN 50 -21.181 3.740 -4.335 1138 2HE2 GLN 50 HE22 GLN 50 -21.969 2.947 -5.613 1139 H GLU 51 HN GLU 51 -20.054 10.232 -7.268 1140 HA GLU 51 HA GLU 51 -18.552 10.082 -9.534 1141 1HB GLU 51 HB2 GLU 51 -19.114 12.549 -7.884 1142 2HB GLU 51 HB1 GLU 51 -18.466 12.599 -9.524 1143 1HG GLU 51 HG2 GLU 51 -20.434 11.579 -10.431 1144 2HG GLU 51 HG1 GLU 51 -21.036 11.161 -8.827 1145 H VAL 52 HN VAL 52 -17.299 11.181 -6.395 1146 HA VAL 52 HA VAL 52 -14.676 11.694 -7.583 1147 HB VAL 52 HB VAL 52 -13.983 11.786 -5.105 1148 1HG1 VAL 52 HG11 VAL 52 -16.212 13.604 -6.072 1149 2HG1 VAL 52 HG12 VAL 52 -14.497 13.801 -6.433 1150 3HG1 VAL 52 HG13 VAL 52 -15.076 13.977 -4.776 1151 1HG2 VAL 52 HG21 VAL 52 -15.702 11.815 -3.445 1152 2HG2 VAL 52 HG22 VAL 52 -16.010 10.378 -4.413 1153 3HG2 VAL 52 HG23 VAL 52 -16.977 11.828 -4.663 1154 H VAL 53 HN VAL 53 -16.256 9.099 -5.785 1155 HA VAL 53 HA VAL 53 -13.899 7.526 -5.522 1156 HB VAL 53 HB VAL 53 -16.550 7.272 -4.709 1157 1HG1 VAL 53 HG11 VAL 53 -17.038 6.197 -6.970 1158 2HG1 VAL 53 HG12 VAL 53 -17.456 5.224 -5.564 1159 3HG1 VAL 53 HG13 VAL 53 -15.986 4.875 -6.471 1160 1HG2 VAL 53 HG21 VAL 53 -14.432 5.111 -4.661 1161 2HG2 VAL 53 HG22 VAL 53 -15.814 5.235 -3.574 1162 3HG2 VAL 53 HG23 VAL 53 -14.542 6.456 -3.528 1163 H ASP 54 HN ASP 54 -15.952 8.296 -8.161 1164 HA ASP 54 HA ASP 54 -15.042 6.086 -9.864 1165 1HB ASP 54 HB2 ASP 54 -16.365 8.695 -10.675 1166 2HB ASP 54 HB1 ASP 54 -16.258 7.221 -11.636 1167 H LYS 55 HN LYS 55 -14.250 9.468 -9.251 1168 HA LYS 55 HA LYS 55 -12.305 9.655 -11.405 1169 1HB LYS 55 HB2 LYS 55 -13.286 11.683 -10.522 1170 2HB LYS 55 HB1 LYS 55 -12.720 11.308 -8.897 1171 1HG LYS 55 HG2 LYS 55 -10.586 11.393 -10.982 1172 2HG LYS 55 HG1 LYS 55 -11.366 12.938 -10.658 1173 1HD LYS 55 HD2 LYS 55 -10.664 12.990 -8.425 1174 2HD LYS 55 HD1 LYS 55 -10.439 11.245 -8.345 1175 1HE LYS 55 HE2 LYS 55 -8.440 11.342 -9.646 1176 2HE LYS 55 HE1 LYS 55 -8.744 13.016 -10.115 1177 1HZ LYS 55 HZ1 LYS 55 -8.762 13.060 -7.385 1178 2HZ LYS 55 HZ2 LYS 55 -7.485 13.565 -8.386 1179 3HZ LYS 55 HZ3 LYS 55 -7.501 11.988 -7.757 1180 H VAL 56 HN VAL 56 -11.938 9.281 -7.847 1181 HA VAL 56 HA VAL 56 -9.121 8.939 -7.860 1182 HB VAL 56 HB VAL 56 -10.700 9.170 -5.825 1183 1HG1 VAL 56 HG11 VAL 56 -11.987 7.053 -6.606 1184 2HG1 VAL 56 HG12 VAL 56 -11.666 7.246 -4.887 1185 3HG1 VAL 56 HG13 VAL 56 -10.675 6.155 -5.854 1186 1HG2 VAL 56 HG21 VAL 56 -8.411 7.187 -5.889 1187 2HG2 VAL 56 HG22 VAL 56 -9.143 7.776 -4.398 1188 3HG2 VAL 56 HG23 VAL 56 -8.332 8.902 -5.484 1189 H MET 57 HN MET 57 -11.744 6.593 -8.319 1190 HA MET 57 HA MET 57 -10.072 4.268 -8.502 1191 1HB MET 57 HB2 MET 57 -12.801 4.937 -9.630 1192 2HB MET 57 HB1 MET 57 -12.044 3.363 -9.869 1193 1HG MET 57 HG2 MET 57 -12.193 4.459 -7.074 1194 2HG MET 57 HG1 MET 57 -13.652 3.784 -7.793 1195 1HE MET 57 HE1 MET 57 -13.349 0.156 -7.649 1196 2HE MET 57 HE2 MET 57 -13.717 1.318 -8.921 1197 3HE MET 57 HE3 MET 57 -14.301 1.606 -7.278 1198 H GLU 58 HN GLU 58 -10.957 6.778 -10.798 1199 HA GLU 58 HA GLU 58 -10.099 5.438 -13.183 1200 1HB GLU 58 HB2 GLU 58 -11.456 7.597 -13.037 1201 2HB GLU 58 HB1 GLU 58 -9.934 8.417 -12.680 1202 1HG GLU 58 HG2 GLU 58 -10.256 8.597 -15.051 1203 2HG GLU 58 HG1 GLU 58 -9.008 7.375 -14.811 1204 H THR 59 HN THR 59 -8.388 7.248 -10.707 1205 HA THR 59 HA THR 59 -5.882 7.223 -12.255 1206 HB THR 59 HB THR 59 -6.392 8.085 -9.396 1207 HG1 THR 59 HG1 THR 59 -6.654 10.094 -10.231 1208 1HG2 THR 59 HG21 THR 59 -4.270 9.419 -9.891 1209 2HG2 THR 59 HG22 THR 59 -4.077 8.390 -11.310 1210 3HG2 THR 59 HG23 THR 59 -4.065 7.676 -9.697 1211 H LEU 60 HN LEU 60 -7.308 5.554 -9.466 1212 HA LEU 60 HA LEU 60 -4.808 4.092 -8.960 1213 1HB LEU 60 HB2 LEU 60 -7.539 4.162 -7.739 1214 2HB LEU 60 HB1 LEU 60 -6.568 2.716 -7.466 1215 HG LEU 60 HG LEU 60 -6.294 4.456 -5.699 1216 1HD1 LEU 60 HD11 LEU 60 -4.391 2.803 -6.664 1217 2HD1 LEU 60 HD12 LEU 60 -4.060 3.951 -5.374 1218 3HD1 LEU 60 HD13 LEU 60 -3.601 4.340 -7.027 1219 1HD2 LEU 60 HD21 LEU 60 -5.352 6.571 -6.140 1220 2HD2 LEU 60 HD22 LEU 60 -6.477 6.345 -7.480 1221 3HD2 LEU 60 HD23 LEU 60 -4.752 6.076 -7.721 1222 H ASP 61 HN ASP 61 -8.045 3.164 -10.326 1223 HA ASP 61 HA ASP 61 -7.431 0.447 -10.755 1224 1HB ASP 61 HB2 ASP 61 -9.635 1.692 -11.054 1225 2HB ASP 61 HB1 ASP 61 -9.026 2.173 -12.638 1226 H GLU 62 HN GLU 62 -5.636 -0.215 -11.655 1227 HA GLU 62 HA GLU 62 -4.439 1.232 -13.941 1228 1HB GLU 62 HB2 GLU 62 -2.954 0.408 -12.131 1229 2HB GLU 62 HB1 GLU 62 -3.491 -1.240 -12.453 1230 1HG GLU 62 HG2 GLU 62 -2.295 0.456 -14.649 1231 2HG GLU 62 HG1 GLU 62 -1.265 -0.443 -13.536 1232 H ASP 63 HN ASP 63 -5.731 -1.966 -13.148 1233 HA ASP 63 HA ASP 63 -5.565 -2.857 -15.916 1234 1HB ASP 63 HB2 ASP 63 -7.014 -4.751 -15.068 1235 2HB ASP 63 HB1 ASP 63 -5.502 -4.549 -14.182 1236 H GLY 64 HN GLY 64 -7.431 -0.581 -14.375 1237 1HA GLY 64 HA2 GLY 64 -9.483 0.437 -14.961 1238 2HA GLY 64 HA1 GLY 64 -9.196 -0.215 -16.571 1239 H ASP 65 HN ASP 65 -9.685 -1.949 -13.496 1240 HA ASP 65 HA ASP 65 -11.800 -3.559 -14.871 1241 1HB ASP 65 HB2 ASP 65 -11.556 -5.098 -12.956 1242 2HB ASP 65 HB1 ASP 65 -10.002 -4.796 -13.730 1243 H GLY 66 HN GLY 66 -11.625 -0.843 -12.949 1244 1HA GLY 66 HA2 GLY 66 -13.411 0.348 -11.931 1245 2HA GLY 66 HA1 GLY 66 -14.486 -0.998 -12.332 1246 H GLU 67 HN GLU 67 -11.842 -2.342 -11.001 1247 HA GLU 67 HA GLU 67 -12.880 -2.201 -8.193 1248 1HB GLU 67 HB2 GLU 67 -11.873 -4.617 -9.726 1249 2HB GLU 67 HB1 GLU 67 -12.212 -4.599 -7.995 1250 1HG GLU 67 HG2 GLU 67 -14.546 -4.109 -8.388 1251 2HG GLU 67 HG1 GLU 67 -14.255 -3.886 -10.115 1252 H CYS 68 HN CYS 68 -11.107 -3.023 -6.666 1253 HA CYS 68 HA CYS 68 -8.410 -2.093 -7.632 1254 1HB CYS 68 HB2 CYS 68 -9.367 -1.750 -4.797 1255 2HB CYS 68 HB1 CYS 68 -8.065 -0.909 -5.633 1256 HG CYS 68 HG CYS 68 -11.103 -0.375 -6.119 1257 H ASP 69 HN ASP 69 -7.499 -4.159 -7.932 1258 HA ASP 69 HA ASP 69 -7.749 -6.387 -6.239 1259 1HB ASP 69 HB2 ASP 69 -6.506 -6.239 -8.478 1260 2HB ASP 69 HB1 ASP 69 -5.147 -5.586 -7.565 1261 H PHE 70 HN PHE 70 -5.375 -7.080 -5.028 1262 HA PHE 70 HA PHE 70 -5.376 -5.284 -2.737 1263 1HB PHE 70 HB2 PHE 70 -3.438 -6.963 -2.055 1264 2HB PHE 70 HB1 PHE 70 -5.118 -7.474 -2.035 1265 HD1 PHE 70 HD1 PHE 70 -2.122 -7.361 -4.279 1266 HD2 PHE 70 HD2 PHE 70 -5.793 -9.344 -3.278 1267 HE1 PHE 70 HE1 PHE 70 -1.615 -9.129 -5.939 1268 HE2 PHE 70 HE2 PHE 70 -5.287 -11.118 -4.937 1269 HZ PHE 70 HZ PHE 70 -3.196 -11.008 -6.268 1270 H GLN 71 HN GLN 71 -3.203 -5.793 -5.461 1271 HA GLN 71 HA GLN 71 -0.989 -4.442 -4.221 1272 1HB GLN 71 HB2 GLN 71 -0.088 -4.316 -6.610 1273 2HB GLN 71 HB1 GLN 71 -0.364 -5.919 -5.937 1274 1HG GLN 71 HG2 GLN 71 -1.225 -5.938 -8.173 1275 2HG GLN 71 HG1 GLN 71 -2.622 -5.905 -7.104 1276 1HE2 GLN 71 HE21 GLN 71 -0.511 -3.122 -7.907 1277 2HE2 GLN 71 HE22 GLN 71 -1.726 -2.223 -8.677 1278 H GLU 72 HN GLU 72 -3.612 -3.313 -6.350 1279 HA GLU 72 HA GLU 72 -2.417 -0.599 -6.291 1280 1HB GLU 72 HB2 GLU 72 -3.975 0.003 -7.958 1281 2HB GLU 72 HB1 GLU 72 -3.441 -1.622 -8.378 1282 1HG GLU 72 HG2 GLU 72 -5.576 -2.292 -6.863 1283 2HG GLU 72 HG1 GLU 72 -6.119 -0.692 -7.381 1284 H PHE 73 HN PHE 73 -5.159 -2.411 -4.967 1285 HA PHE 73 HA PHE 73 -6.619 -0.266 -3.892 1286 1HB PHE 73 HB2 PHE 73 -7.497 -2.497 -3.637 1287 2HB PHE 73 HB1 PHE 73 -6.056 -3.019 -2.773 1288 HD1 PHE 73 HD1 PHE 73 -6.695 -3.593 -0.603 1289 HD2 PHE 73 HD2 PHE 73 -8.236 0.027 -2.341 1290 HE1 PHE 73 HE1 PHE 73 -7.784 -3.015 1.543 1291 HE2 PHE 73 HE2 PHE 73 -9.311 0.595 -0.190 1292 HZ PHE 73 HZ PHE 73 -9.099 -0.938 1.742 1293 H MET 74 HN MET 74 -3.807 -1.951 -2.530 1294 HA MET 74 HA MET 74 -3.612 -0.350 -0.182 1295 1HB MET 74 HB2 MET 74 -2.305 -2.503 -0.914 1296 2HB MET 74 HB1 MET 74 -1.197 -1.377 -1.687 1297 1HG MET 74 HG2 MET 74 -0.146 -1.211 0.330 1298 2HG MET 74 HG1 MET 74 -1.546 -0.311 0.902 1299 1HE MET 74 HE1 MET 74 0.730 -3.121 1.563 1300 2HE MET 74 HE2 MET 74 0.015 -3.580 3.106 1301 3HE MET 74 HE3 MET 74 0.375 -1.887 2.780 1302 H ALA 75 HN ALA 75 -2.279 -0.020 -3.438 1303 HA ALA 75 HA ALA 75 -0.803 2.349 -3.076 1304 1HB ALA 75 HB1 ALA 75 -2.538 1.974 -5.519 1305 2HB ALA 75 HB2 ALA 75 -1.087 1.011 -5.249 1306 3HB ALA 75 HB3 ALA 75 -0.971 2.762 -5.405 1307 H PHE 76 HN PHE 76 -4.259 1.971 -2.922 1308 HA PHE 76 HA PHE 76 -4.850 4.805 -3.350 1309 1HB PHE 76 HB2 PHE 76 -6.734 3.338 -3.642 1310 2HB PHE 76 HB1 PHE 76 -6.474 2.591 -2.074 1311 HD1 PHE 76 HD1 PHE 76 -6.762 6.135 -3.311 1312 HD2 PHE 76 HD2 PHE 76 -8.097 3.177 -0.495 1313 HE1 PHE 76 HE1 PHE 76 -8.241 7.810 -2.249 1314 HE2 PHE 76 HE2 PHE 76 -9.582 4.853 0.560 1315 HZ PHE 76 HZ PHE 76 -9.657 7.170 -0.314 1316 H VAL 77 HN VAL 77 -4.576 2.762 -0.461 1317 HA VAL 77 HA VAL 77 -4.927 4.791 1.476 1318 HB VAL 77 HB VAL 77 -2.962 2.484 1.648 1319 1HG1 VAL 77 HG11 VAL 77 -3.180 2.686 3.998 1320 2HG1 VAL 77 HG12 VAL 77 -4.610 3.709 3.861 1321 3HG1 VAL 77 HG13 VAL 77 -3.028 4.344 3.430 1322 1HG2 VAL 77 HG21 VAL 77 -5.844 2.387 2.540 1323 2HG2 VAL 77 HG22 VAL 77 -4.734 1.047 2.274 1324 3HG2 VAL 77 HG23 VAL 77 -5.395 1.927 0.905 1325 H SER 78 HN SER 78 -2.128 3.876 -0.417 1326 HA SER 78 HA SER 78 -0.247 5.584 0.910 1327 1HB SER 78 HB2 SER 78 1.219 5.041 -0.940 1328 2HB SER 78 HB1 SER 78 0.340 3.593 -0.453 1329 HG SER 78 HG SER 78 -0.054 5.263 -2.688 1330 H MET 79 HN MET 79 -2.543 5.992 -1.681 1331 HA MET 79 HA MET 79 -1.425 8.447 -2.715 1332 1HB MET 79 HB2 MET 79 -2.994 6.903 -3.977 1333 2HB MET 79 HB1 MET 79 -4.289 7.491 -2.939 1334 1HG MET 79 HG2 MET 79 -3.267 9.877 -3.762 1335 2HG MET 79 HG1 MET 79 -2.868 8.883 -5.162 1336 1HE MET 79 HE1 MET 79 -5.864 9.618 -7.109 1337 2HE MET 79 HE2 MET 79 -4.275 8.858 -7.039 1338 3HE MET 79 HE3 MET 79 -4.455 10.549 -6.577 1339 H VAL 80 HN VAL 80 -3.777 7.650 -0.223 1340 HA VAL 80 HA VAL 80 -4.403 10.510 0.170 1341 HB VAL 80 HB VAL 80 -6.116 9.870 1.611 1342 1HG1 VAL 80 HG11 VAL 80 -7.204 7.799 0.716 1343 2HG1 VAL 80 HG12 VAL 80 -5.740 7.494 -0.216 1344 3HG1 VAL 80 HG13 VAL 80 -6.694 8.940 -0.532 1345 1HG2 VAL 80 HG21 VAL 80 -4.921 8.682 3.305 1346 2HG2 VAL 80 HG22 VAL 80 -4.496 7.384 2.193 1347 3HG2 VAL 80 HG23 VAL 80 -6.163 7.571 2.730 1348 H THR 81 HN THR 81 -2.469 7.886 1.462 1349 HA THR 81 HA THR 81 -1.734 9.297 3.898 1350 HB THR 81 HB THR 81 -0.113 7.230 2.401 1351 HG1 THR 81 HG1 THR 81 -1.134 5.794 3.919 1352 1HG2 THR 81 HG21 THR 81 0.708 6.778 4.767 1353 2HG2 THR 81 HG22 THR 81 -0.065 8.301 5.212 1354 3HG2 THR 81 HG23 THR 81 1.243 8.289 4.032 1355 H THR 82 HN THR 82 -0.462 9.082 0.551 1356 HA THR 82 HA THR 82 1.926 10.541 1.010 1357 HB THR 82 HB THR 82 1.575 11.112 -1.486 1358 HG1 THR 82 HG1 THR 82 -0.824 10.571 -0.993 1359 1HG2 THR 82 HG21 THR 82 1.913 8.437 -0.183 1360 2HG2 THR 82 HG22 THR 82 2.991 9.305 -1.270 1361 3HG2 THR 82 HG23 THR 82 1.598 8.438 -1.920 1362 H ALA 83 HN ALA 83 -1.403 11.665 0.311 1363 HA ALA 83 HA ALA 83 -0.710 14.427 -0.007 1364 1HB ALA 83 HB1 ALA 83 -2.904 13.558 -0.694 1365 2HB ALA 83 HB2 ALA 83 -3.113 14.840 0.500 1366 3HB ALA 83 HB3 ALA 83 -3.284 13.153 0.979 1367 H CYS 84 HN CYS 84 -1.468 12.413 2.804 1368 HA CYS 84 HA CYS 84 -1.494 14.639 4.677 1369 1HB CYS 84 HB2 CYS 84 -0.997 11.710 5.283 1370 2HB CYS 84 HB1 CYS 84 -1.591 12.944 6.394 1371 HG CYS 84 HG CYS 84 -3.832 13.018 5.078 1372 H HIS 85 HN HIS 85 0.974 12.709 3.200 1373 HA HIS 85 HA HIS 85 3.006 13.427 5.225 1374 1HB HIS 85 HB2 HIS 85 3.348 11.252 4.393 1375 2HB HIS 85 HB1 HIS 85 2.949 11.720 2.745 1376 HD1 HIS 85 HD1 HIS 85 4.956 11.724 1.304 1377 HD2 HIS 85 HD2 HIS 85 5.892 12.917 5.187 1378 HE1 HIS 85 HE1 HIS 85 7.430 12.231 1.318 1379 H GLU 86 HN GLU 86 2.126 14.251 1.879 1380 HA GLU 86 HA GLU 86 4.422 15.990 1.501 1381 1HB GLU 86 HB2 GLU 86 3.342 15.040 -0.453 1382 2HB GLU 86 HB1 GLU 86 1.795 15.753 0.004 1383 1HG GLU 86 HG2 GLU 86 2.587 17.970 -0.405 1384 2HG GLU 86 HG1 GLU 86 4.261 17.425 -0.522 1385 H PHE 87 HN PHE 87 1.088 16.417 2.570 1386 HA PHE 87 HA PHE 87 1.000 19.262 2.511 1387 1HB PHE 87 HB2 PHE 87 -1.016 17.941 2.884 1388 2HB PHE 87 HB1 PHE 87 -0.353 17.298 4.387 1389 HD1 PHE 87 HD1 PHE 87 -1.220 20.532 2.709 1390 HD2 PHE 87 HD2 PHE 87 -0.753 18.421 6.421 1391 HE1 PHE 87 HE1 PHE 87 -2.128 22.486 3.935 1392 HE2 PHE 87 HE2 PHE 87 -1.660 20.378 7.648 1393 HZ PHE 87 HZ PHE 87 -2.347 22.410 6.405 1394 H PHE 88 HN PHE 88 1.888 17.047 5.175 1395 HA PHE 88 HA PHE 88 2.659 19.186 6.957 1396 1HB PHE 88 HB2 PHE 88 2.016 16.998 7.832 1397 2HB PHE 88 HB1 PHE 88 3.351 16.234 6.969 1398 HD1 PHE 88 HD1 PHE 88 2.577 18.803 9.568 1399 HD2 PHE 88 HD2 PHE 88 5.508 16.119 7.934 1400 HE1 PHE 88 HE1 PHE 88 4.084 19.284 11.478 1401 HE2 PHE 88 HE2 PHE 88 7.014 16.599 9.844 1402 HZ PHE 88 HZ PHE 88 6.301 18.180 11.617 1403 H GLU 89 HN GLU 89 4.400 17.200 4.600 1404 HA GLU 89 HA GLU 89 6.966 18.529 5.342 1405 1HB GLU 89 HB2 GLU 89 6.321 16.228 3.479 1406 2HB GLU 89 HB1 GLU 89 7.935 16.907 3.676 1407 1HG GLU 89 HG2 GLU 89 7.678 16.467 6.175 1408 2HG GLU 89 HG1 GLU 89 6.244 15.523 5.768 1409 H HIS 90 HN HIS 90 4.838 20.067 4.058 1410 HA HIS 90 HA HIS 90 5.413 20.334 1.239 1411 1HB HIS 90 HB2 HIS 90 4.206 22.513 1.462 1412 2HB HIS 90 HB1 HIS 90 3.304 21.166 2.157 1413 HD1 HIS 90 HD1 HIS 90 3.849 20.830 4.879 1414 HD2 HIS 90 HD2 HIS 90 4.489 24.611 3.233 1415 HE1 HIS 90 HE1 HIS 90 3.907 22.461 6.821 1416 HE2 HIS 90 HE2 HIS 90 4.299 24.762 5.829 1417 H GLU 91 HN GLU 91 7.587 20.680 0.812 1418 HA GLU 91 HA GLU 91 9.277 22.406 2.386 1419 1HB GLU 91 HB2 GLU 91 10.044 20.547 0.832 1420 2HB GLU 91 HB1 GLU 91 9.691 21.632 -0.513 1421 1HG GLU 91 HG2 GLU 91 12.014 21.925 -0.030 1422 2HG GLU 91 HG1 GLU 91 11.198 23.339 0.638 Start of MODEL 14 1 1H MET 0 HT1 MET 0 -8.159 6.821 9.917 2 2H MET 0 HT2 MET 0 -6.794 6.368 10.822 3 3H MET 0 HT3 MET 0 -7.278 7.996 10.766 4 HA MET 0 HA MET 0 -8.027 7.268 12.835 5 1HB MET 0 HB2 MET 0 -9.748 8.432 11.434 6 2HB MET 0 HB1 MET 0 -10.353 6.852 10.940 7 1HG MET 0 HG2 MET 0 -10.920 6.278 13.216 8 2HG MET 0 HG1 MET 0 -10.123 7.729 13.829 9 1HE MET 0 HE1 MET 0 -13.386 6.988 14.469 10 2HE MET 0 HE2 MET 0 -13.614 8.722 14.687 11 3HE MET 0 HE3 MET 0 -12.095 7.972 15.172 12 H SER 1 HN SER 1 -8.069 5.494 14.137 13 HA SER 1 HA SER 1 -8.468 3.302 14.840 14 1HB SER 1 HB2 SER 1 -10.533 3.703 13.174 15 2HB SER 1 HB1 SER 1 -9.689 2.468 12.248 16 HG SER 1 HG SER 1 -11.287 1.935 14.092 17 H GLU 2 HN GLU 2 -8.497 1.024 13.044 18 HA GLU 2 HA GLU 2 -5.820 0.248 13.029 19 1HB GLU 2 HB2 GLU 2 -8.001 -0.539 11.074 20 2HB GLU 2 HB1 GLU 2 -6.456 -1.376 11.228 21 1HG GLU 2 HG2 GLU 2 -8.368 -0.957 13.540 22 2HG GLU 2 HG1 GLU 2 -8.337 -2.419 12.552 23 H LEU 3 HN LEU 3 -7.427 2.428 10.820 24 HA LEU 3 HA LEU 3 -5.333 2.238 8.783 25 1HB LEU 3 HB2 LEU 3 -7.540 4.293 9.185 26 2HB LEU 3 HB1 LEU 3 -6.497 4.196 7.775 27 HG LEU 3 HG LEU 3 -8.590 3.130 7.229 28 1HD1 LEU 3 HD11 LEU 3 -6.829 0.755 7.767 29 2HD1 LEU 3 HD12 LEU 3 -6.284 2.012 6.655 30 3HD1 LEU 3 HD13 LEU 3 -7.782 1.143 6.335 31 1HD2 LEU 3 HD21 LEU 3 -8.245 1.093 9.417 32 2HD2 LEU 3 HD22 LEU 3 -9.696 1.534 8.534 33 3HD2 LEU 3 HD23 LEU 3 -9.050 2.621 9.759 34 H GLU 4 HN GLU 4 -5.932 4.127 11.669 35 HA GLU 4 HA GLU 4 -4.037 6.233 10.963 36 1HB GLU 4 HB2 GLU 4 -5.776 6.768 12.559 37 2HB GLU 4 HB1 GLU 4 -5.304 5.423 13.598 38 1HG GLU 4 HG2 GLU 4 -3.261 6.475 14.208 39 2HG GLU 4 HG1 GLU 4 -3.383 7.650 12.898 40 H LYS 5 HN LYS 5 -3.920 3.061 12.313 41 HA LYS 5 HA LYS 5 -1.316 3.365 13.590 42 1HB LYS 5 HB2 LYS 5 -3.195 1.093 12.984 43 2HB LYS 5 HB1 LYS 5 -1.524 0.712 13.403 44 1HG LYS 5 HG2 LYS 5 -1.727 1.526 15.570 45 2HG LYS 5 HG1 LYS 5 -3.004 2.661 15.149 46 1HD LYS 5 HD2 LYS 5 -3.696 -0.235 14.836 47 2HD LYS 5 HD1 LYS 5 -3.464 0.322 16.490 48 1HE LYS 5 HE2 LYS 5 -5.207 1.881 14.586 49 2HE LYS 5 HE1 LYS 5 -5.850 0.495 15.461 50 1HZ LYS 5 HZ1 LYS 5 -5.641 3.049 16.405 51 2HZ LYS 5 HZ2 LYS 5 -4.346 2.240 17.150 52 3HZ LYS 5 HZ3 LYS 5 -5.932 1.660 17.336 53 H ALA 6 HN ALA 6 -2.465 1.713 10.621 54 HA ALA 6 HA ALA 6 0.140 1.051 9.677 55 1HB ALA 6 HB1 ALA 6 -2.322 1.559 7.996 56 2HB ALA 6 HB2 ALA 6 -2.017 0.050 8.855 57 3HB ALA 6 HB3 ALA 6 -0.932 0.566 7.564 58 H MET 7 HN MET 7 -2.010 3.710 8.653 59 HA MET 7 HA MET 7 -0.180 4.917 6.882 60 1HB MET 7 HB2 MET 7 -2.300 6.189 8.643 61 2HB MET 7 HB1 MET 7 -1.414 7.071 7.404 62 1HG MET 7 HG2 MET 7 -2.240 5.073 5.849 63 2HG MET 7 HG1 MET 7 -3.488 4.927 7.083 64 1HE MET 7 HE1 MET 7 -5.372 5.357 5.783 65 2HE MET 7 HE2 MET 7 -5.984 6.961 5.385 66 3HE MET 7 HE3 MET 7 -5.686 6.532 7.069 67 H VAL 8 HN VAL 8 -0.443 5.241 10.404 68 HA VAL 8 HA VAL 8 1.621 7.308 10.501 69 HB VAL 8 HB VAL 8 0.365 5.578 12.651 70 1HG1 VAL 8 HG11 VAL 8 1.424 7.356 14.176 71 2HG1 VAL 8 HG12 VAL 8 2.452 7.757 12.801 72 3HG1 VAL 8 HG13 VAL 8 2.510 6.140 13.504 73 1HG2 VAL 8 HG21 VAL 8 -0.992 7.377 11.427 74 2HG2 VAL 8 HG22 VAL 8 0.093 8.553 12.164 75 3HG2 VAL 8 HG23 VAL 8 -0.915 7.526 13.182 76 H ALA 9 HN ALA 9 1.472 3.837 11.234 77 HA ALA 9 HA ALA 9 4.195 3.532 12.013 78 1HB ALA 9 HB1 ALA 9 3.838 1.117 11.204 79 2HB ALA 9 HB2 ALA 9 2.207 1.625 10.764 80 3HB ALA 9 HB3 ALA 9 2.729 1.702 12.446 81 H LEU 10 HN LEU 10 2.665 3.661 8.821 82 HA LEU 10 HA LEU 10 5.104 2.820 7.446 83 1HB LEU 10 HB2 LEU 10 2.351 3.703 6.682 84 2HB LEU 10 HB1 LEU 10 3.604 3.853 5.454 85 HG LEU 10 HG LEU 10 3.536 1.234 6.917 86 1HD1 LEU 10 HD11 LEU 10 1.320 2.137 5.081 87 2HD1 LEU 10 HD12 LEU 10 1.185 1.405 6.680 88 3HD1 LEU 10 HD13 LEU 10 1.722 0.435 5.309 89 1HD2 LEU 10 HD21 LEU 10 3.991 0.387 4.643 90 2HD2 LEU 10 HD22 LEU 10 5.103 1.692 5.059 91 3HD2 LEU 10 HD23 LEU 10 3.737 2.006 3.987 92 H ILE 11 HN ILE 11 3.425 5.966 7.801 93 HA ILE 11 HA ILE 11 5.053 7.585 6.243 94 HB ILE 11 HB ILE 11 3.768 8.111 8.934 95 1HG1 ILE 11 HG12 ILE 11 3.165 9.310 6.224 96 2HG1 ILE 11 HG11 ILE 11 2.467 7.779 6.738 97 1HG2 ILE 11 HG21 ILE 11 5.410 9.984 7.211 98 2HG2 ILE 11 HG22 ILE 11 5.586 9.664 8.937 99 3HG2 ILE 11 HG23 ILE 11 4.195 10.573 8.347 100 1HD1 ILE 11 HD11 ILE 11 0.911 9.572 7.279 101 2HD1 ILE 11 HD12 ILE 11 2.176 10.453 8.134 102 3HD1 ILE 11 HD13 ILE 11 1.576 8.926 8.779 103 H ASP 12 HN ASP 12 5.832 6.088 9.322 104 HA ASP 12 HA ASP 12 8.297 7.594 9.688 105 1HB ASP 12 HB2 ASP 12 7.055 6.478 11.571 106 2HB ASP 12 HB1 ASP 12 7.537 4.920 10.899 107 H VAL 13 HN VAL 13 7.506 4.308 8.558 108 HA VAL 13 HA VAL 13 10.271 3.759 7.817 109 HB VAL 13 HB VAL 13 7.848 2.239 6.804 110 1HG1 VAL 13 HG11 VAL 13 10.113 1.727 5.886 111 2HG1 VAL 13 HG12 VAL 13 9.408 0.371 6.769 112 3HG1 VAL 13 HG13 VAL 13 10.658 1.362 7.523 113 1HG2 VAL 13 HG21 VAL 13 7.744 2.592 9.317 114 2HG2 VAL 13 HG22 VAL 13 9.295 1.764 9.428 115 3HG2 VAL 13 HG23 VAL 13 7.879 0.913 8.817 116 H PHE 14 HN PHE 14 7.470 5.157 6.284 117 HA PHE 14 HA PHE 14 8.436 4.798 3.567 118 1HB PHE 14 HB2 PHE 14 6.134 6.067 4.863 119 2HB PHE 14 HB1 PHE 14 6.729 7.059 3.543 120 HD1 PHE 14 HD1 PHE 14 5.320 6.726 1.694 121 HD2 PHE 14 HD2 PHE 14 6.602 3.341 4.016 122 HE1 PHE 14 HE1 PHE 14 4.236 5.195 0.071 123 HE2 PHE 14 HE2 PHE 14 5.518 1.817 2.392 124 HZ PHE 14 HZ PHE 14 4.339 2.742 0.421 125 H HIS 15 HN HIS 15 8.438 7.655 5.738 126 HA HIS 15 HA HIS 15 10.019 9.177 3.854 127 1HB HIS 15 HB2 HIS 15 8.430 9.898 5.907 128 2HB HIS 15 HB1 HIS 15 9.974 9.959 6.749 129 HD1 HIS 15 HD1 HIS 15 8.481 12.571 6.278 130 HD2 HIS 15 HD2 HIS 15 11.285 11.077 3.578 131 HE1 HIS 15 HE1 HIS 15 9.268 14.540 4.897 132 H GLN 16 HN GLN 16 10.826 7.005 6.499 133 HA GLN 16 HA GLN 16 13.482 7.948 6.937 134 1HB GLN 16 HB2 GLN 16 12.450 6.558 8.591 135 2HB GLN 16 HB1 GLN 16 12.105 5.294 7.410 136 1HG GLN 16 HG2 GLN 16 14.359 4.667 7.237 137 2HG GLN 16 HG1 GLN 16 14.924 6.176 7.945 138 1HE2 GLN 16 HE21 GLN 16 16.137 4.630 9.470 139 2HE2 GLN 16 HE22 GLN 16 15.301 4.044 10.826 140 H TYR 17 HN TYR 17 12.126 5.490 4.746 141 HA TYR 17 HA TYR 17 14.832 4.957 3.636 142 1HB TYR 17 HB2 TYR 17 12.111 3.712 3.217 143 2HB TYR 17 HB1 TYR 17 13.475 3.334 2.165 144 HD1 TYR 17 HD1 TYR 17 15.096 1.744 2.830 145 HD2 TYR 17 HD2 TYR 17 12.441 3.427 5.758 146 HE1 TYR 17 HE1 TYR 17 15.968 0.161 4.530 147 HE2 TYR 17 HE2 TYR 17 13.312 1.845 7.457 148 HH TYR 17 HH TYR 17 15.927 0.437 7.487 149 H SER 18 HN SER 18 11.630 5.830 2.289 150 HA SER 18 HA SER 18 12.565 6.573 -0.257 151 1HB SER 18 HB2 SER 18 10.129 6.549 0.887 152 2HB SER 18 HB1 SER 18 10.437 8.280 0.976 153 HG SER 18 HG SER 18 9.657 8.082 -1.010 154 H GLY 19 HN GLY 19 12.975 8.114 2.814 155 1HA GLY 19 HA2 GLY 19 13.988 10.625 1.559 156 2HA GLY 19 HA1 GLY 19 13.596 10.420 3.263 157 H ARG 20 HN ARG 20 15.226 7.650 2.485 158 HA ARG 20 HA ARG 20 17.539 8.255 3.993 159 1HB ARG 20 HB2 ARG 20 16.868 5.962 3.508 160 2HB ARG 20 HB1 ARG 20 17.139 6.207 1.789 161 1HG ARG 20 HG2 ARG 20 19.590 6.681 2.383 162 2HG ARG 20 HG1 ARG 20 19.205 6.101 4.004 163 1HD ARG 20 HD2 ARG 20 18.384 3.976 3.002 164 2HD ARG 20 HD1 ARG 20 18.880 4.563 1.415 165 HE ARG 20 HE ARG 20 20.658 3.560 3.512 166 1HH1 ARG 20 HH21 ARG 20 20.269 5.554 0.727 167 2HH1 ARG 20 HH22 ARG 20 21.936 5.461 0.264 168 1HH2 ARG 20 HH11 ARG 20 22.833 3.418 2.920 169 2HH2 ARG 20 HH12 ARG 20 23.388 4.248 1.505 170 H GLU 21 HN GLU 21 16.947 8.520 0.518 171 HA GLU 21 HA GLU 21 19.047 10.525 0.281 172 1HB GLU 21 HB2 GLU 21 20.443 9.179 -1.348 173 2HB GLU 21 HB1 GLU 21 20.551 8.666 0.335 174 1HG GLU 21 HG2 GLU 21 18.966 6.862 -0.063 175 2HG GLU 21 HG1 GLU 21 18.705 7.413 -1.718 176 H GLY 22 HN GLY 22 19.475 11.047 -2.114 177 1HA GLY 22 HA2 GLY 22 18.667 11.611 -4.239 178 2HA GLY 22 HA1 GLY 22 17.559 10.253 -4.113 179 H ASP 23 HN ASP 23 15.781 11.386 -4.933 180 HA ASP 23 HA ASP 23 14.886 13.940 -4.310 181 1HB ASP 23 HB2 ASP 23 13.174 11.461 -4.643 182 2HB ASP 23 HB1 ASP 23 12.606 13.124 -4.792 183 H LYS 24 HN LYS 24 12.884 14.419 -2.870 184 HA LYS 24 HA LYS 24 13.676 13.817 -0.154 185 1HB LYS 24 HB2 LYS 24 12.309 15.879 -1.378 186 2HB LYS 24 HB1 LYS 24 10.999 15.044 -0.553 187 1HG LYS 24 HG2 LYS 24 13.574 15.970 0.769 188 2HG LYS 24 HG1 LYS 24 12.031 16.820 0.857 189 1HD LYS 24 HD2 LYS 24 11.038 14.684 1.814 190 2HD LYS 24 HD1 LYS 24 12.687 14.075 1.953 191 1HE LYS 24 HE2 LYS 24 11.669 16.642 3.207 192 2HE LYS 24 HE1 LYS 24 11.918 15.122 4.067 193 1HZ LYS 24 HZ1 LYS 24 13.926 16.907 2.849 194 2HZ LYS 24 HZ2 LYS 24 14.279 15.269 3.129 195 3HZ LYS 24 HZ3 LYS 24 13.873 16.286 4.427 196 H HIS 25 HN HIS 25 11.833 11.980 -2.337 197 HA HIS 25 HA HIS 25 11.029 10.204 -0.211 198 1HB HIS 25 HB2 HIS 25 9.343 12.328 -0.348 199 2HB HIS 25 HB1 HIS 25 8.556 11.281 -1.514 200 HD2 HIS 25 HD2 HIS 25 7.957 8.589 -0.323 201 HE1 HIS 25 HE1 HIS 25 7.757 10.187 3.583 202 HE2 HIS 25 HE2 HIS 25 7.209 8.172 2.141 203 H LYS 26 HN LYS 26 12.356 9.090 -2.079 204 HA LYS 26 HA LYS 26 10.368 7.622 -3.715 205 1HB LYS 26 HB2 LYS 26 12.732 9.170 -4.767 206 2HB LYS 26 HB1 LYS 26 12.250 7.676 -5.569 207 1HG LYS 26 HG2 LYS 26 10.026 8.532 -5.981 208 2HG LYS 26 HG1 LYS 26 10.343 9.964 -5.002 209 1HD LYS 26 HD2 LYS 26 10.523 10.421 -7.448 210 2HD LYS 26 HD1 LYS 26 12.029 10.724 -6.588 211 1HE LYS 26 HE2 LYS 26 13.059 8.797 -7.444 212 2HE LYS 26 HE1 LYS 26 11.519 8.033 -7.841 213 1HZ LYS 26 HZ1 LYS 26 13.019 10.072 -9.303 214 2HZ LYS 26 HZ2 LYS 26 11.322 10.153 -9.365 215 3HZ LYS 26 HZ3 LYS 26 12.129 8.753 -9.889 216 H LEU 27 HN LEU 27 11.037 5.454 -4.088 217 HA LEU 27 HA LEU 27 13.153 4.563 -2.208 218 1HB LEU 27 HB2 LEU 27 10.724 3.348 -3.401 219 2HB LEU 27 HB1 LEU 27 12.075 2.241 -3.225 220 HG LEU 27 HG LEU 27 12.199 3.118 -0.763 221 1HD1 LEU 27 HD11 LEU 27 10.699 5.037 -1.064 222 2HD1 LEU 27 HD12 LEU 27 10.013 3.900 0.093 223 3HD1 LEU 27 HD13 LEU 27 9.399 3.957 -1.560 224 1HD2 LEU 27 HD21 LEU 27 11.528 0.870 -1.302 225 2HD2 LEU 27 HD22 LEU 27 9.938 1.420 -1.827 226 3HD2 LEU 27 HD23 LEU 27 10.388 1.516 -0.127 227 H LYS 28 HN LYS 28 14.989 3.718 -2.790 228 HA LYS 28 HA LYS 28 15.570 3.194 -5.696 229 1HB LYS 28 HB2 LYS 28 17.575 3.758 -3.490 230 2HB LYS 28 HB1 LYS 28 17.892 3.677 -5.222 231 1HG LYS 28 HG2 LYS 28 16.388 5.635 -5.552 232 2HG LYS 28 HG1 LYS 28 16.199 5.743 -3.799 233 1HD LYS 28 HD2 LYS 28 18.665 5.979 -3.575 234 2HD LYS 28 HD1 LYS 28 18.805 5.968 -5.333 235 1HE LYS 28 HE2 LYS 28 18.767 8.269 -4.271 236 2HE LYS 28 HE1 LYS 28 17.560 8.005 -5.530 237 1HZ LYS 28 HZ1 LYS 28 17.029 8.906 -3.044 238 2HZ LYS 28 HZ2 LYS 28 16.684 7.249 -2.894 239 3HZ LYS 28 HZ3 LYS 28 15.896 8.181 -4.076 240 H LYS 29 HN LYS 29 16.914 1.222 -6.076 241 HA LYS 29 HA LYS 29 16.081 -1.069 -4.701 242 1HB LYS 29 HB2 LYS 29 18.769 -0.584 -6.027 243 2HB LYS 29 HB1 LYS 29 18.157 -2.168 -5.547 244 1HG LYS 29 HG2 LYS 29 16.090 -1.620 -6.978 245 2HG LYS 29 HG1 LYS 29 17.053 -0.305 -7.653 246 1HD LYS 29 HD2 LYS 29 17.823 -3.239 -7.657 247 2HD LYS 29 HD1 LYS 29 17.227 -2.334 -9.047 248 1HE LYS 29 HE2 LYS 29 19.527 -2.183 -9.392 249 2HE LYS 29 HE1 LYS 29 19.251 -0.713 -8.460 250 1HZ LYS 29 HZ1 LYS 29 20.983 -1.679 -7.334 251 2HZ LYS 29 HZ2 LYS 29 20.438 -3.265 -7.607 252 3HZ LYS 29 HZ3 LYS 29 19.666 -2.284 -6.458 253 H SER 30 HN SER 30 18.787 1.083 -3.967 254 HA SER 30 HA SER 30 20.018 -0.372 -1.882 255 1HB SER 30 HB2 SER 30 19.576 2.629 -1.960 256 2HB SER 30 HB1 SER 30 20.825 1.778 -1.055 257 HG SER 30 HG SER 30 20.501 1.690 -3.878 258 H GLU 31 HN GLU 31 16.899 1.042 -2.036 259 HA GLU 31 HA GLU 31 16.559 0.941 0.937 260 1HB GLU 31 HB2 GLU 31 14.836 2.114 -1.264 261 2HB GLU 31 HB1 GLU 31 14.346 2.034 0.428 262 1HG GLU 31 HG2 GLU 31 16.221 3.410 1.104 263 2HG GLU 31 HG1 GLU 31 16.892 3.371 -0.527 264 H LEU 32 HN LEU 32 15.197 -0.315 -2.090 265 HA LEU 32 HA LEU 32 13.271 -1.973 -0.790 266 1HB LEU 32 HB2 LEU 32 13.859 -1.318 -3.424 267 2HB LEU 32 HB1 LEU 32 14.318 -3.014 -3.362 268 HG LEU 32 HG LEU 32 11.623 -1.974 -2.415 269 1HD1 LEU 32 HD11 LEU 32 12.099 -3.477 -4.990 270 2HD1 LEU 32 HD12 LEU 32 12.158 -1.717 -4.942 271 3HD1 LEU 32 HD13 LEU 32 10.678 -2.561 -4.494 272 1HD2 LEU 32 HD21 LEU 32 12.493 -4.776 -3.159 273 2HD2 LEU 32 HD22 LEU 32 11.000 -4.291 -2.354 274 3HD2 LEU 32 HD23 LEU 32 12.541 -4.159 -1.509 275 H LYS 33 HN LYS 33 16.542 -2.726 -2.027 276 HA LYS 33 HA LYS 33 16.520 -5.417 -1.033 277 1HB LYS 33 HB2 LYS 33 18.079 -4.225 -2.755 278 2HB LYS 33 HB1 LYS 33 18.999 -3.730 -1.336 279 1HG LYS 33 HG2 LYS 33 19.106 -6.165 -0.662 280 2HG LYS 33 HG1 LYS 33 18.385 -6.563 -2.223 281 1HD LYS 33 HD2 LYS 33 20.624 -6.698 -2.818 282 2HD LYS 33 HD1 LYS 33 20.350 -4.985 -3.135 283 1HE LYS 33 HE2 LYS 33 21.165 -4.475 -0.822 284 2HE LYS 33 HE1 LYS 33 21.538 -6.186 -0.610 285 1HZ LYS 33 HZ1 LYS 33 22.726 -5.620 -2.958 286 2HZ LYS 33 HZ2 LYS 33 23.513 -5.628 -1.452 287 3HZ LYS 33 HZ3 LYS 33 22.947 -4.167 -2.110 288 H GLU 34 HN GLU 34 17.564 -2.329 0.298 289 HA GLU 34 HA GLU 34 18.636 -3.526 2.740 290 1HB GLU 34 HB2 GLU 34 19.425 -1.332 1.846 291 2HB GLU 34 HB1 GLU 34 17.863 -0.635 2.287 292 1HG GLU 34 HG2 GLU 34 18.231 -1.102 4.622 293 2HG GLU 34 HG1 GLU 34 19.676 -2.047 4.257 294 H LEU 35 HN LEU 35 15.537 -2.178 1.786 295 HA LEU 35 HA LEU 35 14.509 -2.098 4.506 296 1HB LEU 35 HB2 LEU 35 13.622 -0.630 2.714 297 2HB LEU 35 HB1 LEU 35 13.043 -2.053 1.849 298 HG LEU 35 HG LEU 35 11.697 -2.597 3.990 299 1HD1 LEU 35 HD11 LEU 35 12.738 -1.119 5.580 300 2HD1 LEU 35 HD12 LEU 35 11.117 -0.500 5.291 301 3HD1 LEU 35 HD13 LEU 35 12.502 0.275 4.529 302 1HD2 LEU 35 HD21 LEU 35 11.017 -0.072 2.459 303 2HD2 LEU 35 HD22 LEU 35 9.877 -1.117 3.310 304 3HD2 LEU 35 HD23 LEU 35 10.720 -1.712 1.880 305 H ILE 36 HN ILE 36 14.667 -4.453 1.925 306 HA ILE 36 HA ILE 36 12.705 -6.266 3.086 307 HB ILE 36 HB ILE 36 14.803 -6.540 0.921 308 1HG1 ILE 36 HG12 ILE 36 11.785 -6.759 0.803 309 2HG1 ILE 36 HG11 ILE 36 12.651 -5.245 0.554 310 1HG2 ILE 36 HG21 ILE 36 13.646 -8.767 0.444 311 2HG2 ILE 36 HG22 ILE 36 12.949 -8.648 2.061 312 3HG2 ILE 36 HG23 ILE 36 14.699 -8.745 1.857 313 1HD1 ILE 36 HD11 ILE 36 12.095 -6.515 -1.573 314 2HD1 ILE 36 HD12 ILE 36 13.222 -7.759 -1.037 315 3HD1 ILE 36 HD13 ILE 36 13.803 -6.127 -1.368 316 H ASN 37 HN ASN 37 16.251 -6.035 3.081 317 HA ASN 37 HA ASN 37 16.564 -8.434 4.718 318 1HB ASN 37 HB2 ASN 37 18.308 -7.771 3.116 319 2HB ASN 37 HB1 ASN 37 18.538 -6.251 3.982 320 1HD2 ASN 37 HD21 ASN 37 20.454 -6.407 5.161 321 2HD2 ASN 37 HD22 ASN 37 20.930 -7.761 6.068 322 H ASN 38 HN ASN 38 16.144 -5.036 5.296 323 HA ASN 38 HA ASN 38 17.123 -5.251 8.085 324 1HB ASN 38 HB2 ASN 38 17.597 -3.238 6.675 325 2HB ASN 38 HB1 ASN 38 15.871 -2.874 6.692 326 1HD2 ASN 38 HD21 ASN 38 15.380 -1.344 8.259 327 2HD2 ASN 38 HD22 ASN 38 16.148 -1.203 9.767 328 H GLU 39 HN GLU 39 14.002 -4.564 6.456 329 HA GLU 39 HA GLU 39 12.657 -4.871 9.124 330 1HB GLU 39 HB2 GLU 39 11.594 -3.692 6.544 331 2HB GLU 39 HB1 GLU 39 10.754 -3.728 8.093 332 1HG GLU 39 HG2 GLU 39 13.405 -2.341 7.583 333 2HG GLU 39 HG1 GLU 39 11.843 -1.532 7.691 334 H LEU 40 HN LEU 40 11.733 -5.580 5.739 335 HA LEU 40 HA LEU 40 9.989 -7.728 6.604 336 1HB LEU 40 HB2 LEU 40 10.924 -7.627 3.759 337 2HB LEU 40 HB1 LEU 40 9.300 -7.863 4.398 338 HG LEU 40 HG LEU 40 10.818 -5.231 4.289 339 1HD1 LEU 40 HD11 LEU 40 9.266 -4.604 2.596 340 2HD1 LEU 40 HD12 LEU 40 8.262 -6.022 2.893 341 3HD1 LEU 40 HD13 LEU 40 9.849 -6.208 2.150 342 1HD2 LEU 40 HD21 LEU 40 8.026 -5.871 5.305 343 2HD2 LEU 40 HD22 LEU 40 8.656 -4.240 5.058 344 3HD2 LEU 40 HD23 LEU 40 9.372 -5.287 6.281 345 H SER 41 HN SER 41 12.870 -7.931 7.375 346 HA SER 41 HA SER 41 13.958 -10.123 5.784 347 1HB SER 41 HB2 SER 41 15.883 -9.757 6.984 348 2HB SER 41 HB1 SER 41 15.068 -8.259 7.424 349 HG SER 41 HG SER 41 15.811 -9.395 9.259 350 H HIS 42 HN HIS 42 11.754 -9.905 8.445 351 HA HIS 42 HA HIS 42 12.308 -12.697 9.304 352 1HB HIS 42 HB2 HIS 42 11.875 -10.888 10.991 353 2HB HIS 42 HB1 HIS 42 10.237 -10.757 10.355 354 HD1 HIS 42 HD1 HIS 42 9.012 -11.689 12.394 355 HD2 HIS 42 HD2 HIS 42 11.961 -14.274 10.969 356 HE1 HIS 42 HE1 HIS 42 8.692 -13.888 13.613 357 HE2 HIS 42 HE2 HIS 42 10.480 -15.466 12.750 358 H PHE 43 HN PHE 43 10.001 -10.869 7.406 359 HA PHE 43 HA PHE 43 8.250 -13.302 7.183 360 1HB PHE 43 HB2 PHE 43 7.746 -10.348 6.785 361 2HB PHE 43 HB1 PHE 43 6.671 -11.554 6.082 362 HD1 PHE 43 HD1 PHE 43 7.257 -9.583 8.948 363 HD2 PHE 43 HD2 PHE 43 5.943 -13.497 7.760 364 HE1 PHE 43 HE1 PHE 43 6.102 -9.858 11.125 365 HE2 PHE 43 HE2 PHE 43 4.788 -13.769 9.937 366 HZ PHE 43 HZ PHE 43 4.868 -11.951 11.620 367 H LEU 44 HN LEU 44 10.274 -11.043 5.411 368 HA LEU 44 HA LEU 44 9.701 -12.561 2.893 369 1HB LEU 44 HB2 LEU 44 9.325 -9.951 3.090 370 2HB LEU 44 HB1 LEU 44 11.073 -9.882 2.904 371 HG LEU 44 HG LEU 44 10.852 -11.280 0.829 372 1HD1 LEU 44 HD11 LEU 44 8.861 -12.407 0.726 373 2HD1 LEU 44 HD12 LEU 44 8.300 -10.947 -0.079 374 3HD1 LEU 44 HD13 LEU 44 7.984 -11.182 1.639 375 1HD2 LEU 44 HD21 LEU 44 11.152 -8.970 0.457 376 2HD2 LEU 44 HD22 LEU 44 9.547 -8.565 1.069 377 3HD2 LEU 44 HD23 LEU 44 9.722 -9.358 -0.497 378 H GLU 45 HN GLU 45 11.339 -13.815 2.156 379 HA GLU 45 HA GLU 45 13.695 -14.324 3.564 380 1HB GLU 45 HB2 GLU 45 14.607 -15.074 1.251 381 2HB GLU 45 HB1 GLU 45 13.166 -15.879 1.866 382 1HG GLU 45 HG2 GLU 45 12.873 -13.426 0.136 383 2HG GLU 45 HG1 GLU 45 13.195 -14.989 -0.613 384 H GLU 46 HN GLU 46 15.621 -13.263 3.793 385 HA GLU 46 HA GLU 46 15.916 -10.569 2.818 386 1HB GLU 46 HB2 GLU 46 18.380 -11.002 3.614 387 2HB GLU 46 HB1 GLU 46 17.088 -10.977 4.813 388 1HG GLU 46 HG2 GLU 46 17.037 -13.336 4.989 389 2HG GLU 46 HG1 GLU 46 17.925 -13.556 3.482 390 H ILE 47 HN ILE 47 15.968 -10.409 0.568 391 HA ILE 47 HA ILE 47 17.264 -12.305 -1.129 392 HB ILE 47 HB ILE 47 17.129 -10.524 -2.877 393 1HG1 ILE 47 HG12 ILE 47 15.871 -8.836 -0.696 394 2HG1 ILE 47 HG11 ILE 47 17.528 -8.615 -1.253 395 1HG2 ILE 47 HG21 ILE 47 15.204 -11.974 -2.445 396 2HG2 ILE 47 HG22 ILE 47 14.659 -10.340 -2.832 397 3HG2 ILE 47 HG23 ILE 47 14.661 -10.898 -1.157 398 1HD1 ILE 47 HD11 ILE 47 16.801 -8.111 -3.490 399 2HD1 ILE 47 HD12 ILE 47 15.833 -7.125 -2.400 400 3HD1 ILE 47 HD13 ILE 47 15.143 -8.573 -3.116 401 H LYS 48 HN LYS 48 19.330 -12.419 -1.912 402 HA LYS 48 HA LYS 48 21.348 -10.551 -0.715 403 1HB LYS 48 HB2 LYS 48 21.775 -13.289 -1.954 404 2HB LYS 48 HB1 LYS 48 22.965 -12.335 -1.066 405 1HG LYS 48 HG2 LYS 48 21.574 -12.479 0.965 406 2HG LYS 48 HG1 LYS 48 20.378 -13.429 0.083 407 1HD LYS 48 HD2 LYS 48 23.278 -14.244 0.460 408 2HD LYS 48 HD1 LYS 48 21.941 -14.837 1.445 409 1HE LYS 48 HE2 LYS 48 20.889 -15.479 -0.901 410 2HE LYS 48 HE1 LYS 48 22.569 -15.413 -1.437 411 1HZ LYS 48 HZ1 LYS 48 21.881 -17.627 -0.670 412 2HZ LYS 48 HZ2 LYS 48 21.600 -16.992 0.880 413 3HZ LYS 48 HZ3 LYS 48 23.171 -16.998 0.233 414 H GLU 49 HN GLU 49 19.808 -11.572 -3.586 415 HA GLU 49 HA GLU 49 21.821 -10.137 -5.289 416 1HB GLU 49 HB2 GLU 49 19.893 -12.383 -5.952 417 2HB GLU 49 HB1 GLU 49 20.804 -11.483 -7.167 418 1HG GLU 49 HG2 GLU 49 22.919 -12.151 -6.063 419 2HG GLU 49 HG1 GLU 49 21.997 -13.081 -4.882 420 H GLN 50 HN GLN 50 21.062 -8.405 -6.454 421 HA GLN 50 HA GLN 50 18.434 -7.357 -5.805 422 1HB GLN 50 HB2 GLN 50 19.059 -5.529 -7.353 423 2HB GLN 50 HB1 GLN 50 20.363 -5.874 -6.215 424 1HG GLN 50 HG2 GLN 50 21.341 -7.418 -7.988 425 2HG GLN 50 HG1 GLN 50 20.167 -6.731 -9.112 426 1HE2 GLN 50 HE21 GLN 50 22.472 -5.440 -6.634 427 2HE2 GLN 50 HE22 GLN 50 23.058 -4.193 -7.626 428 H GLU 51 HN GLU 51 19.672 -9.430 -8.273 429 HA GLU 51 HA GLU 51 18.157 -8.906 -10.490 430 1HB GLU 51 HB2 GLU 51 18.674 -11.632 -9.287 431 2HB GLU 51 HB1 GLU 51 18.157 -11.347 -10.949 432 1HG GLU 51 HG2 GLU 51 20.198 -9.931 -11.283 433 2HG GLU 51 HG1 GLU 51 20.734 -10.394 -9.667 434 H VAL 52 HN VAL 52 16.945 -10.450 -7.535 435 HA VAL 52 HA VAL 52 14.322 -10.859 -8.756 436 HB VAL 52 HB VAL 52 13.605 -11.456 -6.465 437 1HG1 VAL 52 HG11 VAL 52 16.261 -12.604 -7.365 438 2HG1 VAL 52 HG12 VAL 52 14.652 -13.227 -7.727 439 3HG1 VAL 52 HG13 VAL 52 15.281 -13.310 -6.081 440 1HG2 VAL 52 HG21 VAL 52 15.471 -11.467 -4.710 441 2HG2 VAL 52 HG22 VAL 52 14.800 -9.889 -5.124 442 3HG2 VAL 52 HG23 VAL 52 16.353 -10.389 -5.792 443 H VAL 53 HN VAL 53 15.885 -8.492 -6.650 444 HA VAL 53 HA VAL 53 13.519 -6.968 -6.170 445 HB VAL 53 HB VAL 53 16.181 -6.820 -5.348 446 1HG1 VAL 53 HG11 VAL 53 15.598 -4.231 -6.811 447 2HG1 VAL 53 HG12 VAL 53 16.671 -5.471 -7.451 448 3HG1 VAL 53 HG13 VAL 53 17.067 -4.661 -5.939 449 1HG2 VAL 53 HG21 VAL 53 14.097 -4.653 -5.016 450 2HG2 VAL 53 HG22 VAL 53 15.464 -4.964 -3.949 451 3HG2 VAL 53 HG23 VAL 53 14.158 -6.143 -4.075 452 H ASP 54 HN ASP 54 15.598 -7.414 -8.857 453 HA ASP 54 HA ASP 54 14.652 -5.062 -10.339 454 1HB ASP 54 HB2 ASP 54 16.912 -6.190 -10.707 455 2HB ASP 54 HB1 ASP 54 16.031 -7.534 -11.435 456 H LYS 55 HN LYS 55 13.876 -8.428 -9.884 457 HA LYS 55 HA LYS 55 11.983 -8.591 -12.105 458 1HB LYS 55 HB2 LYS 55 13.192 -10.566 -11.059 459 2HB LYS 55 HB1 LYS 55 12.150 -10.356 -9.652 460 1HG LYS 55 HG2 LYS 55 10.251 -10.388 -11.612 461 2HG LYS 55 HG1 LYS 55 11.480 -11.394 -12.376 462 1HD LYS 55 HD2 LYS 55 10.350 -13.039 -11.199 463 2HD LYS 55 HD1 LYS 55 11.499 -12.564 -9.951 464 1HE LYS 55 HE2 LYS 55 8.661 -11.531 -10.243 465 2HE LYS 55 HE1 LYS 55 9.229 -12.675 -9.028 466 1HZ LYS 55 HZ1 LYS 55 9.894 -9.813 -9.313 467 2HZ LYS 55 HZ2 LYS 55 10.894 -10.863 -8.429 468 3HZ LYS 55 HZ3 LYS 55 9.278 -10.627 -7.959 469 H VAL 56 HN VAL 56 11.618 -8.581 -8.540 470 HA VAL 56 HA VAL 56 8.820 -8.359 -8.447 471 HB VAL 56 HB VAL 56 10.567 -8.603 -6.517 472 1HG1 VAL 56 HG11 VAL 56 10.140 -5.613 -6.320 473 2HG1 VAL 56 HG12 VAL 56 11.564 -6.299 -7.090 474 3HG1 VAL 56 HG13 VAL 56 11.247 -6.625 -5.391 475 1HG2 VAL 56 HG21 VAL 56 8.103 -6.862 -6.173 476 2HG2 VAL 56 HG22 VAL 56 8.921 -7.747 -4.888 477 3HG2 VAL 56 HG23 VAL 56 8.124 -8.627 -6.192 478 H MET 57 HN MET 57 11.272 -5.815 -8.789 479 HA MET 57 HA MET 57 9.438 -3.617 -8.814 480 1HB MET 57 HB2 MET 57 12.163 -4.030 -10.064 481 2HB MET 57 HB1 MET 57 11.290 -2.504 -10.185 482 1HG MET 57 HG2 MET 57 11.349 -2.150 -7.847 483 2HG MET 57 HG1 MET 57 11.762 -3.829 -7.514 484 1HE MET 57 HE1 MET 57 12.773 -0.397 -8.589 485 2HE MET 57 HE2 MET 57 14.477 -0.342 -8.132 486 3HE MET 57 HE3 MET 57 13.257 -0.672 -6.905 487 H GLU 58 HN GLU 58 10.440 -5.959 -11.229 488 HA GLU 58 HA GLU 58 9.299 -4.609 -13.504 489 1HB GLU 58 HB2 GLU 58 10.935 -6.659 -13.414 490 2HB GLU 58 HB1 GLU 58 9.465 -7.620 -13.261 491 1HG GLU 58 HG2 GLU 58 8.616 -6.768 -15.366 492 2HG GLU 58 HG1 GLU 58 9.946 -5.616 -15.492 493 H THR 59 HN THR 59 8.047 -6.582 -10.936 494 HA THR 59 HA THR 59 5.432 -6.955 -12.241 495 HB THR 59 HB THR 59 6.288 -7.586 -9.402 496 HG1 THR 59 HG1 THR 59 6.460 -8.984 -11.835 497 1HG2 THR 59 HG21 THR 59 4.360 -9.242 -9.672 498 2HG2 THR 59 HG22 THR 59 3.909 -8.324 -11.108 499 3HG2 THR 59 HG23 THR 59 3.911 -7.542 -9.526 500 H LEU 60 HN LEU 60 6.980 -4.853 -9.900 501 HA LEU 60 HA LEU 60 4.352 -3.616 -9.204 502 1HB LEU 60 HB2 LEU 60 7.098 -3.605 -7.997 503 2HB LEU 60 HB1 LEU 60 6.034 -2.244 -7.655 504 HG LEU 60 HG LEU 60 5.886 -4.054 -5.962 505 1HD1 LEU 60 HD11 LEU 60 3.193 -4.150 -7.266 506 2HD1 LEU 60 HD12 LEU 60 3.843 -2.548 -6.922 507 3HD1 LEU 60 HD13 LEU 60 3.635 -3.711 -5.618 508 1HD2 LEU 60 HD21 LEU 60 6.284 -5.906 -7.630 509 2HD2 LEU 60 HD22 LEU 60 4.619 -5.695 -8.169 510 3HD2 LEU 60 HD23 LEU 60 4.952 -6.208 -6.515 511 H ASP 61 HN ASP 61 7.532 -2.664 -10.639 512 HA ASP 61 HA ASP 61 6.955 0.082 -10.913 513 1HB ASP 61 HB2 ASP 61 8.497 -1.709 -12.798 514 2HB ASP 61 HB1 ASP 61 8.551 0.052 -12.779 515 H GLU 62 HN GLU 62 5.127 0.828 -11.679 516 HA GLU 62 HA GLU 62 3.781 -0.475 -13.969 517 1HB GLU 62 HB2 GLU 62 2.385 0.288 -12.080 518 2HB GLU 62 HB1 GLU 62 2.991 1.930 -12.292 519 1HG GLU 62 HG2 GLU 62 1.997 2.048 -14.524 520 2HG GLU 62 HG1 GLU 62 1.465 0.372 -14.401 521 H ASP 63 HN ASP 63 5.295 2.577 -13.075 522 HA ASP 63 HA ASP 63 5.027 3.662 -15.778 523 1HB ASP 63 HB2 ASP 63 6.592 5.433 -14.856 524 2HB ASP 63 HB1 ASP 63 5.088 5.250 -13.952 525 H GLY 64 HN GLY 64 6.878 1.266 -14.391 526 1HA GLY 64 HA2 GLY 64 8.862 0.203 -15.083 527 2HA GLY 64 HA1 GLY 64 8.584 0.967 -16.651 528 H ASP 65 HN ASP 65 9.175 2.428 -13.459 529 HA ASP 65 HA ASP 65 11.270 4.132 -14.717 530 1HB ASP 65 HB2 ASP 65 11.126 5.451 -12.657 531 2HB ASP 65 HB1 ASP 65 9.512 5.191 -13.317 532 H GLY 66 HN GLY 66 11.101 1.206 -13.089 533 1HA GLY 66 HA2 GLY 66 12.861 -0.132 -12.242 534 2HA GLY 66 HA1 GLY 66 13.988 1.145 -12.710 535 H GLU 67 HN GLU 67 11.541 2.520 -10.999 536 HA GLU 67 HA GLU 67 12.935 2.232 -8.359 537 1HB GLU 67 HB2 GLU 67 11.759 4.735 -9.623 538 2HB GLU 67 HB1 GLU 67 12.338 4.628 -7.960 539 1HG GLU 67 HG2 GLU 67 14.587 4.180 -8.682 540 2HG GLU 67 HG1 GLU 67 14.069 3.963 -10.353 541 H CYS 68 HN CYS 68 11.263 3.095 -6.598 542 HA CYS 68 HA CYS 68 8.519 2.119 -7.351 543 1HB CYS 68 HB2 CYS 68 10.100 1.574 -4.825 544 2HB CYS 68 HB1 CYS 68 8.393 1.183 -5.034 545 HG CYS 68 HG CYS 68 9.239 -0.320 -7.154 546 H ASP 69 HN ASP 69 7.760 4.310 -7.566 547 HA ASP 69 HA ASP 69 8.135 6.397 -5.727 548 1HB ASP 69 HB2 ASP 69 5.466 5.870 -7.047 549 2HB ASP 69 HB1 ASP 69 6.224 7.423 -6.690 550 H PHE 70 HN PHE 70 5.710 7.115 -4.524 551 HA PHE 70 HA PHE 70 5.709 5.280 -2.280 552 1HB PHE 70 HB2 PHE 70 3.531 7.085 -1.994 553 2HB PHE 70 HB1 PHE 70 5.107 7.191 -1.227 554 HD1 PHE 70 HD1 PHE 70 2.852 8.931 -3.262 555 HD2 PHE 70 HD2 PHE 70 7.044 8.053 -2.907 556 HE1 PHE 70 HE1 PHE 70 3.389 10.953 -4.590 557 HE2 PHE 70 HE2 PHE 70 7.579 10.079 -4.233 558 HZ PHE 70 HZ PHE 70 5.752 11.529 -5.074 559 H GLN 71 HN GLN 71 3.074 6.277 -4.511 560 HA GLN 71 HA GLN 71 1.115 4.527 -3.551 561 1HB GLN 71 HB2 GLN 71 0.053 4.714 -5.785 562 2HB GLN 71 HB1 GLN 71 0.587 6.276 -5.175 563 1HG GLN 71 HG2 GLN 71 1.367 6.319 -7.382 564 2HG GLN 71 HG1 GLN 71 2.790 5.764 -6.501 565 1HE2 GLN 71 HE21 GLN 71 3.070 4.959 -8.969 566 2HE2 GLN 71 HE22 GLN 71 2.555 3.366 -9.250 567 H GLU 72 HN GLU 72 3.858 3.831 -5.621 568 HA GLU 72 HA GLU 72 2.855 1.127 -6.221 569 1HB GLU 72 HB2 GLU 72 4.061 2.448 -7.928 570 2HB GLU 72 HB1 GLU 72 5.466 2.526 -6.867 571 1HG GLU 72 HG2 GLU 72 5.272 -0.126 -6.925 572 2HG GLU 72 HG1 GLU 72 4.373 0.180 -8.409 573 H PHE 73 HN PHE 73 5.430 2.712 -4.353 574 HA PHE 73 HA PHE 73 6.654 0.348 -3.402 575 1HB PHE 73 HB2 PHE 73 7.819 2.390 -3.033 576 2HB PHE 73 HB1 PHE 73 6.420 3.121 -2.269 577 HD1 PHE 73 HD1 PHE 73 7.656 -0.317 -1.492 578 HD2 PHE 73 HD2 PHE 73 7.447 3.788 -0.246 579 HE1 PHE 73 HE1 PHE 73 8.522 -0.946 0.738 580 HE2 PHE 73 HE2 PHE 73 8.316 3.151 1.973 581 HZ PHE 73 HZ PHE 73 8.862 0.802 2.464 582 H MET 74 HN MET 74 3.825 2.117 -2.196 583 HA MET 74 HA MET 74 3.547 0.540 0.192 584 1HB MET 74 HB2 MET 74 2.229 2.688 -0.548 585 2HB MET 74 HB1 MET 74 1.190 1.563 -1.411 586 1HG MET 74 HG2 MET 74 0.040 1.309 0.540 587 2HG MET 74 HG1 MET 74 1.427 0.419 1.156 588 1HE MET 74 HE1 MET 74 -0.990 2.536 2.250 589 2HE MET 74 HE2 MET 74 -0.208 3.207 3.678 590 3HE MET 74 HE3 MET 74 -0.136 1.471 3.376 591 H ALA 75 HN ALA 75 2.272 0.296 -3.071 592 HA ALA 75 HA ALA 75 0.821 -2.115 -2.842 593 1HB ALA 75 HB1 ALA 75 1.128 -0.600 -4.913 594 2HB ALA 75 HB2 ALA 75 0.984 -2.335 -5.196 595 3HB ALA 75 HB3 ALA 75 2.567 -1.562 -5.240 596 H PHE 76 HN PHE 76 4.234 -1.674 -2.560 597 HA PHE 76 HA PHE 76 4.902 -4.435 -3.232 598 1HB PHE 76 HB2 PHE 76 6.698 -2.835 -3.425 599 2HB PHE 76 HB1 PHE 76 6.482 -2.319 -1.761 600 HD1 PHE 76 HD1 PHE 76 8.261 -2.995 -0.414 601 HD2 PHE 76 HD2 PHE 76 6.781 -5.697 -3.420 602 HE1 PHE 76 HE1 PHE 76 9.859 -4.726 0.343 603 HE2 PHE 76 HE2 PHE 76 8.371 -7.424 -2.643 604 HZ PHE 76 HZ PHE 76 9.913 -6.940 -0.765 605 H VAL 77 HN VAL 77 4.753 -2.696 -0.083 606 HA VAL 77 HA VAL 77 5.072 -5.007 1.539 607 HB VAL 77 HB VAL 77 3.448 -2.483 2.013 608 1HG1 VAL 77 HG11 VAL 77 2.473 -4.091 3.465 609 2HG1 VAL 77 HG12 VAL 77 3.660 -3.253 4.466 610 3HG1 VAL 77 HG13 VAL 77 4.030 -4.847 3.804 611 1HG2 VAL 77 HG21 VAL 77 6.199 -3.435 2.851 612 2HG2 VAL 77 HG22 VAL 77 5.389 -2.067 3.613 613 3HG2 VAL 77 HG23 VAL 77 5.798 -2.007 1.898 614 H SER 78 HN SER 78 2.347 -3.779 -0.241 615 HA SER 78 HA SER 78 0.315 -5.418 0.935 616 1HB SER 78 HB2 SER 78 0.016 -3.377 -0.555 617 2HB SER 78 HB1 SER 78 0.395 -4.422 -1.913 618 HG SER 78 HG SER 78 -1.335 -5.816 -0.921 619 H MET 79 HN MET 79 2.624 -5.884 -1.686 620 HA MET 79 HA MET 79 1.446 -8.383 -2.558 621 1HB MET 79 HB2 MET 79 2.840 -6.932 -4.048 622 2HB MET 79 HB1 MET 79 4.245 -7.332 -3.064 623 1HG MET 79 HG2 MET 79 4.384 -9.490 -3.892 624 2HG MET 79 HG1 MET 79 2.641 -9.636 -4.108 625 1HE MET 79 HE1 MET 79 5.955 -8.275 -5.341 626 2HE MET 79 HE2 MET 79 5.795 -8.421 -7.090 627 3HE MET 79 HE3 MET 79 5.685 -9.860 -6.079 628 H VAL 80 HN VAL 80 3.830 -7.444 -0.175 629 HA VAL 80 HA VAL 80 4.620 -10.260 0.249 630 HB VAL 80 HB VAL 80 6.383 -9.496 1.543 631 1HG1 VAL 80 HG11 VAL 80 7.407 -7.684 0.481 632 2HG1 VAL 80 HG12 VAL 80 5.892 -6.810 0.286 633 3HG1 VAL 80 HG13 VAL 80 6.235 -8.213 -0.726 634 1HG2 VAL 80 HG21 VAL 80 6.301 -7.307 2.836 635 2HG2 VAL 80 HG22 VAL 80 5.182 -8.549 3.391 636 3HG2 VAL 80 HG23 VAL 80 4.598 -7.212 2.411 637 H THR 81 HN THR 81 2.573 -7.725 1.556 638 HA THR 81 HA THR 81 1.921 -9.205 3.974 639 HB THR 81 HB THR 81 0.297 -7.038 2.601 640 HG1 THR 81 HG1 THR 81 2.395 -6.329 3.063 641 1HG2 THR 81 HG21 THR 81 0.324 -8.226 5.375 642 2HG2 THR 81 HG22 THR 81 -1.032 -8.104 4.255 643 3HG2 THR 81 HG23 THR 81 -0.397 -6.654 5.034 644 H THR 82 HN THR 82 0.605 -8.930 0.655 645 HA THR 82 HA THR 82 -1.802 -10.388 1.241 646 HB THR 82 HB THR 82 -1.777 -10.795 -1.271 647 HG1 THR 82 HG1 THR 82 0.552 -9.203 -1.029 648 1HG2 THR 82 HG21 THR 82 -1.808 -8.174 0.139 649 2HG2 THR 82 HG22 THR 82 -3.008 -8.886 -0.941 650 3HG2 THR 82 HG23 THR 82 -1.580 -8.093 -1.607 651 H ALA 83 HN ALA 83 1.481 -11.445 0.233 652 HA ALA 83 HA ALA 83 0.745 -14.155 -0.287 653 1HB ALA 83 HB1 ALA 83 2.920 -13.173 -0.971 654 2HB ALA 83 HB2 ALA 83 3.149 -14.626 0.002 655 3HB ALA 83 HB3 ALA 83 3.379 -13.034 0.726 656 H CYS 84 HN CYS 84 2.037 -12.543 2.626 657 HA CYS 84 HA CYS 84 1.988 -14.844 4.309 658 1HB CYS 84 HB2 CYS 84 2.978 -12.515 4.808 659 2HB CYS 84 HB1 CYS 84 1.339 -12.044 5.259 660 HG CYS 84 HG CYS 84 2.875 -14.364 6.698 661 H HIS 85 HN HIS 85 -0.533 -12.867 3.019 662 HA HIS 85 HA HIS 85 -2.548 -13.904 4.934 663 1HB HIS 85 HB2 HIS 85 -2.714 -11.542 4.240 664 2HB HIS 85 HB1 HIS 85 -2.835 -12.042 2.553 665 HD1 HIS 85 HD1 HIS 85 -4.555 -13.751 5.454 666 HD2 HIS 85 HD2 HIS 85 -5.548 -11.436 2.133 667 HE1 HIS 85 HE1 HIS 85 -7.077 -13.799 5.280 668 H GLU 86 HN GLU 86 -1.556 -14.207 1.547 669 HA GLU 86 HA GLU 86 -3.789 -15.801 0.700 670 1HB GLU 86 HB2 GLU 86 -2.165 -14.660 -0.845 671 2HB GLU 86 HB1 GLU 86 -0.961 -15.864 -0.391 672 1HG GLU 86 HG2 GLU 86 -2.009 -16.583 -2.455 673 2HG GLU 86 HG1 GLU 86 -2.548 -17.652 -1.162 674 H PHE 87 HN PHE 87 -0.504 -16.718 1.741 675 HA PHE 87 HA PHE 87 -0.943 -19.536 1.632 676 1HB PHE 87 HB2 PHE 87 0.949 -17.830 3.263 677 2HB PHE 87 HB1 PHE 87 0.949 -19.591 3.362 678 HD1 PHE 87 HD1 PHE 87 0.972 -20.842 1.019 679 HD2 PHE 87 HD2 PHE 87 2.317 -16.811 1.651 680 HE1 PHE 87 HE1 PHE 87 2.326 -20.969 -1.053 681 HE2 PHE 87 HE2 PHE 87 3.673 -16.941 -0.421 682 HZ PHE 87 HZ PHE 87 3.678 -19.019 -1.774 683 H PHE 88 HN PHE 88 -1.609 -17.113 4.109 684 HA PHE 88 HA PHE 88 -2.291 -19.000 6.181 685 1HB PHE 88 HB2 PHE 88 -1.767 -16.765 6.860 686 2HB PHE 88 HB1 PHE 88 -2.948 -16.077 5.748 687 HD1 PHE 88 HD1 PHE 88 -3.036 -18.796 8.361 688 HD2 PHE 88 HD2 PHE 88 -4.782 -15.160 6.872 689 HE1 PHE 88 HE1 PHE 88 -4.763 -18.896 10.133 690 HE2 PHE 88 HE2 PHE 88 -6.506 -15.265 8.649 691 HZ PHE 88 HZ PHE 88 -6.496 -17.133 10.280 692 H GLU 89 HN GLU 89 -4.460 -16.891 4.226 693 HA GLU 89 HA GLU 89 -6.763 -18.519 4.944 694 1HB GLU 89 HB2 GLU 89 -8.057 -16.993 3.663 695 2HB GLU 89 HB1 GLU 89 -6.778 -16.017 4.380 696 1HG GLU 89 HG2 GLU 89 -5.483 -16.530 2.160 697 2HG GLU 89 HG1 GLU 89 -7.075 -16.942 1.525 698 H HIS 90 HN HIS 90 -4.419 -19.729 3.431 699 HA HIS 90 HA HIS 90 -5.367 -20.380 0.787 700 1HB HIS 90 HB2 HIS 90 -2.995 -20.635 1.486 701 2HB HIS 90 HB1 HIS 90 -3.472 -21.934 2.577 702 HD1 HIS 90 HD1 HIS 90 -1.922 -23.537 1.122 703 HD2 HIS 90 HD2 HIS 90 -5.232 -21.993 -0.894 704 HE1 HIS 90 HE1 HIS 90 -2.203 -24.932 -0.975 705 HE2 HIS 90 HE2 HIS 90 -4.214 -24.000 -2.208 706 H GLU 91 HN GLU 91 -7.425 -21.236 0.732 707 HA GLU 91 HA GLU 91 -8.271 -23.265 2.683 708 1HB GLU 91 HB2 GLU 91 -9.611 -22.029 0.264 709 2HB GLU 91 HB1 GLU 91 -10.370 -23.272 1.259 710 1HG GLU 91 HG2 GLU 91 -10.341 -21.869 3.199 711 2HG GLU 91 HG1 GLU 91 -9.276 -20.699 2.416 712 1H MET 0 HT1 MET 0 6.785 -7.872 10.846 713 2H MET 0 HT2 MET 0 8.150 -7.681 9.853 714 3H MET 0 HT3 MET 0 7.220 -6.329 10.294 715 HA MET 0 HA MET 0 7.989 -7.558 12.665 716 1HB MET 0 HB2 MET 0 9.721 -8.666 11.222 717 2HB MET 0 HB1 MET 0 10.329 -7.065 10.804 718 1HG MET 0 HG2 MET 0 10.866 -6.595 13.112 719 2HG MET 0 HG1 MET 0 10.068 -8.073 13.650 720 1HE MET 0 HE1 MET 0 12.047 -8.372 15.005 721 2HE MET 0 HE2 MET 0 13.287 -7.305 14.350 722 3HE MET 0 HE3 MET 0 13.602 -9.034 14.482 723 H SER 1 HN SER 1 8.024 -5.818 14.014 724 HA SER 1 HA SER 1 8.409 -3.644 14.778 725 1HB SER 1 HB2 SER 1 10.487 -3.996 13.119 726 2HB SER 1 HB1 SER 1 9.647 -2.740 12.218 727 HG SER 1 HG SER 1 9.916 -2.428 14.980 728 H GLU 2 HN GLU 2 8.444 -1.321 13.044 729 HA GLU 2 HA GLU 2 5.768 -0.544 13.032 730 1HB GLU 2 HB2 GLU 2 7.965 0.286 11.116 731 2HB GLU 2 HB1 GLU 2 6.422 1.124 11.277 732 1HG GLU 2 HG2 GLU 2 8.312 0.641 13.594 733 2HG GLU 2 HG1 GLU 2 8.295 2.128 12.643 734 H LEU 3 HN LEU 3 7.389 -2.665 10.775 735 HA LEU 3 HA LEU 3 5.306 -2.424 8.729 736 1HB LEU 3 HB2 LEU 3 7.516 -4.484 9.091 737 2HB LEU 3 HB1 LEU 3 6.481 -4.351 7.676 738 HG LEU 3 HG LEU 3 8.578 -3.268 7.175 739 1HD1 LEU 3 HD11 LEU 3 6.279 -2.141 6.606 740 2HD1 LEU 3 HD12 LEU 3 7.775 -1.250 6.337 741 3HD1 LEU 3 HD13 LEU 3 6.799 -0.917 7.766 742 1HD2 LEU 3 HD21 LEU 3 9.015 -2.823 9.722 743 2HD2 LEU 3 HD22 LEU 3 8.213 -1.287 9.410 744 3HD2 LEU 3 HD23 LEU 3 9.671 -1.708 8.529 745 H GLU 4 HN GLU 4 5.895 -4.387 11.566 746 HA GLU 4 HA GLU 4 4.008 -6.473 10.794 747 1HB GLU 4 HB2 GLU 4 5.739 -7.043 12.389 748 2HB GLU 4 HB1 GLU 4 5.251 -5.731 13.461 749 1HG GLU 4 HG2 GLU 4 3.206 -6.809 14.021 750 2HG GLU 4 HG1 GLU 4 3.347 -7.946 12.679 751 H LYS 5 HN LYS 5 3.879 -3.337 12.230 752 HA LYS 5 HA LYS 5 1.269 -3.679 13.483 753 1HB LYS 5 HB2 LYS 5 3.151 -1.392 12.947 754 2HB LYS 5 HB1 LYS 5 1.477 -1.020 13.366 755 1HG LYS 5 HG2 LYS 5 1.667 -1.896 15.511 756 2HG LYS 5 HG1 LYS 5 2.949 -3.016 15.066 757 1HD LYS 5 HD2 LYS 5 3.637 -0.112 14.839 758 2HD LYS 5 HD1 LYS 5 3.394 -0.715 16.475 759 1HE LYS 5 HE2 LYS 5 5.155 -2.217 14.543 760 2HE LYS 5 HE1 LYS 5 5.789 -0.857 15.464 761 1HZ LYS 5 HZ1 LYS 5 4.917 -1.999 17.487 762 2HZ LYS 5 HZ2 LYS 5 6.189 -2.813 16.711 763 3HZ LYS 5 HZ3 LYS 5 4.591 -3.356 16.522 764 H ALA 6 HN ALA 6 2.431 -1.949 10.565 765 HA ALA 6 HA ALA 6 -0.167 -1.260 9.630 766 1HB ALA 6 HB1 ALA 6 1.915 -0.190 8.814 767 2HB ALA 6 HB2 ALA 6 0.943 -0.815 7.482 768 3HB ALA 6 HB3 ALA 6 2.364 -1.702 8.029 769 H MET 7 HN MET 7 1.986 -3.888 8.536 770 HA MET 7 HA MET 7 0.166 -5.056 6.730 771 1HB MET 7 HB2 MET 7 2.280 -6.370 8.471 772 2HB MET 7 HB1 MET 7 1.405 -7.218 7.199 773 1HG MET 7 HG2 MET 7 2.243 -5.170 5.713 774 2HG MET 7 HG1 MET 7 3.483 -5.067 6.957 775 1HE MET 7 HE1 MET 7 5.634 -6.588 6.943 776 2HE MET 7 HE2 MET 7 5.395 -5.487 5.590 777 3HE MET 7 HE3 MET 7 6.003 -7.115 5.296 778 H VAL 8 HN VAL 8 0.412 -5.465 10.245 779 HA VAL 8 HA VAL 8 -1.650 -7.538 10.274 780 HB VAL 8 HB VAL 8 -0.404 -5.866 12.474 781 1HG1 VAL 8 HG11 VAL 8 -1.470 -7.688 13.944 782 2HG1 VAL 8 HG12 VAL 8 -2.498 -8.043 12.556 783 3HG1 VAL 8 HG13 VAL 8 -2.552 -6.448 13.308 784 1HG2 VAL 8 HG21 VAL 8 0.958 -7.635 11.209 785 2HG2 VAL 8 HG22 VAL 8 -0.135 -8.828 11.909 786 3HG2 VAL 8 HG23 VAL 8 0.871 -7.830 12.961 787 H ALA 9 HN ALA 9 -1.507 -4.087 11.098 788 HA ALA 9 HA ALA 9 -4.234 -3.801 11.869 789 1HB ALA 9 HB1 ALA 9 -2.469 -1.749 10.492 790 2HB ALA 9 HB2 ALA 9 -2.497 -2.053 12.229 791 3HB ALA 9 HB3 ALA 9 -3.928 -1.407 11.423 792 H LEU 10 HN LEU 10 -2.686 -3.850 8.685 793 HA LEU 10 HA LEU 10 -5.119 -2.974 7.319 794 1HB LEU 10 HB2 LEU 10 -2.361 -3.833 6.545 795 2HB LEU 10 HB1 LEU 10 -3.608 -3.946 5.307 796 HG LEU 10 HG LEU 10 -3.552 -1.371 6.848 797 1HD1 LEU 10 HD11 LEU 10 -1.136 -1.837 6.514 798 2HD1 LEU 10 HD12 LEU 10 -1.696 -0.445 5.587 799 3HD1 LEU 10 HD13 LEU 10 -1.434 -1.992 4.785 800 1HD2 LEU 10 HD21 LEU 10 -3.987 -0.461 4.589 801 2HD2 LEU 10 HD22 LEU 10 -5.110 -1.766 4.972 802 3HD2 LEU 10 HD23 LEU 10 -3.742 -2.066 3.897 803 H ILE 11 HN ILE 11 -3.440 -6.128 7.599 804 HA ILE 11 HA ILE 11 -5.062 -7.705 5.989 805 HB ILE 11 HB ILE 11 -3.788 -8.302 8.669 806 1HG1 ILE 11 HG12 ILE 11 -3.169 -9.428 5.931 807 2HG1 ILE 11 HG11 ILE 11 -2.476 -7.909 6.489 808 1HG2 ILE 11 HG21 ILE 11 -4.211 -10.754 7.985 809 2HG2 ILE 11 HG22 ILE 11 -5.445 -10.113 6.900 810 3HG2 ILE 11 HG23 ILE 11 -5.586 -9.863 8.640 811 1HD1 ILE 11 HD11 ILE 11 -2.187 -10.618 7.818 812 2HD1 ILE 11 HD12 ILE 11 -1.593 -9.106 8.505 813 3HD1 ILE 11 HD13 ILE 11 -0.918 -9.713 6.993 814 H ASP 12 HN ASP 12 -5.851 -6.291 9.102 815 HA ASP 12 HA ASP 12 -8.319 -7.804 9.414 816 1HB ASP 12 HB2 ASP 12 -7.087 -6.735 11.333 817 2HB ASP 12 HB1 ASP 12 -7.570 -5.161 10.700 818 H VAL 13 HN VAL 13 -7.524 -4.488 8.374 819 HA VAL 13 HA VAL 13 -10.287 -3.925 7.633 820 HB VAL 13 HB VAL 13 -7.857 -2.374 6.684 821 1HG1 VAL 13 HG11 VAL 13 -9.386 -0.525 6.603 822 2HG1 VAL 13 HG12 VAL 13 -10.633 -1.442 7.449 823 3HG1 VAL 13 HG13 VAL 13 -10.181 -1.881 5.801 824 1HG2 VAL 13 HG21 VAL 13 -9.330 -2.039 9.317 825 2HG2 VAL 13 HG22 VAL 13 -7.965 -1.085 8.742 826 3HG2 VAL 13 HG23 VAL 13 -7.737 -2.775 9.163 827 H PHE 14 HN PHE 14 -7.476 -5.276 6.077 828 HA PHE 14 HA PHE 14 -8.429 -4.846 3.366 829 1HB PHE 14 HB2 PHE 14 -6.134 -6.151 4.641 830 2HB PHE 14 HB1 PHE 14 -6.722 -7.104 3.291 831 HD1 PHE 14 HD1 PHE 14 -5.298 -6.721 1.464 832 HD2 PHE 14 HD2 PHE 14 -6.600 -3.400 3.867 833 HE1 PHE 14 HE1 PHE 14 -4.205 -5.147 -0.110 834 HE2 PHE 14 HE2 PHE 14 -5.503 -1.833 2.292 835 HZ PHE 14 HZ PHE 14 -4.310 -2.705 0.305 836 H HIS 15 HN HIS 15 -8.434 -7.764 5.456 837 HA HIS 15 HA HIS 15 -10.009 -9.233 3.528 838 1HB HIS 15 HB2 HIS 15 -8.431 -10.008 5.570 839 2HB HIS 15 HB1 HIS 15 -9.980 -10.092 6.401 840 HD1 HIS 15 HD1 HIS 15 -8.490 -12.692 5.874 841 HD2 HIS 15 HD2 HIS 15 -11.267 -11.122 3.188 842 HE1 HIS 15 HE1 HIS 15 -9.266 -14.623 4.432 843 H GLN 16 HN GLN 16 -10.834 -7.130 6.218 844 HA GLN 16 HA GLN 16 -13.490 -8.089 6.621 845 1HB GLN 16 HB2 GLN 16 -12.461 -6.736 8.313 846 2HB GLN 16 HB1 GLN 16 -12.127 -5.441 7.163 847 1HG GLN 16 HG2 GLN 16 -14.389 -4.831 7.005 848 2HG GLN 16 HG1 GLN 16 -14.937 -6.361 7.679 849 1HE2 GLN 16 HE21 GLN 16 -16.162 -4.833 9.228 850 2HE2 GLN 16 HE22 GLN 16 -15.329 -4.279 10.600 851 H TYR 17 HN TYR 17 -12.126 -5.574 4.505 852 HA TYR 17 HA TYR 17 -14.826 -5.012 3.395 853 1HB TYR 17 HB2 TYR 17 -12.104 -3.753 3.024 854 2HB TYR 17 HB1 TYR 17 -13.464 -3.349 1.977 855 HD1 TYR 17 HD1 TYR 17 -15.088 -1.775 2.674 856 HD2 TYR 17 HD2 TYR 17 -12.451 -3.542 5.571 857 HE1 TYR 17 HE1 TYR 17 -15.964 -0.237 4.412 858 HE2 TYR 17 HE2 TYR 17 -13.327 -2.005 7.307 859 HH TYR 17 HH TYR 17 -15.863 -0.636 7.439 860 H SER 18 HN SER 18 -11.614 -5.850 2.046 861 HA SER 18 HA SER 18 -12.534 -6.521 -0.525 862 1HB SER 18 HB2 SER 18 -10.107 -6.524 0.634 863 2HB SER 18 HB1 SER 18 -10.409 -8.256 0.672 864 HG SER 18 HG SER 18 -11.172 -7.381 -1.692 865 H GLY 19 HN GLY 19 -12.959 -8.144 2.498 866 1HA GLY 19 HA2 GLY 19 -13.963 -10.622 1.169 867 2HA GLY 19 HA1 GLY 19 -13.580 -10.463 2.881 868 H ARG 20 HN ARG 20 -15.206 -7.672 2.164 869 HA ARG 20 HA ARG 20 -17.527 -8.318 3.646 870 1HB ARG 20 HB2 ARG 20 -16.858 -6.013 3.229 871 2HB ARG 20 HB1 ARG 20 -17.114 -6.209 1.502 872 1HG ARG 20 HG2 ARG 20 -19.568 -6.702 2.061 873 2HG ARG 20 HG1 ARG 20 -19.198 -6.169 3.701 874 1HD ARG 20 HD2 ARG 20 -18.371 -4.014 2.768 875 2HD ARG 20 HD1 ARG 20 -18.856 -4.556 1.161 876 HE ARG 20 HE ARG 20 -20.650 -3.614 3.273 877 1HH1 ARG 20 HH21 ARG 20 -20.246 -5.537 0.440 878 2HH1 ARG 20 HH22 ARG 20 -21.907 -5.420 -0.036 879 1HH2 ARG 20 HH11 ARG 20 -22.819 -3.452 2.669 880 2HH2 ARG 20 HH12 ARG 20 -23.367 -4.249 1.233 881 H GLU 21 HN GLU 21 -16.916 -8.488 0.168 882 HA GLU 21 HA GLU 21 -19.016 -10.487 -0.131 883 1HB GLU 21 HB2 GLU 21 -20.396 -9.099 -1.741 884 2HB GLU 21 HB1 GLU 21 -20.524 -8.635 -0.046 885 1HG GLU 21 HG2 GLU 21 -18.939 -6.817 -0.374 886 2HG GLU 21 HG1 GLU 21 -18.662 -7.319 -2.043 887 H GLY 22 HN GLY 22 -19.428 -10.948 -2.544 888 1HA GLY 22 HA2 GLY 22 -18.607 -11.455 -4.678 889 2HA GLY 22 HA1 GLY 22 -17.501 -10.100 -4.510 890 H ASP 23 HN ASP 23 -15.719 -11.209 -5.349 891 HA ASP 23 HA ASP 23 -14.824 -13.779 -4.790 892 1HB ASP 23 HB2 ASP 23 -13.112 -11.289 -5.044 893 2HB ASP 23 HB1 ASP 23 -12.541 -12.947 -5.236 894 H LYS 24 HN LYS 24 -12.833 -14.296 -3.355 895 HA LYS 24 HA LYS 24 -13.639 -13.766 -0.627 896 1HB LYS 24 HB2 LYS 24 -12.262 -15.799 -1.894 897 2HB LYS 24 HB1 LYS 24 -10.958 -14.985 -1.036 898 1HG LYS 24 HG2 LYS 24 -13.546 -15.936 0.243 899 2HG LYS 24 HG1 LYS 24 -12.008 -16.793 0.319 900 1HD LYS 24 HD2 LYS 24 -11.012 -14.684 1.331 901 2HD LYS 24 HD1 LYS 24 -12.662 -14.078 1.478 902 1HE LYS 24 HE2 LYS 24 -11.642 -16.666 2.679 903 2HE LYS 24 HE1 LYS 24 -11.916 -15.169 3.570 904 1HZ LYS 24 HZ1 LYS 24 -14.266 -15.383 2.469 905 2HZ LYS 24 HZ2 LYS 24 -13.895 -16.218 3.902 906 3HZ LYS 24 HZ3 LYS 24 -13.860 -17.028 2.409 907 H HIS 25 HN HIS 25 -11.784 -11.870 -2.748 908 HA HIS 25 HA HIS 25 -10.996 -10.152 -0.571 909 1HB HIS 25 HB2 HIS 25 -9.304 -12.270 -0.752 910 2HB HIS 25 HB1 HIS 25 -8.512 -11.190 -1.884 911 HD2 HIS 25 HD2 HIS 25 -7.922 -8.531 -0.619 912 HE1 HIS 25 HE1 HIS 25 -7.743 -10.232 3.244 913 HE2 HIS 25 HE2 HIS 25 -7.187 -8.180 1.859 914 H LYS 26 HN LYS 26 -12.312 -8.992 -2.415 915 HA LYS 26 HA LYS 26 -10.313 -7.476 -3.997 916 1HB LYS 26 HB2 LYS 26 -12.667 -8.998 -5.109 917 2HB LYS 26 HB1 LYS 26 -12.181 -7.481 -5.867 918 1HG LYS 26 HG2 LYS 26 -9.952 -8.323 -6.287 919 2HG LYS 26 HG1 LYS 26 -10.274 -9.780 -5.347 920 1HD LYS 26 HD2 LYS 26 -10.435 -10.170 -7.807 921 2HD LYS 26 HD1 LYS 26 -11.944 -10.505 -6.964 922 1HE LYS 26 HE2 LYS 26 -12.980 -8.559 -7.773 923 2HE LYS 26 HE1 LYS 26 -11.442 -7.777 -8.140 924 1HZ LYS 26 HZ1 LYS 26 -12.015 -8.444 -10.211 925 2HZ LYS 26 HZ2 LYS 26 -12.934 -9.765 -9.670 926 3HZ LYS 26 HZ3 LYS 26 -11.239 -9.868 -9.716 927 H LEU 27 HN LEU 27 -10.983 -5.301 -4.322 928 HA LEU 27 HA LEU 27 -13.109 -4.461 -2.429 929 1HB LEU 27 HB2 LEU 27 -10.670 -3.213 -3.573 930 2HB LEU 27 HB1 LEU 27 -12.022 -2.110 -3.379 931 HG LEU 27 HG LEU 27 -12.168 -3.058 -0.941 932 1HD1 LEU 27 HD11 LEU 27 -9.984 -3.854 -0.091 933 2HD1 LEU 27 HD12 LEU 27 -9.359 -3.868 -1.741 934 3HD1 LEU 27 HD13 LEU 27 -10.661 -4.963 -1.283 935 1HD2 LEU 27 HD21 LEU 27 -9.904 -1.321 -1.936 936 2HD2 LEU 27 HD22 LEU 27 -10.367 -1.472 -0.243 937 3HD2 LEU 27 HD23 LEU 27 -11.501 -0.793 -1.406 938 H LYS 28 HN LYS 28 -14.940 -3.597 -2.995 939 HA LYS 28 HA LYS 28 -15.508 -2.997 -5.887 940 1HB LYS 28 HB2 LYS 28 -17.521 -3.623 -3.706 941 2HB LYS 28 HB1 LYS 28 -17.832 -3.492 -5.437 942 1HG LYS 28 HG2 LYS 28 -16.326 -5.440 -5.818 943 2HG LYS 28 HG1 LYS 28 -16.143 -5.598 -4.068 944 1HD LYS 28 HD2 LYS 28 -18.615 -5.842 -3.865 945 2HD LYS 28 HD1 LYS 28 -18.742 -5.785 -5.623 946 1HE LYS 28 HE2 LYS 28 -18.708 -8.113 -4.626 947 2HE LYS 28 HE1 LYS 28 -17.486 -7.813 -5.863 948 1HZ LYS 28 HZ1 LYS 28 -15.829 -7.972 -4.385 949 2HZ LYS 28 HZ2 LYS 28 -16.959 -8.804 -3.428 950 3HZ LYS 28 HZ3 LYS 28 -16.676 -7.149 -3.170 951 H LYS 29 HN LYS 29 -16.849 -1.021 -6.224 952 HA LYS 29 HA LYS 29 -16.032 1.241 -4.793 953 1HB LYS 29 HB2 LYS 29 -18.698 0.757 -6.161 954 2HB LYS 29 HB1 LYS 29 -18.130 2.339 -5.628 955 1HG LYS 29 HG2 LYS 29 -16.024 1.865 -7.040 956 2HG LYS 29 HG1 LYS 29 -16.958 0.558 -7.768 957 1HD LYS 29 HD2 LYS 29 -17.746 3.485 -7.709 958 2HD LYS 29 HD1 LYS 29 -17.152 2.604 -9.115 959 1HE LYS 29 HE2 LYS 29 -19.456 2.473 -9.456 960 2HE LYS 29 HE1 LYS 29 -19.174 0.977 -8.567 961 1HZ LYS 29 HZ1 LYS 29 -19.518 3.027 -6.707 962 2HZ LYS 29 HZ2 LYS 29 -20.541 1.703 -7.008 963 3HZ LYS 29 HZ3 LYS 29 -20.770 3.167 -7.841 964 H SER 30 HN SER 30 -18.738 -0.934 -4.127 965 HA SER 30 HA SER 30 -19.979 0.465 -2.011 966 1HB SER 30 HB2 SER 30 -19.537 -2.534 -2.157 967 2HB SER 30 HB1 SER 30 -20.793 -1.704 -1.243 968 HG SER 30 HG SER 30 -20.530 -2.120 -3.997 969 H GLU 31 HN GLU 31 -16.858 -0.945 -2.183 970 HA GLU 31 HA GLU 31 -16.537 -0.925 0.794 971 1HB GLU 31 HB2 GLU 31 -14.806 -2.041 -1.430 972 2HB GLU 31 HB1 GLU 31 -14.320 -2.002 0.265 973 1HG GLU 31 HG2 GLU 31 -16.194 -3.398 0.901 974 2HG GLU 31 HG1 GLU 31 -16.864 -3.316 -0.729 975 H LEU 32 HN LEU 32 -15.161 0.414 -2.190 976 HA LEU 32 HA LEU 32 -13.240 2.034 -0.833 977 1HB LEU 32 HB2 LEU 32 -13.806 1.452 -3.492 978 2HB LEU 32 HB1 LEU 32 -14.269 3.144 -3.385 979 HG LEU 32 HG LEU 32 -11.582 2.084 -2.441 980 1HD1 LEU 32 HD11 LEU 32 -12.470 3.155 -5.117 981 2HD1 LEU 32 HD12 LEU 32 -11.505 1.725 -4.770 982 3HD1 LEU 32 HD13 LEU 32 -10.799 3.329 -4.579 983 1HD2 LEU 32 HD21 LEU 32 -12.539 4.260 -1.518 984 2HD2 LEU 32 HD22 LEU 32 -12.427 4.899 -3.157 985 3HD2 LEU 32 HD23 LEU 32 -10.968 4.393 -2.305 986 H LYS 33 HN LYS 33 -16.501 2.826 -2.077 987 HA LYS 33 HA LYS 33 -16.491 5.489 -1.012 988 1HB LYS 33 HB2 LYS 33 -18.040 4.335 -2.767 989 2HB LYS 33 HB1 LYS 33 -18.965 3.803 -1.366 990 1HG LYS 33 HG2 LYS 33 -19.084 6.223 -0.633 991 2HG LYS 33 HG1 LYS 33 -18.354 6.659 -2.180 992 1HD LYS 33 HD2 LYS 33 -20.586 6.804 -2.788 993 2HD LYS 33 HD1 LYS 33 -20.310 5.098 -3.139 994 1HE LYS 33 HE2 LYS 33 -21.139 4.540 -0.844 995 2HE LYS 33 HE1 LYS 33 -21.514 6.245 -0.598 996 1HZ LYS 33 HZ1 LYS 33 -23.402 5.989 -1.696 997 2HZ LYS 33 HZ2 LYS 33 -23.095 4.324 -1.827 998 3HZ LYS 33 HZ3 LYS 33 -22.589 5.381 -3.057 999 H GLU 34 HN GLU 34 -17.539 2.362 0.235 1000 HA GLU 34 HA GLU 34 -18.625 3.491 2.702 1001 1HB GLU 34 HB2 GLU 34 -19.408 1.323 1.741 1002 2HB GLU 34 HB1 GLU 34 -17.848 0.613 2.173 1003 1HG GLU 34 HG2 GLU 34 -18.234 1.018 4.518 1004 2HG GLU 34 HG1 GLU 34 -19.679 1.968 4.169 1005 H LEU 35 HN LEU 35 -15.522 2.169 1.734 1006 HA LEU 35 HA LEU 35 -14.510 2.021 4.457 1007 1HB LEU 35 HB2 LEU 35 -13.611 0.598 2.635 1008 2HB LEU 35 HB1 LEU 35 -13.029 2.040 1.806 1009 HG LEU 35 HG LEU 35 -11.694 2.533 3.971 1010 1HD1 LEU 35 HD11 LEU 35 -12.747 1.010 5.513 1011 2HD1 LEU 35 HD12 LEU 35 -11.121 0.405 5.221 1012 3HD1 LEU 35 HD13 LEU 35 -12.496 -0.354 4.426 1013 1HD2 LEU 35 HD21 LEU 35 -10.707 1.707 1.841 1014 2HD2 LEU 35 HD22 LEU 35 -11.003 0.052 2.375 1015 3HD2 LEU 35 HD23 LEU 35 -9.868 1.076 3.259 1016 H ILE 36 HN ILE 36 -14.651 4.444 1.935 1017 HA ILE 36 HA ILE 36 -12.699 6.226 3.159 1018 HB ILE 36 HB ILE 36 -14.783 6.560 0.989 1019 1HG1 ILE 36 HG12 ILE 36 -11.764 6.769 0.897 1020 2HG1 ILE 36 HG11 ILE 36 -12.636 5.271 0.593 1021 1HG2 ILE 36 HG21 ILE 36 -13.625 8.798 0.582 1022 2HG2 ILE 36 HG22 ILE 36 -12.934 8.632 2.196 1023 3HG2 ILE 36 HG23 ILE 36 -14.683 8.735 1.990 1024 1HD1 ILE 36 HD11 ILE 36 -12.061 6.595 -1.490 1025 2HD1 ILE 36 HD12 ILE 36 -13.172 7.839 -0.921 1026 3HD1 ILE 36 HD13 ILE 36 -13.776 6.228 -1.304 1027 H ASN 37 HN ASN 37 -16.245 5.991 3.127 1028 HA ASN 37 HA ASN 37 -16.567 8.345 4.826 1029 1HB ASN 37 HB2 ASN 37 -18.302 7.725 3.197 1030 2HB ASN 37 HB1 ASN 37 -18.537 6.184 4.021 1031 1HD2 ASN 37 HD21 ASN 37 -20.453 6.305 5.192 1032 2HD2 ASN 37 HD22 ASN 37 -20.940 7.635 6.129 1033 H ASN 38 HN ASN 38 -16.149 4.934 5.315 1034 HA ASN 38 HA ASN 38 -17.145 5.072 8.103 1035 1HB ASN 38 HB2 ASN 38 -17.606 3.097 6.632 1036 2HB ASN 38 HB1 ASN 38 -15.880 2.733 6.657 1037 1HD2 ASN 38 HD21 ASN 38 -15.399 1.167 8.188 1038 2HD2 ASN 38 HD22 ASN 38 -16.182 0.981 9.683 1039 H GLU 39 HN GLU 39 -14.014 4.429 6.477 1040 HA GLU 39 HA GLU 39 -12.685 4.667 9.161 1041 1HB GLU 39 HB2 GLU 39 -11.608 3.566 6.552 1042 2HB GLU 39 HB1 GLU 39 -10.774 3.558 8.105 1043 1HG GLU 39 HG2 GLU 39 -13.418 2.181 7.539 1044 2HG GLU 39 HG1 GLU 39 -11.853 1.373 7.636 1045 H LEU 40 HN LEU 40 -11.740 5.469 5.802 1046 HA LEU 40 HA LEU 40 -10.003 7.595 6.731 1047 1HB LEU 40 HB2 LEU 40 -10.925 7.568 3.882 1048 2HB LEU 40 HB1 LEU 40 -9.305 7.786 4.532 1049 HG LEU 40 HG LEU 40 -10.822 5.159 4.348 1050 1HD1 LEU 40 HD11 LEU 40 -9.254 4.580 2.646 1051 2HD1 LEU 40 HD12 LEU 40 -8.263 5.999 2.982 1052 3HD1 LEU 40 HD13 LEU 40 -9.852 6.189 2.238 1053 1HD2 LEU 40 HD21 LEU 40 -8.696 4.134 5.123 1054 2HD2 LEU 40 HD22 LEU 40 -9.363 5.205 6.354 1055 3HD2 LEU 40 HD23 LEU 40 -8.014 5.745 5.356 1056 H SER 41 HN SER 41 -12.890 7.772 7.488 1057 HA SER 41 HA SER 41 -13.970 10.004 5.949 1058 1HB SER 41 HB2 SER 41 -15.901 9.604 7.129 1059 2HB SER 41 HB1 SER 41 -15.086 8.096 7.529 1060 HG SER 41 HG SER 41 -15.482 10.399 9.063 1061 H HIS 42 HN HIS 42 -11.783 9.719 8.621 1062 HA HIS 42 HA HIS 42 -12.345 12.487 9.548 1063 1HB HIS 42 HB2 HIS 42 -11.922 10.635 11.189 1064 2HB HIS 42 HB1 HIS 42 -10.280 10.520 10.559 1065 HD1 HIS 42 HD1 HIS 42 -9.065 11.397 12.626 1066 HD2 HIS 42 HD2 HIS 42 -12.005 14.023 11.257 1067 HE1 HIS 42 HE1 HIS 42 -8.754 13.560 13.909 1068 HE2 HIS 42 HE2 HIS 42 -10.536 15.163 13.081 1069 H PHE 43 HN PHE 43 -10.025 10.714 7.615 1070 HA PHE 43 HA PHE 43 -8.273 13.152 7.470 1071 1HB PHE 43 HB2 PHE 43 -7.767 10.209 6.994 1072 2HB PHE 43 HB1 PHE 43 -6.688 11.436 6.329 1073 HD1 PHE 43 HD1 PHE 43 -7.292 9.386 9.139 1074 HD2 PHE 43 HD2 PHE 43 -5.970 13.330 8.061 1075 HE1 PHE 43 HE1 PHE 43 -6.147 9.602 11.329 1076 HE2 PHE 43 HE2 PHE 43 -4.828 13.545 10.253 1077 HZ PHE 43 HZ PHE 43 -4.917 11.681 11.886 1078 H LEU 44 HN LEU 44 -10.282 10.936 5.626 1079 HA LEU 44 HA LEU 44 -9.698 12.523 3.152 1080 1HB LEU 44 HB2 LEU 44 -9.322 9.910 3.280 1081 2HB LEU 44 HB1 LEU 44 -11.069 9.844 3.085 1082 HG LEU 44 HG LEU 44 -10.838 11.300 1.049 1083 1HD1 LEU 44 HD11 LEU 44 -8.843 12.426 0.990 1084 2HD1 LEU 44 HD12 LEU 44 -8.288 10.990 0.139 1085 3HD1 LEU 44 HD13 LEU 44 -7.971 11.170 1.864 1086 1HD2 LEU 44 HD21 LEU 44 -9.727 9.419 -0.331 1087 2HD2 LEU 44 HD22 LEU 44 -11.136 8.991 0.636 1088 3HD2 LEU 44 HD23 LEU 44 -9.518 8.586 1.210 1089 H GLU 45 HN GLU 45 -11.332 13.795 2.440 1090 HA GLU 45 HA GLU 45 -13.696 14.266 3.847 1091 1HB GLU 45 HB2 GLU 45 -14.595 15.078 1.547 1092 2HB GLU 45 HB1 GLU 45 -13.159 15.868 2.194 1093 1HG GLU 45 HG2 GLU 45 -12.853 13.463 0.399 1094 2HG GLU 45 HG1 GLU 45 -13.169 15.046 -0.307 1095 H GLU 46 HN GLU 46 -15.625 13.198 4.034 1096 HA GLU 46 HA GLU 46 -15.911 10.531 2.985 1097 1HB GLU 46 HB2 GLU 46 -18.381 10.940 3.780 1098 2HB GLU 46 HB1 GLU 46 -17.094 10.886 4.984 1099 1HG GLU 46 HG2 GLU 46 -17.046 13.238 5.221 1100 2HG GLU 46 HG1 GLU 46 -17.928 13.497 3.717 1101 H ILE 47 HN ILE 47 -15.950 10.432 0.733 1102 HA ILE 47 HA ILE 47 -17.236 12.371 -0.924 1103 HB ILE 47 HB ILE 47 -17.089 10.629 -2.715 1104 1HG1 ILE 47 HG12 ILE 47 -15.829 8.897 -0.571 1105 2HG1 ILE 47 HG11 ILE 47 -17.490 8.688 -1.118 1106 1HG2 ILE 47 HG21 ILE 47 -14.620 10.450 -2.659 1107 2HG2 ILE 47 HG22 ILE 47 -14.634 10.968 -0.971 1108 3HG2 ILE 47 HG23 ILE 47 -15.170 12.075 -2.235 1109 1HD1 ILE 47 HD11 ILE 47 -15.665 7.256 -2.267 1110 2HD1 ILE 47 HD12 ILE 47 -15.211 8.741 -3.095 1111 3HD1 ILE 47 HD13 ILE 47 -16.832 8.078 -3.298 1112 H LYS 48 HN LYS 48 -19.300 12.506 -1.714 1113 HA LYS 48 HA LYS 48 -21.320 10.603 -0.578 1114 1HB LYS 48 HB2 LYS 48 -21.758 13.369 -1.748 1115 2HB LYS 48 HB1 LYS 48 -22.938 12.390 -0.875 1116 1HG LYS 48 HG2 LYS 48 -21.538 12.493 1.151 1117 2HG LYS 48 HG1 LYS 48 -20.352 13.469 0.286 1118 1HD LYS 48 HD2 LYS 48 -23.252 14.262 0.700 1119 2HD LYS 48 HD1 LYS 48 -21.913 14.836 1.692 1120 1HE LYS 48 HE2 LYS 48 -20.879 15.536 -0.646 1121 2HE LYS 48 HE1 LYS 48 -22.563 15.482 -1.168 1122 1HZ LYS 48 HZ1 LYS 48 -21.923 16.876 1.325 1123 2HZ LYS 48 HZ2 LYS 48 -23.142 17.195 0.186 1124 3HZ LYS 48 HZ3 LYS 48 -21.535 17.638 -0.139 1125 H GLU 49 HN GLU 49 -19.766 11.703 -3.410 1126 HA GLU 49 HA GLU 49 -21.771 10.319 -5.164 1127 1HB GLU 49 HB2 GLU 49 -19.842 12.585 -5.742 1128 2HB GLU 49 HB1 GLU 49 -20.729 11.717 -6.996 1129 1HG GLU 49 HG2 GLU 49 -22.863 12.339 -5.902 1130 2HG GLU 49 HG1 GLU 49 -21.964 13.241 -4.682 1131 H GLN 50 HN GLN 50 -21.004 8.614 -6.370 1132 HA GLN 50 HA GLN 50 -18.379 7.549 -5.735 1133 1HB GLN 50 HB2 GLN 50 -18.987 5.766 -7.339 1134 2HB GLN 50 HB1 GLN 50 -20.297 6.070 -6.197 1135 1HG GLN 50 HG2 GLN 50 -21.271 7.664 -7.931 1136 2HG GLN 50 HG1 GLN 50 -20.092 7.008 -9.067 1137 1HE2 GLN 50 HE21 GLN 50 -22.410 5.653 -6.637 1138 2HE2 GLN 50 HE22 GLN 50 -22.986 4.430 -7.663 1139 H GLU 51 HN GLU 51 -19.601 9.690 -8.151 1140 HA GLU 51 HA GLU 51 -18.072 9.226 -10.373 1141 1HB GLU 51 HB2 GLU 51 -18.600 11.918 -9.100 1142 2HB GLU 51 HB1 GLU 51 -18.069 11.679 -10.765 1143 1HG GLU 51 HG2 GLU 51 -20.103 10.274 -11.159 1144 2HG GLU 51 HG1 GLU 51 -20.653 10.684 -9.534 1145 H VAL 52 HN VAL 52 -16.878 10.689 -7.372 1146 HA VAL 52 HA VAL 52 -14.249 11.133 -8.567 1147 HB VAL 52 HB VAL 52 -13.545 11.668 -6.256 1148 1HG1 VAL 52 HG11 VAL 52 -15.074 13.566 -5.875 1149 2HG1 VAL 52 HG12 VAL 52 -16.245 12.850 -6.981 1150 3HG1 VAL 52 HG13 VAL 52 -14.686 13.409 -7.588 1151 1HG2 VAL 52 HG21 VAL 52 -16.298 10.584 -5.627 1152 2HG2 VAL 52 HG22 VAL 52 -15.423 11.631 -4.512 1153 3HG2 VAL 52 HG23 VAL 52 -14.748 10.066 -4.965 1154 H VAL 53 HN VAL 53 -15.824 8.711 -6.533 1155 HA VAL 53 HA VAL 53 -13.460 7.176 -6.080 1156 HB VAL 53 HB VAL 53 -16.127 7.007 -5.282 1157 1HG1 VAL 53 HG11 VAL 53 -17.008 4.861 -5.927 1158 2HG1 VAL 53 HG12 VAL 53 -15.535 4.453 -6.803 1159 3HG1 VAL 53 HG13 VAL 53 -16.604 5.709 -7.418 1160 1HG2 VAL 53 HG21 VAL 53 -15.416 5.113 -3.927 1161 2HG2 VAL 53 HG22 VAL 53 -14.120 6.306 -4.006 1162 3HG2 VAL 53 HG23 VAL 53 -14.035 4.844 -4.986 1163 H ASP 54 HN ASP 54 -15.524 7.693 -8.769 1164 HA ASP 54 HA ASP 54 -14.566 5.379 -10.306 1165 1HB ASP 54 HB2 ASP 54 -16.827 6.507 -10.659 1166 2HB ASP 54 HB1 ASP 54 -15.948 7.875 -11.343 1167 H LYS 55 HN LYS 55 -13.797 8.731 -9.756 1168 HA LYS 55 HA LYS 55 -11.890 8.954 -11.962 1169 1HB LYS 55 HB2 LYS 55 -13.105 10.902 -10.871 1170 2HB LYS 55 HB1 LYS 55 -12.072 10.653 -9.463 1171 1HG LYS 55 HG2 LYS 55 -10.159 10.738 -11.407 1172 2HG LYS 55 HG1 LYS 55 -11.383 11.760 -12.156 1173 1HD LYS 55 HD2 LYS 55 -10.271 13.381 -10.930 1174 2HD LYS 55 HD1 LYS 55 -11.424 12.868 -9.701 1175 1HE LYS 55 HE2 LYS 55 -8.580 11.856 -10.005 1176 2HE LYS 55 HE1 LYS 55 -9.160 12.961 -8.758 1177 1HZ LYS 55 HZ1 LYS 55 -10.801 11.147 -8.184 1178 2HZ LYS 55 HZ2 LYS 55 -9.177 10.852 -7.782 1179 3HZ LYS 55 HZ3 LYS 55 -9.864 10.116 -9.150 1180 H VAL 56 HN VAL 56 -11.545 8.851 -8.394 1181 HA VAL 56 HA VAL 56 -8.750 8.626 -8.290 1182 HB VAL 56 HB VAL 56 -10.511 8.818 -6.367 1183 1HG1 VAL 56 HG11 VAL 56 -11.188 6.807 -5.295 1184 2HG1 VAL 56 HG12 VAL 56 -10.076 5.827 -6.251 1185 3HG1 VAL 56 HG13 VAL 56 -11.500 6.532 -7.006 1186 1HG2 VAL 56 HG21 VAL 56 -8.193 8.936 -5.829 1187 2HG2 VAL 56 HG22 VAL 56 -7.937 7.235 -6.220 1188 3HG2 VAL 56 HG23 VAL 56 -8.847 7.680 -4.777 1189 H MET 57 HN MET 57 -11.196 6.090 -8.717 1190 HA MET 57 HA MET 57 -9.359 3.893 -8.791 1191 1HB MET 57 HB2 MET 57 -12.079 4.340 -10.045 1192 2HB MET 57 HB1 MET 57 -11.203 2.817 -10.200 1193 1HG MET 57 HG2 MET 57 -11.276 2.400 -7.875 1194 2HG MET 57 HG1 MET 57 -11.690 4.072 -7.500 1195 1HE MET 57 HE1 MET 57 -14.412 0.609 -8.222 1196 2HE MET 57 HE2 MET 57 -13.186 0.897 -6.990 1197 3HE MET 57 HE3 MET 57 -12.699 0.671 -8.673 1198 H GLU 58 HN GLU 58 -10.349 6.302 -11.147 1199 HA GLU 58 HA GLU 58 -9.192 5.016 -13.451 1200 1HB GLU 58 HB2 GLU 58 -10.834 7.061 -13.317 1201 2HB GLU 58 HB1 GLU 58 -9.365 8.018 -13.129 1202 1HG GLU 58 HG2 GLU 58 -8.504 7.222 -15.251 1203 2HG GLU 58 HG1 GLU 58 -9.832 6.071 -15.413 1204 H THR 59 HN THR 59 -7.962 6.925 -10.824 1205 HA THR 59 HA THR 59 -5.337 7.331 -12.101 1206 HB THR 59 HB THR 59 -6.213 7.886 -9.253 1207 HG1 THR 59 HG1 THR 59 -7.126 9.594 -10.025 1208 1HG2 THR 59 HG21 THR 59 -3.823 8.673 -10.920 1209 2HG2 THR 59 HG22 THR 59 -3.831 7.831 -9.370 1210 3HG2 THR 59 HG23 THR 59 -4.276 9.536 -9.451 1211 H LEU 60 HN LEU 60 -6.899 5.163 -9.829 1212 HA LEU 60 HA LEU 60 -4.274 3.910 -9.151 1213 1HB LEU 60 HB2 LEU 60 -7.026 3.857 -7.958 1214 2HB LEU 60 HB1 LEU 60 -5.956 2.493 -7.649 1215 HG LEU 60 HG LEU 60 -5.829 4.265 -5.909 1216 1HD1 LEU 60 HD11 LEU 60 -3.578 3.927 -5.553 1217 2HD1 LEU 60 HD12 LEU 60 -3.127 4.374 -7.196 1218 3HD1 LEU 60 HD13 LEU 60 -3.785 2.773 -6.866 1219 1HD2 LEU 60 HD21 LEU 60 -6.200 6.149 -7.560 1220 2HD2 LEU 60 HD22 LEU 60 -4.518 5.956 -8.048 1221 3HD2 LEU 60 HD23 LEU 60 -4.908 6.430 -6.396 1222 H ASP 61 HN ASP 61 -7.448 2.990 -10.626 1223 HA ASP 61 HA ASP 61 -6.863 0.255 -10.973 1224 1HB ASP 61 HB2 ASP 61 -8.395 2.091 -12.820 1225 2HB ASP 61 HB1 ASP 61 -8.449 0.329 -12.844 1226 H GLU 62 HN GLU 62 -5.031 -0.469 -11.749 1227 HA GLU 62 HA GLU 62 -3.672 0.897 -13.993 1228 1HB GLU 62 HB2 GLU 62 -2.287 0.083 -12.117 1229 2HB GLU 62 HB1 GLU 62 -2.889 -1.554 -12.380 1230 1HG GLU 62 HG2 GLU 62 -1.883 -1.604 -14.610 1231 2HG GLU 62 HG1 GLU 62 -1.354 0.069 -14.432 1232 H ASP 63 HN ASP 63 -5.186 -2.183 -13.190 1233 HA ASP 63 HA ASP 63 -4.905 -3.193 -15.920 1234 1HB ASP 63 HB2 ASP 63 -6.475 -4.989 -15.053 1235 2HB ASP 63 HB1 ASP 63 -4.976 -4.830 -14.137 1236 H GLY 64 HN GLY 64 -6.760 -0.829 -14.487 1237 1HA GLY 64 HA2 GLY 64 -8.748 0.248 -15.155 1238 2HA GLY 64 HA1 GLY 64 -8.461 -0.470 -16.743 1239 H ASP 65 HN ASP 65 -9.067 -2.018 -13.594 1240 HA ASP 65 HA ASP 65 -11.151 -3.691 -14.909 1241 1HB ASP 65 HB2 ASP 65 -11.021 -5.064 -12.882 1242 2HB ASP 65 HB1 ASP 65 -9.402 -4.788 -13.525 1243 H GLY 66 HN GLY 66 -10.996 -0.811 -13.203 1244 1HA GLY 66 HA2 GLY 66 -12.761 0.504 -12.333 1245 2HA GLY 66 HA1 GLY 66 -13.885 -0.760 -12.842 1246 H GLU 67 HN GLU 67 -11.447 -2.178 -11.151 1247 HA GLU 67 HA GLU 67 -12.856 -1.961 -8.512 1248 1HB GLU 67 HB2 GLU 67 -11.675 -4.430 -9.837 1249 2HB GLU 67 HB1 GLU 67 -12.262 -4.368 -8.174 1250 1HG GLU 67 HG2 GLU 67 -14.504 -3.899 -8.894 1251 2HG GLU 67 HG1 GLU 67 -13.979 -3.638 -10.557 1252 H CYS 68 HN CYS 68 -11.194 -2.872 -6.764 1253 HA CYS 68 HA CYS 68 -8.448 -1.874 -7.474 1254 1HB CYS 68 HB2 CYS 68 -10.048 -1.396 -4.946 1255 2HB CYS 68 HB1 CYS 68 -8.340 -1.002 -5.131 1256 HG CYS 68 HG CYS 68 -10.570 0.324 -6.887 1257 H ASP 69 HN ASP 69 -7.686 -4.058 -7.745 1258 HA ASP 69 HA ASP 69 -8.068 -6.195 -5.965 1259 1HB ASP 69 HB2 ASP 69 -5.392 -5.631 -7.255 1260 2HB ASP 69 HB1 ASP 69 -6.149 -7.193 -6.941 1261 H PHE 70 HN PHE 70 -5.647 -6.945 -4.767 1262 HA PHE 70 HA PHE 70 -5.661 -5.170 -2.477 1263 1HB PHE 70 HB2 PHE 70 -3.489 -6.984 -2.217 1264 2HB PHE 70 HB1 PHE 70 -5.072 -7.108 -1.468 1265 HD1 PHE 70 HD1 PHE 70 -2.799 -8.796 -3.529 1266 HD2 PHE 70 HD2 PHE 70 -6.993 -7.929 -3.180 1267 HE1 PHE 70 HE1 PHE 70 -3.327 -10.781 -4.918 1268 HE2 PHE 70 HE2 PHE 70 -7.519 -9.913 -4.570 1269 HZ PHE 70 HZ PHE 70 -5.686 -11.340 -5.438 1270 H GLN 71 HN GLN 71 -3.011 -6.106 -4.718 1271 HA GLN 71 HA GLN 71 -1.058 -4.383 -3.697 1272 1HB GLN 71 HB2 GLN 71 0.013 -4.512 -5.931 1273 2HB GLN 71 HB1 GLN 71 -0.527 -6.088 -5.365 1274 1HG GLN 71 HG2 GLN 71 -1.301 -6.074 -7.575 1275 2HG GLN 71 HG1 GLN 71 -2.724 -5.534 -6.685 1276 1HE2 GLN 71 HE21 GLN 71 -2.994 -4.659 -9.134 1277 2HE2 GLN 71 HE22 GLN 71 -2.464 -3.065 -9.371 1278 H GLU 72 HN GLU 72 -3.793 -3.636 -5.763 1279 HA GLU 72 HA GLU 72 -2.791 -0.914 -6.284 1280 1HB GLU 72 HB2 GLU 72 -3.986 -2.191 -8.035 1281 2HB GLU 72 HB1 GLU 72 -5.397 -2.301 -6.984 1282 1HG GLU 72 HG2 GLU 72 -5.206 0.353 -6.968 1283 2HG GLU 72 HG1 GLU 72 -4.299 0.089 -8.454 1284 H PHE 73 HN PHE 73 -5.374 -2.550 -4.473 1285 HA PHE 73 HA PHE 73 -6.605 -0.214 -3.470 1286 1HB PHE 73 HB2 PHE 73 -7.771 -2.265 -3.160 1287 2HB PHE 73 HB1 PHE 73 -6.376 -3.015 -2.406 1288 HD1 PHE 73 HD1 PHE 73 -7.617 0.401 -1.547 1289 HD2 PHE 73 HD2 PHE 73 -7.416 -3.736 -0.407 1290 HE1 PHE 73 HE1 PHE 73 -8.501 0.972 0.690 1291 HE2 PHE 73 HE2 PHE 73 -8.303 -3.154 1.823 1292 HZ PHE 73 HZ PHE 73 -8.852 -0.820 2.369 1293 H MET 74 HN MET 74 -3.785 -2.013 -2.289 1294 HA MET 74 HA MET 74 -3.523 -0.497 0.137 1295 1HB MET 74 HB2 MET 74 -2.198 -2.622 -0.652 1296 2HB MET 74 HB1 MET 74 -1.156 -1.475 -1.479 1297 1HG MET 74 HG2 MET 74 -0.017 -1.265 0.484 1298 2HG MET 74 HG1 MET 74 -1.412 -0.403 1.121 1299 1HE MET 74 HE1 MET 74 0.188 -3.204 3.620 1300 2HE MET 74 HE2 MET 74 0.219 -1.488 3.219 1301 3HE MET 74 HE3 MET 74 1.019 -2.648 2.162 1302 H ALA 75 HN ALA 75 -2.226 -0.163 -3.111 1303 HA ALA 75 HA ALA 75 -0.779 2.242 -2.804 1304 1HB ALA 75 HB1 ALA 75 -1.037 0.805 -4.921 1305 2HB ALA 75 HB2 ALA 75 -0.954 2.551 -5.156 1306 3HB ALA 75 HB3 ALA 75 -2.509 1.725 -5.225 1307 H PHE 76 HN PHE 76 -4.192 1.789 -2.558 1308 HA PHE 76 HA PHE 76 -4.856 4.567 -3.159 1309 1HB PHE 76 HB2 PHE 76 -6.651 2.975 -3.408 1310 2HB PHE 76 HB1 PHE 76 -6.447 2.411 -1.758 1311 HD1 PHE 76 HD1 PHE 76 -8.234 3.050 -0.405 1312 HD2 PHE 76 HD2 PHE 76 -6.735 5.835 -3.322 1313 HE1 PHE 76 HE1 PHE 76 -9.837 4.758 0.391 1314 HE2 PHE 76 HE2 PHE 76 -8.333 7.538 -2.509 1315 HZ PHE 76 HZ PHE 76 -9.887 7.002 -0.656 1316 H VAL 77 HN VAL 77 -4.725 2.745 -0.053 1317 HA VAL 77 HA VAL 77 -5.056 5.012 1.627 1318 HB VAL 77 HB VAL 77 -3.430 2.479 2.044 1319 1HG1 VAL 77 HG11 VAL 77 -2.477 4.077 3.538 1320 2HG1 VAL 77 HG12 VAL 77 -3.644 3.176 4.506 1321 3HG1 VAL 77 HG13 VAL 77 -4.052 4.783 3.903 1322 1HG2 VAL 77 HG21 VAL 77 -5.373 1.990 3.594 1323 2HG2 VAL 77 HG22 VAL 77 -5.796 2.038 1.882 1324 3HG2 VAL 77 HG23 VAL 77 -6.177 3.410 2.924 1325 H SER 78 HN SER 78 -2.321 3.834 -0.171 1326 HA SER 78 HA SER 78 -0.296 5.443 1.060 1327 1HB SER 78 HB2 SER 78 0.014 3.440 -0.467 1328 2HB SER 78 HB1 SER 78 -0.370 4.508 -1.807 1329 HG SER 78 HG SER 78 1.361 5.881 -0.690 1330 H MET 79 HN MET 79 -2.591 5.976 -1.562 1331 HA MET 79 HA MET 79 -1.407 8.496 -2.365 1332 1HB MET 79 HB2 MET 79 -2.797 7.085 -3.896 1333 2HB MET 79 HB1 MET 79 -4.206 7.461 -2.909 1334 1HG MET 79 HG2 MET 79 -4.338 9.640 -3.683 1335 2HG MET 79 HG1 MET 79 -2.596 9.794 -3.883 1336 1HE MET 79 HE1 MET 79 -5.706 8.763 -6.962 1337 2HE MET 79 HE2 MET 79 -5.643 10.041 -5.750 1338 3HE MET 79 HE3 MET 79 -5.904 8.373 -5.247 1339 H VAL 80 HN VAL 80 -3.811 7.496 -0.025 1340 HA VAL 80 HA VAL 80 -4.603 10.299 0.478 1341 HB VAL 80 HB VAL 80 -6.369 9.493 1.740 1342 1HG1 VAL 80 HG11 VAL 80 -5.870 6.845 0.413 1343 2HG1 VAL 80 HG12 VAL 80 -6.202 8.272 -0.564 1344 3HG1 VAL 80 HG13 VAL 80 -7.385 7.716 0.619 1345 1HG2 VAL 80 HG21 VAL 80 -4.529 7.253 2.583 1346 2HG2 VAL 80 HG22 VAL 80 -6.251 7.209 2.932 1347 3HG2 VAL 80 HG23 VAL 80 -5.251 8.506 3.585 1348 H THR 81 HN THR 81 -2.563 7.728 1.727 1349 HA THR 81 HA THR 81 -1.926 9.146 4.186 1350 HB THR 81 HB THR 81 -0.299 7.008 2.772 1351 HG1 THR 81 HG1 THR 81 -2.613 6.604 3.428 1352 1HG2 THR 81 HG21 THR 81 1.006 8.082 4.463 1353 2HG2 THR 81 HG22 THR 81 0.424 6.574 5.169 1354 3HG2 THR 81 HG23 THR 81 -0.351 8.102 5.587 1355 H THR 82 HN THR 82 -0.590 8.962 0.870 1356 HA THR 82 HA THR 82 1.814 10.403 1.513 1357 HB THR 82 HB THR 82 1.803 10.874 -0.990 1358 HG1 THR 82 HG1 THR 82 -0.706 10.358 -0.691 1359 1HG2 THR 82 HG21 THR 82 1.830 8.218 0.356 1360 2HG2 THR 82 HG22 THR 82 3.038 8.963 -0.693 1361 3HG2 THR 82 HG23 THR 82 1.619 8.185 -1.394 1362 H ALA 83 HN ALA 83 -1.464 11.482 0.512 1363 HA ALA 83 HA ALA 83 -0.724 14.205 0.065 1364 1HB ALA 83 HB1 ALA 83 -3.371 13.090 1.051 1365 2HB ALA 83 HB2 ALA 83 -2.898 13.206 -0.643 1366 3HB ALA 83 HB3 ALA 83 -3.119 14.672 0.312 1367 H CYS 84 HN CYS 84 -2.038 12.520 2.929 1368 HA CYS 84 HA CYS 84 -1.993 14.773 4.675 1369 1HB CYS 84 HB2 CYS 84 -2.987 12.431 5.105 1370 2HB CYS 84 HB1 CYS 84 -1.351 11.947 5.550 1371 HG CYS 84 HG CYS 84 -1.590 14.156 7.267 1372 H HIS 85 HN HIS 85 0.535 12.834 3.342 1373 HA HIS 85 HA HIS 85 2.538 13.818 5.297 1374 1HB HIS 85 HB2 HIS 85 2.709 11.476 4.547 1375 2HB HIS 85 HB1 HIS 85 2.840 12.018 2.872 1376 HD1 HIS 85 HD1 HIS 85 4.547 13.650 5.830 1377 HD2 HIS 85 HD2 HIS 85 5.554 11.428 2.449 1378 HE1 HIS 85 HE1 HIS 85 7.070 13.698 5.670 1379 H GLU 86 HN GLU 86 1.569 14.212 1.914 1380 HA GLU 86 HA GLU 86 3.804 15.830 1.125 1381 1HB GLU 86 HB2 GLU 86 2.192 14.726 -0.455 1382 2HB GLU 86 HB1 GLU 86 0.982 15.914 0.024 1383 1HG GLU 86 HG2 GLU 86 2.039 16.690 -2.016 1384 2HG GLU 86 HG1 GLU 86 2.572 17.727 -0.693 1385 H PHE 87 HN PHE 87 0.511 16.713 2.173 1386 HA PHE 87 HA PHE 87 0.951 19.534 2.140 1387 1HB PHE 87 HB2 PHE 87 -0.956 17.791 3.717 1388 2HB PHE 87 HB1 PHE 87 -0.953 19.549 3.856 1389 HD1 PHE 87 HD1 PHE 87 -0.962 20.856 1.547 1390 HD2 PHE 87 HD2 PHE 87 -2.311 16.809 2.070 1391 HE1 PHE 87 HE1 PHE 87 -2.308 21.036 -0.529 1392 HE2 PHE 87 HE2 PHE 87 -3.655 16.991 -0.007 1393 HZ PHE 87 HZ PHE 87 -3.654 19.104 -1.306 1394 H PHE 88 HN PHE 88 1.605 17.045 4.554 1395 HA PHE 88 HA PHE 88 2.270 18.877 6.681 1396 1HB PHE 88 HB2 PHE 88 1.743 16.626 7.300 1397 2HB PHE 88 HB1 PHE 88 2.929 15.966 6.177 1398 HD1 PHE 88 HD1 PHE 88 3.004 18.616 8.861 1399 HD2 PHE 88 HD2 PHE 88 4.758 15.021 7.285 1400 HE1 PHE 88 HE1 PHE 88 4.721 18.670 10.644 1401 HE2 PHE 88 HE2 PHE 88 6.473 15.078 9.074 1402 HZ PHE 88 HZ PHE 88 6.455 16.902 10.752 1403 H GLU 89 HN GLU 89 4.451 16.825 4.679 1404 HA GLU 89 HA GLU 89 6.751 18.431 5.459 1405 1HB GLU 89 HB2 GLU 89 8.051 16.943 4.140 1406 2HB GLU 89 HB1 GLU 89 6.770 15.947 4.826 1407 1HG GLU 89 HG2 GLU 89 5.484 16.517 2.615 1408 2HG GLU 89 HG1 GLU 89 7.078 16.947 1.999 1409 H HIS 90 HN HIS 90 4.413 19.681 3.963 1410 HA HIS 90 HA HIS 90 5.379 20.406 1.346 1411 1HB HIS 90 HB2 HIS 90 3.001 20.638 2.036 1412 2HB HIS 90 HB1 HIS 90 3.468 21.908 3.165 1413 HD1 HIS 90 HD1 HIS 90 1.931 23.552 1.748 1414 HD2 HIS 90 HD2 HIS 90 5.252 22.061 -0.292 1415 HE1 HIS 90 HE1 HIS 90 2.217 24.997 -0.315 1416 HE2 HIS 90 HE2 HIS 90 4.234 24.097 -1.562 1417 H GLU 91 HN GLU 91 7.434 21.261 1.327 1418 HA GLU 91 HA GLU 91 8.268 23.240 3.336 1419 1HB GLU 91 HB2 GLU 91 9.625 22.073 0.891 1420 2HB GLU 91 HB1 GLU 91 10.377 23.284 1.931 1421 1HG GLU 91 HG2 GLU 91 10.330 21.823 3.825 1422 2HG GLU 91 HG1 GLU 91 9.270 20.678 2.999 Start of MODEL 15 1 1H MET 0 HT1 MET 0 -9.031 8.704 13.910 2 2H MET 0 HT2 MET 0 -9.484 7.782 15.264 3 3H MET 0 HT3 MET 0 -9.950 7.293 13.705 4 HA MET 0 HA MET 0 -7.478 7.153 13.192 5 1HB MET 0 HB2 MET 0 -6.276 6.527 15.444 6 2HB MET 0 HB1 MET 0 -6.456 8.227 15.011 7 1HG MET 0 HG2 MET 0 -8.320 8.507 16.477 8 2HG MET 0 HG1 MET 0 -8.488 6.768 16.710 9 1HE MET 0 HE1 MET 0 -8.645 7.286 19.248 10 2HE MET 0 HE2 MET 0 -8.339 9.003 19.006 11 3HE MET 0 HE3 MET 0 -7.402 8.109 20.200 12 H SER 1 HN SER 1 -8.356 5.277 12.239 13 HA SER 1 HA SER 1 -9.064 3.022 14.080 14 1HB SER 1 HB2 SER 1 -10.024 2.056 11.899 15 2HB SER 1 HB1 SER 1 -10.877 3.415 12.623 16 HG SER 1 HG SER 1 -8.907 3.598 10.583 17 H GLU 2 HN GLU 2 -8.652 0.862 12.692 18 HA GLU 2 HA GLU 2 -5.919 0.273 12.825 19 1HB GLU 2 HB2 GLU 2 -8.097 -0.932 11.104 20 2HB GLU 2 HB1 GLU 2 -6.464 -1.598 11.170 21 1HG GLU 2 HG2 GLU 2 -6.647 -2.010 13.537 22 2HG GLU 2 HG1 GLU 2 -8.170 -1.125 13.625 23 H LEU 3 HN LEU 3 -7.722 1.755 10.205 24 HA LEU 3 HA LEU 3 -5.533 1.509 8.292 25 1HB LEU 3 HB2 LEU 3 -8.247 2.716 8.320 26 2HB LEU 3 HB1 LEU 3 -7.100 3.552 7.281 27 HG LEU 3 HG LEU 3 -7.397 0.547 7.166 28 1HD1 LEU 3 HD11 LEU 3 -8.912 2.491 5.414 29 2HD1 LEU 3 HD12 LEU 3 -9.638 1.673 6.793 30 3HD1 LEU 3 HD13 LEU 3 -9.041 0.739 5.424 31 1HD2 LEU 3 HD21 LEU 3 -6.371 2.683 5.277 32 2HD2 LEU 3 HD22 LEU 3 -6.669 1.024 4.772 33 3HD2 LEU 3 HD23 LEU 3 -5.458 1.362 6.003 34 H GLU 4 HN GLU 4 -6.342 3.743 10.825 35 HA GLU 4 HA GLU 4 -4.615 5.875 9.785 36 1HB GLU 4 HB2 GLU 4 -6.497 6.538 11.154 37 2HB GLU 4 HB1 GLU 4 -5.989 5.471 12.460 38 1HG GLU 4 HG2 GLU 4 -4.111 7.610 11.461 39 2HG GLU 4 HG1 GLU 4 -5.401 8.037 12.579 40 H LYS 5 HN LYS 5 -4.371 3.115 11.900 41 HA LYS 5 HA LYS 5 -1.881 3.857 13.167 42 1HB LYS 5 HB2 LYS 5 -3.498 1.334 12.870 43 2HB LYS 5 HB1 LYS 5 -1.833 1.201 13.435 44 1HG LYS 5 HG2 LYS 5 -2.249 2.418 15.385 45 2HG LYS 5 HG1 LYS 5 -3.662 3.224 14.710 46 1HD LYS 5 HD2 LYS 5 -3.910 0.257 14.909 47 2HD LYS 5 HD1 LYS 5 -3.789 1.089 16.456 48 1HE LYS 5 HE2 LYS 5 -5.700 2.070 14.341 49 2HE LYS 5 HE1 LYS 5 -6.154 0.757 15.425 50 1HZ LYS 5 HZ1 LYS 5 -5.903 3.566 15.959 51 2HZ LYS 5 HZ2 LYS 5 -5.068 2.607 17.086 52 3HZ LYS 5 HZ3 LYS 5 -6.730 2.369 16.831 53 H ALA 6 HN ALA 6 -2.730 1.842 10.360 54 HA ALA 6 HA ALA 6 -0.051 1.092 9.705 55 1HB ALA 6 HB1 ALA 6 -2.248 1.504 7.673 56 2HB ALA 6 HB2 ALA 6 -2.246 0.125 8.769 57 3HB ALA 6 HB3 ALA 6 -0.924 0.341 7.622 58 H MET 7 HN MET 7 -2.086 3.763 8.545 59 HA MET 7 HA MET 7 -0.268 4.888 6.715 60 1HB MET 7 HB2 MET 7 -2.193 6.281 8.607 61 2HB MET 7 HB1 MET 7 -1.360 7.091 7.286 62 1HG MET 7 HG2 MET 7 -2.566 5.926 5.645 63 2HG MET 7 HG1 MET 7 -3.016 4.634 6.758 64 1HE MET 7 HE1 MET 7 -6.538 5.704 6.518 65 2HE MET 7 HE2 MET 7 -5.268 4.534 6.185 66 3HE MET 7 HE3 MET 7 -5.527 5.885 5.080 67 H VAL 8 HN VAL 8 -0.522 5.343 10.231 68 HA VAL 8 HA VAL 8 1.596 7.286 10.406 69 HB VAL 8 HB VAL 8 0.342 5.412 12.426 70 1HG1 VAL 8 HG11 VAL 8 1.525 6.957 14.111 71 2HG1 VAL 8 HG12 VAL 8 2.572 7.425 12.770 72 3HG1 VAL 8 HG13 VAL 8 2.526 5.745 13.309 73 1HG2 VAL 8 HG21 VAL 8 -0.750 7.415 13.212 74 2HG2 VAL 8 HG22 VAL 8 -0.954 7.361 11.460 75 3HG2 VAL 8 HG23 VAL 8 0.253 8.431 12.176 76 H ALA 9 HN ALA 9 1.571 3.787 11.094 77 HA ALA 9 HA ALA 9 4.319 3.535 11.707 78 1HB ALA 9 HB1 ALA 9 2.901 1.664 12.130 79 2HB ALA 9 HB2 ALA 9 4.021 1.145 10.872 80 3HB ALA 9 HB3 ALA 9 2.371 1.597 10.449 81 H LEU 10 HN LEU 10 2.721 3.762 8.552 82 HA LEU 10 HA LEU 10 5.135 2.969 7.106 83 1HB LEU 10 HB2 LEU 10 2.418 4.014 6.366 84 2HB LEU 10 HB1 LEU 10 3.693 4.007 5.150 85 HG LEU 10 HG LEU 10 3.374 1.469 6.716 86 1HD1 LEU 10 HD11 LEU 10 1.266 2.535 4.854 87 2HD1 LEU 10 HD12 LEU 10 1.064 1.763 6.422 88 3HD1 LEU 10 HD13 LEU 10 1.531 0.800 5.021 89 1HD2 LEU 10 HD21 LEU 10 3.793 0.489 4.479 90 2HD2 LEU 10 HD22 LEU 10 5.020 1.688 4.889 91 3HD2 LEU 10 HD23 LEU 10 3.727 2.100 3.763 92 H ILE 11 HN ILE 11 3.505 6.092 7.694 93 HA ILE 11 HA ILE 11 5.085 7.793 6.167 94 HB ILE 11 HB ILE 11 3.918 8.201 8.933 95 1HG1 ILE 11 HG12 ILE 11 3.154 9.384 6.253 96 2HG1 ILE 11 HG11 ILE 11 2.461 7.892 6.877 97 1HG2 ILE 11 HG21 ILE 11 5.707 9.781 8.864 98 2HG2 ILE 11 HG22 ILE 11 4.278 10.686 8.361 99 3HG2 ILE 11 HG23 ILE 11 5.437 10.124 7.155 100 1HD1 ILE 11 HD11 ILE 11 0.968 9.695 7.469 101 2HD1 ILE 11 HD12 ILE 11 2.300 10.639 8.136 102 3HD1 ILE 11 HD13 ILE 11 1.776 9.161 8.943 103 H ASP 12 HN ASP 12 5.932 6.209 9.213 104 HA ASP 12 HA ASP 12 8.394 7.706 9.555 105 1HB ASP 12 HB2 ASP 12 7.575 5.033 10.727 106 2HB ASP 12 HB1 ASP 12 8.914 6.036 11.286 107 H VAL 13 HN VAL 13 7.730 4.354 8.482 108 HA VAL 13 HA VAL 13 10.506 3.994 7.679 109 HB VAL 13 HB VAL 13 8.199 2.260 6.759 110 1HG1 VAL 13 HG11 VAL 13 10.312 1.622 5.819 111 2HG1 VAL 13 HG12 VAL 13 9.990 0.491 7.134 112 3HG1 VAL 13 HG13 VAL 13 11.134 1.808 7.367 113 1HG2 VAL 13 HG21 VAL 13 9.532 2.365 9.478 114 2HG2 VAL 13 HG22 VAL 13 8.611 0.974 8.906 115 3HG2 VAL 13 HG23 VAL 13 7.815 2.532 9.121 116 H PHE 14 HN PHE 14 7.596 5.164 6.195 117 HA PHE 14 HA PHE 14 8.446 4.769 3.448 118 1HB PHE 14 HB2 PHE 14 6.124 5.134 3.706 119 2HB PHE 14 HB1 PHE 14 6.377 6.528 4.745 120 HD1 PHE 14 HD1 PHE 14 5.577 8.465 3.707 121 HD2 PHE 14 HD2 PHE 14 7.742 5.575 1.378 122 HE1 PHE 14 HE1 PHE 14 5.479 9.970 1.746 123 HE2 PHE 14 HE2 PHE 14 7.646 7.088 -0.583 124 HZ PHE 14 HZ PHE 14 6.515 9.286 -0.398 125 H HIS 15 HN HIS 15 8.656 7.583 5.644 126 HA HIS 15 HA HIS 15 9.999 9.187 3.632 127 1HB HIS 15 HB2 HIS 15 8.573 9.902 5.736 128 2HB HIS 15 HB1 HIS 15 10.119 9.827 6.572 129 HD1 HIS 15 HD1 HIS 15 8.976 12.548 6.453 130 HD2 HIS 15 HD2 HIS 15 11.272 11.074 3.296 131 HE1 HIS 15 HE1 HIS 15 9.813 14.560 5.170 132 H GLN 16 HN GLN 16 11.097 7.235 6.391 133 HA GLN 16 HA GLN 16 13.806 8.194 6.354 134 1HB GLN 16 HB2 GLN 16 12.535 5.660 7.398 135 2HB GLN 16 HB1 GLN 16 14.261 5.988 7.568 136 1HG GLN 16 HG2 GLN 16 13.832 7.994 8.833 137 2HG GLN 16 HG1 GLN 16 12.103 7.899 8.495 138 1HE2 GLN 16 HE21 GLN 16 13.714 4.874 9.127 139 2HE2 GLN 16 HE22 GLN 16 13.131 4.661 10.707 140 H TYR 17 HN TYR 17 12.269 5.402 4.745 141 HA TYR 17 HA TYR 17 14.851 4.667 3.510 142 1HB TYR 17 HB2 TYR 17 12.063 3.514 3.433 143 2HB TYR 17 HB1 TYR 17 13.284 2.989 2.271 144 HD1 TYR 17 HD1 TYR 17 15.169 1.642 2.944 145 HD2 TYR 17 HD2 TYR 17 12.435 3.181 5.880 146 HE1 TYR 17 HE1 TYR 17 16.193 0.177 4.664 147 HE2 TYR 17 HE2 TYR 17 13.459 1.715 7.599 148 HH TYR 17 HH TYR 17 15.272 0.415 8.063 149 H SER 18 HN SER 18 11.626 5.572 2.179 150 HA SER 18 HA SER 18 12.520 6.037 -0.463 151 1HB SER 18 HB2 SER 18 10.507 7.840 0.899 152 2HB SER 18 HB1 SER 18 10.551 7.319 -0.782 153 HG SER 18 HG SER 18 9.440 5.641 -0.210 154 H GLY 19 HN GLY 19 13.158 7.740 2.473 155 1HA GLY 19 HA2 GLY 19 14.179 10.149 1.059 156 2HA GLY 19 HA1 GLY 19 13.926 10.016 2.787 157 H ARG 20 HN ARG 20 15.432 7.192 1.748 158 HA ARG 20 HA ARG 20 17.914 7.952 3.039 159 1HB ARG 20 HB2 ARG 20 16.890 5.634 3.029 160 2HB ARG 20 HB1 ARG 20 17.417 5.500 1.354 161 1HG ARG 20 HG2 ARG 20 19.762 6.124 2.227 162 2HG ARG 20 HG1 ARG 20 19.120 5.776 3.833 163 1HD ARG 20 HD2 ARG 20 18.368 3.521 2.895 164 2HD ARG 20 HD1 ARG 20 19.362 3.885 1.484 165 HE ARG 20 HE ARG 20 21.259 3.381 2.784 166 1HH1 ARG 20 HH21 ARG 20 18.521 4.126 4.741 167 2HH1 ARG 20 HH22 ARG 20 19.308 3.722 6.230 168 1HH2 ARG 20 HH11 ARG 20 22.303 2.846 4.716 169 2HH2 ARG 20 HH12 ARG 20 21.450 2.996 6.217 170 H GLU 21 HN GLU 21 17.085 7.113 -0.355 171 HA GLU 21 HA GLU 21 19.510 8.663 -1.217 172 1HB GLU 21 HB2 GLU 21 20.221 6.402 -1.337 173 2HB GLU 21 HB1 GLU 21 18.660 5.852 -1.940 174 1HG GLU 21 HG2 GLU 21 19.065 6.651 -4.107 175 2HG GLU 21 HG1 GLU 21 20.294 7.792 -3.564 176 H GLY 22 HN GLY 22 19.373 9.317 -3.536 177 1HA GLY 22 HA2 GLY 22 18.185 9.956 -5.492 178 2HA GLY 22 HA1 GLY 22 16.738 9.201 -4.825 179 H ASP 23 HN ASP 23 15.928 11.390 -5.783 180 HA ASP 23 HA ASP 23 16.448 13.774 -4.186 181 1HB ASP 23 HB2 ASP 23 14.100 13.246 -6.033 182 2HB ASP 23 HB1 ASP 23 14.723 14.816 -5.523 183 H LYS 24 HN LYS 24 15.677 11.426 -2.728 184 HA LYS 24 HA LYS 24 14.207 10.623 -1.155 185 1HB LYS 24 HB2 LYS 24 13.459 12.299 0.489 186 2HB LYS 24 HB1 LYS 24 15.144 12.527 0.040 187 1HG LYS 24 HG2 LYS 24 14.589 14.394 -1.376 188 2HG LYS 24 HG1 LYS 24 12.860 14.072 -1.214 189 1HD LYS 24 HD2 LYS 24 13.017 14.534 1.211 190 2HD LYS 24 HD1 LYS 24 14.738 14.866 1.031 191 1HE LYS 24 HE2 LYS 24 12.693 16.367 -0.605 192 2HE LYS 24 HE1 LYS 24 13.125 16.891 1.023 193 1HZ LYS 24 HZ1 LYS 24 14.635 17.055 -1.421 194 2HZ LYS 24 HZ2 LYS 24 15.528 16.438 -0.113 195 3HZ LYS 24 HZ3 LYS 24 14.781 17.959 0.007 196 H HIS 25 HN HIS 25 11.926 10.823 -0.197 197 HA HIS 25 HA HIS 25 9.627 10.637 -0.560 198 1HB HIS 25 HB2 HIS 25 9.939 12.549 -2.884 199 2HB HIS 25 HB1 HIS 25 8.505 12.252 -1.909 200 HD2 HIS 25 HD2 HIS 25 10.377 15.212 -2.139 201 HE1 HIS 25 HE1 HIS 25 10.589 14.574 2.025 202 HE2 HIS 25 HE2 HIS 25 10.884 16.284 0.182 203 H LYS 26 HN LYS 26 11.961 9.585 -2.618 204 HA LYS 26 HA LYS 26 9.989 8.086 -4.296 205 1HB LYS 26 HB2 LYS 26 12.618 9.401 -4.974 206 2HB LYS 26 HB1 LYS 26 12.096 7.986 -5.886 207 1HG LYS 26 HG2 LYS 26 10.182 10.277 -5.476 208 2HG LYS 26 HG1 LYS 26 11.426 10.399 -6.717 209 1HD LYS 26 HD2 LYS 26 10.533 8.666 -7.997 210 2HD LYS 26 HD1 LYS 26 9.762 7.895 -6.613 211 1HE LYS 26 HE2 LYS 26 8.011 9.489 -6.558 212 2HE LYS 26 HE1 LYS 26 8.879 10.597 -7.621 213 1HZ LYS 26 HZ1 LYS 26 7.892 7.910 -8.409 214 2HZ LYS 26 HZ2 LYS 26 8.660 9.036 -9.423 215 3HZ LYS 26 HZ3 LYS 26 7.122 9.373 -8.783 216 H LEU 27 HN LEU 27 10.393 5.884 -4.421 217 HA LEU 27 HA LEU 27 12.310 4.822 -2.447 218 1HB LEU 27 HB2 LEU 27 9.872 4.019 -2.780 219 2HB LEU 27 HB1 LEU 27 10.475 3.193 -4.208 220 HG LEU 27 HG LEU 27 10.402 1.709 -2.231 221 1HD1 LEU 27 HD11 LEU 27 13.272 2.148 -2.864 222 2HD1 LEU 27 HD12 LEU 27 12.164 1.569 -4.092 223 3HD1 LEU 27 HD13 LEU 27 12.416 0.640 -2.616 224 1HD2 LEU 27 HD21 LEU 27 11.049 3.738 -0.672 225 2HD2 LEU 27 HD22 LEU 27 12.683 3.158 -0.970 226 3HD2 LEU 27 HD23 LEU 27 11.496 2.090 -0.237 227 H LYS 28 HN LYS 28 14.314 4.262 -3.014 228 HA LYS 28 HA LYS 28 14.969 3.727 -5.874 229 1HB LYS 28 HB2 LYS 28 17.089 4.075 -3.774 230 2HB LYS 28 HB1 LYS 28 17.063 4.641 -5.440 231 1HG LYS 28 HG2 LYS 28 15.322 5.816 -3.242 232 2HG LYS 28 HG1 LYS 28 16.872 6.459 -3.704 233 1HD LYS 28 HD2 LYS 28 14.607 6.067 -5.664 234 2HD LYS 28 HD1 LYS 28 14.912 7.586 -4.822 235 1HE LYS 28 HE2 LYS 28 16.145 7.997 -6.732 236 2HE LYS 28 HE1 LYS 28 17.394 7.167 -5.806 237 1HZ LYS 28 HZ1 LYS 28 17.468 5.775 -7.530 238 2HZ LYS 28 HZ2 LYS 28 15.999 6.332 -8.174 239 3HZ LYS 28 HZ3 LYS 28 16.002 5.142 -6.963 240 H LYS 29 HN LYS 29 16.154 1.777 -6.393 241 HA LYS 29 HA LYS 29 15.517 -0.590 -5.074 242 1HB LYS 29 HB2 LYS 29 18.050 0.083 -6.596 243 2HB LYS 29 HB1 LYS 29 17.592 -1.555 -6.131 244 1HG LYS 29 HG2 LYS 29 15.353 -1.062 -7.339 245 2HG LYS 29 HG1 LYS 29 16.196 0.307 -8.059 246 1HD LYS 29 HD2 LYS 29 17.204 -2.551 -8.193 247 2HD LYS 29 HD1 LYS 29 16.246 -1.791 -9.460 248 1HE LYS 29 HE2 LYS 29 18.979 -0.920 -8.481 249 2HE LYS 29 HE1 LYS 29 18.577 -1.581 -10.066 250 1HZ LYS 29 HZ1 LYS 29 18.474 0.595 -10.587 251 2HZ LYS 29 HZ2 LYS 29 18.133 1.089 -8.998 252 3HZ LYS 29 HZ3 LYS 29 16.897 0.457 -9.977 253 H SER 30 HN SER 30 18.440 1.389 -4.528 254 HA SER 30 HA SER 30 19.697 -0.193 -2.578 255 1HB SER 30 HB2 SER 30 19.533 2.814 -2.852 256 2HB SER 30 HB1 SER 30 20.541 2.027 -1.640 257 HG SER 30 HG SER 30 21.868 1.379 -3.163 258 H GLU 31 HN GLU 31 16.666 1.250 -2.394 259 HA GLU 31 HA GLU 31 16.654 1.156 0.625 260 1HB GLU 31 HB2 GLU 31 14.864 2.532 -1.355 261 2HB GLU 31 HB1 GLU 31 14.365 2.266 0.308 262 1HG GLU 31 HG2 GLU 31 15.843 3.820 1.138 263 2HG GLU 31 HG1 GLU 31 17.078 3.450 -0.064 264 H LEU 32 HN LEU 32 15.103 -0.028 -2.297 265 HA LEU 32 HA LEU 32 13.202 -1.678 -0.942 266 1HB LEU 32 HB2 LEU 32 13.682 -1.054 -3.591 267 2HB LEU 32 HB1 LEU 32 14.244 -2.717 -3.529 268 HG LEU 32 HG LEU 32 11.519 -1.807 -2.545 269 1HD1 LEU 32 HD11 LEU 32 10.836 -3.207 -4.667 270 2HD1 LEU 32 HD12 LEU 32 12.467 -2.825 -5.218 271 3HD1 LEU 32 HD13 LEU 32 11.333 -1.526 -4.860 272 1HD2 LEU 32 HD21 LEU 32 12.285 -3.836 -1.450 273 2HD2 LEU 32 HD22 LEU 32 12.780 -4.530 -2.993 274 3HD2 LEU 32 HD23 LEU 32 11.069 -4.279 -2.648 275 H LYS 33 HN LYS 33 16.261 -2.647 -2.528 276 HA LYS 33 HA LYS 33 16.358 -5.224 -1.362 277 1HB LYS 33 HB2 LYS 33 17.749 -4.212 -3.255 278 2HB LYS 33 HB1 LYS 33 18.751 -3.497 -1.993 279 1HG LYS 33 HG2 LYS 33 19.140 -5.773 -1.053 280 2HG LYS 33 HG1 LYS 33 18.198 -6.451 -2.380 281 1HD LYS 33 HD2 LYS 33 20.323 -6.628 -3.300 282 2HD LYS 33 HD1 LYS 33 19.885 -5.018 -3.872 283 1HE LYS 33 HE2 LYS 33 20.997 -4.091 -1.785 284 2HE LYS 33 HE1 LYS 33 21.603 -5.716 -1.473 285 1HZ LYS 33 HZ1 LYS 33 22.385 -5.517 -3.938 286 2HZ LYS 33 HZ2 LYS 33 23.311 -4.844 -2.682 287 3HZ LYS 33 HZ3 LYS 33 22.304 -3.852 -3.625 288 H GLU 34 HN GLU 34 17.555 -2.090 -0.189 289 HA GLU 34 HA GLU 34 18.819 -3.276 2.164 290 1HB GLU 34 HB2 GLU 34 19.536 -1.094 1.167 291 2HB GLU 34 HB1 GLU 34 18.042 -0.378 1.782 292 1HG GLU 34 HG2 GLU 34 18.670 -0.923 4.066 293 2HG GLU 34 HG1 GLU 34 20.099 -1.788 3.501 294 H LEU 35 HN LEU 35 15.648 -1.931 1.483 295 HA LEU 35 HA LEU 35 14.865 -1.791 4.284 296 1HB LEU 35 HB2 LEU 35 13.728 -0.393 2.623 297 2HB LEU 35 HB1 LEU 35 13.229 -1.826 1.725 298 HG LEU 35 HG LEU 35 11.905 -2.572 3.727 299 1HD1 LEU 35 HD11 LEU 35 11.415 -0.662 5.385 300 2HD1 LEU 35 HD12 LEU 35 12.888 0.083 4.771 301 3HD1 LEU 35 HD13 LEU 35 12.960 -1.491 5.562 302 1HD2 LEU 35 HD21 LEU 35 10.100 -0.962 3.395 303 2HD2 LEU 35 HD22 LEU 35 10.892 -1.297 1.856 304 3HD2 LEU 35 HD23 LEU 35 11.237 0.204 2.714 305 H ILE 36 HN ILE 36 14.731 -4.157 1.702 306 HA ILE 36 HA ILE 36 12.978 -6.028 3.017 307 HB ILE 36 HB ILE 36 15.111 -6.502 0.927 308 1HG1 ILE 36 HG12 ILE 36 12.900 -4.865 0.648 309 2HG1 ILE 36 HG11 ILE 36 13.658 -5.726 -0.683 310 1HG2 ILE 36 HG21 ILE 36 13.572 -8.485 0.409 311 2HG2 ILE 36 HG22 ILE 36 12.832 -8.181 1.976 312 3HG2 ILE 36 HG23 ILE 36 14.542 -8.595 1.875 313 1HD1 ILE 36 HD11 ILE 36 11.179 -5.997 -0.579 314 2HD1 ILE 36 HD12 ILE 36 11.365 -6.811 0.970 315 3HD1 ILE 36 HD13 ILE 36 12.040 -7.531 -0.491 316 H ASN 37 HN ASN 37 16.523 -5.724 2.809 317 HA ASN 37 HA ASN 37 16.936 -8.039 4.558 318 1HB ASN 37 HB2 ASN 37 18.512 -7.619 2.746 319 2HB ASN 37 HB1 ASN 37 18.861 -6.013 3.388 320 1HD2 ASN 37 HD21 ASN 37 20.070 -9.126 3.336 321 2HD2 ASN 37 HD22 ASN 37 20.970 -9.094 4.774 322 H ASN 38 HN ASN 38 16.773 -4.548 4.925 323 HA ASN 38 HA ASN 38 18.122 -4.647 7.544 324 1HB ASN 38 HB2 ASN 38 18.353 -2.703 5.994 325 2HB ASN 38 HB1 ASN 38 16.649 -2.335 6.264 326 1HD2 ASN 38 HD21 ASN 38 17.446 -0.242 7.235 327 2HD2 ASN 38 HD22 ASN 38 17.996 -0.239 8.841 328 H GLU 39 HN GLU 39 14.758 -3.906 6.477 329 HA GLU 39 HA GLU 39 13.931 -4.117 9.344 330 1HB GLU 39 HB2 GLU 39 13.328 -2.103 7.880 331 2HB GLU 39 HB1 GLU 39 12.227 -3.184 7.029 332 1HG GLU 39 HG2 GLU 39 10.914 -3.561 8.976 333 2HG GLU 39 HG1 GLU 39 12.145 -2.884 10.041 334 H LEU 40 HN LEU 40 12.645 -5.151 6.149 335 HA LEU 40 HA LEU 40 10.980 -7.173 7.429 336 1HB LEU 40 HB2 LEU 40 11.649 -7.230 4.491 337 2HB LEU 40 HB1 LEU 40 10.142 -7.651 5.296 338 HG LEU 40 HG LEU 40 11.233 -4.825 5.105 339 1HD1 LEU 40 HD11 LEU 40 9.182 -6.299 3.441 340 2HD1 LEU 40 HD12 LEU 40 10.686 -5.565 2.886 341 3HD1 LEU 40 HD13 LEU 40 9.359 -4.545 3.442 342 1HD2 LEU 40 HD21 LEU 40 9.074 -6.044 6.653 343 2HD2 LEU 40 HD22 LEU 40 8.423 -4.858 5.525 344 3HD2 LEU 40 HD23 LEU 40 9.665 -4.383 6.683 345 H SER 41 HN SER 41 13.869 -7.355 7.990 346 HA SER 41 HA SER 41 14.790 -9.702 6.473 347 1HB SER 41 HB2 SER 41 16.432 -9.122 8.788 348 2HB SER 41 HB1 SER 41 16.821 -8.894 7.087 349 HG SER 41 HG SER 41 16.818 -6.941 8.337 350 H HIS 42 HN HIS 42 12.962 -9.124 9.353 351 HA HIS 42 HA HIS 42 13.646 -11.813 10.456 352 1HB HIS 42 HB2 HIS 42 11.925 -9.605 11.624 353 2HB HIS 42 HB1 HIS 42 12.434 -11.080 12.447 354 HD1 HIS 42 HD1 HIS 42 15.203 -11.366 12.506 355 HD2 HIS 42 HD2 HIS 42 13.680 -7.511 12.036 356 HE1 HIS 42 HE1 HIS 42 17.074 -9.773 13.130 357 HE2 HIS 42 HE2 HIS 42 16.158 -7.426 12.845 358 H PHE 43 HN PHE 43 11.187 -10.109 8.707 359 HA PHE 43 HA PHE 43 9.231 -12.329 9.177 360 1HB PHE 43 HB2 PHE 43 8.764 -9.704 9.468 361 2HB PHE 43 HB1 PHE 43 8.490 -9.798 7.731 362 HD1 PHE 43 HD1 PHE 43 7.498 -11.332 10.990 363 HD2 PHE 43 HD2 PHE 43 6.445 -10.648 6.882 364 HE1 PHE 43 HE1 PHE 43 5.236 -12.255 11.417 365 HE2 PHE 43 HE2 PHE 43 4.184 -11.572 7.309 366 HZ PHE 43 HZ PHE 43 3.579 -12.374 9.575 367 H LEU 44 HN LEU 44 10.622 -10.319 6.584 368 HA LEU 44 HA LEU 44 9.743 -12.360 4.598 369 1HB LEU 44 HB2 LEU 44 9.206 -10.027 4.071 370 2HB LEU 44 HB1 LEU 44 10.897 -9.578 4.259 371 HG LEU 44 HG LEU 44 11.528 -10.952 2.350 372 1HD1 LEU 44 HD11 LEU 44 9.500 -11.897 0.978 373 2HD1 LEU 44 HD12 LEU 44 8.655 -11.847 2.525 374 3HD1 LEU 44 HD13 LEU 44 10.113 -12.822 2.345 375 1HD2 LEU 44 HD21 LEU 44 9.066 -9.453 1.448 376 2HD2 LEU 44 HD22 LEU 44 10.645 -9.555 0.671 377 3HD2 LEU 44 HD23 LEU 44 10.441 -8.582 2.125 378 H GLU 45 HN GLU 45 11.246 -13.592 3.505 379 HA GLU 45 HA GLU 45 13.714 -14.247 4.601 380 1HB GLU 45 HB2 GLU 45 13.052 -14.247 1.639 381 2HB GLU 45 HB1 GLU 45 14.314 -15.200 2.417 382 1HG GLU 45 HG2 GLU 45 11.379 -15.397 3.141 383 2HG GLU 45 HG1 GLU 45 12.179 -16.473 1.994 384 H GLU 46 HN GLU 46 15.640 -13.235 4.749 385 HA GLU 46 HA GLU 46 16.038 -10.543 3.974 386 1HB GLU 46 HB2 GLU 46 18.338 -12.471 4.323 387 2HB GLU 46 HB1 GLU 46 18.243 -10.771 4.776 388 1HG GLU 46 HG2 GLU 46 17.960 -11.793 6.855 389 2HG GLU 46 HG1 GLU 46 16.282 -11.598 6.353 390 H ILE 47 HN ILE 47 15.782 -10.055 1.795 391 HA ILE 47 HA ILE 47 16.772 -11.719 -0.336 392 HB ILE 47 HB ILE 47 15.803 -8.864 -0.141 393 1HG1 ILE 47 HG12 ILE 47 14.915 -11.295 -1.736 394 2HG1 ILE 47 HG11 ILE 47 14.174 -10.724 -0.246 395 1HG2 ILE 47 HG21 ILE 47 17.149 -10.138 -2.541 396 2HG2 ILE 47 HG22 ILE 47 17.577 -8.622 -1.749 397 3HG2 ILE 47 HG23 ILE 47 16.090 -8.736 -2.672 398 1HD1 ILE 47 HD11 ILE 47 12.773 -9.554 -1.592 399 2HD1 ILE 47 HD12 ILE 47 13.813 -9.765 -2.998 400 3HD1 ILE 47 HD13 ILE 47 14.127 -8.453 -1.860 401 H LYS 48 HN LYS 48 18.844 -11.980 -0.966 402 HA LYS 48 HA LYS 48 20.884 -9.932 -0.143 403 1HB LYS 48 HB2 LYS 48 21.190 -12.905 -0.685 404 2HB LYS 48 HB1 LYS 48 22.523 -11.803 -0.343 405 1HG LYS 48 HG2 LYS 48 21.178 -11.196 1.807 406 2HG LYS 48 HG1 LYS 48 20.296 -12.690 1.491 407 1HD LYS 48 HD2 LYS 48 23.295 -12.424 1.868 408 2HD LYS 48 HD1 LYS 48 22.158 -13.143 3.009 409 1HE LYS 48 HE2 LYS 48 21.523 -14.754 1.112 410 2HE LYS 48 HE1 LYS 48 22.973 -14.177 0.290 411 1HZ LYS 48 HZ1 LYS 48 22.725 -15.935 2.551 412 2HZ LYS 48 HZ2 LYS 48 23.853 -14.687 2.794 413 3HZ LYS 48 HZ3 LYS 48 24.016 -15.736 1.468 414 H GLU 49 HN GLU 49 19.368 -11.633 -2.739 415 HA GLU 49 HA GLU 49 21.415 -10.728 -4.705 416 1HB GLU 49 HB2 GLU 49 20.363 -13.085 -4.714 417 2HB GLU 49 HB1 GLU 49 18.898 -12.299 -5.300 418 1HG GLU 49 HG2 GLU 49 20.028 -12.941 -7.278 419 2HG GLU 49 HG1 GLU 49 20.420 -11.231 -7.102 420 H GLN 50 HN GLN 50 20.796 -9.330 -6.448 421 HA GLN 50 HA GLN 50 18.534 -7.529 -5.770 422 1HB GLN 50 HB2 GLN 50 20.748 -6.548 -6.305 423 2HB GLN 50 HB1 GLN 50 20.679 -7.288 -7.905 424 1HG GLN 50 HG2 GLN 50 18.729 -5.987 -8.498 425 2HG GLN 50 HG1 GLN 50 18.587 -5.368 -6.852 426 1HE2 GLN 50 HE21 GLN 50 19.328 -3.251 -6.742 427 2HE2 GLN 50 HE22 GLN 50 20.651 -2.631 -7.606 428 H GLU 51 HN GLU 51 19.491 -9.900 -8.162 429 HA GLU 51 HA GLU 51 17.827 -9.272 -10.302 430 1HB GLU 51 HB2 GLU 51 19.444 -11.137 -10.332 431 2HB GLU 51 HB1 GLU 51 18.420 -12.036 -9.211 432 1HG GLU 51 HG2 GLU 51 16.641 -12.179 -10.823 433 2HG GLU 51 HG1 GLU 51 17.451 -11.044 -11.903 434 H VAL 52 HN VAL 52 16.910 -10.614 -7.178 435 HA VAL 52 HA VAL 52 14.240 -11.319 -8.100 436 HB VAL 52 HB VAL 52 15.114 -12.489 -6.152 437 1HG1 VAL 52 HG11 VAL 52 15.255 -9.754 -4.849 438 2HG1 VAL 52 HG12 VAL 52 16.643 -10.691 -5.399 439 3HG1 VAL 52 HG13 VAL 52 15.643 -11.290 -4.076 440 1HG2 VAL 52 HG21 VAL 52 12.637 -11.791 -6.290 441 2HG2 VAL 52 HG22 VAL 52 13.038 -10.563 -5.089 442 3HG2 VAL 52 HG23 VAL 52 13.239 -12.272 -4.705 443 H VAL 53 HN VAL 53 15.778 -8.560 -6.562 444 HA VAL 53 HA VAL 53 13.295 -7.128 -6.211 445 HB VAL 53 HB VAL 53 16.002 -6.703 -5.493 446 1HG1 VAL 53 HG11 VAL 53 16.521 -4.441 -6.260 447 2HG1 VAL 53 HG12 VAL 53 15.049 -4.406 -7.227 448 3HG1 VAL 53 HG13 VAL 53 16.355 -5.516 -7.649 449 1HG2 VAL 53 HG21 VAL 53 14.039 -6.155 -4.124 450 2HG2 VAL 53 HG22 VAL 53 13.640 -4.830 -5.216 451 3HG2 VAL 53 HG23 VAL 53 15.116 -4.764 -4.254 452 H ASP 54 HN ASP 54 15.404 -7.869 -8.818 453 HA ASP 54 HA ASP 54 14.426 -5.756 -10.597 454 1HB ASP 54 HB2 ASP 54 16.649 -6.998 -10.868 455 2HB ASP 54 HB1 ASP 54 15.703 -8.384 -11.413 456 H LYS 55 HN LYS 55 13.653 -9.071 -9.760 457 HA LYS 55 HA LYS 55 11.613 -9.357 -11.839 458 1HB LYS 55 HB2 LYS 55 12.672 -11.373 -11.073 459 2HB LYS 55 HB1 LYS 55 12.336 -10.986 -9.389 460 1HG LYS 55 HG2 LYS 55 9.920 -11.115 -11.128 461 2HG LYS 55 HG1 LYS 55 10.766 -12.646 -10.937 462 1HD LYS 55 HD2 LYS 55 10.451 -12.691 -8.609 463 2HD LYS 55 HD1 LYS 55 10.143 -10.960 -8.519 464 1HE LYS 55 HE2 LYS 55 7.978 -11.191 -9.485 465 2HE LYS 55 HE1 LYS 55 8.308 -12.845 -10.005 466 1HZ LYS 55 HZ1 LYS 55 7.119 -13.216 -8.109 467 2HZ LYS 55 HZ2 LYS 55 7.691 -11.822 -7.326 468 3HZ LYS 55 HZ3 LYS 55 8.686 -13.192 -7.461 469 H VAL 56 HN VAL 56 11.577 -8.899 -8.285 470 HA VAL 56 HA VAL 56 8.780 -8.718 -7.962 471 HB VAL 56 HB VAL 56 10.841 -8.532 -6.222 472 1HG1 VAL 56 HG11 VAL 56 11.105 -6.336 -5.294 473 2HG1 VAL 56 HG12 VAL 56 9.825 -5.681 -6.314 474 3HG1 VAL 56 HG13 VAL 56 11.354 -6.179 -7.028 475 1HG2 VAL 56 HG21 VAL 56 8.610 -9.052 -5.495 476 2HG2 VAL 56 HG22 VAL 56 8.045 -7.424 -5.871 477 3HG2 VAL 56 HG23 VAL 56 9.159 -7.683 -4.529 478 H MET 57 HN MET 57 11.127 -6.279 -8.968 479 HA MET 57 HA MET 57 9.288 -4.083 -9.127 480 1HB MET 57 HB2 MET 57 11.894 -4.703 -10.532 481 2HB MET 57 HB1 MET 57 11.000 -3.212 -10.832 482 1HG MET 57 HG2 MET 57 11.664 -4.056 -8.013 483 2HG MET 57 HG1 MET 57 12.845 -3.193 -8.997 484 1HE MET 57 HE1 MET 57 12.986 -1.128 -7.419 485 2HE MET 57 HE2 MET 57 12.111 0.244 -8.106 486 3HE MET 57 HE3 MET 57 13.018 -0.833 -9.165 487 H GLU 58 HN GLU 58 9.956 -6.808 -11.220 488 HA GLU 58 HA GLU 58 8.736 -5.763 -13.604 489 1HB GLU 58 HB2 GLU 58 10.187 -7.871 -13.391 490 2HB GLU 58 HB1 GLU 58 8.739 -8.674 -12.780 491 1HG GLU 58 HG2 GLU 58 7.557 -7.827 -14.886 492 2HG GLU 58 HG1 GLU 58 9.161 -7.424 -15.500 493 H THR 59 HN THR 59 7.504 -7.456 -10.768 494 HA THR 59 HA THR 59 4.780 -7.557 -11.863 495 HB THR 59 HB THR 59 5.760 -8.134 -9.053 496 HG1 THR 59 HG1 THR 59 6.713 -9.575 -10.411 497 1HG2 THR 59 HG21 THR 59 3.164 -8.597 -10.524 498 2HG2 THR 59 HG22 THR 59 3.411 -7.783 -8.979 499 3HG2 THR 59 HG23 THR 59 3.605 -9.533 -9.095 500 H LEU 60 HN LEU 60 6.700 -5.503 -9.748 501 HA LEU 60 HA LEU 60 4.262 -3.982 -8.963 502 1HB LEU 60 HB2 LEU 60 7.098 -4.077 -8.006 503 2HB LEU 60 HB1 LEU 60 6.181 -2.601 -7.722 504 HG LEU 60 HG LEU 60 6.046 -4.223 -5.842 505 1HD1 LEU 60 HD11 LEU 60 3.866 -3.657 -5.343 506 2HD1 LEU 60 HD12 LEU 60 3.241 -4.182 -6.904 507 3HD1 LEU 60 HD13 LEU 60 4.056 -2.626 -6.756 508 1HD2 LEU 60 HD21 LEU 60 5.039 -6.347 -6.063 509 2HD2 LEU 60 HD22 LEU 60 6.067 -6.223 -7.490 510 3HD2 LEU 60 HD23 LEU 60 4.329 -5.945 -7.625 511 H ASP 61 HN ASP 61 7.412 -3.257 -10.701 512 HA ASP 61 HA ASP 61 6.775 -0.559 -11.214 513 1HB ASP 61 HB2 ASP 61 8.966 -1.785 -11.640 514 2HB ASP 61 HB1 ASP 61 8.223 -2.409 -13.113 515 H GLU 62 HN GLU 62 4.576 -0.450 -11.682 516 HA GLU 62 HA GLU 62 3.594 -1.773 -14.145 517 1HB GLU 62 HB2 GLU 62 2.184 -1.606 -12.023 518 2HB GLU 62 HB1 GLU 62 2.066 0.123 -12.342 519 1HG GLU 62 HG2 GLU 62 0.109 -0.972 -13.279 520 2HG GLU 62 HG1 GLU 62 1.127 -0.412 -14.606 521 H ASP 63 HN ASP 63 4.572 1.354 -12.937 522 HA ASP 63 HA ASP 63 3.652 2.748 -15.360 523 1HB ASP 63 HB2 ASP 63 4.843 4.695 -14.365 524 2HB ASP 63 HB1 ASP 63 3.717 3.969 -13.218 525 H GLY 64 HN GLY 64 6.136 0.668 -14.561 526 1HA GLY 64 HA2 GLY 64 8.125 0.094 -15.665 527 2HA GLY 64 HA1 GLY 64 7.507 1.008 -17.043 528 H ASP 65 HN ASP 65 8.317 2.088 -13.739 529 HA ASP 65 HA ASP 65 10.056 4.199 -14.972 530 1HB ASP 65 HB2 ASP 65 9.830 5.333 -12.781 531 2HB ASP 65 HB1 ASP 65 8.257 5.018 -13.515 532 H GLY 66 HN GLY 66 10.265 1.197 -13.465 533 1HA GLY 66 HA2 GLY 66 12.177 0.044 -12.680 534 2HA GLY 66 HA1 GLY 66 13.148 1.431 -13.183 535 H GLU 67 HN GLU 67 10.831 2.796 -11.444 536 HA GLU 67 HA GLU 67 12.227 2.477 -8.805 537 1HB GLU 67 HB2 GLU 67 11.193 4.951 -10.216 538 2HB GLU 67 HB1 GLU 67 11.396 4.913 -8.464 539 1HG GLU 67 HG2 GLU 67 13.785 4.211 -8.819 540 2HG GLU 67 HG1 GLU 67 13.548 4.456 -10.550 541 H CYS 68 HN CYS 68 10.616 3.201 -6.997 542 HA CYS 68 HA CYS 68 7.827 2.382 -7.755 543 1HB CYS 68 HB2 CYS 68 9.521 1.473 -5.427 544 2HB CYS 68 HB1 CYS 68 7.764 1.348 -5.412 545 HG CYS 68 HG CYS 68 9.033 0.118 -7.912 546 H ASP 69 HN ASP 69 7.059 4.489 -7.771 547 HA ASP 69 HA ASP 69 7.554 6.563 -5.968 548 1HB ASP 69 HB2 ASP 69 4.760 5.970 -6.963 549 2HB ASP 69 HB1 ASP 69 5.507 7.541 -6.678 550 H PHE 70 HN PHE 70 5.393 7.272 -4.440 551 HA PHE 70 HA PHE 70 5.607 5.463 -2.210 552 1HB PHE 70 HB2 PHE 70 3.638 7.008 -1.382 553 2HB PHE 70 HB1 PHE 70 5.257 7.676 -1.560 554 HD1 PHE 70 HD1 PHE 70 2.026 7.242 -3.379 555 HD2 PHE 70 HD2 PHE 70 5.660 9.487 -3.011 556 HE1 PHE 70 HE1 PHE 70 1.182 8.872 -5.046 557 HE2 PHE 70 HE2 PHE 70 4.820 11.124 -4.676 558 HZ PHE 70 HZ PHE 70 2.579 10.817 -5.691 559 H GLN 71 HN GLN 71 3.249 5.872 -4.796 560 HA GLN 71 HA GLN 71 1.241 4.265 -3.465 561 1HB GLN 71 HB2 GLN 71 0.262 4.231 -5.896 562 2HB GLN 71 HB1 GLN 71 0.272 5.741 -4.987 563 1HG GLN 71 HG2 GLN 71 2.054 6.633 -6.215 564 2HG GLN 71 HG1 GLN 71 2.624 5.048 -6.735 565 1HE2 GLN 71 HE21 GLN 71 2.193 4.679 -8.905 566 2HE2 GLN 71 HE22 GLN 71 0.853 5.281 -9.755 567 H GLU 72 HN GLU 72 3.909 3.579 -5.652 568 HA GLU 72 HA GLU 72 2.920 0.827 -6.079 569 1HB GLU 72 HB2 GLU 72 3.867 1.934 -7.990 570 2HB GLU 72 HB1 GLU 72 5.325 2.353 -7.089 571 1HG GLU 72 HG2 GLU 72 5.969 0.015 -6.926 572 2HG GLU 72 HG1 GLU 72 4.440 -0.494 -7.645 573 H PHE 73 HN PHE 73 5.625 2.495 -4.465 574 HA PHE 73 HA PHE 73 6.968 0.142 -3.569 575 1HB PHE 73 HB2 PHE 73 8.211 2.113 -3.248 576 2HB PHE 73 HB1 PHE 73 6.833 2.989 -2.592 577 HD1 PHE 73 HD1 PHE 73 7.439 3.666 -0.424 578 HD2 PHE 73 HD2 PHE 73 8.244 -0.361 -1.681 579 HE1 PHE 73 HE1 PHE 73 8.150 3.088 1.878 580 HE2 PHE 73 HE2 PHE 73 8.954 -0.937 0.621 581 HZ PHE 73 HZ PHE 73 8.908 0.789 2.402 582 H MET 74 HN MET 74 4.256 1.975 -2.209 583 HA MET 74 HA MET 74 4.094 0.275 0.151 584 1HB MET 74 HB2 MET 74 3.255 2.611 0.183 585 2HB MET 74 HB1 MET 74 2.031 2.174 -1.006 586 1HG MET 74 HG2 MET 74 0.755 1.010 0.537 587 2HG MET 74 HG1 MET 74 2.158 0.480 1.463 588 1HE MET 74 HE1 MET 74 -0.864 2.003 1.913 589 2HE MET 74 HE2 MET 74 -0.568 2.809 3.450 590 3HE MET 74 HE3 MET 74 -0.065 1.137 3.232 591 H ALA 75 HN ALA 75 3.179 0.038 -3.086 592 HA ALA 75 HA ALA 75 0.911 -1.783 -2.677 593 1HB ALA 75 HB1 ALA 75 2.667 -1.655 -5.141 594 2HB ALA 75 HB2 ALA 75 1.398 -0.470 -4.837 595 3HB ALA 75 HB3 ALA 75 0.986 -2.174 -5.035 596 H PHE 76 HN PHE 76 4.379 -1.945 -2.692 597 HA PHE 76 HA PHE 76 4.536 -4.821 -3.069 598 1HB PHE 76 HB2 PHE 76 6.535 -3.666 -3.605 599 2HB PHE 76 HB1 PHE 76 6.495 -2.730 -2.113 600 HD1 PHE 76 HD1 PHE 76 7.479 -3.552 -0.106 601 HD2 PHE 76 HD2 PHE 76 6.991 -6.161 -3.484 602 HE1 PHE 76 HE1 PHE 76 8.845 -5.279 1.032 603 HE2 PHE 76 HE2 PHE 76 8.359 -7.888 -2.343 604 HZ PHE 76 HZ PHE 76 9.286 -7.447 -0.085 605 H VAL 77 HN VAL 77 4.501 -2.677 -0.190 606 HA VAL 77 HA VAL 77 4.941 -4.757 1.724 607 HB VAL 77 HB VAL 77 3.201 -2.278 1.984 608 1HG1 VAL 77 HG11 VAL 77 2.636 -3.861 3.719 609 2HG1 VAL 77 HG12 VAL 77 3.686 -2.644 4.442 610 3HG1 VAL 77 HG13 VAL 77 4.333 -4.223 4.004 611 1HG2 VAL 77 HG21 VAL 77 5.227 -1.425 3.205 612 2HG2 VAL 77 HG22 VAL 77 5.485 -1.665 1.478 613 3HG2 VAL 77 HG23 VAL 77 6.102 -2.844 2.636 614 H SER 78 HN SER 78 2.082 -3.563 0.092 615 HA SER 78 HA SER 78 0.131 -5.155 1.424 616 1HB SER 78 HB2 SER 78 -1.319 -4.448 -0.295 617 2HB SER 78 HB1 SER 78 -0.120 -3.156 -0.222 618 HG SER 78 HG SER 78 0.597 -3.726 -2.109 619 H MET 79 HN MET 79 2.219 -5.684 -1.365 620 HA MET 79 HA MET 79 1.077 -8.212 -2.128 621 1HB MET 79 HB2 MET 79 2.514 -6.760 -3.619 622 2HB MET 79 HB1 MET 79 3.901 -7.219 -2.634 623 1HG MET 79 HG2 MET 79 3.932 -9.395 -3.445 624 2HG MET 79 HG1 MET 79 2.196 -9.429 -3.744 625 1HE MET 79 HE1 MET 79 5.424 -8.846 -6.714 626 2HE MET 79 HE2 MET 79 4.895 -10.234 -5.765 627 3HE MET 79 HE3 MET 79 5.645 -8.860 -4.958 628 H VAL 80 HN VAL 80 3.327 -7.147 0.251 629 HA VAL 80 HA VAL 80 4.344 -9.837 0.843 630 HB VAL 80 HB VAL 80 4.644 -7.178 2.295 631 1HG1 VAL 80 HG11 VAL 80 6.493 -8.492 3.510 632 2HG1 VAL 80 HG12 VAL 80 5.701 -9.944 2.896 633 3HG1 VAL 80 HG13 VAL 80 4.828 -8.851 3.969 634 1HG2 VAL 80 HG21 VAL 80 5.845 -7.394 0.103 635 2HG2 VAL 80 HG22 VAL 80 6.687 -8.803 0.750 636 3HG2 VAL 80 HG23 VAL 80 6.933 -7.215 1.481 637 H THR 81 HN THR 81 2.078 -7.408 1.987 638 HA THR 81 HA THR 81 1.239 -8.826 4.336 639 HB THR 81 HB THR 81 -0.496 -7.020 2.633 640 HG1 THR 81 HG1 THR 81 0.832 -5.850 4.697 641 1HG2 THR 81 HG21 THR 81 -0.378 -7.676 5.583 642 2HG2 THR 81 HG22 THR 81 -1.666 -8.087 4.452 643 3HG2 THR 81 HG23 THR 81 -1.387 -6.404 4.898 644 H THR 82 HN THR 82 0.159 -8.817 0.889 645 HA THR 82 HA THR 82 -2.088 -10.472 1.247 646 HB THR 82 HB THR 82 -1.687 -11.033 -1.164 647 HG1 THR 82 HG1 THR 82 0.571 -10.975 -1.100 648 1HG2 THR 82 HG21 THR 82 -1.445 -8.331 -1.637 649 2HG2 THR 82 HG22 THR 82 -1.950 -8.333 0.052 650 3HG2 THR 82 HG23 THR 82 -2.947 -9.125 -1.163 651 H ALA 83 HN ALA 83 1.344 -11.413 0.607 652 HA ALA 83 HA ALA 83 0.900 -14.185 0.371 653 1HB ALA 83 HB1 ALA 83 3.233 -12.778 1.707 654 2HB ALA 83 HB2 ALA 83 3.093 -13.093 -0.023 655 3HB ALA 83 HB3 ALA 83 3.234 -14.437 1.110 656 H CYS 84 HN CYS 84 0.894 -12.050 3.131 657 HA CYS 84 HA CYS 84 0.934 -14.232 5.095 658 1HB CYS 84 HB2 CYS 84 0.052 -11.387 5.601 659 2HB CYS 84 HB1 CYS 84 0.771 -12.525 6.740 660 HG CYS 84 HG CYS 84 2.319 -10.713 4.871 661 H HIS 85 HN HIS 85 -1.434 -12.892 3.056 662 HA HIS 85 HA HIS 85 -3.669 -13.663 4.897 663 1HB HIS 85 HB2 HIS 85 -4.018 -11.462 4.100 664 2HB HIS 85 HB1 HIS 85 -3.495 -11.876 2.471 665 HD1 HIS 85 HD1 HIS 85 -5.424 -11.969 0.915 666 HD2 HIS 85 HD2 HIS 85 -6.488 -13.306 4.716 667 HE1 HIS 85 HE1 HIS 85 -7.858 -12.643 0.779 668 H GLU 86 HN GLU 86 -2.471 -14.221 1.560 669 HA GLU 86 HA GLU 86 -4.609 -16.153 1.043 670 1HB GLU 86 HB2 GLU 86 -3.500 -16.527 -1.088 671 2HB GLU 86 HB1 GLU 86 -3.548 -14.792 -0.766 672 1HG GLU 86 HG2 GLU 86 -1.226 -15.064 0.259 673 2HG GLU 86 HG1 GLU 86 -1.199 -16.669 -0.467 674 H PHE 87 HN PHE 87 -1.269 -16.298 2.148 675 HA PHE 87 HA PHE 87 -0.927 -19.128 1.737 676 1HB PHE 87 HB2 PHE 87 0.943 -17.508 2.185 677 2HB PHE 87 HB1 PHE 87 0.388 -17.407 3.857 678 HD1 PHE 87 HD1 PHE 87 0.493 -19.381 5.345 679 HD2 PHE 87 HD2 PHE 87 2.061 -19.485 1.348 680 HE1 PHE 87 HE1 PHE 87 1.734 -21.458 5.887 681 HE2 PHE 87 HE2 PHE 87 3.303 -21.563 1.890 682 HZ PHE 87 HZ PHE 87 3.139 -22.548 4.160 683 H PHE 88 HN PHE 88 -1.901 -17.224 4.599 684 HA PHE 88 HA PHE 88 -2.368 -19.556 6.240 685 1HB PHE 88 HB2 PHE 88 -1.968 -17.271 7.160 686 2HB PHE 88 HB1 PHE 88 -3.533 -16.768 6.523 687 HD1 PHE 88 HD1 PHE 88 -5.540 -17.230 7.707 688 HD2 PHE 88 HD2 PHE 88 -1.890 -19.200 8.827 689 HE1 PHE 88 HE1 PHE 88 -6.652 -18.140 9.728 690 HE2 PHE 88 HE2 PHE 88 -3.002 -20.109 10.848 691 HZ PHE 88 HZ PHE 88 -5.381 -19.579 11.299 692 H GLU 89 HN GLU 89 -4.408 -17.564 4.131 693 HA GLU 89 HA GLU 89 -6.801 -19.164 4.819 694 1HB GLU 89 HB2 GLU 89 -6.733 -16.601 4.323 695 2HB GLU 89 HB1 GLU 89 -6.661 -17.086 2.629 696 1HG GLU 89 HG2 GLU 89 -8.714 -18.581 3.187 697 2HG GLU 89 HG1 GLU 89 -8.860 -17.589 4.638 698 H HIS 90 HN HIS 90 -4.532 -20.504 3.520 699 HA HIS 90 HA HIS 90 -5.133 -20.852 0.715 700 1HB HIS 90 HB2 HIS 90 -2.921 -21.392 1.790 701 2HB HIS 90 HB1 HIS 90 -3.690 -22.783 2.553 702 HD1 HIS 90 HD1 HIS 90 -2.865 -21.397 -0.881 703 HD2 HIS 90 HD2 HIS 90 -4.010 -25.004 0.875 704 HE1 HIS 90 HE1 HIS 90 -2.691 -23.164 -2.689 705 HE2 HIS 90 HE2 HIS 90 -3.386 -25.362 -1.631 706 H GLU 91 HN GLU 91 -7.253 -21.459 0.347 707 HA GLU 91 HA GLU 91 -8.671 -23.396 1.946 708 1HB GLU 91 HB2 GLU 91 -9.835 -21.709 0.568 709 2HB GLU 91 HB1 GLU 91 -9.194 -22.459 -0.893 710 1HG GLU 91 HG2 GLU 91 -10.395 -24.522 -0.421 711 2HG GLU 91 HG1 GLU 91 -10.945 -23.886 1.129 712 1H MET 0 HT1 MET 0 9.462 -8.333 13.166 713 2H MET 0 HT2 MET 0 8.927 -8.971 14.647 714 3H MET 0 HT3 MET 0 9.845 -7.542 14.616 715 HA MET 0 HA MET 0 7.406 -7.479 13.056 716 1HB MET 0 HB2 MET 0 6.190 -6.916 15.314 717 2HB MET 0 HB1 MET 0 6.377 -8.603 14.839 718 1HG MET 0 HG2 MET 0 8.229 -8.920 16.312 719 2HG MET 0 HG1 MET 0 8.395 -7.186 16.590 720 1HE MET 0 HE1 MET 0 7.944 -9.612 19.052 721 2HE MET 0 HE2 MET 0 7.412 -8.258 20.047 722 3HE MET 0 HE3 MET 0 8.701 -8.024 18.869 723 H SER 1 HN SER 1 8.299 -5.579 12.158 724 HA SER 1 HA SER 1 8.996 -3.374 14.060 725 1HB SER 1 HB2 SER 1 9.966 -2.352 11.909 726 2HB SER 1 HB1 SER 1 10.816 -3.729 12.604 727 HG SER 1 HG SER 1 9.440 -3.496 10.238 728 H GLU 2 HN GLU 2 8.591 -1.179 12.730 729 HA GLU 2 HA GLU 2 5.856 -0.596 12.862 730 1HB GLU 2 HB2 GLU 2 8.038 0.662 11.183 731 2HB GLU 2 HB1 GLU 2 6.404 1.322 11.265 732 1HG GLU 2 HG2 GLU 2 6.581 1.672 13.640 733 2HG GLU 2 HG1 GLU 2 8.103 0.783 13.712 734 H LEU 3 HN LEU 3 7.679 -2.004 10.213 735 HA LEU 3 HA LEU 3 5.501 -1.704 8.297 736 1HB LEU 3 HB2 LEU 3 8.213 -2.929 8.305 737 2HB LEU 3 HB1 LEU 3 7.065 -3.721 7.231 738 HG LEU 3 HG LEU 3 7.378 -0.719 7.215 739 1HD1 LEU 3 HD11 LEU 3 8.892 -2.600 5.395 740 2HD1 LEU 3 HD12 LEU 3 9.618 -1.861 6.817 741 3HD1 LEU 3 HD13 LEU 3 9.042 -0.851 5.495 742 1HD2 LEU 3 HD21 LEU 3 5.470 -2.131 6.050 743 2HD2 LEU 3 HD22 LEU 3 6.719 -2.469 4.857 744 3HD2 LEU 3 HD23 LEU 3 6.240 -0.804 5.187 745 H GLU 4 HN GLU 4 6.289 -4.010 10.771 746 HA GLU 4 HA GLU 4 4.569 -6.109 9.666 747 1HB GLU 4 HB2 GLU 4 6.440 -6.810 11.030 748 2HB GLU 4 HB1 GLU 4 5.925 -5.777 12.360 749 1HG GLU 4 HG2 GLU 4 4.049 -7.886 11.292 750 2HG GLU 4 HG1 GLU 4 5.333 -8.345 12.405 751 H LYS 5 HN LYS 5 4.313 -3.406 11.854 752 HA LYS 5 HA LYS 5 1.815 -4.183 13.083 753 1HB LYS 5 HB2 LYS 5 3.428 -1.650 12.864 754 2HB LYS 5 HB1 LYS 5 1.761 -1.538 13.429 755 1HG LYS 5 HG2 LYS 5 2.176 -2.812 15.342 756 2HG LYS 5 HG1 LYS 5 3.595 -3.590 14.648 757 1HD LYS 5 HD2 LYS 5 3.830 -0.630 14.933 758 2HD LYS 5 HD1 LYS 5 3.703 -1.504 16.456 759 1HE LYS 5 HE2 LYS 5 5.629 -2.419 14.325 760 2HE LYS 5 HE1 LYS 5 6.072 -1.140 15.451 761 1HZ LYS 5 HZ1 LYS 5 5.019 -3.769 16.323 762 2HZ LYS 5 HZ2 LYS 5 5.752 -2.574 17.281 763 3HZ LYS 5 HZ3 LYS 5 6.676 -3.449 16.155 764 H ALA 6 HN ALA 6 2.683 -2.092 10.338 765 HA ALA 6 HA ALA 6 0.007 -1.328 9.693 766 1HB ALA 6 HB1 ALA 6 1.755 -0.053 8.691 767 2HB ALA 6 HB2 ALA 6 1.016 -0.945 7.361 768 3HB ALA 6 HB3 ALA 6 2.540 -1.499 8.054 769 H MET 7 HN MET 7 2.052 -3.967 8.472 770 HA MET 7 HA MET 7 0.244 -5.036 6.595 771 1HB MET 7 HB2 MET 7 2.157 -6.482 8.460 772 2HB MET 7 HB1 MET 7 1.330 -7.257 7.114 773 1HG MET 7 HG2 MET 7 2.545 -6.052 5.509 774 2HG MET 7 HG1 MET 7 2.986 -4.786 6.656 775 1HE MET 7 HE1 MET 7 5.241 -4.663 6.107 776 2HE MET 7 HE2 MET 7 5.514 -5.981 4.966 777 3HE MET 7 HE3 MET 7 6.518 -5.849 6.405 778 H VAL 8 HN VAL 8 0.471 -5.586 10.101 779 HA VAL 8 HA VAL 8 -1.649 -7.531 10.206 780 HB VAL 8 HB VAL 8 -0.409 -5.714 12.286 781 1HG1 VAL 8 HG11 VAL 8 -2.607 -6.076 13.132 782 2HG1 VAL 8 HG12 VAL 8 -1.603 -7.292 13.923 783 3HG1 VAL 8 HG13 VAL 8 -2.632 -7.745 12.565 784 1HG2 VAL 8 HG21 VAL 8 0.654 -7.756 13.040 785 2HG2 VAL 8 HG22 VAL 8 0.913 -7.621 11.301 786 3HG2 VAL 8 HG23 VAL 8 -0.314 -8.723 11.927 787 H ALA 9 HN ALA 9 -1.624 -4.051 10.993 788 HA ALA 9 HA ALA 9 -4.376 -3.811 11.593 789 1HB ALA 9 HB1 ALA 9 -4.101 -1.469 11.325 790 2HB ALA 9 HB2 ALA 9 -2.818 -1.677 10.133 791 3HB ALA 9 HB3 ALA 9 -2.515 -2.052 11.828 792 H LEU 10 HN LEU 10 -2.757 -3.957 8.442 793 HA LEU 10 HA LEU 10 -5.161 -3.125 7.001 794 1HB LEU 10 HB2 LEU 10 -2.437 -4.149 6.258 795 2HB LEU 10 HB1 LEU 10 -3.702 -4.117 5.031 796 HG LEU 10 HG LEU 10 -3.400 -1.615 6.659 797 1HD1 LEU 10 HD11 LEU 10 -1.090 -1.871 6.376 798 2HD1 LEU 10 HD12 LEU 10 -1.548 -0.913 4.968 799 3HD1 LEU 10 HD13 LEU 10 -1.268 -2.646 4.804 800 1HD2 LEU 10 HD21 LEU 10 -3.796 -0.587 4.431 801 2HD2 LEU 10 HD22 LEU 10 -5.036 -1.777 4.828 802 3HD2 LEU 10 HD23 LEU 10 -3.749 -2.189 3.693 803 H ILE 11 HN ILE 11 -3.536 -6.263 7.514 804 HA ILE 11 HA ILE 11 -5.106 -7.922 5.932 805 HB ILE 11 HB ILE 11 -3.957 -8.398 8.693 806 1HG1 ILE 11 HG12 ILE 11 -3.180 -9.522 5.993 807 2HG1 ILE 11 HG11 ILE 11 -2.490 -8.042 6.649 808 1HG2 ILE 11 HG21 ILE 11 -5.750 -9.976 8.573 809 2HG2 ILE 11 HG22 ILE 11 -4.310 -10.866 8.082 810 3HG2 ILE 11 HG23 ILE 11 -5.451 -10.293 6.865 811 1HD1 ILE 11 HD11 ILE 11 -2.311 -10.829 7.813 812 2HD1 ILE 11 HD12 ILE 11 -1.844 -9.382 8.708 813 3HD1 ILE 11 HD13 ILE 11 -0.986 -9.822 7.231 814 H ASP 12 HN ASP 12 -5.975 -6.422 9.017 815 HA ASP 12 HA ASP 12 -8.439 -7.926 9.299 816 1HB ASP 12 HB2 ASP 12 -7.632 -5.286 10.550 817 2HB ASP 12 HB1 ASP 12 -8.973 -6.304 11.072 818 H VAL 13 HN VAL 13 -7.767 -4.546 8.325 819 HA VAL 13 HA VAL 13 -10.537 -4.159 7.511 820 HB VAL 13 HB VAL 13 -8.226 -2.406 6.645 821 1HG1 VAL 13 HG11 VAL 13 -11.151 -1.943 7.304 822 2HG1 VAL 13 HG12 VAL 13 -10.371 -1.778 5.731 823 3HG1 VAL 13 HG13 VAL 13 -9.995 -0.642 7.028 824 1HG2 VAL 13 HG21 VAL 13 -8.578 -1.184 8.815 825 2HG2 VAL 13 HG22 VAL 13 -7.873 -2.787 9.017 826 3HG2 VAL 13 HG23 VAL 13 -9.583 -2.529 9.355 827 H PHE 14 HN PHE 14 -7.617 -5.291 6.016 828 HA PHE 14 HA PHE 14 -8.451 -4.825 3.275 829 1HB PHE 14 HB2 PHE 14 -6.132 -5.197 3.537 830 2HB PHE 14 HB1 PHE 14 -6.389 -6.617 4.538 831 HD1 PHE 14 HD1 PHE 14 -5.589 -8.528 3.456 832 HD2 PHE 14 HD2 PHE 14 -7.731 -5.573 1.188 833 HE1 PHE 14 HE1 PHE 14 -5.479 -9.982 1.455 834 HE2 PHE 14 HE2 PHE 14 -7.621 -7.035 -0.812 835 HZ PHE 14 HZ PHE 14 -6.497 -9.241 -0.677 836 H HIS 15 HN HIS 15 -8.675 -7.697 5.395 837 HA HIS 15 HA HIS 15 -10.005 -9.247 3.330 838 1HB HIS 15 HB2 HIS 15 -8.593 -10.019 5.423 839 2HB HIS 15 HB1 HIS 15 -10.143 -9.964 6.252 840 HD1 HIS 15 HD1 HIS 15 -9.004 -12.681 6.070 841 HD2 HIS 15 HD2 HIS 15 -11.279 -11.122 2.937 842 HE1 HIS 15 HE1 HIS 15 -9.835 -14.659 4.728 843 H GLN 16 HN GLN 16 -11.121 -7.366 6.134 844 HA GLN 16 HA GLN 16 -13.831 -8.323 6.054 845 1HB GLN 16 HB2 GLN 16 -12.565 -5.820 7.175 846 2HB GLN 16 HB1 GLN 16 -14.291 -6.151 7.324 847 1HG GLN 16 HG2 GLN 16 -13.875 -8.190 8.538 848 2HG GLN 16 HG1 GLN 16 -12.144 -8.091 8.215 849 1HE2 GLN 16 HE21 GLN 16 -13.758 -5.081 8.916 850 2HE2 GLN 16 HE22 GLN 16 -13.183 -4.910 10.505 851 H TYR 17 HN TYR 17 -12.280 -5.490 4.532 852 HA TYR 17 HA TYR 17 -14.854 -4.720 3.300 853 1HB TYR 17 HB2 TYR 17 -12.066 -3.566 3.271 854 2HB TYR 17 HB1 TYR 17 -13.279 -3.011 2.117 855 HD1 TYR 17 HD1 TYR 17 -15.168 -1.681 2.811 856 HD2 TYR 17 HD2 TYR 17 -12.453 -3.300 5.722 857 HE1 TYR 17 HE1 TYR 17 -16.203 -0.262 4.565 858 HE2 TYR 17 HE2 TYR 17 -13.485 -1.878 7.474 859 HH TYR 17 HH TYR 17 -16.183 0.329 6.699 860 H SER 18 HN SER 18 -11.622 -5.595 1.967 861 HA SER 18 HA SER 18 -12.498 -5.987 -0.694 862 1HB SER 18 HB2 SER 18 -10.496 -7.824 0.638 863 2HB SER 18 HB1 SER 18 -10.529 -7.267 -1.032 864 HG SER 18 HG SER 18 -9.671 -5.414 -0.441 865 H GLY 19 HN GLY 19 -13.156 -7.767 2.192 866 1HA GLY 19 HA2 GLY 19 -14.170 -10.134 0.705 867 2HA GLY 19 HA1 GLY 19 -13.927 -10.049 2.438 868 H ARG 20 HN ARG 20 -15.425 -7.197 1.464 869 HA ARG 20 HA ARG 20 -17.916 -7.989 2.720 870 1HB ARG 20 HB2 ARG 20 -16.890 -5.672 2.781 871 2HB ARG 20 HB1 ARG 20 -17.405 -5.492 1.106 872 1HG ARG 20 HG2 ARG 20 -19.755 -6.138 1.947 873 2HG ARG 20 HG1 ARG 20 -19.124 -5.833 3.565 874 1HD ARG 20 HD2 ARG 20 -18.366 -3.555 2.691 875 2HD ARG 20 HD1 ARG 20 -19.349 -3.881 1.264 876 HE ARG 20 HE ARG 20 -21.255 -3.408 2.563 877 1HH1 ARG 20 HH21 ARG 20 -18.535 -4.209 4.523 878 2HH1 ARG 20 HH22 ARG 20 -19.337 -3.850 6.016 879 1HH2 ARG 20 HH11 ARG 20 -22.316 -2.929 4.499 880 2HH2 ARG 20 HH12 ARG 20 -21.478 -3.126 6.003 881 H GLU 21 HN GLU 21 -17.065 -7.061 -0.644 882 HA GLU 21 HA GLU 21 -19.485 -8.583 -1.563 883 1HB GLU 21 HB2 GLU 21 -20.189 -6.317 -1.627 884 2HB GLU 21 HB1 GLU 21 -18.626 -5.756 -2.209 885 1HG GLU 21 HG2 GLU 21 -19.021 -6.501 -4.397 886 2HG GLU 21 HG1 GLU 21 -20.256 -7.653 -3.888 887 H GLY 22 HN GLY 22 -19.334 -9.177 -3.896 888 1HA GLY 22 HA2 GLY 22 -18.134 -9.768 -5.861 889 2HA GLY 22 HA1 GLY 22 -16.691 -9.031 -5.166 890 H ASP 23 HN ASP 23 -15.876 -11.193 -6.175 891 HA ASP 23 HA ASP 23 -16.406 -13.618 -4.647 892 1HB ASP 23 HB2 ASP 23 -14.047 -13.042 -6.466 893 2HB ASP 23 HB1 ASP 23 -14.674 -14.624 -6.002 894 H LYS 24 HN LYS 24 -15.642 -11.310 -3.122 895 HA LYS 24 HA LYS 24 -14.182 -10.550 -1.520 896 1HB LYS 24 HB2 LYS 24 -13.446 -12.270 0.084 897 2HB LYS 24 HB1 LYS 24 -15.128 -12.485 -0.381 898 1HG LYS 24 HG2 LYS 24 -14.564 -14.315 -1.844 899 2HG LYS 24 HG1 LYS 24 -12.837 -13.997 -1.662 900 1HD LYS 24 HD2 LYS 24 -13.008 -14.523 0.748 901 2HD LYS 24 HD1 LYS 24 -14.728 -14.849 0.549 902 1HE LYS 24 HE2 LYS 24 -12.674 -16.310 -1.113 903 2HE LYS 24 HE1 LYS 24 -13.117 -16.876 0.497 904 1HZ LYS 24 HZ1 LYS 24 -14.759 -17.919 -0.569 905 2HZ LYS 24 HZ2 LYS 24 -14.618 -16.957 -1.962 906 3HZ LYS 24 HZ3 LYS 24 -15.515 -16.402 -0.630 907 H HIS 25 HN HIS 25 -11.909 -10.779 -0.552 908 HA HIS 25 HA HIS 25 -9.608 -10.582 -0.893 909 1HB HIS 25 HB2 HIS 25 -9.904 -12.432 -3.271 910 2HB HIS 25 HB1 HIS 25 -8.477 -12.162 -2.278 911 HD2 HIS 25 HD2 HIS 25 -10.350 -15.111 -2.601 912 HE1 HIS 25 HE1 HIS 25 -10.585 -14.591 1.579 913 HE2 HIS 25 HE2 HIS 25 -10.872 -16.247 -0.315 914 H LYS 26 HN LYS 26 -11.930 -9.476 -2.940 915 HA LYS 26 HA LYS 26 -9.944 -7.933 -4.563 916 1HB LYS 26 HB2 LYS 26 -12.570 -9.228 -5.293 917 2HB LYS 26 HB1 LYS 26 -12.040 -7.790 -6.165 918 1HG LYS 26 HG2 LYS 26 -10.130 -10.092 -5.800 919 2HG LYS 26 HG1 LYS 26 -11.366 -10.184 -7.052 920 1HD LYS 26 HD2 LYS 26 -10.463 -8.422 -8.283 921 2HD LYS 26 HD1 LYS 26 -9.704 -7.680 -6.875 922 1HE LYS 26 HE2 LYS 26 -7.947 -9.262 -6.847 923 2HE LYS 26 HE1 LYS 26 -8.804 -10.360 -7.929 924 1HZ LYS 26 HZ1 LYS 26 -8.690 -8.480 -9.602 925 2HZ LYS 26 HZ2 LYS 26 -7.233 -9.287 -9.264 926 3HZ LYS 26 HZ3 LYS 26 -7.544 -7.764 -8.577 927 H LEU 27 HN LEU 27 -10.344 -5.729 -4.632 928 HA LEU 27 HA LEU 27 -12.273 -4.718 -2.644 929 1HB LEU 27 HB2 LEU 27 -9.834 -3.907 -2.941 930 2HB LEU 27 HB1 LEU 27 -10.429 -3.045 -4.350 931 HG LEU 27 HG LEU 27 -10.368 -1.611 -2.335 932 1HD1 LEU 27 HD11 LEU 27 -12.381 -0.537 -2.704 933 2HD1 LEU 27 HD12 LEU 27 -13.234 -2.038 -2.993 934 3HD1 LEU 27 HD13 LEU 27 -12.120 -1.426 -4.201 935 1HD2 LEU 27 HD21 LEU 27 -11.024 -3.685 -0.835 936 2HD2 LEU 27 HD22 LEU 27 -12.656 -3.092 -1.123 937 3HD2 LEU 27 HD23 LEU 27 -11.468 -2.048 -0.358 938 H LYS 28 HN LYS 28 -14.275 -4.141 -3.208 939 HA LYS 28 HA LYS 28 -14.910 -3.529 -6.058 940 1HB LYS 28 HB2 LYS 28 -17.044 -3.932 -3.983 941 2HB LYS 28 HB1 LYS 28 -17.007 -4.454 -5.664 942 1HG LYS 28 HG2 LYS 28 -15.281 -5.690 -3.488 943 2HG LYS 28 HG1 LYS 28 -16.832 -6.315 -3.973 944 1HD LYS 28 HD2 LYS 28 -14.554 -5.885 -5.911 945 2HD LYS 28 HD1 LYS 28 -14.871 -7.422 -5.109 946 1HE LYS 28 HE2 LYS 28 -16.094 -7.778 -7.039 947 2HE LYS 28 HE1 LYS 28 -17.344 -6.969 -6.096 948 1HZ LYS 28 HZ1 LYS 28 -15.634 -5.100 -7.400 949 2HZ LYS 28 HZ2 LYS 28 -17.323 -5.256 -7.487 950 3HZ LYS 28 HZ3 LYS 28 -16.328 -6.169 -8.518 951 H LYS 29 HN LYS 29 -16.090 -1.566 -6.533 952 HA LYS 29 HA LYS 29 -15.463 0.765 -5.146 953 1HB LYS 29 HB2 LYS 29 -17.989 0.136 -6.702 954 2HB LYS 29 HB1 LYS 29 -17.527 1.759 -6.188 955 1HG LYS 29 HG2 LYS 29 -15.283 1.294 -7.398 956 2HG LYS 29 HG1 LYS 29 -16.126 -0.054 -8.159 957 1HD LYS 29 HD2 LYS 29 -17.131 2.808 -8.221 958 2HD LYS 29 HD1 LYS 29 -16.160 2.085 -9.501 959 1HE LYS 29 HE2 LYS 29 -18.902 1.186 -8.572 960 2HE LYS 29 HE1 LYS 29 -18.486 1.887 -10.134 961 1HZ LYS 29 HZ1 LYS 29 -16.790 -0.243 -9.840 962 2HZ LYS 29 HZ2 LYS 29 -18.169 -0.178 -10.831 963 3HZ LYS 29 HZ3 LYS 29 -18.278 -0.815 -9.260 964 H SER 30 HN SER 30 -18.391 -1.228 -4.671 965 HA SER 30 HA SER 30 -19.659 0.303 -2.687 966 1HB SER 30 HB2 SER 30 -19.493 -2.695 -3.043 967 2HB SER 30 HB1 SER 30 -20.507 -1.943 -1.816 968 HG SER 30 HG SER 30 -21.590 -0.843 -3.463 969 H GLU 31 HN GLU 31 -16.630 -1.147 -2.523 970 HA GLU 31 HA GLU 31 -16.636 -1.133 0.498 971 1HB GLU 31 HB2 GLU 31 -14.835 -2.457 -1.510 972 2HB GLU 31 HB1 GLU 31 -14.345 -2.235 0.164 973 1HG GLU 31 HG2 GLU 31 -15.831 -3.809 0.944 974 2HG GLU 31 HG1 GLU 31 -17.057 -3.408 -0.257 975 H LEU 32 HN LEU 32 -15.066 0.127 -2.383 976 HA LEU 32 HA LEU 32 -13.174 1.740 -0.971 977 1HB LEU 32 HB2 LEU 32 -13.639 1.186 -3.638 978 2HB LEU 32 HB1 LEU 32 -14.198 2.849 -3.536 979 HG LEU 32 HG LEU 32 -11.479 1.906 -2.564 980 1HD1 LEU 32 HD11 LEU 32 -11.301 1.684 -4.892 981 2HD1 LEU 32 HD12 LEU 32 -10.769 3.346 -4.638 982 3HD1 LEU 32 HD13 LEU 32 -12.406 3.020 -5.207 983 1HD2 LEU 32 HD21 LEU 32 -12.498 3.962 -1.504 984 2HD2 LEU 32 HD22 LEU 32 -12.513 4.706 -3.102 985 3HD2 LEU 32 HD23 LEU 32 -10.981 4.261 -2.351 986 H LYS 33 HN LYS 33 -16.221 2.753 -2.552 987 HA LYS 33 HA LYS 33 -16.324 5.298 -1.318 988 1HB LYS 33 HB2 LYS 33 -17.702 4.342 -3.247 989 2HB LYS 33 HB1 LYS 33 -18.712 3.590 -2.012 990 1HG LYS 33 HG2 LYS 33 -19.110 5.834 -1.010 991 2HG LYS 33 HG1 LYS 33 -18.157 6.554 -2.307 992 1HD LYS 33 HD2 LYS 33 -20.275 6.760 -3.238 993 2HD LYS 33 HD1 LYS 33 -19.831 5.168 -3.857 994 1HE LYS 33 HE2 LYS 33 -20.962 4.173 -1.815 995 2HE LYS 33 HE1 LYS 33 -21.567 5.787 -1.448 996 1HZ LYS 33 HZ1 LYS 33 -22.366 3.937 -3.528 997 2HZ LYS 33 HZ2 LYS 33 -22.225 5.556 -4.023 998 3HZ LYS 33 HZ3 LYS 33 -23.264 5.143 -2.743 999 H GLU 34 HN GLU 34 -17.531 2.136 -0.238 1000 HA GLU 34 HA GLU 34 -18.808 3.259 2.136 1001 1HB GLU 34 HB2 GLU 34 -19.521 1.106 1.078 1002 2HB GLU 34 HB1 GLU 34 -18.031 0.372 1.683 1003 1HG GLU 34 HG2 GLU 34 -18.673 0.858 3.978 1004 2HG GLU 34 HG1 GLU 34 -20.099 1.739 3.427 1005 H LEU 35 HN LEU 35 -15.634 1.932 1.443 1006 HA LEU 35 HA LEU 35 -14.869 1.715 4.244 1007 1HB LEU 35 HB2 LEU 35 -13.723 0.361 2.552 1008 2HB LEU 35 HB1 LEU 35 -13.218 1.818 1.697 1009 HG LEU 35 HG LEU 35 -11.903 2.508 3.725 1010 1HD1 LEU 35 HD11 LEU 35 -12.976 1.379 5.524 1011 2HD1 LEU 35 HD12 LEU 35 -11.429 0.560 5.339 1012 3HD1 LEU 35 HD13 LEU 35 -12.894 -0.173 4.695 1013 1HD2 LEU 35 HD21 LEU 35 -10.913 1.244 1.807 1014 2HD2 LEU 35 HD22 LEU 35 -11.212 -0.253 2.689 1015 3HD2 LEU 35 HD23 LEU 35 -10.089 0.943 3.338 1016 H ILE 36 HN ILE 36 -14.718 4.150 1.726 1017 HA ILE 36 HA ILE 36 -12.971 5.982 3.103 1018 HB ILE 36 HB ILE 36 -15.093 6.517 1.017 1019 1HG1 ILE 36 HG12 ILE 36 -12.890 4.886 0.692 1020 2HG1 ILE 36 HG11 ILE 36 -13.635 5.799 -0.611 1021 1HG2 ILE 36 HG21 ILE 36 -13.543 8.510 0.562 1022 2HG2 ILE 36 HG22 ILE 36 -12.825 8.164 2.132 1023 3HG2 ILE 36 HG23 ILE 36 -14.532 8.584 2.016 1024 1HD1 ILE 36 HD11 ILE 36 -11.335 6.793 1.089 1025 2HD1 ILE 36 HD12 ILE 36 -12.004 7.589 -0.336 1026 3HD1 ILE 36 HD13 ILE 36 -11.159 6.052 -0.497 1027 H ASN 37 HN ASN 37 -16.515 5.687 2.864 1028 HA ASN 37 HA ASN 37 -16.939 7.954 4.671 1029 1HB ASN 37 HB2 ASN 37 -18.503 7.582 2.838 1030 2HB ASN 37 HB1 ASN 37 -18.857 5.962 3.437 1031 1HD2 ASN 37 HD21 ASN 37 -20.067 9.074 3.454 1032 2HD2 ASN 37 HD22 ASN 37 -20.978 9.005 4.885 1033 H ASN 38 HN ASN 38 -16.779 4.455 4.946 1034 HA ASN 38 HA ASN 38 -18.147 4.486 7.558 1035 1HB ASN 38 HB2 ASN 38 -18.371 2.585 5.957 1036 2HB ASN 38 HB1 ASN 38 -16.668 2.208 6.222 1037 1HD2 ASN 38 HD21 ASN 38 -17.468 0.089 7.137 1038 2HD2 ASN 38 HD22 ASN 38 -18.028 0.044 8.738 1039 H GLU 39 HN GLU 39 -14.778 3.770 6.493 1040 HA GLU 39 HA GLU 39 -13.969 3.904 9.369 1041 1HB GLU 39 HB2 GLU 39 -13.359 1.926 7.864 1042 2HB GLU 39 HB1 GLU 39 -12.257 3.025 7.037 1043 1HG GLU 39 HG2 GLU 39 -10.945 3.356 8.990 1044 2HG GLU 39 HG1 GLU 39 -12.176 2.661 10.042 1045 H LEU 40 HN LEU 40 -12.661 5.023 6.212 1046 HA LEU 40 HA LEU 40 -11.003 7.008 7.557 1047 1HB LEU 40 HB2 LEU 40 -11.654 7.145 4.617 1048 2HB LEU 40 HB1 LEU 40 -10.152 7.544 5.443 1049 HG LEU 40 HG LEU 40 -11.244 4.725 5.168 1050 1HD1 LEU 40 HD11 LEU 40 -9.273 4.534 3.546 1051 2HD1 LEU 40 HD12 LEU 40 -9.259 6.296 3.526 1052 3HD1 LEU 40 HD13 LEU 40 -10.686 5.419 2.974 1053 1HD2 LEU 40 HD21 LEU 40 -8.438 4.741 5.608 1054 2HD2 LEU 40 HD22 LEU 40 -9.686 4.241 6.745 1055 3HD2 LEU 40 HD23 LEU 40 -9.094 5.900 6.762 1056 H SER 41 HN SER 41 -13.895 7.178 8.102 1057 HA SER 41 HA SER 41 -14.806 9.566 6.644 1058 1HB SER 41 HB2 SER 41 -16.463 8.926 8.932 1059 2HB SER 41 HB1 SER 41 -16.840 8.740 7.223 1060 HG SER 41 HG SER 41 -15.669 6.745 7.312 1061 H HIS 42 HN HIS 42 -12.996 8.908 9.519 1062 HA HIS 42 HA HIS 42 -13.685 11.566 10.692 1063 1HB HIS 42 HB2 HIS 42 -11.974 9.322 11.807 1064 2HB HIS 42 HB1 HIS 42 -12.482 10.774 12.669 1065 HD1 HIS 42 HD1 HIS 42 -15.255 11.068 12.716 1066 HD2 HIS 42 HD2 HIS 42 -13.734 7.223 12.160 1067 HE1 HIS 42 HE1 HIS 42 -17.133 9.464 13.286 1068 HE2 HIS 42 HE2 HIS 42 -16.219 7.122 12.945 1069 H PHE 43 HN PHE 43 -11.217 9.910 8.913 1070 HA PHE 43 HA PHE 43 -9.262 12.117 9.452 1071 1HB PHE 43 HB2 PHE 43 -8.798 9.487 9.681 1072 2HB PHE 43 HB1 PHE 43 -8.514 9.622 7.949 1073 HD1 PHE 43 HD1 PHE 43 -7.541 11.075 11.250 1074 HD2 PHE 43 HD2 PHE 43 -6.463 10.490 7.133 1075 HE1 PHE 43 HE1 PHE 43 -5.280 11.981 11.713 1076 HE2 PHE 43 HE2 PHE 43 -4.203 11.398 7.597 1077 HZ PHE 43 HZ PHE 43 -3.611 12.143 9.886 1078 H LEU 44 HN LEU 44 -10.638 10.174 6.798 1079 HA LEU 44 HA LEU 44 -9.744 12.267 4.875 1080 1HB LEU 44 HB2 LEU 44 -9.209 9.946 4.289 1081 2HB LEU 44 HB1 LEU 44 -10.904 9.498 4.448 1082 HG LEU 44 HG LEU 44 -11.513 10.926 2.575 1083 1HD1 LEU 44 HD11 LEU 44 -9.470 11.906 1.247 1084 2HD1 LEU 44 HD12 LEU 44 -8.641 11.813 2.801 1085 3HD1 LEU 44 HD13 LEU 44 -10.097 12.793 2.632 1086 1HD2 LEU 44 HD21 LEU 44 -10.476 8.571 2.269 1087 2HD2 LEU 44 HD22 LEU 44 -9.039 9.421 1.705 1088 3HD2 LEU 44 HD23 LEU 44 -10.568 9.606 0.845 1089 H GLU 45 HN GLU 45 -11.241 13.529 3.803 1090 HA GLU 45 HA GLU 45 -13.713 14.157 4.901 1091 1HB GLU 45 HB2 GLU 45 -13.038 14.236 1.944 1092 2HB GLU 45 HB1 GLU 45 -14.302 15.171 2.743 1093 1HG GLU 45 HG2 GLU 45 -11.370 15.340 3.487 1094 2HG GLU 45 HG1 GLU 45 -12.158 16.447 2.363 1095 H GLU 46 HN GLU 46 -15.642 13.144 5.010 1096 HA GLU 46 HA GLU 46 -16.037 10.473 4.162 1097 1HB GLU 46 HB2 GLU 46 -18.336 12.393 4.546 1098 2HB GLU 46 HB1 GLU 46 -18.246 10.681 4.956 1099 1HG GLU 46 HG2 GLU 46 -17.977 11.648 7.061 1100 2HG GLU 46 HG1 GLU 46 -16.296 11.465 6.566 1101 H ILE 47 HN ILE 47 -15.768 10.044 1.971 1102 HA ILE 47 HA ILE 47 -16.740 11.763 -0.121 1103 HB ILE 47 HB ILE 47 -15.773 8.903 0.006 1104 1HG1 ILE 47 HG12 ILE 47 -14.873 11.378 -1.514 1105 2HG1 ILE 47 HG11 ILE 47 -14.143 10.758 -0.037 1106 1HG2 ILE 47 HG21 ILE 47 -16.043 8.840 -2.528 1107 2HG2 ILE 47 HG22 ILE 47 -17.103 10.237 -2.371 1108 3HG2 ILE 47 HG23 ILE 47 -17.539 8.705 -1.617 1109 1HD1 ILE 47 HD11 ILE 47 -14.082 8.538 -1.710 1110 2HD1 ILE 47 HD12 ILE 47 -12.733 9.636 -1.418 1111 3HD1 ILE 47 HD13 ILE 47 -13.776 9.878 -2.817 1112 H LYS 48 HN LYS 48 -18.807 12.043 -0.759 1113 HA LYS 48 HA LYS 48 -20.855 9.977 -0.002 1114 1HB LYS 48 HB2 LYS 48 -21.153 12.965 -0.466 1115 2HB LYS 48 HB1 LYS 48 -22.491 11.856 -0.163 1116 1HG LYS 48 HG2 LYS 48 -21.159 11.187 1.977 1117 2HG LYS 48 HG1 LYS 48 -20.277 12.690 1.709 1118 1HD LYS 48 HD2 LYS 48 -23.275 12.409 2.061 1119 2HD LYS 48 HD1 LYS 48 -22.148 13.102 3.225 1120 1HE LYS 48 HE2 LYS 48 -21.507 14.760 1.364 1121 2HE LYS 48 HE1 LYS 48 -22.959 14.202 0.531 1122 1HZ LYS 48 HZ1 LYS 48 -23.480 14.774 3.269 1123 2HZ LYS 48 HZ2 LYS 48 -24.235 15.390 1.877 1124 3HZ LYS 48 HZ3 LYS 48 -22.828 16.127 2.482 1125 H GLU 49 HN GLU 49 -19.321 11.744 -2.543 1126 HA GLU 49 HA GLU 49 -21.355 10.894 -4.546 1127 1HB GLU 49 HB2 GLU 49 -20.300 13.249 -4.482 1128 2HB GLU 49 HB1 GLU 49 -18.833 12.477 -5.083 1129 1HG GLU 49 HG2 GLU 49 -19.952 13.176 -7.047 1130 2HG GLU 49 HG1 GLU 49 -20.344 11.461 -6.921 1131 H GLN 50 HN GLN 50 -20.729 9.542 -6.322 1132 HA GLN 50 HA GLN 50 -18.472 7.722 -5.679 1133 1HB GLN 50 HB2 GLN 50 -20.683 6.759 -6.256 1134 2HB GLN 50 HB1 GLN 50 -20.600 7.540 -7.835 1135 1HG GLN 50 HG2 GLN 50 -18.647 6.250 -8.445 1136 2HG GLN 50 HG1 GLN 50 -18.520 5.590 -6.814 1137 1HE2 GLN 50 HE21 GLN 50 -19.263 3.472 -6.763 1138 2HE2 GLN 50 HE22 GLN 50 -20.579 2.876 -7.653 1139 H GLU 51 HN GLU 51 -19.410 10.157 -8.013 1140 HA GLU 51 HA GLU 51 -17.733 9.582 -10.158 1141 1HB GLU 51 HB2 GLU 51 -19.349 11.446 -10.157 1142 2HB GLU 51 HB1 GLU 51 -18.342 12.316 -8.999 1143 1HG GLU 51 HG2 GLU 51 -16.543 12.508 -10.582 1144 2HG GLU 51 HG1 GLU 51 -17.337 11.403 -11.705 1145 H VAL 52 HN VAL 52 -16.838 10.840 -6.994 1146 HA VAL 52 HA VAL 52 -14.160 11.569 -7.878 1147 HB VAL 52 HB VAL 52 -15.048 12.690 -5.909 1148 1HG1 VAL 52 HG11 VAL 52 -15.205 9.919 -4.681 1149 2HG1 VAL 52 HG12 VAL 52 -16.584 10.885 -5.204 1150 3HG1 VAL 52 HG13 VAL 52 -15.581 11.436 -3.863 1151 1HG2 VAL 52 HG21 VAL 52 -12.975 10.733 -4.895 1152 2HG2 VAL 52 HG22 VAL 52 -13.191 12.424 -4.441 1153 3HG2 VAL 52 HG23 VAL 52 -12.574 12.013 -6.041 1154 H VAL 53 HN VAL 53 -15.708 8.774 -6.422 1155 HA VAL 53 HA VAL 53 -13.229 7.330 -6.093 1156 HB VAL 53 HB VAL 53 -15.942 6.890 -5.403 1157 1HG1 VAL 53 HG11 VAL 53 -14.976 4.639 -7.193 1158 2HG1 VAL 53 HG12 VAL 53 -16.280 5.759 -7.593 1159 3HG1 VAL 53 HG13 VAL 53 -16.456 4.648 -6.233 1160 1HG2 VAL 53 HG21 VAL 53 -13.579 5.017 -5.163 1161 2HG2 VAL 53 HG22 VAL 53 -15.063 4.910 -4.220 1162 3HG2 VAL 53 HG23 VAL 53 -13.997 6.302 -4.031 1163 H ASP 54 HN ASP 54 -15.321 8.143 -8.695 1164 HA ASP 54 HA ASP 54 -14.334 6.076 -10.522 1165 1HB ASP 54 HB2 ASP 54 -16.553 7.331 -10.773 1166 2HB ASP 54 HB1 ASP 54 -15.600 8.726 -11.277 1167 H LYS 55 HN LYS 55 -13.563 9.367 -9.592 1168 HA LYS 55 HA LYS 55 -11.507 9.707 -11.649 1169 1HB LYS 55 HB2 LYS 55 -12.571 11.703 -10.834 1170 2HB LYS 55 HB1 LYS 55 -12.246 11.271 -9.160 1171 1HG LYS 55 HG2 LYS 55 -9.820 11.447 -10.882 1172 2HG LYS 55 HG1 LYS 55 -10.665 12.973 -10.648 1173 1HD LYS 55 HD2 LYS 55 -10.364 12.945 -8.318 1174 2HD LYS 55 HD1 LYS 55 -10.058 11.211 -8.280 1175 1HE LYS 55 HE2 LYS 55 -7.887 11.464 -9.218 1176 2HE LYS 55 HE1 LYS 55 -8.208 13.131 -9.698 1177 1HZ LYS 55 HZ1 LYS 55 -8.146 12.188 -6.886 1178 2HZ LYS 55 HZ2 LYS 55 -8.272 13.795 -7.421 1179 3HZ LYS 55 HZ3 LYS 55 -6.836 12.924 -7.670 1180 H VAL 56 HN VAL 56 -11.499 9.152 -8.109 1181 HA VAL 56 HA VAL 56 -8.702 8.959 -7.772 1182 HB VAL 56 HB VAL 56 -10.779 8.727 -6.053 1183 1HG1 VAL 56 HG11 VAL 56 -11.283 6.396 -6.921 1184 2HG1 VAL 56 HG12 VAL 56 -11.043 6.507 -5.183 1185 3HG1 VAL 56 HG13 VAL 56 -9.757 5.882 -6.213 1186 1HG2 VAL 56 HG21 VAL 56 -8.579 9.241 -5.269 1187 2HG2 VAL 56 HG22 VAL 56 -7.969 7.651 -5.731 1188 3HG2 VAL 56 HG23 VAL 56 -9.091 7.807 -4.379 1189 H MET 57 HN MET 57 -11.043 6.552 -8.859 1190 HA MET 57 HA MET 57 -9.203 4.360 -9.065 1191 1HB MET 57 HB2 MET 57 -11.803 5.015 -10.468 1192 2HB MET 57 HB1 MET 57 -10.907 3.532 -10.797 1193 1HG MET 57 HG2 MET 57 -11.583 4.308 -7.963 1194 2HG MET 57 HG1 MET 57 -12.763 3.474 -8.974 1195 1HE MET 57 HE1 MET 57 -12.036 0.008 -8.179 1196 2HE MET 57 HE2 MET 57 -12.935 1.115 -9.212 1197 3HE MET 57 HE3 MET 57 -12.924 1.366 -7.467 1198 H GLU 58 HN GLU 58 -9.855 7.142 -11.089 1199 HA GLU 58 HA GLU 58 -8.622 6.156 -13.492 1200 1HB GLU 58 HB2 GLU 58 -10.075 8.257 -13.235 1201 2HB GLU 58 HB1 GLU 58 -8.632 9.044 -12.591 1202 1HG GLU 58 HG2 GLU 58 -7.434 8.254 -14.712 1203 2HG GLU 58 HG1 GLU 58 -9.033 7.869 -15.349 1204 H THR 59 HN THR 59 -7.408 7.773 -10.605 1205 HA THR 59 HA THR 59 -4.675 7.902 -11.677 1206 HB THR 59 HB THR 59 -5.671 8.400 -8.858 1207 HG1 THR 59 HG1 THR 59 -4.931 10.462 -10.549 1208 1HG2 THR 59 HG21 THR 59 -3.535 9.715 -8.728 1209 2HG2 THR 59 HG22 THR 59 -3.096 9.060 -10.305 1210 3HG2 THR 59 HG23 THR 59 -3.285 7.979 -8.924 1211 H LEU 60 HN LEU 60 -6.610 5.795 -9.630 1212 HA LEU 60 HA LEU 60 -4.181 4.250 -8.869 1213 1HB LEU 60 HB2 LEU 60 -7.024 4.320 -7.929 1214 2HB LEU 60 HB1 LEU 60 -6.107 2.837 -7.679 1215 HG LEU 60 HG LEU 60 -5.985 4.411 -5.756 1216 1HD1 LEU 60 HD11 LEU 60 -3.173 4.394 -6.798 1217 2HD1 LEU 60 HD12 LEU 60 -3.990 2.835 -6.697 1218 3HD1 LEU 60 HD13 LEU 60 -3.811 3.828 -5.256 1219 1HD2 LEU 60 HD21 LEU 60 -4.265 6.177 -7.495 1220 2HD2 LEU 60 HD22 LEU 60 -4.967 6.537 -5.919 1221 3HD2 LEU 60 HD23 LEU 60 -6.001 6.452 -7.343 1222 H ASP 61 HN ASP 61 -7.319 3.573 -10.649 1223 HA ASP 61 HA ASP 61 -6.682 0.889 -11.228 1224 1HB ASP 61 HB2 ASP 61 -8.866 2.129 -11.636 1225 2HB ASP 61 HB1 ASP 61 -8.111 2.791 -13.087 1226 H GLU 62 HN GLU 62 -4.477 0.794 -11.684 1227 HA GLU 62 HA GLU 62 -3.481 2.180 -14.104 1228 1HB GLU 62 HB2 GLU 62 -2.084 1.961 -11.982 1229 2HB GLU 62 HB1 GLU 62 -1.964 0.239 -12.340 1230 1HG GLU 62 HG2 GLU 62 -0.000 1.350 -13.240 1231 2HG GLU 62 HG1 GLU 62 -1.013 0.829 -14.586 1232 H ASP 63 HN ASP 63 -4.466 -0.977 -12.989 1233 HA ASP 63 HA ASP 63 -3.533 -2.307 -15.442 1234 1HB ASP 63 HB2 ASP 63 -4.728 -4.279 -14.507 1235 2HB ASP 63 HB1 ASP 63 -3.610 -3.583 -13.333 1236 H GLY 64 HN GLY 64 -6.019 -0.247 -14.602 1237 1HA GLY 64 HA2 GLY 64 -8.002 0.356 -15.703 1238 2HA GLY 64 HA1 GLY 64 -7.375 -0.520 -17.101 1239 H ASP 65 HN ASP 65 -8.207 -1.686 -13.833 1240 HA ASP 65 HA ASP 65 -9.941 -3.763 -15.134 1241 1HB ASP 65 HB2 ASP 65 -9.728 -4.955 -12.972 1242 2HB ASP 65 HB1 ASP 65 -8.150 -4.624 -13.687 1243 H GLY 66 HN GLY 66 -10.156 -0.801 -13.548 1244 1HA GLY 66 HA2 GLY 66 -12.069 0.335 -12.744 1245 2HA GLY 66 HA1 GLY 66 -13.040 -1.038 -13.290 1246 H GLU 67 HN GLU 67 -10.735 -2.451 -11.573 1247 HA GLU 67 HA GLU 67 -12.150 -2.204 -8.936 1248 1HB GLU 67 HB2 GLU 67 -11.110 -4.637 -10.412 1249 2HB GLU 67 HB1 GLU 67 -11.320 -4.652 -8.660 1250 1HG GLU 67 HG2 GLU 67 -13.708 -3.937 -9.009 1251 2HG GLU 67 HG1 GLU 67 -13.462 -4.136 -10.745 1252 H CYS 68 HN CYS 68 -10.552 -2.973 -7.135 1253 HA CYS 68 HA CYS 68 -7.756 -2.141 -7.857 1254 1HB CYS 68 HB2 CYS 68 -9.462 -1.296 -5.514 1255 2HB CYS 68 HB1 CYS 68 -7.704 -1.172 -5.488 1256 HG CYS 68 HG CYS 68 -8.337 1.055 -6.513 1257 H ASP 69 HN ASP 69 -6.988 -4.248 -7.924 1258 HA ASP 69 HA ASP 69 -7.497 -6.369 -6.180 1259 1HB ASP 69 HB2 ASP 69 -4.695 -5.751 -7.140 1260 2HB ASP 69 HB1 ASP 69 -5.445 -7.329 -6.903 1261 H PHE 70 HN PHE 70 -5.346 -7.120 -4.656 1262 HA PHE 70 HA PHE 70 -5.574 -5.371 -2.380 1263 1HB PHE 70 HB2 PHE 70 -3.609 -6.940 -1.582 1264 2HB PHE 70 HB1 PHE 70 -5.229 -7.600 -1.789 1265 HD1 PHE 70 HD1 PHE 70 -1.987 -7.120 -3.579 1266 HD2 PHE 70 HD2 PHE 70 -5.624 -9.372 -3.287 1267 HE1 PHE 70 HE1 PHE 70 -1.135 -8.705 -5.282 1268 HE2 PHE 70 HE2 PHE 70 -4.775 -10.965 -4.990 1269 HZ PHE 70 HZ PHE 70 -2.527 -10.633 -5.986 1270 H GLN 71 HN GLN 71 -3.198 -5.712 -4.962 1271 HA GLN 71 HA GLN 71 -1.198 -4.141 -3.578 1272 1HB GLN 71 HB2 GLN 71 -0.203 -4.044 -5.999 1273 2HB GLN 71 HB1 GLN 71 -0.222 -5.578 -5.131 1274 1HG GLN 71 HG2 GLN 71 -1.999 -6.432 -6.394 1275 2HG GLN 71 HG1 GLN 71 -2.560 -4.832 -6.877 1276 1HE2 GLN 71 HE21 GLN 71 -2.115 -4.412 -9.037 1277 2HE2 GLN 71 HE22 GLN 71 -0.766 -4.994 -9.889 1278 H GLU 72 HN GLU 72 -3.853 -3.397 -5.759 1279 HA GLU 72 HA GLU 72 -2.861 -0.635 -6.109 1280 1HB GLU 72 HB2 GLU 72 -3.797 -1.690 -8.053 1281 2HB GLU 72 HB1 GLU 72 -5.260 -2.133 -7.174 1282 1HG GLU 72 HG2 GLU 72 -5.905 0.200 -6.951 1283 2HG GLU 72 HG1 GLU 72 -4.370 0.726 -7.644 1284 H PHE 73 HN PHE 73 -5.578 -2.343 -4.556 1285 HA PHE 73 HA PHE 73 -6.924 -0.011 -3.608 1286 1HB PHE 73 HB2 PHE 73 -8.173 -1.985 -3.347 1287 2HB PHE 73 HB1 PHE 73 -6.801 -2.884 -2.709 1288 HD1 PHE 73 HD1 PHE 73 -7.416 -3.620 -0.563 1289 HD2 PHE 73 HD2 PHE 73 -8.213 0.442 -1.712 1290 HE1 PHE 73 HE1 PHE 73 -8.142 -3.105 1.748 1291 HE2 PHE 73 HE2 PHE 73 -8.938 0.953 0.601 1292 HZ PHE 73 HZ PHE 73 -8.905 -0.821 2.333 1293 H MET 74 HN MET 74 -4.220 -1.886 -2.282 1294 HA MET 74 HA MET 74 -4.074 -0.250 0.126 1295 1HB MET 74 HB2 MET 74 -3.235 -2.587 0.099 1296 2HB MET 74 HB1 MET 74 -2.003 -2.116 -1.071 1297 1HG MET 74 HG2 MET 74 -0.738 -0.994 0.512 1298 2HG MET 74 HG1 MET 74 -2.148 -0.493 1.444 1299 1HE MET 74 HE1 MET 74 0.567 -2.877 3.388 1300 2HE MET 74 HE2 MET 74 0.058 -1.200 3.227 1301 3HE MET 74 HE3 MET 74 0.870 -2.001 1.883 1302 H ALA 75 HN ALA 75 -3.137 0.075 -3.096 1303 HA ALA 75 HA ALA 75 -0.870 1.883 -2.625 1304 1HB ALA 75 HB1 ALA 75 -2.613 1.823 -5.099 1305 2HB ALA 75 HB2 ALA 75 -1.345 0.632 -4.821 1306 3HB ALA 75 HB3 ALA 75 -0.934 2.339 -4.971 1307 H PHE 76 HN PHE 76 -4.337 2.047 -2.655 1308 HA PHE 76 HA PHE 76 -4.489 4.931 -2.956 1309 1HB PHE 76 HB2 PHE 76 -6.486 3.796 -3.538 1310 2HB PHE 76 HB1 PHE 76 -6.459 2.818 -2.074 1311 HD1 PHE 76 HD1 PHE 76 -7.440 3.590 -0.045 1312 HD2 PHE 76 HD2 PHE 76 -6.958 6.282 -3.359 1313 HE1 PHE 76 HE1 PHE 76 -8.813 5.285 1.134 1314 HE2 PHE 76 HE2 PHE 76 -8.333 7.977 -2.178 1315 HZ PHE 76 HZ PHE 76 -9.260 7.478 0.067 1316 H VAL 77 HN VAL 77 -4.480 2.708 -0.137 1317 HA VAL 77 HA VAL 77 -4.929 4.738 1.829 1318 HB VAL 77 HB VAL 77 -3.195 2.251 2.037 1319 1HG1 VAL 77 HG11 VAL 77 -3.701 2.561 4.502 1320 2HG1 VAL 77 HG12 VAL 77 -4.329 4.154 4.091 1321 3HG1 VAL 77 HG13 VAL 77 -2.633 3.782 3.813 1322 1HG2 VAL 77 HG21 VAL 77 -5.624 1.894 1.459 1323 2HG2 VAL 77 HG22 VAL 77 -6.037 2.721 2.961 1324 3HG2 VAL 77 HG23 VAL 77 -5.141 1.204 3.009 1325 H SER 78 HN SER 78 -2.060 3.588 0.182 1326 HA SER 78 HA SER 78 -0.116 5.140 1.569 1327 1HB SER 78 HB2 SER 78 1.343 4.479 -0.157 1328 2HB SER 78 HB1 SER 78 0.142 3.188 -0.132 1329 HG SER 78 HG SER 78 0.018 3.736 -2.175 1330 H MET 79 HN MET 79 -2.185 5.747 -1.217 1331 HA MET 79 HA MET 79 -1.038 8.293 -1.903 1332 1HB MET 79 HB2 MET 79 -2.462 6.885 -3.443 1333 2HB MET 79 HB1 MET 79 -3.857 7.313 -2.458 1334 1HG MET 79 HG2 MET 79 -3.883 9.512 -3.207 1335 2HG MET 79 HG1 MET 79 -2.145 9.554 -3.495 1336 1HE MET 79 HE1 MET 79 -5.299 9.169 -6.546 1337 2HE MET 79 HE2 MET 79 -4.856 10.403 -5.367 1338 3HE MET 79 HE3 MET 79 -5.625 8.913 -4.827 1339 H VAL 80 HN VAL 80 -3.305 7.168 0.431 1340 HA VAL 80 HA VAL 80 -4.322 9.844 1.087 1341 HB VAL 80 HB VAL 80 -4.640 7.142 2.461 1342 1HG1 VAL 80 HG11 VAL 80 -5.734 9.884 3.124 1343 2HG1 VAL 80 HG12 VAL 80 -4.798 8.812 4.166 1344 3HG1 VAL 80 HG13 VAL 80 -6.458 8.399 3.738 1345 1HG2 VAL 80 HG21 VAL 80 -6.543 8.837 0.813 1346 2HG2 VAL 80 HG22 VAL 80 -7.014 7.393 1.714 1347 3HG2 VAL 80 HG23 VAL 80 -5.882 7.263 0.368 1348 H THR 81 HN THR 81 -2.065 7.383 2.181 1349 HA THR 81 HA THR 81 -1.238 8.734 4.572 1350 HB THR 81 HB THR 81 0.500 6.974 2.826 1351 HG1 THR 81 HG1 THR 81 -0.763 5.691 4.824 1352 1HG2 THR 81 HG21 THR 81 1.651 8.013 4.682 1353 2HG2 THR 81 HG22 THR 81 1.407 6.307 5.057 1354 3HG2 THR 81 HG23 THR 81 0.374 7.529 5.795 1355 H THR 82 HN THR 82 -0.136 8.817 1.133 1356 HA THR 82 HA THR 82 2.110 10.460 1.547 1357 HB THR 82 HB THR 82 1.721 11.088 -0.851 1358 HG1 THR 82 HG1 THR 82 -0.733 10.392 -0.198 1359 1HG2 THR 82 HG21 THR 82 1.976 8.353 0.288 1360 2HG2 THR 82 HG22 THR 82 2.980 9.179 -0.895 1361 3HG2 THR 82 HG23 THR 82 1.479 8.402 -1.403 1362 H ALA 83 HN ALA 83 -1.320 11.421 0.911 1363 HA ALA 83 HA ALA 83 -0.872 14.198 0.752 1364 1HB ALA 83 HB1 ALA 83 -3.192 12.578 1.823 1365 2HB ALA 83 HB2 ALA 83 -3.068 13.393 0.264 1366 3HB ALA 83 HB3 ALA 83 -3.233 14.339 1.743 1367 H CYS 84 HN CYS 84 -0.884 11.990 3.455 1368 HA CYS 84 HA CYS 84 -0.939 14.119 5.476 1369 1HB CYS 84 HB2 CYS 84 -0.061 11.259 5.912 1370 2HB CYS 84 HB1 CYS 84 -0.787 12.368 7.076 1371 HG CYS 84 HG CYS 84 -3.052 12.170 5.733 1372 H HIS 85 HN HIS 85 1.442 12.831 3.419 1373 HA HIS 85 HA HIS 85 3.666 13.551 5.294 1374 1HB HIS 85 HB2 HIS 85 4.019 11.373 4.442 1375 2HB HIS 85 HB1 HIS 85 3.507 11.830 2.820 1376 HD1 HIS 85 HD1 HIS 85 5.444 11.966 1.279 1377 HD2 HIS 85 HD2 HIS 85 6.488 13.194 5.122 1378 HE1 HIS 85 HE1 HIS 85 7.878 12.638 1.176 1379 H GLU 86 HN GLU 86 2.491 14.201 1.965 1380 HA GLU 86 HA GLU 86 4.632 16.144 1.515 1381 1HB GLU 86 HB2 GLU 86 3.544 16.570 -0.615 1382 2HB GLU 86 HB1 GLU 86 3.579 14.829 -0.333 1383 1HG GLU 86 HG2 GLU 86 1.250 15.093 0.680 1384 2HG GLU 86 HG1 GLU 86 1.239 16.713 -0.014 1385 H PHE 87 HN PHE 87 1.286 16.262 2.602 1386 HA PHE 87 HA PHE 87 0.947 19.101 2.263 1387 1HB PHE 87 HB2 PHE 87 -0.927 17.470 2.659 1388 2HB PHE 87 HB1 PHE 87 -0.382 17.325 4.331 1389 HD1 PHE 87 HD1 PHE 87 -0.492 19.261 5.868 1390 HD2 PHE 87 HD2 PHE 87 -2.040 19.467 1.865 1391 HE1 PHE 87 HE1 PHE 87 -1.737 21.325 6.454 1392 HE2 PHE 87 HE2 PHE 87 -3.283 21.530 2.452 1393 HZ PHE 87 HZ PHE 87 -3.132 22.459 4.746 1394 H PHE 88 HN PHE 88 1.902 17.121 5.080 1395 HA PHE 88 HA PHE 88 2.360 19.409 6.785 1396 1HB PHE 88 HB2 PHE 88 1.951 17.102 7.642 1397 2HB PHE 88 HB1 PHE 88 3.521 16.615 7.001 1398 HD1 PHE 88 HD1 PHE 88 5.520 17.044 8.207 1399 HD2 PHE 88 HD2 PHE 88 1.864 18.984 9.360 1400 HE1 PHE 88 HE1 PHE 88 6.621 17.899 10.259 1401 HE2 PHE 88 HE2 PHE 88 2.964 19.837 11.412 1402 HZ PHE 88 HZ PHE 88 5.342 19.295 11.861 1403 H GLU 89 HN GLU 89 4.412 17.473 4.637 1404 HA GLU 89 HA GLU 89 6.801 19.051 5.383 1405 1HB GLU 89 HB2 GLU 89 6.736 16.502 4.819 1406 2HB GLU 89 HB1 GLU 89 6.675 17.031 3.138 1407 1HG GLU 89 HG2 GLU 89 8.724 18.511 3.748 1408 2HG GLU 89 HG1 GLU 89 8.860 17.482 5.174 1409 H HIS 90 HN HIS 90 4.542 20.426 4.106 1410 HA HIS 90 HA HIS 90 5.162 20.850 1.316 1411 1HB HIS 90 HB2 HIS 90 2.943 21.364 2.394 1412 2HB HIS 90 HB1 HIS 90 3.711 22.734 3.195 1413 HD1 HIS 90 HD1 HIS 90 2.900 21.438 -0.277 1414 HD2 HIS 90 HD2 HIS 90 4.048 24.995 1.574 1415 HE1 HIS 90 HE1 HIS 90 2.741 23.250 -2.043 1416 HE2 HIS 90 HE2 HIS 90 3.436 25.419 -0.926 1417 H GLU 91 HN GLU 91 7.285 21.464 0.977 1418 HA GLU 91 HA GLU 91 8.691 23.357 2.636 1419 1HB GLU 91 HB2 GLU 91 9.863 21.705 1.222 1420 2HB GLU 91 HB1 GLU 91 9.232 22.494 -0.223 1421 1HG GLU 91 HG2 GLU 91 10.434 24.544 0.314 1422 2HG GLU 91 HG1 GLU 91 10.974 23.862 1.848 Start of MODEL 16 1 1H MET 0 HT1 MET 0 -11.280 3.695 17.489 2 2H MET 0 HT2 MET 0 -12.167 4.141 16.110 3 3H MET 0 HT3 MET 0 -10.479 4.338 16.139 4 HA MET 0 HA MET 0 -10.348 1.841 16.465 5 1HB MET 0 HB2 MET 0 -12.976 1.955 16.873 6 2HB MET 0 HB1 MET 0 -13.045 1.819 15.119 7 1HG MET 0 HG2 MET 0 -11.841 -0.131 17.096 8 2HG MET 0 HG1 MET 0 -13.137 -0.419 15.937 9 1HE MET 0 HE1 MET 0 -9.878 -1.925 16.373 10 2HE MET 0 HE2 MET 0 -10.236 -2.696 14.830 11 3HE MET 0 HE3 MET 0 -11.523 -2.463 16.010 12 H SER 1 HN SER 1 -9.093 3.589 14.909 13 HA SER 1 HA SER 1 -9.840 2.988 12.067 14 1HB SER 1 HB2 SER 1 -7.902 5.075 13.088 15 2HB SER 1 HB1 SER 1 -8.545 4.924 11.455 16 HG SER 1 HG SER 1 -9.822 5.730 13.834 17 H GLU 2 HN GLU 2 -8.879 0.807 12.495 18 HA GLU 2 HA GLU 2 -6.195 0.280 13.146 19 1HB GLU 2 HB2 GLU 2 -8.040 -1.067 11.164 20 2HB GLU 2 HB1 GLU 2 -6.406 -1.667 11.461 21 1HG GLU 2 HG2 GLU 2 -6.961 -1.772 13.912 22 2HG GLU 2 HG1 GLU 2 -8.624 -1.346 13.505 23 H LEU 3 HN LEU 3 -7.541 1.606 10.196 24 HA LEU 3 HA LEU 3 -5.146 1.364 8.607 25 1HB LEU 3 HB2 LEU 3 -7.791 2.667 8.379 26 2HB LEU 3 HB1 LEU 3 -6.517 3.516 7.520 27 HG LEU 3 HG LEU 3 -7.833 1.746 6.214 28 1HD1 LEU 3 HD11 LEU 3 -4.822 1.815 6.381 29 2HD1 LEU 3 HD12 LEU 3 -5.881 2.585 5.203 30 3HD1 LEU 3 HD13 LEU 3 -5.658 0.836 5.177 31 1HD2 LEU 3 HD21 LEU 3 -5.984 -0.320 7.360 32 2HD2 LEU 3 HD22 LEU 3 -7.565 -0.499 6.619 33 3HD2 LEU 3 HD23 LEU 3 -7.441 0.082 8.276 34 H GLU 4 HN GLU 4 -6.055 3.505 11.154 35 HA GLU 4 HA GLU 4 -4.372 5.734 10.334 36 1HB GLU 4 HB2 GLU 4 -6.200 6.154 11.882 37 2HB GLU 4 HB1 GLU 4 -5.567 4.964 13.017 38 1HG GLU 4 HG2 GLU 4 -3.838 7.285 12.170 39 2HG GLU 4 HG1 GLU 4 -5.066 7.517 13.412 40 H LYS 5 HN LYS 5 -3.999 2.766 12.070 41 HA LYS 5 HA LYS 5 -1.448 3.358 13.298 42 1HB LYS 5 HB2 LYS 5 -2.229 0.555 12.485 43 2HB LYS 5 HB1 LYS 5 -1.395 1.093 13.941 44 1HG LYS 5 HG2 LYS 5 -4.319 1.634 13.346 45 2HG LYS 5 HG1 LYS 5 -3.744 0.302 14.329 46 1HD LYS 5 HD2 LYS 5 -3.093 1.675 16.087 47 2HD LYS 5 HD1 LYS 5 -2.833 3.071 15.051 48 1HE LYS 5 HE2 LYS 5 -5.272 3.272 14.712 49 2HE LYS 5 HE1 LYS 5 -5.522 1.905 15.800 50 1HZ LYS 5 HZ1 LYS 5 -3.965 3.448 17.301 51 2HZ LYS 5 HZ2 LYS 5 -5.661 3.529 17.332 52 3HZ LYS 5 HZ3 LYS 5 -4.773 4.645 16.410 53 H ALA 6 HN ALA 6 -2.448 1.707 10.326 54 HA ALA 6 HA ALA 6 0.177 1.098 9.405 55 1HB ALA 6 HB1 ALA 6 -1.989 0.128 8.550 56 2HB ALA 6 HB2 ALA 6 -0.866 0.631 7.287 57 3HB ALA 6 HB3 ALA 6 -2.248 1.646 7.692 58 H MET 7 HN MET 7 -1.978 3.742 8.363 59 HA MET 7 HA MET 7 -0.183 4.988 6.618 60 1HB MET 7 HB2 MET 7 -2.244 6.249 8.453 61 2HB MET 7 HB1 MET 7 -1.398 7.134 7.188 62 1HG MET 7 HG2 MET 7 -2.287 5.116 5.670 63 2HG MET 7 HG1 MET 7 -3.510 5.023 6.938 64 1HE MET 7 HE1 MET 7 -5.365 5.438 5.564 65 2HE MET 7 HE2 MET 7 -5.975 7.047 5.182 66 3HE MET 7 HE3 MET 7 -5.691 6.595 6.861 67 H VAL 8 HN VAL 8 -0.354 5.318 10.155 68 HA VAL 8 HA VAL 8 1.717 7.383 10.158 69 HB VAL 8 HB VAL 8 0.478 5.702 12.354 70 1HG1 VAL 8 HG11 VAL 8 1.648 7.404 13.870 71 2HG1 VAL 8 HG12 VAL 8 2.660 7.795 12.479 72 3HG1 VAL 8 HG13 VAL 8 2.680 6.166 13.153 73 1HG2 VAL 8 HG21 VAL 8 0.332 8.674 11.761 74 2HG2 VAL 8 HG22 VAL 8 -0.608 7.787 12.961 75 3HG2 VAL 8 HG23 VAL 8 -0.881 7.504 11.241 76 H ALA 9 HN ALA 9 1.614 3.903 10.778 77 HA ALA 9 HA ALA 9 4.330 3.602 11.577 78 1HB ALA 9 HB1 ALA 9 2.840 1.533 9.961 79 2HB ALA 9 HB2 ALA 9 2.402 1.878 11.634 80 3HB ALA 9 HB3 ALA 9 4.016 1.282 11.251 81 H LEU 10 HN LEU 10 2.839 3.741 8.346 82 HA LEU 10 HA LEU 10 5.369 3.059 7.037 83 1HB LEU 10 HB2 LEU 10 2.597 3.748 6.148 84 2HB LEU 10 HB1 LEU 10 3.898 4.016 4.988 85 HG LEU 10 HG LEU 10 4.645 1.664 5.314 86 1HD1 LEU 10 HD11 LEU 10 3.140 0.116 6.535 87 2HD1 LEU 10 HD12 LEU 10 2.153 1.491 7.033 88 3HD1 LEU 10 HD13 LEU 10 3.815 1.345 7.604 89 1HD2 LEU 10 HD21 LEU 10 2.830 0.634 4.075 90 2HD2 LEU 10 HD22 LEU 10 2.995 2.306 3.538 91 3HD2 LEU 10 HD23 LEU 10 1.696 1.858 4.644 92 H ILE 11 HN ILE 11 3.497 6.108 7.367 93 HA ILE 11 HA ILE 11 5.044 7.821 5.860 94 HB ILE 11 HB ILE 11 3.731 8.253 8.551 95 1HG1 ILE 11 HG12 ILE 11 3.031 9.394 5.841 96 2HG1 ILE 11 HG11 ILE 11 2.444 7.819 6.366 97 1HG2 ILE 11 HG21 ILE 11 5.210 10.239 6.807 98 2HG2 ILE 11 HG22 ILE 11 5.446 9.928 8.527 99 3HG2 ILE 11 HG23 ILE 11 3.979 10.731 7.970 100 1HD1 ILE 11 HD11 ILE 11 0.969 9.935 6.817 101 2HD1 ILE 11 HD12 ILE 11 2.088 10.222 8.148 102 3HD1 ILE 11 HD13 ILE 11 1.146 8.733 8.093 103 H ASP 12 HN ASP 12 5.907 6.408 8.987 104 HA ASP 12 HA ASP 12 8.293 8.073 9.266 105 1HB ASP 12 HB2 ASP 12 7.811 5.435 10.663 106 2HB ASP 12 HB1 ASP 12 8.767 6.807 11.223 107 H VAL 13 HN VAL 13 7.760 4.621 8.504 108 HA VAL 13 HA VAL 13 10.540 4.204 7.786 109 HB VAL 13 HB VAL 13 8.067 2.532 7.224 110 1HG1 VAL 13 HG11 VAL 13 9.831 0.687 7.031 111 2HG1 VAL 13 HG12 VAL 13 11.019 1.985 6.878 112 3HG1 VAL 13 HG13 VAL 13 9.735 1.818 5.680 113 1HG2 VAL 13 HG21 VAL 13 9.100 1.157 9.119 114 2HG2 VAL 13 HG22 VAL 13 8.388 2.700 9.587 115 3HG2 VAL 13 HG23 VAL 13 10.137 2.549 9.431 116 H PHE 14 HN PHE 14 7.695 5.260 6.138 117 HA PHE 14 HA PHE 14 8.505 4.645 3.448 118 1HB PHE 14 HB2 PHE 14 6.235 5.214 3.690 119 2HB PHE 14 HB1 PHE 14 6.604 6.638 4.648 120 HD1 PHE 14 HD1 PHE 14 5.403 8.259 3.385 121 HD2 PHE 14 HD2 PHE 14 8.300 5.744 1.447 122 HE1 PHE 14 HE1 PHE 14 5.287 9.680 1.362 123 HE2 PHE 14 HE2 PHE 14 8.184 7.170 -0.571 124 HZ PHE 14 HZ PHE 14 6.680 9.141 -0.615 125 H HIS 15 HN HIS 15 8.691 7.836 5.119 126 HA HIS 15 HA HIS 15 10.494 8.818 3.032 127 1HB HIS 15 HB2 HIS 15 9.017 9.972 5.323 128 2HB HIS 15 HB1 HIS 15 10.575 10.740 5.030 129 HD1 HIS 15 HD1 HIS 15 7.529 9.673 2.974 130 HD2 HIS 15 HD2 HIS 15 10.454 12.641 3.024 131 HE1 HIS 15 HE1 HIS 15 6.992 11.246 1.065 132 H GLN 16 HN GLN 16 10.944 7.397 6.228 133 HA GLN 16 HA GLN 16 13.551 8.433 6.753 134 1HB GLN 16 HB2 GLN 16 12.149 5.869 7.504 135 2HB GLN 16 HB1 GLN 16 13.835 6.123 7.951 136 1HG GLN 16 HG2 GLN 16 13.315 8.017 9.279 137 2HG GLN 16 HG1 GLN 16 11.710 8.179 8.569 138 1HE2 GLN 16 HE21 GLN 16 12.360 4.892 9.072 139 2HE2 GLN 16 HE22 GLN 16 11.581 4.706 10.569 140 H TYR 17 HN TYR 17 12.487 5.648 4.853 141 HA TYR 17 HA TYR 17 15.230 4.923 4.124 142 1HB TYR 17 HB2 TYR 17 12.482 3.919 3.474 143 2HB TYR 17 HB1 TYR 17 13.776 3.528 2.348 144 HD1 TYR 17 HD1 TYR 17 15.431 1.893 2.878 145 HD2 TYR 17 HD2 TYR 17 12.728 3.283 5.914 146 HE1 TYR 17 HE1 TYR 17 16.233 0.111 4.406 147 HE2 TYR 17 HE2 TYR 17 13.528 1.499 7.440 148 HH TYR 17 HH TYR 17 15.412 0.063 7.761 149 H SER 18 HN SER 18 12.505 6.580 2.540 150 HA SER 18 HA SER 18 13.801 6.978 0.029 151 1HB SER 18 HB2 SER 18 12.010 8.366 -0.450 152 2HB SER 18 HB1 SER 18 11.341 7.601 0.987 153 HG SER 18 HG SER 18 12.117 9.353 2.199 154 H GLY 19 HN GLY 19 13.867 8.785 3.079 155 1HA GLY 19 HA2 GLY 19 15.691 10.819 2.014 156 2HA GLY 19 HA1 GLY 19 15.127 10.700 3.679 157 H ARG 20 HN ARG 20 16.255 7.673 2.684 158 HA ARG 20 HA ARG 20 18.539 7.799 4.446 159 1HB ARG 20 HB2 ARG 20 17.379 5.677 4.001 160 2HB ARG 20 HB1 ARG 20 17.811 5.777 2.299 161 1HG ARG 20 HG2 ARG 20 20.231 5.705 2.962 162 2HG ARG 20 HG1 ARG 20 19.725 5.487 4.637 163 1HD ARG 20 HD2 ARG 20 18.391 3.465 3.815 164 2HD ARG 20 HD1 ARG 20 19.277 3.626 2.296 165 HE ARG 20 HE ARG 20 20.966 3.514 4.699 166 1HH1 ARG 20 HH21 ARG 20 19.384 1.842 2.126 167 2HH1 ARG 20 HH22 ARG 20 20.446 0.476 2.188 168 1HH2 ARG 20 HH11 ARG 20 22.356 1.741 4.791 169 2HH2 ARG 20 HH12 ARG 20 22.127 0.418 3.695 170 H GLU 21 HN GLU 21 18.215 7.598 0.909 171 HA GLU 21 HA GLU 21 20.648 9.239 0.590 172 1HB GLU 21 HB2 GLU 21 21.757 7.512 -0.840 173 2HB GLU 21 HB1 GLU 21 21.623 7.021 0.848 174 1HG GLU 21 HG2 GLU 21 19.590 5.722 0.312 175 2HG GLU 21 HG1 GLU 21 19.727 6.207 -1.378 176 H GLY 22 HN GLY 22 21.016 9.810 -1.690 177 1HA GLY 22 HA2 GLY 22 20.285 10.449 -3.818 178 2HA GLY 22 HA1 GLY 22 19.219 9.049 -3.776 179 H ASP 23 HN ASP 23 17.800 10.680 -4.943 180 HA ASP 23 HA ASP 23 16.704 12.957 -3.626 181 1HB ASP 23 HB2 ASP 23 15.199 11.220 -5.588 182 2HB ASP 23 HB1 ASP 23 15.052 12.960 -5.339 183 H LYS 24 HN LYS 24 15.285 13.103 -1.971 184 HA LYS 24 HA LYS 24 14.253 10.710 -0.694 185 1HB LYS 24 HB2 LYS 24 13.203 12.290 0.884 186 2HB LYS 24 HB1 LYS 24 14.897 12.701 0.614 187 1HG LYS 24 HG2 LYS 24 14.058 14.298 -1.212 188 2HG LYS 24 HG1 LYS 24 12.449 14.052 -0.533 189 1HD LYS 24 HD2 LYS 24 13.455 14.695 1.728 190 2HD LYS 24 HD1 LYS 24 14.872 15.237 0.829 191 1HE LYS 24 HE2 LYS 24 13.434 16.750 -0.507 192 2HE LYS 24 HE1 LYS 24 12.034 16.231 0.433 193 1HZ LYS 24 HZ1 LYS 24 14.285 17.922 1.225 194 2HZ LYS 24 HZ2 LYS 24 13.601 16.912 2.409 195 3HZ LYS 24 HZ3 LYS 24 12.639 18.060 1.608 196 H HIS 25 HN HIS 25 11.842 10.651 -0.092 197 HA HIS 25 HA HIS 25 9.567 10.728 -0.670 198 1HB HIS 25 HB2 HIS 25 10.348 13.036 -1.778 199 2HB HIS 25 HB1 HIS 25 10.101 12.139 -3.272 200 HD2 HIS 25 HD2 HIS 25 7.335 11.024 -3.444 201 HE1 HIS 25 HE1 HIS 25 5.791 14.078 -0.966 202 HE2 HIS 25 HE2 HIS 25 5.181 12.234 -2.602 203 H LYS 26 HN LYS 26 12.071 9.366 -2.416 204 HA LYS 26 HA LYS 26 10.141 7.527 -3.757 205 1HB LYS 26 HB2 LYS 26 12.744 8.453 -4.991 206 2HB LYS 26 HB1 LYS 26 11.476 7.489 -5.749 207 1HG LYS 26 HG2 LYS 26 9.971 9.614 -5.135 208 2HG LYS 26 HG1 LYS 26 11.529 10.435 -5.162 209 1HD LYS 26 HD2 LYS 26 10.896 10.657 -7.395 210 2HD LYS 26 HD1 LYS 26 11.815 9.156 -7.476 211 1HE LYS 26 HE2 LYS 26 9.595 7.947 -7.062 212 2HE LYS 26 HE1 LYS 26 8.811 9.494 -7.376 213 1HZ LYS 26 HZ1 LYS 26 8.856 8.554 -9.453 214 2HZ LYS 26 HZ2 LYS 26 10.351 7.785 -9.207 215 3HZ LYS 26 HZ3 LYS 26 10.289 9.460 -9.486 216 H LEU 27 HN LEU 27 10.830 5.405 -3.800 217 HA LEU 27 HA LEU 27 13.057 4.775 -1.925 218 1HB LEU 27 HB2 LEU 27 10.674 3.259 -2.959 219 2HB LEU 27 HB1 LEU 27 12.089 2.331 -2.486 220 HG LEU 27 HG LEU 27 11.893 3.903 -0.275 221 1HD1 LEU 27 HD11 LEU 27 9.465 4.058 0.316 222 2HD1 LEU 27 HD12 LEU 27 9.082 3.702 -1.366 223 3HD1 LEU 27 HD13 LEU 27 9.964 5.170 -0.956 224 1HD2 LEU 27 HD21 LEU 27 10.441 1.348 -0.923 225 2HD2 LEU 27 HD22 LEU 27 10.476 2.036 0.699 226 3HD2 LEU 27 HD23 LEU 27 11.974 1.549 -0.081 227 H LYS 28 HN LYS 28 14.873 3.901 -2.566 228 HA LYS 28 HA LYS 28 15.281 3.310 -5.487 229 1HB LYS 28 HB2 LYS 28 17.422 3.971 -3.452 230 2HB LYS 28 HB1 LYS 28 17.570 3.949 -5.212 231 1HG LYS 28 HG2 LYS 28 15.656 5.739 -5.146 232 2HG LYS 28 HG1 LYS 28 16.133 5.943 -3.462 233 1HD LYS 28 HD2 LYS 28 18.405 6.489 -4.117 234 2HD LYS 28 HD1 LYS 28 18.040 6.148 -5.808 235 1HE LYS 28 HE2 LYS 28 16.995 8.417 -4.103 236 2HE LYS 28 HE1 LYS 28 17.912 8.519 -5.607 237 1HZ LYS 28 HZ1 LYS 28 15.906 8.766 -6.526 238 2HZ LYS 28 HZ2 LYS 28 15.085 8.100 -5.196 239 3HZ LYS 28 HZ3 LYS 28 15.784 7.082 -6.362 240 H LYS 29 HN LYS 29 16.729 1.448 -5.961 241 HA LYS 29 HA LYS 29 16.014 -0.928 -4.708 242 1HB LYS 29 HB2 LYS 29 18.652 -0.221 -6.026 243 2HB LYS 29 HB1 LYS 29 18.205 -1.863 -5.560 244 1HG LYS 29 HG2 LYS 29 16.041 -1.433 -6.956 245 2HG LYS 29 HG1 LYS 29 16.946 -0.093 -7.656 246 1HD LYS 29 HD2 LYS 29 17.807 -3.001 -7.631 247 2HD LYS 29 HD1 LYS 29 17.205 -2.111 -9.030 248 1HE LYS 29 HE2 LYS 29 19.792 -1.690 -7.528 249 2HE LYS 29 HE1 LYS 29 19.572 -2.047 -9.240 250 1HZ LYS 29 HZ1 LYS 29 20.078 0.289 -8.872 251 2HZ LYS 29 HZ2 LYS 29 18.712 0.447 -7.875 252 3HZ LYS 29 HZ3 LYS 29 18.525 0.103 -9.528 253 H SER 30 HN SER 30 18.855 1.083 -3.906 254 HA SER 30 HA SER 30 19.905 -0.493 -1.830 255 1HB SER 30 HB2 SER 30 19.785 2.498 -2.221 256 2HB SER 30 HB1 SER 30 20.534 1.809 -0.783 257 HG SER 30 HG SER 30 22.210 1.602 -2.036 258 H GLU 31 HN GLU 31 16.894 1.084 -2.020 259 HA GLU 31 HA GLU 31 16.463 0.961 0.938 260 1HB GLU 31 HB2 GLU 31 14.581 2.036 -1.178 261 2HB GLU 31 HB1 GLU 31 14.494 2.282 0.559 262 1HG GLU 31 HG2 GLU 31 16.778 3.398 0.402 263 2HG GLU 31 HG1 GLU 31 16.569 3.371 -1.349 264 H LEU 32 HN LEU 32 15.087 -0.193 -2.131 265 HA LEU 32 HA LEU 32 13.086 -1.793 -0.898 266 1HB LEU 32 HB2 LEU 32 13.756 -1.166 -3.506 267 2HB LEU 32 HB1 LEU 32 14.197 -2.868 -3.437 268 HG LEU 32 HG LEU 32 11.489 -1.807 -2.551 269 1HD1 LEU 32 HD11 LEU 32 10.592 -2.423 -4.662 270 2HD1 LEU 32 HD12 LEU 32 12.068 -3.255 -5.140 271 3HD1 LEU 32 HD13 LEU 32 12.043 -1.496 -5.041 272 1HD2 LEU 32 HD21 LEU 32 12.119 -3.954 -1.564 273 2HD2 LEU 32 HD22 LEU 32 12.562 -4.579 -3.152 274 3HD2 LEU 32 HD23 LEU 32 10.875 -4.215 -2.787 275 H LYS 33 HN LYS 33 16.314 -2.783 -2.121 276 HA LYS 33 HA LYS 33 16.099 -5.429 -1.038 277 1HB LYS 33 HB2 LYS 33 17.653 -4.783 -2.824 278 2HB LYS 33 HB1 LYS 33 18.519 -3.732 -1.705 279 1HG LYS 33 HG2 LYS 33 18.894 -5.864 -0.284 280 2HG LYS 33 HG1 LYS 33 18.363 -6.749 -1.713 281 1HD LYS 33 HD2 LYS 33 20.629 -6.661 -2.190 282 2HD LYS 33 HD1 LYS 33 20.142 -5.128 -2.912 283 1HE LYS 33 HE2 LYS 33 22.051 -4.647 -1.553 284 2HE LYS 33 HE1 LYS 33 20.652 -4.046 -0.664 285 1HZ LYS 33 HZ1 LYS 33 21.267 -6.800 -0.116 286 2HZ LYS 33 HZ2 LYS 33 20.963 -5.520 0.959 287 3HZ LYS 33 HZ3 LYS 33 22.520 -5.740 0.316 288 H GLU 34 HN GLU 34 17.296 -2.359 0.276 289 HA GLU 34 HA GLU 34 18.323 -3.650 2.705 290 1HB GLU 34 HB2 GLU 34 19.235 -1.489 1.803 291 2HB GLU 34 HB1 GLU 34 17.740 -0.705 2.324 292 1HG GLU 34 HG2 GLU 34 19.349 -0.393 4.085 293 2HG GLU 34 HG1 GLU 34 18.210 -1.614 4.650 294 H LEU 35 HN LEU 35 15.321 -2.083 1.759 295 HA LEU 35 HA LEU 35 14.262 -1.939 4.458 296 1HB LEU 35 HB2 LEU 35 13.399 -0.544 2.569 297 2HB LEU 35 HB1 LEU 35 12.784 -2.011 1.806 298 HG LEU 35 HG LEU 35 11.528 -2.378 4.089 299 1HD1 LEU 35 HD11 LEU 35 10.901 -0.183 5.134 300 2HD1 LEU 35 HD12 LEU 35 12.156 0.588 4.170 301 3HD1 LEU 35 HD13 LEU 35 12.590 -0.618 5.380 302 1HD2 LEU 35 HD21 LEU 35 9.661 -0.903 3.280 303 2HD2 LEU 35 HD22 LEU 35 10.334 -1.945 2.027 304 3HD2 LEU 35 HD23 LEU 35 10.772 -0.238 2.084 305 H ILE 36 HN ILE 36 14.259 -4.284 1.845 306 HA ILE 36 HA ILE 36 12.384 -6.139 3.004 307 HB ILE 36 HB ILE 36 14.600 -6.418 0.972 308 1HG1 ILE 36 HG12 ILE 36 11.607 -6.670 0.608 309 2HG1 ILE 36 HG11 ILE 36 12.415 -5.108 0.527 310 1HG2 ILE 36 HG21 ILE 36 12.734 -8.482 2.135 311 2HG2 ILE 36 HG22 ILE 36 14.460 -8.613 1.806 312 3HG2 ILE 36 HG23 ILE 36 13.306 -8.624 0.475 313 1HD1 ILE 36 HD11 ILE 36 12.095 -6.354 -1.698 314 2HD1 ILE 36 HD12 ILE 36 13.334 -7.466 -1.121 315 3HD1 ILE 36 HD13 ILE 36 13.720 -5.764 -1.354 316 H ASN 37 HN ASN 37 15.890 -5.756 3.173 317 HA ASN 37 HA ASN 37 16.254 -8.106 4.874 318 1HB ASN 37 HB2 ASN 37 18.173 -5.859 4.211 319 2HB ASN 37 HB1 ASN 37 18.601 -7.397 4.959 320 1HD2 ASN 37 HD21 ASN 37 19.996 -7.879 3.070 321 2HD2 ASN 37 HD22 ASN 37 19.303 -8.384 1.605 322 H ASN 38 HN ASN 38 15.652 -4.710 5.423 323 HA ASN 38 HA ASN 38 16.583 -4.909 8.244 324 1HB ASN 38 HB2 ASN 38 15.672 -2.623 6.501 325 2HB ASN 38 HB1 ASN 38 15.909 -2.427 8.238 326 1HD2 ASN 38 HD21 ASN 38 17.794 -1.065 8.025 327 2HD2 ASN 38 HD22 ASN 38 19.271 -1.654 7.433 328 H GLU 39 HN GLU 39 13.507 -4.179 6.530 329 HA GLU 39 HA GLU 39 12.100 -4.421 9.171 330 1HB GLU 39 HB2 GLU 39 11.400 -3.098 6.551 331 2HB GLU 39 HB1 GLU 39 10.145 -3.483 7.727 332 1HG GLU 39 HG2 GLU 39 10.943 -1.188 8.069 333 2HG GLU 39 HG1 GLU 39 11.385 -2.195 9.448 334 H LEU 40 HN LEU 40 11.347 -5.240 5.783 335 HA LEU 40 HA LEU 40 9.593 -7.400 6.620 336 1HB LEU 40 HB2 LEU 40 10.586 -7.420 3.808 337 2HB LEU 40 HB1 LEU 40 8.936 -7.491 4.414 338 HG LEU 40 HG LEU 40 10.650 -4.985 4.237 339 1HD1 LEU 40 HD11 LEU 40 8.197 -5.793 2.669 340 2HD1 LEU 40 HD12 LEU 40 9.852 -5.925 2.073 341 3HD1 LEU 40 HD13 LEU 40 9.170 -4.340 2.441 342 1HD2 LEU 40 HD21 LEU 40 8.888 -5.103 6.132 343 2HD2 LEU 40 HD22 LEU 40 7.686 -5.156 4.846 344 3HD2 LEU 40 HD23 LEU 40 8.745 -3.753 5.007 345 H SER 41 HN SER 41 12.340 -7.590 7.629 346 HA SER 41 HA SER 41 13.566 -9.778 6.080 347 1HB SER 41 HB2 SER 41 14.652 -7.792 7.518 348 2HB SER 41 HB1 SER 41 14.592 -9.013 8.780 349 HG SER 41 HG SER 41 15.494 -10.382 6.907 350 H HIS 42 HN HIS 42 11.400 -9.440 8.778 351 HA HIS 42 HA HIS 42 12.015 -12.160 9.790 352 1HB HIS 42 HB2 HIS 42 9.752 -10.395 10.733 353 2HB HIS 42 HB1 HIS 42 10.625 -11.642 11.625 354 HD1 HIS 42 HD1 HIS 42 12.858 -10.989 12.717 355 HD2 HIS 42 HD2 HIS 42 11.167 -7.906 10.472 356 HE1 HIS 42 HE1 HIS 42 14.170 -8.892 13.272 357 HE2 HIS 42 HE2 HIS 42 13.148 -7.011 11.911 358 H PHE 43 HN PHE 43 9.704 -10.476 7.793 359 HA PHE 43 HA PHE 43 7.948 -12.893 7.680 360 1HB PHE 43 HB2 PHE 43 7.553 -10.018 6.816 361 2HB PHE 43 HB1 PHE 43 6.417 -11.311 6.419 362 HD1 PHE 43 HD1 PHE 43 7.594 -9.043 8.993 363 HD2 PHE 43 HD2 PHE 43 5.342 -12.632 8.289 364 HE1 PHE 43 HE1 PHE 43 6.567 -8.839 11.241 365 HE2 PHE 43 HE2 PHE 43 4.316 -12.429 10.537 366 HZ PHE 43 HZ PHE 43 4.928 -10.532 12.013 367 H LEU 44 HN LEU 44 9.545 -10.544 5.475 368 HA LEU 44 HA LEU 44 9.182 -12.457 3.257 369 1HB LEU 44 HB2 LEU 44 8.965 -9.878 3.059 370 2HB LEU 44 HB1 LEU 44 10.722 -9.863 3.107 371 HG LEU 44 HG LEU 44 10.793 -11.369 1.145 372 1HD1 LEU 44 HD11 LEU 44 7.833 -11.356 1.574 373 2HD1 LEU 44 HD12 LEU 44 8.880 -12.641 0.975 374 3HD1 LEU 44 HD13 LEU 44 8.393 -11.337 -0.099 375 1HD2 LEU 44 HD21 LEU 44 9.282 -8.755 0.973 376 2HD2 LEU 44 HD22 LEU 44 9.716 -9.657 -0.478 377 3HD2 LEU 44 HD23 LEU 44 10.978 -9.070 0.603 378 H GLU 45 HN GLU 45 10.828 -13.728 2.441 379 HA GLU 45 HA GLU 45 12.986 -14.497 4.029 380 1HB GLU 45 HB2 GLU 45 12.141 -15.625 1.900 381 2HB GLU 45 HB1 GLU 45 13.134 -14.470 1.009 382 1HG GLU 45 HG2 GLU 45 15.074 -15.245 2.532 383 2HG GLU 45 HG1 GLU 45 14.031 -16.606 2.947 384 H GLU 46 HN GLU 46 14.986 -13.700 4.437 385 HA GLU 46 HA GLU 46 15.656 -10.999 3.970 386 1HB GLU 46 HB2 GLU 46 18.045 -11.810 4.503 387 2HB GLU 46 HB1 GLU 46 16.811 -12.096 5.728 388 1HG GLU 46 HG2 GLU 46 17.341 -14.210 3.640 389 2HG GLU 46 HG1 GLU 46 18.424 -14.061 5.021 390 H ILE 47 HN ILE 47 15.213 -10.745 1.639 391 HA ILE 47 HA ILE 47 16.559 -12.147 -0.417 392 HB ILE 47 HB ILE 47 15.345 -9.406 -0.191 393 1HG1 ILE 47 HG12 ILE 47 14.829 -11.761 -2.035 394 2HG1 ILE 47 HG11 ILE 47 13.959 -11.451 -0.540 395 1HG2 ILE 47 HG21 ILE 47 17.053 -10.381 -2.479 396 2HG2 ILE 47 HG22 ILE 47 17.170 -8.856 -1.599 397 3HG2 ILE 47 HG23 ILE 47 15.819 -9.139 -2.688 398 1HD1 ILE 47 HD11 ILE 47 12.719 -9.748 -1.455 399 2HD1 ILE 47 HD12 ILE 47 13.069 -10.609 -2.948 400 3HD1 ILE 47 HD13 ILE 47 14.027 -9.199 -2.505 401 H LYS 48 HN LYS 48 18.653 -12.249 -0.938 402 HA LYS 48 HA LYS 48 20.528 -10.128 0.066 403 1HB LYS 48 HB2 LYS 48 22.257 -11.854 0.047 404 2HB LYS 48 HB1 LYS 48 20.885 -12.425 0.997 405 1HG LYS 48 HG2 LYS 48 20.042 -13.531 -1.151 406 2HG LYS 48 HG1 LYS 48 21.638 -13.201 -1.826 407 1HD LYS 48 HD2 LYS 48 22.647 -14.420 0.122 408 2HD LYS 48 HD1 LYS 48 21.016 -14.863 0.630 409 1HE LYS 48 HE2 LYS 48 22.239 -15.531 -2.064 410 2HE LYS 48 HE1 LYS 48 22.079 -16.658 -0.716 411 1HZ LYS 48 HZ1 LYS 48 19.640 -15.285 -1.408 412 2HZ LYS 48 HZ2 LYS 48 19.912 -16.934 -1.104 413 3HZ LYS 48 HZ3 LYS 48 20.233 -16.287 -2.641 414 H GLU 49 HN GLU 49 19.187 -11.724 -2.672 415 HA GLU 49 HA GLU 49 21.323 -10.697 -4.489 416 1HB GLU 49 HB2 GLU 49 18.919 -12.380 -5.238 417 2HB GLU 49 HB1 GLU 49 20.401 -12.136 -6.163 418 1HG GLU 49 HG2 GLU 49 21.632 -13.198 -4.179 419 2HG GLU 49 HG1 GLU 49 20.044 -13.703 -3.603 420 H GLN 50 HN GLN 50 20.714 -9.325 -6.271 421 HA GLN 50 HA GLN 50 18.399 -7.578 -5.641 422 1HB GLN 50 HB2 GLN 50 20.658 -7.315 -7.647 423 2HB GLN 50 HB1 GLN 50 19.400 -6.106 -7.389 424 1HG GLN 50 HG2 GLN 50 20.132 -5.658 -5.177 425 2HG GLN 50 HG1 GLN 50 21.130 -7.111 -5.127 426 1HE2 GLN 50 HE21 GLN 50 20.822 -4.227 -7.295 427 2HE2 GLN 50 HE22 GLN 50 22.494 -3.965 -7.418 428 H GLU 51 HN GLU 51 19.424 -9.927 -8.023 429 HA GLU 51 HA GLU 51 17.927 -9.286 -10.243 430 1HB GLU 51 HB2 GLU 51 17.857 -11.645 -10.797 431 2HB GLU 51 HB1 GLU 51 19.404 -11.297 -10.025 432 1HG GLU 51 HG2 GLU 51 18.329 -12.002 -7.828 433 2HG GLU 51 HG1 GLU 51 16.973 -12.603 -8.783 434 H VAL 52 HN VAL 52 16.658 -10.620 -7.222 435 HA VAL 52 HA VAL 52 14.011 -11.012 -8.366 436 HB VAL 52 HB VAL 52 13.292 -11.354 -6.035 437 1HG1 VAL 52 HG11 VAL 52 14.483 -13.192 -7.216 438 2HG1 VAL 52 HG12 VAL 52 14.770 -13.229 -5.476 439 3HG1 VAL 52 HG13 VAL 52 16.009 -12.599 -6.561 440 1HG2 VAL 52 HG21 VAL 52 15.108 -11.145 -4.257 441 2HG2 VAL 52 HG22 VAL 52 14.503 -9.620 -4.901 442 3HG2 VAL 52 HG23 VAL 52 16.053 -10.258 -5.449 443 H VAL 53 HN VAL 53 15.678 -8.507 -6.558 444 HA VAL 53 HA VAL 53 13.356 -6.817 -6.311 445 HB VAL 53 HB VAL 53 16.044 -6.766 -5.400 446 1HG1 VAL 53 HG11 VAL 53 15.464 -4.249 -6.991 447 2HG1 VAL 53 HG12 VAL 53 16.644 -5.477 -7.451 448 3HG1 VAL 53 HG13 VAL 53 16.872 -4.544 -5.971 449 1HG2 VAL 53 HG21 VAL 53 14.052 -6.091 -4.124 450 2HG2 VAL 53 HG22 VAL 53 13.914 -4.638 -5.112 451 3HG2 VAL 53 HG23 VAL 53 15.307 -4.853 -4.054 452 H ASP 54 HN ASP 54 15.527 -7.664 -8.821 453 HA ASP 54 HA ASP 54 14.876 -5.349 -10.516 454 1HB ASP 54 HB2 ASP 54 17.049 -6.712 -10.638 455 2HB ASP 54 HB1 ASP 54 16.090 -7.973 -11.414 456 H LYS 55 HN LYS 55 13.821 -8.678 -10.021 457 HA LYS 55 HA LYS 55 11.977 -8.541 -12.317 458 1HB LYS 55 HB2 LYS 55 11.845 -10.823 -12.147 459 2HB LYS 55 HB1 LYS 55 13.278 -10.634 -11.151 460 1HG LYS 55 HG2 LYS 55 11.980 -11.967 -9.766 461 2HG LYS 55 HG1 LYS 55 11.497 -10.387 -9.180 462 1HD LYS 55 HD2 LYS 55 9.604 -10.540 -10.970 463 2HD LYS 55 HD1 LYS 55 10.006 -12.253 -11.028 464 1HE LYS 55 HE2 LYS 55 9.763 -12.213 -8.459 465 2HE LYS 55 HE1 LYS 55 8.959 -10.659 -8.688 466 1HZ LYS 55 HZ1 LYS 55 8.158 -13.280 -9.824 467 2HZ LYS 55 HZ2 LYS 55 7.463 -11.800 -10.286 468 3HZ LYS 55 HZ3 LYS 55 7.310 -12.352 -8.685 469 H VAL 56 HN VAL 56 11.839 -8.227 -8.797 470 HA VAL 56 HA VAL 56 8.977 -8.259 -8.593 471 HB VAL 56 HB VAL 56 10.859 -8.230 -6.699 472 1HG1 VAL 56 HG11 VAL 56 11.217 -6.115 -5.654 473 2HG1 VAL 56 HG12 VAL 56 10.023 -5.323 -6.680 474 3HG1 VAL 56 HG13 VAL 56 11.551 -5.866 -7.363 475 1HG2 VAL 56 HG21 VAL 56 8.516 -8.622 -6.218 476 2HG2 VAL 56 HG22 VAL 56 8.138 -6.916 -6.457 477 3HG2 VAL 56 HG23 VAL 56 9.121 -7.416 -5.082 478 H MET 57 HN MET 57 11.336 -5.688 -9.184 479 HA MET 57 HA MET 57 9.478 -3.520 -9.340 480 1HB MET 57 HB2 MET 57 12.152 -4.033 -10.657 481 2HB MET 57 HB1 MET 57 11.248 -2.547 -10.944 482 1HG MET 57 HG2 MET 57 11.297 -1.978 -8.604 483 2HG MET 57 HG1 MET 57 11.971 -3.552 -8.181 484 1HE MET 57 HE1 MET 57 12.690 -0.013 -8.566 485 2HE MET 57 HE2 MET 57 14.405 -0.114 -8.163 486 3HE MET 57 HE3 MET 57 13.222 -0.938 -7.151 487 H GLU 58 HN GLU 58 10.462 -5.987 -11.661 488 HA GLU 58 HA GLU 58 9.207 -4.863 -13.968 489 1HB GLU 58 HB2 GLU 58 10.805 -6.914 -13.764 490 2HB GLU 58 HB1 GLU 58 9.339 -7.834 -13.434 491 1HG GLU 58 HG2 GLU 58 8.383 -7.187 -15.566 492 2HG GLU 58 HG1 GLU 58 9.723 -6.083 -15.882 493 H THR 59 HN THR 59 7.995 -6.658 -11.233 494 HA THR 59 HA THR 59 5.331 -7.009 -12.446 495 HB THR 59 HB THR 59 6.272 -7.602 -9.628 496 HG1 THR 59 HG1 THR 59 6.322 -9.054 -12.037 497 1HG2 THR 59 HG21 THR 59 3.834 -7.434 -9.868 498 2HG2 THR 59 HG22 THR 59 4.313 -9.114 -9.623 499 3HG2 THR 59 HG23 THR 59 3.886 -8.547 -11.237 500 H LEU 60 HN LEU 60 6.968 -4.886 -10.164 501 HA LEU 60 HA LEU 60 4.363 -3.577 -9.494 502 1HB LEU 60 HB2 LEU 60 7.093 -3.594 -8.241 503 2HB LEU 60 HB1 LEU 60 6.014 -2.243 -7.916 504 HG LEU 60 HG LEU 60 5.840 -4.040 -6.225 505 1HD1 LEU 60 HD11 LEU 60 3.794 -2.573 -7.241 506 2HD1 LEU 60 HD12 LEU 60 3.575 -3.733 -5.936 507 3HD1 LEU 60 HD13 LEU 60 3.179 -4.191 -7.590 508 1HD2 LEU 60 HD21 LEU 60 6.294 -5.870 -7.951 509 2HD2 LEU 60 HD22 LEU 60 4.593 -5.731 -8.397 510 3HD2 LEU 60 HD23 LEU 60 5.039 -6.219 -6.763 511 H ASP 61 HN ASP 61 7.617 -2.709 -10.877 512 HA ASP 61 HA ASP 61 7.123 0.033 -11.193 513 1HB ASP 61 HB2 ASP 61 9.249 -1.385 -11.610 514 2HB ASP 61 HB1 ASP 61 8.588 -1.640 -13.223 515 H GLU 62 HN GLU 62 5.265 0.737 -11.979 516 HA GLU 62 HA GLU 62 4.040 -0.519 -14.357 517 1HB GLU 62 HB2 GLU 62 2.628 0.170 -12.409 518 2HB GLU 62 HB1 GLU 62 3.110 1.842 -12.695 519 1HG GLU 62 HG2 GLU 62 2.150 1.689 -14.994 520 2HG GLU 62 HG1 GLU 62 1.589 0.058 -14.618 521 H ASP 63 HN ASP 63 5.358 2.591 -13.310 522 HA ASP 63 HA ASP 63 5.140 3.738 -15.983 523 1HB ASP 63 HB2 ASP 63 6.658 5.522 -14.906 524 2HB ASP 63 HB1 ASP 63 5.055 5.317 -14.200 525 H GLY 64 HN GLY 64 7.119 1.403 -14.636 526 1HA GLY 64 HA2 GLY 64 9.173 0.494 -15.368 527 2HA GLY 64 HA1 GLY 64 8.905 1.371 -16.873 528 H ASP 65 HN ASP 65 9.267 2.641 -13.570 529 HA ASP 65 HA ASP 65 11.362 4.497 -14.610 530 1HB ASP 65 HB2 ASP 65 11.045 5.645 -12.410 531 2HB ASP 65 HB1 ASP 65 9.559 5.539 -13.355 532 H GLY 66 HN GLY 66 11.221 1.508 -13.114 533 1HA GLY 66 HA2 GLY 66 12.931 0.223 -12.120 534 2HA GLY 66 HA1 GLY 66 14.060 1.512 -12.553 535 H GLU 67 HN GLU 67 11.446 2.774 -10.927 536 HA GLU 67 HA GLU 67 12.772 2.569 -8.247 537 1HB GLU 67 HB2 GLU 67 11.629 5.037 -9.598 538 2HB GLU 67 HB1 GLU 67 12.072 4.960 -7.891 539 1HG GLU 67 HG2 GLU 67 14.383 4.491 -8.449 540 2HG GLU 67 HG1 GLU 67 13.985 4.354 -10.162 541 H CYS 68 HN CYS 68 11.078 3.368 -6.537 542 HA CYS 68 HA CYS 68 8.347 2.390 -7.329 543 1HB CYS 68 HB2 CYS 68 9.960 1.778 -4.844 544 2HB CYS 68 HB1 CYS 68 8.235 1.441 -4.992 545 HG CYS 68 HG CYS 68 10.417 -0.267 -6.151 546 H ASP 69 HN ASP 69 7.538 4.562 -7.499 547 HA ASP 69 HA ASP 69 7.877 6.626 -5.617 548 1HB ASP 69 HB2 ASP 69 6.630 6.694 -7.867 549 2HB ASP 69 HB1 ASP 69 5.236 6.068 -6.985 550 H PHE 70 HN PHE 70 5.384 7.264 -4.464 551 HA PHE 70 HA PHE 70 5.389 5.408 -2.229 552 1HB PHE 70 HB2 PHE 70 3.371 7.007 -1.582 553 2HB PHE 70 HB1 PHE 70 5.034 7.578 -1.493 554 HD1 PHE 70 HD1 PHE 70 5.694 9.477 -2.709 555 HD2 PHE 70 HD2 PHE 70 2.108 7.410 -3.837 556 HE1 PHE 70 HE1 PHE 70 5.188 11.257 -4.359 557 HE2 PHE 70 HE2 PHE 70 1.603 9.185 -5.490 558 HZ PHE 70 HZ PHE 70 3.142 11.112 -5.748 559 H GLN 71 HN GLN 71 3.285 5.935 -5.007 560 HA GLN 71 HA GLN 71 1.103 4.390 -3.912 561 1HB GLN 71 HB2 GLN 71 0.219 4.427 -6.277 562 2HB GLN 71 HB1 GLN 71 0.509 6.010 -5.561 563 1HG GLN 71 HG2 GLN 71 1.421 6.154 -7.745 564 2HG GLN 71 HG1 GLN 71 2.818 5.917 -6.703 565 1HE2 GLN 71 HE21 GLN 71 3.785 5.065 -8.832 566 2HE2 GLN 71 HE22 GLN 71 3.526 3.431 -9.212 567 H GLU 72 HN GLU 72 3.888 3.630 -5.918 568 HA GLU 72 HA GLU 72 2.905 0.885 -6.366 569 1HB GLU 72 HB2 GLU 72 4.116 2.017 -8.152 570 2HB GLU 72 HB1 GLU 72 5.482 2.311 -7.080 571 1HG GLU 72 HG2 GLU 72 5.726 -0.200 -6.839 572 2HG GLU 72 HG1 GLU 72 4.501 -0.370 -8.097 573 H PHE 73 HN PHE 73 5.318 2.633 -4.464 574 HA PHE 73 HA PHE 73 6.669 0.414 -3.344 575 1HB PHE 73 HB2 PHE 73 7.569 2.603 -2.988 576 2HB PHE 73 HB1 PHE 73 6.062 3.174 -2.283 577 HD1 PHE 73 HD1 PHE 73 8.130 0.091 -1.630 578 HD2 PHE 73 HD2 PHE 73 6.435 3.711 -0.044 579 HE1 PHE 73 HE1 PHE 73 8.972 -0.495 0.618 580 HE2 PHE 73 HE2 PHE 73 7.280 3.114 2.203 581 HZ PHE 73 HZ PHE 73 8.569 1.030 2.527 582 H MET 74 HN MET 74 3.641 2.003 -2.409 583 HA MET 74 HA MET 74 3.315 0.310 -0.055 584 1HB MET 74 HB2 MET 74 1.927 2.587 -1.275 585 2HB MET 74 HB1 MET 74 0.783 1.361 -0.740 586 1HG MET 74 HG2 MET 74 2.999 2.314 1.073 587 2HG MET 74 HG1 MET 74 1.472 3.187 0.954 588 1HE MET 74 HE1 MET 74 -0.697 1.533 3.362 589 2HE MET 74 HE2 MET 74 -0.808 2.362 1.808 590 3HE MET 74 HE3 MET 74 0.296 2.963 3.044 591 H ALA 75 HN ALA 75 2.843 0.005 -3.382 592 HA ALA 75 HA ALA 75 0.771 -2.116 -3.171 593 1HB ALA 75 HB1 ALA 75 1.103 -2.416 -5.580 594 2HB ALA 75 HB2 ALA 75 2.530 -1.384 -5.540 595 3HB ALA 75 HB3 ALA 75 0.936 -0.695 -5.234 596 H PHE 76 HN PHE 76 4.137 -1.736 -2.927 597 HA PHE 76 HA PHE 76 4.836 -4.486 -3.582 598 1HB PHE 76 HB2 PHE 76 6.606 -2.880 -3.786 599 2HB PHE 76 HB1 PHE 76 6.349 -2.295 -2.148 600 HD1 PHE 76 HD1 PHE 76 6.803 -5.687 -3.724 601 HD2 PHE 76 HD2 PHE 76 8.061 -2.917 -0.685 602 HE1 PHE 76 HE1 PHE 76 8.413 -7.359 -2.862 603 HE2 PHE 76 HE2 PHE 76 9.675 -4.591 0.165 604 HZ PHE 76 HZ PHE 76 9.849 -6.814 -0.922 605 H VAL 77 HN VAL 77 4.616 -2.720 -0.462 606 HA VAL 77 HA VAL 77 5.010 -4.941 1.238 607 HB VAL 77 HB VAL 77 3.207 -2.523 1.579 608 1HG1 VAL 77 HG11 VAL 77 3.453 -3.141 4.054 609 2HG1 VAL 77 HG12 VAL 77 3.996 -4.724 3.495 610 3HG1 VAL 77 HG13 VAL 77 2.374 -4.159 3.100 611 1HG2 VAL 77 HG21 VAL 77 5.030 -1.615 2.856 612 2HG2 VAL 77 HG22 VAL 77 5.719 -2.210 1.345 613 3HG2 VAL 77 HG23 VAL 77 5.893 -3.152 2.826 614 H SER 78 HN SER 78 2.196 -3.913 -0.564 615 HA SER 78 HA SER 78 0.304 -5.689 0.638 616 1HB SER 78 HB2 SER 78 -0.064 -5.041 -2.219 617 2HB SER 78 HB1 SER 78 -1.157 -4.766 -0.869 618 HG SER 78 HG SER 78 0.803 -3.201 -0.381 619 H MET 79 HN MET 79 2.613 -5.957 -1.996 620 HA MET 79 HA MET 79 1.646 -8.519 -2.914 621 1HB MET 79 HB2 MET 79 2.927 -7.042 -4.397 622 2HB MET 79 HB1 MET 79 4.332 -7.186 -3.342 623 1HG MET 79 HG2 MET 79 4.833 -9.318 -4.076 624 2HG MET 79 HG1 MET 79 3.141 -9.759 -4.294 625 1HE MET 79 HE1 MET 79 6.268 -8.171 -5.586 626 2HE MET 79 HE2 MET 79 6.113 -8.328 -7.335 627 3HE MET 79 HE3 MET 79 6.122 -9.772 -6.326 628 H VAL 80 HN VAL 80 3.914 -7.486 -0.454 629 HA VAL 80 HA VAL 80 4.844 -10.269 -0.060 630 HB VAL 80 HB VAL 80 6.568 -9.423 1.234 631 1HG1 VAL 80 HG11 VAL 80 7.428 -7.431 0.309 632 2HG1 VAL 80 HG12 VAL 80 5.822 -6.771 0.025 633 3HG1 VAL 80 HG13 VAL 80 6.409 -8.107 -0.963 634 1HG2 VAL 80 HG21 VAL 80 5.304 -8.631 3.117 635 2HG2 VAL 80 HG22 VAL 80 4.635 -7.295 2.185 636 3HG2 VAL 80 HG23 VAL 80 6.342 -7.299 2.613 637 H THR 81 HN THR 81 2.672 -7.853 1.242 638 HA THR 81 HA THR 81 2.058 -9.381 3.644 639 HB THR 81 HB THR 81 0.411 -7.248 2.267 640 HG1 THR 81 HG1 THR 81 1.864 -6.594 4.485 641 1HG2 THR 81 HG21 THR 81 -0.363 -6.887 4.667 642 2HG2 THR 81 HG22 THR 81 0.396 -8.438 5.035 643 3HG2 THR 81 HG23 THR 81 -0.933 -8.358 3.878 644 H THR 82 HN THR 82 0.738 -9.097 0.321 645 HA THR 82 HA THR 82 -1.632 -10.615 0.845 646 HB THR 82 HB THR 82 -1.501 -11.006 -1.675 647 HG1 THR 82 HG1 THR 82 0.646 -10.858 -2.040 648 1HG2 THR 82 HG21 THR 82 -2.837 -9.174 -1.281 649 2HG2 THR 82 HG22 THR 82 -1.460 -8.298 -1.953 650 3HG2 THR 82 HG23 THR 82 -1.668 -8.409 -0.206 651 H ALA 83 HN ALA 83 1.688 -11.603 -0.074 652 HA ALA 83 HA ALA 83 0.996 -14.348 -0.566 653 1HB ALA 83 HB1 ALA 83 3.486 -14.701 -0.129 654 2HB ALA 83 HB2 ALA 83 3.587 -12.969 0.184 655 3HB ALA 83 HB3 ALA 83 3.099 -13.550 -1.407 656 H CYS 84 HN CYS 84 1.850 -12.483 2.298 657 HA CYS 84 HA CYS 84 2.211 -14.730 4.067 658 1HB CYS 84 HB2 CYS 84 3.012 -12.500 4.685 659 2HB CYS 84 HB1 CYS 84 1.366 -11.868 4.636 660 HG CYS 84 HG CYS 84 0.793 -13.137 6.775 661 H HIS 85 HN HIS 85 -0.604 -12.676 3.302 662 HA HIS 85 HA HIS 85 -2.358 -14.167 5.063 663 1HB HIS 85 HB2 HIS 85 -3.878 -12.525 4.557 664 2HB HIS 85 HB1 HIS 85 -2.531 -11.733 3.749 665 HD1 HIS 85 HD1 HIS 85 -2.307 -12.306 1.092 666 HD2 HIS 85 HD2 HIS 85 -5.957 -13.245 2.874 667 HE1 HIS 85 HE1 HIS 85 -3.961 -12.640 -0.795 668 H GLU 86 HN GLU 86 -1.259 -14.497 1.770 669 HA GLU 86 HA GLU 86 -3.304 -16.318 0.873 670 1HB GLU 86 HB2 GLU 86 -1.724 -15.071 -0.635 671 2HB GLU 86 HB1 GLU 86 -0.431 -16.128 -0.069 672 1HG GLU 86 HG2 GLU 86 -1.281 -17.031 -2.147 673 2HG GLU 86 HG1 GLU 86 -1.793 -18.096 -0.839 674 H PHE 87 HN PHE 87 -0.005 -16.826 2.117 675 HA PHE 87 HA PHE 87 -0.026 -19.655 2.104 676 1HB PHE 87 HB2 PHE 87 2.022 -18.426 2.591 677 2HB PHE 87 HB1 PHE 87 1.304 -17.737 4.047 678 HD1 PHE 87 HD1 PHE 87 1.172 -18.982 6.089 679 HD2 PHE 87 HD2 PHE 87 2.486 -20.887 2.469 680 HE1 PHE 87 HE1 PHE 87 1.906 -20.958 7.395 681 HE2 PHE 87 HE2 PHE 87 3.220 -22.863 3.777 682 HZ PHE 87 HZ PHE 87 2.931 -22.898 6.240 683 H PHE 88 HN PHE 88 -1.089 -17.377 4.638 684 HA PHE 88 HA PHE 88 -2.003 -19.507 6.398 685 1HB PHE 88 HB2 PHE 88 -1.360 -17.314 7.299 686 2HB PHE 88 HB1 PHE 88 -2.652 -16.543 6.376 687 HD1 PHE 88 HD1 PHE 88 -1.883 -18.813 9.189 688 HD2 PHE 88 HD2 PHE 88 -4.973 -16.747 7.035 689 HE1 PHE 88 HE1 PHE 88 -3.488 -19.315 11.010 690 HE2 PHE 88 HE2 PHE 88 -6.579 -17.249 8.858 691 HZ PHE 88 HZ PHE 88 -5.837 -18.533 10.844 692 H GLU 89 HN GLU 89 -3.478 -17.512 3.889 693 HA GLU 89 HA GLU 89 -6.186 -18.495 4.508 694 1HB GLU 89 HB2 GLU 89 -5.765 -16.183 3.643 695 2HB GLU 89 HB1 GLU 89 -5.201 -16.886 2.128 696 1HG GLU 89 HG2 GLU 89 -7.359 -17.767 1.621 697 2HG GLU 89 HG1 GLU 89 -7.937 -17.494 3.266 698 H HIS 90 HN HIS 90 -3.532 -19.832 3.049 699 HA HIS 90 HA HIS 90 -4.671 -21.000 0.680 700 1HB HIS 90 HB2 HIS 90 -2.219 -20.894 1.145 701 2HB HIS 90 HB1 HIS 90 -2.441 -22.089 2.424 702 HD1 HIS 90 HD1 HIS 90 -1.672 -24.298 1.557 703 HD2 HIS 90 HD2 HIS 90 -3.761 -22.154 -1.350 704 HE1 HIS 90 HE1 HIS 90 -1.835 -25.809 -0.472 705 HE2 HIS 90 HE2 HIS 90 -3.107 -24.515 -2.245 706 H GLU 91 HN GLU 91 -6.623 -22.058 1.009 707 HA GLU 91 HA GLU 91 -6.935 -23.909 3.287 708 1HB GLU 91 HB2 GLU 91 -8.831 -22.482 2.564 709 2HB GLU 91 HB1 GLU 91 -8.820 -23.284 0.993 710 1HG GLU 91 HG2 GLU 91 -9.377 -25.408 1.990 711 2HG GLU 91 HG1 GLU 91 -9.163 -24.759 3.616 712 1H MET 0 HT1 MET 0 11.554 -4.146 17.402 713 2H MET 0 HT2 MET 0 11.821 -4.707 15.820 714 3H MET 0 HT3 MET 0 10.244 -4.653 16.450 715 HA MET 0 HA MET 0 10.253 -2.281 16.492 716 1HB MET 0 HB2 MET 0 12.874 -2.410 16.921 717 2HB MET 0 HB1 MET 0 12.963 -2.237 15.172 718 1HG MET 0 HG2 MET 0 11.759 -0.323 17.180 719 2HG MET 0 HG1 MET 0 13.054 -0.017 16.025 720 1HE MET 0 HE1 MET 0 11.426 1.997 16.208 721 2HE MET 0 HE2 MET 0 9.754 1.501 16.456 722 3HE MET 0 HE3 MET 0 10.214 2.309 14.959 723 H SER 1 HN SER 1 9.005 -3.981 14.883 724 HA SER 1 HA SER 1 9.773 -3.306 12.062 725 1HB SER 1 HB2 SER 1 7.822 -5.417 13.004 726 2HB SER 1 HB1 SER 1 8.491 -5.225 11.387 727 HG SER 1 HG SER 1 10.375 -5.393 13.375 728 H GLU 2 HN GLU 2 8.814 -1.136 12.540 729 HA GLU 2 HA GLU 2 6.125 -0.623 13.190 730 1HB GLU 2 HB2 GLU 2 7.955 0.786 11.236 731 2HB GLU 2 HB1 GLU 2 6.328 1.375 11.585 732 1HG GLU 2 HG2 GLU 2 6.929 1.391 14.029 733 2HG GLU 2 HG1 GLU 2 8.585 0.984 13.573 734 H LEU 3 HN LEU 3 7.490 -1.874 10.218 735 HA LEU 3 HA LEU 3 5.111 -1.579 8.618 736 1HB LEU 3 HB2 LEU 3 7.752 -2.885 8.375 737 2HB LEU 3 HB1 LEU 3 6.481 -3.710 7.487 738 HG LEU 3 HG LEU 3 7.810 -1.908 6.235 739 1HD1 LEU 3 HD11 LEU 3 4.795 -1.935 6.378 740 2HD1 LEU 3 HD12 LEU 3 5.845 -2.743 5.218 741 3HD1 LEU 3 HD13 LEU 3 5.671 -0.989 5.178 742 1HD2 LEU 3 HD21 LEU 3 7.378 -0.300 8.349 743 2HD2 LEU 3 HD22 LEU 3 5.958 0.141 7.397 744 3HD2 LEU 3 HD23 LEU 3 7.566 0.323 6.714 745 H GLU 4 HN GLU 4 5.992 -3.796 11.113 746 HA GLU 4 HA GLU 4 4.305 -5.993 10.221 747 1HB GLU 4 HB2 GLU 4 6.123 -6.467 11.763 748 2HB GLU 4 HB1 GLU 4 5.494 -5.302 12.928 749 1HG GLU 4 HG2 GLU 4 3.755 -7.593 12.017 750 2HG GLU 4 HG1 GLU 4 4.979 -7.860 13.258 751 H LYS 5 HN LYS 5 3.933 -3.073 12.035 752 HA LYS 5 HA LYS 5 1.371 -3.688 13.232 753 1HB LYS 5 HB2 LYS 5 2.164 -0.867 12.501 754 2HB LYS 5 HB1 LYS 5 1.322 -1.441 13.937 755 1HG LYS 5 HG2 LYS 5 4.248 -1.979 13.344 756 2HG LYS 5 HG1 LYS 5 3.674 -0.667 14.354 757 1HD LYS 5 HD2 LYS 5 3.010 -2.076 16.078 758 2HD LYS 5 HD1 LYS 5 2.743 -3.446 15.009 759 1HE LYS 5 HE2 LYS 5 5.189 -3.646 14.673 760 2HE LYS 5 HE1 LYS 5 5.434 -2.320 15.810 761 1HZ LYS 5 HZ1 LYS 5 4.721 -3.582 17.578 762 2HZ LYS 5 HZ2 LYS 5 5.526 -4.752 16.644 763 3HZ LYS 5 HZ3 LYS 5 3.829 -4.652 16.609 764 H ALA 6 HN ALA 6 2.396 -1.965 10.311 765 HA ALA 6 HA ALA 6 -0.220 -1.322 9.391 766 1HB ALA 6 HB1 ALA 6 2.293 -1.793 7.771 767 2HB ALA 6 HB2 ALA 6 1.858 -0.270 8.540 768 3HB ALA 6 HB3 ALA 6 0.868 -0.911 7.230 769 H MET 7 HN MET 7 1.934 -3.946 8.295 770 HA MET 7 HA MET 7 0.149 -5.138 6.500 771 1HB MET 7 HB2 MET 7 2.188 -6.460 8.320 772 2HB MET 7 HB1 MET 7 1.353 -7.301 7.018 773 1HG MET 7 HG2 MET 7 2.273 -5.232 5.579 774 2HG MET 7 HG1 MET 7 3.483 -5.203 6.861 775 1HE MET 7 HE1 MET 7 5.673 -6.819 6.717 776 2HE MET 7 HE2 MET 7 5.345 -5.576 5.510 777 3HE MET 7 HE3 MET 7 5.931 -7.157 5.000 778 H VAL 8 HN VAL 8 0.290 -5.563 10.033 779 HA VAL 8 HA VAL 8 -1.787 -7.624 9.963 780 HB VAL 8 HB VAL 8 -0.546 -6.019 12.213 781 1HG1 VAL 8 HG11 VAL 8 -2.794 -8.041 12.251 782 2HG1 VAL 8 HG12 VAL 8 -2.738 -6.457 13.023 783 3HG1 VAL 8 HG13 VAL 8 -1.765 -7.783 13.660 784 1HG2 VAL 8 HG21 VAL 8 0.585 -8.057 12.731 785 2HG2 VAL 8 HG22 VAL 8 0.716 -7.885 10.981 786 3HG2 VAL 8 HG23 VAL 8 -0.466 -8.996 11.673 787 H ALA 9 HN ALA 9 -1.676 -4.164 10.678 788 HA ALA 9 HA ALA 9 -4.396 -3.879 11.465 789 1HB ALA 9 HB1 ALA 9 -2.571 -2.139 11.682 790 2HB ALA 9 HB2 ALA 9 -4.104 -1.525 11.064 791 3HB ALA 9 HB3 ALA 9 -2.764 -1.822 9.957 792 H LEU 10 HN LEU 10 -2.883 -3.933 8.240 793 HA LEU 10 HA LEU 10 -5.406 -3.210 6.939 794 1HB LEU 10 HB2 LEU 10 -2.631 -3.876 6.040 795 2HB LEU 10 HB1 LEU 10 -3.929 -4.106 4.870 796 HG LEU 10 HG LEU 10 -4.677 -1.768 5.263 797 1HD1 LEU 10 HD11 LEU 10 -3.188 -0.254 6.532 798 2HD1 LEU 10 HD12 LEU 10 -2.185 -1.631 6.987 799 3HD1 LEU 10 HD13 LEU 10 -3.847 -1.521 7.564 800 1HD2 LEU 10 HD21 LEU 10 -3.043 -2.332 3.462 801 2HD2 LEU 10 HD22 LEU 10 -1.728 -1.966 4.581 802 3HD2 LEU 10 HD23 LEU 10 -2.840 -0.692 4.078 803 H ILE 11 HN ILE 11 -3.540 -6.270 7.195 804 HA ILE 11 HA ILE 11 -5.082 -7.938 5.631 805 HB ILE 11 HB ILE 11 -3.795 -8.449 8.322 806 1HG1 ILE 11 HG12 ILE 11 -3.067 -9.516 5.588 807 2HG1 ILE 11 HG11 ILE 11 -2.489 -7.954 6.157 808 1HG2 ILE 11 HG21 ILE 11 -5.505 -10.120 8.238 809 2HG2 ILE 11 HG22 ILE 11 -4.044 -10.913 7.650 810 3HG2 ILE 11 HG23 ILE 11 -5.274 -10.371 6.508 811 1HD1 ILE 11 HD11 ILE 11 -0.841 -9.722 6.641 812 2HD1 ILE 11 HD12 ILE 11 -2.058 -10.609 7.558 813 3HD1 ILE 11 HD13 ILE 11 -1.486 -9.044 8.134 814 H ASP 12 HN ASP 12 -5.959 -6.605 8.788 815 HA ASP 12 HA ASP 12 -8.351 -8.268 9.025 816 1HB ASP 12 HB2 ASP 12 -7.845 -5.656 10.462 817 2HB ASP 12 HB1 ASP 12 -8.833 -7.016 10.997 818 H VAL 13 HN VAL 13 -7.811 -4.800 8.347 819 HA VAL 13 HA VAL 13 -10.586 -4.364 7.620 820 HB VAL 13 HB VAL 13 -8.110 -2.681 7.118 821 1HG1 VAL 13 HG11 VAL 13 -9.812 -1.967 5.581 822 2HG1 VAL 13 HG12 VAL 13 -9.831 -0.827 6.928 823 3HG1 VAL 13 HG13 VAL 13 -11.062 -2.086 6.819 824 1HG2 VAL 13 HG21 VAL 13 -9.144 -1.355 9.043 825 2HG2 VAL 13 HG22 VAL 13 -8.452 -2.917 9.476 826 3HG2 VAL 13 HG23 VAL 13 -10.198 -2.745 9.308 827 H PHE 14 HN PHE 14 -7.731 -5.382 5.965 828 HA PHE 14 HA PHE 14 -8.519 -4.690 3.289 829 1HB PHE 14 HB2 PHE 14 -6.253 -5.274 3.529 830 2HB PHE 14 HB1 PHE 14 -6.634 -6.721 4.446 831 HD1 PHE 14 HD1 PHE 14 -5.424 -8.308 3.145 832 HD2 PHE 14 HD2 PHE 14 -8.307 -5.739 1.264 833 HE1 PHE 14 HE1 PHE 14 -5.299 -9.675 1.082 834 HE2 PHE 14 HE2 PHE 14 -8.183 -7.107 -0.795 835 HZ PHE 14 HZ PHE 14 -6.680 -9.077 -0.885 836 H HIS 15 HN HIS 15 -8.726 -7.926 4.871 837 HA HIS 15 HA HIS 15 -10.517 -8.844 2.746 838 1HB HIS 15 HB2 HIS 15 -9.060 -10.065 5.015 839 2HB HIS 15 HB1 HIS 15 -10.618 -10.819 4.687 840 HD1 HIS 15 HD1 HIS 15 -7.545 -9.711 2.689 841 HD2 HIS 15 HD2 HIS 15 -10.487 -12.665 2.632 842 HE1 HIS 15 HE1 HIS 15 -6.987 -11.249 0.754 843 H GLN 16 HN GLN 16 -10.984 -7.515 5.980 844 HA GLN 16 HA GLN 16 -13.600 -8.551 6.455 845 1HB GLN 16 HB2 GLN 16 -12.202 -6.008 7.286 846 2HB GLN 16 HB1 GLN 16 -13.890 -6.282 7.718 847 1HG GLN 16 HG2 GLN 16 -13.370 -8.209 8.995 848 2HG GLN 16 HG1 GLN 16 -11.761 -8.347 8.289 849 1HE2 GLN 16 HE21 GLN 16 -12.420 -5.077 8.875 850 2HE2 GLN 16 HE22 GLN 16 -11.649 -4.931 10.381 851 H TYR 17 HN TYR 17 -12.514 -5.719 4.637 852 HA TYR 17 HA TYR 17 -15.249 -4.966 3.908 853 1HB TYR 17 HB2 TYR 17 -12.493 -3.950 3.304 854 2HB TYR 17 HB1 TYR 17 -13.781 -3.528 2.181 855 HD1 TYR 17 HD1 TYR 17 -15.435 -1.901 2.741 856 HD2 TYR 17 HD2 TYR 17 -12.755 -3.378 5.757 857 HE1 TYR 17 HE1 TYR 17 -16.243 -0.161 4.311 858 HE2 TYR 17 HE2 TYR 17 -13.563 -1.633 7.326 859 HH TYR 17 HH TYR 17 -16.194 0.580 6.415 860 H SER 18 HN SER 18 -12.517 -6.591 2.301 861 HA SER 18 HA SER 18 -13.802 -6.914 -0.230 862 1HB SER 18 HB2 SER 18 -12.023 -8.310 -0.741 863 2HB SER 18 HB1 SER 18 -11.347 -7.569 0.706 864 HG SER 18 HG SER 18 -11.189 -9.718 1.054 865 H GLY 19 HN GLY 19 -13.890 -8.801 2.769 866 1HA GLY 19 HA2 GLY 19 -15.711 -10.802 1.640 867 2HA GLY 19 HA1 GLY 19 -15.158 -10.728 3.312 868 H ARG 20 HN ARG 20 -16.273 -7.674 2.392 869 HA ARG 20 HA ARG 20 -18.569 -7.847 4.134 870 1HB ARG 20 HB2 ARG 20 -17.405 -5.718 3.774 871 2HB ARG 20 HB1 ARG 20 -17.809 -5.760 2.062 872 1HG ARG 20 HG2 ARG 20 -20.245 -5.710 2.701 873 2HG ARG 20 HG1 ARG 20 -19.752 -5.526 4.384 874 1HD ARG 20 HD2 ARG 20 -18.404 -3.492 3.600 875 2HD ARG 20 HD1 ARG 20 -19.299 -3.618 2.083 876 HE ARG 20 HE ARG 20 -20.975 -3.555 4.497 877 1HH1 ARG 20 HH21 ARG 20 -19.394 -1.824 1.963 878 2HH1 ARG 20 HH22 ARG 20 -20.458 -0.461 2.054 879 1HH2 ARG 20 HH11 ARG 20 -22.368 -1.786 4.625 880 2HH2 ARG 20 HH12 ARG 20 -22.141 -0.440 3.562 881 H GLU 21 HN GLU 21 -18.222 -7.548 0.605 882 HA GLU 21 HA GLU 21 -20.659 -9.172 0.228 883 1HB GLU 21 HB2 GLU 21 -21.740 -7.400 -1.183 884 2HB GLU 21 HB1 GLU 21 -21.644 -6.970 0.527 885 1HG GLU 21 HG2 GLU 21 -19.610 -5.647 0.091 886 2HG GLU 21 HG1 GLU 21 -19.688 -6.080 -1.618 887 H GLY 22 HN GLY 22 -21.012 -9.682 -2.069 888 1HA GLY 22 HA2 GLY 22 -20.268 -10.267 -4.208 889 2HA GLY 22 HA1 GLY 22 -19.198 -8.873 -4.120 890 H ASP 23 HN ASP 23 -17.776 -10.473 -5.321 891 HA ASP 23 HA ASP 23 -16.693 -12.790 -4.062 892 1HB ASP 23 HB2 ASP 23 -15.181 -10.992 -5.965 893 2HB ASP 23 HB1 ASP 23 -15.024 -12.739 -5.763 894 H LYS 24 HN LYS 24 -15.287 -12.982 -2.400 895 HA LYS 24 HA LYS 24 -14.256 -10.626 -1.052 896 1HB LYS 24 HB2 LYS 24 -13.209 -12.257 0.483 897 2HB LYS 24 HB1 LYS 24 -14.909 -12.638 0.208 898 1HG LYS 24 HG2 LYS 24 -14.122 -14.209 -1.644 899 2HG LYS 24 HG1 LYS 24 -12.489 -13.983 -1.015 900 1HD LYS 24 HD2 LYS 24 -13.420 -14.661 1.266 901 2HD LYS 24 HD1 LYS 24 -14.875 -15.177 0.412 902 1HE LYS 24 HE2 LYS 24 -13.464 -16.656 -1.021 903 2HE LYS 24 HE1 LYS 24 -12.057 -16.195 -0.062 904 1HZ LYS 24 HZ1 LYS 24 -13.173 -17.055 1.908 905 2HZ LYS 24 HZ2 LYS 24 -12.997 -18.264 0.728 906 3HZ LYS 24 HZ3 LYS 24 -14.506 -17.522 0.968 907 H HIS 25 HN HIS 25 -11.850 -10.590 -0.434 908 HA HIS 25 HA HIS 25 -9.572 -10.658 -0.998 909 1HB HIS 25 HB2 HIS 25 -10.350 -12.931 -2.172 910 2HB HIS 25 HB1 HIS 25 -10.092 -11.995 -3.639 911 HD2 HIS 25 HD2 HIS 25 -7.323 -10.878 -3.759 912 HE1 HIS 25 HE1 HIS 25 -5.796 -14.010 -1.372 913 HE2 HIS 25 HE2 HIS 25 -5.178 -12.122 -2.948 914 H LYS 26 HN LYS 26 -12.059 -9.241 -2.722 915 HA LYS 26 HA LYS 26 -10.114 -7.374 -4.003 916 1HB LYS 26 HB2 LYS 26 -12.711 -8.268 -5.274 917 2HB LYS 26 HB1 LYS 26 -11.442 -7.281 -5.999 918 1HG LYS 26 HG2 LYS 26 -9.934 -9.419 -5.435 919 2HG LYS 26 HG1 LYS 26 -11.491 -10.243 -5.487 920 1HD LYS 26 HD2 LYS 26 -10.839 -10.411 -7.720 921 2HD LYS 26 HD1 LYS 26 -11.775 -8.919 -7.771 922 1HE LYS 26 HE2 LYS 26 -9.577 -7.687 -7.334 923 2HE LYS 26 HE1 LYS 26 -8.766 -9.217 -7.657 924 1HZ LYS 26 HZ1 LYS 26 -10.566 -7.750 -9.506 925 2HZ LYS 26 HZ2 LYS 26 -9.902 -9.284 -9.816 926 3HZ LYS 26 HZ3 LYS 26 -8.888 -7.929 -9.663 927 H LEU 27 HN LEU 27 -10.798 -5.249 -3.991 928 HA LEU 27 HA LEU 27 -13.036 -4.664 -2.119 929 1HB LEU 27 HB2 LEU 27 -10.646 -3.122 -3.095 930 2HB LEU 27 HB1 LEU 27 -12.064 -2.208 -2.604 931 HG LEU 27 HG LEU 27 -11.884 -3.837 -0.438 932 1HD1 LEU 27 HD11 LEU 27 -9.957 -5.092 -1.167 933 2HD1 LEU 27 HD12 LEU 27 -9.469 -4.041 0.162 934 3HD1 LEU 27 HD13 LEU 27 -9.063 -3.609 -1.495 935 1HD2 LEU 27 HD21 LEU 27 -11.948 -1.482 -0.190 936 2HD2 LEU 27 HD22 LEU 27 -10.403 -1.278 -1.006 937 3HD2 LEU 27 HD23 LEU 27 -10.465 -2.007 0.597 938 H LYS 28 HN LYS 28 -14.845 -3.769 -2.746 939 HA LYS 28 HA LYS 28 -15.235 -3.102 -5.653 940 1HB LYS 28 HB2 LYS 28 -17.380 -3.823 -3.639 941 2HB LYS 28 HB1 LYS 28 -17.535 -3.736 -5.396 942 1HG LYS 28 HG2 LYS 28 -15.629 -5.526 -5.417 943 2HG LYS 28 HG1 LYS 28 -16.077 -5.790 -3.732 944 1HD LYS 28 HD2 LYS 28 -18.364 -6.305 -4.373 945 2HD LYS 28 HD1 LYS 28 -18.015 -5.921 -6.057 946 1HE LYS 28 HE2 LYS 28 -16.969 -8.239 -4.422 947 2HE LYS 28 HE1 LYS 28 -17.885 -8.294 -5.928 948 1HZ LYS 28 HZ1 LYS 28 -16.003 -7.254 -7.051 949 2HZ LYS 28 HZ2 LYS 28 -15.566 -8.733 -6.339 950 3HZ LYS 28 HZ3 LYS 28 -15.118 -7.268 -5.605 951 H LYS 29 HN LYS 29 -16.671 -1.223 -6.090 952 HA LYS 29 HA LYS 29 -15.958 1.118 -4.770 953 1HB LYS 29 HB2 LYS 29 -18.585 0.451 -6.132 954 2HB LYS 29 HB1 LYS 29 -18.147 2.078 -5.611 955 1HG LYS 29 HG2 LYS 29 -15.973 1.704 -6.997 956 2HG LYS 29 HG1 LYS 29 -16.858 0.374 -7.745 957 1HD LYS 29 HD2 LYS 29 -17.737 3.277 -7.655 958 2HD LYS 29 HD1 LYS 29 -17.129 2.419 -9.072 959 1HE LYS 29 HE2 LYS 29 -19.716 1.956 -7.580 960 2HE LYS 29 HE1 LYS 29 -19.498 2.353 -9.284 961 1HZ LYS 29 HZ1 LYS 29 -18.864 -0.192 -7.911 962 2HZ LYS 29 HZ2 LYS 29 -18.262 0.185 -9.455 963 3HZ LYS 29 HZ3 LYS 29 -19.938 0.062 -9.199 964 H SER 30 HN SER 30 -18.807 -0.908 -4.042 965 HA SER 30 HA SER 30 -19.874 0.614 -1.932 966 1HB SER 30 HB2 SER 30 -19.756 -2.361 -2.418 967 2HB SER 30 HB1 SER 30 -20.500 -1.726 -0.952 968 HG SER 30 HG SER 30 -21.713 -0.330 -2.482 969 H GLU 31 HN GLU 31 -16.863 -0.962 -2.140 970 HA GLU 31 HA GLU 31 -16.454 -0.916 0.822 971 1HB GLU 31 HB2 GLU 31 -14.563 -1.944 -1.310 972 2HB GLU 31 HB1 GLU 31 -14.484 -2.232 0.422 973 1HG GLU 31 HG2 GLU 31 -16.765 -3.340 0.231 974 2HG GLU 31 HG1 GLU 31 -16.558 -3.267 -1.518 975 H LEU 32 HN LEU 32 -15.054 0.312 -2.207 976 HA LEU 32 HA LEU 32 -13.057 1.872 -0.918 977 1HB LEU 32 HB2 LEU 32 -13.711 1.323 -3.550 978 2HB LEU 32 HB1 LEU 32 -14.148 3.022 -3.432 979 HG LEU 32 HG LEU 32 -11.451 1.927 -2.563 980 1HD1 LEU 32 HD11 LEU 32 -10.704 3.126 -4.724 981 2HD1 LEU 32 HD12 LEU 32 -12.395 3.032 -5.211 982 3HD1 LEU 32 HD13 LEU 32 -11.486 1.555 -4.901 983 1HD2 LEU 32 HD21 LEU 32 -12.526 4.717 -3.077 984 2HD2 LEU 32 HD22 LEU 32 -10.834 4.349 -2.750 985 3HD2 LEU 32 HD23 LEU 32 -12.057 4.044 -1.516 986 H LYS 33 HN LYS 33 -16.274 2.902 -2.134 987 HA LYS 33 HA LYS 33 -16.058 5.518 -0.981 988 1HB LYS 33 HB2 LYS 33 -17.601 4.929 -2.793 989 2HB LYS 33 HB1 LYS 33 -18.476 3.847 -1.712 990 1HG LYS 33 HG2 LYS 33 -18.861 5.933 -0.230 991 2HG LYS 33 HG1 LYS 33 -18.315 6.862 -1.624 992 1HD LYS 33 HD2 LYS 33 -20.574 6.795 -2.133 993 2HD LYS 33 HD1 LYS 33 -20.087 5.278 -2.889 994 1HE LYS 33 HE2 LYS 33 -22.007 4.765 -1.564 995 2HE LYS 33 HE1 LYS 33 -20.621 4.148 -0.666 996 1HZ LYS 33 HZ1 LYS 33 -21.090 6.854 -0.001 997 2HZ LYS 33 HZ2 LYS 33 -21.095 5.490 1.011 998 3HZ LYS 33 HZ3 LYS 33 -22.517 5.962 0.212 999 H GLU 34 HN GLU 34 -17.273 2.420 0.243 1000 HA GLU 34 HA GLU 34 -18.312 3.648 2.697 1001 1HB GLU 34 HB2 GLU 34 -19.223 1.515 1.734 1002 2HB GLU 34 HB1 GLU 34 -17.732 0.715 2.242 1003 1HG GLU 34 HG2 GLU 34 -19.350 0.357 3.986 1004 2HG GLU 34 HG1 GLU 34 -18.212 1.561 4.588 1005 H LEU 35 HN LEU 35 -15.308 2.099 1.729 1006 HA LEU 35 HA LEU 35 -14.268 1.878 4.431 1007 1HB LEU 35 HB2 LEU 35 -13.395 0.536 2.508 1008 2HB LEU 35 HB1 LEU 35 -12.774 2.022 1.791 1009 HG LEU 35 HG LEU 35 -11.535 2.322 4.096 1010 1HD1 LEU 35 HD11 LEU 35 -12.160 -0.645 4.078 1011 2HD1 LEU 35 HD12 LEU 35 -12.603 0.523 5.323 1012 3HD1 LEU 35 HD13 LEU 35 -10.913 0.099 5.074 1013 1HD2 LEU 35 HD21 LEU 35 -10.778 0.272 2.003 1014 2HD2 LEU 35 HD22 LEU 35 -9.670 0.840 3.254 1015 3HD2 LEU 35 HD23 LEU 35 -10.304 1.971 2.058 1016 H ILE 36 HN ILE 36 -14.244 4.294 1.882 1017 HA ILE 36 HA ILE 36 -12.370 6.110 3.103 1018 HB ILE 36 HB ILE 36 -14.570 6.448 1.060 1019 1HG1 ILE 36 HG12 ILE 36 -11.575 6.708 0.726 1020 2HG1 ILE 36 HG11 ILE 36 -12.382 5.149 0.600 1021 1HG2 ILE 36 HG21 ILE 36 -14.440 8.620 1.951 1022 2HG2 ILE 36 HG22 ILE 36 -13.265 8.666 0.638 1023 3HG2 ILE 36 HG23 ILE 36 -12.719 8.478 2.303 1024 1HD1 ILE 36 HD11 ILE 36 -13.651 5.833 -1.286 1025 2HD1 ILE 36 HD12 ILE 36 -12.037 6.475 -1.586 1026 3HD1 ILE 36 HD13 ILE 36 -13.312 7.538 -0.995 1027 H ASN 37 HN ASN 37 -15.882 5.735 3.238 1028 HA ASN 37 HA ASN 37 -16.246 8.040 5.000 1029 1HB ASN 37 HB2 ASN 37 -18.178 5.823 4.271 1030 2HB ASN 37 HB1 ASN 37 -18.598 7.349 5.051 1031 1HD2 ASN 37 HD21 ASN 37 -19.977 7.886 3.164 1032 2HD2 ASN 37 HD22 ASN 37 -19.271 8.418 1.715 1033 H ASN 38 HN ASN 38 -15.660 4.629 5.462 1034 HA ASN 38 HA ASN 38 -16.608 4.756 8.281 1035 1HB ASN 38 HB2 ASN 38 -15.687 2.516 6.485 1036 2HB ASN 38 HB1 ASN 38 -15.939 2.274 8.215 1037 1HD2 ASN 38 HD21 ASN 38 -17.823 0.917 7.942 1038 2HD2 ASN 38 HD22 ASN 38 -19.293 1.524 7.352 1039 H GLU 39 HN GLU 39 -13.522 4.068 6.567 1040 HA GLU 39 HA GLU 39 -12.131 4.237 9.224 1041 1HB GLU 39 HB2 GLU 39 -11.417 2.980 6.575 1042 2HB GLU 39 HB1 GLU 39 -10.169 3.331 7.770 1043 1HG GLU 39 HG2 GLU 39 -10.971 1.032 8.048 1044 2HG GLU 39 HG1 GLU 39 -11.426 2.003 9.449 1045 H LEU 40 HN LEU 40 -11.353 5.141 5.861 1046 HA LEU 40 HA LEU 40 -9.601 7.274 6.772 1047 1HB LEU 40 HB2 LEU 40 -10.552 7.381 3.951 1048 2HB LEU 40 HB1 LEU 40 -8.910 7.412 4.581 1049 HG LEU 40 HG LEU 40 -10.651 4.933 4.309 1050 1HD1 LEU 40 HD11 LEU 40 -9.814 5.931 2.179 1051 2HD1 LEU 40 HD12 LEU 40 -9.163 4.324 2.507 1052 3HD1 LEU 40 HD13 LEU 40 -8.170 5.753 2.790 1053 1HD2 LEU 40 HD21 LEU 40 -7.688 5.028 4.934 1054 2HD2 LEU 40 HD22 LEU 40 -8.791 3.658 5.088 1055 3HD2 LEU 40 HD23 LEU 40 -8.889 5.001 6.222 1056 H SER 41 HN SER 41 -12.349 7.443 7.763 1057 HA SER 41 HA SER 41 -13.562 9.674 6.264 1058 1HB SER 41 HB2 SER 41 -14.659 7.649 7.646 1059 2HB SER 41 HB1 SER 41 -14.607 8.840 8.937 1060 HG SER 41 HG SER 41 -15.436 10.130 6.828 1061 H HIS 42 HN HIS 42 -11.415 9.256 8.969 1062 HA HIS 42 HA HIS 42 -12.031 11.952 10.044 1063 1HB HIS 42 HB2 HIS 42 -9.777 10.165 10.969 1064 2HB HIS 42 HB1 HIS 42 -10.664 11.387 11.882 1065 HD1 HIS 42 HD1 HIS 42 -12.912 10.705 12.924 1066 HD2 HIS 42 HD2 HIS 42 -11.177 7.675 10.642 1067 HE1 HIS 42 HE1 HIS 42 -14.225 8.593 13.417 1068 HE2 HIS 42 HE2 HIS 42 -13.175 6.743 12.035 1069 H PHE 43 HN PHE 43 -9.709 10.313 8.019 1070 HA PHE 43 HA PHE 43 -7.945 12.727 7.984 1071 1HB PHE 43 HB2 PHE 43 -7.547 9.877 7.044 1072 2HB PHE 43 HB1 PHE 43 -6.408 11.178 6.693 1073 HD1 PHE 43 HD1 PHE 43 -7.601 8.837 9.190 1074 HD2 PHE 43 HD2 PHE 43 -5.352 12.450 8.607 1075 HE1 PHE 43 HE1 PHE 43 -6.594 8.572 11.440 1076 HE2 PHE 43 HE2 PHE 43 -4.342 12.183 10.858 1077 HZ PHE 43 HZ PHE 43 -4.964 10.245 12.274 1078 H LEU 44 HN LEU 44 -9.531 10.443 5.704 1079 HA LEU 44 HA LEU 44 -9.153 12.418 3.545 1080 1HB LEU 44 HB2 LEU 44 -8.936 9.848 3.271 1081 2HB LEU 44 HB1 LEU 44 -10.694 9.829 3.311 1082 HG LEU 44 HG LEU 44 -10.755 11.401 1.397 1083 1HD1 LEU 44 HD11 LEU 44 -7.794 11.352 1.829 1084 2HD1 LEU 44 HD12 LEU 44 -8.829 12.666 1.278 1085 3HD1 LEU 44 HD13 LEU 44 -8.354 11.396 0.157 1086 1HD2 LEU 44 HD21 LEU 44 -10.734 8.886 1.135 1087 2HD2 LEU 44 HD22 LEU 44 -9.005 8.998 0.825 1088 3HD2 LEU 44 HD23 LEU 44 -10.145 9.764 -0.277 1089 H GLU 45 HN GLU 45 -10.791 13.712 2.753 1090 HA GLU 45 HA GLU 45 -12.959 14.439 4.348 1091 1HB GLU 45 HB2 GLU 45 -12.100 15.636 2.269 1092 2HB GLU 45 HB1 GLU 45 -13.069 14.503 1.326 1093 1HG GLU 45 HG2 GLU 45 -15.040 15.218 2.836 1094 2HG GLU 45 HG1 GLU 45 -14.016 16.571 3.315 1095 H GLU 46 HN GLU 46 -14.963 13.638 4.720 1096 HA GLU 46 HA GLU 46 -15.634 10.954 4.173 1097 1HB GLU 46 HB2 GLU 46 -18.024 11.753 4.719 1098 2HB GLU 46 HB1 GLU 46 -16.795 12.005 5.956 1099 1HG GLU 46 HG2 GLU 46 -17.316 14.173 3.922 1100 2HG GLU 46 HG1 GLU 46 -18.403 13.990 5.296 1101 H ILE 47 HN ILE 47 -15.175 10.764 1.840 1102 HA ILE 47 HA ILE 47 -16.509 12.221 -0.186 1103 HB ILE 47 HB ILE 47 -15.299 9.474 -0.028 1104 1HG1 ILE 47 HG12 ILE 47 -14.768 11.874 -1.811 1105 2HG1 ILE 47 HG11 ILE 47 -13.909 11.528 -0.316 1106 1HG2 ILE 47 HG21 ILE 47 -17.120 10.472 -2.199 1107 2HG2 ILE 47 HG22 ILE 47 -17.011 8.862 -1.485 1108 3HG2 ILE 47 HG23 ILE 47 -15.774 9.408 -2.609 1109 1HD1 ILE 47 HD11 ILE 47 -12.996 10.741 -2.729 1110 2HD1 ILE 47 HD12 ILE 47 -13.969 9.326 -2.337 1111 3HD1 ILE 47 HD13 ILE 47 -12.673 9.835 -1.257 1112 H LYS 48 HN LYS 48 -18.597 12.339 -0.721 1113 HA LYS 48 HA LYS 48 -20.483 10.196 0.217 1114 1HB LYS 48 HB2 LYS 48 -22.209 11.927 0.241 1115 2HB LYS 48 HB1 LYS 48 -20.839 12.471 1.210 1116 1HG LYS 48 HG2 LYS 48 -19.988 13.620 -0.919 1117 2HG LYS 48 HG1 LYS 48 -21.593 13.326 -1.588 1118 1HD LYS 48 HD2 LYS 48 -22.564 14.504 0.413 1119 2HD LYS 48 HD1 LYS 48 -20.920 14.928 0.894 1120 1HE LYS 48 HE2 LYS 48 -22.160 15.637 -1.780 1121 2HE LYS 48 HE1 LYS 48 -22.032 16.744 -0.412 1122 1HZ LYS 48 HZ1 LYS 48 -20.082 17.260 -1.364 1123 2HZ LYS 48 HZ2 LYS 48 -19.985 15.805 -2.235 1124 3HZ LYS 48 HZ3 LYS 48 -19.524 15.852 -0.601 1125 H GLU 49 HN GLU 49 -19.120 11.861 -2.464 1126 HA GLU 49 HA GLU 49 -21.245 10.897 -4.328 1127 1HB GLU 49 HB2 GLU 49 -18.823 12.594 -4.991 1128 2HB GLU 49 HB1 GLU 49 -20.284 12.378 -5.955 1129 1HG GLU 49 HG2 GLU 49 -21.556 13.381 -3.960 1130 2HG GLU 49 HG1 GLU 49 -19.977 13.876 -3.348 1131 H GLN 50 HN GLN 50 -20.628 9.567 -6.140 1132 HA GLN 50 HA GLN 50 -18.322 7.796 -5.540 1133 1HB GLN 50 HB2 GLN 50 -20.564 7.589 -7.573 1134 2HB GLN 50 HB1 GLN 50 -19.315 6.369 -7.329 1135 1HG GLN 50 HG2 GLN 50 -20.068 5.882 -5.132 1136 2HG GLN 50 HG1 GLN 50 -21.067 7.335 -5.065 1137 1HE2 GLN 50 HE21 GLN 50 -20.740 4.498 -7.290 1138 2HE2 GLN 50 HE22 GLN 50 -22.411 4.236 -7.430 1139 H GLU 51 HN GLU 51 -19.328 10.206 -7.866 1140 HA GLU 51 HA GLU 51 -17.819 9.625 -10.092 1141 1HB GLU 51 HB2 GLU 51 -17.781 11.982 -10.601 1142 2HB GLU 51 HB1 GLU 51 -19.308 11.631 -9.790 1143 1HG GLU 51 HG2 GLU 51 -18.152 12.295 -7.613 1144 2HG GLU 51 HG1 GLU 51 -16.839 12.919 -8.613 1145 H VAL 52 HN VAL 52 -16.566 10.877 -7.030 1146 HA VAL 52 HA VAL 52 -13.909 11.289 -8.148 1147 HB VAL 52 HB VAL 52 -13.202 11.585 -5.812 1148 1HG1 VAL 52 HG11 VAL 52 -15.883 12.833 -6.479 1149 2HG1 VAL 52 HG12 VAL 52 -14.289 13.500 -6.832 1150 3HG1 VAL 52 HG13 VAL 52 -14.845 13.378 -5.162 1151 1HG2 VAL 52 HG21 VAL 52 -15.081 11.353 -4.058 1152 2HG2 VAL 52 HG22 VAL 52 -14.365 9.860 -4.660 1153 3HG2 VAL 52 HG23 VAL 52 -15.931 10.395 -5.270 1154 H VAL 53 HN VAL 53 -15.594 8.743 -6.416 1155 HA VAL 53 HA VAL 53 -13.277 7.042 -6.198 1156 HB VAL 53 HB VAL 53 -15.972 6.969 -5.306 1157 1HG1 VAL 53 HG11 VAL 53 -15.376 4.518 -6.993 1158 2HG1 VAL 53 HG12 VAL 53 -16.601 5.733 -7.362 1159 3HG1 VAL 53 HG13 VAL 53 -16.761 4.727 -5.922 1160 1HG2 VAL 53 HG21 VAL 53 -15.240 5.024 -4.003 1161 2HG2 VAL 53 HG22 VAL 53 -13.990 6.268 -4.031 1162 3HG2 VAL 53 HG23 VAL 53 -13.837 4.842 -5.053 1163 H ASP 54 HN ASP 54 -15.431 7.959 -8.697 1164 HA ASP 54 HA ASP 54 -14.774 5.689 -10.447 1165 1HB ASP 54 HB2 ASP 54 -16.943 7.059 -10.547 1166 2HB ASP 54 HB1 ASP 54 -15.977 8.338 -11.284 1167 H LYS 55 HN LYS 55 -13.712 9.001 -9.858 1168 HA LYS 55 HA LYS 55 -11.854 8.916 -12.147 1169 1HB LYS 55 HB2 LYS 55 -11.713 11.193 -11.918 1170 2HB LYS 55 HB1 LYS 55 -13.158 10.984 -10.943 1171 1HG LYS 55 HG2 LYS 55 -11.873 12.276 -9.508 1172 2HG LYS 55 HG1 LYS 55 -11.395 10.680 -8.960 1173 1HD LYS 55 HD2 LYS 55 -9.496 10.889 -10.749 1174 2HD LYS 55 HD1 LYS 55 -9.889 12.604 -10.730 1175 1HE LYS 55 HE2 LYS 55 -9.650 12.448 -8.165 1176 2HE LYS 55 HE1 LYS 55 -8.855 10.902 -8.463 1177 1HZ LYS 55 HZ1 LYS 55 -7.179 11.936 -9.715 1178 2HZ LYS 55 HZ2 LYS 55 -7.367 12.908 -8.335 1179 3HZ LYS 55 HZ3 LYS 55 -8.029 13.399 -9.820 1180 H VAL 56 HN VAL 56 -11.743 8.509 -8.637 1181 HA VAL 56 HA VAL 56 -8.882 8.529 -8.412 1182 HB VAL 56 HB VAL 56 -10.781 8.455 -6.534 1183 1HG1 VAL 56 HG11 VAL 56 -11.144 6.316 -5.541 1184 2HG1 VAL 56 HG12 VAL 56 -9.943 5.549 -6.579 1185 3HG1 VAL 56 HG13 VAL 56 -11.467 6.108 -7.259 1186 1HG2 VAL 56 HG21 VAL 56 -8.119 7.040 -6.195 1187 2HG2 VAL 56 HG22 VAL 56 -9.082 7.763 -4.908 1188 3HG2 VAL 56 HG23 VAL 56 -8.355 8.787 -6.144 1189 H MET 57 HN MET 57 -11.244 5.976 -9.083 1190 HA MET 57 HA MET 57 -9.387 3.811 -9.288 1191 1HB MET 57 HB2 MET 57 -12.046 4.358 -10.627 1192 2HB MET 57 HB1 MET 57 -11.139 2.873 -10.917 1193 1HG MET 57 HG2 MET 57 -11.219 2.281 -8.583 1194 2HG MET 57 HG1 MET 57 -11.904 3.849 -8.156 1195 1HE MET 57 HE1 MET 57 -12.596 0.307 -8.620 1196 2HE MET 57 HE2 MET 57 -14.316 0.387 -8.230 1197 3HE MET 57 HE3 MET 57 -13.149 1.196 -7.189 1198 H GLU 58 HN GLU 58 -10.352 6.344 -11.546 1199 HA GLU 58 HA GLU 58 -9.088 5.279 -13.875 1200 1HB GLU 58 HB2 GLU 58 -10.682 7.324 -13.634 1201 2HB GLU 58 HB1 GLU 58 -9.221 8.234 -13.256 1202 1HG GLU 58 HG2 GLU 58 -8.234 7.656 -15.392 1203 2HG GLU 58 HG1 GLU 58 -9.564 6.556 -15.760 1204 H THR 59 HN THR 59 -7.887 6.998 -11.085 1205 HA THR 59 HA THR 59 -5.217 7.369 -12.275 1206 HB THR 59 HB THR 59 -6.164 7.898 -9.447 1207 HG1 THR 59 HG1 THR 59 -7.041 9.620 -10.223 1208 1HG2 THR 59 HG21 THR 59 -4.212 9.568 -9.633 1209 2HG2 THR 59 HG22 THR 59 -3.700 8.621 -11.028 1210 3HG2 THR 59 HG23 THR 59 -3.801 7.866 -9.438 1211 H LEU 60 HN LEU 60 -6.870 5.193 -10.059 1212 HA LEU 60 HA LEU 60 -4.272 3.861 -9.406 1213 1HB LEU 60 HB2 LEU 60 -7.012 3.847 -8.171 1214 2HB LEU 60 HB1 LEU 60 -5.933 2.488 -7.875 1215 HG LEU 60 HG LEU 60 -5.774 4.248 -6.139 1216 1HD1 LEU 60 HD11 LEU 60 -3.515 3.921 -5.837 1217 2HD1 LEU 60 HD12 LEU 60 -3.102 4.423 -7.474 1218 3HD1 LEU 60 HD13 LEU 60 -3.723 2.800 -7.180 1219 1HD2 LEU 60 HD21 LEU 60 -4.973 6.435 -6.619 1220 2HD2 LEU 60 HD22 LEU 60 -6.204 6.113 -7.840 1221 3HD2 LEU 60 HD23 LEU 60 -4.494 5.978 -8.254 1222 H ASP 61 HN ASP 61 -7.519 3.041 -10.835 1223 HA ASP 61 HA ASP 61 -7.031 0.307 -11.219 1224 1HB ASP 61 HB2 ASP 61 -9.150 1.741 -11.612 1225 2HB ASP 61 HB1 ASP 61 -8.480 2.035 -13.215 1226 H GLU 62 HN GLU 62 -5.170 -0.381 -12.011 1227 HA GLU 62 HA GLU 62 -3.929 0.933 -14.349 1228 1HB GLU 62 HB2 GLU 62 -2.525 0.199 -12.418 1229 2HB GLU 62 HB1 GLU 62 -3.014 -1.464 -12.732 1230 1HG GLU 62 HG2 GLU 62 -2.044 -1.283 -15.023 1231 2HG GLU 62 HG1 GLU 62 -1.480 0.341 -14.625 1232 H ASP 63 HN ASP 63 -5.260 -2.198 -13.390 1233 HA ASP 63 HA ASP 63 -5.026 -3.276 -16.094 1234 1HB ASP 63 HB2 ASP 63 -6.551 -5.088 -15.072 1235 2HB ASP 63 HB1 ASP 63 -4.953 -4.899 -14.349 1236 H GLY 64 HN GLY 64 -7.007 -0.972 -14.699 1237 1HA GLY 64 HA2 GLY 64 -9.054 -0.041 -15.413 1238 2HA GLY 64 HA1 GLY 64 -8.780 -0.875 -16.943 1239 H ASP 65 HN ASP 65 -9.166 -2.235 -13.677 1240 HA ASP 65 HA ASP 65 -11.258 -4.056 -14.780 1241 1HB ASP 65 HB2 ASP 65 -10.959 -5.262 -12.608 1242 2HB ASP 65 HB1 ASP 65 -9.468 -5.137 -13.541 1243 H GLY 66 HN GLY 66 -11.119 -1.110 -13.205 1244 1HA GLY 66 HA2 GLY 66 -12.829 0.155 -12.186 1245 2HA GLY 66 HA1 GLY 66 -13.960 -1.115 -12.662 1246 H GLU 67 HN GLU 67 -11.359 -2.426 -11.050 1247 HA GLU 67 HA GLU 67 -12.703 -2.292 -8.375 1248 1HB GLU 67 HB2 GLU 67 -11.557 -4.732 -9.778 1249 2HB GLU 67 HB1 GLU 67 -12.024 -4.694 -8.077 1250 1HG GLU 67 HG2 GLU 67 -14.325 -4.193 -8.656 1251 2HG GLU 67 HG1 GLU 67 -13.901 -4.026 -10.360 1252 H CYS 68 HN CYS 68 -11.024 -3.139 -6.677 1253 HA CYS 68 HA CYS 68 -8.284 -2.155 -7.430 1254 1HB CYS 68 HB2 CYS 68 -9.898 -1.599 -4.932 1255 2HB CYS 68 HB1 CYS 68 -8.174 -1.256 -5.078 1256 HG CYS 68 HG CYS 68 -9.490 0.897 -5.806 1257 H ASP 69 HN ASP 69 -7.481 -4.320 -7.648 1258 HA ASP 69 HA ASP 69 -7.839 -6.431 -5.823 1259 1HB ASP 69 HB2 ASP 69 -6.581 -6.442 -8.068 1260 2HB ASP 69 HB1 ASP 69 -5.191 -5.843 -7.162 1261 H PHE 70 HN PHE 70 -5.354 -7.107 -4.672 1262 HA PHE 70 HA PHE 70 -5.367 -5.312 -2.388 1263 1HB PHE 70 HB2 PHE 70 -3.353 -6.937 -1.773 1264 2HB PHE 70 HB1 PHE 70 -5.019 -7.503 -1.707 1265 HD1 PHE 70 HD1 PHE 70 -5.686 -9.359 -2.982 1266 HD2 PHE 70 HD2 PHE 70 -2.078 -7.283 -4.021 1267 HE1 PHE 70 HE1 PHE 70 -5.176 -11.096 -4.678 1268 HE2 PHE 70 HE2 PHE 70 -1.568 -9.013 -5.719 1269 HZ PHE 70 HZ PHE 70 -3.115 -10.923 -6.046 1270 H GLN 71 HN GLN 71 -3.244 -5.772 -5.169 1271 HA GLN 71 HA GLN 71 -1.069 -4.256 -4.018 1272 1HB GLN 71 HB2 GLN 71 -0.168 -4.230 -6.376 1273 2HB GLN 71 HB1 GLN 71 -0.457 -5.830 -5.705 1274 1HG GLN 71 HG2 GLN 71 -1.348 -5.914 -7.900 1275 2HG GLN 71 HG1 GLN 71 -2.755 -5.719 -6.861 1276 1HE2 GLN 71 HE21 GLN 71 -3.731 -4.801 -8.950 1277 2HE2 GLN 71 HE22 GLN 71 -3.474 -3.158 -9.286 1278 H GLU 72 HN GLU 72 -3.838 -3.439 -6.023 1279 HA GLU 72 HA GLU 72 -2.843 -0.686 -6.391 1280 1HB GLU 72 HB2 GLU 72 -4.044 -1.754 -8.216 1281 2HB GLU 72 HB1 GLU 72 -5.417 -2.090 -7.164 1282 1HG GLU 72 HG2 GLU 72 -5.675 0.412 -6.845 1283 2HG GLU 72 HG1 GLU 72 -4.437 0.629 -8.084 1284 H PHE 73 HN PHE 73 -5.276 -2.474 -4.552 1285 HA PHE 73 HA PHE 73 -6.625 -0.280 -3.380 1286 1HB PHE 73 HB2 PHE 73 -7.540 -2.473 -3.089 1287 2HB PHE 73 HB1 PHE 73 -6.038 -3.072 -2.392 1288 HD1 PHE 73 HD1 PHE 73 -8.089 0.005 -1.664 1289 HD2 PHE 73 HD2 PHE 73 -6.435 -3.674 -0.176 1290 HE1 PHE 73 HE1 PHE 73 -8.943 0.530 0.594 1291 HE2 PHE 73 HE2 PHE 73 -7.292 -3.139 2.081 1292 HZ PHE 73 HZ PHE 73 -8.565 -1.056 2.459 1293 H MET 74 HN MET 74 -3.610 -1.903 -2.470 1294 HA MET 74 HA MET 74 -3.297 -0.278 -0.064 1295 1HB MET 74 HB2 MET 74 -1.906 -2.522 -1.342 1296 2HB MET 74 HB1 MET 74 -0.762 -1.316 -0.764 1297 1HG MET 74 HG2 MET 74 -2.993 -2.316 1.005 1298 2HG MET 74 HG1 MET 74 -1.467 -3.189 0.873 1299 1HE MET 74 HE1 MET 74 0.857 -2.310 1.760 1300 2HE MET 74 HE2 MET 74 -0.271 -3.052 2.891 1301 3HE MET 74 HE3 MET 74 0.647 -1.631 3.382 1302 H ALA 75 HN ALA 75 -2.803 0.112 -3.377 1303 HA ALA 75 HA ALA 75 -0.724 2.222 -3.103 1304 1HB ALA 75 HB1 ALA 75 -2.484 1.729 -5.516 1305 2HB ALA 75 HB2 ALA 75 -1.053 0.752 -5.197 1306 3HB ALA 75 HB3 ALA 75 -0.892 2.486 -5.475 1307 H PHE 76 HN PHE 76 -4.094 1.847 -2.887 1308 HA PHE 76 HA PHE 76 -4.779 4.616 -3.476 1309 1HB PHE 76 HB2 PHE 76 -6.551 3.021 -3.737 1310 2HB PHE 76 HB1 PHE 76 -6.308 2.391 -2.113 1311 HD1 PHE 76 HD1 PHE 76 -6.741 5.826 -3.600 1312 HD2 PHE 76 HD2 PHE 76 -8.030 2.980 -0.646 1313 HE1 PHE 76 HE1 PHE 76 -8.353 7.478 -2.707 1314 HE2 PHE 76 HE2 PHE 76 -9.645 4.636 0.237 1315 HZ PHE 76 HZ PHE 76 -9.807 6.885 -0.793 1316 H VAL 77 HN VAL 77 -4.591 2.767 -0.399 1317 HA VAL 77 HA VAL 77 -4.985 4.945 1.356 1318 HB VAL 77 HB VAL 77 -3.162 2.535 1.651 1319 1HG1 VAL 77 HG11 VAL 77 -2.413 4.188 3.229 1320 2HG1 VAL 77 HG12 VAL 77 -3.425 3.054 4.122 1321 3HG1 VAL 77 HG13 VAL 77 -4.072 4.623 3.644 1322 1HG2 VAL 77 HG21 VAL 77 -5.932 3.109 2.748 1323 2HG2 VAL 77 HG22 VAL 77 -5.010 1.621 2.964 1324 3HG2 VAL 77 HG23 VAL 77 -5.597 2.071 1.361 1325 H SER 78 HN SER 78 -2.164 3.957 -0.460 1326 HA SER 78 HA SER 78 -0.277 5.696 0.800 1327 1HB SER 78 HB2 SER 78 0.111 5.125 -2.071 1328 2HB SER 78 HB1 SER 78 1.192 4.808 -0.720 1329 HG SER 78 HG SER 78 -0.912 3.280 -0.389 1330 H MET 79 HN MET 79 -2.569 6.041 -1.841 1331 HA MET 79 HA MET 79 -1.593 8.624 -2.682 1332 1HB MET 79 HB2 MET 79 -2.894 7.170 -4.197 1333 2HB MET 79 HB1 MET 79 -4.300 7.347 -3.147 1334 1HG MET 79 HG2 MET 79 -4.725 9.507 -3.852 1335 2HG MET 79 HG1 MET 79 -3.017 9.889 -4.064 1336 1HE MET 79 HE1 MET 79 -6.175 8.261 -5.429 1337 2HE MET 79 HE2 MET 79 -6.027 8.625 -7.146 1338 3HE MET 79 HE3 MET 79 -6.049 9.940 -5.974 1339 H VAL 80 HN VAL 80 -3.880 7.529 -0.265 1340 HA VAL 80 HA VAL 80 -4.802 10.303 0.204 1341 HB VAL 80 HB VAL 80 -6.534 9.426 1.470 1342 1HG1 VAL 80 HG11 VAL 80 -7.361 7.395 0.524 1343 2HG1 VAL 80 HG12 VAL 80 -5.743 6.851 0.124 1344 3HG1 VAL 80 HG13 VAL 80 -6.450 8.205 -0.751 1345 1HG2 VAL 80 HG21 VAL 80 -5.316 8.570 3.336 1346 2HG2 VAL 80 HG22 VAL 80 -4.582 7.298 2.369 1347 3HG2 VAL 80 HG23 VAL 80 -6.297 7.224 2.759 1348 H THR 81 HN THR 81 -2.643 7.847 1.451 1349 HA THR 81 HA THR 81 -2.038 9.309 3.896 1350 HB THR 81 HB THR 81 -0.389 7.206 2.475 1351 HG1 THR 81 HG1 THR 81 -2.047 6.019 2.967 1352 1HG2 THR 81 HG21 THR 81 0.326 6.780 4.900 1353 2HG2 THR 81 HG22 THR 81 -0.374 8.360 5.254 1354 3HG2 THR 81 HG23 THR 81 0.967 8.223 4.116 1355 H THR 82 HN THR 82 -0.699 9.109 0.574 1356 HA THR 82 HA THR 82 1.673 10.604 1.146 1357 HB THR 82 HB THR 82 1.549 11.070 -1.362 1358 HG1 THR 82 HG1 THR 82 -0.068 9.968 -2.444 1359 1HG2 THR 82 HG21 THR 82 1.702 8.429 0.026 1360 2HG2 THR 82 HG22 THR 82 2.875 9.225 -1.016 1361 3HG2 THR 82 HG23 THR 82 1.499 8.377 -1.726 1362 H ALA 83 HN ALA 83 -1.638 11.629 0.236 1363 HA ALA 83 HA ALA 83 -0.932 14.383 -0.174 1364 1HB ALA 83 HB1 ALA 83 -3.576 13.148 0.660 1365 2HB ALA 83 HB2 ALA 83 -3.050 13.416 -1.002 1366 3HB ALA 83 HB3 ALA 83 -3.360 14.791 0.058 1367 H CYS 84 HN CYS 84 -1.812 12.443 2.631 1368 HA CYS 84 HA CYS 84 -2.182 14.645 4.457 1369 1HB CYS 84 HB2 CYS 84 -2.994 12.403 5.010 1370 2HB CYS 84 HB1 CYS 84 -1.350 11.767 4.955 1371 HG CYS 84 HG CYS 84 -1.186 13.891 6.945 1372 H HIS 85 HN HIS 85 0.633 12.605 3.656 1373 HA HIS 85 HA HIS 85 2.381 14.040 5.469 1374 1HB HIS 85 HB2 HIS 85 3.897 12.406 4.925 1375 2HB HIS 85 HB1 HIS 85 2.552 11.645 4.084 1376 HD1 HIS 85 HD1 HIS 85 2.345 12.285 1.450 1377 HD2 HIS 85 HD2 HIS 85 5.986 13.181 3.271 1378 HE1 HIS 85 HE1 HIS 85 4.007 12.666 -0.421 1379 H GLU 86 HN GLU 86 1.302 14.465 2.178 1380 HA GLU 86 HA GLU 86 3.360 16.304 1.343 1381 1HB GLU 86 HB2 GLU 86 1.782 15.100 -0.205 1382 2HB GLU 86 HB1 GLU 86 0.491 16.149 0.379 1383 1HG GLU 86 HG2 GLU 86 1.359 17.096 -1.673 1384 2HG GLU 86 HG1 GLU 86 1.862 18.129 -0.336 1385 H PHE 87 HN PHE 87 0.053 16.785 2.580 1386 HA PHE 87 HA PHE 87 0.078 19.613 2.643 1387 1HB PHE 87 HB2 PHE 87 -1.974 18.376 3.085 1388 2HB PHE 87 HB1 PHE 87 -1.267 17.648 4.528 1389 HD1 PHE 87 HD1 PHE 87 -1.154 18.838 6.603 1390 HD2 PHE 87 HD2 PHE 87 -2.424 20.843 3.023 1391 HE1 PHE 87 HE1 PHE 87 -1.891 20.783 7.954 1392 HE2 PHE 87 HE2 PHE 87 -3.161 22.787 4.374 1393 HZ PHE 87 HZ PHE 87 -2.894 22.758 6.839 1394 H PHE 88 HN PHE 88 1.121 17.267 5.122 1395 HA PHE 88 HA PHE 88 2.029 19.344 6.945 1396 1HB PHE 88 HB2 PHE 88 1.379 17.126 7.778 1397 2HB PHE 88 HB1 PHE 88 2.678 16.382 6.844 1398 HD1 PHE 88 HD1 PHE 88 1.889 18.580 9.708 1399 HD2 PHE 88 HD2 PHE 88 4.991 16.560 7.531 1400 HE1 PHE 88 HE1 PHE 88 3.480 19.033 11.555 1401 HE2 PHE 88 HE2 PHE 88 6.583 17.012 9.378 1402 HZ PHE 88 HZ PHE 88 5.827 18.248 11.391 1403 H GLU 89 HN GLU 89 3.517 17.415 4.394 1404 HA GLU 89 HA GLU 89 6.223 18.374 5.055 1405 1HB GLU 89 HB2 GLU 89 5.809 16.087 4.135 1406 2HB GLU 89 HB1 GLU 89 5.240 16.823 2.637 1407 1HG GLU 89 HG2 GLU 89 7.390 17.713 2.137 1408 2HG GLU 89 HG1 GLU 89 7.977 17.418 3.775 1409 H HIS 90 HN HIS 90 3.582 19.755 3.614 1410 HA HIS 90 HA HIS 90 4.743 20.984 1.284 1411 1HB HIS 90 HB2 HIS 90 2.287 20.868 1.722 1412 2HB HIS 90 HB1 HIS 90 2.497 22.026 3.037 1413 HD1 HIS 90 HD1 HIS 90 1.737 24.259 2.228 1414 HD2 HIS 90 HD2 HIS 90 3.856 22.202 -0.719 1415 HE1 HIS 90 HE1 HIS 90 1.917 25.828 0.245 1416 HE2 HIS 90 HE2 HIS 90 3.205 24.585 -1.554 1417 H GLU 91 HN GLU 91 6.692 22.029 1.656 1418 HA GLU 91 HA GLU 91 6.988 23.821 3.985 1419 1HB GLU 91 HB2 GLU 91 8.886 22.408 3.258 1420 2HB GLU 91 HB1 GLU 91 8.891 23.228 1.695 1421 1HG GLU 91 HG2 GLU 91 9.450 25.338 2.723 1422 2HG GLU 91 HG1 GLU 91 9.222 24.668 4.340 Start of MODEL 17 1 1H MET 0 HT1 MET 0 -11.947 0.652 15.563 2 2H MET 0 HT2 MET 0 -12.634 1.608 16.788 3 3H MET 0 HT3 MET 0 -11.501 0.403 17.180 4 HA MET 0 HA MET 0 -10.991 3.069 16.698 5 1HB MET 0 HB2 MET 0 -9.134 0.670 16.748 6 2HB MET 0 HB1 MET 0 -8.643 2.346 16.995 7 1HG MET 0 HG2 MET 0 -10.229 2.464 18.935 8 2HG MET 0 HG1 MET 0 -10.542 0.742 18.730 9 1HE MET 0 HE1 MET 0 -8.861 3.124 20.786 10 2HE MET 0 HE2 MET 0 -7.846 3.479 19.391 11 3HE MET 0 HE3 MET 0 -7.128 2.772 20.835 12 H SER 1 HN SER 1 -9.167 3.837 15.180 13 HA SER 1 HA SER 1 -9.911 3.047 12.430 14 1HB SER 1 HB2 SER 1 -8.243 4.972 11.899 15 2HB SER 1 HB1 SER 1 -9.791 5.379 12.633 16 HG SER 1 HG SER 1 -7.221 5.466 13.679 17 H GLU 2 HN GLU 2 -8.939 0.938 12.593 18 HA GLU 2 HA GLU 2 -6.256 0.295 13.150 19 1HB GLU 2 HB2 GLU 2 -8.128 -0.816 11.046 20 2HB GLU 2 HB1 GLU 2 -6.544 -1.515 11.378 21 1HG GLU 2 HG2 GLU 2 -7.264 -1.698 13.813 22 2HG GLU 2 HG1 GLU 2 -8.889 -1.274 13.276 23 H LEU 3 HN LEU 3 -7.640 1.820 10.296 24 HA LEU 3 HA LEU 3 -5.276 1.624 8.686 25 1HB LEU 3 HB2 LEU 3 -7.969 2.513 8.394 26 2HB LEU 3 HB1 LEU 3 -6.969 3.885 7.952 27 HG LEU 3 HG LEU 3 -7.548 2.438 6.031 28 1HD1 LEU 3 HD11 LEU 3 -4.689 2.855 6.859 29 2HD1 LEU 3 HD12 LEU 3 -5.624 3.682 5.620 30 3HD1 LEU 3 HD13 LEU 3 -5.056 2.039 5.343 31 1HD2 LEU 3 HD21 LEU 3 -7.157 0.299 7.685 32 2HD2 LEU 3 HD22 LEU 3 -5.629 0.300 6.813 33 3HD2 LEU 3 HD23 LEU 3 -7.147 0.190 5.929 34 H GLU 4 HN GLU 4 -6.154 3.833 11.236 35 HA GLU 4 HA GLU 4 -4.508 6.025 10.324 36 1HB GLU 4 HB2 GLU 4 -6.319 6.293 12.022 37 2HB GLU 4 HB1 GLU 4 -5.364 5.340 13.156 38 1HG GLU 4 HG2 GLU 4 -5.023 7.724 13.592 39 2HG GLU 4 HG1 GLU 4 -3.530 7.019 12.978 40 H LYS 5 HN LYS 5 -3.985 3.157 12.259 41 HA LYS 5 HA LYS 5 -1.350 3.882 13.186 42 1HB LYS 5 HB2 LYS 5 -2.950 1.337 12.998 43 2HB LYS 5 HB1 LYS 5 -1.244 1.256 13.433 44 1HG LYS 5 HG2 LYS 5 -1.587 2.186 15.505 45 2HG LYS 5 HG1 LYS 5 -2.803 3.315 14.919 46 1HD LYS 5 HD2 LYS 5 -3.467 0.378 15.069 47 2HD LYS 5 HD1 LYS 5 -3.511 1.356 16.535 48 1HE LYS 5 HE2 LYS 5 -5.131 2.871 15.553 49 2HE LYS 5 HE1 LYS 5 -4.993 2.074 13.987 50 1HZ LYS 5 HZ1 LYS 5 -6.431 1.252 16.366 51 2HZ LYS 5 HZ2 LYS 5 -5.596 0.009 15.564 52 3HZ LYS 5 HZ3 LYS 5 -6.758 0.930 14.735 53 H ALA 6 HN ALA 6 -2.520 1.884 10.463 54 HA ALA 6 HA ALA 6 -0.029 1.059 9.494 55 1HB ALA 6 HB1 ALA 6 -2.535 1.746 7.946 56 2HB ALA 6 HB2 ALA 6 -2.083 0.159 8.570 57 3HB ALA 6 HB3 ALA 6 -1.151 0.892 7.266 58 H MET 7 HN MET 7 -1.832 3.946 8.375 59 HA MET 7 HA MET 7 0.251 4.884 6.692 60 1HB MET 7 HB2 MET 7 -0.989 7.231 7.723 61 2HB MET 7 HB1 MET 7 -1.397 6.388 6.238 62 1HG MET 7 HG2 MET 7 -3.059 5.085 7.305 63 2HG MET 7 HG1 MET 7 -2.518 5.574 8.913 64 1HE MET 7 HE1 MET 7 -4.923 7.873 5.812 65 2HE MET 7 HE2 MET 7 -5.269 6.222 6.321 66 3HE MET 7 HE3 MET 7 -3.730 6.592 5.547 67 H VAL 8 HN VAL 8 -0.292 5.325 10.169 68 HA VAL 8 HA VAL 8 1.836 7.256 10.494 69 HB VAL 8 HB VAL 8 0.437 5.385 12.419 70 1HG1 VAL 8 HG11 VAL 8 2.666 7.368 12.932 71 2HG1 VAL 8 HG12 VAL 8 2.604 5.667 13.397 72 3HG1 VAL 8 HG13 VAL 8 1.557 6.839 14.197 73 1HG2 VAL 8 HG21 VAL 8 0.437 8.407 12.188 74 2HG2 VAL 8 HG22 VAL 8 -0.628 7.417 13.186 75 3HG2 VAL 8 HG23 VAL 8 -0.769 7.367 11.429 76 H ALA 9 HN ALA 9 1.727 3.764 11.198 77 HA ALA 9 HA ALA 9 4.487 3.498 11.839 78 1HB ALA 9 HB1 ALA 9 4.131 1.074 11.156 79 2HB ALA 9 HB2 ALA 9 2.496 1.533 10.682 80 3HB ALA 9 HB3 ALA 9 3.003 1.687 12.364 81 H LEU 10 HN LEU 10 2.827 3.627 8.739 82 HA LEU 10 HA LEU 10 5.167 2.750 7.222 83 1HB LEU 10 HB2 LEU 10 2.401 3.716 6.606 84 2HB LEU 10 HB1 LEU 10 3.598 3.847 5.322 85 HG LEU 10 HG LEU 10 3.492 1.215 6.768 86 1HD1 LEU 10 HD11 LEU 10 1.284 2.240 4.994 87 2HD1 LEU 10 HD12 LEU 10 1.147 1.450 6.560 88 3HD1 LEU 10 HD13 LEU 10 1.624 0.517 5.140 89 1HD2 LEU 10 HD21 LEU 10 3.969 0.365 4.530 90 2HD2 LEU 10 HD22 LEU 10 5.040 1.728 4.859 91 3HD2 LEU 10 HD23 LEU 10 3.630 1.946 3.823 92 H ILE 11 HN ILE 11 3.528 5.908 7.674 93 HA ILE 11 HA ILE 11 5.093 7.554 6.097 94 HB ILE 11 HB ILE 11 3.931 8.003 8.854 95 1HG1 ILE 11 HG12 ILE 11 2.603 7.723 6.551 96 2HG1 ILE 11 HG11 ILE 11 2.102 8.920 7.741 97 1HG2 ILE 11 HG21 ILE 11 5.725 9.567 8.813 98 2HG2 ILE 11 HG22 ILE 11 4.305 10.485 8.313 99 3HG2 ILE 11 HG23 ILE 11 5.469 9.936 7.106 100 1HD1 ILE 11 HD11 ILE 11 4.043 9.607 5.525 101 2HD1 ILE 11 HD12 ILE 11 3.081 10.703 6.516 102 3HD1 ILE 11 HD13 ILE 11 2.296 9.704 5.294 103 H ASP 12 HN ASP 12 5.937 6.155 9.247 104 HA ASP 12 HA ASP 12 8.419 7.605 9.518 105 1HB ASP 12 HB2 ASP 12 7.468 4.997 10.736 106 2HB ASP 12 HB1 ASP 12 8.973 5.800 11.185 107 H VAL 13 HN VAL 13 7.679 4.273 8.446 108 HA VAL 13 HA VAL 13 10.419 3.799 7.628 109 HB VAL 13 HB VAL 13 7.916 2.290 6.795 110 1HG1 VAL 13 HG11 VAL 13 9.452 0.450 6.378 111 2HG1 VAL 13 HG12 VAL 13 10.810 1.407 6.967 112 3HG1 VAL 13 HG13 VAL 13 9.999 1.858 5.469 113 1HG2 VAL 13 HG21 VAL 13 7.909 2.214 9.159 114 2HG2 VAL 13 HG22 VAL 13 9.670 2.171 9.256 115 3HG2 VAL 13 HG23 VAL 13 8.784 0.755 8.707 116 H PHE 14 HN PHE 14 7.599 5.192 6.117 117 HA PHE 14 HA PHE 14 8.578 4.864 3.394 118 1HB PHE 14 HB2 PHE 14 6.310 6.195 4.711 119 2HB PHE 14 HB1 PHE 14 6.907 7.121 3.341 120 HD1 PHE 14 HD1 PHE 14 5.374 6.754 1.593 121 HD2 PHE 14 HD2 PHE 14 6.788 3.420 3.908 122 HE1 PHE 14 HE1 PHE 14 4.228 5.191 0.047 123 HE2 PHE 14 HE2 PHE 14 5.637 1.858 2.362 124 HZ PHE 14 HZ PHE 14 4.363 2.748 0.431 125 H HIS 15 HN HIS 15 8.777 7.540 5.749 126 HA HIS 15 HA HIS 15 10.312 9.182 3.898 127 1HB HIS 15 HB2 HIS 15 8.813 9.716 6.145 128 2HB HIS 15 HB1 HIS 15 10.441 9.860 6.794 129 HD1 HIS 15 HD1 HIS 15 10.679 12.378 6.922 130 HD2 HIS 15 HD2 HIS 15 9.331 11.121 3.186 131 HE1 HIS 15 HE1 HIS 15 10.678 14.425 5.431 132 H GLN 16 HN GLN 16 11.139 7.151 6.718 133 HA GLN 16 HA GLN 16 13.868 7.908 6.888 134 1HB GLN 16 HB2 GLN 16 12.534 5.255 7.491 135 2HB GLN 16 HB1 GLN 16 14.197 5.642 7.930 136 1HG GLN 16 HG2 GLN 16 11.913 7.445 8.745 137 2HG GLN 16 HG1 GLN 16 12.359 6.042 9.717 138 1HE2 GLN 16 HE21 GLN 16 14.061 6.345 11.178 139 2HE2 GLN 16 HE22 GLN 16 15.124 7.667 11.158 140 H TYR 17 HN TYR 17 12.319 5.412 4.868 141 HA TYR 17 HA TYR 17 14.919 4.722 3.647 142 1HB TYR 17 HB2 TYR 17 12.091 3.720 3.313 143 2HB TYR 17 HB1 TYR 17 13.352 3.270 2.166 144 HD1 TYR 17 HD1 TYR 17 12.296 3.082 5.719 145 HD2 TYR 17 HD2 TYR 17 15.116 1.741 2.767 146 HE1 TYR 17 HE1 TYR 17 13.122 1.351 7.292 147 HE2 TYR 17 HE2 TYR 17 15.938 0.008 4.342 148 HH TYR 17 HH TYR 17 14.479 -1.166 6.710 149 H SER 18 HN SER 18 11.781 5.967 2.395 150 HA SER 18 HA SER 18 12.808 6.644 -0.171 151 1HB SER 18 HB2 SER 18 10.674 8.279 1.201 152 2HB SER 18 HB1 SER 18 10.817 7.866 -0.505 153 HG SER 18 HG SER 18 9.320 6.486 0.282 154 H GLY 19 HN GLY 19 13.073 8.212 2.928 155 1HA GLY 19 HA2 GLY 19 14.194 10.686 1.723 156 2HA GLY 19 HA1 GLY 19 13.846 10.435 3.434 157 H ARG 20 HN ARG 20 15.356 7.658 2.437 158 HA ARG 20 HA ARG 20 17.775 8.191 3.873 159 1HB ARG 20 HB2 ARG 20 16.909 5.909 3.500 160 2HB ARG 20 HB1 ARG 20 17.176 6.084 1.768 161 1HG ARG 20 HG2 ARG 20 19.621 6.390 2.214 162 2HG ARG 20 HG1 ARG 20 19.311 6.110 3.928 163 1HD ARG 20 HD2 ARG 20 18.181 3.899 3.113 164 2HD ARG 20 HD1 ARG 20 19.092 4.181 1.627 165 HE ARG 20 HE ARG 20 21.080 3.653 2.802 166 1HH1 ARG 20 HH21 ARG 20 18.404 4.196 4.910 167 2HH1 ARG 20 HH22 ARG 20 19.241 3.661 6.329 168 1HH2 ARG 20 HH11 ARG 20 22.188 2.951 4.645 169 2HH2 ARG 20 HH12 ARG 20 21.382 2.956 6.179 170 H GLU 21 HN GLU 21 17.022 8.070 0.415 171 HA GLU 21 HA GLU 21 19.030 10.094 -0.152 172 1HB GLU 21 HB2 GLU 21 20.799 8.744 -0.640 173 2HB GLU 21 HB1 GLU 21 19.845 7.346 -0.174 174 1HG GLU 21 HG2 GLU 21 20.650 6.975 -2.410 175 2HG GLU 21 HG1 GLU 21 18.921 7.290 -2.532 176 H GLY 22 HN GLY 22 18.840 10.875 -2.353 177 1HA GLY 22 HA2 GLY 22 17.806 10.544 -4.614 178 2HA GLY 22 HA1 GLY 22 16.384 9.901 -3.794 179 H ASP 23 HN ASP 23 15.420 11.729 -5.174 180 HA ASP 23 HA ASP 23 15.823 14.456 -4.777 181 1HB ASP 23 HB2 ASP 23 14.140 13.473 -6.335 182 2HB ASP 23 HB1 ASP 23 13.121 13.090 -4.946 183 H LYS 24 HN LYS 24 13.224 12.721 -3.036 184 HA LYS 24 HA LYS 24 14.108 13.601 -0.437 185 1HB LYS 24 HB2 LYS 24 13.000 15.664 -1.811 186 2HB LYS 24 HB1 LYS 24 11.534 14.970 -1.131 187 1HG LYS 24 HG2 LYS 24 13.985 15.756 0.481 188 2HG LYS 24 HG1 LYS 24 12.528 16.734 0.324 189 1HD LYS 24 HD2 LYS 24 11.284 14.608 1.182 190 2HD LYS 24 HD1 LYS 24 12.881 14.088 1.721 191 1HE LYS 24 HE2 LYS 24 11.293 16.486 2.612 192 2HE LYS 24 HE1 LYS 24 12.014 15.211 3.595 193 1HZ LYS 24 HZ1 LYS 24 14.190 16.121 2.470 194 2HZ LYS 24 HZ2 LYS 24 13.554 16.836 3.875 195 3HZ LYS 24 HZ3 LYS 24 13.271 17.541 2.355 196 H HIS 25 HN HIS 25 12.092 11.850 -2.529 197 HA HIS 25 HA HIS 25 11.158 10.198 -0.348 198 1HB HIS 25 HB2 HIS 25 9.638 12.326 -0.399 199 2HB HIS 25 HB1 HIS 25 8.919 11.581 -1.824 200 HD2 HIS 25 HD2 HIS 25 8.537 8.524 -0.946 201 HE1 HIS 25 HE1 HIS 25 6.869 9.962 2.657 202 HE2 HIS 25 HE2 HIS 25 7.111 7.933 1.156 203 H LYS 26 HN LYS 26 12.537 9.156 -2.273 204 HA LYS 26 HA LYS 26 10.555 7.718 -3.969 205 1HB LYS 26 HB2 LYS 26 11.918 9.590 -5.193 206 2HB LYS 26 HB1 LYS 26 13.279 8.485 -5.030 207 1HG LYS 26 HG2 LYS 26 12.438 7.818 -7.097 208 2HG LYS 26 HG1 LYS 26 11.587 6.711 -6.028 209 1HD LYS 26 HD2 LYS 26 9.828 7.523 -7.337 210 2HD LYS 26 HD1 LYS 26 9.759 8.616 -5.956 211 1HE LYS 26 HE2 LYS 26 10.974 10.325 -7.175 212 2HE LYS 26 HE1 LYS 26 11.264 9.222 -8.520 213 1HZ LYS 26 HZ1 LYS 26 8.842 10.654 -7.778 214 2HZ LYS 26 HZ2 LYS 26 8.632 9.072 -8.361 215 3HZ LYS 26 HZ3 LYS 26 9.428 10.233 -9.312 216 H LEU 27 HN LEU 27 11.134 5.527 -4.299 217 HA LEU 27 HA LEU 27 13.226 4.553 -2.416 218 1HB LEU 27 HB2 LEU 27 10.614 3.587 -3.281 219 2HB LEU 27 HB1 LEU 27 11.821 2.333 -3.517 220 HG LEU 27 HG LEU 27 12.558 2.880 -1.063 221 1HD1 LEU 27 HD11 LEU 27 11.309 4.936 -0.754 222 2HD1 LEU 27 HD12 LEU 27 10.642 3.708 0.320 223 3HD1 LEU 27 HD13 LEU 27 9.799 4.127 -1.170 224 1HD2 LEU 27 HD21 LEU 27 10.729 1.404 -0.190 225 2HD2 LEU 27 HD22 LEU 27 11.527 0.787 -1.634 226 3HD2 LEU 27 HD23 LEU 27 9.942 1.545 -1.761 227 H LYS 28 HN LYS 28 15.040 3.751 -3.084 228 HA LYS 28 HA LYS 28 15.417 3.035 -5.985 229 1HB LYS 28 HB2 LYS 28 17.793 3.521 -4.218 230 2HB LYS 28 HB1 LYS 28 17.569 3.877 -5.932 231 1HG LYS 28 HG2 LYS 28 15.818 5.629 -5.076 232 2HG LYS 28 HG1 LYS 28 16.654 5.452 -3.534 233 1HD LYS 28 HD2 LYS 28 17.819 6.355 -6.174 234 2HD LYS 28 HD1 LYS 28 17.697 7.279 -4.677 235 1HE LYS 28 HE2 LYS 28 19.934 6.611 -4.623 236 2HE LYS 28 HE1 LYS 28 19.177 5.318 -3.694 237 1HZ LYS 28 HZ1 LYS 28 20.780 4.832 -5.705 238 2HZ LYS 28 HZ2 LYS 28 19.344 5.000 -6.596 239 3HZ LYS 28 HZ3 LYS 28 19.453 3.831 -5.367 240 H LYS 29 HN LYS 29 16.898 1.147 -6.332 241 HA LYS 29 HA LYS 29 16.137 -1.157 -4.963 242 1HB LYS 29 HB2 LYS 29 18.772 -0.519 -6.314 243 2HB LYS 29 HB1 LYS 29 18.353 -2.134 -5.743 244 1HG LYS 29 HG2 LYS 29 16.209 -1.896 -7.146 245 2HG LYS 29 HG1 LYS 29 16.994 -0.508 -7.899 246 1HD LYS 29 HD2 LYS 29 18.102 -3.330 -7.806 247 2HD LYS 29 HD1 LYS 29 17.372 -2.560 -9.213 248 1HE LYS 29 HE2 LYS 29 19.644 -2.184 -9.611 249 2HE LYS 29 HE1 LYS 29 19.195 -0.696 -8.779 250 1HZ LYS 29 HZ1 LYS 29 21.242 -2.110 -8.014 251 2HZ LYS 29 HZ2 LYS 29 20.059 -2.993 -7.174 252 3HZ LYS 29 HZ3 LYS 29 20.255 -1.333 -6.877 253 H SER 30 HN SER 30 18.851 1.001 -4.195 254 HA SER 30 HA SER 30 19.977 -0.457 -2.057 255 1HB SER 30 HB2 SER 30 20.325 2.087 -1.154 256 2HB SER 30 HB1 SER 30 21.263 1.422 -2.492 257 HG SER 30 HG SER 30 20.358 2.861 -3.703 258 H GLU 31 HN GLU 31 16.906 1.060 -2.289 259 HA GLU 31 HA GLU 31 16.501 0.990 0.681 260 1HB GLU 31 HB2 GLU 31 14.728 2.076 -1.529 261 2HB GLU 31 HB1 GLU 31 14.394 2.174 0.200 262 1HG GLU 31 HG2 GLU 31 16.504 3.456 0.509 263 2HG GLU 31 HG1 GLU 31 16.758 3.417 -1.236 264 H LEU 32 HN LEU 32 15.371 -0.403 -2.351 265 HA LEU 32 HA LEU 32 13.272 -1.935 -1.141 266 1HB LEU 32 HB2 LEU 32 14.097 -1.397 -3.742 267 2HB LEU 32 HB1 LEU 32 14.481 -3.105 -3.577 268 HG LEU 32 HG LEU 32 11.771 -1.926 -2.885 269 1HD1 LEU 32 HD11 LEU 32 12.036 -1.598 -5.237 270 2HD1 LEU 32 HD12 LEU 32 11.083 -3.070 -5.049 271 3HD1 LEU 32 HD13 LEU 32 12.798 -3.174 -5.440 272 1HD2 LEU 32 HD21 LEU 32 12.729 -4.766 -3.358 273 2HD2 LEU 32 HD22 LEU 32 11.073 -4.293 -2.979 274 3HD2 LEU 32 HD23 LEU 32 12.352 -4.063 -1.785 275 H LYS 33 HN LYS 33 16.522 -2.953 -2.247 276 HA LYS 33 HA LYS 33 16.276 -5.535 -1.028 277 1HB LYS 33 HB2 LYS 33 17.790 -5.078 -2.858 278 2HB LYS 33 HB1 LYS 33 18.657 -3.887 -1.890 279 1HG LYS 33 HG2 LYS 33 19.359 -5.649 -0.318 280 2HG LYS 33 HG1 LYS 33 18.451 -6.843 -1.247 281 1HD LYS 33 HD2 LYS 33 20.559 -7.130 -2.185 282 2HD LYS 33 HD1 LYS 33 19.908 -5.902 -3.268 283 1HE LYS 33 HE2 LYS 33 20.978 -4.144 -1.842 284 2HE LYS 33 HE1 LYS 33 21.719 -5.423 -0.880 285 1HZ LYS 33 HZ1 LYS 33 22.486 -4.398 -3.425 286 2HZ LYS 33 HZ2 LYS 33 22.274 -6.083 -3.478 287 3HZ LYS 33 HZ3 LYS 33 23.354 -5.394 -2.362 288 H GLU 34 HN GLU 34 17.474 -2.403 0.113 289 HA GLU 34 HA GLU 34 18.589 -3.547 2.572 290 1HB GLU 34 HB2 GLU 34 19.386 -1.387 1.566 291 2HB GLU 34 HB1 GLU 34 17.866 -0.651 2.091 292 1HG GLU 34 HG2 GLU 34 18.377 -1.318 4.424 293 2HG GLU 34 HG1 GLU 34 19.920 -1.979 3.881 294 H LEU 35 HN LEU 35 15.517 -2.115 1.632 295 HA LEU 35 HA LEU 35 14.478 -1.882 4.327 296 1HB LEU 35 HB2 LEU 35 13.434 -0.607 2.537 297 2HB LEU 35 HB1 LEU 35 13.134 -2.081 1.614 298 HG LEU 35 HG LEU 35 11.524 -2.875 3.226 299 1HD1 LEU 35 HD11 LEU 35 10.917 -1.316 5.173 300 2HD1 LEU 35 HD12 LEU 35 12.463 -0.522 4.874 301 3HD1 LEU 35 HD13 LEU 35 12.416 -2.221 5.335 302 1HD2 LEU 35 HD21 LEU 35 9.877 -0.967 3.176 303 2HD2 LEU 35 HD22 LEU 35 10.605 -1.340 1.613 304 3HD2 LEU 35 HD23 LEU 35 11.168 0.052 2.538 305 H ILE 36 HN ILE 36 14.532 -4.345 1.834 306 HA ILE 36 HA ILE 36 12.762 -6.186 3.132 307 HB ILE 36 HB ILE 36 14.847 -6.504 0.985 308 1HG1 ILE 36 HG12 ILE 36 11.831 -6.730 0.833 309 2HG1 ILE 36 HG11 ILE 36 12.661 -5.187 0.641 310 1HG2 ILE 36 HG21 ILE 36 13.602 -8.715 0.603 311 2HG2 ILE 36 HG22 ILE 36 12.984 -8.524 2.242 312 3HG2 ILE 36 HG23 ILE 36 14.719 -8.669 1.967 313 1HD1 ILE 36 HD11 ILE 36 12.170 -6.418 -1.521 314 2HD1 ILE 36 HD12 ILE 36 13.334 -7.633 -0.999 315 3HD1 ILE 36 HD13 ILE 36 13.860 -5.977 -1.281 316 H ASN 37 HN ASN 37 16.291 -5.803 3.176 317 HA ASN 37 HA ASN 37 16.628 -8.139 4.914 318 1HB ASN 37 HB2 ASN 37 18.522 -6.002 3.928 319 2HB ASN 37 HB1 ASN 37 19.022 -7.286 5.031 320 1HD2 ASN 37 HD21 ASN 37 18.853 -6.524 1.768 321 2HD2 ASN 37 HD22 ASN 37 18.856 -8.097 1.129 322 H ASN 38 HN ASN 38 16.208 -4.692 5.413 323 HA ASN 38 HA ASN 38 17.231 -4.874 8.188 324 1HB ASN 38 HB2 ASN 38 16.150 -2.591 6.537 325 2HB ASN 38 HB1 ASN 38 16.554 -2.414 8.244 326 1HD2 ASN 38 HD21 ASN 38 18.689 -1.828 8.655 327 2HD2 ASN 38 HD22 ASN 38 19.987 -2.065 7.586 328 H GLU 39 HN GLU 39 14.029 -4.166 6.696 329 HA GLU 39 HA GLU 39 12.837 -4.552 9.432 330 1HB GLU 39 HB2 GLU 39 12.522 -2.379 7.932 331 2HB GLU 39 HB1 GLU 39 11.294 -3.359 7.137 332 1HG GLU 39 HG2 GLU 39 10.120 -3.701 9.233 333 2HG GLU 39 HG1 GLU 39 11.413 -2.916 10.139 334 H LEU 40 HN LEU 40 11.871 -5.134 6.016 335 HA LEU 40 HA LEU 40 10.049 -7.242 6.826 336 1HB LEU 40 HB2 LEU 40 10.877 -5.910 4.339 337 2HB LEU 40 HB1 LEU 40 10.584 -7.624 4.092 338 HG LEU 40 HG LEU 40 8.556 -6.389 3.656 339 1HD1 LEU 40 HD11 LEU 40 7.777 -7.415 6.335 340 2HD1 LEU 40 HD12 LEU 40 8.640 -8.560 5.314 341 3HD1 LEU 40 HD13 LEU 40 7.152 -7.820 4.738 342 1HD2 LEU 40 HD21 LEU 40 8.753 -5.298 6.475 343 2HD2 LEU 40 HD22 LEU 40 7.510 -4.926 5.278 344 3HD2 LEU 40 HD23 LEU 40 9.170 -4.392 5.017 345 H SER 41 HN SER 41 12.879 -7.462 7.707 346 HA SER 41 HA SER 41 13.938 -9.769 6.223 347 1HB SER 41 HB2 SER 41 15.073 -7.721 7.731 348 2HB SER 41 HB1 SER 41 15.252 -9.126 8.774 349 HG SER 41 HG SER 41 16.650 -9.922 7.418 350 H HIS 42 HN HIS 42 11.852 -9.221 8.937 351 HA HIS 42 HA HIS 42 12.459 -11.845 10.157 352 1HB HIS 42 HB2 HIS 42 10.442 -11.102 11.640 353 2HB HIS 42 HB1 HIS 42 11.969 -10.236 11.799 354 HD1 HIS 42 HD1 HIS 42 9.193 -9.869 9.205 355 HD2 HIS 42 HD2 HIS 42 11.238 -7.577 12.025 356 HE1 HIS 42 HE1 HIS 42 8.357 -7.492 8.938 357 HE2 HIS 42 HE2 HIS 42 9.594 -6.089 10.652 358 H PHE 43 HN PHE 43 10.125 -10.370 8.005 359 HA PHE 43 HA PHE 43 8.492 -12.885 8.018 360 1HB PHE 43 HB2 PHE 43 7.870 -10.006 7.637 361 2HB PHE 43 HB1 PHE 43 7.087 -11.061 6.464 362 HD1 PHE 43 HD1 PHE 43 5.336 -12.569 7.102 363 HD2 PHE 43 HD2 PHE 43 7.476 -10.346 10.088 364 HE1 PHE 43 HE1 PHE 43 3.653 -13.229 8.799 365 HE2 PHE 43 HE2 PHE 43 5.794 -11.006 11.785 366 HZ PHE 43 HZ PHE 43 3.881 -12.447 11.140 367 H LEU 44 HN LEU 44 10.000 -10.508 5.788 368 HA LEU 44 HA LEU 44 9.669 -12.413 3.567 369 1HB LEU 44 HB2 LEU 44 9.627 -9.714 3.581 370 2HB LEU 44 HB1 LEU 44 11.336 -9.940 3.241 371 HG LEU 44 HG LEU 44 10.729 -11.395 1.312 372 1HD1 LEU 44 HD11 LEU 44 8.025 -11.078 2.475 373 2HD1 LEU 44 HD12 LEU 44 8.651 -12.323 1.398 374 3HD1 LEU 44 HD13 LEU 44 8.075 -10.799 0.733 375 1HD2 LEU 44 HD21 LEU 44 9.598 -8.586 1.435 376 2HD2 LEU 44 HD22 LEU 44 9.700 -9.506 -0.067 377 3HD2 LEU 44 HD23 LEU 44 11.172 -9.094 0.814 378 H GLU 45 HN GLU 45 11.285 -13.727 2.794 379 HA GLU 45 HA GLU 45 13.444 -14.509 4.382 380 1HB GLU 45 HB2 GLU 45 13.062 -14.629 1.386 381 2HB GLU 45 HB1 GLU 45 14.443 -15.375 2.192 382 1HG GLU 45 HG2 GLU 45 12.899 -16.692 3.606 383 2HG GLU 45 HG1 GLU 45 11.524 -15.961 2.776 384 H GLU 46 HN GLU 46 15.486 -13.753 4.736 385 HA GLU 46 HA GLU 46 16.215 -11.086 4.203 386 1HB GLU 46 HB2 GLU 46 18.093 -13.435 4.610 387 2HB GLU 46 HB1 GLU 46 18.486 -11.737 4.859 388 1HG GLU 46 HG2 GLU 46 17.984 -12.474 7.034 389 2HG GLU 46 HG1 GLU 46 16.466 -11.743 6.514 390 H ILE 47 HN ILE 47 15.690 -10.822 1.898 391 HA ILE 47 HA ILE 47 16.960 -12.271 -0.194 392 HB ILE 47 HB ILE 47 15.673 -9.564 0.045 393 1HG1 ILE 47 HG12 ILE 47 15.154 -11.979 -1.721 394 2HG1 ILE 47 HG11 ILE 47 14.330 -11.644 -0.206 395 1HG2 ILE 47 HG21 ILE 47 16.027 -9.286 -2.456 396 2HG2 ILE 47 HG22 ILE 47 17.276 -10.524 -2.330 397 3HG2 ILE 47 HG23 ILE 47 17.444 -9.002 -1.451 398 1HD1 ILE 47 HD11 ILE 47 14.240 -9.413 -2.163 399 2HD1 ILE 47 HD12 ILE 47 12.962 -10.088 -1.155 400 3HD1 ILE 47 HD13 ILE 47 13.400 -10.879 -2.663 401 H LYS 48 HN LYS 48 19.044 -12.318 -0.811 402 HA LYS 48 HA LYS 48 20.881 -10.122 0.102 403 1HB LYS 48 HB2 LYS 48 21.371 -13.078 -0.346 404 2HB LYS 48 HB1 LYS 48 22.667 -11.904 -0.121 405 1HG LYS 48 HG2 LYS 48 21.867 -11.328 2.076 406 2HG LYS 48 HG1 LYS 48 20.396 -12.270 1.847 407 1HD LYS 48 HD2 LYS 48 21.758 -14.334 1.666 408 2HD LYS 48 HD1 LYS 48 23.214 -13.383 1.954 409 1HE LYS 48 HE2 LYS 48 20.870 -13.604 3.868 410 2HE LYS 48 HE1 LYS 48 22.401 -14.464 4.033 411 1HZ LYS 48 HZ1 LYS 48 22.408 -11.537 3.751 412 2HZ LYS 48 HZ2 LYS 48 23.537 -12.547 4.518 413 3HZ LYS 48 HZ3 LYS 48 22.041 -12.223 5.256 414 H GLU 49 HN GLU 49 19.507 -11.757 -2.572 415 HA GLU 49 HA GLU 49 21.618 -10.730 -4.436 416 1HB GLU 49 HB2 GLU 49 19.343 -12.665 -4.979 417 2HB GLU 49 HB1 GLU 49 20.653 -12.249 -6.084 418 1HG GLU 49 HG2 GLU 49 21.021 -13.564 -3.378 419 2HG GLU 49 HG1 GLU 49 21.071 -14.406 -4.927 420 H GLN 50 HN GLN 50 20.970 -9.399 -6.200 421 HA GLN 50 HA GLN 50 18.556 -7.798 -5.647 422 1HB GLN 50 HB2 GLN 50 20.333 -7.380 -8.044 423 2HB GLN 50 HB1 GLN 50 19.474 -6.185 -7.068 424 1HG GLN 50 HG2 GLN 50 21.014 -6.798 -5.150 425 2HG GLN 50 HG1 GLN 50 21.953 -7.745 -6.305 426 1HE2 GLN 50 HE21 GLN 50 23.829 -6.374 -6.324 427 2HE2 GLN 50 HE22 GLN 50 23.794 -4.786 -6.923 428 H GLU 51 HN GLU 51 19.625 -10.272 -7.871 429 HA GLU 51 HA GLU 51 18.073 -9.976 -10.088 430 1HB GLU 51 HB2 GLU 51 18.530 -12.513 -8.508 431 2HB GLU 51 HB1 GLU 51 17.859 -12.487 -10.138 432 1HG GLU 51 HG2 GLU 51 20.527 -11.250 -9.404 433 2HG GLU 51 HG1 GLU 51 20.350 -12.879 -10.059 434 H VAL 52 HN VAL 52 16.863 -11.040 -6.936 435 HA VAL 52 HA VAL 52 14.180 -11.434 -7.995 436 HB VAL 52 HB VAL 52 14.845 -12.665 -5.982 437 1HG1 VAL 52 HG11 VAL 52 16.423 -10.763 -5.237 438 2HG1 VAL 52 HG12 VAL 52 15.548 -11.622 -3.978 439 3HG1 VAL 52 HG13 VAL 52 14.997 -10.034 -4.504 440 1HG2 VAL 52 HG21 VAL 52 12.458 -11.813 -6.273 441 2HG2 VAL 52 HG22 VAL 52 12.873 -10.530 -5.136 442 3HG2 VAL 52 HG23 VAL 52 12.926 -12.216 -4.621 443 H VAL 53 HN VAL 53 15.953 -8.898 -6.332 444 HA VAL 53 HA VAL 53 13.684 -7.140 -6.112 445 HB VAL 53 HB VAL 53 16.358 -7.113 -5.239 446 1HG1 VAL 53 HG11 VAL 53 17.327 -5.022 -5.983 447 2HG1 VAL 53 HG12 VAL 53 15.920 -4.682 -6.991 448 3HG1 VAL 53 HG13 VAL 53 16.998 -6.018 -7.402 449 1HG2 VAL 53 HG21 VAL 53 14.457 -6.230 -3.984 450 2HG2 VAL 53 HG22 VAL 53 14.312 -4.890 -5.118 451 3HG2 VAL 53 HG23 VAL 53 15.733 -5.018 -4.087 452 H ASP 54 HN ASP 54 15.795 -8.122 -8.634 453 HA ASP 54 HA ASP 54 15.212 -5.853 -10.394 454 1HB ASP 54 HB2 ASP 54 16.394 -8.592 -10.966 455 2HB ASP 54 HB1 ASP 54 16.294 -7.276 -12.137 456 H LYS 55 HN LYS 55 13.980 -9.107 -9.813 457 HA LYS 55 HA LYS 55 12.091 -8.943 -12.060 458 1HB LYS 55 HB2 LYS 55 12.961 -11.130 -11.422 459 2HB LYS 55 HB1 LYS 55 12.337 -10.935 -9.786 460 1HG LYS 55 HG2 LYS 55 10.316 -10.600 -11.959 461 2HG LYS 55 HG1 LYS 55 10.974 -12.226 -11.797 462 1HD LYS 55 HD2 LYS 55 10.042 -10.768 -9.328 463 2HD LYS 55 HD1 LYS 55 8.856 -11.522 -10.389 464 1HE LYS 55 HE2 LYS 55 11.232 -12.929 -9.133 465 2HE LYS 55 HE1 LYS 55 9.561 -13.063 -8.587 466 1HZ LYS 55 HZ1 LYS 55 9.804 -13.542 -11.384 467 2HZ LYS 55 HZ2 LYS 55 9.115 -14.522 -10.180 468 3HZ LYS 55 HZ3 LYS 55 10.782 -14.602 -10.494 469 H VAL 56 HN VAL 56 11.904 -8.743 -8.478 470 HA VAL 56 HA VAL 56 9.085 -8.421 -8.372 471 HB VAL 56 HB VAL 56 10.988 -8.611 -6.465 472 1HG1 VAL 56 HG11 VAL 56 10.249 -5.686 -6.289 473 2HG1 VAL 56 HG12 VAL 56 11.763 -6.239 -6.996 474 3HG1 VAL 56 HG13 VAL 56 11.411 -6.571 -5.302 475 1HG2 VAL 56 HG21 VAL 56 8.401 -7.105 -5.986 476 2HG2 VAL 56 HG22 VAL 56 9.300 -8.066 -4.812 477 3HG2 VAL 56 HG23 VAL 56 8.509 -8.856 -6.173 478 H MET 57 HN MET 57 11.713 -6.168 -8.997 479 HA MET 57 HA MET 57 10.168 -3.755 -9.013 480 1HB MET 57 HB2 MET 57 12.669 -3.865 -8.991 481 2HB MET 57 HB1 MET 57 12.630 -4.418 -10.664 482 1HG MET 57 HG2 MET 57 13.020 -2.033 -10.677 483 2HG MET 57 HG1 MET 57 11.377 -2.310 -11.247 484 1HE MET 57 HE1 MET 57 13.479 -1.863 -7.972 485 2HE MET 57 HE2 MET 57 12.839 -0.307 -7.437 486 3HE MET 57 HE3 MET 57 13.615 -0.434 -9.012 487 H GLU 58 HN GLU 58 10.523 -6.360 -11.331 488 HA GLU 58 HA GLU 58 9.488 -4.839 -13.587 489 1HB GLU 58 HB2 GLU 58 9.897 -7.798 -13.089 490 2HB GLU 58 HB1 GLU 58 9.134 -7.197 -14.558 491 1HG GLU 58 HG2 GLU 58 11.097 -5.870 -15.097 492 2HG GLU 58 HG1 GLU 58 11.855 -6.312 -13.568 493 H THR 59 HN THR 59 8.106 -6.772 -11.018 494 HA THR 59 HA THR 59 5.423 -6.726 -12.261 495 HB THR 59 HB THR 59 6.310 -7.675 -9.518 496 HG1 THR 59 HG1 THR 59 6.921 -8.732 -11.702 497 1HG2 THR 59 HG21 THR 59 4.082 -8.883 -9.646 498 2HG2 THR 59 HG22 THR 59 3.708 -7.876 -11.044 499 3HG2 THR 59 HG23 THR 59 3.970 -7.132 -9.466 500 H LEU 60 HN LEU 60 7.262 -5.036 -9.784 501 HA LEU 60 HA LEU 60 4.886 -3.622 -8.802 502 1HB LEU 60 HB2 LEU 60 6.726 -4.357 -7.297 503 2HB LEU 60 HB1 LEU 60 7.814 -3.250 -8.131 504 HG LEU 60 HG LEU 60 6.307 -1.378 -7.540 505 1HD1 LEU 60 HD11 LEU 60 4.701 -3.621 -6.380 506 2HD1 LEU 60 HD12 LEU 60 4.156 -2.123 -7.134 507 3HD1 LEU 60 HD13 LEU 60 4.745 -2.112 -5.475 508 1HD2 LEU 60 HD21 LEU 60 6.930 -1.322 -5.143 509 2HD2 LEU 60 HD22 LEU 60 8.258 -1.903 -6.149 510 3HD2 LEU 60 HD23 LEU 60 7.293 -3.045 -5.216 511 H ASP 61 HN ASP 61 7.996 -2.614 -10.382 512 HA ASP 61 HA ASP 61 7.283 0.110 -10.678 513 1HB ASP 61 HB2 ASP 61 9.536 -0.892 -11.080 514 2HB ASP 61 HB1 ASP 61 8.927 -1.514 -12.616 515 H GLU 62 HN GLU 62 5.391 0.666 -11.430 516 HA GLU 62 HA GLU 62 4.203 -0.701 -13.764 517 1HB GLU 62 HB2 GLU 62 2.846 0.009 -11.716 518 2HB GLU 62 HB1 GLU 62 3.071 1.670 -12.263 519 1HG GLU 62 HG2 GLU 62 0.970 0.925 -13.159 520 2HG GLU 62 HG1 GLU 62 2.114 0.956 -14.499 521 H ASP 63 HN ASP 63 5.340 2.518 -12.830 522 HA ASP 63 HA ASP 63 4.902 3.584 -15.504 523 1HB ASP 63 HB2 ASP 63 6.516 5.423 -14.502 524 2HB ASP 63 HB1 ASP 63 4.872 5.279 -13.885 525 H GLY 64 HN GLY 64 7.098 1.399 -14.204 526 1HA GLY 64 HA2 GLY 64 9.110 0.532 -15.098 527 2HA GLY 64 HA1 GLY 64 8.696 1.370 -16.593 528 H ASP 65 HN ASP 65 9.301 2.689 -13.337 529 HA ASP 65 HA ASP 65 11.226 4.611 -14.580 530 1HB ASP 65 HB2 ASP 65 11.029 5.802 -12.404 531 2HB ASP 65 HB1 ASP 65 9.466 5.578 -13.192 532 H GLY 66 HN GLY 66 11.285 1.663 -12.958 533 1HA GLY 66 HA2 GLY 66 13.176 0.454 -12.186 534 2HA GLY 66 HA1 GLY 66 14.178 1.855 -12.580 535 H GLU 67 HN GLU 67 11.519 2.774 -10.797 536 HA GLU 67 HA GLU 67 12.864 2.440 -8.158 537 1HB GLU 67 HB2 GLU 67 11.673 5.069 -9.084 538 2HB GLU 67 HB1 GLU 67 12.601 4.765 -7.617 539 1HG GLU 67 HG2 GLU 67 14.571 4.173 -9.047 540 2HG GLU 67 HG1 GLU 67 13.633 4.646 -10.465 541 H CYS 68 HN CYS 68 11.193 3.199 -6.415 542 HA CYS 68 HA CYS 68 8.440 2.367 -7.297 543 1HB CYS 68 HB2 CYS 68 9.614 1.889 -4.556 544 2HB CYS 68 HB1 CYS 68 8.162 1.178 -5.258 545 HG CYS 68 HG CYS 68 10.374 -0.424 -5.391 546 H ASP 69 HN ASP 69 7.653 4.532 -7.490 547 HA ASP 69 HA ASP 69 8.018 6.627 -5.652 548 1HB ASP 69 HB2 ASP 69 5.371 6.001 -6.995 549 2HB ASP 69 HB1 ASP 69 5.982 7.585 -6.510 550 H PHE 70 HN PHE 70 5.801 7.339 -4.257 551 HA PHE 70 HA PHE 70 5.736 5.340 -2.165 552 1HB PHE 70 HB2 PHE 70 3.836 7.057 -1.359 553 2HB PHE 70 HB1 PHE 70 5.549 7.404 -1.175 554 HD1 PHE 70 HD1 PHE 70 6.402 9.397 -2.045 555 HD2 PHE 70 HD2 PHE 70 2.781 7.791 -3.700 556 HE1 PHE 70 HE1 PHE 70 6.176 11.393 -3.493 557 HE2 PHE 70 HE2 PHE 70 2.557 9.784 -5.150 558 HZ PHE 70 HZ PHE 70 4.254 11.588 -5.047 559 H GLN 71 HN GLN 71 3.589 6.202 -4.800 560 HA GLN 71 HA GLN 71 1.223 4.987 -3.799 561 1HB GLN 71 HB2 GLN 71 1.198 6.587 -5.674 562 2HB GLN 71 HB1 GLN 71 2.056 5.421 -6.681 563 1HG GLN 71 HG2 GLN 71 0.218 3.876 -6.596 564 2HG GLN 71 HG1 GLN 71 -0.599 4.831 -5.356 565 1HE2 GLN 71 HE21 GLN 71 -2.339 4.622 -7.234 566 2HE2 GLN 71 HE22 GLN 71 -2.344 5.887 -8.365 567 H GLU 72 HN GLU 72 3.734 3.650 -6.007 568 HA GLU 72 HA GLU 72 2.360 1.043 -5.858 569 1HB GLU 72 HB2 GLU 72 3.838 0.309 -7.555 570 2HB GLU 72 HB1 GLU 72 3.387 1.958 -7.983 571 1HG GLU 72 HG2 GLU 72 5.596 2.529 -6.545 572 2HG GLU 72 HG1 GLU 72 6.032 0.891 -7.034 573 H PHE 73 HN PHE 73 5.192 2.667 -4.535 574 HA PHE 73 HA PHE 73 6.568 0.414 -3.559 575 1HB PHE 73 HB2 PHE 73 7.576 2.564 -3.237 576 2HB PHE 73 HB1 PHE 73 6.164 3.150 -2.381 577 HD1 PHE 73 HD1 PHE 73 7.462 3.911 -0.501 578 HD2 PHE 73 HD2 PHE 73 7.506 -0.235 -1.645 579 HE1 PHE 73 HE1 PHE 73 8.499 3.317 1.660 580 HE2 PHE 73 HE2 PHE 73 8.537 -0.816 0.521 581 HZ PHE 73 HZ PHE 73 9.045 0.965 2.168 582 H MET 74 HN MET 74 3.867 2.220 -2.062 583 HA MET 74 HA MET 74 3.559 0.575 0.235 584 1HB MET 74 HB2 MET 74 2.224 2.710 -0.511 585 2HB MET 74 HB1 MET 74 1.191 1.566 -1.364 586 1HG MET 74 HG2 MET 74 0.055 1.494 0.631 587 2HG MET 74 HG1 MET 74 1.323 0.369 1.106 588 1HE MET 74 HE1 MET 74 0.127 3.662 3.561 589 2HE MET 74 HE2 MET 74 -0.340 1.983 3.307 590 3HE MET 74 HE3 MET 74 -0.661 3.181 2.053 591 H ALA 75 HN ALA 75 2.271 0.314 -3.046 592 HA ALA 75 HA ALA 75 0.869 -2.133 -2.741 593 1HB ALA 75 HB1 ALA 75 1.132 -0.633 -4.860 594 2HB ALA 75 HB2 ALA 75 0.899 -2.362 -5.073 595 3HB ALA 75 HB3 ALA 75 2.504 -1.670 -5.227 596 H PHE 76 HN PHE 76 4.276 -1.587 -2.508 597 HA PHE 76 HA PHE 76 5.118 -4.295 -3.152 598 1HB PHE 76 HB2 PHE 76 6.831 -2.517 -2.990 599 2HB PHE 76 HB1 PHE 76 6.432 -2.285 -1.292 600 HD1 PHE 76 HD1 PHE 76 7.258 -3.709 0.413 601 HD2 PHE 76 HD2 PHE 76 7.824 -4.742 -3.717 602 HE1 PHE 76 HE1 PHE 76 8.821 -5.514 1.077 603 HE2 PHE 76 HE2 PHE 76 9.388 -6.545 -3.050 604 HZ PHE 76 HZ PHE 76 9.886 -6.933 -0.654 605 H VAL 77 HN VAL 77 4.602 -2.626 -0.046 606 HA VAL 77 HA VAL 77 4.815 -4.892 1.628 607 HB VAL 77 HB VAL 77 2.920 -2.543 1.941 608 1HG1 VAL 77 HG11 VAL 77 3.280 -3.104 4.388 609 2HG1 VAL 77 HG12 VAL 77 4.039 -4.603 3.848 610 3HG1 VAL 77 HG13 VAL 77 2.343 -4.286 3.476 611 1HG2 VAL 77 HG21 VAL 77 4.799 -1.677 3.402 612 2HG2 VAL 77 HG22 VAL 77 5.158 -1.694 1.676 613 3HG2 VAL 77 HG23 VAL 77 5.817 -2.948 2.725 614 H SER 78 HN SER 78 2.247 -3.815 -0.449 615 HA SER 78 HA SER 78 0.158 -5.473 0.600 616 1HB SER 78 HB2 SER 78 -0.027 -3.451 -0.958 617 2HB SER 78 HB1 SER 78 0.390 -4.553 -2.261 618 HG SER 78 HG SER 78 -1.871 -4.418 -1.960 619 H MET 79 HN MET 79 2.670 -5.940 -1.824 620 HA MET 79 HA MET 79 1.589 -8.473 -2.741 621 1HB MET 79 HB2 MET 79 4.238 -7.080 -3.162 622 2HB MET 79 HB1 MET 79 3.872 -8.661 -3.852 623 1HG MET 79 HG2 MET 79 2.143 -7.804 -5.209 624 2HG MET 79 HG1 MET 79 2.010 -6.322 -4.261 625 1HE MET 79 HE1 MET 79 5.268 -7.516 -7.240 626 2HE MET 79 HE2 MET 79 3.984 -8.507 -6.548 627 3HE MET 79 HE3 MET 79 5.392 -8.094 -5.571 628 H VAL 80 HN VAL 80 3.855 -7.463 -0.272 629 HA VAL 80 HA VAL 80 4.694 -10.251 0.215 630 HB VAL 80 HB VAL 80 6.333 -9.424 1.669 631 1HG1 VAL 80 HG11 VAL 80 7.445 -7.636 0.597 632 2HG1 VAL 80 HG12 VAL 80 5.935 -6.907 0.063 633 3HG1 VAL 80 HG13 VAL 80 6.499 -8.403 -0.681 634 1HG2 VAL 80 HG21 VAL 80 5.065 -8.302 3.327 635 2HG2 VAL 80 HG22 VAL 80 4.435 -7.134 2.173 636 3HG2 VAL 80 HG23 VAL 80 6.119 -7.046 2.676 637 H THR 81 HN THR 81 2.581 -7.728 1.416 638 HA THR 81 HA THR 81 1.867 -9.185 3.825 639 HB THR 81 HB THR 81 0.443 -6.935 2.370 640 HG1 THR 81 HG1 THR 81 2.597 -6.553 3.215 641 1HG2 THR 81 HG21 THR 81 -0.534 -6.603 4.714 642 2HG2 THR 81 HG22 THR 81 0.032 -8.238 5.060 643 3HG2 THR 81 HG23 THR 81 -1.157 -7.966 3.785 644 H THR 82 HN THR 82 0.593 -8.938 0.470 645 HA THR 82 HA THR 82 -1.824 -10.379 1.056 646 HB THR 82 HB THR 82 -1.696 -10.842 -1.482 647 HG1 THR 82 HG1 THR 82 0.757 -10.143 -1.076 648 1HG2 THR 82 HG21 THR 82 -3.099 -9.077 -0.965 649 2HG2 THR 82 HG22 THR 82 -1.852 -8.222 -1.874 650 3HG2 THR 82 HG23 THR 82 -1.845 -8.173 -0.113 651 H ALA 83 HN ALA 83 1.453 -11.449 0.017 652 HA ALA 83 HA ALA 83 0.770 -14.141 -0.519 653 1HB ALA 83 HB1 ALA 83 3.335 -13.126 0.748 654 2HB ALA 83 HB2 ALA 83 2.995 -13.065 -0.982 655 3HB ALA 83 HB3 ALA 83 3.128 -14.621 -0.163 656 H CYS 84 HN CYS 84 1.551 -12.453 2.496 657 HA CYS 84 HA CYS 84 1.518 -14.802 4.170 658 1HB CYS 84 HB2 CYS 84 0.778 -11.957 4.935 659 2HB CYS 84 HB1 CYS 84 1.310 -13.235 6.029 660 HG CYS 84 HG CYS 84 3.685 -12.903 5.304 661 H HIS 85 HN HIS 85 -0.953 -13.058 2.562 662 HA HIS 85 HA HIS 85 -3.070 -14.235 4.321 663 1HB HIS 85 HB2 HIS 85 -3.023 -11.726 3.736 664 2HB HIS 85 HB1 HIS 85 -3.490 -12.216 2.108 665 HD1 HIS 85 HD1 HIS 85 -4.663 -13.095 5.643 666 HD2 HIS 85 HD2 HIS 85 -6.230 -12.209 1.884 667 HE1 HIS 85 HE1 HIS 85 -7.183 -13.200 5.873 668 H GLU 86 HN GLU 86 -1.899 -14.111 0.970 669 HA GLU 86 HA GLU 86 -4.076 -15.663 -0.121 670 1HB GLU 86 HB2 GLU 86 -2.722 -14.345 -1.628 671 2HB GLU 86 HB1 GLU 86 -1.252 -15.164 -1.104 672 1HG GLU 86 HG2 GLU 86 -1.883 -17.204 -2.148 673 2HG GLU 86 HG1 GLU 86 -3.557 -16.680 -2.340 674 H PHE 87 HN PHE 87 -0.950 -16.458 1.308 675 HA PHE 87 HA PHE 87 -1.089 -19.270 0.627 676 1HB PHE 87 HB2 PHE 87 1.012 -17.938 1.219 677 2HB PHE 87 HB1 PHE 87 0.496 -18.061 2.901 678 HD1 PHE 87 HD1 PHE 87 0.134 -20.362 3.910 679 HD2 PHE 87 HD2 PHE 87 2.057 -19.769 0.115 680 HE1 PHE 87 HE1 PHE 87 1.102 -22.640 4.044 681 HE2 PHE 87 HE2 PHE 87 3.026 -22.049 0.250 682 HZ PHE 87 HZ PHE 87 2.548 -23.485 2.215 683 H PHE 88 HN PHE 88 -1.884 -17.351 3.524 684 HA PHE 88 HA PHE 88 -2.696 -19.650 5.091 685 1HB PHE 88 HB2 PHE 88 -3.031 -16.667 5.310 686 2HB PHE 88 HB1 PHE 88 -4.049 -17.691 6.317 687 HD1 PHE 88 HD1 PHE 88 -0.492 -18.131 5.199 688 HD2 PHE 88 HD2 PHE 88 -3.183 -17.569 8.502 689 HE1 PHE 88 HE1 PHE 88 1.385 -18.446 6.781 690 HE2 PHE 88 HE2 PHE 88 -1.301 -17.886 10.085 691 HZ PHE 88 HZ PHE 88 0.984 -18.323 9.225 692 H GLU 89 HN GLU 89 -4.060 -18.191 2.374 693 HA GLU 89 HA GLU 89 -6.860 -18.893 3.135 694 1HB GLU 89 HB2 GLU 89 -5.617 -17.228 0.948 695 2HB GLU 89 HB1 GLU 89 -7.269 -17.824 0.775 696 1HG GLU 89 HG2 GLU 89 -7.981 -16.683 2.762 697 2HG GLU 89 HG1 GLU 89 -6.319 -16.293 3.208 698 H HIS 90 HN HIS 90 -4.199 -20.299 1.533 699 HA HIS 90 HA HIS 90 -5.537 -21.641 -0.610 700 1HB HIS 90 HB2 HIS 90 -3.092 -22.361 1.020 701 2HB HIS 90 HB1 HIS 90 -3.673 -23.380 -0.296 702 HD1 HIS 90 HD1 HIS 90 -1.002 -21.424 -0.058 703 HD2 HIS 90 HD2 HIS 90 -4.373 -20.921 -2.469 704 HE1 HIS 90 HE1 HIS 90 -0.302 -19.914 -1.968 705 HE2 HIS 90 HE2 HIS 90 -2.345 -19.602 -3.440 706 H GLU 91 HN GLU 91 -7.465 -22.626 -0.093 707 HA GLU 91 HA GLU 91 -7.933 -24.053 2.355 708 1HB GLU 91 HB2 GLU 91 -9.899 -25.024 1.026 709 2HB GLU 91 HB1 GLU 91 -9.855 -23.268 1.182 710 1HG GLU 91 HG2 GLU 91 -8.969 -23.012 -1.040 711 2HG GLU 91 HG1 GLU 91 -8.689 -24.748 -1.190 712 1H MET 0 HT1 MET 0 12.191 -1.397 15.629 713 2H MET 0 HT2 MET 0 12.336 -1.869 17.255 714 3H MET 0 HT3 MET 0 11.263 -0.626 16.820 715 HA MET 0 HA MET 0 10.929 -3.501 16.672 716 1HB MET 0 HB2 MET 0 8.993 -1.168 16.754 717 2HB MET 0 HB1 MET 0 8.584 -2.863 17.021 718 1HG MET 0 HG2 MET 0 10.187 -2.886 18.950 719 2HG MET 0 HG1 MET 0 10.416 -1.152 18.724 720 1HE MET 0 HE1 MET 0 6.952 -3.390 20.605 721 2HE MET 0 HE2 MET 0 8.680 -3.598 20.880 722 3HE MET 0 HE3 MET 0 7.989 -4.014 19.315 723 H SER 1 HN SER 1 9.102 -4.229 15.123 724 HA SER 1 HA SER 1 9.859 -3.358 12.400 725 1HB SER 1 HB2 SER 1 8.176 -5.263 11.811 726 2HB SER 1 HB1 SER 1 9.728 -5.697 12.520 727 HG SER 1 HG SER 1 8.571 -6.606 14.017 728 H GLU 2 HN GLU 2 8.885 -1.255 12.608 729 HA GLU 2 HA GLU 2 6.198 -0.634 13.177 730 1HB GLU 2 HB2 GLU 2 8.065 0.549 11.106 731 2HB GLU 2 HB1 GLU 2 6.481 1.231 11.470 732 1HG GLU 2 HG2 GLU 2 7.203 1.344 13.902 733 2HG GLU 2 HG1 GLU 2 8.829 0.929 13.356 734 H LEU 3 HN LEU 3 7.595 -2.070 10.287 735 HA LEU 3 HA LEU 3 5.245 -1.836 8.660 736 1HB LEU 3 HB2 LEU 3 7.943 -2.666 8.372 737 2HB LEU 3 HB1 LEU 3 6.986 -4.064 7.916 738 HG LEU 3 HG LEU 3 7.513 -2.602 6.002 739 1HD1 LEU 3 HD11 LEU 3 4.605 -2.158 6.111 740 2HD1 LEU 3 HD12 LEU 3 5.071 -3.785 6.604 741 3HD1 LEU 3 HD13 LEU 3 5.556 -3.170 5.029 742 1HD2 LEU 3 HD21 LEU 3 7.128 -0.350 5.937 743 2HD2 LEU 3 HD22 LEU 3 7.119 -0.479 7.692 744 3HD2 LEU 3 HD23 LEU 3 5.599 -0.472 6.803 745 H GLU 4 HN GLU 4 6.113 -4.117 11.162 746 HA GLU 4 HA GLU 4 4.468 -6.282 10.180 747 1HB GLU 4 HB2 GLU 4 6.264 -6.602 11.879 748 2HB GLU 4 HB1 GLU 4 5.311 -5.671 13.030 749 1HG GLU 4 HG2 GLU 4 4.953 -8.061 13.412 750 2HG GLU 4 HG1 GLU 4 3.465 -7.337 12.803 751 H LYS 5 HN LYS 5 3.932 -3.463 12.193 752 HA LYS 5 HA LYS 5 1.289 -4.213 13.081 753 1HB LYS 5 HB2 LYS 5 2.882 -1.657 12.973 754 2HB LYS 5 HB1 LYS 5 1.174 -1.597 13.405 755 1HG LYS 5 HG2 LYS 5 1.512 -2.593 15.448 756 2HG LYS 5 HG1 LYS 5 2.739 -3.694 14.831 757 1HD LYS 5 HD2 LYS 5 3.387 -0.761 15.074 758 2HD LYS 5 HD1 LYS 5 3.422 -1.779 16.511 759 1HE LYS 5 HE2 LYS 5 5.058 -3.255 15.510 760 2HE LYS 5 HE1 LYS 5 4.925 -2.431 13.959 761 1HZ LYS 5 HZ1 LYS 5 5.657 -0.376 15.160 762 2HZ LYS 5 HZ2 LYS 5 6.838 -1.588 15.017 763 3HZ LYS 5 HZ3 LYS 5 6.027 -1.359 16.492 764 H ALA 6 HN ALA 6 2.478 -2.141 10.424 765 HA ALA 6 HA ALA 6 -0.011 -1.294 9.464 766 1HB ALA 6 HB1 ALA 6 1.136 -1.086 7.239 767 2HB ALA 6 HB2 ALA 6 2.520 -1.928 7.937 768 3HB ALA 6 HB3 ALA 6 2.029 -0.357 8.572 769 H MET 7 HN MET 7 1.806 -4.146 8.272 770 HA MET 7 HA MET 7 -0.265 -5.040 6.554 771 1HB MET 7 HB2 MET 7 0.966 -7.412 7.543 772 2HB MET 7 HB1 MET 7 1.378 -6.543 6.075 773 1HG MET 7 HG2 MET 7 3.040 -5.257 7.178 774 2HG MET 7 HG1 MET 7 2.493 -5.784 8.773 775 1HE MET 7 HE1 MET 7 3.679 -6.859 5.345 776 2HE MET 7 HE2 MET 7 4.997 -7.982 5.670 777 3HE MET 7 HE3 MET 7 5.156 -6.292 6.138 778 H VAL 8 HN VAL 8 0.251 -5.575 10.023 779 HA VAL 8 HA VAL 8 -1.880 -7.511 10.288 780 HB VAL 8 HB VAL 8 -0.497 -5.685 12.268 781 1HG1 VAL 8 HG11 VAL 8 -2.722 -7.689 12.709 782 2HG1 VAL 8 HG12 VAL 8 -2.665 -6.005 13.227 783 3HG1 VAL 8 HG13 VAL 8 -1.622 -7.200 13.999 784 1HG2 VAL 8 HG21 VAL 8 -0.480 -8.703 12.072 785 2HG2 VAL 8 HG22 VAL 8 0.658 -7.663 12.930 786 3HG2 VAL 8 HG23 VAL 8 0.654 -7.701 11.166 787 H ALA 9 HN ALA 9 -1.772 -4.040 11.090 788 HA ALA 9 HA ALA 9 -4.534 -3.789 11.716 789 1HB ALA 9 HB1 ALA 9 -2.619 -1.745 10.552 790 2HB ALA 9 HB2 ALA 9 -2.951 -2.019 12.263 791 3HB ALA 9 HB3 ALA 9 -4.207 -1.364 11.214 792 H LEU 10 HN LEU 10 -2.856 -3.834 8.621 793 HA LEU 10 HA LEU 10 -5.190 -2.918 7.118 794 1HB LEU 10 HB2 LEU 10 -2.422 -3.865 6.482 795 2HB LEU 10 HB1 LEU 10 -3.615 -3.955 5.191 796 HG LEU 10 HG LEU 10 -3.518 -1.368 6.713 797 1HD1 LEU 10 HD11 LEU 10 -1.276 -2.357 4.966 798 2HD1 LEU 10 HD12 LEU 10 -1.177 -1.561 6.532 799 3HD1 LEU 10 HD13 LEU 10 -1.632 -0.636 5.100 800 1HD2 LEU 10 HD21 LEU 10 -3.683 -2.085 3.764 801 2HD2 LEU 10 HD22 LEU 10 -3.884 -0.465 4.435 802 3HD2 LEU 10 HD23 LEU 10 -5.058 -1.727 4.810 803 H ILE 11 HN ILE 11 -3.551 -6.087 7.488 804 HA ILE 11 HA ILE 11 -5.109 -7.684 5.855 805 HB ILE 11 HB ILE 11 -3.971 -8.218 8.604 806 1HG1 ILE 11 HG12 ILE 11 -2.622 -7.859 6.322 807 2HG1 ILE 11 HG11 ILE 11 -2.124 -9.083 7.484 808 1HG2 ILE 11 HG21 ILE 11 -5.477 -10.103 6.779 809 2HG2 ILE 11 HG22 ILE 11 -5.761 -9.787 8.492 810 3HG2 ILE 11 HG23 ILE 11 -4.329 -10.681 7.986 811 1HD1 ILE 11 HD11 ILE 11 -2.294 -9.791 5.007 812 2HD1 ILE 11 HD12 ILE 11 -4.041 -9.734 5.242 813 3HD1 ILE 11 HD13 ILE 11 -3.060 -10.842 6.201 814 H ASP 12 HN ASP 12 -5.969 -6.376 9.042 815 HA ASP 12 HA ASP 12 -8.451 -7.830 9.259 816 1HB ASP 12 HB2 ASP 12 -7.503 -5.260 10.556 817 2HB ASP 12 HB1 ASP 12 -9.016 -6.066 10.971 818 H VAL 13 HN VAL 13 -7.712 -4.474 8.284 819 HA VAL 13 HA VAL 13 -10.447 -3.974 7.461 820 HB VAL 13 HB VAL 13 -7.936 -2.446 6.695 821 1HG1 VAL 13 HG11 VAL 13 -9.482 -0.583 6.342 822 2HG1 VAL 13 HG12 VAL 13 -10.841 -1.592 6.837 823 3HG1 VAL 13 HG13 VAL 13 -9.973 -1.955 5.346 824 1HG2 VAL 13 HG21 VAL 13 -9.730 -2.388 9.129 825 2HG2 VAL 13 HG22 VAL 13 -8.809 -0.972 8.644 826 3HG2 VAL 13 HG23 VAL 13 -7.970 -2.462 9.066 827 H PHE 14 HN PHE 14 -7.613 -5.319 5.927 828 HA PHE 14 HA PHE 14 -8.578 -4.924 3.208 829 1HB PHE 14 HB2 PHE 14 -6.317 -6.293 4.498 830 2HB PHE 14 HB1 PHE 14 -6.908 -7.178 3.101 831 HD1 PHE 14 HD1 PHE 14 -5.358 -6.765 1.373 832 HD2 PHE 14 HD2 PHE 14 -6.791 -3.497 3.766 833 HE1 PHE 14 HE1 PHE 14 -4.200 -5.159 -0.123 834 HE2 PHE 14 HE2 PHE 14 -5.632 -1.893 2.273 835 HZ PHE 14 HZ PHE 14 -4.340 -2.728 0.329 836 H HIS 15 HN HIS 15 -8.792 -7.660 5.494 837 HA HIS 15 HA HIS 15 -10.311 -9.249 3.584 838 1HB HIS 15 HB2 HIS 15 -8.831 -9.851 5.827 839 2HB HIS 15 HB1 HIS 15 -10.466 -10.013 6.457 840 HD1 HIS 15 HD1 HIS 15 -10.686 -12.532 6.520 841 HD2 HIS 15 HD2 HIS 15 -9.343 -11.170 2.819 842 HE1 HIS 15 HE1 HIS 15 -10.683 -14.539 4.973 843 H GLN 16 HN GLN 16 -11.154 -7.297 6.449 844 HA GLN 16 HA GLN 16 -13.884 -8.063 6.581 845 1HB GLN 16 HB2 GLN 16 -12.557 -5.426 7.268 846 2HB GLN 16 HB1 GLN 16 -14.223 -5.828 7.685 847 1HG GLN 16 HG2 GLN 16 -11.945 -7.653 8.466 848 2HG GLN 16 HG1 GLN 16 -12.394 -6.277 9.472 849 1HE2 GLN 16 HE21 GLN 16 -14.103 -6.617 10.917 850 2HE2 GLN 16 HE22 GLN 16 -15.167 -7.938 10.857 851 H TYR 17 HN TYR 17 -12.322 -5.510 4.641 852 HA TYR 17 HA TYR 17 -14.922 -4.790 3.425 853 1HB TYR 17 HB2 TYR 17 -12.091 -3.772 3.135 854 2HB TYR 17 HB1 TYR 17 -13.347 -3.292 1.993 855 HD1 TYR 17 HD1 TYR 17 -12.318 -3.212 5.559 856 HD2 TYR 17 HD2 TYR 17 -15.108 -1.775 2.625 857 HE1 TYR 17 HE1 TYR 17 -13.149 -1.520 7.175 858 HE2 TYR 17 HE2 TYR 17 -15.936 -0.085 4.241 859 HH TYR 17 HH TYR 17 -14.689 1.098 6.463 860 H SER 18 HN SER 18 -11.770 -5.997 2.158 861 HA SER 18 HA SER 18 -12.771 -6.604 -0.434 862 1HB SER 18 HB2 SER 18 -10.655 -8.275 0.929 863 2HB SER 18 HB1 SER 18 -10.782 -7.837 -0.773 864 HG SER 18 HG SER 18 -10.028 -6.256 1.440 865 H GLY 19 HN GLY 19 -13.065 -8.257 2.624 866 1HA GLY 19 HA2 GLY 19 -14.182 -10.694 1.340 867 2HA GLY 19 HA1 GLY 19 -13.840 -10.493 3.059 868 H ARG 20 HN ARG 20 -15.345 -7.688 2.133 869 HA ARG 20 HA ARG 20 -17.768 -8.278 3.542 870 1HB ARG 20 HB2 ARG 20 -16.946 -5.982 3.298 871 2HB ARG 20 HB1 ARG 20 -17.116 -6.082 1.548 872 1HG ARG 20 HG2 ARG 20 -19.581 -6.399 1.835 873 2HG ARG 20 HG1 ARG 20 -19.377 -6.218 3.576 874 1HD ARG 20 HD2 ARG 20 -18.182 -3.961 2.911 875 2HD ARG 20 HD1 ARG 20 -19.076 -4.162 1.403 876 HE ARG 20 HE ARG 20 -21.090 -3.734 2.586 877 1HH1 ARG 20 HH21 ARG 20 -18.398 -4.262 4.679 878 2HH1 ARG 20 HH22 ARG 20 -19.240 -3.753 6.104 879 1HH2 ARG 20 HH11 ARG 20 -22.201 -3.070 4.440 880 2HH2 ARG 20 HH12 ARG 20 -21.391 -3.082 5.970 881 H GLU 21 HN GLU 21 -17.000 -8.043 0.095 882 HA GLU 21 HA GLU 21 -19.009 -10.051 -0.548 883 1HB GLU 21 HB2 GLU 21 -20.770 -8.679 -1.003 884 2HB GLU 21 HB1 GLU 21 -19.811 -7.299 -0.498 885 1HG GLU 21 HG2 GLU 21 -20.611 -6.871 -2.730 886 2HG GLU 21 HG1 GLU 21 -18.882 -7.182 -2.849 887 H GLY 22 HN GLY 22 -18.807 -10.768 -2.775 888 1HA GLY 22 HA2 GLY 22 -17.747 -10.375 -5.017 889 2HA GLY 22 HA1 GLY 22 -16.334 -9.760 -4.161 890 H ASP 23 HN ASP 23 -15.362 -11.554 -5.587 891 HA ASP 23 HA ASP 23 -15.766 -14.291 -5.267 892 1HB ASP 23 HB2 ASP 23 -14.067 -13.254 -6.781 893 2HB ASP 23 HB1 ASP 23 -13.058 -12.928 -5.371 894 H LYS 24 HN LYS 24 -13.185 -12.599 -3.461 895 HA LYS 24 HA LYS 24 -14.083 -13.550 -0.893 896 1HB LYS 24 HB2 LYS 24 -12.972 -15.570 -2.322 897 2HB LYS 24 HB1 LYS 24 -11.508 -14.900 -1.614 898 1HG LYS 24 HG2 LYS 24 -13.971 -15.725 -0.037 899 2HG LYS 24 HG1 LYS 24 -12.520 -16.709 -0.221 900 1HD LYS 24 HD2 LYS 24 -11.261 -14.621 0.705 901 2HD LYS 24 HD1 LYS 24 -12.856 -14.104 1.258 902 1HE LYS 24 HE2 LYS 24 -11.309 -16.565 2.058 903 2HE LYS 24 HE1 LYS 24 -11.972 -15.300 3.092 904 1HZ LYS 24 HZ1 LYS 24 -14.214 -16.026 2.243 905 2HZ LYS 24 HZ2 LYS 24 -13.424 -17.113 3.284 906 3HZ LYS 24 HZ3 LYS 24 -13.442 -17.397 1.608 907 H HIS 25 HN HIS 25 -12.059 -11.738 -2.925 908 HA HIS 25 HA HIS 25 -11.135 -10.148 -0.695 909 1HB HIS 25 HB2 HIS 25 -9.614 -12.276 -0.792 910 2HB HIS 25 HB1 HIS 25 -8.887 -11.494 -2.194 911 HD2 HIS 25 HD2 HIS 25 -8.504 -8.463 -1.237 912 HE1 HIS 25 HE1 HIS 25 -6.869 -9.995 2.343 913 HE2 HIS 25 HE2 HIS 25 -7.084 -7.930 0.884 914 H LYS 26 HN LYS 26 -12.500 -9.051 -2.596 915 HA LYS 26 HA LYS 26 -10.505 -7.572 -4.243 916 1HB LYS 26 HB2 LYS 26 -11.863 -9.408 -5.527 917 2HB LYS 26 HB1 LYS 26 -13.225 -8.309 -5.340 918 1HG LYS 26 HG2 LYS 26 -12.371 -7.586 -7.386 919 2HG LYS 26 HG1 LYS 26 -11.530 -6.507 -6.280 920 1HD LYS 26 HD2 LYS 26 -9.752 -7.276 -7.584 921 2HD LYS 26 HD1 LYS 26 -9.703 -8.425 -6.251 922 1HE LYS 26 HE2 LYS 26 -10.949 -10.063 -7.559 923 2HE LYS 26 HE1 LYS 26 -11.154 -8.901 -8.871 924 1HZ LYS 26 HZ1 LYS 26 -8.956 -9.028 -9.454 925 2HZ LYS 26 HZ2 LYS 26 -9.245 -10.628 -8.960 926 3HZ LYS 26 HZ3 LYS 26 -8.450 -9.544 -7.920 927 H LEU 27 HN LEU 27 -11.081 -5.370 -4.517 928 HA LEU 27 HA LEU 27 -13.188 -4.452 -2.621 929 1HB LEU 27 HB2 LEU 27 -10.571 -3.460 -3.439 930 2HB LEU 27 HB1 LEU 27 -11.779 -2.200 -3.647 931 HG LEU 27 HG LEU 27 -12.531 -2.818 -1.220 932 1HD1 LEU 27 HD11 LEU 27 -11.271 -4.904 -1.037 933 2HD1 LEU 27 HD12 LEU 27 -10.693 -3.745 0.159 934 3HD1 LEU 27 HD13 LEU 27 -9.762 -4.038 -1.310 935 1HD2 LEU 27 HD21 LEU 27 -9.910 -1.467 -1.863 936 2HD2 LEU 27 HD22 LEU 27 -10.697 -1.382 -0.288 937 3HD2 LEU 27 HD23 LEU 27 -11.495 -0.710 -1.707 938 H LYS 28 HN LYS 28 -14.999 -3.631 -3.277 939 HA LYS 28 HA LYS 28 -15.352 -2.831 -6.160 940 1HB LYS 28 HB2 LYS 28 -17.758 -3.356 -4.453 941 2HB LYS 28 HB1 LYS 28 -17.489 -3.692 -6.165 942 1HG LYS 28 HG2 LYS 28 -15.760 -5.455 -5.286 943 2HG LYS 28 HG1 LYS 28 -16.637 -5.297 -3.763 944 1HD LYS 28 HD2 LYS 28 -17.741 -6.156 -6.445 945 2HD LYS 28 HD1 LYS 28 -17.641 -7.113 -4.967 946 1HE LYS 28 HE2 LYS 28 -19.881 -6.449 -4.930 947 2HE LYS 28 HE1 LYS 28 -19.140 -5.176 -3.964 948 1HZ LYS 28 HZ1 LYS 28 -19.012 -4.547 -6.723 949 2HZ LYS 28 HZ2 LYS 28 -19.736 -3.677 -5.456 950 3HZ LYS 28 HZ3 LYS 28 -20.614 -4.879 -6.275 951 H LYS 29 HN LYS 29 -16.839 -0.935 -6.464 952 HA LYS 29 HA LYS 29 -16.080 1.326 -5.019 953 1HB LYS 29 HB2 LYS 29 -18.718 0.753 -6.403 954 2HB LYS 29 HB1 LYS 29 -18.271 2.346 -5.791 955 1HG LYS 29 HG2 LYS 29 -16.137 2.126 -7.196 956 2HG LYS 29 HG1 LYS 29 -16.917 0.748 -7.972 957 1HD LYS 29 HD2 LYS 29 -18.024 3.570 -7.852 958 2HD LYS 29 HD1 LYS 29 -17.298 2.811 -9.266 959 1HE LYS 29 HE2 LYS 29 -19.568 2.439 -9.671 960 2HE LYS 29 HE1 LYS 29 -19.124 0.946 -8.843 961 1HZ LYS 29 HZ1 LYS 29 -19.784 2.167 -6.734 962 2HZ LYS 29 HZ2 LYS 29 -21.042 1.693 -7.771 963 3HZ LYS 29 HZ3 LYS 29 -20.524 3.311 -7.744 964 H SER 30 HN SER 30 -18.803 -0.848 -4.334 965 HA SER 30 HA SER 30 -19.941 0.553 -2.163 966 1HB SER 30 HB2 SER 30 -20.307 -2.004 -1.333 967 2HB SER 30 HB1 SER 30 -21.222 -1.309 -2.671 968 HG SER 30 HG SER 30 -18.957 -2.124 -3.692 969 H GLU 31 HN GLU 31 -16.868 -0.963 -2.418 970 HA GLU 31 HA GLU 31 -16.486 -0.974 0.554 971 1HB GLU 31 HB2 GLU 31 -14.705 -2.004 -1.676 972 2HB GLU 31 HB1 GLU 31 -14.373 -2.144 0.051 973 1HG GLU 31 HG2 GLU 31 -16.474 -3.437 0.332 974 2HG GLU 31 HG1 GLU 31 -16.740 -3.349 -1.410 975 H LEU 32 HN LEU 32 -15.340 0.501 -2.431 976 HA LEU 32 HA LEU 32 -13.243 1.997 -1.169 977 1HB LEU 32 HB2 LEU 32 -14.053 1.532 -3.790 978 2HB LEU 32 HB1 LEU 32 -14.436 3.235 -3.578 979 HG LEU 32 HG LEU 32 -11.731 2.038 -2.904 980 1HD1 LEU 32 HD11 LEU 32 -11.052 3.249 -5.047 981 2HD1 LEU 32 HD12 LEU 32 -12.770 3.312 -5.437 982 3HD1 LEU 32 HD13 LEU 32 -11.965 1.755 -5.255 983 1HD2 LEU 32 HD21 LEU 32 -11.019 4.371 -2.872 984 2HD2 LEU 32 HD22 LEU 32 -12.397 4.180 -1.788 985 3HD2 LEU 32 HD23 LEU 32 -12.622 4.899 -3.383 986 H LYS 33 HN LYS 33 -16.486 3.039 -2.262 987 HA LYS 33 HA LYS 33 -16.253 5.591 -0.976 988 1HB LYS 33 HB2 LYS 33 -17.754 5.150 -2.830 989 2HB LYS 33 HB1 LYS 33 -18.640 3.966 -1.869 990 1HG LYS 33 HG2 LYS 33 -19.312 5.734 -0.287 991 2HG LYS 33 HG1 LYS 33 -18.397 6.917 -1.224 992 1HD LYS 33 HD2 LYS 33 -20.500 7.228 -2.161 993 2HD LYS 33 HD1 LYS 33 -19.874 5.979 -3.235 994 1HE LYS 33 HE2 LYS 33 -20.965 4.256 -1.762 995 2HE LYS 33 HE1 LYS 33 -21.705 5.574 -0.851 996 1HZ LYS 33 HZ1 LYS 33 -22.400 6.320 -3.257 997 2HZ LYS 33 HZ2 LYS 33 -23.326 5.200 -2.378 998 3HZ LYS 33 HZ3 LYS 33 -22.249 4.662 -3.577 999 H GLU 34 HN GLU 34 -17.454 2.431 0.078 1000 HA GLU 34 HA GLU 34 -18.581 3.508 2.563 1001 1HB GLU 34 HB2 GLU 34 -19.375 1.375 1.491 1002 2HB GLU 34 HB1 GLU 34 -17.859 0.625 2.003 1003 1HG GLU 34 HG2 GLU 34 -18.382 1.229 4.350 1004 2HG GLU 34 HG1 GLU 34 -19.923 1.901 3.816 1005 H LEU 35 HN LEU 35 -15.507 2.100 1.596 1006 HA LEU 35 HA LEU 35 -14.479 1.795 4.288 1007 1HB LEU 35 HB2 LEU 35 -13.428 0.572 2.469 1008 2HB LEU 35 HB1 LEU 35 -13.127 2.069 1.587 1009 HG LEU 35 HG LEU 35 -11.518 2.817 3.223 1010 1HD1 LEU 35 HD11 LEU 35 -12.412 2.117 5.312 1011 2HD1 LEU 35 HD12 LEU 35 -10.927 1.196 5.132 1012 3HD1 LEU 35 HD13 LEU 35 -12.483 0.433 4.806 1013 1HD2 LEU 35 HD21 LEU 35 -10.679 1.248 1.538 1014 2HD2 LEU 35 HD22 LEU 35 -11.128 -0.115 2.563 1015 3HD2 LEU 35 HD23 LEU 35 -9.845 0.985 3.070 1016 H ILE 36 HN ILE 36 -14.518 4.328 1.868 1017 HA ILE 36 HA ILE 36 -12.757 6.128 3.229 1018 HB ILE 36 HB ILE 36 -14.829 6.508 1.077 1019 1HG1 ILE 36 HG12 ILE 36 -11.810 6.726 0.959 1020 2HG1 ILE 36 HG11 ILE 36 -12.647 5.197 0.705 1021 1HG2 ILE 36 HG21 ILE 36 -13.578 8.724 0.761 1022 2HG2 ILE 36 HG22 ILE 36 -12.961 8.485 2.393 1023 3HG2 ILE 36 HG23 ILE 36 -14.696 8.646 2.122 1024 1HD1 ILE 36 HD11 ILE 36 -13.787 6.024 -1.217 1025 2HD1 ILE 36 HD12 ILE 36 -12.114 6.554 -1.396 1026 3HD1 ILE 36 HD13 ILE 36 -13.345 7.689 -0.846 1027 H ASN 37 HN ASN 37 -16.287 5.744 3.239 1028 HA ASN 37 HA ASN 37 -16.635 8.034 5.035 1029 1HB ASN 37 HB2 ASN 37 -18.526 5.927 3.980 1030 2HB ASN 37 HB1 ASN 37 -19.030 7.182 5.113 1031 1HD2 ASN 37 HD21 ASN 37 -18.850 6.506 1.836 1032 2HD2 ASN 37 HD22 ASN 37 -18.839 8.092 1.237 1033 H ASN 38 HN ASN 38 -16.224 4.572 5.441 1034 HA ASN 38 HA ASN 38 -17.264 4.684 8.212 1035 1HB ASN 38 HB2 ASN 38 -16.165 2.445 6.511 1036 2HB ASN 38 HB1 ASN 38 -16.583 2.226 8.210 1037 1HD2 ASN 38 HD21 ASN 38 -18.726 1.645 8.596 1038 2HD2 ASN 38 HD22 ASN 38 -20.011 1.896 7.516 1039 H GLU 39 HN GLU 39 -14.047 4.014 6.728 1040 HA GLU 39 HA GLU 39 -12.875 4.327 9.481 1041 1HB GLU 39 HB2 GLU 39 -12.547 2.192 7.941 1042 2HB GLU 39 HB1 GLU 39 -11.325 3.192 7.159 1043 1HG GLU 39 HG2 GLU 39 -10.141 3.488 9.250 1044 2HG GLU 39 HG1 GLU 39 -11.430 2.691 10.151 1045 H LEU 40 HN LEU 40 -11.884 5.002 6.091 1046 HA LEU 40 HA LEU 40 -10.063 7.086 6.962 1047 1HB LEU 40 HB2 LEU 40 -10.888 5.806 4.452 1048 2HB LEU 40 HB1 LEU 40 -10.615 7.528 4.234 1049 HG LEU 40 HG LEU 40 -8.572 6.345 3.767 1050 1HD1 LEU 40 HD11 LEU 40 -7.215 7.796 4.865 1051 2HD1 LEU 40 HD12 LEU 40 -7.741 7.255 6.458 1052 3HD1 LEU 40 HD13 LEU 40 -8.700 8.432 5.566 1053 1HD2 LEU 40 HD21 LEU 40 -7.514 5.046 5.786 1054 2HD2 LEU 40 HD22 LEU 40 -8.723 4.257 4.778 1055 3HD2 LEU 40 HD23 LEU 40 -9.183 4.924 6.346 1056 H SER 41 HN SER 41 -12.901 7.287 7.842 1057 HA SER 41 HA SER 41 -13.953 9.634 6.412 1058 1HB SER 41 HB2 SER 41 -15.093 7.542 7.861 1059 2HB SER 41 HB1 SER 41 -15.284 8.922 8.934 1060 HG SER 41 HG SER 41 -15.804 9.455 6.287 1061 H HIS 42 HN HIS 42 -11.885 9.012 9.116 1062 HA HIS 42 HA HIS 42 -12.489 11.602 10.406 1063 1HB HIS 42 HB2 HIS 42 -10.488 10.810 11.879 1064 2HB HIS 42 HB1 HIS 42 -12.017 9.942 12.002 1065 HD1 HIS 42 HD1 HIS 42 -9.221 9.639 9.416 1066 HD2 HIS 42 HD2 HIS 42 -11.287 7.279 12.164 1067 HE1 HIS 42 HE1 HIS 42 -8.391 7.269 9.091 1068 HE2 HIS 42 HE2 HIS 42 -9.641 5.824 10.758 1069 H PHE 43 HN PHE 43 -10.154 10.177 8.220 1070 HA PHE 43 HA PHE 43 -8.514 12.690 8.317 1071 1HB PHE 43 HB2 PHE 43 -7.891 9.822 7.869 1072 2HB PHE 43 HB1 PHE 43 -7.099 10.904 6.727 1073 HD1 PHE 43 HD1 PHE 43 -5.348 12.389 7.412 1074 HD2 PHE 43 HD2 PHE 43 -7.514 10.102 10.333 1075 HE1 PHE 43 HE1 PHE 43 -3.674 13.006 9.136 1076 HE2 PHE 43 HE2 PHE 43 -5.841 10.720 12.056 1077 HZ PHE 43 HZ PHE 43 -3.921 12.171 11.458 1078 H LEU 44 HN LEU 44 -10.016 10.377 6.018 1079 HA LEU 44 HA LEU 44 -9.669 12.338 3.847 1080 1HB LEU 44 HB2 LEU 44 -9.632 9.636 3.802 1081 2HB LEU 44 HB1 LEU 44 -11.337 9.880 3.449 1082 HG LEU 44 HG LEU 44 -10.701 11.381 1.562 1083 1HD1 LEU 44 HD11 LEU 44 -8.617 12.300 1.756 1084 2HD1 LEU 44 HD12 LEU 44 -8.066 10.828 0.963 1085 3HD1 LEU 44 HD13 LEU 44 -7.995 10.963 2.720 1086 1HD2 LEU 44 HD21 LEU 44 -9.623 8.553 1.641 1087 2HD2 LEU 44 HD22 LEU 44 -9.634 9.508 0.159 1088 3HD2 LEU 44 HD23 LEU 44 -11.153 9.119 0.966 1089 H GLU 45 HN GLU 45 -11.278 13.674 3.103 1090 HA GLU 45 HA GLU 45 -13.446 14.416 4.700 1091 1HB GLU 45 HB2 GLU 45 -13.049 14.622 1.711 1092 2HB GLU 45 HB1 GLU 45 -14.435 15.340 2.531 1093 1HG GLU 45 HG2 GLU 45 -12.913 16.628 3.984 1094 2HG GLU 45 HG1 GLU 45 -11.524 15.920 3.159 1095 H GLU 46 HN GLU 46 -15.492 13.657 5.021 1096 HA GLU 46 HA GLU 46 -16.214 11.006 4.407 1097 1HB GLU 46 HB2 GLU 46 -18.104 13.337 4.871 1098 2HB GLU 46 HB1 GLU 46 -18.491 11.629 5.068 1099 1HG GLU 46 HG2 GLU 46 -18.005 12.303 7.266 1100 2HG GLU 46 HG1 GLU 46 -16.482 11.594 6.734 1101 H ILE 47 HN ILE 47 -15.675 10.804 2.103 1102 HA ILE 47 HA ILE 47 -16.931 12.307 0.038 1103 HB ILE 47 HB ILE 47 -15.642 9.597 0.221 1104 1HG1 ILE 47 HG12 ILE 47 -15.127 12.052 -1.488 1105 2HG1 ILE 47 HG11 ILE 47 -14.307 11.682 0.020 1106 1HG2 ILE 47 HG21 ILE 47 -17.403 9.057 -1.294 1107 2HG2 ILE 47 HG22 ILE 47 -15.985 9.369 -2.288 1108 3HG2 ILE 47 HG23 ILE 47 -17.244 10.596 -2.139 1109 1HD1 ILE 47 HD11 ILE 47 -14.204 9.506 -2.003 1110 2HD1 ILE 47 HD12 ILE 47 -12.938 10.140 -0.953 1111 3HD1 ILE 47 HD13 ILE 47 -13.350 10.986 -2.439 1112 H LYS 48 HN LYS 48 -19.014 12.371 -0.585 1113 HA LYS 48 HA LYS 48 -20.856 10.148 0.256 1114 1HB LYS 48 HB2 LYS 48 -21.343 13.118 -0.103 1115 2HB LYS 48 HB1 LYS 48 -22.642 11.940 0.064 1116 1HG LYS 48 HG2 LYS 48 -21.903 11.305 2.259 1117 2HG LYS 48 HG1 LYS 48 -20.404 12.221 2.084 1118 1HD LYS 48 HD2 LYS 48 -21.732 14.316 1.918 1119 2HD LYS 48 HD1 LYS 48 -23.206 13.381 2.179 1120 1HE LYS 48 HE2 LYS 48 -20.873 13.569 4.110 1121 2HE LYS 48 HE1 LYS 48 -22.425 14.386 4.291 1122 1HZ LYS 48 HZ1 LYS 48 -23.260 12.564 5.193 1123 2HZ LYS 48 HZ2 LYS 48 -21.746 11.799 5.075 1124 3HZ LYS 48 HZ3 LYS 48 -22.876 11.656 3.813 1125 H GLU 49 HN GLU 49 -19.470 11.859 -2.362 1126 HA GLU 49 HA GLU 49 -21.570 10.894 -4.267 1127 1HB GLU 49 HB2 GLU 49 -19.283 12.836 -4.726 1128 2HB GLU 49 HB1 GLU 49 -20.576 12.457 -5.864 1129 1HG GLU 49 HG2 GLU 49 -20.976 13.699 -3.125 1130 2HG GLU 49 HG1 GLU 49 -21.016 14.579 -4.653 1131 H GLN 50 HN GLN 50 -20.910 9.608 -6.068 1132 HA GLN 50 HA GLN 50 -18.503 7.985 -5.542 1133 1HB GLN 50 HB2 GLN 50 -20.281 7.650 -7.955 1134 2HB GLN 50 HB1 GLN 50 -19.408 6.421 -7.035 1135 1HG GLN 50 HG2 GLN 50 -20.930 6.938 -5.086 1136 2HG GLN 50 HG1 GLN 50 -21.880 7.943 -6.178 1137 1HE2 GLN 50 HE21 GLN 50 -23.759 6.585 -6.265 1138 2HE2 GLN 50 HE22 GLN 50 -23.733 5.024 -6.931 1139 H GLU 51 HN GLU 51 -19.557 10.516 -7.707 1140 HA GLU 51 HA GLU 51 -17.985 10.283 -9.919 1141 1HB GLU 51 HB2 GLU 51 -18.453 12.776 -8.275 1142 2HB GLU 51 HB1 GLU 51 -17.772 12.791 -9.903 1143 1HG GLU 51 HG2 GLU 51 -20.441 11.530 -9.217 1144 2HG GLU 51 HG1 GLU 51 -20.268 13.180 -9.817 1145 H VAL 52 HN VAL 52 -16.797 11.263 -6.728 1146 HA VAL 52 HA VAL 52 -14.109 11.679 -7.767 1147 HB VAL 52 HB VAL 52 -14.776 12.862 -5.728 1148 1HG1 VAL 52 HG11 VAL 52 -15.499 11.779 -3.757 1149 2HG1 VAL 52 HG12 VAL 52 -14.939 10.203 -4.307 1150 3HG1 VAL 52 HG13 VAL 52 -16.362 10.939 -5.038 1151 1HG2 VAL 52 HG21 VAL 52 -12.822 10.701 -4.912 1152 2HG2 VAL 52 HG22 VAL 52 -12.859 12.383 -4.382 1153 3HG2 VAL 52 HG23 VAL 52 -12.391 11.989 -6.036 1154 H VAL 53 HN VAL 53 -15.895 9.099 -6.180 1155 HA VAL 53 HA VAL 53 -13.625 7.340 -5.994 1156 HB VAL 53 HB VAL 53 -16.299 7.286 -5.134 1157 1HG1 VAL 53 HG11 VAL 53 -17.271 5.221 -5.949 1158 2HG1 VAL 53 HG12 VAL 53 -15.867 4.920 -6.973 1159 3HG1 VAL 53 HG13 VAL 53 -16.943 6.272 -7.328 1160 1HG2 VAL 53 HG21 VAL 53 -15.681 5.164 -4.040 1161 2HG2 VAL 53 HG22 VAL 53 -14.391 6.359 -3.913 1162 3HG2 VAL 53 HG23 VAL 53 -14.266 5.047 -5.083 1163 H ASP 54 HN ASP 54 -15.723 8.385 -8.500 1164 HA ASP 54 HA ASP 54 -15.126 6.170 -10.321 1165 1HB ASP 54 HB2 ASP 54 -16.301 8.926 -10.824 1166 2HB ASP 54 HB1 ASP 54 -16.200 7.642 -12.029 1167 H LYS 55 HN LYS 55 -13.897 9.406 -9.642 1168 HA LYS 55 HA LYS 55 -11.993 9.312 -11.879 1169 1HB LYS 55 HB2 LYS 55 -12.877 11.475 -11.170 1170 2HB LYS 55 HB1 LYS 55 -12.249 11.230 -9.543 1171 1HG LYS 55 HG2 LYS 55 -10.237 10.976 -11.736 1172 2HG LYS 55 HG1 LYS 55 -10.895 12.592 -11.509 1173 1HD LYS 55 HD2 LYS 55 -9.953 11.050 -9.096 1174 2HD LYS 55 HD1 LYS 55 -8.767 11.832 -10.137 1175 1HE LYS 55 HE2 LYS 55 -11.129 13.207 -8.820 1176 2HE LYS 55 HE1 LYS 55 -9.451 13.318 -8.289 1177 1HZ LYS 55 HZ1 LYS 55 -9.795 15.191 -9.617 1178 2HZ LYS 55 HZ2 LYS 55 -10.650 14.320 -10.798 1179 3HZ LYS 55 HZ3 LYS 55 -8.973 14.109 -10.631 1180 H VAL 56 HN VAL 56 -11.824 9.014 -8.306 1181 HA VAL 56 HA VAL 56 -9.010 8.680 -8.195 1182 HB VAL 56 HB VAL 56 -10.912 8.832 -6.288 1183 1HG1 VAL 56 HG11 VAL 56 -11.703 6.474 -6.906 1184 2HG1 VAL 56 HG12 VAL 56 -11.391 6.770 -5.198 1185 3HG1 VAL 56 HG13 VAL 56 -10.212 5.893 -6.171 1186 1HG2 VAL 56 HG21 VAL 56 -8.418 9.018 -5.996 1187 2HG2 VAL 56 HG22 VAL 56 -8.361 7.263 -5.830 1188 3HG2 VAL 56 HG23 VAL 56 -9.238 8.233 -4.649 1189 H MET 57 HN MET 57 -11.639 6.444 -8.894 1190 HA MET 57 HA MET 57 -10.094 4.032 -8.966 1191 1HB MET 57 HB2 MET 57 -12.593 4.140 -8.960 1192 2HB MET 57 HB1 MET 57 -12.542 4.741 -10.616 1193 1HG MET 57 HG2 MET 57 -12.931 2.355 -10.694 1194 2HG MET 57 HG1 MET 57 -11.285 2.650 -11.251 1195 1HE MET 57 HE1 MET 57 -12.752 0.567 -7.480 1196 2HE MET 57 HE2 MET 57 -13.522 0.695 -9.059 1197 3HE MET 57 HE3 MET 57 -13.412 2.121 -8.024 1198 H GLU 58 HN GLU 58 -10.430 6.694 -11.218 1199 HA GLU 58 HA GLU 58 -9.379 5.244 -13.512 1200 1HB GLU 58 HB2 GLU 58 -9.792 8.183 -12.922 1201 2HB GLU 58 HB1 GLU 58 -9.025 7.628 -14.408 1202 1HG GLU 58 HG2 GLU 58 -10.993 6.310 -14.982 1203 2HG GLU 58 HG1 GLU 58 -11.751 6.727 -13.446 1204 H THR 59 HN THR 59 -8.012 7.101 -10.880 1205 HA THR 59 HA THR 59 -5.323 7.085 -12.108 1206 HB THR 59 HB THR 59 -6.228 7.964 -9.349 1207 HG1 THR 59 HG1 THR 59 -5.390 9.932 -10.913 1208 1HG2 THR 59 HG21 THR 59 -3.900 7.450 -9.250 1209 2HG2 THR 59 HG22 THR 59 -3.991 9.198 -9.475 1210 3HG2 THR 59 HG23 THR 59 -3.610 8.152 -10.842 1211 H LEU 60 HN LEU 60 -7.178 5.332 -9.691 1212 HA LEU 60 HA LEU 60 -4.806 3.895 -8.731 1213 1HB LEU 60 HB2 LEU 60 -6.651 4.590 -7.209 1214 2HB LEU 60 HB1 LEU 60 -7.740 3.511 -8.080 1215 HG LEU 60 HG LEU 60 -6.237 1.618 -7.539 1216 1HD1 LEU 60 HD11 LEU 60 -4.089 2.352 -7.103 1217 2HD1 LEU 60 HD12 LEU 60 -4.683 2.292 -5.447 1218 3HD1 LEU 60 HD13 LEU 60 -4.639 3.827 -6.304 1219 1HD2 LEU 60 HD21 LEU 60 -7.276 3.230 -5.198 1220 2HD2 LEU 60 HD22 LEU 60 -6.845 1.523 -5.116 1221 3HD2 LEU 60 HD23 LEU 60 -8.184 2.048 -6.137 1222 H ASP 61 HN ASP 61 -7.910 2.926 -10.351 1223 HA ASP 61 HA ASP 61 -7.192 0.212 -10.719 1224 1HB ASP 61 HB2 ASP 61 -9.447 1.222 -11.109 1225 2HB ASP 61 HB1 ASP 61 -8.828 1.886 -12.623 1226 H GLU 62 HN GLU 62 -5.300 -0.323 -11.474 1227 HA GLU 62 HA GLU 62 -4.095 1.111 -13.758 1228 1HB GLU 62 HB2 GLU 62 -2.758 0.346 -11.722 1229 2HB GLU 62 HB1 GLU 62 -2.977 -1.300 -12.318 1230 1HG GLU 62 HG2 GLU 62 -0.865 -0.526 -13.169 1231 2HG GLU 62 HG1 GLU 62 -1.995 -0.524 -14.523 1232 H ASP 63 HN ASP 63 -5.244 -2.127 -12.924 1233 HA ASP 63 HA ASP 63 -4.781 -3.120 -15.623 1234 1HB ASP 63 HB2 ASP 63 -6.399 -4.990 -14.689 1235 2HB ASP 63 HB1 ASP 63 -4.759 -4.861 -14.055 1236 H GLY 64 HN GLY 64 -6.989 -0.973 -14.279 1237 1HA GLY 64 HA2 GLY 64 -8.995 -0.085 -15.163 1238 2HA GLY 64 HA1 GLY 64 -8.569 -0.882 -16.676 1239 H ASP 65 HN ASP 65 -9.197 -2.286 -13.462 1240 HA ASP 65 HA ASP 65 -11.116 -4.173 -14.767 1241 1HB ASP 65 HB2 ASP 65 -10.932 -5.420 -12.619 1242 2HB ASP 65 HB1 ASP 65 -9.365 -5.180 -13.395 1243 H GLY 66 HN GLY 66 -11.188 -1.269 -13.072 1244 1HA GLY 66 HA2 GLY 66 -13.083 -0.087 -12.274 1245 2HA GLY 66 HA1 GLY 66 -14.082 -1.478 -12.708 1246 H GLU 67 HN GLU 67 -11.436 -2.453 -10.942 1247 HA GLU 67 HA GLU 67 -12.791 -2.175 -8.301 1248 1HB GLU 67 HB2 GLU 67 -11.593 -4.786 -9.262 1249 2HB GLU 67 HB1 GLU 67 -12.552 -4.508 -7.810 1250 1HG GLU 67 HG2 GLU 67 -14.490 -3.888 -9.269 1251 2HG GLU 67 HG1 GLU 67 -13.524 -4.335 -10.676 1252 H CYS 68 HN CYS 68 -11.131 -2.988 -6.564 1253 HA CYS 68 HA CYS 68 -8.373 -2.130 -7.408 1254 1HB CYS 68 HB2 CYS 68 -9.558 -1.728 -4.658 1255 2HB CYS 68 HB1 CYS 68 -8.106 -0.993 -5.340 1256 HG CYS 68 HG CYS 68 -10.666 -0.294 -6.876 1257 H ASP 69 HN ASP 69 -7.586 -4.292 -7.658 1258 HA ASP 69 HA ASP 69 -7.960 -6.440 -5.883 1259 1HB ASP 69 HB2 ASP 69 -5.305 -5.773 -7.192 1260 2HB ASP 69 HB1 ASP 69 -5.915 -7.368 -6.755 1261 H PHE 70 HN PHE 70 -5.751 -7.191 -4.492 1262 HA PHE 70 HA PHE 70 -5.700 -5.248 -2.342 1263 1HB PHE 70 HB2 PHE 70 -3.811 -6.987 -1.569 1264 2HB PHE 70 HB1 PHE 70 -5.525 -7.336 -1.414 1265 HD1 PHE 70 HD1 PHE 70 -6.371 -9.306 -2.342 1266 HD2 PHE 70 HD2 PHE 70 -2.737 -7.651 -3.928 1267 HE1 PHE 70 HE1 PHE 70 -6.133 -11.263 -3.844 1268 HE2 PHE 70 HE2 PHE 70 -2.503 -9.608 -5.429 1269 HZ PHE 70 HZ PHE 70 -4.198 -11.414 -5.386 1270 H GLN 71 HN GLN 71 -3.536 -6.037 -4.984 1271 HA GLN 71 HA GLN 71 -1.177 -4.850 -3.939 1272 1HB GLN 71 HB2 GLN 71 -1.137 -6.399 -5.854 1273 2HB GLN 71 HB1 GLN 71 -1.995 -5.209 -6.834 1274 1HG GLN 71 HG2 GLN 71 -0.163 -3.662 -6.703 1275 2HG GLN 71 HG1 GLN 71 0.649 -4.644 -5.483 1276 1HE2 GLN 71 HE21 GLN 71 2.405 -4.395 -7.333 1277 2HE2 GLN 71 HE22 GLN 71 2.423 -5.631 -8.495 1278 H GLU 72 HN GLU 72 -3.676 -3.453 -6.124 1279 HA GLU 72 HA GLU 72 -2.301 -0.850 -5.900 1280 1HB GLU 72 HB2 GLU 72 -3.764 -0.074 -7.593 1281 2HB GLU 72 HB1 GLU 72 -3.317 -1.716 -8.052 1282 1HG GLU 72 HG2 GLU 72 -5.535 -2.310 -6.644 1283 2HG GLU 72 HG1 GLU 72 -5.964 -0.660 -7.096 1284 H PHE 73 HN PHE 73 -5.142 -2.509 -4.639 1285 HA PHE 73 HA PHE 73 -6.523 -0.284 -3.607 1286 1HB PHE 73 HB2 PHE 73 -7.535 -2.446 -3.350 1287 2HB PHE 73 HB1 PHE 73 -6.125 -3.052 -2.500 1288 HD1 PHE 73 HD1 PHE 73 -7.426 -3.863 -0.642 1289 HD2 PHE 73 HD2 PHE 73 -7.482 0.311 -1.688 1290 HE1 PHE 73 HE1 PHE 73 -8.472 -3.320 1.529 1291 HE2 PHE 73 HE2 PHE 73 -8.523 0.837 0.487 1292 HZ PHE 73 HZ PHE 73 -9.029 -0.982 2.089 1293 H MET 74 HN MET 74 -3.827 -2.132 -2.147 1294 HA MET 74 HA MET 74 -3.538 -0.549 0.199 1295 1HB MET 74 HB2 MET 74 -2.191 -2.662 -0.598 1296 2HB MET 74 HB1 MET 74 -1.154 -1.490 -1.408 1297 1HG MET 74 HG2 MET 74 -0.035 -1.486 0.599 1298 2HG MET 74 HG1 MET 74 -1.301 -0.366 1.091 1299 1HE MET 74 HE1 MET 74 0.655 -3.222 1.984 1300 2HE MET 74 HE2 MET 74 -0.143 -3.726 3.469 1301 3HE MET 74 HE3 MET 74 0.333 -2.041 3.265 1302 H ALA 75 HN ALA 75 -2.229 -0.195 -3.067 1303 HA ALA 75 HA ALA 75 -0.831 2.242 -2.683 1304 1HB ALA 75 HB1 ALA 75 -0.847 2.539 -5.007 1305 2HB ALA 75 HB2 ALA 75 -2.444 1.846 -5.195 1306 3HB ALA 75 HB3 ALA 75 -1.070 0.803 -4.848 1307 H PHE 76 HN PHE 76 -4.236 1.688 -2.484 1308 HA PHE 76 HA PHE 76 -5.079 4.412 -3.057 1309 1HB PHE 76 HB2 PHE 76 -6.793 2.633 -2.960 1310 2HB PHE 76 HB1 PHE 76 -6.408 2.350 -1.264 1311 HD1 PHE 76 HD1 PHE 76 -7.244 3.731 0.477 1312 HD2 PHE 76 HD2 PHE 76 -7.777 4.874 -3.630 1313 HE1 PHE 76 HE1 PHE 76 -8.808 5.523 1.177 1314 HE2 PHE 76 HE2 PHE 76 -9.342 6.662 -2.927 1315 HZ PHE 76 HZ PHE 76 -9.857 6.988 -0.525 1316 H VAL 77 HN VAL 77 -4.574 2.653 -0.003 1317 HA VAL 77 HA VAL 77 -4.800 4.869 1.730 1318 HB VAL 77 HB VAL 77 -2.909 2.510 1.985 1319 1HG1 VAL 77 HG11 VAL 77 -2.340 4.259 3.541 1320 2HG1 VAL 77 HG12 VAL 77 -3.197 3.013 4.433 1321 3HG1 VAL 77 HG13 VAL 77 -4.032 4.500 3.972 1322 1HG2 VAL 77 HG21 VAL 77 -5.687 2.843 3.146 1323 2HG2 VAL 77 HG22 VAL 77 -4.687 1.390 3.145 1324 3HG2 VAL 77 HG23 VAL 77 -5.377 1.986 1.635 1325 H SER 78 HN SER 78 -2.218 3.850 -0.363 1326 HA SER 78 HA SER 78 -0.142 5.482 0.752 1327 1HB SER 78 HB2 SER 78 0.058 3.506 -0.854 1328 2HB SER 78 HB1 SER 78 -0.352 4.636 -2.132 1329 HG SER 78 HG SER 78 1.522 5.621 -1.876 1330 H MET 79 HN MET 79 -2.637 6.019 -1.676 1331 HA MET 79 HA MET 79 -1.550 8.576 -2.517 1332 1HB MET 79 HB2 MET 79 -4.193 7.189 -2.985 1333 2HB MET 79 HB1 MET 79 -3.831 8.787 -3.636 1334 1HG MET 79 HG2 MET 79 -2.081 7.961 -5.001 1335 2HG MET 79 HG1 MET 79 -1.970 6.453 -4.095 1336 1HE MET 79 HE1 MET 79 -5.090 7.790 -7.125 1337 2HE MET 79 HE2 MET 79 -3.917 8.749 -6.225 1338 3HE MET 79 HE3 MET 79 -5.406 8.227 -5.441 1339 H VAL 80 HN VAL 80 -3.832 7.496 -0.092 1340 HA VAL 80 HA VAL 80 -4.672 10.271 0.463 1341 HB VAL 80 HB VAL 80 -6.322 9.408 1.878 1342 1HG1 VAL 80 HG11 VAL 80 -7.447 7.713 0.719 1343 2HG1 VAL 80 HG12 VAL 80 -5.956 6.890 0.269 1344 3HG1 VAL 80 HG13 VAL 80 -6.398 8.404 -0.521 1345 1HG2 VAL 80 HG21 VAL 80 -5.043 8.249 3.511 1346 2HG2 VAL 80 HG22 VAL 80 -4.443 7.089 2.335 1347 3HG2 VAL 80 HG23 VAL 80 -6.126 7.026 2.848 1348 H THR 81 HN THR 81 -2.568 7.717 1.612 1349 HA THR 81 HA THR 81 -1.868 9.105 4.064 1350 HB THR 81 HB THR 81 -0.435 6.901 2.552 1351 HG1 THR 81 HG1 THR 81 -2.684 6.748 3.607 1352 1HG2 THR 81 HG21 THR 81 0.583 6.496 4.836 1353 2HG2 THR 81 HG22 THR 81 -0.059 8.067 5.316 1354 3HG2 THR 81 HG23 THR 81 1.135 7.960 4.023 1355 H THR 82 HN THR 82 -0.582 8.964 0.706 1356 HA THR 82 HA THR 82 1.837 10.381 1.352 1357 HB THR 82 HB THR 82 1.726 10.915 -1.173 1358 HG1 THR 82 HG1 THR 82 -0.710 10.335 -0.879 1359 1HG2 THR 82 HG21 THR 82 1.879 8.216 0.130 1360 2HG2 THR 82 HG22 THR 82 3.127 9.137 -0.711 1361 3HG2 THR 82 HG23 THR 82 1.877 8.301 -1.632 1362 H ALA 83 HN ALA 83 -1.430 11.481 0.320 1363 HA ALA 83 HA ALA 83 -0.751 14.190 -0.128 1364 1HB ALA 83 HB1 ALA 83 -3.150 14.631 0.429 1365 2HB ALA 83 HB2 ALA 83 -3.293 12.964 0.987 1366 3HB ALA 83 HB3 ALA 83 -2.951 13.300 -0.710 1367 H CYS 84 HN CYS 84 -1.545 12.408 2.832 1368 HA CYS 84 HA CYS 84 -1.521 14.715 4.567 1369 1HB CYS 84 HB2 CYS 84 -0.788 11.855 5.282 1370 2HB CYS 84 HB1 CYS 84 -1.343 13.112 6.390 1371 HG CYS 84 HG CYS 84 -3.697 12.731 5.670 1372 H HIS 85 HN HIS 85 0.957 13.003 2.931 1373 HA HIS 85 HA HIS 85 3.064 14.137 4.729 1374 1HB HIS 85 HB2 HIS 85 3.029 11.645 4.070 1375 2HB HIS 85 HB1 HIS 85 3.507 12.186 2.462 1376 HD1 HIS 85 HD1 HIS 85 4.647 12.974 6.027 1377 HD2 HIS 85 HD2 HIS 85 6.244 12.183 2.263 1378 HE1 HIS 85 HE1 HIS 85 7.166 13.048 6.288 1379 H GLU 86 HN GLU 86 1.912 14.109 1.371 1380 HA GLU 86 HA GLU 86 4.093 15.689 0.329 1381 1HB GLU 86 HB2 GLU 86 2.728 14.408 -1.211 1382 2HB GLU 86 HB1 GLU 86 1.267 15.239 -0.675 1383 1HG GLU 86 HG2 GLU 86 1.937 17.292 -1.666 1384 2HG GLU 86 HG1 GLU 86 3.603 16.746 -1.860 1385 H PHE 87 HN PHE 87 0.959 16.446 1.762 1386 HA PHE 87 HA PHE 87 1.105 19.276 1.163 1387 1HB PHE 87 HB2 PHE 87 -0.999 17.926 1.720 1388 2HB PHE 87 HB1 PHE 87 -0.483 18.013 3.404 1389 HD1 PHE 87 HD1 PHE 87 -0.142 20.285 4.475 1390 HD2 PHE 87 HD2 PHE 87 -2.028 19.793 0.644 1391 HE1 PHE 87 HE1 PHE 87 -1.117 22.558 4.661 1392 HE2 PHE 87 HE2 PHE 87 -3.001 22.067 0.833 1393 HZ PHE 87 HZ PHE 87 -2.546 23.448 2.843 1394 H PHE 88 HN PHE 88 1.884 17.276 4.011 1395 HA PHE 88 HA PHE 88 2.687 19.529 5.648 1396 1HB PHE 88 HB2 PHE 88 3.008 16.541 5.787 1397 2HB PHE 88 HB1 PHE 88 4.028 17.533 6.827 1398 HD1 PHE 88 HD1 PHE 88 0.481 18.025 5.702 1399 HD2 PHE 88 HD2 PHE 88 3.154 17.349 8.999 1400 HE1 PHE 88 HE1 PHE 88 -1.402 18.297 7.286 1401 HE2 PHE 88 HE2 PHE 88 1.266 17.622 10.583 1402 HZ PHE 88 HZ PHE 88 -1.012 18.096 9.726 1403 H GLU 89 HN GLU 89 4.066 18.147 2.898 1404 HA GLU 89 HA GLU 89 6.862 18.828 3.697 1405 1HB GLU 89 HB2 GLU 89 5.639 17.227 1.451 1406 2HB GLU 89 HB1 GLU 89 7.293 17.825 1.315 1407 1HG GLU 89 HG2 GLU 89 7.981 16.631 3.275 1408 2HG GLU 89 HG1 GLU 89 6.315 16.234 3.697 1409 H HIS 90 HN HIS 90 4.212 20.277 2.120 1410 HA HIS 90 HA HIS 90 5.559 21.679 0.023 1411 1HB HIS 90 HB2 HIS 90 3.107 22.344 1.662 1412 2HB HIS 90 HB1 HIS 90 3.691 23.405 0.383 1413 HD1 HIS 90 HD1 HIS 90 1.024 21.433 0.543 1414 HD2 HIS 90 HD2 HIS 90 4.409 21.021 -1.866 1415 HE1 HIS 90 HE1 HIS 90 0.339 19.989 -1.422 1416 HE2 HIS 90 HE2 HIS 90 2.392 19.724 -2.886 1417 H GLU 91 HN GLU 91 7.488 22.646 0.580 1418 HA GLU 91 HA GLU 91 7.942 24.009 3.068 1419 1HB GLU 91 HB2 GLU 91 9.925 25.002 1.789 1420 2HB GLU 91 HB1 GLU 91 9.866 23.242 1.872 1421 1HG GLU 91 HG2 GLU 91 8.982 23.086 -0.360 1422 2HG GLU 91 HG1 GLU 91 8.728 24.830 -0.440 Start of MODEL 18 1 1H MET 0 HT1 MET 0 -8.331 0.725 17.865 2 2H MET 0 HT2 MET 0 -8.989 -0.274 16.658 3 3H MET 0 HT3 MET 0 -9.722 -0.189 18.189 4 HA MET 0 HA MET 0 -11.100 1.247 17.176 5 1HB MET 0 HB2 MET 0 -8.606 2.856 17.759 6 2HB MET 0 HB1 MET 0 -10.115 3.610 17.246 7 1HG MET 0 HG2 MET 0 -9.960 1.717 19.601 8 2HG MET 0 HG1 MET 0 -9.760 3.461 19.769 9 1HE MET 0 HE1 MET 0 -13.301 2.520 21.156 10 2HE MET 0 HE2 MET 0 -11.575 2.574 21.508 11 3HE MET 0 HE3 MET 0 -12.274 1.129 20.781 12 H SER 1 HN SER 1 -8.845 3.370 15.782 13 HA SER 1 HA SER 1 -9.803 2.662 13.089 14 1HB SER 1 HB2 SER 1 -7.730 4.762 13.688 15 2HB SER 1 HB1 SER 1 -8.901 4.714 12.370 16 HG SER 1 HG SER 1 -10.537 5.010 13.931 17 H GLU 2 HN GLU 2 -8.859 0.763 12.525 18 HA GLU 2 HA GLU 2 -6.140 0.002 13.006 19 1HB GLU 2 HB2 GLU 2 -8.026 -0.918 10.817 20 2HB GLU 2 HB1 GLU 2 -6.525 -1.728 11.271 21 1HG GLU 2 HG2 GLU 2 -7.415 -1.999 13.588 22 2HG GLU 2 HG1 GLU 2 -8.939 -1.288 13.056 23 H LEU 3 HN LEU 3 -7.640 1.777 10.326 24 HA LEU 3 HA LEU 3 -5.378 1.670 8.584 25 1HB LEU 3 HB2 LEU 3 -7.988 2.432 8.391 26 2HB LEU 3 HB1 LEU 3 -7.224 4.011 8.473 27 HG LEU 3 HG LEU 3 -7.468 3.325 6.179 28 1HD1 LEU 3 HD11 LEU 3 -5.302 3.844 5.439 29 2HD1 LEU 3 HD12 LEU 3 -4.541 2.953 6.756 30 3HD1 LEU 3 HD13 LEU 3 -5.331 4.497 7.075 31 1HD2 LEU 3 HD21 LEU 3 -5.543 1.051 6.365 32 2HD2 LEU 3 HD22 LEU 3 -6.930 1.272 5.303 33 3HD2 LEU 3 HD23 LEU 3 -7.176 0.753 6.968 34 H GLU 4 HN GLU 4 -6.066 3.656 11.381 35 HA GLU 4 HA GLU 4 -4.294 5.830 10.628 36 1HB GLU 4 HB2 GLU 4 -5.456 4.959 13.279 37 2HB GLU 4 HB1 GLU 4 -4.396 6.358 13.116 38 1HG GLU 4 HG2 GLU 4 -5.938 7.350 11.472 39 2HG GLU 4 HG1 GLU 4 -7.006 5.955 11.629 40 H LYS 5 HN LYS 5 -3.891 2.801 12.427 41 HA LYS 5 HA LYS 5 -1.247 3.406 13.394 42 1HB LYS 5 HB2 LYS 5 -2.890 0.905 13.047 43 2HB LYS 5 HB1 LYS 5 -1.169 0.748 13.403 44 1HG LYS 5 HG2 LYS 5 -1.365 1.782 15.491 45 2HG LYS 5 HG1 LYS 5 -2.860 2.606 15.062 46 1HD LYS 5 HD2 LYS 5 -2.911 -0.397 15.088 47 2HD LYS 5 HD1 LYS 5 -2.842 0.424 16.646 48 1HE LYS 5 HE2 LYS 5 -4.884 1.566 16.269 49 2HE LYS 5 HE1 LYS 5 -4.855 1.220 14.539 50 1HZ LYS 5 HZ1 LYS 5 -6.317 -0.353 15.280 51 2HZ LYS 5 HZ2 LYS 5 -5.545 -0.542 16.781 52 3HZ LYS 5 HZ3 LYS 5 -4.869 -1.230 15.383 53 H ALA 6 HN ALA 6 -2.433 1.661 10.516 54 HA ALA 6 HA ALA 6 0.157 1.036 9.485 55 1HB ALA 6 HB1 ALA 6 -1.989 -0.004 8.706 56 2HB ALA 6 HB2 ALA 6 -1.003 0.604 7.379 57 3HB ALA 6 HB3 ALA 6 -2.399 1.523 7.931 58 H MET 7 HN MET 7 -2.065 3.703 8.775 59 HA MET 7 HA MET 7 -0.409 5.022 6.892 60 1HB MET 7 HB2 MET 7 -2.828 5.530 7.339 61 2HB MET 7 HB1 MET 7 -2.347 6.300 8.848 62 1HG MET 7 HG2 MET 7 -0.872 7.839 7.514 63 2HG MET 7 HG1 MET 7 -1.555 7.137 6.054 64 1HE MET 7 HE1 MET 7 -5.062 8.314 5.764 65 2HE MET 7 HE2 MET 7 -4.584 6.735 6.378 66 3HE MET 7 HE3 MET 7 -3.653 7.489 5.087 67 H VAL 8 HN VAL 8 -0.436 5.176 10.430 68 HA VAL 8 HA VAL 8 1.587 7.320 10.429 69 HB VAL 8 HB VAL 8 0.379 5.628 12.639 70 1HG1 VAL 8 HG11 VAL 8 2.546 6.156 13.446 71 2HG1 VAL 8 HG12 VAL 8 1.519 7.430 14.103 72 3HG1 VAL 8 HG13 VAL 8 2.530 7.751 12.694 73 1HG2 VAL 8 HG21 VAL 8 -0.719 7.739 13.252 74 2HG2 VAL 8 HG22 VAL 8 -1.088 7.334 11.575 75 3HG2 VAL 8 HG23 VAL 8 0.115 8.571 11.938 76 H ALA 9 HN ALA 9 1.425 3.847 11.044 77 HA ALA 9 HA ALA 9 4.158 3.502 11.818 78 1HB ALA 9 HB1 ALA 9 3.809 1.137 11.346 79 2HB ALA 9 HB2 ALA 9 2.376 1.510 10.388 80 3HB ALA 9 HB3 ALA 9 2.369 1.788 12.130 81 H LEU 10 HN LEU 10 2.591 3.682 8.638 82 HA LEU 10 HA LEU 10 5.007 2.803 7.239 83 1HB LEU 10 HB2 LEU 10 2.304 3.848 6.456 84 2HB LEU 10 HB1 LEU 10 3.586 3.856 5.250 85 HG LEU 10 HG LEU 10 3.325 1.293 6.774 86 1HD1 LEU 10 HD11 LEU 10 1.414 0.645 5.111 87 2HD1 LEU 10 HD12 LEU 10 1.095 2.379 5.087 88 3HD1 LEU 10 HD13 LEU 10 1.014 1.492 6.602 89 1HD2 LEU 10 HD21 LEU 10 3.397 1.827 3.788 90 2HD2 LEU 10 HD22 LEU 10 3.817 0.331 4.624 91 3HD2 LEU 10 HD23 LEU 10 4.847 1.754 4.791 92 H ILE 11 HN ILE 11 3.399 5.968 7.716 93 HA ILE 11 HA ILE 11 5.037 7.629 6.231 94 HB ILE 11 HB ILE 11 3.845 8.027 8.983 95 1HG1 ILE 11 HG12 ILE 11 2.490 7.777 6.729 96 2HG1 ILE 11 HG11 ILE 11 2.046 9.031 7.880 97 1HG2 ILE 11 HG21 ILE 11 5.460 9.939 7.298 98 2HG2 ILE 11 HG22 ILE 11 5.598 9.600 9.023 99 3HG2 ILE 11 HG23 ILE 11 4.229 10.528 8.415 100 1HD1 ILE 11 HD11 ILE 11 4.011 9.615 5.665 101 2HD1 ILE 11 HD12 ILE 11 3.013 10.740 6.580 102 3HD1 ILE 11 HD13 ILE 11 2.274 9.686 5.375 103 H ASP 12 HN ASP 12 5.809 5.945 9.213 104 HA ASP 12 HA ASP 12 8.297 7.371 9.675 105 1HB ASP 12 HB2 ASP 12 7.247 4.719 10.706 106 2HB ASP 12 HB1 ASP 12 8.773 5.433 11.227 107 H VAL 13 HN VAL 13 7.498 4.133 8.386 108 HA VAL 13 HA VAL 13 10.247 3.665 7.577 109 HB VAL 13 HB VAL 13 7.805 2.208 6.521 110 1HG1 VAL 13 HG11 VAL 13 10.666 1.342 7.012 111 2HG1 VAL 13 HG12 VAL 13 9.997 1.772 5.440 112 3HG1 VAL 13 HG13 VAL 13 9.389 0.357 6.300 113 1HG2 VAL 13 HG21 VAL 13 7.571 2.166 8.914 114 2HG2 VAL 13 HG22 VAL 13 9.298 1.899 9.139 115 3HG2 VAL 13 HG23 VAL 13 8.291 0.623 8.455 116 H PHE 14 HN PHE 14 7.422 5.150 6.104 117 HA PHE 14 HA PHE 14 8.413 4.952 3.387 118 1HB PHE 14 HB2 PHE 14 6.174 6.275 4.788 119 2HB PHE 14 HB1 PHE 14 6.735 7.168 3.382 120 HD1 PHE 14 HD1 PHE 14 6.627 3.474 3.997 121 HD2 PHE 14 HD2 PHE 14 5.109 6.790 1.722 122 HE1 PHE 14 HE1 PHE 14 5.401 1.903 2.520 123 HE2 PHE 14 HE2 PHE 14 3.885 5.218 0.248 124 HZ PHE 14 HZ PHE 14 4.031 2.775 0.647 125 H HIS 15 HN HIS 15 8.477 7.627 5.776 126 HA HIS 15 HA HIS 15 10.060 9.283 3.996 127 1HB HIS 15 HB2 HIS 15 8.530 9.727 6.288 128 2HB HIS 15 HB1 HIS 15 10.166 10.013 6.861 129 HD1 HIS 15 HD1 HIS 15 8.053 12.297 6.518 130 HD2 HIS 15 HD2 HIS 15 10.981 11.364 3.704 131 HE1 HIS 15 HE1 HIS 15 8.352 14.361 5.084 132 H GLN 16 HN GLN 16 10.803 7.047 6.629 133 HA GLN 16 HA GLN 16 13.527 7.894 6.992 134 1HB GLN 16 HB2 GLN 16 12.067 5.317 7.595 135 2HB GLN 16 HB1 GLN 16 13.779 5.535 7.964 136 1HG GLN 16 HG2 GLN 16 13.329 7.348 9.452 137 2HG GLN 16 HG1 GLN 16 11.663 7.484 8.891 138 1HE2 GLN 16 HE21 GLN 16 13.065 4.294 9.419 139 2HE2 GLN 16 HE22 GLN 16 12.178 3.934 10.821 140 H TYR 17 HN TYR 17 12.067 5.395 4.910 141 HA TYR 17 HA TYR 17 14.725 4.700 3.828 142 1HB TYR 17 HB2 TYR 17 11.927 3.663 3.397 143 2HB TYR 17 HB1 TYR 17 13.223 3.228 2.280 144 HD1 TYR 17 HD1 TYR 17 14.983 1.723 2.921 145 HD2 TYR 17 HD2 TYR 17 12.120 3.077 5.821 146 HE1 TYR 17 HE1 TYR 17 15.831 0.048 4.540 147 HE2 TYR 17 HE2 TYR 17 12.966 1.399 7.439 148 HH TYR 17 HH TYR 17 15.832 -0.078 7.217 149 H SER 18 HN SER 18 11.667 5.893 2.362 150 HA SER 18 HA SER 18 12.715 6.514 -0.158 151 1HB SER 18 HB2 SER 18 10.805 8.371 1.269 152 2HB SER 18 HB1 SER 18 10.882 7.994 -0.451 153 HG SER 18 HG SER 18 9.429 6.556 0.047 154 H GLY 19 HN GLY 19 13.227 8.113 2.906 155 1HA GLY 19 HA2 GLY 19 14.662 10.374 1.587 156 2HA GLY 19 HA1 GLY 19 14.158 10.327 3.274 157 H ARG 20 HN ARG 20 15.489 7.319 2.567 158 HA ARG 20 HA ARG 20 17.755 7.689 4.251 159 1HB ARG 20 HB2 ARG 20 16.852 5.466 3.771 160 2HB ARG 20 HB1 ARG 20 17.273 5.627 2.072 161 1HG ARG 20 HG2 ARG 20 19.703 5.841 2.813 162 2HG ARG 20 HG1 ARG 20 19.162 5.419 4.437 163 1HD ARG 20 HD2 ARG 20 18.138 3.331 3.461 164 2HD ARG 20 HD1 ARG 20 18.910 3.739 1.926 165 HE ARG 20 HE ARG 20 20.793 3.682 4.148 166 1HH1 ARG 20 HH21 ARG 20 19.039 1.859 1.808 167 2HH1 ARG 20 HH22 ARG 20 20.198 0.574 1.744 168 1HH2 ARG 20 HH11 ARG 20 22.320 2.016 4.077 169 2HH2 ARG 20 HH12 ARG 20 22.057 0.664 3.028 170 H GLU 21 HN GLU 21 17.415 7.778 0.737 171 HA GLU 21 HA GLU 21 19.611 9.645 0.481 172 1HB GLU 21 HB2 GLU 21 21.202 8.218 -0.712 173 2HB GLU 21 HB1 GLU 21 20.900 7.574 0.901 174 1HG GLU 21 HG2 GLU 21 19.001 6.185 -0.396 175 2HG GLU 21 HG1 GLU 21 20.072 6.480 -1.769 176 H GLY 22 HN GLY 22 20.147 9.954 -1.951 177 1HA GLY 22 HA2 GLY 22 19.428 10.039 -4.221 178 2HA GLY 22 HA1 GLY 22 18.024 9.062 -3.791 179 H ASP 23 HN ASP 23 16.184 10.203 -4.115 180 HA ASP 23 HA ASP 23 16.200 13.128 -4.057 181 1HB ASP 23 HB2 ASP 23 13.759 11.358 -4.244 182 2HB ASP 23 HB1 ASP 23 13.964 12.997 -4.858 183 H LYS 24 HN LYS 24 13.779 13.776 -2.914 184 HA LYS 24 HA LYS 24 14.426 13.475 -0.054 185 1HB LYS 24 HB2 LYS 24 13.873 15.696 -0.984 186 2HB LYS 24 HB1 LYS 24 12.283 15.105 -1.453 187 1HG LYS 24 HG2 LYS 24 12.207 16.385 0.669 188 2HG LYS 24 HG1 LYS 24 11.699 14.715 0.898 189 1HD LYS 24 HD2 LYS 24 13.658 14.130 2.042 190 2HD LYS 24 HD1 LYS 24 14.594 15.438 1.317 191 1HE LYS 24 HE2 LYS 24 14.020 15.795 3.751 192 2HE LYS 24 HE1 LYS 24 13.476 17.087 2.682 193 1HZ LYS 24 HZ1 LYS 24 11.302 15.869 2.578 194 2HZ LYS 24 HZ2 LYS 24 11.673 16.571 4.080 195 3HZ LYS 24 HZ3 LYS 24 11.860 14.899 3.853 196 H HIS 25 HN HIS 25 12.286 11.989 -2.315 197 HA HIS 25 HA HIS 25 11.171 10.337 -0.201 198 1HB HIS 25 HB2 HIS 25 9.875 12.631 -0.242 199 2HB HIS 25 HB1 HIS 25 9.081 11.947 -1.657 200 HD2 HIS 25 HD2 HIS 25 7.599 9.489 -1.080 201 HE1 HIS 25 HE1 HIS 25 7.480 10.191 3.083 202 HE2 HIS 25 HE2 HIS 25 6.526 8.796 1.192 203 H LYS 26 HN LYS 26 12.411 9.115 -2.008 204 HA LYS 26 HA LYS 26 10.347 7.911 -3.764 205 1HB LYS 26 HB2 LYS 26 12.895 9.234 -4.688 206 2HB LYS 26 HB1 LYS 26 12.307 7.813 -5.550 207 1HG LYS 26 HG2 LYS 26 10.189 8.886 -6.013 208 2HG LYS 26 HG1 LYS 26 10.604 10.257 -4.985 209 1HD LYS 26 HD2 LYS 26 10.912 10.744 -7.414 210 2HD LYS 26 HD1 LYS 26 12.407 10.897 -6.494 211 1HE LYS 26 HE2 LYS 26 13.314 8.933 -7.383 212 2HE LYS 26 HE1 LYS 26 11.733 8.264 -7.789 213 1HZ LYS 26 HZ1 LYS 26 13.027 10.583 -9.120 214 2HZ LYS 26 HZ2 LYS 26 11.497 9.949 -9.503 215 3HZ LYS 26 HZ3 LYS 26 12.895 9.019 -9.761 216 H LEU 27 HN LEU 27 10.840 5.696 -4.212 217 HA LEU 27 HA LEU 27 12.757 4.526 -2.270 218 1HB LEU 27 HB2 LEU 27 10.243 3.839 -2.637 219 2HB LEU 27 HB1 LEU 27 10.878 2.916 -3.990 220 HG LEU 27 HG LEU 27 12.060 2.643 -1.206 221 1HD1 LEU 27 HD11 LEU 27 9.827 2.060 -0.805 222 2HD1 LEU 27 HD12 LEU 27 10.597 0.518 -1.159 223 3HD1 LEU 27 HD13 LEU 27 9.630 1.325 -2.396 224 1HD2 LEU 27 HD21 LEU 27 11.991 0.884 -3.682 225 2HD2 LEU 27 HD22 LEU 27 12.665 0.391 -2.129 226 3HD2 LEU 27 HD23 LEU 27 13.393 1.712 -3.025 227 H LYS 28 HN LYS 28 14.666 3.843 -2.896 228 HA LYS 28 HA LYS 28 15.164 3.175 -5.791 229 1HB LYS 28 HB2 LYS 28 17.683 3.490 -4.574 230 2HB LYS 28 HB1 LYS 28 16.875 4.675 -5.599 231 1HG LYS 28 HG2 LYS 28 15.929 5.802 -3.722 232 2HG LYS 28 HG1 LYS 28 16.355 4.486 -2.629 233 1HD LYS 28 HD2 LYS 28 17.884 6.409 -2.418 234 2HD LYS 28 HD1 LYS 28 18.723 4.944 -2.933 235 1HE LYS 28 HE2 LYS 28 19.273 7.135 -4.181 236 2HE LYS 28 HE1 LYS 28 18.920 5.714 -5.161 237 1HZ LYS 28 HZ1 LYS 28 16.718 6.471 -5.531 238 2HZ LYS 28 HZ2 LYS 28 17.745 7.786 -5.849 239 3HZ LYS 28 HZ3 LYS 28 16.873 7.718 -4.392 240 H LYS 29 HN LYS 29 16.594 1.295 -6.153 241 HA LYS 29 HA LYS 29 15.849 -1.008 -4.768 242 1HB LYS 29 HB2 LYS 29 18.586 -0.602 -6.005 243 2HB LYS 29 HB1 LYS 29 17.731 -2.130 -5.788 244 1HG LYS 29 HG2 LYS 29 15.848 -0.982 -7.221 245 2HG LYS 29 HG1 LYS 29 17.145 0.108 -7.717 246 1HD LYS 29 HD2 LYS 29 18.438 -2.210 -8.133 247 2HD LYS 29 HD1 LYS 29 16.789 -2.819 -8.291 248 1HE LYS 29 HE2 LYS 29 18.217 -0.775 -9.977 249 2HE LYS 29 HE1 LYS 29 17.305 -2.195 -10.489 250 1HZ LYS 29 HZ1 LYS 29 15.509 -0.941 -10.666 251 2HZ LYS 29 HZ2 LYS 29 16.392 0.429 -10.185 252 3HZ LYS 29 HZ3 LYS 29 15.601 -0.527 -9.023 253 H SER 30 HN SER 30 18.703 1.041 -4.108 254 HA SER 30 HA SER 30 19.861 -0.442 -2.026 255 1HB SER 30 HB2 SER 30 19.607 2.530 -2.481 256 2HB SER 30 HB1 SER 30 20.438 1.904 -1.059 257 HG SER 30 HG SER 30 21.802 2.272 -2.922 258 H GLU 31 HN GLU 31 16.825 1.063 -2.152 259 HA GLU 31 HA GLU 31 16.468 0.925 0.830 260 1HB GLU 31 HB2 GLU 31 14.796 2.277 -1.295 261 2HB GLU 31 HB1 GLU 31 14.342 2.169 0.401 262 1HG GLU 31 HG2 GLU 31 16.322 3.398 1.067 263 2HG GLU 31 HG1 GLU 31 16.933 3.384 -0.589 264 H LEU 32 HN LEU 32 15.121 -0.258 -2.226 265 HA LEU 32 HA LEU 32 13.057 -1.793 -0.959 266 1HB LEU 32 HB2 LEU 32 13.655 -1.182 -3.562 267 2HB LEU 32 HB1 LEU 32 14.196 -2.856 -3.505 268 HG LEU 32 HG LEU 32 11.443 -1.899 -2.652 269 1HD1 LEU 32 HD11 LEU 32 12.155 -3.524 -5.100 270 2HD1 LEU 32 HD12 LEU 32 12.017 -1.768 -5.144 271 3HD1 LEU 32 HD13 LEU 32 10.617 -2.752 -4.720 272 1HD2 LEU 32 HD21 LEU 32 11.991 -3.896 -1.458 273 2HD2 LEU 32 HD22 LEU 32 12.751 -4.617 -2.877 274 3HD2 LEU 32 HD23 LEU 32 11.001 -4.412 -2.822 275 H LYS 33 HN LYS 33 16.309 -2.726 -2.093 276 HA LYS 33 HA LYS 33 16.080 -5.404 -1.032 277 1HB LYS 33 HB2 LYS 33 17.710 -5.035 -2.745 278 2HB LYS 33 HB1 LYS 33 18.419 -3.678 -1.882 279 1HG LYS 33 HG2 LYS 33 18.416 -6.273 -0.394 280 2HG LYS 33 HG1 LYS 33 19.457 -6.221 -1.815 281 1HD LYS 33 HD2 LYS 33 20.810 -4.526 -0.942 282 2HD LYS 33 HD1 LYS 33 19.555 -3.935 0.145 283 1HE LYS 33 HE2 LYS 33 21.490 -5.225 1.225 284 2HE LYS 33 HE1 LYS 33 19.860 -5.739 1.655 285 1HZ LYS 33 HZ1 LYS 33 20.878 -7.719 1.134 286 2HZ LYS 33 HZ2 LYS 33 21.814 -7.047 -0.114 287 3HZ LYS 33 HZ3 LYS 33 20.153 -7.322 -0.346 288 H GLU 34 HN GLU 34 17.280 -2.340 0.218 289 HA GLU 34 HA GLU 34 18.250 -3.531 2.709 290 1HB GLU 34 HB2 GLU 34 19.172 -1.403 1.764 291 2HB GLU 34 HB1 GLU 34 17.643 -0.614 2.158 292 1HG GLU 34 HG2 GLU 34 19.208 -0.177 3.955 293 2HG GLU 34 HG1 GLU 34 17.990 -1.301 4.554 294 H LEU 35 HN LEU 35 15.258 -2.067 1.630 295 HA LEU 35 HA LEU 35 14.083 -1.761 4.256 296 1HB LEU 35 HB2 LEU 35 13.145 -0.511 2.407 297 2HB LEU 35 HB1 LEU 35 12.912 -1.985 1.468 298 HG LEU 35 HG LEU 35 11.201 -2.778 3.005 299 1HD1 LEU 35 HD11 LEU 35 10.433 -1.146 4.823 300 2HD1 LEU 35 HD12 LEU 35 11.980 -0.329 4.595 301 3HD1 LEU 35 HD13 LEU 35 11.937 -2.006 5.133 302 1HD2 LEU 35 HD21 LEU 35 9.507 -1.048 2.623 303 2HD2 LEU 35 HD22 LEU 35 10.535 -1.228 1.200 304 3HD2 LEU 35 HD23 LEU 35 10.774 0.136 2.294 305 H ILE 36 HN ILE 36 14.157 -4.288 1.811 306 HA ILE 36 HA ILE 36 12.274 -6.013 3.103 307 HB ILE 36 HB ILE 36 14.428 -6.493 1.040 308 1HG1 ILE 36 HG12 ILE 36 11.417 -6.597 0.797 309 2HG1 ILE 36 HG11 ILE 36 12.334 -5.115 0.538 310 1HG2 ILE 36 HG21 ILE 36 12.403 -8.413 2.214 311 2HG2 ILE 36 HG22 ILE 36 14.154 -8.612 2.140 312 3HG2 ILE 36 HG23 ILE 36 13.196 -8.680 0.662 313 1HD1 ILE 36 HD11 ILE 36 11.863 -6.405 -1.575 314 2HD1 ILE 36 HD12 ILE 36 12.874 -7.703 -0.942 315 3HD1 ILE 36 HD13 ILE 36 13.577 -6.120 -1.277 316 H ASN 37 HN ASN 37 15.791 -5.732 3.223 317 HA ASN 37 HA ASN 37 16.091 -8.040 4.977 318 1HB ASN 37 HB2 ASN 37 18.002 -5.823 4.202 319 2HB ASN 37 HB1 ASN 37 18.453 -7.240 5.153 320 1HD2 ASN 37 HD21 ASN 37 16.012 -7.994 2.880 321 2HD2 ASN 37 HD22 ASN 37 17.006 -8.675 1.685 322 H ASN 38 HN ASN 38 15.498 -4.639 5.460 323 HA ASN 38 HA ASN 38 16.357 -4.774 8.299 324 1HB ASN 38 HB2 ASN 38 15.466 -2.538 6.487 325 2HB ASN 38 HB1 ASN 38 15.655 -2.297 8.225 326 1HD2 ASN 38 HD21 ASN 38 17.845 -4.673 7.267 327 2HD2 ASN 38 HD22 ASN 38 19.214 -3.692 7.050 328 H GLU 39 HN GLU 39 13.342 -4.949 6.541 329 HA GLU 39 HA GLU 39 11.895 -4.821 9.188 330 1HB GLU 39 HB2 GLU 39 11.048 -3.652 6.528 331 2HB GLU 39 HB1 GLU 39 9.960 -3.847 7.903 332 1HG GLU 39 HG2 GLU 39 12.582 -2.342 8.073 333 2HG GLU 39 HG1 GLU 39 11.044 -1.557 7.716 334 H LEU 40 HN LEU 40 11.478 -5.879 5.784 335 HA LEU 40 HA LEU 40 9.654 -8.026 6.694 336 1HB LEU 40 HB2 LEU 40 10.692 -7.379 3.925 337 2HB LEU 40 HB1 LEU 40 9.471 -8.573 4.305 338 HG LEU 40 HG LEU 40 8.455 -6.477 3.497 339 1HD1 LEU 40 HD11 LEU 40 6.717 -6.429 5.058 340 2HD1 LEU 40 HD12 LEU 40 7.799 -6.654 6.430 341 3HD1 LEU 40 HD13 LEU 40 7.446 -8.006 5.352 342 1HD2 LEU 40 HD21 LEU 40 10.362 -5.067 4.658 343 2HD2 LEU 40 HD22 LEU 40 9.242 -5.047 6.023 344 3HD2 LEU 40 HD23 LEU 40 8.750 -4.393 4.461 345 H SER 41 HN SER 41 12.484 -8.031 7.615 346 HA SER 41 HA SER 41 13.729 -10.228 6.117 347 1HB SER 41 HB2 SER 41 15.277 -10.086 8.265 348 2HB SER 41 HB1 SER 41 15.362 -8.840 7.030 349 HG SER 41 HG SER 41 14.620 -7.463 8.423 350 H HIS 42 HN HIS 42 11.515 -9.812 8.733 351 HA HIS 42 HA HIS 42 12.034 -12.471 9.894 352 1HB HIS 42 HB2 HIS 42 11.323 -10.614 11.363 353 2HB HIS 42 HB1 HIS 42 9.835 -10.444 10.431 354 HD1 HIS 42 HD1 HIS 42 11.651 -13.032 12.556 355 HD2 HIS 42 HD2 HIS 42 7.792 -12.146 11.244 356 HE1 HIS 42 HE1 HIS 42 10.102 -14.657 13.732 357 HE2 HIS 42 HE2 HIS 42 7.752 -14.126 12.940 358 H PHE 43 HN PHE 43 10.079 -10.976 7.481 359 HA PHE 43 HA PHE 43 8.364 -13.422 7.234 360 1HB PHE 43 HB2 PHE 43 8.010 -10.533 6.425 361 2HB PHE 43 HB1 PHE 43 7.100 -11.799 5.601 362 HD1 PHE 43 HD1 PHE 43 5.998 -13.597 7.236 363 HD2 PHE 43 HD2 PHE 43 7.041 -9.580 8.344 364 HE1 PHE 43 HE1 PHE 43 4.390 -13.700 9.119 365 HE2 PHE 43 HE2 PHE 43 5.431 -9.682 10.227 366 HZ PHE 43 HZ PHE 43 4.106 -11.743 10.616 367 H LEU 44 HN LEU 44 10.237 -11.069 5.265 368 HA LEU 44 HA LEU 44 10.431 -13.139 3.131 369 1HB LEU 44 HB2 LEU 44 10.664 -10.156 3.153 370 2HB LEU 44 HB1 LEU 44 11.554 -11.044 1.925 371 HG LEU 44 HG LEU 44 9.506 -12.100 1.136 372 1HD1 LEU 44 HD11 LEU 44 7.307 -11.369 2.107 373 2HD1 LEU 44 HD12 LEU 44 8.194 -10.581 3.409 374 3HD1 LEU 44 HD13 LEU 44 8.274 -12.330 3.215 375 1HD2 LEU 44 HD21 LEU 44 10.176 -9.698 0.457 376 2HD2 LEU 44 HD22 LEU 44 8.854 -9.170 1.497 377 3HD2 LEU 44 HD23 LEU 44 8.523 -10.202 0.105 378 H GLU 45 HN GLU 45 12.321 -14.190 2.773 379 HA GLU 45 HA GLU 45 14.479 -14.093 4.597 380 1HB GLU 45 HB2 GLU 45 14.037 -15.964 2.998 381 2HB GLU 45 HB1 GLU 45 14.606 -14.933 1.684 382 1HG GLU 45 HG2 GLU 45 16.814 -14.798 2.644 383 2HG GLU 45 HG1 GLU 45 16.275 -15.592 4.125 384 H GLU 46 HN GLU 46 16.498 -13.038 4.536 385 HA GLU 46 HA GLU 46 16.569 -10.416 3.401 386 1HB GLU 46 HB2 GLU 46 18.861 -12.168 4.342 387 2HB GLU 46 HB1 GLU 46 18.965 -10.435 4.039 388 1HG GLU 46 HG2 GLU 46 18.628 -10.636 6.379 389 2HG GLU 46 HG1 GLU 46 17.055 -10.180 5.724 390 H ILE 47 HN ILE 47 16.505 -10.180 1.167 391 HA ILE 47 HA ILE 47 17.693 -12.112 -0.616 392 HB ILE 47 HB ILE 47 17.090 -10.663 -2.397 393 1HG1 ILE 47 HG12 ILE 47 17.209 -8.441 -0.334 394 2HG1 ILE 47 HG11 ILE 47 18.188 -8.612 -1.789 395 1HG2 ILE 47 HG21 ILE 47 15.205 -11.527 -0.900 396 2HG2 ILE 47 HG22 ILE 47 14.806 -10.172 -1.957 397 3HG2 ILE 47 HG23 ILE 47 15.117 -9.893 -0.242 398 1HD1 ILE 47 HD11 ILE 47 15.788 -8.571 -2.973 399 2HD1 ILE 47 HD12 ILE 47 16.643 -7.088 -2.562 400 3HD1 ILE 47 HD13 ILE 47 15.364 -7.683 -1.508 401 H LYS 48 HN LYS 48 19.807 -12.322 -1.144 402 HA LYS 48 HA LYS 48 21.703 -10.175 -0.287 403 1HB LYS 48 HB2 LYS 48 22.071 -13.099 -0.997 404 2HB LYS 48 HB1 LYS 48 23.421 -11.997 -0.727 405 1HG LYS 48 HG2 LYS 48 22.595 -11.514 1.543 406 2HG LYS 48 HG1 LYS 48 21.216 -12.582 1.278 407 1HD LYS 48 HD2 LYS 48 22.803 -14.472 0.888 408 2HD LYS 48 HD1 LYS 48 24.140 -13.391 1.285 409 1HE LYS 48 HE2 LYS 48 23.464 -14.732 3.249 410 2HE LYS 48 HE1 LYS 48 23.181 -13.013 3.523 411 1HZ LYS 48 HZ1 LYS 48 21.342 -14.939 3.873 412 2HZ LYS 48 HZ2 LYS 48 20.972 -14.410 2.301 413 3HZ LYS 48 HZ3 LYS 48 20.980 -13.305 3.592 414 H GLU 49 HN GLU 49 20.150 -11.474 -3.001 415 HA GLU 49 HA GLU 49 22.113 -10.178 -4.872 416 1HB GLU 49 HB2 GLU 49 20.215 -12.489 -5.406 417 2HB GLU 49 HB1 GLU 49 21.309 -11.762 -6.583 418 1HG GLU 49 HG2 GLU 49 23.211 -12.332 -4.992 419 2HG GLU 49 HG1 GLU 49 22.047 -13.290 -4.077 420 H GLN 50 HN GLN 50 21.286 -8.344 -5.724 421 HA GLN 50 HA GLN 50 18.615 -7.464 -5.334 422 1HB GLN 50 HB2 GLN 50 19.184 -5.818 -7.199 423 2HB GLN 50 HB1 GLN 50 20.292 -5.827 -5.829 424 1HG GLN 50 HG2 GLN 50 21.847 -7.263 -7.055 425 2HG GLN 50 HG1 GLN 50 20.723 -7.356 -8.412 426 1HE2 GLN 50 HE21 GLN 50 23.272 -5.483 -7.015 427 2HE2 GLN 50 HE22 GLN 50 23.181 -4.166 -8.081 428 H GLU 51 HN GLU 51 19.928 -9.651 -7.680 429 HA GLU 51 HA GLU 51 18.416 -9.395 -9.918 430 1HB GLU 51 HB2 GLU 51 18.913 -11.983 -8.436 431 2HB GLU 51 HB1 GLU 51 18.437 -11.863 -10.130 432 1HG GLU 51 HG2 GLU 51 20.500 -10.408 -10.477 433 2HG GLU 51 HG1 GLU 51 21.008 -10.896 -8.860 434 H VAL 52 HN VAL 52 17.184 -10.756 -6.871 435 HA VAL 52 HA VAL 52 14.574 -11.232 -8.079 436 HB VAL 52 HB VAL 52 15.102 -12.647 -6.223 437 1HG1 VAL 52 HG11 VAL 52 15.605 -11.587 -3.957 438 2HG1 VAL 52 HG12 VAL 52 15.836 -10.070 -4.823 439 3HG1 VAL 52 HG13 VAL 52 16.876 -11.450 -5.172 440 1HG2 VAL 52 HG21 VAL 52 13.340 -10.557 -4.934 441 2HG2 VAL 52 HG22 VAL 52 13.253 -12.312 -4.781 442 3HG2 VAL 52 HG23 VAL 52 12.766 -11.535 -6.286 443 H VAL 53 HN VAL 53 16.114 -8.679 -6.196 444 HA VAL 53 HA VAL 53 13.683 -7.195 -5.853 445 HB VAL 53 HB VAL 53 16.266 -6.936 -4.885 446 1HG1 VAL 53 HG11 VAL 53 16.859 -5.759 -7.092 447 2HG1 VAL 53 HG12 VAL 53 17.249 -4.891 -5.612 448 3HG1 VAL 53 HG13 VAL 53 15.822 -4.446 -6.546 449 1HG2 VAL 53 HG21 VAL 53 15.437 -4.816 -3.836 450 2HG2 VAL 53 HG22 VAL 53 14.304 -6.161 -3.706 451 3HG2 VAL 53 HG23 VAL 53 14.034 -4.892 -4.901 452 H ASP 54 HN ASP 54 15.847 -7.767 -8.440 453 HA ASP 54 HA ASP 54 14.983 -5.479 -10.060 454 1HB ASP 54 HB2 ASP 54 17.211 -6.504 -10.413 455 2HB ASP 54 HB1 ASP 54 16.438 -8.028 -10.845 456 H LYS 55 HN LYS 55 14.187 -8.894 -9.665 457 HA LYS 55 HA LYS 55 12.321 -8.944 -11.906 458 1HB LYS 55 HB2 LYS 55 13.315 -11.030 -11.173 459 2HB LYS 55 HB1 LYS 55 12.696 -10.806 -9.540 460 1HG LYS 55 HG2 LYS 55 10.615 -10.724 -11.677 461 2HG LYS 55 HG1 LYS 55 11.414 -12.283 -11.492 462 1HD LYS 55 HD2 LYS 55 10.668 -12.563 -9.288 463 2HD LYS 55 HD1 LYS 55 10.400 -10.841 -9.049 464 1HE LYS 55 HE2 LYS 55 8.255 -12.030 -9.278 465 2HE LYS 55 HE1 LYS 55 8.496 -10.917 -10.624 466 1HZ LYS 55 HZ1 LYS 55 9.513 -12.928 -11.792 467 2HZ LYS 55 HZ2 LYS 55 7.822 -12.879 -11.630 468 3HZ LYS 55 HZ3 LYS 55 8.750 -13.857 -10.596 469 H VAL 56 HN VAL 56 11.871 -8.928 -8.357 470 HA VAL 56 HA VAL 56 9.052 -8.645 -8.395 471 HB VAL 56 HB VAL 56 10.630 -8.950 -6.344 472 1HG1 VAL 56 HG11 VAL 56 11.437 -7.038 -5.240 473 2HG1 VAL 56 HG12 VAL 56 10.387 -5.949 -6.147 474 3HG1 VAL 56 HG13 VAL 56 11.778 -6.688 -6.932 475 1HG2 VAL 56 HG21 VAL 56 8.294 -8.922 -5.951 476 2HG2 VAL 56 HG22 VAL 56 8.152 -7.224 -6.409 477 3HG2 VAL 56 HG23 VAL 56 8.924 -7.665 -4.891 478 H MET 57 HN MET 57 11.634 -6.277 -8.707 479 HA MET 57 HA MET 57 10.023 -3.923 -8.745 480 1HB MET 57 HB2 MET 57 12.428 -3.738 -8.560 481 2HB MET 57 HB1 MET 57 12.662 -4.596 -10.081 482 1HG MET 57 HG2 MET 57 11.843 -2.787 -11.363 483 2HG MET 57 HG1 MET 57 11.112 -2.009 -9.960 484 1HE MET 57 HE1 MET 57 13.749 -0.170 -8.174 485 2HE MET 57 HE2 MET 57 13.327 -1.796 -7.641 486 3HE MET 57 HE3 MET 57 12.083 -0.738 -8.315 487 H GLU 58 HN GLU 58 10.544 -6.451 -11.068 488 HA GLU 58 HA GLU 58 9.598 -4.963 -13.379 489 1HB GLU 58 HB2 GLU 58 11.014 -7.112 -13.401 490 2HB GLU 58 HB1 GLU 58 9.521 -7.969 -13.020 491 1HG GLU 58 HG2 GLU 58 9.758 -6.098 -15.381 492 2HG GLU 58 HG1 GLU 58 10.102 -7.821 -15.491 493 H THR 59 HN THR 59 8.191 -7.083 -10.967 494 HA THR 59 HA THR 59 5.562 -7.114 -12.215 495 HB THR 59 HB THR 59 6.394 -7.835 -9.390 496 HG1 THR 59 HG1 THR 59 7.313 -9.048 -11.189 497 1HG2 THR 59 HG21 THR 59 4.038 -7.439 -9.413 498 2HG2 THR 59 HG22 THR 59 4.238 -9.186 -9.539 499 3HG2 THR 59 HG23 THR 59 3.855 -8.237 -10.974 500 H LEU 60 HN LEU 60 7.197 -5.171 -9.768 501 HA LEU 60 HA LEU 60 4.660 -3.772 -9.123 502 1HB LEU 60 HB2 LEU 60 7.442 -3.775 -8.001 503 2HB LEU 60 HB1 LEU 60 6.433 -2.362 -7.704 504 HG LEU 60 HG LEU 60 6.266 -4.075 -5.909 505 1HD1 LEU 60 HD11 LEU 60 4.244 -2.560 -6.931 506 2HD1 LEU 60 HD12 LEU 60 4.042 -3.615 -5.537 507 3HD1 LEU 60 HD13 LEU 60 3.538 -4.165 -7.132 508 1HD2 LEU 60 HD21 LEU 60 4.819 -5.794 -7.931 509 2HD2 LEU 60 HD22 LEU 60 5.349 -6.236 -6.308 510 3HD2 LEU 60 HD23 LEU 60 6.537 -5.998 -7.588 511 H ASP 61 HN ASP 61 7.835 -2.912 -10.635 512 HA ASP 61 HA ASP 61 7.222 -0.195 -11.113 513 1HB ASP 61 HB2 ASP 61 9.431 -1.301 -11.436 514 2HB ASP 61 HB1 ASP 61 8.795 -2.056 -12.898 515 H GLU 62 HN GLU 62 5.221 0.214 -11.789 516 HA GLU 62 HA GLU 62 4.091 -1.197 -14.132 517 1HB GLU 62 HB2 GLU 62 3.014 0.831 -12.168 518 2HB GLU 62 HB1 GLU 62 2.139 0.446 -13.651 519 1HG GLU 62 HG2 GLU 62 3.071 -1.699 -11.735 520 2HG GLU 62 HG1 GLU 62 1.502 -0.912 -11.571 521 H ASP 63 HN ASP 63 5.280 1.987 -13.195 522 HA ASP 63 HA ASP 63 4.695 3.123 -15.832 523 1HB ASP 63 HB2 ASP 63 5.989 5.078 -14.969 524 2HB ASP 63 HB1 ASP 63 4.687 4.602 -13.879 525 H GLY 64 HN GLY 64 6.975 0.972 -14.631 526 1HA GLY 64 HA2 GLY 64 8.960 0.152 -15.616 527 2HA GLY 64 HA1 GLY 64 8.546 1.090 -17.050 528 H ASP 65 HN ASP 65 9.150 2.170 -13.704 529 HA ASP 65 HA ASP 65 11.081 4.170 -14.799 530 1HB ASP 65 HB2 ASP 65 10.850 5.165 -12.483 531 2HB ASP 65 HB1 ASP 65 9.356 5.132 -13.420 532 H GLY 66 HN GLY 66 11.119 1.124 -13.365 533 1HA GLY 66 HA2 GLY 66 12.944 -0.119 -12.516 534 2HA GLY 66 HA1 GLY 66 13.992 1.234 -12.960 535 H GLU 67 HN GLU 67 11.533 2.520 -11.267 536 HA GLU 67 HA GLU 67 12.839 2.174 -8.592 537 1HB GLU 67 HB2 GLU 67 11.863 4.727 -9.918 538 2HB GLU 67 HB1 GLU 67 12.243 4.604 -8.200 539 1HG GLU 67 HG2 GLU 67 14.543 3.956 -8.719 540 2HG GLU 67 HG1 GLU 67 14.180 3.969 -10.446 541 H CYS 68 HN CYS 68 11.166 3.038 -6.872 542 HA CYS 68 HA CYS 68 8.396 2.238 -7.723 543 1HB CYS 68 HB2 CYS 68 10.089 1.283 -5.447 544 2HB CYS 68 HB1 CYS 68 8.349 1.414 -5.188 545 HG CYS 68 HG CYS 68 8.216 -0.759 -6.360 546 H ASP 69 HN ASP 69 7.666 4.385 -7.865 547 HA ASP 69 HA ASP 69 8.119 6.502 -6.102 548 1HB ASP 69 HB2 ASP 69 5.730 7.221 -6.725 549 2HB ASP 69 HB1 ASP 69 6.850 6.964 -8.063 550 H PHE 70 HN PHE 70 5.856 7.311 -4.762 551 HA PHE 70 HA PHE 70 5.878 5.516 -2.479 552 1HB PHE 70 HB2 PHE 70 4.010 7.437 -1.873 553 2HB PHE 70 HB1 PHE 70 5.736 7.616 -1.599 554 HD1 PHE 70 HD1 PHE 70 7.164 8.623 -3.472 555 HD2 PHE 70 HD2 PHE 70 2.878 8.873 -3.401 556 HE1 PHE 70 HE1 PHE 70 7.246 10.513 -5.074 557 HE2 PHE 70 HE2 PHE 70 2.961 10.760 -5.004 558 HZ PHE 70 HZ PHE 70 5.144 11.581 -5.842 559 H GLN 71 HN GLN 71 3.605 6.217 -5.071 560 HA GLN 71 HA GLN 71 1.333 4.982 -3.777 561 1HB GLN 71 HB2 GLN 71 0.959 6.667 -5.496 562 2HB GLN 71 HB1 GLN 71 1.861 5.715 -6.676 563 1HG GLN 71 HG2 GLN 71 0.200 3.999 -6.690 564 2HG GLN 71 HG1 GLN 71 -0.612 4.685 -5.280 565 1HE2 GLN 71 HE21 GLN 71 -1.235 4.337 -8.414 566 2HE2 GLN 71 HE22 GLN 71 -1.965 5.825 -8.782 567 H GLU 72 HN GLU 72 3.820 3.909 -6.051 568 HA GLU 72 HA GLU 72 2.574 1.258 -6.319 569 1HB GLU 72 HB2 GLU 72 3.587 1.966 -8.314 570 2HB GLU 72 HB1 GLU 72 4.966 2.671 -7.480 571 1HG GLU 72 HG2 GLU 72 5.800 0.385 -6.941 572 2HG GLU 72 HG1 GLU 72 4.419 -0.303 -7.802 573 H PHE 73 HN PHE 73 5.303 2.797 -4.689 574 HA PHE 73 HA PHE 73 6.612 0.517 -3.717 575 1HB PHE 73 HB2 PHE 73 7.623 2.624 -3.285 576 2HB PHE 73 HB1 PHE 73 6.155 3.253 -2.555 577 HD1 PHE 73 HD1 PHE 73 7.230 4.005 -0.553 578 HD2 PHE 73 HD2 PHE 73 7.463 -0.129 -1.714 579 HE1 PHE 73 HE1 PHE 73 8.096 3.416 1.683 580 HE2 PHE 73 HE2 PHE 73 8.315 -0.708 0.533 581 HZ PHE 73 HZ PHE 73 8.639 1.074 2.228 582 H MET 74 HN MET 74 3.803 2.238 -2.305 583 HA MET 74 HA MET 74 3.520 0.518 -0.056 584 1HB MET 74 HB2 MET 74 2.159 2.678 -0.763 585 2HB MET 74 HB1 MET 74 1.106 1.518 -1.564 586 1HG MET 74 HG2 MET 74 0.055 1.280 0.445 587 2HG MET 74 HG1 MET 74 1.476 0.407 0.998 588 1HE MET 74 HE1 MET 74 -0.924 2.641 2.045 589 2HE MET 74 HE2 MET 74 -0.138 3.382 3.433 590 3HE MET 74 HE3 MET 74 -0.129 1.628 3.259 591 H ALA 75 HN ALA 75 2.327 0.334 -3.365 592 HA ALA 75 HA ALA 75 0.852 -2.078 -3.177 593 1HB ALA 75 HB1 ALA 75 2.626 -1.637 -5.563 594 2HB ALA 75 HB2 ALA 75 1.338 -0.484 -5.231 595 3HB ALA 75 HB3 ALA 75 0.953 -2.179 -5.507 596 H PHE 76 HN PHE 76 4.261 -1.624 -2.841 597 HA PHE 76 HA PHE 76 4.941 -4.392 -3.471 598 1HB PHE 76 HB2 PHE 76 6.772 -2.824 -3.611 599 2HB PHE 76 HB1 PHE 76 6.498 -2.275 -1.962 600 HD1 PHE 76 HD1 PHE 76 6.823 -5.662 -3.587 601 HD2 PHE 76 HD2 PHE 76 8.171 -2.990 -0.497 602 HE1 PHE 76 HE1 PHE 76 8.311 -7.424 -2.701 603 HE2 PHE 76 HE2 PHE 76 9.672 -4.762 0.369 604 HZ PHE 76 HZ PHE 76 9.738 -6.980 -0.739 605 H VAL 77 HN VAL 77 4.692 -2.635 -0.343 606 HA VAL 77 HA VAL 77 4.962 -4.928 1.309 607 HB VAL 77 HB VAL 77 3.322 -2.404 1.714 608 1HG1 VAL 77 HG11 VAL 77 2.368 -4.071 3.159 609 2HG1 VAL 77 HG12 VAL 77 3.447 -3.101 4.158 610 3HG1 VAL 77 HG13 VAL 77 3.960 -4.691 3.590 611 1HG2 VAL 77 HG21 VAL 77 6.000 -3.310 2.817 612 2HG2 VAL 77 HG22 VAL 77 5.204 -1.778 3.177 613 3HG2 VAL 77 HG23 VAL 77 5.779 -2.112 1.543 614 H SER 78 HN SER 78 2.335 -3.756 -0.618 615 HA SER 78 HA SER 78 0.217 -5.334 0.496 616 1HB SER 78 HB2 SER 78 0.078 -3.345 -1.120 617 2HB SER 78 HB1 SER 78 0.440 -4.493 -2.395 618 HG SER 78 HG SER 78 -1.655 -4.815 -0.503 619 H MET 79 HN MET 79 2.688 -5.865 -1.931 620 HA MET 79 HA MET 79 1.636 -8.410 -2.842 621 1HB MET 79 HB2 MET 79 3.107 -6.906 -4.211 622 2HB MET 79 HB1 MET 79 4.433 -7.274 -3.112 623 1HG MET 79 HG2 MET 79 3.814 -9.787 -3.697 624 2HG MET 79 HG1 MET 79 3.092 -9.051 -5.125 625 1HE MET 79 HE1 MET 79 4.417 -8.412 -7.204 626 2HE MET 79 HE2 MET 79 4.482 -10.123 -6.790 627 3HE MET 79 HE3 MET 79 5.931 -9.310 -7.377 628 H VAL 80 HN VAL 80 3.980 -7.386 -0.413 629 HA VAL 80 HA VAL 80 4.766 -10.166 0.118 630 HB VAL 80 HB VAL 80 6.434 -9.320 1.509 631 1HG1 VAL 80 HG11 VAL 80 6.464 -8.215 -0.816 632 2HG1 VAL 80 HG12 VAL 80 7.467 -7.501 0.446 633 3HG1 VAL 80 HG13 VAL 80 5.931 -6.755 0.018 634 1HG2 VAL 80 HG21 VAL 80 5.156 -8.287 3.234 635 2HG2 VAL 80 HG22 VAL 80 4.526 -7.063 2.140 636 3HG2 VAL 80 HG23 VAL 80 6.218 -7.017 2.627 637 H THR 81 HN THR 81 2.648 -7.650 1.302 638 HA THR 81 HA THR 81 1.938 -9.041 3.749 639 HB THR 81 HB THR 81 0.526 -6.866 2.176 640 HG1 THR 81 HG1 THR 81 1.394 -6.049 4.503 641 1HG2 THR 81 HG21 THR 81 -0.517 -6.569 4.597 642 2HG2 THR 81 HG22 THR 81 -0.174 -8.295 4.720 643 3HG2 THR 81 HG23 THR 81 -1.232 -7.695 3.445 644 H THR 82 HN THR 82 0.726 -8.929 0.384 645 HA THR 82 HA THR 82 -1.649 -10.442 1.031 646 HB THR 82 HB THR 82 -1.692 -10.718 -1.507 647 HG1 THR 82 HG1 THR 82 0.698 -9.310 -1.094 648 1HG2 THR 82 HG21 THR 82 -3.025 -8.960 -0.822 649 2HG2 THR 82 HG22 THR 82 -1.799 -8.053 -1.714 650 3HG2 THR 82 HG23 THR 82 -1.718 -8.150 0.043 651 H ALA 83 HN ALA 83 1.638 -11.395 -0.127 652 HA ALA 83 HA ALA 83 0.910 -14.072 -0.767 653 1HB ALA 83 HB1 ALA 83 3.059 -13.304 -1.484 654 2HB ALA 83 HB2 ALA 83 3.381 -14.511 -0.240 655 3HB ALA 83 HB3 ALA 83 3.497 -12.793 0.146 656 H CYS 84 HN CYS 84 2.093 -12.570 2.253 657 HA CYS 84 HA CYS 84 2.006 -15.038 3.756 658 1HB CYS 84 HB2 CYS 84 2.221 -13.654 5.729 659 2HB CYS 84 HB1 CYS 84 3.235 -12.951 4.470 660 HG CYS 84 HG CYS 84 0.464 -11.786 5.333 661 H HIS 85 HN HIS 85 -0.417 -13.104 2.434 662 HA HIS 85 HA HIS 85 -2.457 -13.911 4.453 663 1HB HIS 85 HB2 HIS 85 -2.296 -11.529 3.462 664 2HB HIS 85 HB1 HIS 85 -2.938 -12.235 1.979 665 HD1 HIS 85 HD1 HIS 85 -3.848 -12.564 5.675 666 HD2 HIS 85 HD2 HIS 85 -5.681 -11.944 1.983 667 HE1 HIS 85 HE1 HIS 85 -6.325 -12.388 6.133 668 H GLU 86 HN GLU 86 -1.603 -14.311 1.026 669 HA GLU 86 HA GLU 86 -3.926 -15.864 0.343 670 1HB GLU 86 HB2 GLU 86 -2.423 -14.756 -1.330 671 2HB GLU 86 HB1 GLU 86 -1.180 -15.946 -0.943 672 1HG GLU 86 HG2 GLU 86 -2.379 -16.678 -2.932 673 2HG GLU 86 HG1 GLU 86 -2.774 -17.760 -1.599 674 H PHE 87 HN PHE 87 -0.587 -16.824 1.165 675 HA PHE 87 HA PHE 87 -0.988 -19.627 1.075 676 1HB PHE 87 HB2 PHE 87 1.232 -18.485 1.377 677 2HB PHE 87 HB1 PHE 87 0.774 -18.136 3.044 678 HD1 PHE 87 HD1 PHE 87 1.289 -20.916 0.609 679 HD2 PHE 87 HD2 PHE 87 0.986 -19.783 4.743 680 HE1 PHE 87 HE1 PHE 87 2.020 -23.186 1.285 681 HE2 PHE 87 HE2 PHE 87 1.717 -22.055 5.418 682 HZ PHE 87 HZ PHE 87 2.235 -23.757 3.690 683 H PHE 88 HN PHE 88 -1.488 -17.318 3.730 684 HA PHE 88 HA PHE 88 -2.261 -19.218 5.712 685 1HB PHE 88 HB2 PHE 88 -1.731 -16.776 6.097 686 2HB PHE 88 HB1 PHE 88 -3.313 -16.392 5.421 687 HD1 PHE 88 HD1 PHE 88 -5.206 -16.376 6.823 688 HD2 PHE 88 HD2 PHE 88 -1.684 -18.511 8.044 689 HE1 PHE 88 HE1 PHE 88 -6.245 -16.830 9.027 690 HE2 PHE 88 HE2 PHE 88 -2.725 -18.965 10.250 691 HZ PHE 88 HZ PHE 88 -5.005 -18.125 10.740 692 H GLU 89 HN GLU 89 -4.000 -17.785 3.023 693 HA GLU 89 HA GLU 89 -6.602 -18.800 3.991 694 1HB GLU 89 HB2 GLU 89 -5.715 -17.234 1.563 695 2HB GLU 89 HB1 GLU 89 -7.348 -17.889 1.693 696 1HG GLU 89 HG2 GLU 89 -7.673 -16.674 3.815 697 2HG GLU 89 HG1 GLU 89 -6.039 -16.019 3.693 698 H HIS 90 HN HIS 90 -3.969 -20.162 2.463 699 HA HIS 90 HA HIS 90 -5.237 -21.700 0.391 700 1HB HIS 90 HB2 HIS 90 -2.782 -21.451 0.540 701 2HB HIS 90 HB1 HIS 90 -2.781 -22.365 2.048 702 HD1 HIS 90 HD1 HIS 90 -1.370 -24.294 0.991 703 HD2 HIS 90 HD2 HIS 90 -5.037 -23.654 -0.894 704 HE1 HIS 90 HE1 HIS 90 -1.763 -26.293 -0.518 705 HE2 HIS 90 HE2 HIS 90 -3.992 -25.913 -1.667 706 H GLU 91 HN GLU 91 -7.079 -22.791 1.023 707 HA GLU 91 HA GLU 91 -7.151 -24.270 3.562 708 1HB GLU 91 HB2 GLU 91 -9.448 -24.876 2.848 709 2HB GLU 91 HB1 GLU 91 -9.181 -23.134 2.772 710 1HG GLU 91 HG2 GLU 91 -8.628 -23.403 0.328 711 2HG GLU 91 HG1 GLU 91 -9.129 -25.088 0.457 712 1H MET 0 HT1 MET 0 8.331 -1.167 18.057 713 2H MET 0 HT2 MET 0 8.756 -0.237 16.699 714 3H MET 0 HT3 MET 0 9.691 -0.154 18.115 715 HA MET 0 HA MET 0 11.015 -1.669 17.207 716 1HB MET 0 HB2 MET 0 8.515 -3.293 17.730 717 2HB MET 0 HB1 MET 0 10.030 -4.032 17.206 718 1HG MET 0 HG2 MET 0 9.859 -2.205 19.612 719 2HG MET 0 HG1 MET 0 9.656 -3.953 19.730 720 1HE MET 0 HE1 MET 0 13.223 -2.973 21.126 721 2HE MET 0 HE2 MET 0 11.519 -3.189 21.521 722 3HE MET 0 HE3 MET 0 12.073 -1.660 20.839 723 H SER 1 HN SER 1 8.766 -3.753 15.742 724 HA SER 1 HA SER 1 9.742 -2.971 13.076 725 1HB SER 1 HB2 SER 1 7.667 -5.089 13.604 726 2HB SER 1 HB1 SER 1 8.845 -5.003 12.296 727 HG SER 1 HG SER 1 9.699 -5.107 14.973 728 H GLU 2 HN GLU 2 8.805 -1.058 12.556 729 HA GLU 2 HA GLU 2 6.083 -0.309 13.041 730 1HB GLU 2 HB2 GLU 2 7.992 0.669 10.902 731 2HB GLU 2 HB1 GLU 2 6.478 1.461 11.346 732 1HG GLU 2 HG2 GLU 2 7.318 1.693 13.678 733 2HG GLU 2 HG1 GLU 2 8.853 0.985 13.175 734 H LEU 3 HN LEU 3 7.598 -2.014 10.326 735 HA LEU 3 HA LEU 3 5.348 -1.856 8.573 736 1HB LEU 3 HB2 LEU 3 7.959 -2.609 8.373 737 2HB LEU 3 HB1 LEU 3 7.198 -4.193 8.406 738 HG LEU 3 HG LEU 3 7.451 -3.448 6.133 739 1HD1 LEU 3 HD11 LEU 3 4.525 -3.092 6.734 740 2HD1 LEU 3 HD12 LEU 3 5.320 -4.649 6.972 741 3HD1 LEU 3 HD13 LEU 3 5.274 -3.919 5.369 742 1HD2 LEU 3 HD21 LEU 3 6.912 -1.374 5.306 743 2HD2 LEU 3 HD22 LEU 3 7.168 -0.898 6.981 744 3HD2 LEU 3 HD23 LEU 3 5.532 -1.172 6.381 745 H GLU 4 HN GLU 4 6.017 -3.921 11.317 746 HA GLU 4 HA GLU 4 4.251 -6.072 10.494 747 1HB GLU 4 HB2 GLU 4 5.398 -5.272 13.173 748 2HB GLU 4 HB1 GLU 4 4.338 -6.665 12.970 749 1HG GLU 4 HG2 GLU 4 5.890 -7.616 11.308 750 2HG GLU 4 HG1 GLU 4 6.959 -6.227 11.508 751 H LYS 5 HN LYS 5 3.838 -3.095 12.371 752 HA LYS 5 HA LYS 5 1.190 -3.725 13.309 753 1HB LYS 5 HB2 LYS 5 2.841 -1.222 13.043 754 2HB LYS 5 HB1 LYS 5 1.117 -1.064 13.382 755 1HG LYS 5 HG2 LYS 5 1.281 -2.151 15.446 756 2HG LYS 5 HG1 LYS 5 2.778 -2.973 15.014 757 1HD LYS 5 HD2 LYS 5 2.830 0.031 15.127 758 2HD LYS 5 HD1 LYS 5 2.766 -0.844 16.657 759 1HE LYS 5 HE2 LYS 5 4.805 -1.980 16.223 760 2HE LYS 5 HE1 LYS 5 4.775 -1.550 14.514 761 1HZ LYS 5 HZ1 LYS 5 4.905 0.506 16.634 762 2HZ LYS 5 HZ2 LYS 5 5.292 0.662 14.987 763 3HZ LYS 5 HZ3 LYS 5 6.307 -0.225 16.021 764 H ALA 6 HN ALA 6 2.393 -1.905 10.486 765 HA ALA 6 HA ALA 6 -0.196 -1.261 9.472 766 1HB ALA 6 HB1 ALA 6 2.320 -1.697 7.850 767 2HB ALA 6 HB2 ALA 6 1.992 -0.216 8.750 768 3HB ALA 6 HB3 ALA 6 0.938 -0.691 7.419 769 H MET 7 HN MET 7 2.030 -3.901 8.699 770 HA MET 7 HA MET 7 0.391 -5.161 6.760 771 1HB MET 7 HB2 MET 7 2.807 -5.682 7.211 772 2HB MET 7 HB1 MET 7 2.314 -6.499 8.693 773 1HG MET 7 HG2 MET 7 0.848 -7.994 7.298 774 2HG MET 7 HG1 MET 7 1.550 -7.250 5.865 775 1HE MET 7 HE1 MET 7 3.650 -7.599 4.900 776 2HE MET 7 HE2 MET 7 5.053 -8.423 5.573 777 3HE MET 7 HE3 MET 7 4.565 -6.860 6.220 778 H VAL 8 HN VAL 8 0.393 -5.420 10.292 779 HA VAL 8 HA VAL 8 -1.630 -7.560 10.218 780 HB VAL 8 HB VAL 8 -0.438 -5.929 12.482 781 1HG1 VAL 8 HG11 VAL 8 -2.555 -8.091 12.475 782 2HG1 VAL 8 HG12 VAL 8 -2.637 -6.492 13.215 783 3HG1 VAL 8 HG13 VAL 8 -1.585 -7.730 13.904 784 1HG2 VAL 8 HG21 VAL 8 -0.195 -8.885 11.859 785 2HG2 VAL 8 HG22 VAL 8 0.764 -7.944 13.003 786 3HG2 VAL 8 HG23 VAL 8 0.957 -7.687 11.269 787 H ALA 9 HN ALA 9 -1.473 -4.106 10.930 788 HA ALA 9 HA ALA 9 -4.212 -3.785 11.695 789 1HB ALA 9 HB1 ALA 9 -3.828 -1.370 11.032 790 2HB ALA 9 HB2 ALA 9 -2.225 -1.851 10.479 791 3HB ALA 9 HB3 ALA 9 -2.656 -2.015 12.181 792 H LEU 10 HN LEU 10 -2.623 -3.873 8.521 793 HA LEU 10 HA LEU 10 -5.033 -2.958 7.133 794 1HB LEU 10 HB2 LEU 10 -2.325 -3.982 6.342 795 2HB LEU 10 HB1 LEU 10 -3.599 -3.959 5.125 796 HG LEU 10 HG LEU 10 -3.351 -1.437 6.717 797 1HD1 LEU 10 HD11 LEU 10 -1.427 -0.755 5.065 798 2HD1 LEU 10 HD12 LEU 10 -1.093 -2.484 5.048 799 3HD1 LEU 10 HD13 LEU 10 -1.044 -1.596 6.565 800 1HD2 LEU 10 HD21 LEU 10 -3.415 -1.910 3.720 801 2HD2 LEU 10 HD22 LEU 10 -3.812 -0.420 4.575 802 3HD2 LEU 10 HD23 LEU 10 -4.864 -1.827 4.723 803 H ILE 11 HN ILE 11 -3.425 -6.134 7.534 804 HA ILE 11 HA ILE 11 -5.051 -7.757 5.994 805 HB ILE 11 HB ILE 11 -3.879 -8.227 8.743 806 1HG1 ILE 11 HG12 ILE 11 -2.508 -7.916 6.507 807 2HG1 ILE 11 HG11 ILE 11 -2.072 -9.203 7.624 808 1HG2 ILE 11 HG21 ILE 11 -5.675 -9.780 8.683 809 2HG2 ILE 11 HG22 ILE 11 -4.262 -10.701 8.166 810 3HG2 ILE 11 HG23 ILE 11 -5.426 -10.126 6.972 811 1HD1 ILE 11 HD11 ILE 11 -2.928 -10.872 6.245 812 2HD1 ILE 11 HD12 ILE 11 -2.348 -9.715 5.049 813 3HD1 ILE 11 HD13 ILE 11 -4.062 -9.783 5.447 814 H ASP 12 HN ASP 12 -5.842 -6.152 9.017 815 HA ASP 12 HA ASP 12 -8.331 -7.592 9.424 816 1HB ASP 12 HB2 ASP 12 -7.291 -4.969 10.533 817 2HB ASP 12 HB1 ASP 12 -8.820 -5.698 11.024 818 H VAL 13 HN VAL 13 -7.530 -4.320 8.228 819 HA VAL 13 HA VAL 13 -10.273 -3.828 7.413 820 HB VAL 13 HB VAL 13 -7.820 -2.346 6.417 821 1HG1 VAL 13 HG11 VAL 13 -9.448 -0.469 6.329 822 2HG1 VAL 13 HG12 VAL 13 -10.718 -1.577 6.842 823 3HG1 VAL 13 HG13 VAL 13 -9.921 -1.813 5.289 824 1HG2 VAL 13 HG21 VAL 13 -9.381 -1.994 8.996 825 2HG2 VAL 13 HG22 VAL 13 -8.203 -0.838 8.375 826 3HG2 VAL 13 HG23 VAL 13 -7.684 -2.453 8.855 827 H PHE 14 HN PHE 14 -7.436 -5.274 5.918 828 HA PHE 14 HA PHE 14 -8.414 -5.003 3.201 829 1HB PHE 14 HB2 PHE 14 -6.182 -6.364 4.578 830 2HB PHE 14 HB1 PHE 14 -6.734 -7.217 3.145 831 HD1 PHE 14 HD1 PHE 14 -6.628 -3.542 3.864 832 HD2 PHE 14 HD2 PHE 14 -5.101 -6.793 1.505 833 HE1 PHE 14 HE1 PHE 14 -5.393 -1.930 2.441 834 HE2 PHE 14 HE2 PHE 14 -3.867 -5.179 0.082 835 HZ PHE 14 HZ PHE 14 -4.016 -2.748 0.551 836 H HIS 15 HN HIS 15 -8.487 -7.743 5.516 837 HA HIS 15 HA HIS 15 -10.057 -9.350 3.679 838 1HB HIS 15 HB2 HIS 15 -8.539 -9.857 5.966 839 2HB HIS 15 HB1 HIS 15 -10.178 -10.156 6.526 840 HD1 HIS 15 HD1 HIS 15 -8.072 -12.435 6.138 841 HD2 HIS 15 HD2 HIS 15 -10.977 -11.422 3.326 842 HE1 HIS 15 HE1 HIS 15 -8.360 -14.457 4.645 843 H GLN 16 HN GLN 16 -10.818 -7.186 6.366 844 HA GLN 16 HA GLN 16 -13.543 -8.045 6.694 845 1HB GLN 16 HB2 GLN 16 -12.079 -5.490 7.374 846 2HB GLN 16 HB1 GLN 16 -13.796 -5.704 7.725 847 1HG GLN 16 HG2 GLN 16 -13.368 -7.561 9.166 848 2HG GLN 16 HG1 GLN 16 -11.697 -7.690 8.617 849 1HE2 GLN 16 HE21 GLN 16 -13.096 -4.512 9.217 850 2HE2 GLN 16 HE22 GLN 16 -12.218 -4.190 10.633 851 H TYR 17 HN TYR 17 -12.074 -5.489 4.691 852 HA TYR 17 HA TYR 17 -14.725 -4.766 3.611 853 1HB TYR 17 HB2 TYR 17 -11.926 -3.714 3.228 854 2HB TYR 17 HB1 TYR 17 -13.216 -3.250 2.115 855 HD1 TYR 17 HD1 TYR 17 -14.978 -1.761 2.784 856 HD2 TYR 17 HD2 TYR 17 -12.139 -3.200 5.668 857 HE1 TYR 17 HE1 TYR 17 -15.836 -0.130 4.441 858 HE2 TYR 17 HE2 TYR 17 -12.999 -1.566 7.326 859 HH TYR 17 HH TYR 17 -14.691 -0.137 7.787 860 H SER 18 HN SER 18 -11.657 -5.917 2.133 861 HA SER 18 HA SER 18 -12.688 -6.469 -0.411 862 1HB SER 18 HB2 SER 18 -10.788 -8.363 0.976 863 2HB SER 18 HB1 SER 18 -10.855 -7.938 -0.733 864 HG SER 18 HG SER 18 -10.356 -6.025 1.292 865 H GLY 19 HN GLY 19 -13.217 -8.151 2.603 866 1HA GLY 19 HA2 GLY 19 -14.643 -10.379 1.218 867 2HA GLY 19 HA1 GLY 19 -14.151 -10.372 2.908 868 H ARG 20 HN ARG 20 -15.479 -7.346 2.276 869 HA ARG 20 HA ARG 20 -17.758 -7.764 3.933 870 1HB ARG 20 HB2 ARG 20 -16.851 -5.530 3.513 871 2HB ARG 20 HB1 ARG 20 -17.267 -5.648 1.809 872 1HG ARG 20 HG2 ARG 20 -19.698 -5.880 2.535 873 2HG ARG 20 HG1 ARG 20 -19.164 -5.502 4.172 874 1HD ARG 20 HD2 ARG 20 -18.136 -3.391 3.260 875 2HD ARG 20 HD1 ARG 20 -18.899 -3.755 1.710 876 HE ARG 20 HE ARG 20 -20.797 -3.759 3.918 877 1HH1 ARG 20 HH21 ARG 20 -19.023 -1.870 1.645 878 2HH1 ARG 20 HH22 ARG 20 -20.180 -0.581 1.611 879 1HH2 ARG 20 HH11 ARG 20 -22.319 -2.089 3.885 880 2HH2 ARG 20 HH12 ARG 20 -22.047 -0.706 2.879 881 H GLU 21 HN GLU 21 -17.396 -7.759 0.420 882 HA GLU 21 HA GLU 21 -19.587 -9.618 0.100 883 1HB GLU 21 HB2 GLU 21 -21.172 -8.162 -1.065 884 2HB GLU 21 HB1 GLU 21 -20.882 -7.562 0.567 885 1HG GLU 21 HG2 GLU 21 -18.976 -6.138 -0.680 886 2HG GLU 21 HG1 GLU 21 -20.038 -6.395 -2.066 887 H GLY 22 HN GLY 22 -20.108 -9.863 -2.343 888 1HA GLY 22 HA2 GLY 22 -19.373 -9.883 -4.611 889 2HA GLY 22 HA1 GLY 22 -17.972 -8.920 -4.142 890 H ASP 23 HN ASP 23 -16.136 -10.049 -4.487 891 HA ASP 23 HA ASP 23 -16.147 -12.975 -4.513 892 1HB ASP 23 HB2 ASP 23 -13.711 -11.190 -4.631 893 2HB ASP 23 HB1 ASP 23 -13.903 -12.814 -5.289 894 H LYS 24 HN LYS 24 -13.731 -13.651 -3.371 895 HA LYS 24 HA LYS 24 -14.399 -13.432 -0.509 896 1HB LYS 24 HB2 LYS 24 -13.839 -15.625 -1.498 897 2HB LYS 24 HB1 LYS 24 -12.246 -15.020 -1.939 898 1HG LYS 24 HG2 LYS 24 -12.187 -16.362 0.144 899 2HG LYS 24 HG1 LYS 24 -11.677 -14.702 0.425 900 1HD LYS 24 HD2 LYS 24 -13.646 -14.147 1.571 901 2HD LYS 24 HD1 LYS 24 -14.576 -15.437 0.808 902 1HE LYS 24 HE2 LYS 24 -14.013 -15.855 3.234 903 2HE LYS 24 HE1 LYS 24 -13.460 -17.119 2.135 904 1HZ LYS 24 HZ1 LYS 24 -11.566 -14.983 2.507 905 2HZ LYS 24 HZ2 LYS 24 -11.335 -16.666 2.564 906 3HZ LYS 24 HZ3 LYS 24 -11.910 -15.837 3.931 907 H HIS 25 HN HIS 25 -12.244 -11.884 -2.713 908 HA HIS 25 HA HIS 25 -11.143 -10.291 -0.548 909 1HB HIS 25 HB2 HIS 25 -9.842 -12.582 -0.647 910 2HB HIS 25 HB1 HIS 25 -9.041 -11.856 -2.037 911 HD2 HIS 25 HD2 HIS 25 -7.563 -9.416 -1.379 912 HE1 HIS 25 HE1 HIS 25 -7.473 -10.234 2.763 913 HE2 HIS 25 HE2 HIS 25 -6.503 -8.790 0.919 914 H LYS 26 HN LYS 26 -12.376 -9.020 -2.331 915 HA LYS 26 HA LYS 26 -10.301 -7.766 -4.038 916 1HB LYS 26 HB2 LYS 26 -12.846 -9.055 -5.016 917 2HB LYS 26 HB1 LYS 26 -12.241 -7.615 -5.836 918 1HG LYS 26 HG2 LYS 26 -10.124 -8.691 -6.304 919 2HG LYS 26 HG1 LYS 26 -10.561 -10.087 -5.320 920 1HD LYS 26 HD2 LYS 26 -10.848 -10.509 -7.762 921 2HD LYS 26 HD1 LYS 26 -12.358 -10.665 -6.866 922 1HE LYS 26 HE2 LYS 26 -13.214 -8.649 -7.702 923 2HE LYS 26 HE1 LYS 26 -11.615 -8.019 -8.102 924 1HZ LYS 26 HZ1 LYS 26 -12.498 -8.639 -10.137 925 2HZ LYS 26 HZ2 LYS 26 -13.201 -10.060 -9.527 926 3HZ LYS 26 HZ3 LYS 26 -11.517 -9.961 -9.730 927 H LEU 27 HN LEU 27 -10.789 -5.540 -4.430 928 HA LEU 27 HA LEU 27 -12.717 -4.424 -2.466 929 1HB LEU 27 HB2 LEU 27 -10.202 -3.729 -2.801 930 2HB LEU 27 HB1 LEU 27 -10.829 -2.770 -4.133 931 HG LEU 27 HG LEU 27 -12.022 -2.569 -1.348 932 1HD1 LEU 27 HD11 LEU 27 -9.581 -1.237 -2.492 933 2HD1 LEU 27 HD12 LEU 27 -9.801 -1.985 -0.910 934 3HD1 LEU 27 HD13 LEU 27 -10.557 -0.435 -1.260 935 1HD2 LEU 27 HD21 LEU 27 -11.948 -0.751 -3.780 936 2HD2 LEU 27 HD22 LEU 27 -12.622 -0.292 -2.218 937 3HD2 LEU 27 HD23 LEU 27 -13.352 -1.591 -3.141 938 H LYS 28 HN LYS 28 -14.627 -3.727 -3.088 939 HA LYS 28 HA LYS 28 -15.105 -2.978 -5.966 940 1HB LYS 28 HB2 LYS 28 -17.634 -3.330 -4.779 941 2HB LYS 28 HB1 LYS 28 -16.814 -4.489 -5.826 942 1HG LYS 28 HG2 LYS 28 -15.884 -5.661 -3.971 943 2HG LYS 28 HG1 LYS 28 -16.319 -4.373 -2.849 944 1HD LYS 28 HD2 LYS 28 -17.848 -6.303 -2.699 945 2HD LYS 28 HD1 LYS 28 -18.684 -4.826 -3.179 946 1HE LYS 28 HE2 LYS 28 -19.224 -6.982 -4.491 947 2HE LYS 28 HE1 LYS 28 -18.868 -5.532 -5.427 948 1HZ LYS 28 HZ1 LYS 28 -17.678 -7.801 -5.921 949 2HZ LYS 28 HZ2 LYS 28 -16.640 -7.279 -4.682 950 3HZ LYS 28 HZ3 LYS 28 -16.852 -6.328 -6.074 951 H LYS 29 HN LYS 29 -16.536 -1.090 -6.284 952 HA LYS 29 HA LYS 29 -15.799 1.173 -4.830 953 1HB LYS 29 HB2 LYS 29 -18.528 0.804 -6.095 954 2HB LYS 29 HB1 LYS 29 -17.673 2.325 -5.830 955 1HG LYS 29 HG2 LYS 29 -15.782 1.217 -7.283 956 2HG LYS 29 HG1 LYS 29 -17.073 0.139 -7.817 957 1HD LYS 29 HD2 LYS 29 -18.364 2.473 -8.172 958 2HD LYS 29 HD1 LYS 29 -16.713 3.079 -8.314 959 1HE LYS 29 HE2 LYS 29 -18.144 1.077 -10.048 960 2HE LYS 29 HE1 LYS 29 -17.240 2.511 -10.529 961 1HZ LYS 29 HZ1 LYS 29 -15.378 1.341 -10.636 962 2HZ LYS 29 HZ2 LYS 29 -16.305 -0.067 -10.432 963 3HZ LYS 29 HZ3 LYS 29 -15.601 0.692 -9.085 964 H SER 30 HN SER 30 -18.653 -0.894 -4.248 965 HA SER 30 HA SER 30 -19.826 0.532 -2.134 966 1HB SER 30 HB2 SER 30 -19.571 -2.428 -2.664 967 2HB SER 30 HB1 SER 30 -20.410 -1.838 -1.231 968 HG SER 30 HG SER 30 -21.879 -2.064 -2.913 969 H GLU 31 HN GLU 31 -16.790 -0.966 -2.280 970 HA GLU 31 HA GLU 31 -16.452 -0.910 0.707 971 1HB GLU 31 HB2 GLU 31 -14.767 -2.203 -1.443 972 2HB GLU 31 HB1 GLU 31 -14.319 -2.136 0.257 973 1HG GLU 31 HG2 GLU 31 -16.292 -3.387 0.888 974 2HG GLU 31 HG1 GLU 31 -16.910 -3.327 -0.765 975 H LEU 32 HN LEU 32 -15.083 0.353 -2.308 976 HA LEU 32 HA LEU 32 -13.031 1.857 -0.986 977 1HB LEU 32 HB2 LEU 32 -13.611 1.318 -3.609 978 2HB LEU 32 HB1 LEU 32 -14.151 2.989 -3.510 979 HG LEU 32 HG LEU 32 -11.404 2.005 -2.668 980 1HD1 LEU 32 HD11 LEU 32 -12.236 3.589 -5.115 981 2HD1 LEU 32 HD12 LEU 32 -11.800 1.881 -5.123 982 3HD1 LEU 32 HD13 LEU 32 -10.596 3.097 -4.698 983 1HD2 LEU 32 HD21 LEU 32 -10.890 4.434 -2.596 984 2HD2 LEU 32 HD22 LEU 32 -12.148 3.996 -1.441 985 3HD2 LEU 32 HD23 LEU 32 -12.578 4.785 -2.956 986 H LYS 33 HN LYS 33 -16.277 2.817 -2.112 987 HA LYS 33 HA LYS 33 -16.054 5.465 -0.979 988 1HB LYS 33 HB2 LYS 33 -17.673 5.147 -2.713 989 2HB LYS 33 HB1 LYS 33 -18.389 3.764 -1.893 990 1HG LYS 33 HG2 LYS 33 -18.396 6.318 -0.333 991 2HG LYS 33 HG1 LYS 33 -19.431 6.303 -1.760 992 1HD LYS 33 HD2 LYS 33 -20.783 4.581 -0.939 993 2HD LYS 33 HD1 LYS 33 -19.532 3.963 0.137 994 1HE LYS 33 HE2 LYS 33 -21.474 5.220 1.245 995 2HE LYS 33 HE1 LYS 33 -19.846 5.729 1.694 996 1HZ LYS 33 HZ1 LYS 33 -21.404 7.015 -0.475 997 2HZ LYS 33 HZ2 LYS 33 -19.973 7.576 0.249 998 3HZ LYS 33 HZ3 LYS 33 -21.427 7.565 1.129 999 H GLU 34 HN GLU 34 -17.264 2.367 0.177 1000 HA GLU 34 HA GLU 34 -18.250 3.491 2.693 1001 1HB GLU 34 HB2 GLU 34 -19.167 1.389 1.687 1002 2HB GLU 34 HB1 GLU 34 -17.640 0.588 2.068 1003 1HG GLU 34 HG2 GLU 34 -19.210 0.103 3.848 1004 2HG GLU 34 HG1 GLU 34 -17.998 1.215 4.481 1005 H LEU 35 HN LEU 35 -15.250 2.059 1.595 1006 HA LEU 35 HA LEU 35 -14.089 1.680 4.221 1007 1HB LEU 35 HB2 LEU 35 -13.145 0.483 2.342 1008 2HB LEU 35 HB1 LEU 35 -12.905 1.983 1.445 1009 HG LEU 35 HG LEU 35 -11.199 2.728 3.010 1010 1HD1 LEU 35 HD11 LEU 35 -11.940 1.909 5.115 1011 2HD1 LEU 35 HD12 LEU 35 -10.451 1.029 4.786 1012 3HD1 LEU 35 HD13 LEU 35 -12.013 0.248 4.533 1013 1HD2 LEU 35 HD21 LEU 35 -10.771 -0.171 2.244 1014 2HD2 LEU 35 HD22 LEU 35 -9.508 1.017 2.579 1015 3HD2 LEU 35 HD23 LEU 35 -10.545 1.208 1.167 1016 H ILE 36 HN ILE 36 -14.152 4.275 1.846 1017 HA ILE 36 HA ILE 36 -12.276 5.965 3.194 1018 HB ILE 36 HB ILE 36 -14.418 6.493 1.129 1019 1HG1 ILE 36 HG12 ILE 36 -11.406 6.614 0.906 1020 2HG1 ILE 36 HG11 ILE 36 -12.314 5.135 0.610 1021 1HG2 ILE 36 HG21 ILE 36 -14.206 8.600 2.186 1022 2HG2 ILE 36 HG22 ILE 36 -13.084 8.686 0.828 1023 3HG2 ILE 36 HG23 ILE 36 -12.477 8.385 2.458 1024 1HD1 ILE 36 HD11 ILE 36 -11.829 6.511 -1.465 1025 2HD1 ILE 36 HD12 ILE 36 -12.901 7.746 -0.807 1026 3HD1 ILE 36 HD13 ILE 36 -13.534 6.147 -1.201 1027 H ASN 37 HN ASN 37 -15.791 5.676 3.284 1028 HA ASN 37 HA ASN 37 -16.105 7.937 5.098 1029 1HB ASN 37 HB2 ASN 37 -18.017 5.745 4.254 1030 2HB ASN 37 HB1 ASN 37 -18.469 7.138 5.239 1031 1HD2 ASN 37 HD21 ASN 37 -16.015 7.954 3.003 1032 2HD2 ASN 37 HD22 ASN 37 -17.002 8.663 1.818 1033 H ASN 38 HN ASN 38 -15.511 4.526 5.491 1034 HA ASN 38 HA ASN 38 -16.389 4.583 8.327 1035 1HB ASN 38 HB2 ASN 38 -15.488 2.398 6.458 1036 2HB ASN 38 HB1 ASN 38 -15.685 2.107 8.187 1037 1HD2 ASN 38 HD21 ASN 38 -17.871 4.510 7.286 1038 2HD2 ASN 38 HD22 ASN 38 -19.238 3.535 7.034 1039 H GLU 39 HN GLU 39 -13.362 4.806 6.596 1040 HA GLU 39 HA GLU 39 -11.934 4.608 9.247 1041 1HB GLU 39 HB2 GLU 39 -11.060 3.513 6.564 1042 2HB GLU 39 HB1 GLU 39 -9.988 3.670 7.955 1043 1HG GLU 39 HG2 GLU 39 -12.610 2.159 8.058 1044 2HG GLU 39 HG1 GLU 39 -11.067 1.386 7.691 1045 H LEU 40 HN LEU 40 -11.496 5.758 5.877 1046 HA LEU 40 HA LEU 40 -9.682 7.881 6.857 1047 1HB LEU 40 HB2 LEU 40 -10.700 7.310 4.065 1048 2HB LEU 40 HB1 LEU 40 -9.482 8.494 4.485 1049 HG LEU 40 HG LEU 40 -8.460 6.420 3.625 1050 1HD1 LEU 40 HD11 LEU 40 -7.463 7.900 5.525 1051 2HD1 LEU 40 HD12 LEU 40 -6.730 6.332 5.193 1052 3HD1 LEU 40 HD13 LEU 40 -7.821 6.520 6.565 1053 1HD2 LEU 40 HD21 LEU 40 -8.759 4.313 4.531 1054 2HD2 LEU 40 HD22 LEU 40 -10.372 4.978 4.734 1055 3HD2 LEU 40 HD23 LEU 40 -9.260 4.924 6.108 1056 H SER 41 HN SER 41 -12.512 7.860 7.761 1057 HA SER 41 HA SER 41 -13.752 10.094 6.314 1058 1HB SER 41 HB2 SER 41 -15.317 9.894 8.442 1059 2HB SER 41 HB1 SER 41 -15.388 8.677 7.179 1060 HG SER 41 HG SER 41 -15.108 7.502 8.972 1061 H HIS 42 HN HIS 42 -11.556 9.607 8.933 1062 HA HIS 42 HA HIS 42 -12.083 12.234 10.162 1063 1HB HIS 42 HB2 HIS 42 -11.379 10.339 11.583 1064 2HB HIS 42 HB1 HIS 42 -9.887 10.195 10.655 1065 HD1 HIS 42 HD1 HIS 42 -11.716 12.722 12.839 1066 HD2 HIS 42 HD2 HIS 42 -7.847 11.875 11.528 1067 HE1 HIS 42 HE1 HIS 42 -10.177 14.314 14.071 1068 HE2 HIS 42 HE2 HIS 42 -7.821 13.808 13.279 1069 H PHE 43 HN PHE 43 -10.112 10.805 7.719 1070 HA PHE 43 HA PHE 43 -8.398 13.257 7.552 1071 1HB PHE 43 HB2 PHE 43 -8.036 10.393 6.668 1072 2HB PHE 43 HB1 PHE 43 -7.123 11.679 5.881 1073 HD1 PHE 43 HD1 PHE 43 -6.027 13.435 7.568 1074 HD2 PHE 43 HD2 PHE 43 -7.079 9.390 8.565 1075 HE1 PHE 43 HE1 PHE 43 -4.430 13.487 9.464 1076 HE2 PHE 43 HE2 PHE 43 -5.479 9.442 10.461 1077 HZ PHE 43 HZ PHE 43 -4.155 11.490 10.909 1078 H LEU 44 HN LEU 44 -10.256 10.962 5.505 1079 HA LEU 44 HA LEU 44 -10.439 13.090 3.429 1080 1HB LEU 44 HB2 LEU 44 -10.670 10.107 3.365 1081 2HB LEU 44 HB1 LEU 44 -11.549 11.029 2.156 1082 HG LEU 44 HG LEU 44 -9.496 12.105 1.411 1083 1HD1 LEU 44 HD11 LEU 44 -8.279 12.286 3.499 1084 2HD1 LEU 44 HD12 LEU 44 -7.305 11.339 2.387 1085 3HD1 LEU 44 HD13 LEU 44 -8.213 10.533 3.665 1086 1HD2 LEU 44 HD21 LEU 44 -10.120 9.809 0.560 1087 2HD2 LEU 44 HD22 LEU 44 -8.987 9.133 1.730 1088 3HD2 LEU 44 HD23 LEU 44 -8.401 10.181 0.439 1089 H GLU 45 HN GLU 45 -12.327 14.147 3.092 1090 HA GLU 45 HA GLU 45 -14.495 13.995 4.900 1091 1HB GLU 45 HB2 GLU 45 -14.050 15.920 3.382 1092 2HB GLU 45 HB1 GLU 45 -14.576 14.937 2.016 1093 1HG GLU 45 HG2 GLU 45 -16.806 14.751 2.907 1094 2HG GLU 45 HG1 GLU 45 -16.315 15.484 4.434 1095 H GLU 46 HN GLU 46 -16.513 12.945 4.793 1096 HA GLU 46 HA GLU 46 -16.576 10.356 3.583 1097 1HB GLU 46 HB2 GLU 46 -18.877 12.081 4.559 1098 2HB GLU 46 HB1 GLU 46 -18.976 10.357 4.209 1099 1HG GLU 46 HG2 GLU 46 -18.654 10.492 6.554 1100 2HG GLU 46 HG1 GLU 46 -17.076 10.055 5.897 1101 H ILE 47 HN ILE 47 -16.499 10.182 1.348 1102 HA ILE 47 HA ILE 47 -17.675 12.162 -0.390 1103 HB ILE 47 HB ILE 47 -17.057 10.765 -2.205 1104 1HG1 ILE 47 HG12 ILE 47 -17.200 8.483 -0.212 1105 2HG1 ILE 47 HG11 ILE 47 -18.160 8.699 -1.675 1106 1HG2 ILE 47 HG21 ILE 47 -14.782 10.299 -1.785 1107 2HG2 ILE 47 HG22 ILE 47 -15.085 9.892 -0.094 1108 3HG2 ILE 47 HG23 ILE 47 -15.184 11.571 -0.629 1109 1HD1 ILE 47 HD11 ILE 47 -15.330 7.771 -1.391 1110 2HD1 ILE 47 HD12 ILE 47 -15.755 8.688 -2.838 1111 3HD1 ILE 47 HD13 ILE 47 -16.600 7.189 -2.464 1112 H LYS 48 HN LYS 48 -19.786 12.385 -0.922 1113 HA LYS 48 HA LYS 48 -21.686 10.215 -0.140 1114 1HB LYS 48 HB2 LYS 48 -22.048 13.158 -0.772 1115 2HB LYS 48 HB1 LYS 48 -23.402 12.048 -0.540 1116 1HG LYS 48 HG2 LYS 48 -22.599 11.505 1.719 1117 2HG LYS 48 HG1 LYS 48 -21.208 12.568 1.495 1118 1HD LYS 48 HD2 LYS 48 -22.771 14.484 1.152 1119 2HD LYS 48 HD1 LYS 48 -24.124 13.406 1.493 1120 1HE LYS 48 HE2 LYS 48 -23.482 14.656 3.515 1121 2HE LYS 48 HE1 LYS 48 -23.183 12.931 3.728 1122 1HZ LYS 48 HZ1 LYS 48 -21.368 14.928 4.089 1123 2HZ LYS 48 HZ2 LYS 48 -20.954 14.295 2.567 1124 3HZ LYS 48 HZ3 LYS 48 -21.011 13.278 3.927 1125 H GLU 49 HN GLU 49 -20.117 11.588 -2.808 1126 HA GLU 49 HA GLU 49 -22.069 10.344 -4.723 1127 1HB GLU 49 HB2 GLU 49 -20.166 12.663 -5.188 1128 2HB GLU 49 HB1 GLU 49 -21.260 11.971 -6.386 1129 1HG GLU 49 HG2 GLU 49 -23.164 12.504 -4.782 1130 2HG GLU 49 HG1 GLU 49 -21.997 13.437 -3.843 1131 H GLN 50 HN GLN 50 -21.234 8.533 -5.618 1132 HA GLN 50 HA GLN 50 -18.566 7.645 -5.236 1133 1HB GLN 50 HB2 GLN 50 -19.124 6.041 -7.131 1134 2HB GLN 50 HB1 GLN 50 -20.254 6.032 -5.779 1135 1HG GLN 50 HG2 GLN 50 -21.781 7.501 -7.001 1136 2HG GLN 50 HG1 GLN 50 -20.636 7.612 -8.338 1137 1HE2 GLN 50 HE21 GLN 50 -23.204 5.717 -6.996 1138 2HE2 GLN 50 HE22 GLN 50 -23.113 4.425 -8.094 1139 H GLU 51 HN GLU 51 -19.865 9.892 -7.535 1140 HA GLU 51 HA GLU 51 -18.337 9.698 -9.768 1141 1HB GLU 51 HB2 GLU 51 -18.841 12.248 -8.222 1142 2HB GLU 51 HB1 GLU 51 -18.362 12.170 -9.918 1143 1HG GLU 51 HG2 GLU 51 -20.425 10.725 -10.307 1144 2HG GLU 51 HG1 GLU 51 -20.937 11.174 -8.678 1145 H VAL 52 HN VAL 52 -17.126 10.977 -6.676 1146 HA VAL 52 HA VAL 52 -14.508 11.488 -7.854 1147 HB VAL 52 HB VAL 52 -15.054 12.847 -5.963 1148 1HG1 VAL 52 HG11 VAL 52 -15.600 11.764 -3.743 1149 2HG1 VAL 52 HG12 VAL 52 -15.747 10.233 -4.606 1150 3HG1 VAL 52 HG13 VAL 52 -16.834 11.568 -4.987 1151 1HG2 VAL 52 HG21 VAL 52 -12.714 11.764 -6.042 1152 2HG2 VAL 52 HG22 VAL 52 -13.288 10.720 -4.741 1153 3HG2 VAL 52 HG23 VAL 52 -13.220 12.467 -4.504 1154 H VAL 53 HN VAL 53 -16.058 8.885 -6.051 1155 HA VAL 53 HA VAL 53 -13.631 7.390 -5.733 1156 HB VAL 53 HB VAL 53 -16.229 7.111 -4.799 1157 1HG1 VAL 53 HG11 VAL 53 -17.183 5.063 -5.578 1158 2HG1 VAL 53 HG12 VAL 53 -15.747 4.670 -6.523 1159 3HG1 VAL 53 HG13 VAL 53 -16.801 5.984 -7.030 1160 1HG2 VAL 53 HG21 VAL 53 -14.146 6.314 -3.721 1161 2HG2 VAL 53 HG22 VAL 53 -14.116 4.942 -4.829 1162 3HG2 VAL 53 HG23 VAL 53 -15.428 5.105 -3.663 1163 H ASP 54 HN ASP 54 -15.777 8.034 -8.319 1164 HA ASP 54 HA ASP 54 -14.903 5.791 -9.994 1165 1HB ASP 54 HB2 ASP 54 -17.128 6.821 -10.335 1166 2HB ASP 54 HB1 ASP 54 -16.355 8.359 -10.718 1167 H LYS 55 HN LYS 55 -14.110 9.194 -9.504 1168 HA LYS 55 HA LYS 55 -12.230 9.310 -11.731 1169 1HB LYS 55 HB2 LYS 55 -13.236 11.370 -10.933 1170 2HB LYS 55 HB1 LYS 55 -12.616 11.096 -9.307 1171 1HG LYS 55 HG2 LYS 55 -10.536 11.086 -11.445 1172 2HG LYS 55 HG1 LYS 55 -11.338 12.635 -11.211 1173 1HD LYS 55 HD2 LYS 55 -10.589 12.854 -9.003 1174 2HD LYS 55 HD1 LYS 55 -10.325 11.124 -8.811 1175 1HE LYS 55 HE2 LYS 55 -8.175 12.296 -9.006 1176 2HE LYS 55 HE1 LYS 55 -8.427 11.245 -10.399 1177 1HZ LYS 55 HZ1 LYS 55 -9.260 14.074 -10.465 1178 2HZ LYS 55 HZ2 LYS 55 -8.921 13.032 -11.763 1179 3HZ LYS 55 HZ3 LYS 55 -7.656 13.636 -10.803 1180 H VAL 56 HN VAL 56 -11.802 9.191 -8.177 1181 HA VAL 56 HA VAL 56 -8.983 8.906 -8.207 1182 HB VAL 56 HB VAL 56 -10.576 9.159 -6.157 1183 1HG1 VAL 56 HG11 VAL 56 -10.331 6.155 -6.033 1184 2HG1 VAL 56 HG12 VAL 56 -11.716 6.912 -6.810 1185 3HG1 VAL 56 HG13 VAL 56 -11.389 7.220 -5.107 1186 1HG2 VAL 56 HG21 VAL 56 -8.268 7.202 -5.957 1187 2HG2 VAL 56 HG22 VAL 56 -8.888 8.239 -4.675 1188 3HG2 VAL 56 HG23 VAL 56 -8.078 8.953 -6.066 1189 H MET 57 HN MET 57 -11.565 6.554 -8.601 1190 HA MET 57 HA MET 57 -9.952 4.200 -8.690 1191 1HB MET 57 HB2 MET 57 -12.355 4.002 -8.525 1192 2HB MET 57 HB1 MET 57 -12.584 4.910 -10.016 1193 1HG MET 57 HG2 MET 57 -11.759 3.145 -11.356 1194 2HG MET 57 HG1 MET 57 -11.028 2.326 -9.978 1195 1HE MET 57 HE1 MET 57 -12.000 1.039 -8.349 1196 2HE MET 57 HE2 MET 57 -13.644 0.423 -8.251 1197 3HE MET 57 HE3 MET 57 -13.291 2.047 -7.670 1198 H GLU 58 HN GLU 58 -10.461 6.791 -10.948 1199 HA GLU 58 HA GLU 58 -9.498 5.367 -13.293 1200 1HB GLU 58 HB2 GLU 58 -10.916 7.515 -13.265 1201 2HB GLU 58 HB1 GLU 58 -9.426 8.363 -12.850 1202 1HG GLU 58 HG2 GLU 58 -9.646 6.559 -15.265 1203 2HG GLU 58 HG1 GLU 58 -9.991 8.285 -15.329 1204 H THR 59 HN THR 59 -8.106 7.419 -10.814 1205 HA THR 59 HA THR 59 -5.470 7.484 -12.046 1206 HB THR 59 HB THR 59 -6.321 8.130 -9.207 1207 HG1 THR 59 HG1 THR 59 -7.024 9.337 -11.295 1208 1HG2 THR 59 HG21 THR 59 -4.172 9.458 -9.254 1209 2HG2 THR 59 HG22 THR 59 -3.779 8.635 -10.763 1210 3HG2 THR 59 HG23 THR 59 -3.950 7.708 -9.273 1211 H LEU 60 HN LEU 60 -7.119 5.476 -9.661 1212 HA LEU 60 HA LEU 60 -4.586 4.060 -9.040 1213 1HB LEU 60 HB2 LEU 60 -7.376 4.033 -7.940 1214 2HB LEU 60 HB1 LEU 60 -6.367 2.613 -7.672 1215 HG LEU 60 HG LEU 60 -6.215 4.279 -5.830 1216 1HD1 LEU 60 HD11 LEU 60 -3.477 4.404 -7.023 1217 2HD1 LEU 60 HD12 LEU 60 -4.181 2.796 -6.885 1218 3HD1 LEU 60 HD13 LEU 60 -3.999 3.800 -5.451 1219 1HD2 LEU 60 HD21 LEU 60 -5.306 6.451 -6.163 1220 2HD2 LEU 60 HD22 LEU 60 -6.474 6.243 -7.469 1221 3HD2 LEU 60 HD23 LEU 60 -4.750 6.053 -7.789 1222 H ASP 61 HN ASP 61 -7.751 3.243 -10.597 1223 HA ASP 61 HA ASP 61 -7.133 0.541 -11.145 1224 1HB ASP 61 HB2 ASP 61 -9.339 1.654 -11.450 1225 2HB ASP 61 HB1 ASP 61 -8.696 2.450 -12.886 1226 H GLU 62 HN GLU 62 -5.126 0.152 -11.819 1227 HA GLU 62 HA GLU 62 -3.983 1.622 -14.116 1228 1HB GLU 62 HB2 GLU 62 -2.913 -0.457 -12.203 1229 2HB GLU 62 HB1 GLU 62 -2.031 -0.028 -13.668 1230 1HG GLU 62 HG2 GLU 62 -2.982 2.062 -11.701 1231 2HG GLU 62 HG1 GLU 62 -1.412 1.274 -11.545 1232 H ASP 63 HN ASP 63 -5.178 -1.586 -13.273 1233 HA ASP 63 HA ASP 63 -4.575 -2.648 -15.937 1234 1HB ASP 63 HB2 ASP 63 -5.876 -4.626 -15.136 1235 2HB ASP 63 HB1 ASP 63 -4.579 -4.180 -14.026 1236 H GLY 64 HN GLY 64 -6.864 -0.533 -14.688 1237 1HA GLY 64 HA2 GLY 64 -8.842 0.316 -15.666 1238 2HA GLY 64 HA1 GLY 64 -8.417 -0.586 -17.121 1239 H ASP 65 HN ASP 65 -9.043 -1.752 -13.812 1240 HA ASP 65 HA ASP 65 -10.966 -3.724 -14.973 1241 1HB ASP 65 HB2 ASP 65 -10.752 -4.778 -12.682 1242 2HB ASP 65 HB1 ASP 65 -9.252 -4.720 -13.609 1243 H GLY 66 HN GLY 66 -11.013 -0.721 -13.452 1244 1HA GLY 66 HA2 GLY 66 -12.844 0.500 -12.585 1245 2HA GLY 66 HA1 GLY 66 -13.891 -0.838 -13.070 1246 H GLU 67 HN GLU 67 -11.443 -2.168 -11.398 1247 HA GLU 67 HA GLU 67 -12.765 -1.900 -8.723 1248 1HB GLU 67 HB2 GLU 67 -11.777 -4.410 -10.118 1249 2HB GLU 67 HB1 GLU 67 -12.167 -4.340 -8.399 1250 1HG GLU 67 HG2 GLU 67 -14.465 -3.677 -8.915 1251 2HG GLU 67 HG1 GLU 67 -14.091 -3.647 -10.638 1252 H CYS 68 HN CYS 68 -11.101 -2.807 -7.018 1253 HA CYS 68 HA CYS 68 -8.326 -1.987 -7.830 1254 1HB CYS 68 HB2 CYS 68 -10.033 -1.095 -5.537 1255 2HB CYS 68 HB1 CYS 68 -8.294 -1.232 -5.273 1256 HG CYS 68 HG CYS 68 -8.174 0.330 -7.576 1257 H ASP 69 HN ASP 69 -7.596 -4.125 -8.026 1258 HA ASP 69 HA ASP 69 -8.058 -6.291 -6.325 1259 1HB ASP 69 HB2 ASP 69 -5.667 -6.993 -6.950 1260 2HB ASP 69 HB1 ASP 69 -6.779 -6.698 -8.288 1261 H PHE 70 HN PHE 70 -5.803 -7.137 -4.993 1262 HA PHE 70 HA PHE 70 -5.840 -5.404 -2.662 1263 1HB PHE 70 HB2 PHE 70 -3.973 -7.340 -2.099 1264 2HB PHE 70 HB1 PHE 70 -5.699 -7.528 -1.835 1265 HD1 PHE 70 HD1 PHE 70 -7.119 -8.483 -3.743 1266 HD2 PHE 70 HD2 PHE 70 -2.832 -8.733 -3.660 1267 HE1 PHE 70 HE1 PHE 70 -7.193 -10.326 -5.400 1268 HE2 PHE 70 HE2 PHE 70 -2.908 -10.574 -5.316 1269 HZ PHE 70 HZ PHE 70 -5.087 -11.371 -6.186 1270 H GLN 71 HN GLN 71 -3.550 -6.033 -5.260 1271 HA GLN 71 HA GLN 71 -1.290 -4.832 -3.916 1272 1HB GLN 71 HB2 GLN 71 -0.901 -6.470 -5.679 1273 2HB GLN 71 HB1 GLN 71 -1.796 -5.487 -6.837 1274 1HG GLN 71 HG2 GLN 71 -0.139 -3.771 -6.796 1275 2HG GLN 71 HG1 GLN 71 0.667 -4.493 -5.399 1276 1HE2 GLN 71 HE21 GLN 71 1.316 -4.062 -8.517 1277 2HE2 GLN 71 HE22 GLN 71 2.049 -5.539 -8.916 1278 H GLU 72 HN GLU 72 -3.762 -3.701 -6.176 1279 HA GLU 72 HA GLU 72 -2.515 -1.043 -6.363 1280 1HB GLU 72 HB2 GLU 72 -3.516 -1.694 -8.384 1281 2HB GLU 72 HB1 GLU 72 -4.896 -2.428 -7.578 1282 1HG GLU 72 HG2 GLU 72 -5.741 -0.163 -6.978 1283 2HG GLU 72 HG1 GLU 72 -4.357 0.557 -7.805 1284 H PHE 73 HN PHE 73 -5.252 -2.627 -4.792 1285 HA PHE 73 HA PHE 73 -6.570 -0.376 -3.767 1286 1HB PHE 73 HB2 PHE 73 -7.584 -2.491 -3.398 1287 2HB PHE 73 HB1 PHE 73 -6.120 -3.142 -2.677 1288 HD1 PHE 73 HD1 PHE 73 -7.206 -3.948 -0.702 1289 HD2 PHE 73 HD2 PHE 73 -7.434 0.216 -1.751 1290 HE1 PHE 73 HE1 PHE 73 -8.086 -3.420 1.545 1291 HE2 PHE 73 HE2 PHE 73 -8.300 0.734 0.505 1292 HZ PHE 73 HZ PHE 73 -8.633 -1.093 2.150 1293 H MET 74 HN MET 74 -3.771 -2.131 -2.386 1294 HA MET 74 HA MET 74 -3.502 -0.472 -0.089 1295 1HB MET 74 HB2 MET 74 -2.140 -2.614 -0.844 1296 2HB MET 74 HB1 MET 74 -1.081 -1.436 -1.609 1297 1HG MET 74 HG2 MET 74 -0.039 -1.251 0.412 1298 2HG MET 74 HG1 MET 74 -1.463 -0.395 0.983 1299 1HE MET 74 HE1 MET 74 0.932 -2.634 1.998 1300 2HE MET 74 HE2 MET 74 0.135 -3.434 3.348 1301 3HE MET 74 HE3 MET 74 0.111 -1.675 3.236 1302 H ALA 75 HN ALA 75 -2.287 -0.199 -3.384 1303 HA ALA 75 HA ALA 75 -0.813 2.209 -3.121 1304 1HB ALA 75 HB1 ALA 75 -0.900 2.373 -5.449 1305 2HB ALA 75 HB2 ALA 75 -2.572 1.831 -5.530 1306 3HB ALA 75 HB3 ALA 75 -1.285 0.671 -5.221 1307 H PHE 76 HN PHE 76 -4.226 1.745 -2.819 1308 HA PHE 76 HA PHE 76 -4.903 4.528 -3.375 1309 1HB PHE 76 HB2 PHE 76 -6.730 2.967 -3.574 1310 2HB PHE 76 HB1 PHE 76 -6.470 2.368 -1.941 1311 HD1 PHE 76 HD1 PHE 76 -6.791 5.796 -3.477 1312 HD2 PHE 76 HD2 PHE 76 -8.144 3.046 -0.458 1313 HE1 PHE 76 HE1 PHE 76 -8.289 7.532 -2.559 1314 HE2 PHE 76 HE2 PHE 76 -9.653 4.793 0.444 1315 HZ PHE 76 HZ PHE 76 -9.717 7.037 -0.609 1316 H VAL 77 HN VAL 77 -4.672 2.683 -0.296 1317 HA VAL 77 HA VAL 77 -4.952 4.933 1.413 1318 HB VAL 77 HB VAL 77 -3.311 2.402 1.765 1319 1HG1 VAL 77 HG11 VAL 77 -3.961 4.649 3.683 1320 2HG1 VAL 77 HG12 VAL 77 -2.371 4.019 3.262 1321 3HG1 VAL 77 HG13 VAL 77 -3.476 3.044 4.227 1322 1HG2 VAL 77 HG21 VAL 77 -6.075 3.288 2.632 1323 2HG2 VAL 77 HG22 VAL 77 -5.248 1.912 3.362 1324 3HG2 VAL 77 HG23 VAL 77 -5.650 1.890 1.644 1325 H SER 78 HN SER 78 -2.313 3.814 -0.528 1326 HA SER 78 HA SER 78 -0.204 5.363 0.643 1327 1HB SER 78 HB2 SER 78 -0.053 3.419 -1.031 1328 2HB SER 78 HB1 SER 78 -0.402 4.607 -2.274 1329 HG SER 78 HG SER 78 1.455 5.613 -0.675 1330 H MET 79 HN MET 79 -2.659 5.958 -1.785 1331 HA MET 79 HA MET 79 -1.603 8.526 -2.620 1332 1HB MET 79 HB2 MET 79 -3.070 7.056 -4.032 1333 2HB MET 79 HB1 MET 79 -4.401 7.402 -2.932 1334 1HG MET 79 HG2 MET 79 -3.772 9.927 -3.451 1335 2HG MET 79 HG1 MET 79 -3.045 9.223 -4.894 1336 1HE MET 79 HE1 MET 79 -4.573 10.421 -6.552 1337 2HE MET 79 HE2 MET 79 -5.851 9.389 -7.190 1338 3HE MET 79 HE3 MET 79 -4.239 8.726 -6.935 1339 H VAL 80 HN VAL 80 -3.964 7.437 -0.233 1340 HA VAL 80 HA VAL 80 -4.753 10.202 0.371 1341 HB VAL 80 HB VAL 80 -6.431 9.315 1.721 1342 1HG1 VAL 80 HG11 VAL 80 -7.456 7.527 0.600 1343 2HG1 VAL 80 HG12 VAL 80 -5.914 6.793 0.168 1344 3HG1 VAL 80 HG13 VAL 80 -6.438 8.273 -0.634 1345 1HG2 VAL 80 HG21 VAL 80 -5.176 8.240 3.431 1346 2HG2 VAL 80 HG22 VAL 80 -4.524 7.049 2.312 1347 3HG2 VAL 80 HG23 VAL 80 -6.221 6.981 2.776 1348 H THR 81 HN THR 81 -2.637 7.656 1.495 1349 HA THR 81 HA THR 81 -1.947 8.978 3.985 1350 HB THR 81 HB THR 81 -0.517 6.851 2.365 1351 HG1 THR 81 HG1 THR 81 -1.438 5.467 3.826 1352 1HG2 THR 81 HG21 THR 81 1.231 7.632 3.672 1353 2HG2 THR 81 HG22 THR 81 0.493 6.497 4.800 1354 3HG2 THR 81 HG23 THR 81 0.162 8.221 4.945 1355 H THR 82 HN THR 82 -0.716 8.960 0.626 1356 HA THR 82 HA THR 82 1.656 10.454 1.329 1357 HB THR 82 HB THR 82 1.717 10.798 -1.200 1358 HG1 THR 82 HG1 THR 82 -0.572 10.564 -1.422 1359 1HG2 THR 82 HG21 THR 82 3.042 9.019 -0.547 1360 2HG2 THR 82 HG22 THR 82 1.827 8.140 -1.480 1361 3HG2 THR 82 HG23 THR 82 1.726 8.186 0.278 1362 H ALA 83 HN ALA 83 -1.626 11.439 0.183 1363 HA ALA 83 HA ALA 83 -0.895 14.132 -0.383 1364 1HB ALA 83 HB1 ALA 83 -3.512 12.938 0.582 1365 2HB ALA 83 HB2 ALA 83 -3.053 13.246 -1.092 1366 3HB ALA 83 HB3 ALA 83 -3.329 14.595 0.008 1367 H CYS 84 HN CYS 84 -2.096 12.548 2.589 1368 HA CYS 84 HA CYS 84 -2.019 14.972 4.160 1369 1HB CYS 84 HB2 CYS 84 -2.245 13.533 6.094 1370 2HB CYS 84 HB1 CYS 84 -3.249 12.863 4.809 1371 HG CYS 84 HG CYS 84 -0.859 11.484 6.063 1372 H HIS 85 HN HIS 85 0.413 13.074 2.801 1373 HA HIS 85 HA HIS 85 2.441 13.828 4.852 1374 1HB HIS 85 HB2 HIS 85 2.288 11.475 3.797 1375 2HB HIS 85 HB1 HIS 85 2.937 12.218 2.337 1376 HD1 HIS 85 HD1 HIS 85 3.825 12.449 6.046 1377 HD2 HIS 85 HD2 HIS 85 5.682 11.927 2.349 1378 HE1 HIS 85 HE1 HIS 85 6.300 12.261 6.514 1379 H GLU 86 HN GLU 86 1.609 14.324 1.430 1380 HA GLU 86 HA GLU 86 3.935 15.895 0.807 1381 1HB GLU 86 HB2 GLU 86 2.449 14.833 -0.906 1382 2HB GLU 86 HB1 GLU 86 1.199 16.007 -0.497 1383 1HG GLU 86 HG2 GLU 86 2.409 16.797 -2.456 1384 2HG GLU 86 HG1 GLU 86 2.796 17.844 -1.091 1385 H PHE 87 HN PHE 87 0.592 16.829 1.636 1386 HA PHE 87 HA PHE 87 0.991 19.634 1.621 1387 1HB PHE 87 HB2 PHE 87 -1.230 18.484 1.876 1388 2HB PHE 87 HB1 PHE 87 -0.785 18.088 3.538 1389 HD1 PHE 87 HD1 PHE 87 -1.288 20.934 1.178 1390 HD2 PHE 87 HD2 PHE 87 -1.006 19.689 5.279 1391 HE1 PHE 87 HE1 PHE 87 -2.025 23.184 1.912 1392 HE2 PHE 87 HE2 PHE 87 -1.745 21.939 6.013 1393 HZ PHE 87 HZ PHE 87 -2.254 23.688 4.329 1394 H PHE 88 HN PHE 88 1.477 17.253 4.218 1395 HA PHE 88 HA PHE 88 2.237 19.102 6.254 1396 1HB PHE 88 HB2 PHE 88 1.698 16.651 6.570 1397 2HB PHE 88 HB1 PHE 88 3.285 16.280 5.895 1398 HD1 PHE 88 HD1 PHE 88 5.169 16.226 7.305 1399 HD2 PHE 88 HD2 PHE 88 1.641 18.328 8.566 1400 HE1 PHE 88 HE1 PHE 88 6.197 16.618 9.530 1401 HE2 PHE 88 HE2 PHE 88 2.667 18.719 10.787 1402 HZ PHE 88 HZ PHE 88 4.945 17.863 11.270 1403 H GLU 89 HN GLU 89 3.992 17.741 3.535 1404 HA GLU 89 HA GLU 89 6.587 18.732 4.550 1405 1HB GLU 89 HB2 GLU 89 5.726 17.238 2.067 1406 2HB GLU 89 HB1 GLU 89 7.358 17.883 2.243 1407 1HG GLU 89 HG2 GLU 89 7.647 16.605 4.331 1408 2HG GLU 89 HG1 GLU 89 6.014 15.959 4.163 1409 H HIS 90 HN HIS 90 3.964 20.132 3.041 1410 HA HIS 90 HA HIS 90 5.243 21.726 1.020 1411 1HB HIS 90 HB2 HIS 90 2.789 21.471 1.145 1412 2HB HIS 90 HB1 HIS 90 2.776 22.343 2.679 1413 HD1 HIS 90 HD1 HIS 90 1.370 24.300 1.666 1414 HD2 HIS 90 HD2 HIS 90 5.048 23.710 -0.216 1415 HE1 HIS 90 HE1 HIS 90 1.771 26.341 0.216 1416 HE2 HIS 90 HE2 HIS 90 4.006 25.991 -0.934 1417 H GLU 91 HN GLU 91 7.081 22.801 1.694 1418 HA GLU 91 HA GLU 91 7.134 24.211 4.275 1419 1HB GLU 91 HB2 GLU 91 9.438 24.823 3.603 1420 2HB GLU 91 HB1 GLU 91 9.164 23.087 3.459 1421 1HG GLU 91 HG2 GLU 91 8.631 23.448 1.024 1422 2HG GLU 91 HG1 GLU 91 9.138 25.126 1.218 Start of MODEL 19 1 1H MET 0 HT1 MET 0 -12.684 1.783 16.835 2 2H MET 0 HT2 MET 0 -11.713 0.439 16.457 3 3H MET 0 HT3 MET 0 -12.499 1.298 15.219 4 HA MET 0 HA MET 0 -11.086 3.265 16.360 5 1HB MET 0 HB2 MET 0 -9.347 0.781 16.413 6 2HB MET 0 HB1 MET 0 -8.856 2.421 16.833 7 1HG MET 0 HG2 MET 0 -10.970 0.802 18.283 8 2HG MET 0 HG1 MET 0 -9.321 1.071 18.853 9 1HE MET 0 HE1 MET 0 -11.830 1.777 20.628 10 2HE MET 0 HE2 MET 0 -11.244 3.296 21.306 11 3HE MET 0 HE3 MET 0 -10.124 1.959 21.059 12 H SER 1 HN SER 1 -9.127 3.810 14.933 13 HA SER 1 HA SER 1 -9.811 3.050 12.144 14 1HB SER 1 HB2 SER 1 -7.781 5.105 13.019 15 2HB SER 1 HB1 SER 1 -8.637 5.006 11.478 16 HG SER 1 HG SER 1 -9.336 6.439 13.477 17 H GLU 2 HN GLU 2 -8.855 0.882 12.543 18 HA GLU 2 HA GLU 2 -6.181 0.306 13.187 19 1HB GLU 2 HB2 GLU 2 -7.949 -1.004 11.103 20 2HB GLU 2 HB1 GLU 2 -6.353 -1.631 11.543 21 1HG GLU 2 HG2 GLU 2 -7.076 -1.812 13.895 22 2HG GLU 2 HG1 GLU 2 -8.666 -1.183 13.462 23 H LEU 3 HN LEU 3 -7.498 1.643 10.221 24 HA LEU 3 HA LEU 3 -5.098 1.386 8.672 25 1HB LEU 3 HB2 LEU 3 -7.776 2.430 8.338 26 2HB LEU 3 HB1 LEU 3 -6.642 3.637 7.756 27 HG LEU 3 HG LEU 3 -7.427 2.018 6.008 28 1HD1 LEU 3 HD11 LEU 3 -4.986 1.443 5.278 29 2HD1 LEU 3 HD12 LEU 3 -4.522 2.375 6.698 30 3HD1 LEU 3 HD13 LEU 3 -5.470 3.130 5.421 31 1HD2 LEU 3 HD21 LEU 3 -7.057 0.054 7.885 32 2HD2 LEU 3 HD22 LEU 3 -5.569 -0.108 6.959 33 3HD2 LEU 3 HD23 LEU 3 -7.129 -0.241 6.151 34 H GLU 4 HN GLU 4 -6.022 3.571 11.192 35 HA GLU 4 HA GLU 4 -4.248 5.729 10.365 36 1HB GLU 4 HB2 GLU 4 -6.094 6.205 11.908 37 2HB GLU 4 HB1 GLU 4 -5.424 5.078 13.089 38 1HG GLU 4 HG2 GLU 4 -3.416 6.470 13.315 39 2HG GLU 4 HG1 GLU 4 -4.021 7.566 12.071 40 H LYS 5 HN LYS 5 -3.983 2.746 12.103 41 HA LYS 5 HA LYS 5 -1.430 3.258 13.365 42 1HB LYS 5 HB2 LYS 5 -2.274 0.498 12.455 43 2HB LYS 5 HB1 LYS 5 -1.390 0.954 13.906 44 1HG LYS 5 HG2 LYS 5 -4.302 1.645 13.427 45 2HG LYS 5 HG1 LYS 5 -3.775 0.210 14.283 46 1HD LYS 5 HD2 LYS 5 -3.090 1.383 16.148 47 2HD LYS 5 HD1 LYS 5 -2.634 2.808 15.226 48 1HE LYS 5 HE2 LYS 5 -4.998 3.367 14.876 49 2HE LYS 5 HE1 LYS 5 -5.479 1.936 15.789 50 1HZ LYS 5 HZ1 LYS 5 -3.795 4.126 16.880 51 2HZ LYS 5 HZ2 LYS 5 -4.428 2.808 17.741 52 3HZ LYS 5 HZ3 LYS 5 -5.468 4.002 17.128 53 H ALA 6 HN ALA 6 -2.435 1.675 10.373 54 HA ALA 6 HA ALA 6 0.187 1.081 9.413 55 1HB ALA 6 HB1 ALA 6 -2.306 1.642 7.791 56 2HB ALA 6 HB2 ALA 6 -1.921 0.083 8.520 57 3HB ALA 6 HB3 ALA 6 -0.890 0.746 7.252 58 H MET 7 HN MET 7 -2.009 3.733 8.505 59 HA MET 7 HA MET 7 -0.307 5.097 6.773 60 1HB MET 7 HB2 MET 7 -2.331 6.151 8.763 61 2HB MET 7 HB1 MET 7 -1.505 7.204 7.619 62 1HG MET 7 HG2 MET 7 -2.420 5.983 5.741 63 2HG MET 7 HG1 MET 7 -3.096 4.753 6.810 64 1HE MET 7 HE1 MET 7 -5.762 7.412 5.087 65 2HE MET 7 HE2 MET 7 -5.462 5.676 5.115 66 3HE MET 7 HE3 MET 7 -4.215 6.767 4.522 67 H VAL 8 HN VAL 8 -0.344 5.235 10.320 68 HA VAL 8 HA VAL 8 1.769 7.255 10.389 69 HB VAL 8 HB VAL 8 0.524 5.509 12.534 70 1HG1 VAL 8 HG11 VAL 8 2.760 7.531 12.647 71 2HG1 VAL 8 HG12 VAL 8 2.654 5.950 13.416 72 3HG1 VAL 8 HG13 VAL 8 1.701 7.295 14.038 73 1HG2 VAL 8 HG21 VAL 8 -0.958 7.220 11.611 74 2HG2 VAL 8 HG22 VAL 8 0.287 8.450 11.821 75 3HG2 VAL 8 HG23 VAL 8 -0.457 7.696 13.234 76 H ALA 9 HN ALA 9 1.565 3.749 10.816 77 HA ALA 9 HA ALA 9 4.292 3.373 11.615 78 1HB ALA 9 HB1 ALA 9 3.894 1.014 10.714 79 2HB ALA 9 HB2 ALA 9 2.276 1.554 10.290 80 3HB ALA 9 HB3 ALA 9 2.788 1.553 11.977 81 H LEU 10 HN LEU 10 2.739 3.749 8.468 82 HA LEU 10 HA LEU 10 5.133 2.919 6.998 83 1HB LEU 10 HB2 LEU 10 2.392 3.896 6.332 84 2HB LEU 10 HB1 LEU 10 3.635 4.211 5.126 85 HG LEU 10 HG LEU 10 4.232 1.797 5.151 86 1HD1 LEU 10 HD11 LEU 10 2.631 0.235 6.243 87 2HD1 LEU 10 HD12 LEU 10 1.825 1.612 6.985 88 3HD1 LEU 10 HD13 LEU 10 3.495 1.233 7.413 89 1HD2 LEU 10 HD21 LEU 10 1.276 2.250 4.681 90 2HD2 LEU 10 HD22 LEU 10 2.320 1.088 3.858 91 3HD2 LEU 10 HD23 LEU 10 2.531 2.817 3.580 92 H ILE 11 HN ILE 11 3.524 6.065 7.586 93 HA ILE 11 HA ILE 11 5.169 7.756 6.151 94 HB ILE 11 HB ILE 11 3.922 8.127 8.884 95 1HG1 ILE 11 HG12 ILE 11 3.278 9.460 6.248 96 2HG1 ILE 11 HG11 ILE 11 2.556 7.927 6.727 97 1HG2 ILE 11 HG21 ILE 11 5.596 10.048 7.258 98 2HG2 ILE 11 HG22 ILE 11 5.710 9.680 8.984 99 3HG2 ILE 11 HG23 ILE 11 4.355 10.632 8.372 100 1HD1 ILE 11 HD11 ILE 11 1.589 8.938 8.707 101 2HD1 ILE 11 HD12 ILE 11 1.151 9.923 7.312 102 3HD1 ILE 11 HD13 ILE 11 2.439 10.452 8.396 103 H ASP 12 HN ASP 12 5.876 6.253 9.281 104 HA ASP 12 HA ASP 12 8.381 7.624 9.669 105 1HB ASP 12 HB2 ASP 12 7.394 4.958 10.727 106 2HB ASP 12 HB1 ASP 12 8.860 5.768 11.284 107 H VAL 13 HN VAL 13 7.635 4.354 8.463 108 HA VAL 13 HA VAL 13 10.396 3.874 7.701 109 HB VAL 13 HB VAL 13 7.842 2.409 6.947 110 1HG1 VAL 13 HG11 VAL 13 9.474 1.866 5.296 111 2HG1 VAL 13 HG12 VAL 13 9.508 0.545 6.464 112 3HG1 VAL 13 HG13 VAL 13 10.762 1.785 6.498 113 1HG2 VAL 13 HG21 VAL 13 8.902 0.751 8.635 114 2HG2 VAL 13 HG22 VAL 13 8.147 2.205 9.292 115 3HG2 VAL 13 HG23 VAL 13 9.902 2.109 9.143 116 H PHE 14 HN PHE 14 7.610 5.273 6.126 117 HA PHE 14 HA PHE 14 8.670 4.952 3.431 118 1HB PHE 14 HB2 PHE 14 6.384 6.441 4.664 119 2HB PHE 14 HB1 PHE 14 6.947 7.014 3.096 120 HD1 PHE 14 HD1 PHE 14 5.273 6.291 1.577 121 HD2 PHE 14 HD2 PHE 14 6.911 3.533 4.439 122 HE1 PHE 14 HE1 PHE 14 4.100 4.422 0.452 123 HE2 PHE 14 HE2 PHE 14 5.727 1.665 3.312 124 HZ PHE 14 HZ PHE 14 4.328 2.112 1.314 125 H HIS 15 HN HIS 15 8.662 7.683 5.742 126 HA HIS 15 HA HIS 15 10.175 9.358 3.915 127 1HB HIS 15 HB2 HIS 15 8.616 10.034 5.924 128 2HB HIS 15 HB1 HIS 15 10.076 9.845 6.891 129 HD1 HIS 15 HD1 HIS 15 10.960 12.159 7.257 130 HD2 HIS 15 HD2 HIS 15 9.709 11.598 3.322 131 HE1 HIS 15 HE1 HIS 15 11.524 14.293 6.012 132 H GLN 16 HN GLN 16 11.032 7.157 6.563 133 HA GLN 16 HA GLN 16 13.749 8.049 6.839 134 1HB GLN 16 HB2 GLN 16 12.345 5.443 7.444 135 2HB GLN 16 HB1 GLN 16 14.078 5.640 7.717 136 1HG GLN 16 HG2 GLN 16 12.005 7.528 8.861 137 2HG GLN 16 HG1 GLN 16 12.624 6.129 9.738 138 1HE2 GLN 16 HE21 GLN 16 14.831 6.213 10.521 139 2HE2 GLN 16 HE22 GLN 16 15.745 7.640 10.481 140 H TYR 17 HN TYR 17 12.223 5.609 4.756 141 HA TYR 17 HA TYR 17 14.849 5.004 3.505 142 1HB TYR 17 HB2 TYR 17 12.081 3.828 3.304 143 2HB TYR 17 HB1 TYR 17 13.284 3.466 2.071 144 HD1 TYR 17 HD1 TYR 17 14.926 1.820 2.459 145 HD2 TYR 17 HD2 TYR 17 12.746 3.457 5.769 146 HE1 TYR 17 HE1 TYR 17 15.972 0.151 3.962 147 HE2 TYR 17 HE2 TYR 17 13.783 1.783 7.284 148 HH TYR 17 HH TYR 17 16.303 0.338 6.972 149 H SER 18 HN SER 18 11.612 6.005 2.321 150 HA SER 18 HA SER 18 12.487 6.749 -0.262 151 1HB SER 18 HB2 SER 18 10.074 6.647 0.779 152 2HB SER 18 HB1 SER 18 10.361 8.345 1.151 153 HG SER 18 HG SER 18 10.665 7.135 -1.407 154 H GLY 19 HN GLY 19 12.855 8.343 2.819 155 1HA GLY 19 HA2 GLY 19 13.806 10.852 1.535 156 2HA GLY 19 HA1 GLY 19 13.531 10.621 3.258 157 H ARG 20 HN ARG 20 15.166 7.891 2.292 158 HA ARG 20 HA ARG 20 17.609 8.661 3.587 159 1HB ARG 20 HB2 ARG 20 16.763 6.315 3.350 160 2HB ARG 20 HB1 ARG 20 17.104 6.401 1.625 161 1HG ARG 20 HG2 ARG 20 19.516 6.942 2.257 162 2HG ARG 20 HG1 ARG 20 19.083 6.503 3.910 163 1HD ARG 20 HD2 ARG 20 18.239 4.296 2.992 164 2HD ARG 20 HD1 ARG 20 18.974 4.743 1.452 165 HE ARG 20 HE ARG 20 20.403 3.881 3.848 166 1HH1 ARG 20 HH21 ARG 20 20.460 5.630 0.883 167 2HH1 ARG 20 HH22 ARG 20 22.182 5.577 0.728 168 1HH2 ARG 20 HH11 ARG 20 22.654 3.796 3.668 169 2HH2 ARG 20 HH12 ARG 20 23.429 4.537 2.306 170 H GLU 21 HN GLU 21 16.688 8.293 0.175 171 HA GLU 21 HA GLU 21 18.540 10.378 -0.639 172 1HB GLU 21 HB2 GLU 21 19.751 8.736 -2.267 173 2HB GLU 21 HB1 GLU 21 20.270 8.779 -0.584 174 1HG GLU 21 HG2 GLU 21 18.881 6.823 -0.074 175 2HG GLU 21 HG1 GLU 21 18.287 6.792 -1.733 176 H GLY 22 HN GLY 22 18.391 10.746 -3.032 177 1HA GLY 22 HA2 GLY 22 17.277 10.289 -5.165 178 2HA GLY 22 HA1 GLY 22 15.959 9.519 -4.283 179 H ASP 23 HN ASP 23 14.271 10.854 -4.984 180 HA ASP 23 HA ASP 23 14.524 13.766 -4.968 181 1HB ASP 23 HB2 ASP 23 13.035 12.472 -6.543 182 2HB ASP 23 HB1 ASP 23 12.000 12.097 -5.163 183 H LYS 24 HN LYS 24 14.977 12.309 -2.416 184 HA LYS 24 HA LYS 24 14.512 12.656 -0.161 185 1HB LYS 24 HB2 LYS 24 13.875 15.082 -1.433 186 2HB LYS 24 HB1 LYS 24 12.451 14.746 -0.464 187 1HG LYS 24 HG2 LYS 24 15.287 14.696 0.628 188 2HG LYS 24 HG1 LYS 24 14.215 16.093 0.730 189 1HD LYS 24 HD2 LYS 24 12.536 14.635 1.912 190 2HD LYS 24 HD1 LYS 24 13.751 13.353 1.945 191 1HE LYS 24 HE2 LYS 24 13.854 14.531 4.054 192 2HE LYS 24 HE1 LYS 24 15.295 14.948 3.129 193 1HZ LYS 24 HZ1 LYS 24 12.824 16.576 3.372 194 2HZ LYS 24 HZ2 LYS 24 14.144 16.965 2.374 195 3HZ LYS 24 HZ3 LYS 24 14.332 16.926 4.063 196 H HIS 25 HN HIS 25 12.119 11.838 -2.455 197 HA HIS 25 HA HIS 25 10.610 10.390 -0.381 198 1HB HIS 25 HB2 HIS 25 9.033 12.128 -2.278 199 2HB HIS 25 HB1 HIS 25 8.490 11.351 -0.794 200 HD2 HIS 25 HD2 HIS 25 9.871 14.731 -1.938 201 HE1 HIS 25 HE1 HIS 25 10.193 14.693 2.275 202 HE2 HIS 25 HE2 HIS 25 10.326 16.154 0.202 203 H LYS 26 HN LYS 26 12.238 9.291 -2.284 204 HA LYS 26 HA LYS 26 10.256 7.847 -3.962 205 1HB LYS 26 HB2 LYS 26 11.586 9.747 -5.212 206 2HB LYS 26 HB1 LYS 26 12.939 8.623 -5.123 207 1HG LYS 26 HG2 LYS 26 11.664 6.914 -6.302 208 2HG LYS 26 HG1 LYS 26 10.220 7.923 -6.281 209 1HD LYS 26 HD2 LYS 26 12.761 8.959 -7.538 210 2HD LYS 26 HD1 LYS 26 11.709 7.870 -8.441 211 1HE LYS 26 HE2 LYS 26 9.792 9.450 -7.968 212 2HE LYS 26 HE1 LYS 26 10.961 10.568 -7.267 213 1HZ LYS 26 HZ1 LYS 26 10.727 9.666 -10.066 214 2HZ LYS 26 HZ2 LYS 26 12.181 10.317 -9.468 215 3HZ LYS 26 HZ3 LYS 26 10.759 11.250 -9.458 216 H LEU 27 HN LEU 27 10.903 5.649 -4.330 217 HA LEU 27 HA LEU 27 12.999 4.738 -2.425 218 1HB LEU 27 HB2 LEU 27 10.521 3.588 -3.511 219 2HB LEU 27 HB1 LEU 27 11.856 2.448 -3.594 220 HG LEU 27 HG LEU 27 12.277 3.081 -1.088 221 1HD1 LEU 27 HD11 LEU 27 10.202 3.792 0.075 222 2HD1 LEU 27 HD12 LEU 27 9.433 4.042 -1.491 223 3HD1 LEU 27 HD13 LEU 27 10.812 5.033 -1.018 224 1HD2 LEU 27 HD21 LEU 27 10.497 1.451 -0.397 225 2HD2 LEU 27 HD22 LEU 27 11.500 0.901 -1.740 226 3HD2 LEU 27 HD23 LEU 27 9.879 1.517 -2.047 227 H LYS 28 HN LYS 28 14.876 4.015 -3.039 228 HA LYS 28 HA LYS 28 15.411 3.425 -5.939 229 1HB LYS 28 HB2 LYS 28 17.675 3.920 -4.029 230 2HB LYS 28 HB1 LYS 28 17.540 4.312 -5.743 231 1HG LYS 28 HG2 LYS 28 15.626 5.971 -4.815 232 2HG LYS 28 HG1 LYS 28 16.608 5.864 -3.355 233 1HD LYS 28 HD2 LYS 28 17.523 6.739 -6.104 234 2HD LYS 28 HD1 LYS 28 17.408 7.735 -4.658 235 1HE LYS 28 HE2 LYS 28 19.649 7.246 -4.489 236 2HE LYS 28 HE1 LYS 28 19.060 5.763 -3.744 237 1HZ LYS 28 HZ1 LYS 28 20.349 6.155 -6.271 238 2HZ LYS 28 HZ2 LYS 28 18.928 5.238 -6.407 239 3HZ LYS 28 HZ3 LYS 28 20.169 4.739 -5.360 240 H LYS 29 HN LYS 29 16.923 1.544 -6.277 241 HA LYS 29 HA LYS 29 16.144 -0.792 -4.991 242 1HB LYS 29 HB2 LYS 29 18.885 -0.134 -6.113 243 2HB LYS 29 HB1 LYS 29 18.359 -1.757 -5.668 244 1HG LYS 29 HG2 LYS 29 16.327 -1.261 -7.256 245 2HG LYS 29 HG1 LYS 29 17.372 0.001 -7.908 246 1HD LYS 29 HD2 LYS 29 19.164 -1.872 -8.096 247 2HD LYS 29 HD1 LYS 29 17.811 -2.988 -7.883 248 1HE LYS 29 HE2 LYS 29 18.192 -0.950 -10.087 249 2HE LYS 29 HE1 LYS 29 18.085 -2.705 -10.251 250 1HZ LYS 29 HZ1 LYS 29 15.933 -2.262 -10.668 251 2HZ LYS 29 HZ2 LYS 29 15.982 -0.737 -9.919 252 3HZ LYS 29 HZ3 LYS 29 15.797 -2.141 -8.981 253 H SER 30 HN SER 30 18.929 1.254 -4.073 254 HA SER 30 HA SER 30 19.857 -0.257 -1.894 255 1HB SER 30 HB2 SER 30 19.793 2.703 -2.441 256 2HB SER 30 HB1 SER 30 20.406 2.111 -0.900 257 HG SER 30 HG SER 30 21.325 1.512 -3.516 258 H GLU 31 HN GLU 31 16.880 1.443 -2.253 259 HA GLU 31 HA GLU 31 16.345 1.380 0.686 260 1HB GLU 31 HB2 GLU 31 14.677 2.504 -1.592 261 2HB GLU 31 HB1 GLU 31 14.353 2.692 0.131 262 1HG GLU 31 HG2 GLU 31 16.624 3.785 0.348 263 2HG GLU 31 HG1 GLU 31 16.720 3.777 -1.412 264 H LEU 32 HN LEU 32 15.434 -0.168 -2.328 265 HA LEU 32 HA LEU 32 13.172 -1.548 -1.114 266 1HB LEU 32 HB2 LEU 32 13.857 -0.941 -3.695 267 2HB LEU 32 HB1 LEU 32 14.350 -2.623 -3.627 268 HG LEU 32 HG LEU 32 11.596 -1.625 -2.827 269 1HD1 LEU 32 HD11 LEU 32 11.866 -1.256 -5.194 270 2HD1 LEU 32 HD12 LEU 32 10.917 -2.727 -5.001 271 3HD1 LEU 32 HD13 LEU 32 12.627 -2.829 -5.410 272 1HD2 LEU 32 HD21 LEU 32 12.148 -3.715 -1.749 273 2HD2 LEU 32 HD22 LEU 32 12.807 -4.371 -3.248 274 3HD2 LEU 32 HD23 LEU 32 11.074 -4.082 -3.100 275 H LYS 33 HN LYS 33 16.379 -2.628 -2.281 276 HA LYS 33 HA LYS 33 16.071 -5.255 -1.165 277 1HB LYS 33 HB2 LYS 33 17.627 -4.669 -2.986 278 2HB LYS 33 HB1 LYS 33 18.557 -3.678 -1.866 279 1HG LYS 33 HG2 LYS 33 18.880 -5.778 -0.457 280 2HG LYS 33 HG1 LYS 33 18.183 -6.680 -1.799 281 1HD LYS 33 HD2 LYS 33 20.385 -6.801 -2.480 282 2HD LYS 33 HD1 LYS 33 20.017 -5.220 -3.173 283 1HE LYS 33 HE2 LYS 33 20.811 -4.189 -1.003 284 2HE LYS 33 HE1 LYS 33 21.363 -5.789 -0.515 285 1HZ LYS 33 HZ1 LYS 33 23.213 -4.779 -1.494 286 2HZ LYS 33 HZ2 LYS 33 22.309 -4.136 -2.779 287 3HZ LYS 33 HZ3 LYS 33 22.614 -5.804 -2.704 288 H GLU 34 HN GLU 34 17.392 -2.211 0.069 289 HA GLU 34 HA GLU 34 18.440 -3.475 2.490 290 1HB GLU 34 HB2 GLU 34 19.289 -1.285 1.497 291 2HB GLU 34 HB1 GLU 34 17.840 -0.536 2.174 292 1HG GLU 34 HG2 GLU 34 19.580 -0.250 3.803 293 2HG GLU 34 HG1 GLU 34 18.509 -1.512 4.417 294 H LEU 35 HN LEU 35 15.411 -1.929 1.587 295 HA LEU 35 HA LEU 35 14.436 -1.770 4.321 296 1HB LEU 35 HB2 LEU 35 13.430 -0.308 2.651 297 2HB LEU 35 HB1 LEU 35 12.993 -1.697 1.648 298 HG LEU 35 HG LEU 35 11.443 -2.498 3.368 299 1HD1 LEU 35 HD11 LEU 35 11.001 -0.830 5.306 300 2HD1 LEU 35 HD12 LEU 35 12.599 -0.191 4.930 301 3HD1 LEU 35 HD13 LEU 35 12.413 -1.873 5.423 302 1HD2 LEU 35 HD21 LEU 35 9.767 -0.817 3.149 303 2HD2 LEU 35 HD22 LEU 35 10.747 -0.736 1.681 304 3HD2 LEU 35 HD23 LEU 35 10.973 0.457 2.960 305 H ILE 36 HN ILE 36 14.329 -4.129 1.713 306 HA ILE 36 HA ILE 36 12.379 -5.882 2.882 307 HB ILE 36 HB ILE 36 14.571 -6.293 0.848 308 1HG1 ILE 36 HG12 ILE 36 11.569 -6.413 0.496 309 2HG1 ILE 36 HG11 ILE 36 12.454 -4.893 0.393 310 1HG2 ILE 36 HG21 ILE 36 12.566 -8.246 1.974 311 2HG2 ILE 36 HG22 ILE 36 14.304 -8.463 1.758 312 3HG2 ILE 36 HG23 ILE 36 13.235 -8.438 0.353 313 1HD1 ILE 36 HD11 ILE 36 12.062 -6.196 -1.811 314 2HD1 ILE 36 HD12 ILE 36 13.306 -7.297 -1.220 315 3HD1 ILE 36 HD13 ILE 36 13.691 -5.599 -1.493 316 H ASN 37 HN ASN 37 15.920 -5.750 3.063 317 HA ASN 37 HA ASN 37 16.053 -8.106 4.792 318 1HB ASN 37 HB2 ASN 37 17.888 -7.598 3.243 319 2HB ASN 37 HB1 ASN 37 18.187 -6.078 4.083 320 1HD2 ASN 37 HD21 ASN 37 19.015 -6.207 6.324 321 2HD2 ASN 37 HD22 ASN 37 19.771 -7.622 6.881 322 H ASN 38 HN ASN 38 15.780 -4.659 5.316 323 HA ASN 38 HA ASN 38 16.785 -4.859 8.083 324 1HB ASN 38 HB2 ASN 38 17.072 -2.863 6.489 325 2HB ASN 38 HB1 ASN 38 15.392 -2.477 6.858 326 1HD2 ASN 38 HD21 ASN 38 18.600 -2.928 8.364 327 2HD2 ASN 38 HD22 ASN 38 18.264 -2.002 9.745 328 H GLU 39 HN GLU 39 13.602 -4.137 6.576 329 HA GLU 39 HA GLU 39 12.343 -4.459 9.284 330 1HB GLU 39 HB2 GLU 39 11.142 -3.294 6.761 331 2HB GLU 39 HB1 GLU 39 10.457 -3.243 8.384 332 1HG GLU 39 HG2 GLU 39 13.126 -2.009 7.639 333 2HG GLU 39 HG1 GLU 39 11.611 -1.107 7.722 334 H LEU 40 HN LEU 40 11.868 -5.470 5.875 335 HA LEU 40 HA LEU 40 9.876 -7.459 6.769 336 1HB LEU 40 HB2 LEU 40 10.890 -7.449 3.949 337 2HB LEU 40 HB1 LEU 40 9.247 -7.641 4.551 338 HG LEU 40 HG LEU 40 10.799 -5.026 4.483 339 1HD1 LEU 40 HD11 LEU 40 10.046 -5.996 2.267 340 2HD1 LEU 40 HD12 LEU 40 9.362 -4.414 2.656 341 3HD1 LEU 40 HD13 LEU 40 8.388 -5.871 2.858 342 1HD2 LEU 40 HD21 LEU 40 7.965 -5.717 5.330 343 2HD2 LEU 40 HD22 LEU 40 8.503 -4.071 4.991 344 3HD2 LEU 40 HD23 LEU 40 9.223 -4.978 6.322 345 H SER 41 HN SER 41 12.661 -7.744 7.704 346 HA SER 41 HA SER 41 13.717 -10.049 6.193 347 1HB SER 41 HB2 SER 41 15.601 -9.063 7.025 348 2HB SER 41 HB1 SER 41 14.704 -8.221 8.282 349 HG SER 41 HG SER 41 15.915 -10.739 8.301 350 H HIS 42 HN HIS 42 11.525 -9.548 8.811 351 HA HIS 42 HA HIS 42 12.027 -12.249 9.939 352 1HB HIS 42 HB2 HIS 42 10.122 -10.031 10.747 353 2HB HIS 42 HB1 HIS 42 10.291 -11.569 11.599 354 HD1 HIS 42 HD1 HIS 42 11.354 -8.301 12.070 355 HD2 HIS 42 HD2 HIS 42 13.456 -11.904 11.927 356 HE1 HIS 42 HE1 HIS 42 13.573 -7.889 13.231 357 HE2 HIS 42 HE2 HIS 42 14.858 -10.076 13.149 358 H PHE 43 HN PHE 43 9.680 -10.521 7.950 359 HA PHE 43 HA PHE 43 7.943 -12.959 7.882 360 1HB PHE 43 HB2 PHE 43 7.450 -10.094 7.011 361 2HB PHE 43 HB1 PHE 43 6.323 -11.415 6.715 362 HD1 PHE 43 HD1 PHE 43 7.796 -9.210 9.251 363 HD2 PHE 43 HD2 PHE 43 5.153 -12.531 8.584 364 HE1 PHE 43 HE1 PHE 43 6.878 -8.939 11.532 365 HE2 PHE 43 HE2 PHE 43 4.233 -12.250 10.873 366 HZ PHE 43 HZ PHE 43 5.100 -10.454 12.342 367 H LEU 44 HN LEU 44 9.186 -10.501 5.577 368 HA LEU 44 HA LEU 44 8.908 -12.390 3.361 369 1HB LEU 44 HB2 LEU 44 8.537 -10.014 2.953 370 2HB LEU 44 HB1 LEU 44 10.144 -9.631 3.547 371 HG LEU 44 HG LEU 44 11.166 -10.850 1.688 372 1HD1 LEU 44 HD11 LEU 44 9.422 -11.516 -0.193 373 2HD1 LEU 44 HD12 LEU 44 8.313 -11.650 1.172 374 3HD1 LEU 44 HD13 LEU 44 9.775 -12.632 1.124 375 1HD2 LEU 44 HD21 LEU 44 10.193 -8.406 1.508 376 2HD2 LEU 44 HD22 LEU 44 9.036 -9.150 0.403 377 3HD2 LEU 44 HD23 LEU 44 10.765 -9.223 0.052 378 H GLU 45 HN GLU 45 10.571 -13.601 2.461 379 HA GLU 45 HA GLU 45 12.756 -14.455 3.969 380 1HB GLU 45 HB2 GLU 45 12.703 -14.238 0.944 381 2HB GLU 45 HB1 GLU 45 13.704 -15.330 1.902 382 1HG GLU 45 HG2 GLU 45 11.671 -16.402 2.808 383 2HG GLU 45 HG1 GLU 45 10.670 -15.335 1.819 384 H GLU 46 HN GLU 46 14.706 -13.572 4.523 385 HA GLU 46 HA GLU 46 15.347 -10.864 3.981 386 1HB GLU 46 HB2 GLU 46 17.751 -11.649 4.656 387 2HB GLU 46 HB1 GLU 46 16.458 -11.761 5.851 388 1HG GLU 46 HG2 GLU 46 16.195 -14.109 5.496 389 2HG GLU 46 HG1 GLU 46 17.174 -14.065 4.028 390 H ILE 47 HN ILE 47 15.068 -10.654 1.668 391 HA ILE 47 HA ILE 47 16.468 -12.130 -0.295 392 HB ILE 47 HB ILE 47 15.267 -9.385 -0.154 393 1HG1 ILE 47 HG12 ILE 47 14.932 -11.674 -2.105 394 2HG1 ILE 47 HG11 ILE 47 13.954 -11.449 -0.667 395 1HG2 ILE 47 HG21 ILE 47 15.942 -9.062 -2.597 396 2HG2 ILE 47 HG22 ILE 47 17.180 -10.283 -2.300 397 3HG2 ILE 47 HG23 ILE 47 17.187 -8.778 -1.386 398 1HD1 ILE 47 HD11 ILE 47 14.111 -9.091 -2.485 399 2HD1 ILE 47 HD12 ILE 47 12.739 -9.743 -1.592 400 3HD1 ILE 47 HD13 ILE 47 13.242 -10.496 -3.102 401 H LYS 48 HN LYS 48 18.574 -12.219 -0.834 402 HA LYS 48 HA LYS 48 20.456 -10.184 0.320 403 1HB LYS 48 HB2 LYS 48 20.806 -13.139 -0.253 404 2HB LYS 48 HB1 LYS 48 22.166 -12.062 0.054 405 1HG LYS 48 HG2 LYS 48 19.876 -12.088 2.017 406 2HG LYS 48 HG1 LYS 48 21.036 -13.412 2.051 407 1HD LYS 48 HD2 LYS 48 22.879 -11.863 2.387 408 2HD LYS 48 HD1 LYS 48 21.801 -10.479 2.205 409 1HE LYS 48 HE2 LYS 48 22.143 -10.826 4.568 410 2HE LYS 48 HE1 LYS 48 20.502 -11.350 4.194 411 1HZ LYS 48 HZ1 LYS 48 22.786 -12.903 5.053 412 2HZ LYS 48 HZ2 LYS 48 21.896 -13.604 3.784 413 3HZ LYS 48 HZ3 LYS 48 21.131 -13.212 5.251 414 H GLU 49 HN GLU 49 19.206 -11.684 -2.521 415 HA GLU 49 HA GLU 49 21.445 -10.634 -4.205 416 1HB GLU 49 HB2 GLU 49 20.073 -11.894 -6.027 417 2HB GLU 49 HB1 GLU 49 20.970 -12.853 -4.849 418 1HG GLU 49 HG2 GLU 49 18.984 -13.259 -3.549 419 2HG GLU 49 HG1 GLU 49 18.058 -12.096 -4.502 420 H GLN 50 HN GLN 50 20.943 -9.210 -5.981 421 HA GLN 50 HA GLN 50 18.580 -7.493 -5.454 422 1HB GLN 50 HB2 GLN 50 19.702 -6.041 -7.228 423 2HB GLN 50 HB1 GLN 50 20.613 -6.271 -5.736 424 1HG GLN 50 HG2 GLN 50 22.044 -7.904 -6.756 425 2HG GLN 50 HG1 GLN 50 21.003 -8.018 -8.176 426 1HE2 GLN 50 HE21 GLN 50 21.435 -4.826 -6.882 427 2HE2 GLN 50 HE22 GLN 50 22.525 -4.268 -8.059 428 H GLU 51 HN GLU 51 19.795 -9.722 -7.884 429 HA GLU 51 HA GLU 51 18.370 -9.061 -10.141 430 1HB GLU 51 HB2 GLU 51 18.760 -11.837 -8.985 431 2HB GLU 51 HB1 GLU 51 18.240 -11.506 -10.640 432 1HG GLU 51 HG2 GLU 51 20.332 -10.144 -10.954 433 2HG GLU 51 HG1 GLU 51 20.874 -10.700 -9.369 434 H VAL 52 HN VAL 52 17.061 -10.471 -7.192 435 HA VAL 52 HA VAL 52 14.444 -10.907 -8.381 436 HB VAL 52 HB VAL 52 13.696 -11.182 -5.994 437 1HG1 VAL 52 HG11 VAL 52 16.155 -12.680 -6.938 438 2HG1 VAL 52 HG12 VAL 52 14.467 -13.150 -7.140 439 3HG1 VAL 52 HG13 VAL 52 15.203 -13.173 -5.535 440 1HG2 VAL 52 HG21 VAL 52 16.605 -10.487 -5.478 441 2HG2 VAL 52 HG22 VAL 52 15.548 -11.230 -4.283 442 3HG2 VAL 52 HG23 VAL 52 15.187 -9.617 -4.895 443 H VAL 53 HN VAL 53 16.037 -8.379 -6.531 444 HA VAL 53 HA VAL 53 13.671 -6.774 -6.262 445 HB VAL 53 HB VAL 53 16.314 -6.630 -5.333 446 1HG1 VAL 53 HG11 VAL 53 16.907 -5.417 -7.468 447 2HG1 VAL 53 HG12 VAL 53 17.231 -4.512 -5.988 448 3HG1 VAL 53 HG13 VAL 53 15.804 -4.134 -6.960 449 1HG2 VAL 53 HG21 VAL 53 15.522 -4.507 -4.221 450 2HG2 VAL 53 HG22 VAL 53 14.463 -5.904 -4.011 451 3HG2 VAL 53 HG23 VAL 53 14.051 -4.651 -5.181 452 H ASP 54 HN ASP 54 15.864 -7.484 -8.811 453 HA ASP 54 HA ASP 54 15.089 -5.181 -10.461 454 1HB ASP 54 HB2 ASP 54 16.459 -7.788 -11.211 455 2HB ASP 54 HB1 ASP 54 16.261 -6.401 -12.282 456 H LYS 55 HN LYS 55 14.137 -8.534 -9.965 457 HA LYS 55 HA LYS 55 12.248 -8.538 -12.205 458 1HB LYS 55 HB2 LYS 55 13.190 -10.651 -11.565 459 2HB LYS 55 HB1 LYS 55 12.716 -10.429 -9.887 460 1HG LYS 55 HG2 LYS 55 10.478 -10.308 -11.861 461 2HG LYS 55 HG1 LYS 55 11.254 -11.882 -11.706 462 1HD LYS 55 HD2 LYS 55 10.629 -12.135 -9.472 463 2HD LYS 55 HD1 LYS 55 10.486 -10.402 -9.201 464 1HE LYS 55 HE2 LYS 55 8.471 -10.365 -10.661 465 2HE LYS 55 HE1 LYS 55 8.587 -12.118 -10.834 466 1HZ LYS 55 HZ1 LYS 55 7.087 -11.098 -9.003 467 2HZ LYS 55 HZ2 LYS 55 8.545 -10.911 -8.152 468 3HZ LYS 55 HZ3 LYS 55 8.038 -12.457 -8.642 469 H VAL 56 HN VAL 56 11.914 -8.421 -8.627 470 HA VAL 56 HA VAL 56 9.110 -8.215 -8.529 471 HB VAL 56 HB VAL 56 10.928 -8.298 -6.600 472 1HG1 VAL 56 HG11 VAL 56 11.776 -5.967 -7.256 473 2HG1 VAL 56 HG12 VAL 56 11.439 -6.222 -5.546 474 3HG1 VAL 56 HG13 VAL 56 10.287 -5.343 -6.551 475 1HG2 VAL 56 HG21 VAL 56 8.526 -8.514 -6.215 476 2HG2 VAL 56 HG22 VAL 56 8.329 -6.765 -6.346 477 3HG2 VAL 56 HG23 VAL 56 9.239 -7.453 -5.000 478 H MET 57 HN MET 57 11.572 -5.745 -9.082 479 HA MET 57 HA MET 57 9.857 -3.475 -9.126 480 1HB MET 57 HB2 MET 57 12.446 -4.107 -10.556 481 2HB MET 57 HB1 MET 57 11.653 -2.536 -10.695 482 1HG MET 57 HG2 MET 57 12.140 -3.685 -7.956 483 2HG MET 57 HG1 MET 57 13.476 -2.930 -8.823 484 1HE MET 57 HE1 MET 57 13.683 -0.453 -9.383 485 2HE MET 57 HE2 MET 57 14.045 -0.894 -7.712 486 3HE MET 57 HE3 MET 57 13.154 0.591 -8.054 487 H GLU 58 HN GLU 58 10.507 -5.959 -11.529 488 HA GLU 58 HA GLU 58 9.290 -4.635 -13.767 489 1HB GLU 58 HB2 GLU 58 10.740 -6.703 -13.903 490 2HB GLU 58 HB1 GLU 58 9.390 -7.628 -13.239 491 1HG GLU 58 HG2 GLU 58 8.966 -5.897 -15.671 492 2HG GLU 58 HG1 GLU 58 9.683 -7.495 -15.839 493 H THR 59 HN THR 59 8.024 -6.657 -11.174 494 HA THR 59 HA THR 59 5.323 -6.686 -12.310 495 HB THR 59 HB THR 59 6.131 -7.404 -9.483 496 HG1 THR 59 HG1 THR 59 6.642 -8.626 -11.877 497 1HG2 THR 59 HG21 THR 59 3.737 -7.196 -9.822 498 2HG2 THR 59 HG22 THR 59 4.149 -8.908 -9.709 499 3HG2 THR 59 HG23 THR 59 3.826 -8.180 -11.286 500 H LEU 60 HN LEU 60 7.103 -4.829 -9.899 501 HA LEU 60 HA LEU 60 4.618 -3.394 -9.110 502 1HB LEU 60 HB2 LEU 60 7.426 -3.541 -8.051 503 2HB LEU 60 HB1 LEU 60 6.416 -2.169 -7.604 504 HG LEU 60 HG LEU 60 6.302 -4.066 -5.981 505 1HD1 LEU 60 HD11 LEU 60 3.543 -3.977 -7.135 506 2HD1 LEU 60 HD12 LEU 60 4.282 -2.426 -6.745 507 3HD1 LEU 60 HD13 LEU 60 4.096 -3.650 -5.494 508 1HD2 LEU 60 HD21 LEU 60 6.517 -5.844 -7.768 509 2HD2 LEU 60 HD22 LEU 60 4.832 -5.527 -8.194 510 3HD2 LEU 60 HD23 LEU 60 5.238 -6.140 -6.592 511 H ASP 61 HN ASP 61 7.843 -2.479 -10.537 512 HA ASP 61 HA ASP 61 7.228 0.274 -10.839 513 1HB ASP 61 HB2 ASP 61 9.450 -0.889 -11.208 514 2HB ASP 61 HB1 ASP 61 8.833 -1.379 -12.790 515 H GLU 62 HN GLU 62 5.335 0.855 -11.596 516 HA GLU 62 HA GLU 62 4.157 -0.471 -13.956 517 1HB GLU 62 HB2 GLU 62 2.165 0.828 -13.454 518 2HB GLU 62 HB1 GLU 62 2.764 0.119 -11.954 519 1HG GLU 62 HG2 GLU 62 4.049 2.333 -11.632 520 2HG GLU 62 HG1 GLU 62 3.007 2.977 -12.901 521 H ASP 63 HN ASP 63 5.291 2.733 -12.966 522 HA ASP 63 HA ASP 63 4.878 3.843 -15.625 523 1HB ASP 63 HB2 ASP 63 6.487 5.656 -14.617 524 2HB ASP 63 HB1 ASP 63 4.868 5.491 -13.938 525 H GLY 64 HN GLY 64 6.990 1.590 -14.352 526 1HA GLY 64 HA2 GLY 64 9.026 0.719 -15.172 527 2HA GLY 64 HA1 GLY 64 8.604 1.496 -16.702 528 H ASP 65 HN ASP 65 9.192 2.945 -13.509 529 HA ASP 65 HA ASP 65 11.104 4.824 -14.818 530 1HB ASP 65 HB2 ASP 65 10.948 6.030 -12.602 531 2HB ASP 65 HB1 ASP 65 9.414 5.899 -13.463 532 H GLY 66 HN GLY 66 11.196 1.901 -13.224 533 1HA GLY 66 HA2 GLY 66 13.095 0.706 -12.454 534 2HA GLY 66 HA1 GLY 66 14.082 2.130 -12.799 535 H GLU 67 HN GLU 67 11.508 3.223 -11.135 536 HA GLU 67 HA GLU 67 12.792 2.863 -8.451 537 1HB GLU 67 HB2 GLU 67 11.619 5.356 -9.720 538 2HB GLU 67 HB1 GLU 67 11.936 5.210 -7.989 539 1HG GLU 67 HG2 GLU 67 14.273 4.979 -8.323 540 2HG GLU 67 HG1 GLU 67 14.082 4.639 -10.042 541 H CYS 68 HN CYS 68 11.093 3.407 -6.694 542 HA CYS 68 HA CYS 68 8.394 2.399 -7.556 543 1HB CYS 68 HB2 CYS 68 10.011 1.738 -5.089 544 2HB CYS 68 HB1 CYS 68 8.286 1.406 -5.223 545 HG CYS 68 HG CYS 68 9.822 -0.657 -6.070 546 H ASP 69 HN ASP 69 7.527 4.502 -7.681 547 HA ASP 69 HA ASP 69 7.750 6.593 -5.851 548 1HB ASP 69 HB2 ASP 69 6.485 6.745 -7.963 549 2HB ASP 69 HB1 ASP 69 5.253 5.670 -7.306 550 H PHE 70 HN PHE 70 5.682 7.215 -4.355 551 HA PHE 70 HA PHE 70 5.689 5.240 -2.249 552 1HB PHE 70 HB2 PHE 70 3.794 6.949 -1.408 553 2HB PHE 70 HB1 PHE 70 5.508 7.324 -1.300 554 HD1 PHE 70 HD1 PHE 70 6.315 9.291 -2.281 555 HD2 PHE 70 HD2 PHE 70 2.624 7.617 -3.694 556 HE1 PHE 70 HE1 PHE 70 5.994 11.248 -3.773 557 HE2 PHE 70 HE2 PHE 70 2.303 9.568 -5.181 558 HZ PHE 70 HZ PHE 70 3.985 11.385 -5.224 559 H GLN 71 HN GLN 71 3.418 6.007 -4.829 560 HA GLN 71 HA GLN 71 1.185 4.629 -3.639 561 1HB GLN 71 HB2 GLN 71 0.168 4.795 -5.908 562 2HB GLN 71 HB1 GLN 71 0.755 6.333 -5.292 563 1HG GLN 71 HG2 GLN 71 1.589 6.349 -7.479 564 2HG GLN 71 HG1 GLN 71 2.963 5.719 -6.575 565 1HE2 GLN 71 HE21 GLN 71 3.267 4.904 -9.025 566 2HE2 GLN 71 HE22 GLN 71 2.672 3.344 -9.327 567 H GLU 72 HN GLU 72 3.730 3.591 -5.935 568 HA GLU 72 HA GLU 72 2.442 0.925 -6.091 569 1HB GLU 72 HB2 GLU 72 4.055 0.386 -7.760 570 2HB GLU 72 HB1 GLU 72 3.512 2.027 -8.099 571 1HG GLU 72 HG2 GLU 72 5.614 2.649 -6.547 572 2HG GLU 72 HG1 GLU 72 6.175 1.067 -7.093 573 H PHE 73 HN PHE 73 5.238 2.535 -4.661 574 HA PHE 73 HA PHE 73 6.670 0.328 -3.699 575 1HB PHE 73 HB2 PHE 73 7.579 2.512 -3.301 576 2HB PHE 73 HB1 PHE 73 6.095 3.039 -2.532 577 HD1 PHE 73 HD1 PHE 73 7.119 3.860 -0.549 578 HD2 PHE 73 HD2 PHE 73 7.671 -0.239 -1.732 579 HE1 PHE 73 HE1 PHE 73 8.067 3.343 1.679 580 HE2 PHE 73 HE2 PHE 73 8.622 -0.747 0.496 581 HZ PHE 73 HZ PHE 73 8.825 1.056 2.187 582 H MET 74 HN MET 74 3.856 1.952 -2.301 583 HA MET 74 HA MET 74 3.609 0.259 -0.017 584 1HB MET 74 HB2 MET 74 2.339 2.477 -0.915 585 2HB MET 74 HB1 MET 74 1.143 1.281 -1.385 586 1HG MET 74 HG2 MET 74 1.572 0.443 1.142 587 2HG MET 74 HG1 MET 74 2.006 2.136 1.349 588 1HE MET 74 HE1 MET 74 -1.530 1.729 2.826 589 2HE MET 74 HE2 MET 74 -0.208 2.887 2.948 590 3HE MET 74 HE3 MET 74 0.129 1.154 3.009 591 H ALA 75 HN ALA 75 2.282 0.131 -3.282 592 HA ALA 75 HA ALA 75 0.735 -2.217 -3.059 593 1HB ALA 75 HB1 ALA 75 2.476 -1.736 -5.475 594 2HB ALA 75 HB2 ALA 75 1.077 -0.723 -5.134 595 3HB ALA 75 HB3 ALA 75 0.869 -2.453 -5.413 596 H PHE 76 HN PHE 76 4.157 -1.916 -2.860 597 HA PHE 76 HA PHE 76 4.702 -4.728 -3.475 598 1HB PHE 76 HB2 PHE 76 6.553 -3.213 -3.785 599 2HB PHE 76 HB1 PHE 76 6.398 -2.603 -2.146 600 HD1 PHE 76 HD1 PHE 76 6.648 -5.976 -3.777 601 HD2 PHE 76 HD2 PHE 76 8.034 -3.352 -0.664 602 HE1 PHE 76 HE1 PHE 76 8.174 -7.748 -2.955 603 HE2 PHE 76 HE2 PHE 76 9.557 -5.121 0.153 604 HZ PHE 76 HZ PHE 76 9.629 -7.322 -0.989 605 H VAL 77 HN VAL 77 4.596 -2.840 -0.438 606 HA VAL 77 HA VAL 77 4.972 -5.017 1.339 607 HB VAL 77 HB VAL 77 3.400 -2.442 1.597 608 1HG1 VAL 77 HG11 VAL 77 3.474 -2.947 4.088 609 2HG1 VAL 77 HG12 VAL 77 3.905 -4.599 3.656 610 3HG1 VAL 77 HG13 VAL 77 2.351 -3.940 3.162 611 1HG2 VAL 77 HG21 VAL 77 5.966 -3.329 2.935 612 2HG2 VAL 77 HG22 VAL 77 5.269 -1.710 2.919 613 3HG2 VAL 77 HG23 VAL 77 5.921 -2.404 1.432 614 H SER 78 HN SER 78 2.051 -3.852 -0.302 615 HA SER 78 HA SER 78 0.217 -5.541 1.091 616 1HB SER 78 HB2 SER 78 -1.087 -4.051 -0.014 617 2HB SER 78 HB1 SER 78 0.137 -3.764 -1.240 618 HG SER 78 HG SER 78 -1.277 -6.200 -1.169 619 H MET 79 HN MET 79 2.303 -5.984 -1.656 620 HA MET 79 HA MET 79 1.091 -8.462 -2.524 621 1HB MET 79 HB2 MET 79 2.550 -6.970 -3.956 622 2HB MET 79 HB1 MET 79 3.930 -7.506 -3.003 623 1HG MET 79 HG2 MET 79 3.973 -9.586 -4.000 624 2HG MET 79 HG1 MET 79 2.219 -9.681 -4.134 625 1HE MET 79 HE1 MET 79 5.115 -9.927 -6.271 626 2HE MET 79 HE2 MET 79 5.516 -8.395 -5.493 627 3HE MET 79 HE3 MET 79 5.241 -8.447 -7.232 628 H VAL 80 HN VAL 80 3.352 -7.469 -0.137 629 HA VAL 80 HA VAL 80 4.290 -10.201 0.450 630 HB VAL 80 HB VAL 80 4.743 -7.569 1.912 631 1HG1 VAL 80 HG11 VAL 80 6.540 -8.788 3.082 632 2HG1 VAL 80 HG12 VAL 80 6.089 -10.269 2.240 633 3HG1 VAL 80 HG13 VAL 80 4.975 -9.534 3.392 634 1HG2 VAL 80 HG21 VAL 80 6.697 -9.127 0.202 635 2HG2 VAL 80 HG22 VAL 80 6.900 -7.507 0.871 636 3HG2 VAL 80 HG23 VAL 80 5.731 -7.789 -0.420 637 H THR 81 HN THR 81 2.089 -7.710 1.613 638 HA THR 81 HA THR 81 1.375 -9.130 4.033 639 HB THR 81 HB THR 81 -0.376 -7.143 2.581 640 HG1 THR 81 HG1 THR 81 2.030 -6.627 2.992 641 1HG2 THR 81 HG21 THR 81 0.094 -7.815 5.490 642 2HG2 THR 81 HG22 THR 81 -1.346 -8.168 4.536 643 3HG2 THR 81 HG23 THR 81 -0.932 -6.494 4.920 644 H THR 82 HN THR 82 0.160 -8.991 0.687 645 HA THR 82 HA THR 82 -2.282 -10.399 1.187 646 HB THR 82 HB THR 82 -2.045 -10.967 -1.302 647 HG1 THR 82 HG1 THR 82 -0.222 -10.483 -2.224 648 1HG2 THR 82 HG21 THR 82 -2.120 -8.247 -0.042 649 2HG2 THR 82 HG22 THR 82 -3.347 -9.083 -0.993 650 3HG2 THR 82 HG23 THR 82 -1.962 -8.338 -1.795 651 H ALA 83 HN ALA 83 1.002 -11.591 0.370 652 HA ALA 83 HA ALA 83 0.215 -14.324 0.044 653 1HB ALA 83 HB1 ALA 83 2.578 -14.827 0.294 654 2HB ALA 83 HB2 ALA 83 2.869 -13.271 1.073 655 3HB ALA 83 HB3 ALA 83 2.438 -13.334 -0.635 656 H CYS 84 HN CYS 84 1.200 -12.382 2.832 657 HA CYS 84 HA CYS 84 1.263 -14.560 4.724 658 1HB CYS 84 HB2 CYS 84 2.307 -12.389 5.217 659 2HB CYS 84 HB1 CYS 84 0.727 -11.607 5.160 660 HG CYS 84 HG CYS 84 1.329 -13.820 7.285 661 H HIS 85 HN HIS 85 -1.283 -12.877 3.165 662 HA HIS 85 HA HIS 85 -3.298 -13.781 5.182 663 1HB HIS 85 HB2 HIS 85 -3.728 -11.530 4.731 664 2HB HIS 85 HB1 HIS 85 -3.217 -11.657 3.053 665 HD1 HIS 85 HD1 HIS 85 -5.291 -10.932 1.832 666 HD2 HIS 85 HD2 HIS 85 -6.123 -13.836 4.705 667 HE1 HIS 85 HE1 HIS 85 -7.725 -11.556 1.531 668 H GLU 86 HN GLU 86 -2.374 -14.099 1.767 669 HA GLU 86 HA GLU 86 -4.686 -15.718 1.091 670 1HB GLU 86 HB2 GLU 86 -3.499 -14.359 -0.591 671 2HB GLU 86 HB1 GLU 86 -2.058 -15.356 -0.376 672 1HG GLU 86 HG2 GLU 86 -3.126 -17.277 -1.282 673 2HG GLU 86 HG1 GLU 86 -4.729 -16.551 -1.135 674 H PHE 87 HN PHE 87 -1.258 -16.492 1.706 675 HA PHE 87 HA PHE 87 -1.569 -19.305 1.262 676 1HB PHE 87 HB2 PHE 87 0.467 -17.627 2.721 677 2HB PHE 87 HB1 PHE 87 0.550 -19.387 2.797 678 HD1 PHE 87 HD1 PHE 87 -0.066 -16.734 0.203 679 HD2 PHE 87 HD2 PHE 87 1.911 -20.418 1.199 680 HE1 PHE 87 HE1 PHE 87 0.979 -16.778 -2.047 681 HE2 PHE 87 HE2 PHE 87 2.954 -20.462 -1.051 682 HZ PHE 87 HZ PHE 87 2.489 -18.645 -2.674 683 H PHE 88 HN PHE 88 -1.814 -17.347 4.236 684 HA PHE 88 HA PHE 88 -2.438 -19.754 5.819 685 1HB PHE 88 HB2 PHE 88 -2.338 -16.805 6.502 686 2HB PHE 88 HB1 PHE 88 -2.761 -18.062 7.665 687 HD1 PHE 88 HD1 PHE 88 -0.058 -16.528 5.732 688 HD2 PHE 88 HD2 PHE 88 -1.107 -19.786 8.327 689 HE1 PHE 88 HE1 PHE 88 2.344 -16.980 6.133 690 HE2 PHE 88 HE2 PHE 88 1.300 -20.236 8.735 691 HZ PHE 88 HZ PHE 88 3.026 -18.835 7.635 692 H GLU 89 HN GLU 89 -4.196 -18.572 3.560 693 HA GLU 89 HA GLU 89 -6.655 -17.886 5.024 694 1HB GLU 89 HB2 GLU 89 -5.997 -16.893 2.764 695 2HB GLU 89 HB1 GLU 89 -6.368 -18.459 2.060 696 1HG GLU 89 HG2 GLU 89 -8.375 -17.196 1.844 697 2HG GLU 89 HG1 GLU 89 -8.654 -18.251 3.229 698 H HIS 90 HN HIS 90 -7.450 -19.759 2.369 699 HA HIS 90 HA HIS 90 -8.618 -21.800 4.050 700 1HB HIS 90 HB2 HIS 90 -9.647 -21.136 1.917 701 2HB HIS 90 HB1 HIS 90 -8.242 -21.738 1.042 702 HD1 HIS 90 HD1 HIS 90 -7.821 -24.374 1.162 703 HD2 HIS 90 HD2 HIS 90 -11.490 -23.101 2.678 704 HE1 HIS 90 HE1 HIS 90 -9.272 -26.442 1.369 705 HE2 HIS 90 HE2 HIS 90 -11.501 -25.678 2.299 706 H GLU 91 HN GLU 91 -7.083 -22.983 5.156 707 HA GLU 91 HA GLU 91 -4.686 -23.992 3.831 708 1HB GLU 91 HB2 GLU 91 -4.749 -23.440 6.266 709 2HB GLU 91 HB1 GLU 91 -5.863 -24.783 6.513 710 1HG GLU 91 HG2 GLU 91 -4.224 -26.393 5.886 711 2HG GLU 91 HG1 GLU 91 -3.173 -25.162 5.186 712 1H MET 0 HT1 MET 0 12.310 -1.852 17.125 713 2H MET 0 HT2 MET 0 11.683 -0.812 15.936 714 3H MET 0 HT3 MET 0 12.705 -2.094 15.492 715 HA MET 0 HA MET 0 11.027 -3.678 16.324 716 1HB MET 0 HB2 MET 0 9.282 -1.197 16.437 717 2HB MET 0 HB1 MET 0 8.794 -2.853 16.813 718 1HG MET 0 HG2 MET 0 10.909 -1.280 18.312 719 2HG MET 0 HG1 MET 0 9.258 -1.551 18.870 720 1HE MET 0 HE1 MET 0 9.996 -2.662 21.117 721 2HE MET 0 HE2 MET 0 11.626 -2.204 20.634 722 3HE MET 0 HE3 MET 0 11.316 -3.837 21.223 723 H SER 1 HN SER 1 9.064 -4.189 14.877 724 HA SER 1 HA SER 1 9.764 -3.364 12.112 725 1HB SER 1 HB2 SER 1 7.743 -5.446 12.934 726 2HB SER 1 HB1 SER 1 8.598 -5.308 11.400 727 HG SER 1 HG SER 1 10.321 -5.430 13.471 728 H GLU 2 HN GLU 2 8.809 -1.203 12.550 729 HA GLU 2 HA GLU 2 6.132 -0.629 13.176 730 1HB GLU 2 HB2 GLU 2 7.938 0.701 11.142 731 2HB GLU 2 HB1 GLU 2 6.347 1.338 11.570 732 1HG GLU 2 HG2 GLU 2 7.042 1.441 13.949 733 2HG GLU 2 HG1 GLU 2 8.638 0.838 13.501 734 H LEU 3 HN LEU 3 7.466 -1.895 10.176 735 HA LEU 3 HA LEU 3 5.068 -1.604 8.622 736 1HB LEU 3 HB2 LEU 3 7.738 -2.689 8.297 737 2HB LEU 3 HB1 LEU 3 6.579 -3.844 7.659 738 HG LEU 3 HG LEU 3 7.443 -2.162 5.985 739 1HD1 LEU 3 HD11 LEU 3 5.002 -1.546 5.236 740 2HD1 LEU 3 HD12 LEU 3 4.525 -2.561 6.595 741 3HD1 LEU 3 HD13 LEU 3 5.500 -3.236 5.291 742 1HD2 LEU 3 HD21 LEU 3 5.573 -0.059 6.917 743 2HD2 LEU 3 HD22 LEU 3 7.198 0.090 6.254 744 3HD2 LEU 3 HD23 LEU 3 6.975 -0.284 7.959 745 H GLU 4 HN GLU 4 5.987 -3.842 11.110 746 HA GLU 4 HA GLU 4 4.226 -5.982 10.225 747 1HB GLU 4 HB2 GLU 4 6.062 -6.476 11.770 748 2HB GLU 4 HB1 GLU 4 5.363 -5.386 12.977 749 1HG GLU 4 HG2 GLU 4 3.368 -6.804 13.130 750 2HG GLU 4 HG1 GLU 4 3.991 -7.858 11.860 751 H LYS 5 HN LYS 5 3.937 -3.053 12.035 752 HA LYS 5 HA LYS 5 1.384 -3.607 13.268 753 1HB LYS 5 HB2 LYS 5 2.196 -0.814 12.453 754 2HB LYS 5 HB1 LYS 5 1.331 -1.337 13.891 755 1HG LYS 5 HG2 LYS 5 4.245 -2.002 13.388 756 2HG LYS 5 HG1 LYS 5 3.725 -0.571 14.257 757 1HD LYS 5 HD2 LYS 5 3.065 -1.757 16.124 758 2HD LYS 5 HD1 LYS 5 2.551 -3.160 15.190 759 1HE LYS 5 HE2 LYS 5 4.903 -3.772 14.801 760 2HE LYS 5 HE1 LYS 5 5.424 -2.372 15.738 761 1HZ LYS 5 HZ1 LYS 5 3.498 -4.036 17.085 762 2HZ LYS 5 HZ2 LYS 5 4.959 -3.390 17.657 763 3HZ LYS 5 HZ3 LYS 5 4.961 -4.827 16.753 764 H ALA 6 HN ALA 6 2.387 -1.939 10.321 765 HA ALA 6 HA ALA 6 -0.245 -1.333 9.389 766 1HB ALA 6 HB1 ALA 6 1.936 -0.347 8.545 767 2HB ALA 6 HB2 ALA 6 0.799 -0.829 7.286 768 3HB ALA 6 HB3 ALA 6 2.178 -1.854 7.664 769 H MET 7 HN MET 7 1.975 -3.941 8.403 770 HA MET 7 HA MET 7 0.267 -5.240 6.620 771 1HB MET 7 HB2 MET 7 2.272 -6.404 8.573 772 2HB MET 7 HB1 MET 7 1.447 -7.384 7.365 773 1HG MET 7 HG2 MET 7 2.420 -6.117 5.565 774 2HG MET 7 HG1 MET 7 3.059 -4.914 6.684 775 1HE MET 7 HE1 MET 7 4.204 -6.970 4.365 776 2HE MET 7 HE2 MET 7 5.771 -7.540 4.939 777 3HE MET 7 HE3 MET 7 5.414 -5.816 4.946 778 H VAL 8 HN VAL 8 0.303 -5.487 10.167 779 HA VAL 8 HA VAL 8 -1.815 -7.507 10.179 780 HB VAL 8 HB VAL 8 -0.606 -5.803 12.376 781 1HG1 VAL 8 HG11 VAL 8 -1.734 -7.568 13.855 782 2HG1 VAL 8 HG12 VAL 8 -2.709 -7.976 12.447 783 3HG1 VAL 8 HG13 VAL 8 -2.795 -6.359 13.138 784 1HG2 VAL 8 HG21 VAL 8 0.607 -7.794 12.960 785 2HG2 VAL 8 HG22 VAL 8 0.808 -7.577 11.223 786 3HG2 VAL 8 HG23 VAL 8 -0.337 -8.774 11.837 787 H ALA 9 HN ALA 9 -1.605 -4.013 10.676 788 HA ALA 9 HA ALA 9 -4.339 -3.663 11.478 789 1HB ALA 9 HB1 ALA 9 -2.756 -1.582 9.972 790 2HB ALA 9 HB2 ALA 9 -2.372 -1.989 11.644 791 3HB ALA 9 HB3 ALA 9 -3.961 -1.355 11.235 792 H LEU 10 HN LEU 10 -2.770 -3.951 8.344 793 HA LEU 10 HA LEU 10 -5.139 -3.071 6.864 794 1HB LEU 10 HB2 LEU 10 -2.394 -4.029 6.227 795 2HB LEU 10 HB1 LEU 10 -3.611 -4.340 4.989 796 HG LEU 10 HG LEU 10 -4.230 -1.928 5.032 797 1HD1 LEU 10 HD11 LEU 10 -2.693 -0.360 6.201 798 2HD1 LEU 10 HD12 LEU 10 -1.853 -1.738 6.911 799 3HD1 LEU 10 HD13 LEU 10 -3.535 -1.419 7.332 800 1HD2 LEU 10 HD21 LEU 10 -2.284 -1.172 3.811 801 2HD2 LEU 10 HD22 LEU 10 -2.496 -2.891 3.478 802 3HD2 LEU 10 HD23 LEU 10 -1.260 -2.360 4.621 803 H ILE 11 HN ILE 11 -3.555 -6.239 7.395 804 HA ILE 11 HA ILE 11 -5.204 -7.887 5.907 805 HB ILE 11 HB ILE 11 -3.953 -8.311 8.630 806 1HG1 ILE 11 HG12 ILE 11 -3.318 -9.575 5.955 807 2HG1 ILE 11 HG11 ILE 11 -2.606 -8.049 6.473 808 1HG2 ILE 11 HG21 ILE 11 -5.812 -9.848 8.623 809 2HG2 ILE 11 HG22 ILE 11 -4.379 -10.779 8.184 810 3HG2 ILE 11 HG23 ILE 11 -5.522 -10.280 6.935 811 1HD1 ILE 11 HD11 ILE 11 -1.623 -9.110 8.430 812 2HD1 ILE 11 HD12 ILE 11 -1.160 -10.025 6.997 813 3HD1 ILE 11 HD13 ILE 11 -2.433 -10.630 8.057 814 H ASP 12 HN ASP 12 -5.926 -6.450 9.071 815 HA ASP 12 HA ASP 12 -8.423 -7.842 9.404 816 1HB ASP 12 HB2 ASP 12 -7.453 -5.204 10.542 817 2HB ASP 12 HB1 ASP 12 -8.914 -6.040 11.072 818 H VAL 13 HN VAL 13 -7.670 -4.540 8.282 819 HA VAL 13 HA VAL 13 -10.425 -4.040 7.512 820 HB VAL 13 HB VAL 13 -7.857 -2.563 6.829 821 1HG1 VAL 13 HG11 VAL 13 -9.465 -0.687 6.316 822 2HG1 VAL 13 HG12 VAL 13 -10.764 -1.883 6.361 823 3HG1 VAL 13 HG13 VAL 13 -9.484 -2.018 5.157 824 1HG2 VAL 13 HG21 VAL 13 -8.140 -2.305 9.141 825 2HG2 VAL 13 HG22 VAL 13 -9.898 -2.387 9.045 826 3HG2 VAL 13 HG23 VAL 13 -9.057 -0.930 8.527 827 H PHE 14 HN PHE 14 -7.627 -5.404 5.926 828 HA PHE 14 HA PHE 14 -8.670 -5.009 3.233 829 1HB PHE 14 HB2 PHE 14 -6.393 -6.528 4.442 830 2HB PHE 14 HB1 PHE 14 -6.945 -7.064 2.862 831 HD1 PHE 14 HD1 PHE 14 -5.265 -6.300 1.361 832 HD2 PHE 14 HD2 PHE 14 -6.913 -3.614 4.291 833 HE1 PHE 14 HE1 PHE 14 -4.079 -4.400 0.291 834 HE2 PHE 14 HE2 PHE 14 -5.721 -1.718 3.222 835 HZ PHE 14 HZ PHE 14 -4.309 -2.113 1.222 836 H HIS 15 HN HIS 15 -8.680 -7.805 5.460 837 HA HIS 15 HA HIS 15 -10.193 -9.432 3.592 838 1HB HIS 15 HB2 HIS 15 -8.654 -10.143 5.611 839 2HB HIS 15 HB1 HIS 15 -10.133 -9.985 6.555 840 HD1 HIS 15 HD1 HIS 15 -11.008 -12.309 6.852 841 HD2 HIS 15 HD2 HIS 15 -9.686 -11.664 2.951 842 HE1 HIS 15 HE1 HIS 15 -11.562 -14.409 5.551 843 H GLN 16 HN GLN 16 -11.057 -7.285 6.276 844 HA GLN 16 HA GLN 16 -13.782 -8.175 6.518 845 1HB GLN 16 HB2 GLN 16 -12.386 -5.579 7.205 846 2HB GLN 16 HB1 GLN 16 -14.118 -5.792 7.463 847 1HG GLN 16 HG2 GLN 16 -12.042 -7.707 8.551 848 2HG GLN 16 HG1 GLN 16 -12.655 -6.332 9.468 849 1HE2 GLN 16 HE21 GLN 16 -14.864 -6.428 10.247 850 2HE2 GLN 16 HE22 GLN 16 -15.782 -7.857 10.172 851 H TYR 17 HN TYR 17 -12.240 -5.681 4.520 852 HA TYR 17 HA TYR 17 -14.849 -5.040 3.267 853 1HB TYR 17 HB2 TYR 17 -12.078 -3.857 3.125 854 2HB TYR 17 HB1 TYR 17 -13.276 -3.462 1.894 855 HD1 TYR 17 HD1 TYR 17 -14.911 -1.815 2.313 856 HD2 TYR 17 HD2 TYR 17 -12.771 -3.554 5.603 857 HE1 TYR 17 HE1 TYR 17 -15.971 -0.193 3.855 858 HE2 TYR 17 HE2 TYR 17 -13.824 -1.922 7.145 859 HH TYR 17 HH TYR 17 -15.899 0.675 5.937 860 H SER 18 HN SER 18 -11.598 -6.024 2.083 861 HA SER 18 HA SER 18 -12.469 -6.696 -0.526 862 1HB SER 18 HB2 SER 18 -10.061 -6.608 0.498 863 2HB SER 18 HB1 SER 18 -10.338 -8.309 0.853 864 HG SER 18 HG SER 18 -9.972 -7.015 -1.567 865 H GLY 19 HN GLY 19 -12.842 -8.385 2.503 866 1HA GLY 19 HA2 GLY 19 -13.800 -10.841 1.129 867 2HA GLY 19 HA1 GLY 19 -13.526 -10.674 2.861 868 H ARG 20 HN ARG 20 -15.151 -7.904 1.972 869 HA ARG 20 HA ARG 20 -17.601 -8.698 3.244 870 1HB ARG 20 HB2 ARG 20 -16.779 -6.337 3.075 871 2HB ARG 20 HB1 ARG 20 -17.081 -6.383 1.343 872 1HG ARG 20 HG2 ARG 20 -19.498 -6.931 1.876 873 2HG ARG 20 HG1 ARG 20 -19.124 -6.597 3.569 874 1HD ARG 20 HD2 ARG 20 -18.257 -4.329 2.803 875 2HD ARG 20 HD1 ARG 20 -18.965 -4.684 1.229 876 HE ARG 20 HE ARG 20 -20.437 -3.965 3.642 877 1HH1 ARG 20 HH21 ARG 20 -20.439 -5.553 0.590 878 2HH1 ARG 20 HH22 ARG 20 -22.163 -5.500 0.416 879 1HH2 ARG 20 HH11 ARG 20 -22.686 -3.896 3.440 880 2HH2 ARG 20 HH12 ARG 20 -23.433 -4.567 2.026 881 H GLU 21 HN GLU 21 -16.668 -8.237 -0.150 882 HA GLU 21 HA GLU 21 -18.512 -10.303 -1.028 883 1HB GLU 21 HB2 GLU 21 -19.744 -8.633 -2.588 884 2HB GLU 21 HB1 GLU 21 -20.239 -8.697 -0.899 885 1HG GLU 21 HG2 GLU 21 -18.840 -6.748 -0.387 886 2HG GLU 21 HG1 GLU 21 -18.265 -6.705 -2.056 887 H GLY 22 HN GLY 22 -18.332 -10.625 -3.415 888 1HA GLY 22 HA2 GLY 22 -17.211 -10.069 -5.539 889 2HA GLY 22 HA1 GLY 22 -15.897 -9.342 -4.613 890 H ASP 23 HN ASP 23 -14.217 -10.658 -5.351 891 HA ASP 23 HA ASP 23 -14.492 -13.563 -5.432 892 1HB ASP 23 HB2 ASP 23 -12.993 -12.251 -6.967 893 2HB ASP 23 HB1 ASP 23 -11.965 -11.897 -5.579 894 H LYS 24 HN LYS 24 -14.930 -12.158 -2.843 895 HA LYS 24 HA LYS 24 -14.491 -12.587 -0.596 896 1HB LYS 24 HB2 LYS 24 -13.880 -14.982 -1.938 897 2HB LYS 24 HB1 LYS 24 -12.450 -14.689 -0.960 898 1HG LYS 24 HG2 LYS 24 -15.274 -14.624 0.163 899 2HG LYS 24 HG1 LYS 24 -14.252 -16.058 0.186 900 1HD LYS 24 HD2 LYS 24 -12.510 -14.736 1.402 901 2HD LYS 24 HD1 LYS 24 -13.646 -13.393 1.488 902 1HE LYS 24 HE2 LYS 24 -13.831 -14.585 3.565 903 2HE LYS 24 HE1 LYS 24 -15.270 -14.980 2.626 904 1HZ LYS 24 HZ1 LYS 24 -12.932 -16.641 3.243 905 2HZ LYS 24 HZ2 LYS 24 -13.768 -16.919 1.792 906 3HZ LYS 24 HZ3 LYS 24 -14.578 -17.044 3.281 907 H HIS 25 HN HIS 25 -12.089 -11.717 -2.852 908 HA HIS 25 HA HIS 25 -10.578 -10.342 -0.731 909 1HB HIS 25 HB2 HIS 25 -9.027 -12.045 -2.688 910 2HB HIS 25 HB1 HIS 25 -8.460 -11.299 -1.193 911 HD2 HIS 25 HD2 HIS 25 -9.921 -14.645 -2.378 912 HE1 HIS 25 HE1 HIS 25 -10.155 -14.687 1.834 913 HE2 HIS 25 HE2 HIS 25 -10.340 -16.100 -0.260 914 H LYS 26 HN LYS 26 -12.207 -9.182 -2.609 915 HA LYS 26 HA LYS 26 -10.218 -7.704 -4.243 916 1HB LYS 26 HB2 LYS 26 -11.545 -9.557 -5.549 917 2HB LYS 26 HB1 LYS 26 -12.903 -8.447 -5.426 918 1HG LYS 26 HG2 LYS 26 -11.644 -6.702 -6.561 919 2HG LYS 26 HG1 LYS 26 -10.187 -7.693 -6.558 920 1HD LYS 26 HD2 LYS 26 -12.707 -8.733 -7.855 921 2HD LYS 26 HD1 LYS 26 -11.665 -7.610 -8.726 922 1HE LYS 26 HE2 LYS 26 -9.732 -9.166 -8.286 923 2HE LYS 26 HE1 LYS 26 -10.879 -10.315 -7.608 924 1HZ LYS 26 HZ1 LYS 26 -10.197 -10.107 -10.232 925 2HZ LYS 26 HZ2 LYS 26 -11.705 -9.321 -10.160 926 3HZ LYS 26 HZ3 LYS 26 -11.550 -10.927 -9.618 927 H LEU 27 HN LEU 27 -10.863 -5.501 -4.562 928 HA LEU 27 HA LEU 27 -12.958 -4.632 -2.638 929 1HB LEU 27 HB2 LEU 27 -10.459 -3.491 -3.668 930 2HB LEU 27 HB1 LEU 27 -11.769 -2.324 -3.749 931 HG LEU 27 HG LEU 27 -12.237 -3.016 -1.258 932 1HD1 LEU 27 HD11 LEU 27 -10.818 -4.961 -1.106 933 2HD1 LEU 27 HD12 LEU 27 -10.104 -3.698 -0.107 934 3HD1 LEU 27 HD13 LEU 27 -9.423 -4.053 -1.692 935 1HD2 LEU 27 HD21 LEU 27 -11.458 -0.822 -1.812 936 2HD2 LEU 27 HD22 LEU 27 -9.839 -1.428 -2.169 937 3HD2 LEU 27 HD23 LEU 27 -10.433 -1.424 -0.509 938 H LYS 28 HN LYS 28 -14.834 -3.889 -3.233 939 HA LYS 28 HA LYS 28 -15.369 -3.230 -6.120 940 1HB LYS 28 HB2 LYS 28 -17.604 -3.774 -4.174 941 2HB LYS 28 HB1 LYS 28 -17.526 -4.082 -5.911 942 1HG LYS 28 HG2 LYS 28 -15.582 -5.781 -5.128 943 2HG LYS 28 HG1 LYS 28 -16.524 -5.754 -3.635 944 1HD LYS 28 HD2 LYS 28 -17.480 -6.532 -6.404 945 2HD LYS 28 HD1 LYS 28 -17.370 -7.562 -4.982 946 1HE LYS 28 HE2 LYS 28 -19.615 -7.066 -4.809 947 2HE LYS 28 HE1 LYS 28 -19.017 -5.608 -4.018 948 1HZ LYS 28 HZ1 LYS 28 -20.350 -5.896 -6.525 949 2HZ LYS 28 HZ2 LYS 28 -18.882 -5.052 -6.698 950 3HZ LYS 28 HZ3 LYS 28 -20.065 -4.495 -5.609 951 H LYS 29 HN LYS 29 -16.859 -1.328 -6.423 952 HA LYS 29 HA LYS 29 -16.089 0.980 -5.081 953 1HB LYS 29 HB2 LYS 29 -18.840 0.368 -6.199 954 2HB LYS 29 HB1 LYS 29 -18.280 1.974 -5.742 955 1HG LYS 29 HG2 LYS 29 -16.265 1.421 -7.366 956 2HG LYS 29 HG1 LYS 29 -17.392 0.242 -8.038 957 1HD LYS 29 HD2 LYS 29 -19.082 2.178 -8.166 958 2HD LYS 29 HD1 LYS 29 -17.707 3.245 -7.871 959 1HE LYS 29 HE2 LYS 29 -18.113 1.356 -10.206 960 2HE LYS 29 HE1 LYS 29 -17.960 3.113 -10.250 961 1HZ LYS 29 HZ1 LYS 29 -15.819 2.720 -10.633 962 2HZ LYS 29 HZ2 LYS 29 -15.918 1.097 -10.137 963 3HZ LYS 29 HZ3 LYS 29 -15.702 2.331 -8.985 964 H SER 30 HN SER 30 -18.877 -1.089 -4.222 965 HA SER 30 HA SER 30 -19.811 0.371 -2.002 966 1HB SER 30 HB2 SER 30 -19.747 -2.579 -2.624 967 2HB SER 30 HB1 SER 30 -20.357 -2.026 -1.068 968 HG SER 30 HG SER 30 -21.310 -1.428 -3.667 969 H GLU 31 HN GLU 31 -16.833 -1.327 -2.393 970 HA GLU 31 HA GLU 31 -16.321 -1.341 0.550 971 1HB GLU 31 HB2 GLU 31 -14.654 -2.420 -1.750 972 2HB GLU 31 HB1 GLU 31 -14.322 -2.646 -0.033 973 1HG GLU 31 HG2 GLU 31 -16.578 -3.746 0.181 974 2HG GLU 31 HG1 GLU 31 -16.714 -3.679 -1.578 975 H LEU 32 HN LEU 32 -15.406 0.290 -2.413 976 HA LEU 32 HA LEU 32 -13.142 1.631 -1.148 977 1HB LEU 32 HB2 LEU 32 -13.800 1.105 -3.753 978 2HB LEU 32 HB1 LEU 32 -14.312 2.782 -3.641 979 HG LEU 32 HG LEU 32 -11.558 1.794 -2.825 980 1HD1 LEU 32 HD11 LEU 32 -12.135 1.581 -5.311 981 2HD1 LEU 32 HD12 LEU 32 -10.738 2.586 -4.921 982 3HD1 LEU 32 HD13 LEU 32 -12.278 3.337 -5.325 983 1HD2 LEU 32 HD21 LEU 32 -12.160 3.843 -1.699 984 2HD2 LEU 32 HD22 LEU 32 -12.813 4.528 -3.185 985 3HD2 LEU 32 HD23 LEU 32 -11.077 4.277 -3.024 986 H LYS 33 HN LYS 33 -16.331 2.753 -2.318 987 HA LYS 33 HA LYS 33 -16.044 5.345 -1.124 988 1HB LYS 33 HB2 LYS 33 -17.588 4.772 -2.974 989 2HB LYS 33 HB1 LYS 33 -18.530 3.780 -1.866 990 1HG LYS 33 HG2 LYS 33 -18.833 5.882 -0.450 991 2HG LYS 33 HG1 LYS 33 -18.144 6.777 -1.801 992 1HD LYS 33 HD2 LYS 33 -20.347 6.894 -2.488 993 2HD LYS 33 HD1 LYS 33 -19.987 5.301 -3.155 994 1HE LYS 33 HE2 LYS 33 -20.786 4.301 -0.979 995 2HE LYS 33 HE1 LYS 33 -21.310 5.916 -0.494 996 1HZ LYS 33 HZ1 LYS 33 -22.333 4.222 -2.686 997 2HZ LYS 33 HZ2 LYS 33 -22.547 5.905 -2.722 998 3HZ LYS 33 HZ3 LYS 33 -23.193 4.991 -1.445 999 H GLU 34 HN GLU 34 -17.360 2.262 0.022 1000 HA GLU 34 HA GLU 34 -18.425 3.455 2.472 1001 1HB GLU 34 HB2 GLU 34 -19.254 1.294 1.410 1002 2HB GLU 34 HB1 GLU 34 -17.804 0.531 2.075 1003 1HG GLU 34 HG2 GLU 34 -19.566 0.186 3.670 1004 2HG GLU 34 HG1 GLU 34 -18.499 1.416 4.341 1005 H LEU 35 HN LEU 35 -15.390 1.947 1.550 1006 HA LEU 35 HA LEU 35 -14.425 1.712 4.284 1007 1HB LEU 35 HB2 LEU 35 -13.425 0.304 2.573 1008 2HB LEU 35 HB1 LEU 35 -12.991 1.719 1.613 1009 HG LEU 35 HG LEU 35 -11.434 2.471 3.362 1010 1HD1 LEU 35 HD11 LEU 35 -10.937 0.742 5.205 1011 2HD1 LEU 35 HD12 LEU 35 -12.512 0.050 4.809 1012 3HD1 LEU 35 HD13 LEU 35 -12.396 1.711 5.389 1013 1HD2 LEU 35 HD21 LEU 35 -9.747 0.860 2.975 1014 2HD2 LEU 35 HD22 LEU 35 -10.801 0.771 1.564 1015 3HD2 LEU 35 HD23 LEU 35 -10.919 -0.450 2.833 1016 H ILE 36 HN ILE 36 -14.296 4.125 1.736 1017 HA ILE 36 HA ILE 36 -12.364 5.859 2.963 1018 HB ILE 36 HB ILE 36 -14.544 6.313 0.923 1019 1HG1 ILE 36 HG12 ILE 36 -11.535 6.417 0.620 1020 2HG1 ILE 36 HG11 ILE 36 -12.446 4.921 0.430 1021 1HG2 ILE 36 HG21 ILE 36 -14.273 8.462 1.912 1022 2HG2 ILE 36 HG22 ILE 36 -13.231 8.473 0.488 1023 3HG2 ILE 36 HG23 ILE 36 -12.531 8.243 2.088 1024 1HD1 ILE 36 HD11 ILE 36 -13.686 5.792 -1.417 1025 2HD1 ILE 36 HD12 ILE 36 -12.006 6.245 -1.712 1026 3HD1 ILE 36 HD13 ILE 36 -13.143 7.438 -1.088 1027 H ASN 37 HN ASN 37 -15.902 5.706 3.115 1028 HA ASN 37 HA ASN 37 -16.060 8.018 4.914 1029 1HB ASN 37 HB2 ASN 37 -17.882 7.502 3.326 1030 2HB ASN 37 HB1 ASN 37 -18.177 5.983 4.173 1031 1HD2 ASN 37 HD21 ASN 37 -19.029 6.108 6.403 1032 2HD2 ASN 37 HD22 ASN 37 -19.788 7.520 6.961 1033 H ASN 38 HN ASN 38 -15.783 4.553 5.340 1034 HA ASN 38 HA ASN 38 -16.798 4.677 8.107 1035 1HB ASN 38 HB2 ASN 38 -17.089 2.729 6.463 1036 2HB ASN 38 HB1 ASN 38 -15.409 2.329 6.823 1037 1HD2 ASN 38 HD21 ASN 38 -18.627 2.717 8.322 1038 2HD2 ASN 38 HD22 ASN 38 -18.285 1.774 9.692 1039 H GLU 39 HN GLU 39 -13.612 3.999 6.594 1040 HA GLU 39 HA GLU 39 -12.368 4.240 9.320 1041 1HB GLU 39 HB2 GLU 39 -11.165 3.153 6.761 1042 2HB GLU 39 HB1 GLU 39 -10.466 3.064 8.377 1043 1HG GLU 39 HG2 GLU 39 -13.125 1.829 7.601 1044 2HG GLU 39 HG1 GLU 39 -11.602 0.942 7.680 1045 H LEU 40 HN LEU 40 -11.867 5.349 5.944 1046 HA LEU 40 HA LEU 40 -9.878 7.317 6.896 1047 1HB LEU 40 HB2 LEU 40 -10.908 7.372 4.081 1048 2HB LEU 40 HB1 LEU 40 -9.263 7.573 4.678 1049 HG LEU 40 HG LEU 40 -10.794 4.951 4.550 1050 1HD1 LEU 40 HD11 LEU 40 -9.380 4.395 2.709 1051 2HD1 LEU 40 HD12 LEU 40 -8.343 5.794 2.988 1052 3HD1 LEU 40 HD13 LEU 40 -9.982 6.017 2.373 1053 1HD2 LEU 40 HD21 LEU 40 -9.169 5.068 6.442 1054 2HD2 LEU 40 HD22 LEU 40 -7.903 5.525 5.302 1055 3HD2 LEU 40 HD23 LEU 40 -8.648 3.928 5.200 1056 H SER 41 HN SER 41 -12.679 7.578 7.816 1057 HA SER 41 HA SER 41 -13.729 9.922 6.372 1058 1HB SER 41 HB2 SER 41 -15.616 8.915 7.164 1059 2HB SER 41 HB1 SER 41 -14.718 8.019 8.387 1060 HG SER 41 HG SER 41 -15.413 9.432 9.758 1061 H HIS 42 HN HIS 42 -11.555 9.354 8.992 1062 HA HIS 42 HA HIS 42 -12.068 12.027 10.179 1063 1HB HIS 42 HB2 HIS 42 -10.162 9.798 10.947 1064 2HB HIS 42 HB1 HIS 42 -10.352 11.312 11.834 1065 HD1 HIS 42 HD1 HIS 42 -11.426 7.995 12.097 1066 HD2 HIS 42 HD2 HIS 42 -13.472 11.625 12.252 1067 HE1 HIS 42 HE1 HIS 42 -13.630 7.525 13.257 1068 HE2 HIS 42 HE2 HIS 42 -14.890 9.728 13.348 1069 H PHE 43 HN PHE 43 -9.688 10.334 8.188 1070 HA PHE 43 HA PHE 43 -7.957 12.773 8.186 1071 1HB PHE 43 HB2 PHE 43 -7.472 9.936 7.235 1072 2HB PHE 43 HB1 PHE 43 -6.339 11.263 6.978 1073 HD1 PHE 43 HD1 PHE 43 -7.824 8.987 9.455 1074 HD2 PHE 43 HD2 PHE 43 -5.175 12.326 8.876 1075 HE1 PHE 43 HE1 PHE 43 -6.904 8.660 11.737 1076 HE2 PHE 43 HE2 PHE 43 -4.257 11.992 11.155 1077 HZ PHE 43 HZ PHE 43 -5.122 10.160 12.586 1078 H LEU 44 HN LEU 44 -9.174 10.375 5.797 1079 HA LEU 44 HA LEU 44 -8.884 12.341 3.656 1080 1HB LEU 44 HB2 LEU 44 -8.497 9.998 3.146 1081 2HB LEU 44 HB1 LEU 44 -10.095 9.560 3.734 1082 HG LEU 44 HG LEU 44 -11.128 10.883 1.918 1083 1HD1 LEU 44 HD11 LEU 44 -8.235 11.542 1.347 1084 2HD1 LEU 44 HD12 LEU 44 -9.615 12.635 1.460 1085 3HD1 LEU 44 HD13 LEU 44 -9.434 11.590 0.054 1086 1HD2 LEU 44 HD21 LEU 44 -10.205 8.418 1.677 1087 2HD2 LEU 44 HD22 LEU 44 -9.049 9.161 0.576 1088 3HD2 LEU 44 HD23 LEU 44 -10.781 9.281 0.254 1089 H GLU 45 HN GLU 45 -10.540 13.574 2.764 1090 HA GLU 45 HA GLU 45 -12.733 14.390 4.278 1091 1HB GLU 45 HB2 GLU 45 -12.678 14.272 1.245 1092 2HB GLU 45 HB1 GLU 45 -13.667 15.343 2.237 1093 1HG GLU 45 HG2 GLU 45 -11.617 16.360 3.171 1094 2HG GLU 45 HG1 GLU 45 -10.640 15.313 2.143 1095 H GLU 46 HN GLU 46 -14.698 13.495 4.792 1096 HA GLU 46 HA GLU 46 -15.333 10.804 4.161 1097 1HB GLU 46 HB2 GLU 46 -17.737 11.570 4.856 1098 2HB GLU 46 HB1 GLU 46 -16.444 11.628 6.054 1099 1HG GLU 46 HG2 GLU 46 -16.183 13.978 5.824 1100 2HG GLU 46 HG1 GLU 46 -17.121 14.018 4.331 1101 H ILE 47 HN ILE 47 -15.049 10.659 1.869 1102 HA ILE 47 HA ILE 47 -16.427 12.181 -0.077 1103 HB ILE 47 HB ILE 47 -15.254 9.420 0.025 1104 1HG1 ILE 47 HG12 ILE 47 -14.832 11.776 -1.840 1105 2HG1 ILE 47 HG11 ILE 47 -13.882 11.455 -0.392 1106 1HG2 ILE 47 HG21 ILE 47 -15.875 9.150 -2.433 1107 2HG2 ILE 47 HG22 ILE 47 -17.083 10.406 -2.166 1108 3HG2 ILE 47 HG23 ILE 47 -17.170 8.889 -1.272 1109 1HD1 ILE 47 HD11 ILE 47 -14.070 9.195 -2.335 1110 2HD1 ILE 47 HD12 ILE 47 -12.699 9.765 -1.384 1111 3HD1 ILE 47 HD13 ILE 47 -13.151 10.607 -2.861 1112 H LYS 48 HN LYS 48 -18.539 12.288 -0.617 1113 HA LYS 48 HA LYS 48 -20.421 10.207 0.461 1114 1HB LYS 48 HB2 LYS 48 -20.777 13.173 -0.027 1115 2HB LYS 48 HB1 LYS 48 -22.131 12.083 0.252 1116 1HG LYS 48 HG2 LYS 48 -19.841 12.021 2.208 1117 2HG LYS 48 HG1 LYS 48 -20.960 13.379 2.286 1118 1HD LYS 48 HD2 LYS 48 -22.850 11.879 2.577 1119 2HD LYS 48 HD1 LYS 48 -21.814 10.470 2.343 1120 1HE LYS 48 HE2 LYS 48 -22.104 10.717 4.712 1121 2HE LYS 48 HE1 LYS 48 -20.469 11.270 4.345 1122 1HZ LYS 48 HZ1 LYS 48 -22.188 12.686 5.771 1123 2HZ LYS 48 HZ2 LYS 48 -22.577 13.272 4.221 1124 3HZ LYS 48 HZ3 LYS 48 -20.985 13.398 4.811 1125 H GLU 49 HN GLU 49 -19.155 11.787 -2.317 1126 HA GLU 49 HA GLU 49 -21.376 10.783 -4.046 1127 1HB GLU 49 HB2 GLU 49 -20.002 12.099 -5.820 1128 2HB GLU 49 HB1 GLU 49 -20.901 13.022 -4.614 1129 1HG GLU 49 HG2 GLU 49 -18.915 13.380 -3.294 1130 2HG GLU 49 HG1 GLU 49 -17.989 12.254 -4.293 1131 H GLN 50 HN GLN 50 -20.868 9.414 -5.847 1132 HA GLN 50 HA GLN 50 -18.511 7.680 -5.366 1133 1HB GLN 50 HB2 GLN 50 -19.615 6.260 -7.147 1134 2HB GLN 50 HB1 GLN 50 -20.578 6.506 -5.688 1135 1HG GLN 50 HG2 GLN 50 -21.922 8.189 -6.755 1136 2HG GLN 50 HG1 GLN 50 -20.853 8.235 -8.157 1137 1HE2 GLN 50 HE21 GLN 50 -21.385 5.070 -6.859 1138 2HE2 GLN 50 HE22 GLN 50 -22.501 4.549 -8.029 1139 H GLU 51 HN GLU 51 -19.711 9.988 -7.738 1140 HA GLU 51 HA GLU 51 -18.271 9.386 -10.006 1141 1HB GLU 51 HB2 GLU 51 -18.659 12.131 -8.784 1142 2HB GLU 51 HB1 GLU 51 -18.145 11.838 -10.445 1143 1HG GLU 51 HG2 GLU 51 -20.252 10.491 -10.782 1144 2HG GLU 51 HG1 GLU 51 -20.776 11.023 -9.184 1145 H VAL 52 HN VAL 52 -16.986 10.708 -7.007 1146 HA VAL 52 HA VAL 52 -14.361 11.183 -8.160 1147 HB VAL 52 HB VAL 52 -13.643 11.395 -5.763 1148 1HG1 VAL 52 HG11 VAL 52 -14.583 13.328 -7.007 1149 2HG1 VAL 52 HG12 VAL 52 -14.980 13.400 -5.291 1150 3HG1 VAL 52 HG13 VAL 52 -16.194 12.877 -6.456 1151 1HG2 VAL 52 HG21 VAL 52 -16.547 10.640 -5.286 1152 2HG2 VAL 52 HG22 VAL 52 -15.497 11.338 -4.056 1153 3HG2 VAL 52 HG23 VAL 52 -15.118 9.758 -4.744 1154 H VAL 53 HN VAL 53 -15.965 8.606 -6.396 1155 HA VAL 53 HA VAL 53 -13.607 6.983 -6.161 1156 HB VAL 53 HB VAL 53 -16.263 6.823 -5.256 1157 1HG1 VAL 53 HG11 VAL 53 -16.888 5.643 -7.371 1158 2HG1 VAL 53 HG12 VAL 53 -17.113 4.654 -5.929 1159 3HG1 VAL 53 HG13 VAL 53 -15.715 4.387 -6.969 1160 1HG2 VAL 53 HG21 VAL 53 -14.340 6.099 -3.987 1161 2HG2 VAL 53 HG22 VAL 53 -14.049 4.784 -5.126 1162 3HG2 VAL 53 HG23 VAL 53 -15.483 4.759 -4.103 1163 H ASP 54 HN ASP 54 -15.767 7.778 -8.710 1164 HA ASP 54 HA ASP 54 -14.993 5.506 -10.406 1165 1HB ASP 54 HB2 ASP 54 -16.349 8.139 -11.096 1166 2HB ASP 54 HB1 ASP 54 -16.151 6.782 -12.203 1167 H LYS 55 HN LYS 55 -14.044 8.837 -9.809 1168 HA LYS 55 HA LYS 55 -12.140 8.899 -12.039 1169 1HB LYS 55 HB2 LYS 55 -13.081 11.000 -11.364 1170 2HB LYS 55 HB1 LYS 55 -12.613 10.745 -9.685 1171 1HG LYS 55 HG2 LYS 55 -10.366 10.641 -11.657 1172 2HG LYS 55 HG1 LYS 55 -11.132 12.216 -11.479 1173 1HD LYS 55 HD2 LYS 55 -10.519 12.426 -9.235 1174 2HD LYS 55 HD1 LYS 55 -10.390 10.688 -8.995 1175 1HE LYS 55 HE2 LYS 55 -8.368 10.660 -10.427 1176 2HE LYS 55 HE1 LYS 55 -8.478 12.414 -10.591 1177 1HZ LYS 55 HZ1 LYS 55 -7.227 11.015 -8.576 1178 2HZ LYS 55 HZ2 LYS 55 -8.643 11.635 -7.867 1179 3HZ LYS 55 HZ3 LYS 55 -7.535 12.682 -8.618 1180 H VAL 56 HN VAL 56 -11.839 8.698 -8.464 1181 HA VAL 56 HA VAL 56 -9.035 8.494 -8.371 1182 HB VAL 56 HB VAL 56 -10.861 8.537 -6.444 1183 1HG1 VAL 56 HG11 VAL 56 -11.355 6.453 -5.414 1184 2HG1 VAL 56 HG12 VAL 56 -10.179 5.591 -6.403 1185 3HG1 VAL 56 HG13 VAL 56 -11.671 6.189 -7.126 1186 1HG2 VAL 56 HG21 VAL 56 -9.156 7.775 -4.854 1187 2HG2 VAL 56 HG22 VAL 56 -8.418 8.751 -6.123 1188 3HG2 VAL 56 HG23 VAL 56 -8.265 6.993 -6.160 1189 H MET 57 HN MET 57 -11.486 6.030 -8.995 1190 HA MET 57 HA MET 57 -9.755 3.771 -9.084 1191 1HB MET 57 HB2 MET 57 -12.332 4.424 -10.524 1192 2HB MET 57 HB1 MET 57 -11.531 2.860 -10.675 1193 1HG MET 57 HG2 MET 57 -12.039 3.957 -7.921 1194 2HG MET 57 HG1 MET 57 -13.376 3.230 -8.812 1195 1HE MET 57 HE1 MET 57 -13.067 -0.323 -8.186 1196 2HE MET 57 HE2 MET 57 -13.606 0.797 -9.432 1197 3HE MET 57 HE3 MET 57 -13.953 1.145 -7.739 1198 H GLU 58 HN GLU 58 -10.401 6.318 -11.421 1199 HA GLU 58 HA GLU 58 -9.188 5.055 -13.693 1200 1HB GLU 58 HB2 GLU 58 -10.633 7.122 -13.772 1201 2HB GLU 58 HB1 GLU 58 -9.289 8.022 -13.069 1202 1HG GLU 58 HG2 GLU 58 -8.869 6.384 -15.568 1203 2HG GLU 58 HG1 GLU 58 -9.566 7.997 -15.669 1204 H THR 59 HN THR 59 -7.919 6.984 -11.036 1205 HA THR 59 HA THR 59 -5.219 7.051 -12.166 1206 HB THR 59 HB THR 59 -6.033 7.686 -9.323 1207 HG1 THR 59 HG1 THR 59 -7.303 8.937 -10.614 1208 1HG2 THR 59 HG21 THR 59 -3.658 7.591 -9.566 1209 2HG2 THR 59 HG22 THR 59 -4.087 9.298 -9.605 1210 3HG2 THR 59 HG23 THR 59 -3.713 8.451 -11.103 1211 H LEU 60 HN LEU 60 -7.020 5.121 -9.828 1212 HA LEU 60 HA LEU 60 -4.542 3.664 -9.055 1213 1HB LEU 60 HB2 LEU 60 -7.358 3.787 -8.019 1214 2HB LEU 60 HB1 LEU 60 -6.350 2.407 -7.594 1215 HG LEU 60 HG LEU 60 -6.260 4.264 -5.922 1216 1HD1 LEU 60 HD11 LEU 60 -4.241 2.640 -6.672 1217 2HD1 LEU 60 HD12 LEU 60 -4.045 3.868 -5.430 1218 3HD1 LEU 60 HD13 LEU 60 -3.493 4.188 -7.070 1219 1HD2 LEU 60 HD21 LEU 60 -4.779 5.783 -8.087 1220 2HD2 LEU 60 HD22 LEU 60 -5.186 6.356 -6.474 1221 3HD2 LEU 60 HD23 LEU 60 -6.460 6.087 -7.659 1222 H ASP 61 HN ASP 61 -7.763 2.793 -10.514 1223 HA ASP 61 HA ASP 61 -7.150 0.050 -10.885 1224 1HB ASP 61 HB2 ASP 61 -9.359 1.234 -11.239 1225 2HB ASP 61 HB1 ASP 61 -8.731 1.767 -12.803 1226 H GLU 62 HN GLU 62 -5.243 -0.515 -11.650 1227 HA GLU 62 HA GLU 62 -4.054 0.877 -13.969 1228 1HB GLU 62 HB2 GLU 62 -2.080 -0.484 -13.524 1229 2HB GLU 62 HB1 GLU 62 -2.637 0.234 -12.013 1230 1HG GLU 62 HG2 GLU 62 -3.970 -1.944 -11.671 1231 2HG GLU 62 HG1 GLU 62 -2.976 -2.616 -12.960 1232 H ASP 63 HN ASP 63 -5.192 -2.358 -13.068 1233 HA ASP 63 HA ASP 63 -4.770 -3.398 -15.752 1234 1HB ASP 63 HB2 ASP 63 -6.415 -5.218 -14.802 1235 2HB ASP 63 HB1 ASP 63 -4.794 -5.098 -14.119 1236 H GLY 64 HN GLY 64 -6.902 -1.186 -14.411 1237 1HA GLY 64 HA2 GLY 64 -8.915 -0.278 -15.234 1238 2HA GLY 64 HA1 GLY 64 -8.486 -1.008 -16.780 1239 H ASP 65 HN ASP 65 -9.098 -2.540 -13.640 1240 HA ASP 65 HA ASP 65 -11.004 -4.386 -15.010 1241 1HB ASP 65 HB2 ASP 65 -10.844 -5.665 -12.842 1242 2HB ASP 65 HB1 ASP 65 -9.303 -5.484 -13.687 1243 H GLY 66 HN GLY 66 -11.100 -1.506 -13.342 1244 1HA GLY 66 HA2 GLY 66 -13.010 -0.327 -12.558 1245 2HA GLY 66 HA1 GLY 66 -13.991 -1.750 -12.939 1246 H GLU 67 HN GLU 67 -11.432 -2.878 -11.301 1247 HA GLU 67 HA GLU 67 -12.723 -2.598 -8.607 1248 1HB GLU 67 HB2 GLU 67 -11.550 -5.036 -9.977 1249 2HB GLU 67 HB1 GLU 67 -11.859 -4.970 -8.241 1250 1HG GLU 67 HG2 GLU 67 -14.203 -4.688 -8.562 1251 2HG GLU 67 HG1 GLU 67 -14.000 -4.322 -10.279 1252 H CYS 68 HN CYS 68 -11.033 -3.172 -6.848 1253 HA CYS 68 HA CYS 68 -8.331 -2.133 -7.673 1254 1HB CYS 68 HB2 CYS 68 -9.975 -1.573 -5.196 1255 2HB CYS 68 HB1 CYS 68 -8.248 -1.233 -5.295 1256 HG CYS 68 HG CYS 68 -10.257 0.057 -7.312 1257 H ASP 69 HN ASP 69 -7.447 -4.238 -7.868 1258 HA ASP 69 HA ASP 69 -7.693 -6.383 -6.102 1259 1HB ASP 69 HB2 ASP 69 -6.412 -6.492 -8.198 1260 2HB ASP 69 HB1 ASP 69 -5.181 -5.437 -7.515 1261 H PHE 70 HN PHE 70 -5.620 -7.050 -4.626 1262 HA PHE 70 HA PHE 70 -5.659 -5.148 -2.455 1263 1HB PHE 70 HB2 PHE 70 -3.779 -6.884 -1.632 1264 2HB PHE 70 HB1 PHE 70 -5.496 -7.258 -1.560 1265 HD1 PHE 70 HD1 PHE 70 -6.272 -9.212 -2.581 1266 HD2 PHE 70 HD2 PHE 70 -2.596 -7.469 -3.941 1267 HE1 PHE 70 HE1 PHE 70 -5.941 -11.122 -4.124 1268 HE2 PHE 70 HE2 PHE 70 -2.262 -9.375 -5.487 1269 HZ PHE 70 HZ PHE 70 -3.934 -11.207 -5.579 1270 H GLN 71 HN GLN 71 -3.373 -5.831 -5.033 1271 HA GLN 71 HA GLN 71 -1.146 -4.493 -3.781 1272 1HB GLN 71 HB2 GLN 71 -0.111 -4.616 -6.056 1273 2HB GLN 71 HB1 GLN 71 -0.719 -6.167 -5.486 1274 1HG GLN 71 HG2 GLN 71 -1.551 -6.118 -7.673 1275 2HG GLN 71 HG1 GLN 71 -2.919 -5.486 -6.761 1276 1HE2 GLN 71 HE21 GLN 71 -3.152 -4.640 -9.229 1277 2HE2 GLN 71 HE22 GLN 71 -2.545 -3.076 -9.484 1278 H GLU 72 HN GLU 72 -3.683 -3.394 -6.071 1279 HA GLU 72 HA GLU 72 -2.396 -0.722 -6.129 1280 1HB GLU 72 HB2 GLU 72 -3.989 -0.127 -7.800 1281 2HB GLU 72 HB1 GLU 72 -3.459 -1.760 -8.185 1282 1HG GLU 72 HG2 GLU 72 -5.586 -2.392 -6.644 1283 2HG GLU 72 HG1 GLU 72 -6.124 -0.801 -7.189 1284 H PHE 73 HN PHE 73 -5.199 -2.379 -4.764 1285 HA PHE 73 HA PHE 73 -6.626 -0.191 -3.744 1286 1HB PHE 73 HB2 PHE 73 -7.551 -2.378 -3.412 1287 2HB PHE 73 HB1 PHE 73 -6.075 -2.936 -2.652 1288 HD1 PHE 73 HD1 PHE 73 -7.112 -3.806 -0.695 1289 HD2 PHE 73 HD2 PHE 73 -7.642 0.325 -1.776 1290 HE1 PHE 73 HE1 PHE 73 -8.064 -3.345 1.539 1291 HE2 PHE 73 HE2 PHE 73 -8.586 0.779 0.464 1292 HZ PHE 73 HZ PHE 73 -8.808 -1.067 2.108 1293 H MET 74 HN MET 74 -3.825 -1.864 -2.385 1294 HA MET 74 HA MET 74 -3.589 -0.237 -0.052 1295 1HB MET 74 HB2 MET 74 -2.317 -2.434 -0.987 1296 2HB MET 74 HB1 MET 74 -1.116 -1.230 -1.434 1297 1HG MET 74 HG2 MET 74 -1.550 -0.439 1.105 1298 2HG MET 74 HG1 MET 74 -1.988 -2.134 1.282 1299 1HE MET 74 HE1 MET 74 -0.104 -1.182 2.965 1300 2HE MET 74 HE2 MET 74 1.536 -1.791 2.784 1301 3HE MET 74 HE3 MET 74 0.188 -2.926 2.868 1302 H ALA 75 HN ALA 75 -2.236 -0.011 -3.301 1303 HA ALA 75 HA ALA 75 -0.687 2.328 -3.000 1304 1HB ALA 75 HB1 ALA 75 -0.986 0.915 -5.118 1305 2HB ALA 75 HB2 ALA 75 -0.849 2.660 -5.353 1306 3HB ALA 75 HB3 ALA 75 -2.424 1.885 -5.431 1307 H PHE 76 HN PHE 76 -4.111 2.026 -2.828 1308 HA PHE 76 HA PHE 76 -4.653 4.856 -3.366 1309 1HB PHE 76 HB2 PHE 76 -6.499 3.368 -3.746 1310 2HB PHE 76 HB1 PHE 76 -6.367 2.693 -2.127 1311 HD1 PHE 76 HD1 PHE 76 -6.595 6.122 -3.647 1312 HD2 PHE 76 HD2 PHE 76 -7.997 3.410 -0.618 1313 HE1 PHE 76 HE1 PHE 76 -8.122 7.870 -2.782 1314 HE2 PHE 76 HE2 PHE 76 -9.533 5.156 0.233 1315 HZ PHE 76 HZ PHE 76 -9.596 7.387 -0.850 1316 H VAL 77 HN VAL 77 -4.557 2.881 -0.381 1317 HA VAL 77 HA VAL 77 -4.940 5.028 1.439 1318 HB VAL 77 HB VAL 77 -3.397 2.430 1.676 1319 1HG1 VAL 77 HG11 VAL 77 -3.884 4.581 3.749 1320 2HG1 VAL 77 HG12 VAL 77 -2.335 3.892 3.266 1321 3HG1 VAL 77 HG13 VAL 77 -3.488 2.918 4.175 1322 1HG2 VAL 77 HG21 VAL 77 -5.298 1.741 3.010 1323 2HG2 VAL 77 HG22 VAL 77 -5.901 2.398 1.491 1324 3HG2 VAL 77 HG23 VAL 77 -5.970 3.371 2.965 1325 H SER 78 HN SER 78 -2.021 3.891 -0.215 1326 HA SER 78 HA SER 78 -0.178 5.540 1.225 1327 1HB SER 78 HB2 SER 78 1.100 4.060 0.068 1328 2HB SER 78 HB1 SER 78 -0.115 3.850 -1.188 1329 HG SER 78 HG SER 78 0.578 6.040 -1.868 1330 H MET 79 HN MET 79 -2.253 6.064 -1.517 1331 HA MET 79 HA MET 79 -1.054 8.573 -2.314 1332 1HB MET 79 HB2 MET 79 -2.607 7.088 -3.733 1333 2HB MET 79 HB1 MET 79 -3.930 7.731 -2.764 1334 1HG MET 79 HG2 MET 79 -3.860 9.792 -3.794 1335 2HG MET 79 HG1 MET 79 -2.107 9.786 -3.936 1336 1HE MET 79 HE1 MET 79 -5.190 8.758 -7.037 1337 2HE MET 79 HE2 MET 79 -4.990 10.187 -6.026 1338 3HE MET 79 HE3 MET 79 -5.479 8.663 -5.293 1339 H VAL 80 HN VAL 80 -3.323 7.517 0.029 1340 HA VAL 80 HA VAL 80 -4.258 10.222 0.698 1341 HB VAL 80 HB VAL 80 -4.728 7.530 2.036 1342 1HG1 VAL 80 HG11 VAL 80 -4.944 9.353 3.652 1343 2HG1 VAL 80 HG12 VAL 80 -6.538 8.722 3.253 1344 3HG1 VAL 80 HG13 VAL 80 -5.989 10.242 2.545 1345 1HG2 VAL 80 HG21 VAL 80 -5.723 7.890 -0.271 1346 2HG2 VAL 80 HG22 VAL 80 -6.667 9.206 0.431 1347 3HG2 VAL 80 HG23 VAL 80 -6.891 7.553 1.009 1348 H THR 81 HN THR 81 -2.053 7.700 1.791 1349 HA THR 81 HA THR 81 -1.365 9.051 4.258 1350 HB THR 81 HB THR 81 0.398 7.102 2.774 1351 HG1 THR 81 HG1 THR 81 -0.864 5.537 4.063 1352 1HG2 THR 81 HG21 THR 81 1.125 8.265 4.905 1353 2HG2 THR 81 HG22 THR 81 1.152 6.499 4.950 1354 3HG2 THR 81 HG23 THR 81 -0.166 7.383 5.718 1355 H THR 82 HN THR 82 -0.133 9.008 0.920 1356 HA THR 82 HA THR 82 2.305 10.402 1.480 1357 HB THR 82 HB THR 82 2.101 11.028 -0.992 1358 HG1 THR 82 HG1 THR 82 -0.143 9.311 -0.776 1359 1HG2 THR 82 HG21 THR 82 3.381 9.133 -0.719 1360 2HG2 THR 82 HG22 THR 82 1.999 8.414 -1.545 1361 3HG2 THR 82 HG23 THR 82 2.142 8.284 0.202 1362 H ALA 83 HN ALA 83 -0.970 11.622 0.656 1363 HA ALA 83 HA ALA 83 -0.163 14.354 0.423 1364 1HB ALA 83 HB1 ALA 83 -2.336 13.630 -0.408 1365 2HB ALA 83 HB2 ALA 83 -2.588 14.831 0.858 1366 3HB ALA 83 HB3 ALA 83 -2.823 13.118 1.208 1367 H CYS 84 HN CYS 84 -1.174 12.329 3.147 1368 HA CYS 84 HA CYS 84 -1.246 14.485 5.073 1369 1HB CYS 84 HB2 CYS 84 -2.352 12.366 5.568 1370 2HB CYS 84 HB1 CYS 84 -0.825 11.494 5.426 1371 HG CYS 84 HG CYS 84 0.011 12.884 7.548 1372 H HIS 85 HN HIS 85 1.294 12.841 3.494 1373 HA HIS 85 HA HIS 85 3.305 13.642 5.558 1374 1HB HIS 85 HB2 HIS 85 3.695 11.397 5.010 1375 2HB HIS 85 HB1 HIS 85 3.229 11.622 3.327 1376 HD1 HIS 85 HD1 HIS 85 5.344 10.861 2.178 1377 HD2 HIS 85 HD2 HIS 85 6.098 13.721 5.118 1378 HE1 HIS 85 HE1 HIS 85 7.777 11.524 1.928 1379 H GLU 86 HN GLU 86 2.404 14.074 2.156 1380 HA GLU 86 HA GLU 86 4.718 15.711 1.531 1381 1HB GLU 86 HB2 GLU 86 3.507 14.409 -0.189 1382 2HB GLU 86 HB1 GLU 86 2.086 15.419 0.062 1383 1HG GLU 86 HG2 GLU 86 3.146 17.341 -0.803 1384 2HG GLU 86 HG1 GLU 86 4.756 16.630 -0.658 1385 H PHE 87 HN PHE 87 1.288 16.472 2.184 1386 HA PHE 87 HA PHE 87 1.625 19.298 1.792 1387 1HB PHE 87 HB2 PHE 87 -0.440 17.606 3.201 1388 2HB PHE 87 HB1 PHE 87 -0.508 19.368 3.304 1389 HD1 PHE 87 HD1 PHE 87 0.138 16.777 0.649 1390 HD2 PHE 87 HD2 PHE 87 -1.893 20.403 1.732 1391 HE1 PHE 87 HE1 PHE 87 -0.888 16.875 -1.603 1392 HE2 PHE 87 HE2 PHE 87 -2.930 20.496 -0.517 1393 HZ PHE 87 HZ PHE 87 -2.425 18.734 -2.189 1394 H PHE 88 HN PHE 88 1.841 17.259 4.703 1395 HA PHE 88 HA PHE 88 2.453 19.612 6.371 1396 1HB PHE 88 HB2 PHE 88 2.343 16.643 6.956 1397 2HB PHE 88 HB1 PHE 88 2.763 17.860 8.163 1398 HD1 PHE 88 HD1 PHE 88 0.079 16.391 6.170 1399 HD2 PHE 88 HD2 PHE 88 1.110 19.573 8.854 1400 HE1 PHE 88 HE1 PHE 88 -2.329 16.845 6.550 1401 HE2 PHE 88 HE2 PHE 88 -1.294 20.023 9.249 1402 HZ PHE 88 HZ PHE 88 -3.017 18.664 8.095 1403 H GLU 89 HN GLU 89 4.211 18.499 4.085 1404 HA GLU 89 HA GLU 89 6.668 17.771 5.531 1405 1HB GLU 89 HB2 GLU 89 6.017 16.841 3.251 1406 2HB GLU 89 HB1 GLU 89 6.390 18.425 2.586 1407 1HG GLU 89 HG2 GLU 89 8.397 17.176 2.345 1408 2HG GLU 89 HG1 GLU 89 8.670 18.183 3.769 1409 H HIS 90 HN HIS 90 7.474 19.712 2.939 1410 HA HIS 90 HA HIS 90 8.643 21.708 4.679 1411 1HB HIS 90 HB2 HIS 90 9.663 21.101 2.521 1412 2HB HIS 90 HB1 HIS 90 8.255 21.738 1.671 1413 HD1 HIS 90 HD1 HIS 90 7.854 24.356 1.840 1414 HD2 HIS 90 HD2 HIS 90 11.502 23.042 3.372 1415 HE1 HIS 90 HE1 HIS 90 9.312 26.414 2.092 1416 HE2 HIS 90 HE2 HIS 90 11.530 25.625 3.030 1417 H GLU 91 HN GLU 91 7.098 22.863 5.813 1418 HA GLU 91 HA GLU 91 4.701 23.904 4.508 1419 1HB GLU 91 HB2 GLU 91 4.767 23.292 6.927 1420 2HB GLU 91 HB1 GLU 91 5.897 24.616 7.205 1421 1HG GLU 91 HG2 GLU 91 4.280 26.267 6.658 1422 2HG GLU 91 HG1 GLU 91 3.218 25.089 5.892 Start of MODEL 20 1 1H MET 0 HT1 MET 0 -8.708 1.729 16.714 2 2H MET 0 HT2 MET 0 -9.744 0.424 16.381 3 3H MET 0 HT3 MET 0 -9.912 1.298 17.829 4 HA MET 0 HA MET 0 -11.634 1.909 16.240 5 1HB MET 0 HB2 MET 0 -9.530 4.032 16.771 6 2HB MET 0 HB1 MET 0 -11.193 4.362 16.283 7 1HG MET 0 HG2 MET 0 -11.923 3.014 18.320 8 2HG MET 0 HG1 MET 0 -10.241 3.067 18.845 9 1HE MET 0 HE1 MET 0 -9.485 6.516 19.915 10 2HE MET 0 HE2 MET 0 -8.889 5.460 18.635 11 3HE MET 0 HE3 MET 0 -9.281 4.786 20.215 12 H SER 1 HN SER 1 -9.028 3.917 15.038 13 HA SER 1 HA SER 1 -9.797 3.184 12.262 14 1HB SER 1 HB2 SER 1 -7.976 5.110 11.854 15 2HB SER 1 HB1 SER 1 -9.640 5.489 12.295 16 HG SER 1 HG SER 1 -8.317 4.995 14.529 17 H GLU 2 HN GLU 2 -8.849 1.082 12.311 18 HA GLU 2 HA GLU 2 -6.179 0.416 12.930 19 1HB GLU 2 HB2 GLU 2 -8.027 -0.665 10.789 20 2HB GLU 2 HB1 GLU 2 -6.441 -1.366 11.115 21 1HG GLU 2 HG2 GLU 2 -7.081 -1.796 13.441 22 2HG GLU 2 HG1 GLU 2 -8.646 -1.028 13.171 23 H LEU 3 HN LEU 3 -7.502 2.010 10.086 24 HA LEU 3 HA LEU 3 -5.093 1.848 8.514 25 1HB LEU 3 HB2 LEU 3 -7.742 3.114 8.302 26 2HB LEU 3 HB1 LEU 3 -6.476 4.060 7.536 27 HG LEU 3 HG LEU 3 -7.550 2.478 5.963 28 1HD1 LEU 3 HD11 LEU 3 -4.788 1.369 6.312 29 2HD1 LEU 3 HD12 LEU 3 -4.963 3.102 6.031 30 3HD1 LEU 3 HD13 LEU 3 -5.607 1.949 4.871 31 1HD2 LEU 3 HD21 LEU 3 -7.479 0.142 6.218 32 2HD2 LEU 3 HD22 LEU 3 -7.916 0.720 7.825 33 3HD2 LEU 3 HD23 LEU 3 -6.263 0.211 7.486 34 H GLU 4 HN GLU 4 -6.024 3.905 11.135 35 HA GLU 4 HA GLU 4 -4.373 6.168 10.415 36 1HB GLU 4 HB2 GLU 4 -6.109 6.543 12.025 37 2HB GLU 4 HB1 GLU 4 -5.551 5.219 13.042 38 1HG GLU 4 HG2 GLU 4 -3.679 7.509 12.455 39 2HG GLU 4 HG1 GLU 4 -4.938 7.715 13.671 40 H LYS 5 HN LYS 5 -3.865 3.198 12.234 41 HA LYS 5 HA LYS 5 -1.222 3.912 13.180 42 1HB LYS 5 HB2 LYS 5 -2.813 1.354 12.988 43 2HB LYS 5 HB1 LYS 5 -1.114 1.305 13.462 44 1HG LYS 5 HG2 LYS 5 -1.512 2.265 15.513 45 2HG LYS 5 HG1 LYS 5 -2.743 3.356 14.886 46 1HD LYS 5 HD2 LYS 5 -3.334 0.405 15.075 47 2HD LYS 5 HD1 LYS 5 -3.444 1.413 16.517 48 1HE LYS 5 HE2 LYS 5 -5.104 2.829 15.508 49 2HE LYS 5 HE1 LYS 5 -4.854 2.099 13.922 50 1HZ LYS 5 HZ1 LYS 5 -6.832 1.227 15.003 51 2HZ LYS 5 HZ2 LYS 5 -5.904 0.701 16.325 52 3HZ LYS 5 HZ3 LYS 5 -5.675 0.004 14.792 53 H ALA 6 HN ALA 6 -2.407 1.872 10.508 54 HA ALA 6 HA ALA 6 0.115 1.086 9.512 55 1HB ALA 6 HB1 ALA 6 -2.397 1.646 7.920 56 2HB ALA 6 HB2 ALA 6 -2.011 0.120 8.714 57 3HB ALA 6 HB3 ALA 6 -1.020 0.689 7.372 58 H MET 7 HN MET 7 -1.886 3.800 8.331 59 HA MET 7 HA MET 7 -0.018 4.823 6.495 60 1HB MET 7 HB2 MET 7 -2.040 6.273 8.235 61 2HB MET 7 HB1 MET 7 -1.106 7.081 6.979 62 1HG MET 7 HG2 MET 7 -2.019 5.150 5.442 63 2HG MET 7 HG1 MET 7 -3.249 4.992 6.691 64 1HE MET 7 HE1 MET 7 -5.722 7.548 5.932 65 2HE MET 7 HE2 MET 7 -4.912 7.020 7.404 66 3HE MET 7 HE3 MET 7 -5.342 5.837 6.171 67 H VAL 8 HN VAL 8 -0.222 5.301 9.996 68 HA VAL 8 HA VAL 8 1.890 7.281 10.108 69 HB VAL 8 HB VAL 8 0.640 5.433 12.156 70 1HG1 VAL 8 HG11 VAL 8 1.902 6.908 13.833 71 2HG1 VAL 8 HG12 VAL 8 2.932 7.380 12.481 72 3HG1 VAL 8 HG13 VAL 8 2.858 5.691 12.989 73 1HG2 VAL 8 HG21 VAL 8 -0.575 7.465 11.199 74 2HG2 VAL 8 HG22 VAL 8 0.650 8.454 11.993 75 3HG2 VAL 8 HG23 VAL 8 -0.412 7.427 12.955 76 H ALA 9 HN ALA 9 1.796 3.788 10.719 77 HA ALA 9 HA ALA 9 4.512 3.391 11.353 78 1HB ALA 9 HB1 ALA 9 2.905 1.459 9.689 79 2HB ALA 9 HB2 ALA 9 2.562 1.714 11.397 80 3HB ALA 9 HB3 ALA 9 4.131 1.091 10.898 81 H LEU 10 HN LEU 10 2.968 3.714 8.163 82 HA LEU 10 HA LEU 10 5.436 3.014 6.763 83 1HB LEU 10 HB2 LEU 10 2.702 3.950 5.933 84 2HB LEU 10 HB1 LEU 10 4.023 4.086 4.775 85 HG LEU 10 HG LEU 10 4.499 1.585 5.322 86 1HD1 LEU 10 HD11 LEU 10 1.626 1.799 6.269 87 2HD1 LEU 10 HD12 LEU 10 3.013 1.539 7.328 88 3HD1 LEU 10 HD13 LEU 10 2.577 0.320 6.130 89 1HD2 LEU 10 HD21 LEU 10 2.557 0.904 3.778 90 2HD2 LEU 10 HD22 LEU 10 3.671 2.126 3.168 91 3HD2 LEU 10 HD23 LEU 10 2.098 2.608 3.802 92 H ILE 11 HN ILE 11 3.717 6.132 7.315 93 HA ILE 11 HA ILE 11 5.260 7.839 5.816 94 HB ILE 11 HB ILE 11 4.139 8.158 8.609 95 1HG1 ILE 11 HG12 ILE 11 2.771 8.051 6.358 96 2HG1 ILE 11 HG11 ILE 11 2.357 9.255 7.571 97 1HG2 ILE 11 HG21 ILE 11 5.784 10.134 7.032 98 2HG2 ILE 11 HG22 ILE 11 5.902 9.711 8.739 99 3HG2 ILE 11 HG23 ILE 11 4.550 10.687 8.166 100 1HD1 ILE 11 HD11 ILE 11 4.307 9.888 5.347 101 2HD1 ILE 11 HD12 ILE 11 3.406 11.006 6.365 102 3HD1 ILE 11 HD13 ILE 11 2.568 10.073 5.130 103 H ASP 12 HN ASP 12 6.144 6.665 9.098 104 HA ASP 12 HA ASP 12 8.682 8.004 9.153 105 1HB ASP 12 HB2 ASP 12 7.568 7.081 11.175 106 2HB ASP 12 HB1 ASP 12 7.868 5.450 10.574 107 H VAL 13 HN VAL 13 7.806 4.649 8.302 108 HA VAL 13 HA VAL 13 10.504 3.930 7.549 109 HB VAL 13 HB VAL 13 7.898 2.615 6.703 110 1HG1 VAL 13 HG11 VAL 13 9.508 0.568 6.799 111 2HG1 VAL 13 HG12 VAL 13 10.795 1.770 6.710 112 3HG1 VAL 13 HG13 VAL 13 9.611 1.651 5.408 113 1HG2 VAL 13 HG21 VAL 13 8.081 1.256 8.690 114 2HG2 VAL 13 HG22 VAL 13 8.181 2.937 9.205 115 3HG2 VAL 13 HG23 VAL 13 9.645 1.961 9.095 116 H PHE 14 HN PHE 14 7.844 5.448 5.930 117 HA PHE 14 HA PHE 14 8.816 4.982 3.216 118 1HB PHE 14 HB2 PHE 14 6.479 5.539 3.468 119 2HB PHE 14 HB1 PHE 14 6.871 7.023 4.333 120 HD1 PHE 14 HD1 PHE 14 6.658 8.991 3.068 121 HD2 PHE 14 HD2 PHE 14 7.889 5.368 1.111 122 HE1 PHE 14 HE1 PHE 14 6.816 10.205 0.917 123 HE2 PHE 14 HE2 PHE 14 8.040 6.585 -1.042 124 HZ PHE 14 HZ PHE 14 7.504 9.003 -1.140 125 H HIS 15 HN HIS 15 8.923 7.822 5.385 126 HA HIS 15 HA HIS 15 10.628 9.296 3.566 127 1HB HIS 15 HB2 HIS 15 9.010 9.953 5.716 128 2HB HIS 15 HB1 HIS 15 10.610 10.161 6.410 129 HD1 HIS 15 HD1 HIS 15 8.674 12.553 5.794 130 HD2 HIS 15 HD2 HIS 15 11.756 11.304 3.277 131 HE1 HIS 15 HE1 HIS 15 9.257 14.536 4.335 132 H GLN 16 HN GLN 16 11.204 7.181 6.328 133 HA GLN 16 HA GLN 16 13.917 7.962 6.824 134 1HB GLN 16 HB2 GLN 16 12.339 5.442 7.350 135 2HB GLN 16 HB1 GLN 16 14.050 5.543 7.763 136 1HG GLN 16 HG2 GLN 16 12.114 7.681 8.668 137 2HG GLN 16 HG1 GLN 16 12.306 6.189 9.585 138 1HE2 GLN 16 HE21 GLN 16 14.141 9.006 8.346 139 2HE2 GLN 16 HE22 GLN 16 15.384 8.901 9.498 140 H TYR 17 HN TYR 17 12.551 5.397 4.751 141 HA TYR 17 HA TYR 17 15.243 4.729 3.730 142 1HB TYR 17 HB2 TYR 17 12.459 3.662 3.248 143 2HB TYR 17 HB1 TYR 17 13.794 3.208 2.190 144 HD1 TYR 17 HD1 TYR 17 15.496 1.684 2.904 145 HD2 TYR 17 HD2 TYR 17 12.594 3.157 5.708 146 HE1 TYR 17 HE1 TYR 17 16.273 0.027 4.577 147 HE2 TYR 17 HE2 TYR 17 13.370 1.497 7.381 148 HH TYR 17 HH TYR 17 15.259 0.140 7.885 149 H SER 18 HN SER 18 12.188 5.910 2.260 150 HA SER 18 HA SER 18 13.266 6.520 -0.273 151 1HB SER 18 HB2 SER 18 11.388 7.943 -0.589 152 2HB SER 18 HB1 SER 18 10.824 6.709 0.532 153 HG SER 18 HG SER 18 10.500 8.243 1.917 154 H GLY 19 HN GLY 19 13.626 8.121 2.803 155 1HA GLY 19 HA2 GLY 19 14.978 10.459 1.554 156 2HA GLY 19 HA1 GLY 19 14.511 10.323 3.247 157 H ARG 20 HN ARG 20 15.941 7.410 2.368 158 HA ARG 20 HA ARG 20 18.252 7.863 4.000 159 1HB ARG 20 HB2 ARG 20 17.350 5.610 3.594 160 2HB ARG 20 HB1 ARG 20 17.761 5.738 1.888 161 1HG ARG 20 HG2 ARG 20 20.189 6.043 2.618 162 2HG ARG 20 HG1 ARG 20 19.663 5.624 4.247 163 1HD ARG 20 HD2 ARG 20 18.652 3.510 3.202 164 2HD ARG 20 HD1 ARG 20 19.581 3.913 1.757 165 HE ARG 20 HE ARG 20 21.564 3.313 2.913 166 1HH1 ARG 20 HH21 ARG 20 18.832 3.582 4.999 167 2HH1 ARG 20 HH22 ARG 20 19.643 2.901 6.368 168 1HH2 ARG 20 HH11 ARG 20 22.643 2.432 4.690 169 2HH2 ARG 20 HH12 ARG 20 21.804 2.251 6.195 170 H GLU 21 HN GLU 21 17.803 7.812 0.472 171 HA GLU 21 HA GLU 21 20.078 9.649 0.169 172 1HB GLU 21 HB2 GLU 21 21.273 8.017 -1.411 173 2HB GLU 21 HB1 GLU 21 21.404 7.688 0.317 174 1HG GLU 21 HG2 GLU 21 19.904 5.884 0.230 175 2HG GLU 21 HG1 GLU 21 19.162 6.437 -1.271 176 H GLY 22 HN GLY 22 20.561 10.038 -2.210 177 1HA GLY 22 HA2 GLY 22 19.816 10.750 -4.302 178 2HA GLY 22 HA1 GLY 22 18.831 9.297 -4.318 179 H ASP 23 HN ASP 23 17.512 11.063 -5.550 180 HA ASP 23 HA ASP 23 16.211 13.223 -4.418 181 1HB ASP 23 HB2 ASP 23 15.892 12.271 -6.757 182 2HB ASP 23 HB1 ASP 23 14.747 11.133 -6.047 183 H LYS 24 HN LYS 24 15.518 13.220 -2.325 184 HA LYS 24 HA LYS 24 14.527 11.062 -0.838 185 1HB LYS 24 HB2 LYS 24 13.668 13.959 -0.602 186 2HB LYS 24 HB1 LYS 24 13.539 12.729 0.656 187 1HG LYS 24 HG2 LYS 24 16.055 12.438 0.478 188 2HG LYS 24 HG1 LYS 24 16.071 13.877 -0.542 189 1HD LYS 24 HD2 LYS 24 15.105 15.216 1.244 190 2HD LYS 24 HD1 LYS 24 14.912 13.786 2.257 191 1HE LYS 24 HE2 LYS 24 17.334 13.479 2.349 192 2HE LYS 24 HE1 LYS 24 17.573 14.835 1.247 193 1HZ LYS 24 HZ1 LYS 24 17.751 16.006 3.131 194 2HZ LYS 24 HZ2 LYS 24 16.959 14.833 4.071 195 3HZ LYS 24 HZ3 LYS 24 16.057 15.944 3.155 196 H HIS 25 HN HIS 25 12.195 10.867 -0.035 197 HA HIS 25 HA HIS 25 9.931 10.503 -0.447 198 1HB HIS 25 HB2 HIS 25 10.007 12.314 -2.845 199 2HB HIS 25 HB1 HIS 25 8.742 12.122 -1.633 200 HD2 HIS 25 HD2 HIS 25 11.493 14.591 -2.411 201 HE1 HIS 25 HE1 HIS 25 10.797 15.002 1.734 202 HE2 HIS 25 HE2 HIS 25 11.921 16.044 -0.288 203 H LYS 26 HN LYS 26 12.333 9.464 -2.413 204 HA LYS 26 HA LYS 26 10.413 7.902 -4.098 205 1HB LYS 26 HB2 LYS 26 13.088 9.117 -4.827 206 2HB LYS 26 HB1 LYS 26 12.341 7.830 -5.773 207 1HG LYS 26 HG2 LYS 26 10.797 10.318 -5.073 208 2HG LYS 26 HG1 LYS 26 11.890 10.309 -6.452 209 1HD LYS 26 HD2 LYS 26 10.475 9.035 -7.728 210 2HD LYS 26 HD1 LYS 26 10.094 7.949 -6.396 211 1HE LYS 26 HE2 LYS 26 8.966 10.740 -6.404 212 2HE LYS 26 HE1 LYS 26 8.208 9.479 -7.374 213 1HZ LYS 26 HZ1 LYS 26 8.260 9.819 -4.511 214 2HZ LYS 26 HZ2 LYS 26 8.588 8.234 -5.027 215 3HZ LYS 26 HZ3 LYS 26 7.142 8.998 -5.488 216 H LEU 27 HN LEU 27 10.883 5.746 -4.299 217 HA LEU 27 HA LEU 27 12.794 4.663 -2.298 218 1HB LEU 27 HB2 LEU 27 10.302 3.925 -2.681 219 2HB LEU 27 HB1 LEU 27 10.968 2.984 -4.007 220 HG LEU 27 HG LEU 27 12.096 2.798 -1.193 221 1HD1 LEU 27 HD11 LEU 27 9.872 2.152 -0.841 222 2HD1 LEU 27 HD12 LEU 27 10.702 0.628 -1.143 223 3HD1 LEU 27 HD13 LEU 27 9.741 1.379 -2.419 224 1HD2 LEU 27 HD21 LEU 27 12.213 1.071 -3.687 225 2HD2 LEU 27 HD22 LEU 27 12.723 0.504 -2.101 226 3HD2 LEU 27 HD23 LEU 27 13.553 1.853 -2.855 227 H LYS 28 HN LYS 28 14.742 3.931 -2.897 228 HA LYS 28 HA LYS 28 15.269 3.338 -5.801 229 1HB LYS 28 HB2 LYS 28 17.480 3.836 -3.827 230 2HB LYS 28 HB1 LYS 28 17.427 4.167 -5.559 231 1HG LYS 28 HG2 LYS 28 15.491 5.852 -4.854 232 2HG LYS 28 HG1 LYS 28 16.289 5.768 -3.283 233 1HD LYS 28 HD2 LYS 28 17.471 6.663 -5.917 234 2HD LYS 28 HD1 LYS 28 17.262 7.609 -4.448 235 1HE LYS 28 HE2 LYS 28 19.512 7.079 -4.228 236 2HE LYS 28 HE1 LYS 28 18.824 5.671 -3.431 237 1HZ LYS 28 HZ1 LYS 28 19.147 5.569 -6.332 238 2HZ LYS 28 HZ2 LYS 28 19.301 4.331 -5.179 239 3HZ LYS 28 HZ3 LYS 28 20.551 5.463 -5.387 240 H LYS 29 HN LYS 29 16.733 1.520 -6.249 241 HA LYS 29 HA LYS 29 16.073 -0.881 -4.977 242 1HB LYS 29 HB2 LYS 29 17.188 -1.013 -7.077 243 2HB LYS 29 HB1 LYS 29 18.555 -0.062 -6.497 244 1HG LYS 29 HG2 LYS 29 19.367 -1.845 -5.163 245 2HG LYS 29 HG1 LYS 29 17.843 -2.718 -5.266 246 1HD LYS 29 HD2 LYS 29 19.671 -3.660 -6.719 247 2HD LYS 29 HD1 LYS 29 18.200 -3.233 -7.591 248 1HE LYS 29 HE2 LYS 29 20.425 -1.215 -7.327 249 2HE LYS 29 HE1 LYS 29 20.521 -2.479 -8.553 250 1HZ LYS 29 HZ1 LYS 29 18.145 -1.745 -9.122 251 2HZ LYS 29 HZ2 LYS 29 19.440 -0.773 -9.638 252 3HZ LYS 29 HZ3 LYS 29 18.528 -0.326 -8.276 253 H SER 30 HN SER 30 18.854 1.265 -4.269 254 HA SER 30 HA SER 30 20.011 -0.319 -2.211 255 1HB SER 30 HB2 SER 30 19.940 2.659 -2.714 256 2HB SER 30 HB1 SER 30 20.754 1.998 -1.297 257 HG SER 30 HG SER 30 21.356 1.735 -4.024 258 H GLU 31 HN GLU 31 17.100 1.454 -2.343 259 HA GLU 31 HA GLU 31 16.748 1.375 0.633 260 1HB GLU 31 HB2 GLU 31 15.249 2.807 -1.574 261 2HB GLU 31 HB1 GLU 31 14.638 2.702 0.076 262 1HG GLU 31 HG2 GLU 31 16.482 3.910 0.952 263 2HG GLU 31 HG1 GLU 31 17.428 3.691 -0.521 264 H LEU 32 HN LEU 32 15.692 -0.084 -2.332 265 HA LEU 32 HA LEU 32 13.433 -1.420 -1.026 266 1HB LEU 32 HB2 LEU 32 13.914 -0.802 -3.631 267 2HB LEU 32 HB1 LEU 32 14.501 -2.460 -3.622 268 HG LEU 32 HG LEU 32 11.752 -1.539 -2.727 269 1HD1 LEU 32 HD11 LEU 32 12.569 -3.252 -5.092 270 2HD1 LEU 32 HD12 LEU 32 12.184 -1.534 -5.201 271 3HD1 LEU 32 HD13 LEU 32 10.943 -2.685 -4.708 272 1HD2 LEU 32 HD21 LEU 32 12.274 -3.423 -1.394 273 2HD2 LEU 32 HD22 LEU 32 13.143 -4.223 -2.704 274 3HD2 LEU 32 HD23 LEU 32 11.383 -4.104 -2.752 275 H LYS 33 HN LYS 33 16.469 -2.612 -2.490 276 HA LYS 33 HA LYS 33 16.205 -5.210 -1.315 277 1HB LYS 33 HB2 LYS 33 17.682 -4.848 -3.199 278 2HB LYS 33 HB1 LYS 33 18.643 -3.691 -2.286 279 1HG LYS 33 HG2 LYS 33 18.351 -6.404 -1.056 280 2HG LYS 33 HG1 LYS 33 19.312 -6.330 -2.529 281 1HD LYS 33 HD2 LYS 33 19.815 -4.330 -0.336 282 2HD LYS 33 HD1 LYS 33 20.475 -5.954 -0.198 283 1HE LYS 33 HE2 LYS 33 21.524 -5.637 -2.467 284 2HE LYS 33 HE1 LYS 33 20.976 -3.959 -2.422 285 1HZ LYS 33 HZ1 LYS 33 22.680 -3.428 -1.134 286 2HZ LYS 33 HZ2 LYS 33 23.289 -5.003 -1.320 287 3HZ LYS 33 HZ3 LYS 33 22.279 -4.628 -0.006 288 H GLU 34 HN GLU 34 17.689 -2.213 -0.137 289 HA GLU 34 HA GLU 34 18.844 -3.514 2.204 290 1HB GLU 34 HB2 GLU 34 19.623 -1.299 1.263 291 2HB GLU 34 HB1 GLU 34 18.165 -0.579 1.957 292 1HG GLU 34 HG2 GLU 34 18.832 -1.331 4.191 293 2HG GLU 34 HG1 GLU 34 20.264 -2.111 3.516 294 H LEU 35 HN LEU 35 15.766 -2.036 1.455 295 HA LEU 35 HA LEU 35 14.858 -1.961 4.221 296 1HB LEU 35 HB2 LEU 35 13.822 -0.446 2.640 297 2HB LEU 35 HB1 LEU 35 13.425 -1.778 1.552 298 HG LEU 35 HG LEU 35 11.859 -2.701 3.221 299 1HD1 LEU 35 HD11 LEU 35 12.845 -2.038 5.294 300 2HD1 LEU 35 HD12 LEU 35 11.309 -1.184 5.194 301 3HD1 LEU 35 HD13 LEU 35 12.814 -0.335 4.844 302 1HD2 LEU 35 HD21 LEU 35 10.157 -1.000 3.035 303 2HD2 LEU 35 HD22 LEU 35 11.123 -0.969 1.560 304 3HD2 LEU 35 HD23 LEU 35 11.374 0.259 2.802 305 H ILE 36 HN ILE 36 14.736 -4.151 1.511 306 HA ILE 36 HA ILE 36 12.898 -6.089 2.453 307 HB ILE 36 HB ILE 36 15.312 -6.273 0.668 308 1HG1 ILE 36 HG12 ILE 36 12.961 -4.966 0.203 309 2HG1 ILE 36 HG11 ILE 36 13.891 -5.737 -1.076 310 1HG2 ILE 36 HG21 ILE 36 14.986 -8.485 1.459 311 2HG2 ILE 36 HG22 ILE 36 14.182 -8.405 -0.108 312 3HG2 ILE 36 HG23 ILE 36 13.231 -8.338 1.370 313 1HD1 ILE 36 HD11 ILE 36 11.418 -6.268 -1.052 314 2HD1 ILE 36 HD12 ILE 36 11.686 -7.138 0.458 315 3HD1 ILE 36 HD13 ILE 36 12.473 -7.681 -1.025 316 H ASN 37 HN ASN 37 16.403 -5.856 2.825 317 HA ASN 37 HA ASN 37 16.553 -8.225 4.519 318 1HB ASN 37 HB2 ASN 37 18.421 -7.629 3.059 319 2HB ASN 37 HB1 ASN 37 18.616 -6.095 3.907 320 1HD2 ASN 37 HD21 ASN 37 17.858 -9.202 5.491 321 2HD2 ASN 37 HD22 ASN 37 19.317 -9.306 6.352 322 H ASN 38 HN ASN 38 16.106 -4.809 5.139 323 HA ASN 38 HA ASN 38 16.961 -5.118 7.966 324 1HB ASN 38 HB2 ASN 38 17.576 -3.102 6.627 325 2HB ASN 38 HB1 ASN 38 15.868 -2.667 6.571 326 1HD2 ASN 38 HD21 ASN 38 14.795 -2.208 8.694 327 2HD2 ASN 38 HD22 ASN 38 15.733 -1.687 10.009 328 H GLU 39 HN GLU 39 13.898 -4.273 6.259 329 HA GLU 39 HA GLU 39 12.482 -4.595 8.900 330 1HB GLU 39 HB2 GLU 39 12.310 -2.436 7.491 331 2HB GLU 39 HB1 GLU 39 11.297 -3.384 6.401 332 1HG GLU 39 HG2 GLU 39 9.781 -2.356 7.907 333 2HG GLU 39 HG1 GLU 39 9.938 -4.013 8.492 334 H LEU 40 HN LEU 40 11.665 -5.183 5.436 335 HA LEU 40 HA LEU 40 9.803 -7.302 6.178 336 1HB LEU 40 HB2 LEU 40 11.011 -6.442 3.548 337 2HB LEU 40 HB1 LEU 40 9.887 -7.771 3.669 338 HG LEU 40 HG LEU 40 8.760 -5.690 3.016 339 1HD1 LEU 40 HD11 LEU 40 6.905 -5.970 4.359 340 2HD1 LEU 40 HD12 LEU 40 7.843 -6.158 5.836 341 3HD1 LEU 40 HD13 LEU 40 7.756 -7.481 4.670 342 1HD2 LEU 40 HD21 LEU 40 8.760 -3.740 4.322 343 2HD2 LEU 40 HD22 LEU 40 10.441 -4.266 4.367 344 3HD2 LEU 40 HD23 LEU 40 9.385 -4.575 5.745 345 H SER 41 HN SER 41 12.606 -7.564 7.155 346 HA SER 41 HA SER 41 13.636 -9.882 5.639 347 1HB SER 41 HB2 SER 41 15.650 -9.260 6.506 348 2HB SER 41 HB1 SER 41 14.825 -7.820 7.090 349 HG SER 41 HG SER 41 15.179 -8.549 9.013 350 H HIS 42 HN HIS 42 11.629 -9.280 8.399 351 HA HIS 42 HA HIS 42 12.261 -11.897 9.634 352 1HB HIS 42 HB2 HIS 42 10.261 -9.748 10.395 353 2HB HIS 42 HB1 HIS 42 10.608 -11.197 11.339 354 HD1 HIS 42 HD1 HIS 42 12.212 -7.977 10.174 355 HD2 HIS 42 HD2 HIS 42 12.989 -11.088 12.843 356 HE1 HIS 42 HE1 HIS 42 14.213 -7.257 11.553 357 HE2 HIS 42 HE2 HIS 42 14.694 -9.143 13.179 358 H PHE 43 HN PHE 43 9.922 -10.473 7.484 359 HA PHE 43 HA PHE 43 8.202 -12.928 7.684 360 1HB PHE 43 HB2 PHE 43 7.568 -10.175 6.571 361 2HB PHE 43 HB1 PHE 43 6.459 -11.546 6.592 362 HD1 PHE 43 HD1 PHE 43 5.376 -12.263 8.630 363 HD2 PHE 43 HD2 PHE 43 8.281 -9.099 8.687 364 HE1 PHE 43 HE1 PHE 43 4.691 -11.675 10.940 365 HE2 PHE 43 HE2 PHE 43 7.598 -8.514 10.997 366 HZ PHE 43 HZ PHE 43 5.801 -9.800 12.124 367 H LEU 44 HN LEU 44 10.282 -11.044 5.653 368 HA LEU 44 HA LEU 44 9.581 -12.753 3.303 369 1HB LEU 44 HB2 LEU 44 9.758 -10.010 3.473 370 2HB LEU 44 HB1 LEU 44 11.345 -10.420 2.841 371 HG LEU 44 HG LEU 44 10.227 -11.724 1.022 372 1HD1 LEU 44 HD11 LEU 44 7.797 -10.870 2.552 373 2HD1 LEU 44 HD12 LEU 44 8.083 -12.347 1.631 374 3HD1 LEU 44 HD13 LEU 44 7.683 -10.856 0.792 375 1HD2 LEU 44 HD21 LEU 44 9.282 -8.843 1.228 376 2HD2 LEU 44 HD22 LEU 44 9.565 -9.759 -0.255 377 3HD2 LEU 44 HD23 LEU 44 10.922 -9.325 0.783 378 H GLU 45 HN GLU 45 11.145 -14.122 2.517 379 HA GLU 45 HA GLU 45 13.307 -14.964 4.065 380 1HB GLU 45 HB2 GLU 45 12.360 -16.061 1.954 381 2HB GLU 45 HB1 GLU 45 13.397 -14.965 1.042 382 1HG GLU 45 HG2 GLU 45 15.368 -15.821 2.286 383 2HG GLU 45 HG1 GLU 45 14.319 -16.956 3.137 384 H GLU 46 HN GLU 46 15.364 -14.236 4.419 385 HA GLU 46 HA GLU 46 16.082 -11.554 3.914 386 1HB GLU 46 HB2 GLU 46 17.770 -13.987 4.533 387 2HB GLU 46 HB1 GLU 46 18.443 -12.358 4.432 388 1HG GLU 46 HG2 GLU 46 16.794 -11.614 6.151 389 2HG GLU 46 HG1 GLU 46 16.250 -13.284 6.307 390 H ILE 47 HN ILE 47 15.891 -10.958 1.740 391 HA ILE 47 HA ILE 47 17.070 -12.486 -0.420 392 HB ILE 47 HB ILE 47 16.076 -9.641 -0.198 393 1HG1 ILE 47 HG12 ILE 47 15.002 -12.135 -1.549 394 2HG1 ILE 47 HG11 ILE 47 14.376 -11.414 -0.073 395 1HG2 ILE 47 HG21 ILE 47 17.773 -9.599 -1.915 396 2HG2 ILE 47 HG22 ILE 47 16.204 -9.597 -2.702 397 3HG2 ILE 47 HG23 ILE 47 17.148 -11.087 -2.628 398 1HD1 ILE 47 HD11 ILE 47 14.431 -9.406 -2.174 399 2HD1 ILE 47 HD12 ILE 47 13.051 -10.038 -1.268 400 3HD1 ILE 47 HD13 ILE 47 13.586 -10.852 -2.730 401 H LYS 48 HN LYS 48 19.196 -12.570 -0.918 402 HA LYS 48 HA LYS 48 21.022 -10.434 0.146 403 1HB LYS 48 HB2 LYS 48 21.547 -13.338 -0.563 404 2HB LYS 48 HB1 LYS 48 22.801 -12.183 -0.109 405 1HG LYS 48 HG2 LYS 48 21.637 -11.794 2.051 406 2HG LYS 48 HG1 LYS 48 20.436 -13.008 1.605 407 1HD LYS 48 HD2 LYS 48 22.409 -14.621 1.302 408 2HD LYS 48 HD1 LYS 48 23.384 -13.414 2.141 409 1HE LYS 48 HE2 LYS 48 21.841 -13.503 4.066 410 2HE LYS 48 HE1 LYS 48 20.866 -14.711 3.230 411 1HZ LYS 48 HZ1 LYS 48 22.196 -16.133 4.320 412 2HZ LYS 48 HZ2 LYS 48 23.429 -14.989 4.553 413 3HZ LYS 48 HZ3 LYS 48 23.293 -15.804 3.069 414 H GLU 49 HN GLU 49 19.650 -11.832 -2.638 415 HA GLU 49 HA GLU 49 21.737 -10.617 -4.419 416 1HB GLU 49 HB2 GLU 49 19.560 -12.574 -5.204 417 2HB GLU 49 HB1 GLU 49 20.970 -12.098 -6.148 418 1HG GLU 49 HG2 GLU 49 21.550 -14.211 -5.240 419 2HG GLU 49 HG1 GLU 49 22.380 -13.042 -4.213 420 H GLN 50 HN GLN 50 21.122 -8.881 -5.654 421 HA GLN 50 HA GLN 50 18.594 -7.595 -5.138 422 1HB GLN 50 HB2 GLN 50 20.531 -7.061 -7.408 423 2HB GLN 50 HB1 GLN 50 19.309 -5.956 -6.780 424 1HG GLN 50 HG2 GLN 50 20.450 -5.815 -4.644 425 2HG GLN 50 HG1 GLN 50 21.601 -7.059 -5.133 426 1HE2 GLN 50 HE21 GLN 50 22.792 -6.441 -7.331 427 2HE2 GLN 50 HE22 GLN 50 23.310 -4.829 -7.446 428 H GLU 51 HN GLU 51 19.625 -9.991 -7.406 429 HA GLU 51 HA GLU 51 18.142 -9.665 -9.657 430 1HB GLU 51 HB2 GLU 51 18.436 -12.194 -8.028 431 2HB GLU 51 HB1 GLU 51 17.796 -12.162 -9.671 432 1HG GLU 51 HG2 GLU 51 19.858 -11.356 -10.564 433 2HG GLU 51 HG1 GLU 51 20.483 -10.975 -8.959 434 H VAL 52 HN VAL 52 16.764 -10.746 -6.552 435 HA VAL 52 HA VAL 52 14.123 -11.000 -7.710 436 HB VAL 52 HB VAL 52 14.569 -10.431 -4.781 437 1HG1 VAL 52 HG11 VAL 52 12.789 -12.182 -4.577 438 2HG1 VAL 52 HG12 VAL 52 12.733 -12.282 -6.337 439 3HG1 VAL 52 HG13 VAL 52 12.277 -10.785 -5.524 440 1HG2 VAL 52 HG21 VAL 52 15.002 -12.927 -4.528 441 2HG2 VAL 52 HG22 VAL 52 16.335 -11.982 -5.190 442 3HG2 VAL 52 HG23 VAL 52 15.329 -12.956 -6.263 443 H VAL 53 HN VAL 53 15.942 -8.513 -6.058 444 HA VAL 53 HA VAL 53 13.761 -6.637 -5.919 445 HB VAL 53 HB VAL 53 16.767 -6.295 -5.835 446 1HG1 VAL 53 HG11 VAL 53 14.582 -4.238 -5.927 447 2HG1 VAL 53 HG12 VAL 53 16.205 -4.181 -6.614 448 3HG1 VAL 53 HG13 VAL 53 15.971 -3.942 -4.880 449 1HG2 VAL 53 HG21 VAL 53 16.495 -6.795 -3.630 450 2HG2 VAL 53 HG22 VAL 53 14.762 -6.995 -3.863 451 3HG2 VAL 53 HG23 VAL 53 15.417 -5.414 -3.455 452 H ASP 54 HN ASP 54 15.906 -7.753 -8.367 453 HA ASP 54 HA ASP 54 15.482 -5.455 -10.140 454 1HB ASP 54 HB2 ASP 54 16.521 -8.251 -10.736 455 2HB ASP 54 HB1 ASP 54 16.581 -6.880 -11.844 456 H LYS 55 HN LYS 55 14.117 -8.638 -9.564 457 HA LYS 55 HA LYS 55 12.263 -8.435 -11.842 458 1HB LYS 55 HB2 LYS 55 12.995 -10.642 -11.386 459 2HB LYS 55 HB1 LYS 55 12.721 -10.472 -9.656 460 1HG LYS 55 HG2 LYS 55 10.310 -10.102 -11.392 461 2HG LYS 55 HG1 LYS 55 10.968 -11.734 -11.340 462 1HD LYS 55 HD2 LYS 55 10.574 -11.978 -9.046 463 2HD LYS 55 HD1 LYS 55 10.552 -10.242 -8.755 464 1HE LYS 55 HE2 LYS 55 8.375 -10.002 -9.646 465 2HE LYS 55 HE1 LYS 55 8.444 -11.559 -10.468 466 1HZ LYS 55 HZ1 LYS 55 8.328 -11.115 -7.535 467 2HZ LYS 55 HZ2 LYS 55 8.517 -12.632 -8.275 468 3HZ LYS 55 HZ3 LYS 55 7.090 -11.741 -8.511 469 H VAL 56 HN VAL 56 12.087 -8.176 -8.260 470 HA VAL 56 HA VAL 56 9.261 -7.907 -8.131 471 HB VAL 56 HB VAL 56 11.188 -8.081 -6.248 472 1HG1 VAL 56 HG11 VAL 56 11.621 -6.057 -5.084 473 2HG1 VAL 56 HG12 VAL 56 10.399 -5.175 -6.000 474 3HG1 VAL 56 HG13 VAL 56 11.896 -5.669 -6.779 475 1HG2 VAL 56 HG21 VAL 56 8.551 -6.656 -5.796 476 2HG2 VAL 56 HG22 VAL 56 9.502 -7.502 -4.575 477 3HG2 VAL 56 HG23 VAL 56 8.760 -8.405 -5.895 478 H MET 57 HN MET 57 11.837 -5.561 -8.735 479 HA MET 57 HA MET 57 10.177 -3.223 -8.697 480 1HB MET 57 HB2 MET 57 12.812 -3.875 -10.029 481 2HB MET 57 HB1 MET 57 12.042 -2.300 -10.220 482 1HG MET 57 HG2 MET 57 12.105 -1.906 -7.833 483 2HG MET 57 HG1 MET 57 12.663 -3.546 -7.525 484 1HE MET 57 HE1 MET 57 13.800 -0.097 -7.426 485 2HE MET 57 HE2 MET 57 13.330 -0.158 -9.125 486 3HE MET 57 HE3 MET 57 15.017 0.119 -8.689 487 H GLU 58 HN GLU 58 10.898 -5.635 -11.159 488 HA GLU 58 HA GLU 58 9.726 -4.192 -13.365 489 1HB GLU 58 HB2 GLU 58 10.312 -7.117 -12.870 490 2HB GLU 58 HB1 GLU 58 9.548 -6.559 -14.359 491 1HG GLU 58 HG2 GLU 58 12.124 -5.339 -13.354 492 2HG GLU 58 HG1 GLU 58 12.121 -6.784 -14.363 493 H THR 59 HN THR 59 8.459 -6.348 -10.890 494 HA THR 59 HA THR 59 5.804 -6.464 -12.138 495 HB THR 59 HB THR 59 6.705 -7.326 -9.377 496 HG1 THR 59 HG1 THR 59 7.737 -8.525 -10.938 497 1HG2 THR 59 HG21 THR 59 4.604 -8.770 -9.627 498 2HG2 THR 59 HG22 THR 59 4.168 -7.713 -10.969 499 3HG2 THR 59 HG23 THR 59 4.339 -7.049 -9.345 500 H LEU 60 HN LEU 60 7.458 -4.552 -9.706 501 HA LEU 60 HA LEU 60 4.893 -3.265 -8.900 502 1HB LEU 60 HB2 LEU 60 7.668 -3.385 -7.774 503 2HB LEU 60 HB1 LEU 60 6.667 -1.998 -7.358 504 HG LEU 60 HG LEU 60 6.515 -3.917 -5.740 505 1HD1 LEU 60 HD11 LEU 60 4.573 -2.187 -6.423 506 2HD1 LEU 60 HD12 LEU 60 4.295 -3.480 -5.262 507 3HD1 LEU 60 HD13 LEU 60 3.769 -3.672 -6.930 508 1HD2 LEU 60 HD21 LEU 60 5.541 -5.980 -6.340 509 2HD2 LEU 60 HD22 LEU 60 6.610 -5.623 -7.695 510 3HD2 LEU 60 HD23 LEU 60 4.878 -5.334 -7.841 511 H ASP 61 HN ASP 61 8.097 -2.292 -10.290 512 HA ASP 61 HA ASP 61 7.472 0.457 -10.578 513 1HB ASP 61 HB2 ASP 61 9.689 -0.719 -10.975 514 2HB ASP 61 HB1 ASP 61 9.052 -1.190 -12.553 515 H GLU 62 HN GLU 62 5.531 0.971 -11.299 516 HA GLU 62 HA GLU 62 4.380 -0.353 -13.678 517 1HB GLU 62 HB2 GLU 62 3.347 1.624 -11.647 518 2HB GLU 62 HB1 GLU 62 2.481 1.372 -13.163 519 1HG GLU 62 HG2 GLU 62 3.264 -0.901 -11.321 520 2HG GLU 62 HG1 GLU 62 1.706 -0.081 -11.225 521 H ASP 63 HN ASP 63 5.481 2.854 -12.658 522 HA ASP 63 HA ASP 63 5.043 3.973 -15.314 523 1HB ASP 63 HB2 ASP 63 6.536 5.845 -14.359 524 2HB ASP 63 HB1 ASP 63 4.996 5.570 -13.544 525 H GLY 64 HN GLY 64 7.197 1.745 -14.079 526 1HA GLY 64 HA2 GLY 64 9.258 0.933 -14.893 527 2HA GLY 64 HA1 GLY 64 8.821 1.704 -16.419 528 H ASP 65 HN ASP 65 9.327 3.201 -13.244 529 HA ASP 65 HA ASP 65 11.198 5.127 -14.528 530 1HB ASP 65 HB2 ASP 65 11.026 6.324 -12.346 531 2HB ASP 65 HB1 ASP 65 9.448 6.049 -13.088 532 H GLY 66 HN GLY 66 11.377 2.179 -12.947 533 1HA GLY 66 HA2 GLY 66 13.354 1.011 -12.312 534 2HA GLY 66 HA1 GLY 66 14.278 2.498 -12.557 535 H GLU 67 HN GLU 67 11.613 3.277 -10.811 536 HA GLU 67 HA GLU 67 12.848 2.702 -8.151 537 1HB GLU 67 HB2 GLU 67 11.681 5.387 -8.951 538 2HB GLU 67 HB1 GLU 67 12.489 4.984 -7.436 539 1HG GLU 67 HG2 GLU 67 14.538 4.397 -8.864 540 2HG GLU 67 HG1 GLU 67 13.709 5.212 -10.191 541 H CYS 68 HN CYS 68 11.127 3.189 -6.404 542 HA CYS 68 HA CYS 68 8.403 2.485 -7.468 543 1HB CYS 68 HB2 CYS 68 9.205 1.676 -4.696 544 2HB CYS 68 HB1 CYS 68 8.145 0.861 -5.842 545 HG CYS 68 HG CYS 68 10.872 0.003 -5.471 546 H ASP 69 HN ASP 69 7.568 4.581 -7.441 547 HA ASP 69 HA ASP 69 7.883 6.526 -5.424 548 1HB ASP 69 HB2 ASP 69 5.338 5.970 -6.987 549 2HB ASP 69 HB1 ASP 69 5.789 7.496 -6.227 550 H PHE 70 HN PHE 70 5.586 7.122 -4.113 551 HA PHE 70 HA PHE 70 5.488 5.131 -2.045 552 1HB PHE 70 HB2 PHE 70 4.972 7.748 -2.063 553 2HB PHE 70 HB1 PHE 70 3.320 7.188 -2.280 554 HD1 PHE 70 HD1 PHE 70 3.768 4.532 -0.601 555 HD2 PHE 70 HD2 PHE 70 4.618 8.680 0.139 556 HE1 PHE 70 HE1 PHE 70 3.595 4.134 1.826 557 HE2 PHE 70 HE2 PHE 70 4.429 8.272 2.575 558 HZ PHE 70 HZ PHE 70 3.927 6.001 3.418 559 H GLN 71 HN GLN 71 2.844 6.258 -4.175 560 HA GLN 71 HA GLN 71 0.875 4.489 -3.501 561 1HB GLN 71 HB2 GLN 71 0.124 4.638 -5.958 562 2HB GLN 71 HB1 GLN 71 0.264 6.137 -5.054 563 1HG GLN 71 HG2 GLN 71 1.280 6.550 -7.167 564 2HG GLN 71 HG1 GLN 71 2.619 6.350 -6.037 565 1HE2 GLN 71 HE21 GLN 71 0.549 3.876 -7.647 566 2HE2 GLN 71 HE22 GLN 71 1.841 3.059 -8.384 567 H GLU 72 HN GLU 72 3.599 3.675 -5.714 568 HA GLU 72 HA GLU 72 2.429 0.964 -6.005 569 1HB GLU 72 HB2 GLU 72 3.983 0.587 -7.724 570 2HB GLU 72 HB1 GLU 72 3.523 2.274 -7.919 571 1HG GLU 72 HG2 GLU 72 5.640 2.660 -6.315 572 2HG GLU 72 HG1 GLU 72 6.130 1.103 -6.988 573 H PHE 73 HN PHE 73 5.187 2.589 -4.479 574 HA PHE 73 HA PHE 73 6.579 0.318 -3.587 575 1HB PHE 73 HB2 PHE 73 7.546 2.465 -3.165 576 2HB PHE 73 HB1 PHE 73 6.098 3.008 -2.339 577 HD1 PHE 73 HD1 PHE 73 7.068 3.700 -0.305 578 HD2 PHE 73 HD2 PHE 73 7.743 -0.296 -1.741 579 HE1 PHE 73 HE1 PHE 73 8.070 3.084 1.872 580 HE2 PHE 73 HE2 PHE 73 8.738 -0.906 0.439 581 HZ PHE 73 HZ PHE 73 8.911 0.790 2.239 582 H MET 74 HN MET 74 3.771 1.955 -2.149 583 HA MET 74 HA MET 74 3.531 0.223 0.106 584 1HB MET 74 HB2 MET 74 2.151 2.411 -0.850 585 2HB MET 74 HB1 MET 74 0.988 1.135 -1.166 586 1HG MET 74 HG2 MET 74 1.565 0.440 1.340 587 2HG MET 74 HG1 MET 74 2.041 2.133 1.462 588 1HE MET 74 HE1 MET 74 0.309 1.235 3.271 589 2HE MET 74 HE2 MET 74 -1.395 1.646 3.180 590 3HE MET 74 HE3 MET 74 -0.191 2.930 3.218 591 H ALA 75 HN ALA 75 2.238 0.120 -3.173 592 HA ALA 75 HA ALA 75 0.720 -2.240 -3.024 593 1HB ALA 75 HB1 ALA 75 2.551 -1.760 -5.364 594 2HB ALA 75 HB2 ALA 75 1.124 -0.768 -5.086 595 3HB ALA 75 HB3 ALA 75 0.961 -2.501 -5.357 596 H PHE 76 HN PHE 76 4.149 -1.927 -2.716 597 HA PHE 76 HA PHE 76 4.702 -4.750 -3.281 598 1HB PHE 76 HB2 PHE 76 6.574 -3.216 -3.527 599 2HB PHE 76 HB1 PHE 76 6.378 -2.648 -1.875 600 HD1 PHE 76 HD1 PHE 76 7.946 -3.482 -0.358 601 HD2 PHE 76 HD2 PHE 76 6.631 -5.989 -3.593 602 HE1 PHE 76 HE1 PHE 76 9.397 -5.312 0.467 603 HE2 PHE 76 HE2 PHE 76 8.078 -7.815 -2.761 604 HZ PHE 76 HZ PHE 76 9.459 -7.479 -0.734 605 H VAL 77 HN VAL 77 4.474 -2.781 -0.327 606 HA VAL 77 HA VAL 77 4.826 -4.863 1.551 607 HB VAL 77 HB VAL 77 3.030 -2.437 1.712 608 1HG1 VAL 77 HG11 VAL 77 2.421 -3.966 3.447 609 2HG1 VAL 77 HG12 VAL 77 3.479 -2.774 4.197 610 3HG1 VAL 77 HG13 VAL 77 4.105 -4.370 3.775 611 1HG2 VAL 77 HG21 VAL 77 5.456 -2.019 1.207 612 2HG2 VAL 77 HG22 VAL 77 5.858 -2.851 2.708 613 3HG2 VAL 77 HG23 VAL 77 4.923 -1.354 2.752 614 H SER 78 HN SER 78 1.910 -3.784 -0.150 615 HA SER 78 HA SER 78 0.157 -5.565 1.223 616 1HB SER 78 HB2 SER 78 -1.079 -5.098 -1.216 617 2HB SER 78 HB1 SER 78 -1.241 -4.094 0.221 618 HG SER 78 HG SER 78 1.007 -3.731 -1.384 619 H MET 79 HN MET 79 2.358 -5.858 -1.390 620 HA MET 79 HA MET 79 1.259 -8.282 -2.527 621 1HB MET 79 HB2 MET 79 2.860 -6.621 -3.663 622 2HB MET 79 HB1 MET 79 4.137 -7.366 -2.703 623 1HG MET 79 HG2 MET 79 3.266 -9.613 -3.661 624 2HG MET 79 HG1 MET 79 2.443 -8.613 -4.861 625 1HE MET 79 HE1 MET 79 5.129 -9.621 -7.188 626 2HE MET 79 HE2 MET 79 3.710 -8.576 -7.217 627 3HE MET 79 HE3 MET 79 3.639 -10.127 -6.381 628 H VAL 80 HN VAL 80 3.507 -7.529 0.056 629 HA VAL 80 HA VAL 80 4.219 -10.373 0.368 630 HB VAL 80 HB VAL 80 5.922 -9.699 1.784 631 1HG1 VAL 80 HG11 VAL 80 6.938 -7.679 1.065 632 2HG1 VAL 80 HG12 VAL 80 5.383 -6.942 0.694 633 3HG1 VAL 80 HG13 VAL 80 5.997 -8.247 -0.316 634 1HG2 VAL 80 HG21 VAL 80 4.069 -7.523 2.774 635 2HG2 VAL 80 HG22 VAL 80 5.747 -7.660 3.281 636 3HG2 VAL 80 HG23 VAL 80 4.610 -8.954 3.647 637 H THR 81 HN THR 81 2.176 -7.827 1.672 638 HA THR 81 HA THR 81 1.291 -9.286 3.996 639 HB THR 81 HB THR 81 -0.368 -7.346 2.374 640 HG1 THR 81 HG1 THR 81 1.983 -6.848 3.258 641 1HG2 THR 81 HG21 THR 81 -0.370 -8.280 5.229 642 2HG2 THR 81 HG22 THR 81 -1.708 -8.180 4.084 643 3HG2 THR 81 HG23 THR 81 -1.046 -6.710 4.796 644 H THR 82 HN THR 82 0.210 -9.083 0.581 645 HA THR 82 HA THR 82 -2.142 -10.628 0.869 646 HB THR 82 HB THR 82 -1.662 -11.197 -1.585 647 HG1 THR 82 HG1 THR 82 0.673 -10.939 -1.159 648 1HG2 THR 82 HG21 THR 82 -2.972 -9.316 -1.627 649 2HG2 THR 82 HG22 THR 82 -1.466 -8.475 -1.987 650 3HG2 THR 82 HG23 THR 82 -2.061 -8.540 -0.330 651 H ALA 83 HN ALA 83 1.258 -11.709 0.317 652 HA ALA 83 HA ALA 83 0.650 -14.465 -0.009 653 1HB ALA 83 HB1 ALA 83 3.072 -13.278 1.386 654 2HB ALA 83 HB2 ALA 83 2.912 -13.415 -0.366 655 3HB ALA 83 HB3 ALA 83 2.965 -14.867 0.634 656 H CYS 84 HN CYS 84 1.158 -12.462 2.875 657 HA CYS 84 HA CYS 84 0.991 -14.602 4.785 658 1HB CYS 84 HB2 CYS 84 1.735 -12.188 5.208 659 2HB CYS 84 HB1 CYS 84 0.022 -11.771 5.250 660 HG CYS 84 HG CYS 84 -0.065 -12.645 7.558 661 H HIS 85 HN HIS 85 -1.341 -13.150 2.749 662 HA HIS 85 HA HIS 85 -3.629 -14.084 4.422 663 1HB HIS 85 HB2 HIS 85 -3.928 -11.854 3.576 664 2HB HIS 85 HB1 HIS 85 -3.427 -12.330 1.958 665 HD1 HIS 85 HD1 HIS 85 -5.590 -11.842 0.718 666 HD2 HIS 85 HD2 HIS 85 -6.169 -14.313 4.024 667 HE1 HIS 85 HE1 HIS 85 -7.977 -12.672 0.580 668 H GLU 86 HN GLU 86 -2.001 -14.623 1.330 669 HA GLU 86 HA GLU 86 -3.970 -16.549 0.388 670 1HB GLU 86 HB2 GLU 86 -2.626 -15.332 -1.234 671 2HB GLU 86 HB1 GLU 86 -1.137 -15.942 -0.509 672 1HG GLU 86 HG2 GLU 86 -1.562 -18.162 -1.232 673 2HG GLU 86 HG1 GLU 86 -3.251 -17.806 -1.599 674 H PHE 87 HN PHE 87 -0.879 -16.699 2.081 675 HA PHE 87 HA PHE 87 -0.536 -19.544 1.922 676 1HB PHE 87 HB2 PHE 87 1.257 -17.929 2.587 677 2HB PHE 87 HB1 PHE 87 0.408 -17.669 4.111 678 HD1 PHE 87 HD1 PHE 87 2.249 -20.140 2.060 679 HD2 PHE 87 HD2 PHE 87 0.420 -19.332 5.861 680 HE1 PHE 87 HE1 PHE 87 3.337 -22.155 3.013 681 HE2 PHE 87 HE2 PHE 87 1.507 -21.348 6.814 682 HZ PHE 87 HZ PHE 87 2.967 -22.759 5.388 683 H PHE 88 HN PHE 88 -1.836 -17.493 4.559 684 HA PHE 88 HA PHE 88 -2.633 -19.655 6.238 685 1HB PHE 88 HB2 PHE 88 -2.497 -17.180 6.844 686 2HB PHE 88 HB1 PHE 88 -4.054 -16.991 6.040 687 HD1 PHE 88 HD1 PHE 88 -2.298 -18.378 8.949 688 HD2 PHE 88 HD2 PHE 88 -6.078 -18.077 6.929 689 HE1 PHE 88 HE1 PHE 88 -3.452 -19.187 10.989 690 HE2 PHE 88 HE2 PHE 88 -7.233 -18.885 8.971 691 HZ PHE 88 HZ PHE 88 -5.919 -19.439 11.001 692 H GLU 89 HN GLU 89 -4.544 -17.750 3.887 693 HA GLU 89 HA GLU 89 -6.820 -19.586 4.152 694 1HB GLU 89 HB2 GLU 89 -6.886 -17.028 3.667 695 2HB GLU 89 HB1 GLU 89 -6.505 -17.481 2.006 696 1HG GLU 89 HG2 GLU 89 -8.509 -18.826 1.842 697 2HG GLU 89 HG1 GLU 89 -8.844 -18.626 3.562 698 H HIS 90 HN HIS 90 -4.154 -20.549 3.118 699 HA HIS 90 HA HIS 90 -4.429 -21.037 0.289 700 1HB HIS 90 HB2 HIS 90 -2.254 -21.225 1.423 701 2HB HIS 90 HB1 HIS 90 -2.865 -22.563 2.397 702 HD1 HIS 90 HD1 HIS 90 -2.483 -24.838 1.449 703 HD2 HIS 90 HD2 HIS 90 -2.408 -21.907 -1.518 704 HE1 HIS 90 HE1 HIS 90 -1.889 -26.020 -0.712 705 HE2 HIS 90 HE2 HIS 90 -1.841 -24.245 -2.525 706 H GLU 91 HN GLU 91 -6.378 -21.974 -0.273 707 HA GLU 91 HA GLU 91 -7.628 -24.081 1.255 708 1HB GLU 91 HB2 GLU 91 -8.936 -22.621 -0.233 709 2HB GLU 91 HB1 GLU 91 -8.041 -23.217 -1.629 710 1HG GLU 91 HG2 GLU 91 -10.241 -24.336 -1.412 711 2HG GLU 91 HG1 GLU 91 -8.918 -25.486 -1.247 712 1H MET 0 HT1 MET 0 8.753 -1.654 16.238 713 2H MET 0 HT2 MET 0 10.056 -0.878 17.003 714 3H MET 0 HT3 MET 0 9.306 -2.213 17.741 715 HA MET 0 HA MET 0 11.551 -2.330 16.249 716 1HB MET 0 HB2 MET 0 9.438 -4.457 16.716 717 2HB MET 0 HB1 MET 0 11.100 -4.782 16.226 718 1HG MET 0 HG2 MET 0 11.827 -3.487 18.300 719 2HG MET 0 HG1 MET 0 10.142 -3.548 18.816 720 1HE MET 0 HE1 MET 0 9.322 -5.693 20.400 721 2HE MET 0 HE2 MET 0 9.241 -7.085 19.322 722 3HE MET 0 HE3 MET 0 8.773 -5.492 18.731 723 H SER 1 HN SER 1 8.949 -4.300 14.983 724 HA SER 1 HA SER 1 9.734 -3.494 12.232 725 1HB SER 1 HB2 SER 1 7.913 -5.406 11.761 726 2HB SER 1 HB1 SER 1 9.573 -5.798 12.200 727 HG SER 1 HG SER 1 7.896 -6.867 13.457 728 H GLU 2 HN GLU 2 8.790 -1.394 12.330 729 HA GLU 2 HA GLU 2 6.121 -0.731 12.949 730 1HB GLU 2 HB2 GLU 2 8.009 0.380 10.861 731 2HB GLU 2 HB1 GLU 2 6.422 1.085 11.157 732 1HG GLU 2 HG2 GLU 2 7.003 1.462 13.510 733 2HG GLU 2 HG1 GLU 2 8.575 0.701 13.257 734 H LEU 3 HN LEU 3 7.455 -2.262 10.073 735 HA LEU 3 HA LEU 3 5.055 -2.053 8.494 736 1HB LEU 3 HB2 LEU 3 7.700 -3.320 8.261 737 2HB LEU 3 HB1 LEU 3 6.437 -4.243 7.466 738 HG LEU 3 HG LEU 3 7.525 -2.624 5.942 739 1HD1 LEU 3 HD11 LEU 3 4.751 -1.543 6.313 740 2HD1 LEU 3 HD12 LEU 3 4.953 -3.257 5.947 741 3HD1 LEU 3 HD13 LEU 3 5.590 -2.037 4.853 742 1HD2 LEU 3 HD21 LEU 3 7.871 -0.916 7.853 743 2HD2 LEU 3 HD22 LEU 3 6.224 -0.391 7.498 744 3HD2 LEU 3 HD23 LEU 3 7.462 -0.300 6.254 745 H GLU 4 HN GLU 4 5.965 -4.181 11.062 746 HA GLU 4 HA GLU 4 4.314 -6.422 10.275 747 1HB GLU 4 HB2 GLU 4 6.041 -6.843 11.881 748 2HB GLU 4 HB1 GLU 4 5.482 -5.544 12.931 749 1HG GLU 4 HG2 GLU 4 3.608 -7.814 12.276 750 2HG GLU 4 HG1 GLU 4 4.861 -8.053 13.493 751 H LYS 5 HN LYS 5 3.802 -3.497 12.164 752 HA LYS 5 HA LYS 5 1.151 -4.229 13.078 753 1HB LYS 5 HB2 LYS 5 2.748 -1.670 12.962 754 2HB LYS 5 HB1 LYS 5 1.047 -1.632 13.427 755 1HG LYS 5 HG2 LYS 5 1.434 -2.648 15.455 756 2HG LYS 5 HG1 LYS 5 2.667 -3.722 14.804 757 1HD LYS 5 HD2 LYS 5 3.259 -0.779 15.074 758 2HD LYS 5 HD1 LYS 5 3.359 -1.823 16.491 759 1HE LYS 5 HE2 LYS 5 5.023 -3.216 15.458 760 2HE LYS 5 HE1 LYS 5 4.783 -2.446 13.889 761 1HZ LYS 5 HZ1 LYS 5 5.664 -0.412 14.732 762 2HZ LYS 5 HZ2 LYS 5 6.765 -1.650 15.105 763 3HZ LYS 5 HZ3 LYS 5 5.744 -1.025 16.311 764 H ALA 6 HN ALA 6 2.354 -2.123 10.463 765 HA ALA 6 HA ALA 6 -0.160 -1.303 9.465 766 1HB ALA 6 HB1 ALA 6 1.810 -0.238 8.614 767 2HB ALA 6 HB2 ALA 6 1.061 -1.062 7.252 768 3HB ALA 6 HB3 ALA 6 2.468 -1.769 8.047 769 H MET 7 HN MET 7 1.843 -3.995 8.232 770 HA MET 7 HA MET 7 -0.015 -4.969 6.364 771 1HB MET 7 HB2 MET 7 1.992 -6.468 8.077 772 2HB MET 7 HB1 MET 7 1.066 -7.239 6.792 773 1HG MET 7 HG2 MET 7 1.993 -5.267 5.315 774 2HG MET 7 HG1 MET 7 3.214 -5.147 6.577 775 1HE MET 7 HE1 MET 7 5.693 -7.683 5.760 776 2HE MET 7 HE2 MET 7 4.875 -7.195 7.242 777 3HE MET 7 HE3 MET 7 5.311 -5.980 6.044 778 H VAL 8 HN VAL 8 0.169 -5.535 9.853 779 HA VAL 8 HA VAL 8 -1.947 -7.512 9.901 780 HB VAL 8 HB VAL 8 -0.703 -5.724 12.004 781 1HG1 VAL 8 HG11 VAL 8 -3.027 -7.639 12.246 782 2HG1 VAL 8 HG12 VAL 8 -2.902 -5.984 12.847 783 3HG1 VAL 8 HG13 VAL 8 -1.987 -7.278 13.623 784 1HG2 VAL 8 HG21 VAL 8 -0.711 -8.739 11.688 785 2HG2 VAL 8 HG22 VAL 8 0.288 -7.786 12.784 786 3HG2 VAL 8 HG23 VAL 8 0.555 -7.693 11.044 787 H ALA 9 HN ALA 9 -1.849 -4.033 10.599 788 HA ALA 9 HA ALA 9 -4.572 -3.656 11.229 789 1HB ALA 9 HB1 ALA 9 -2.582 -1.831 9.868 790 2HB ALA 9 HB2 ALA 9 -3.033 -1.849 11.572 791 3HB ALA 9 HB3 ALA 9 -4.188 -1.300 10.358 792 H LEU 10 HN LEU 10 -3.008 -3.896 8.042 793 HA LEU 10 HA LEU 10 -5.466 -3.155 6.650 794 1HB LEU 10 HB2 LEU 10 -2.730 -4.071 5.812 795 2HB LEU 10 HB1 LEU 10 -4.043 -4.179 4.642 796 HG LEU 10 HG LEU 10 -4.521 -1.692 5.246 797 1HD1 LEU 10 HD11 LEU 10 -2.616 -0.446 6.105 798 2HD1 LEU 10 HD12 LEU 10 -1.656 -1.921 6.213 799 3HD1 LEU 10 HD13 LEU 10 -3.053 -1.697 7.267 800 1HD2 LEU 10 HD21 LEU 10 -3.672 -2.182 3.088 801 2HD2 LEU 10 HD22 LEU 10 -2.107 -2.678 3.726 802 3HD2 LEU 10 HD23 LEU 10 -2.564 -0.974 3.738 803 H ILE 11 HN ILE 11 -3.756 -6.289 7.129 804 HA ILE 11 HA ILE 11 -5.293 -7.954 5.577 805 HB ILE 11 HB ILE 11 -4.193 -8.349 8.369 806 1HG1 ILE 11 HG12 ILE 11 -2.804 -8.179 6.133 807 2HG1 ILE 11 HG11 ILE 11 -2.403 -9.419 7.313 808 1HG2 ILE 11 HG21 ILE 11 -5.991 -9.888 8.406 809 2HG2 ILE 11 HG22 ILE 11 -4.604 -10.851 7.897 810 3HG2 ILE 11 HG23 ILE 11 -5.784 -10.306 6.704 811 1HD1 ILE 11 HD11 ILE 11 -4.308 -9.955 5.019 812 2HD1 ILE 11 HD12 ILE 11 -3.490 -11.126 6.047 813 3HD1 ILE 11 HD13 ILE 11 -2.568 -10.192 4.873 814 H ASP 12 HN ASP 12 -6.195 -6.867 8.884 815 HA ASP 12 HA ASP 12 -8.736 -8.201 8.888 816 1HB ASP 12 HB2 ASP 12 -7.632 -7.335 10.940 817 2HB ASP 12 HB1 ASP 12 -7.923 -5.687 10.382 818 H VAL 13 HN VAL 13 -7.849 -4.827 8.130 819 HA VAL 13 HA VAL 13 -10.540 -4.082 7.384 820 HB VAL 13 HB VAL 13 -7.925 -2.754 6.590 821 1HG1 VAL 13 HG11 VAL 13 -9.549 -0.705 6.726 822 2HG1 VAL 13 HG12 VAL 13 -10.820 -1.916 6.553 823 3HG1 VAL 13 HG13 VAL 13 -9.596 -1.738 5.297 824 1HG2 VAL 13 HG21 VAL 13 -8.044 -1.490 8.605 825 2HG2 VAL 13 HG22 VAL 13 -8.322 -3.156 9.105 826 3HG2 VAL 13 HG23 VAL 13 -9.681 -2.041 8.951 827 H PHE 14 HN PHE 14 -7.875 -5.562 5.739 828 HA PHE 14 HA PHE 14 -8.832 -5.025 3.033 829 1HB PHE 14 HB2 PHE 14 -6.497 -5.586 3.280 830 2HB PHE 14 HB1 PHE 14 -6.892 -7.093 4.106 831 HD1 PHE 14 HD1 PHE 14 -6.667 -9.028 2.792 832 HD2 PHE 14 HD2 PHE 14 -7.896 -5.356 0.923 833 HE1 PHE 14 HE1 PHE 14 -6.818 -10.186 0.608 834 HE2 PHE 14 HE2 PHE 14 -8.035 -6.517 -1.262 835 HZ PHE 14 HZ PHE 14 -7.497 -8.932 -1.419 836 H HIS 15 HN HIS 15 -8.957 -7.919 5.129 837 HA HIS 15 HA HIS 15 -10.651 -9.344 3.260 838 1HB HIS 15 HB2 HIS 15 -9.048 -10.057 5.403 839 2HB HIS 15 HB1 HIS 15 -10.656 -10.282 6.080 840 HD1 HIS 15 HD1 HIS 15 -8.713 -12.660 5.412 841 HD2 HIS 15 HD2 HIS 15 -11.779 -11.338 2.910 842 HE1 HIS 15 HE1 HIS 15 -9.290 -14.602 3.894 843 H GLN 16 HN GLN 16 -11.241 -7.301 6.074 844 HA GLN 16 HA GLN 16 -13.960 -8.088 6.532 845 1HB GLN 16 HB2 GLN 16 -12.380 -5.584 7.131 846 2HB GLN 16 HB1 GLN 16 -14.094 -5.695 7.532 847 1HG GLN 16 HG2 GLN 16 -12.167 -7.858 8.390 848 2HG GLN 16 HG1 GLN 16 -12.358 -6.389 9.346 849 1HE2 GLN 16 HE21 GLN 16 -14.196 -9.169 8.027 850 2HE2 GLN 16 HE22 GLN 16 -15.441 -9.094 9.177 851 H TYR 17 HN TYR 17 -12.576 -5.474 4.535 852 HA TYR 17 HA TYR 17 -15.259 -4.774 3.516 853 1HB TYR 17 HB2 TYR 17 -12.471 -3.698 3.079 854 2HB TYR 17 HB1 TYR 17 -13.799 -3.215 2.023 855 HD1 TYR 17 HD1 TYR 17 -15.504 -1.709 2.767 856 HD2 TYR 17 HD2 TYR 17 -12.621 -3.256 5.551 857 HE1 TYR 17 HE1 TYR 17 -16.289 -0.093 4.476 858 HE2 TYR 17 HE2 TYR 17 -13.405 -1.639 7.261 859 HH TYR 17 HH TYR 17 -14.691 0.153 7.641 860 H SER 18 HN SER 18 -12.198 -5.921 2.034 861 HA SER 18 HA SER 18 -13.261 -6.462 -0.521 862 1HB SER 18 HB2 SER 18 -11.382 -7.879 -0.862 863 2HB SER 18 HB1 SER 18 -10.825 -6.677 0.298 864 HG SER 18 HG SER 18 -11.886 -9.231 0.956 865 H GLY 19 HN GLY 19 -13.645 -8.141 2.509 866 1HA GLY 19 HA2 GLY 19 -14.992 -10.444 1.193 867 2HA GLY 19 HA1 GLY 19 -14.534 -10.353 2.890 868 H ARG 20 HN ARG 20 -15.956 -7.416 2.080 869 HA ARG 20 HA ARG 20 -18.276 -7.911 3.687 870 1HB ARG 20 HB2 ARG 20 -17.369 -5.648 3.344 871 2HB ARG 20 HB1 ARG 20 -17.771 -5.729 1.634 872 1HG ARG 20 HG2 ARG 20 -20.203 -6.052 2.343 873 2HG ARG 20 HG1 ARG 20 -19.686 -5.674 3.984 874 1HD ARG 20 HD2 ARG 20 -18.667 -3.537 2.999 875 2HD ARG 20 HD1 ARG 20 -19.590 -3.901 1.540 876 HE ARG 20 HE ARG 20 -21.578 -3.327 2.701 877 1HH1 ARG 20 HH21 ARG 20 -18.856 -3.652 4.793 878 2HH1 ARG 20 HH22 ARG 20 -19.677 -3.012 6.177 879 1HH2 ARG 20 HH11 ARG 20 -22.664 -2.490 4.496 880 2HH2 ARG 20 HH12 ARG 20 -21.829 -2.349 6.008 881 H GLU 21 HN GLU 21 -17.806 -7.765 0.164 882 HA GLU 21 HA GLU 21 -20.084 -9.591 -0.201 883 1HB GLU 21 HB2 GLU 21 -21.267 -7.917 -1.742 884 2HB GLU 21 HB1 GLU 21 -21.403 -7.629 -0.007 885 1HG GLU 21 HG2 GLU 21 -19.896 -5.831 -0.046 886 2HG GLU 21 HG1 GLU 21 -19.154 -6.349 -1.557 887 H GLY 22 HN GLY 22 -20.552 -9.917 -2.591 888 1HA GLY 22 HA2 GLY 22 -19.795 -10.578 -4.696 889 2HA GLY 22 HA1 GLY 22 -18.809 -9.124 -4.670 890 H ASP 23 HN ASP 23 -17.486 -10.860 -5.940 891 HA ASP 23 HA ASP 23 -16.192 -13.050 -4.860 892 1HB ASP 23 HB2 ASP 23 -15.859 -12.035 -7.170 893 2HB ASP 23 HB1 ASP 23 -14.715 -10.919 -6.422 894 H LYS 24 HN LYS 24 -15.512 -13.103 -2.763 895 HA LYS 24 HA LYS 24 -14.526 -10.986 -1.214 896 1HB LYS 24 HB2 LYS 24 -13.671 -13.890 -1.049 897 2HB LYS 24 HB1 LYS 24 -13.553 -12.696 0.244 898 1HG LYS 24 HG2 LYS 24 -16.073 -12.398 0.038 899 2HG LYS 24 HG1 LYS 24 -16.069 -13.826 -0.999 900 1HD LYS 24 HD2 LYS 24 -15.097 -15.174 0.786 901 2HD LYS 24 HD1 LYS 24 -14.956 -13.751 1.820 902 1HE LYS 24 HE2 LYS 24 -17.383 -13.496 1.866 903 2HE LYS 24 HE1 LYS 24 -17.572 -14.839 0.740 904 1HZ LYS 24 HZ1 LYS 24 -17.060 -16.367 2.322 905 2HZ LYS 24 HZ2 LYS 24 -17.745 -15.179 3.325 906 3HZ LYS 24 HZ3 LYS 24 -16.055 -15.314 3.195 907 H HIS 25 HN HIS 25 -12.200 -10.818 -0.390 908 HA HIS 25 HA HIS 25 -9.933 -10.444 -0.779 909 1HB HIS 25 HB2 HIS 25 -9.994 -12.192 -3.223 910 2HB HIS 25 HB1 HIS 25 -8.738 -12.032 -1.998 911 HD2 HIS 25 HD2 HIS 25 -11.497 -14.471 -2.854 912 HE1 HIS 25 HE1 HIS 25 -10.811 -14.999 1.280 913 HE2 HIS 25 HE2 HIS 25 -11.938 -15.978 -0.772 914 H LYS 26 HN LYS 26 -12.321 -9.351 -2.731 915 HA LYS 26 HA LYS 26 -10.389 -7.749 -4.364 916 1HB LYS 26 HB2 LYS 26 -13.062 -8.940 -5.140 917 2HB LYS 26 HB1 LYS 26 -12.307 -7.627 -6.048 918 1HG LYS 26 HG2 LYS 26 -10.771 -10.136 -5.407 919 2HG LYS 26 HG1 LYS 26 -11.855 -10.087 -6.792 920 1HD LYS 26 HD2 LYS 26 -10.430 -8.780 -8.024 921 2HD LYS 26 HD1 LYS 26 -10.056 -7.734 -6.660 922 1HE LYS 26 HE2 LYS 26 -8.935 -10.528 -6.745 923 2HE LYS 26 HE1 LYS 26 -8.165 -9.237 -7.665 924 1HZ LYS 26 HZ1 LYS 26 -7.098 -8.949 -5.713 925 2HZ LYS 26 HZ2 LYS 26 -8.358 -9.608 -4.783 926 3HZ LYS 26 HZ3 LYS 26 -8.466 -8.012 -5.355 927 H LEU 27 HN LEU 27 -10.855 -5.585 -4.510 928 HA LEU 27 HA LEU 27 -12.774 -4.552 -2.494 929 1HB LEU 27 HB2 LEU 27 -10.279 -3.810 -2.846 930 2HB LEU 27 HB1 LEU 27 -10.939 -2.834 -4.148 931 HG LEU 27 HG LEU 27 -12.078 -2.718 -1.337 932 1HD1 LEU 27 HD11 LEU 27 -9.714 -1.275 -2.515 933 2HD1 LEU 27 HD12 LEU 27 -9.858 -2.086 -0.955 934 3HD1 LEU 27 HD13 LEU 27 -10.679 -0.552 -1.226 935 1HD2 LEU 27 HD21 LEU 27 -12.700 -0.404 -2.185 936 2HD2 LEU 27 HD22 LEU 27 -13.525 -1.731 -2.984 937 3HD2 LEU 27 HD23 LEU 27 -12.181 -0.924 -3.783 938 H LYS 28 HN LYS 28 -14.719 -3.804 -3.084 939 HA LYS 28 HA LYS 28 -15.227 -3.136 -5.976 940 1HB LYS 28 HB2 LYS 28 -17.451 -3.679 -4.029 941 2HB LYS 28 HB1 LYS 28 -17.390 -3.965 -5.769 942 1HG LYS 28 HG2 LYS 28 -15.463 -5.671 -5.097 943 2HG LYS 28 HG1 LYS 28 -16.266 -5.625 -3.528 944 1HD LYS 28 HD2 LYS 28 -17.438 -6.453 -6.189 945 2HD LYS 28 HD1 LYS 28 -17.237 -7.434 -4.742 946 1HE LYS 28 HE2 LYS 28 -19.487 -6.905 -4.520 947 2HE LYS 28 HE1 LYS 28 -18.801 -5.518 -3.687 948 1HZ LYS 28 HZ1 LYS 28 -18.948 -5.170 -6.529 949 2HZ LYS 28 HZ2 LYS 28 -19.482 -4.147 -5.281 950 3HZ LYS 28 HZ3 LYS 28 -20.467 -5.422 -5.821 951 H LYS 29 HN LYS 29 -16.685 -1.301 -6.386 952 HA LYS 29 HA LYS 29 -16.027 1.063 -5.046 953 1HB LYS 29 HB2 LYS 29 -17.131 1.254 -7.148 954 2HB LYS 29 HB1 LYS 29 -18.504 0.293 -6.603 955 1HG LYS 29 HG2 LYS 29 -19.314 2.043 -5.219 956 2HG LYS 29 HG1 LYS 29 -17.788 2.915 -5.301 957 1HD LYS 29 HD2 LYS 29 -19.619 3.892 -6.733 958 2HD LYS 29 HD1 LYS 29 -18.144 3.492 -7.610 959 1HE LYS 29 HE2 LYS 29 -20.367 1.465 -7.408 960 2HE LYS 29 HE1 LYS 29 -20.458 2.759 -8.603 961 1HZ LYS 29 HZ1 LYS 29 -18.473 0.595 -8.373 962 2HZ LYS 29 HZ2 LYS 29 -18.075 2.039 -9.172 963 3HZ LYS 29 HZ3 LYS 29 -19.367 1.085 -9.727 964 H SER 30 HN SER 30 -18.819 -1.095 -4.410 965 HA SER 30 HA SER 30 -19.984 0.438 -2.320 966 1HB SER 30 HB2 SER 30 -19.919 -2.527 -2.901 967 2HB SER 30 HB1 SER 30 -20.736 -1.903 -1.470 968 HG SER 30 HG SER 30 -21.518 -0.374 -3.417 969 H GLU 31 HN GLU 31 -17.076 -1.335 -2.480 970 HA GLU 31 HA GLU 31 -16.741 -1.337 0.498 971 1HB GLU 31 HB2 GLU 31 -15.230 -2.713 -1.736 972 2HB GLU 31 HB1 GLU 31 -14.632 -2.651 -0.080 973 1HG GLU 31 HG2 GLU 31 -16.484 -3.877 0.753 974 2HG GLU 31 HG1 GLU 31 -17.417 -3.621 -0.722 975 H LEU 32 HN LEU 32 -15.664 0.199 -2.422 976 HA LEU 32 HA LEU 32 -13.411 1.495 -1.066 977 1HB LEU 32 HB2 LEU 32 -13.878 0.949 -3.689 978 2HB LEU 32 HB1 LEU 32 -14.460 2.609 -3.637 979 HG LEU 32 HG LEU 32 -11.718 1.657 -2.752 980 1HD1 LEU 32 HD11 LEU 32 -10.908 2.893 -4.697 981 2HD1 LEU 32 HD12 LEU 32 -12.551 3.396 -5.094 982 3HD1 LEU 32 HD13 LEU 32 -12.094 1.697 -5.216 983 1HD2 LEU 32 HD21 LEU 32 -12.259 3.511 -1.376 984 2HD2 LEU 32 HD22 LEU 32 -13.099 4.346 -2.682 985 3HD2 LEU 32 HD23 LEU 32 -11.340 4.213 -2.704 986 H LYS 33 HN LYS 33 -16.436 2.731 -2.516 987 HA LYS 33 HA LYS 33 -16.177 5.298 -1.277 988 1HB LYS 33 HB2 LYS 33 -17.644 4.976 -3.178 989 2HB LYS 33 HB1 LYS 33 -18.612 3.802 -2.294 990 1HG LYS 33 HG2 LYS 33 -18.322 6.487 -1.007 991 2HG LYS 33 HG1 LYS 33 -19.274 6.447 -2.486 992 1HD LYS 33 HD2 LYS 33 -19.794 4.404 -0.336 993 2HD LYS 33 HD1 LYS 33 -20.454 6.025 -0.172 994 1HE LYS 33 HE2 LYS 33 -21.481 5.747 -2.462 995 2HE LYS 33 HE1 LYS 33 -20.944 4.066 -2.430 996 1HZ LYS 33 HZ1 LYS 33 -23.153 4.092 -1.646 997 2HZ LYS 33 HZ2 LYS 33 -22.857 5.398 -0.599 998 3HZ LYS 33 HZ3 LYS 33 -22.178 3.874 -0.276 999 H GLU 34 HN GLU 34 -17.671 2.273 -0.183 1000 HA GLU 34 HA GLU 34 -18.840 3.514 2.185 1001 1HB GLU 34 HB2 GLU 34 -19.618 1.326 1.181 1002 2HB GLU 34 HB1 GLU 34 -18.166 0.586 1.864 1003 1HG GLU 34 HG2 GLU 34 -18.845 1.283 4.113 1004 2HG GLU 34 HG1 GLU 34 -20.272 2.080 3.449 1005 H LEU 35 HN LEU 35 -15.760 2.050 1.417 1006 HA LEU 35 HA LEU 35 -14.869 1.900 4.185 1007 1HB LEU 35 HB2 LEU 35 -13.827 0.427 2.572 1008 2HB LEU 35 HB1 LEU 35 -13.423 1.785 1.520 1009 HG LEU 35 HG LEU 35 -11.861 2.661 3.217 1010 1HD1 LEU 35 HD11 LEU 35 -12.862 1.948 5.266 1011 2HD1 LEU 35 HD12 LEU 35 -11.325 1.096 5.156 1012 3HD1 LEU 35 HD13 LEU 35 -12.828 0.257 4.776 1013 1HD2 LEU 35 HD21 LEU 35 -11.344 -0.288 2.788 1014 2HD2 LEU 35 HD22 LEU 35 -10.155 1.007 2.940 1015 3HD2 LEU 35 HD23 LEU 35 -11.178 0.912 1.506 1016 H ILE 36 HN ILE 36 -14.727 4.161 1.535 1017 HA ILE 36 HA ILE 36 -12.892 6.070 2.539 1018 HB ILE 36 HB ILE 36 -15.293 6.304 0.741 1019 1HG1 ILE 36 HG12 ILE 36 -12.936 5.007 0.266 1020 2HG1 ILE 36 HG11 ILE 36 -13.861 5.801 -1.002 1021 1HG2 ILE 36 HG21 ILE 36 -14.965 8.495 1.595 1022 2HG2 ILE 36 HG22 ILE 36 -14.158 8.453 0.028 1023 3HG2 ILE 36 HG23 ILE 36 -13.210 8.347 1.505 1024 1HD1 ILE 36 HD11 ILE 36 -11.390 6.339 -0.951 1025 2HD1 ILE 36 HD12 ILE 36 -11.672 7.180 0.573 1026 3HD1 ILE 36 HD13 ILE 36 -12.451 7.746 -0.906 1027 H ASN 37 HN ASN 37 -16.399 5.834 2.883 1028 HA ASN 37 HA ASN 37 -16.557 8.158 4.635 1029 1HB ASN 37 HB2 ASN 37 -18.418 7.602 3.152 1030 2HB ASN 37 HB1 ASN 37 -18.619 6.046 3.958 1031 1HD2 ASN 37 HD21 ASN 37 -17.866 9.109 5.630 1032 2HD2 ASN 37 HD22 ASN 37 -19.331 9.196 6.482 1033 H ASN 38 HN ASN 38 -16.116 4.728 5.169 1034 HA ASN 38 HA ASN 38 -16.989 4.962 7.998 1035 1HB ASN 38 HB2 ASN 38 -17.596 2.983 6.602 1036 2HB ASN 38 HB1 ASN 38 -15.888 2.548 6.547 1037 1HD2 ASN 38 HD21 ASN 38 -14.830 2.033 8.666 1038 2HD2 ASN 38 HD22 ASN 38 -15.778 1.477 9.960 1039 H GLU 39 HN GLU 39 -13.918 4.158 6.287 1040 HA GLU 39 HA GLU 39 -12.516 4.405 8.943 1041 1HB GLU 39 HB2 GLU 39 -12.342 2.286 7.477 1042 2HB GLU 39 HB1 GLU 39 -11.319 3.261 6.419 1043 1HG GLU 39 HG2 GLU 39 -9.821 2.180 7.905 1044 2HG GLU 39 HG1 GLU 39 -9.966 3.825 8.529 1045 H LEU 40 HN LEU 40 -11.678 5.085 5.502 1046 HA LEU 40 HA LEU 40 -9.816 7.179 6.309 1047 1HB LEU 40 HB2 LEU 40 -11.011 6.394 3.651 1048 2HB LEU 40 HB1 LEU 40 -9.884 7.715 3.814 1049 HG LEU 40 HG LEU 40 -8.759 5.648 3.109 1050 1HD1 LEU 40 HD11 LEU 40 -7.855 6.043 5.944 1051 2HD1 LEU 40 HD12 LEU 40 -7.760 7.393 4.811 1052 3HD1 LEU 40 HD13 LEU 40 -6.911 5.889 4.466 1053 1HD2 LEU 40 HD21 LEU 40 -10.450 4.195 4.420 1054 2HD2 LEU 40 HD22 LEU 40 -9.394 4.464 5.807 1055 3HD2 LEU 40 HD23 LEU 40 -8.769 3.665 4.365 1056 H SER 41 HN SER 41 -12.624 7.421 7.276 1057 HA SER 41 HA SER 41 -13.644 9.780 5.815 1058 1HB SER 41 HB2 SER 41 -15.662 9.137 6.658 1059 2HB SER 41 HB1 SER 41 -14.840 7.681 7.206 1060 HG SER 41 HG SER 41 -14.947 10.101 8.682 1061 H HIS 42 HN HIS 42 -11.652 9.104 8.573 1062 HA HIS 42 HA HIS 42 -12.286 11.689 9.869 1063 1HB HIS 42 HB2 HIS 42 -10.293 9.518 10.590 1064 2HB HIS 42 HB1 HIS 42 -10.647 10.943 11.568 1065 HD1 HIS 42 HD1 HIS 42 -12.248 7.756 10.307 1066 HD2 HIS 42 HD2 HIS 42 -13.037 10.796 13.051 1067 HE1 HIS 42 HE1 HIS 42 -14.256 7.000 11.657 1068 HE2 HIS 42 HE2 HIS 42 -14.744 8.843 13.330 1069 H PHE 43 HN PHE 43 -9.938 10.315 7.697 1070 HA PHE 43 HA PHE 43 -8.214 12.763 7.972 1071 1HB PHE 43 HB2 PHE 43 -7.579 10.040 6.792 1072 2HB PHE 43 HB1 PHE 43 -6.467 11.408 6.854 1073 HD1 PHE 43 HD1 PHE 43 -5.395 12.068 8.917 1074 HD2 PHE 43 HD2 PHE 43 -8.306 8.909 8.871 1075 HE1 PHE 43 HE1 PHE 43 -4.726 11.418 11.214 1076 HE2 PHE 43 HE2 PHE 43 -7.637 8.260 11.169 1077 HZ PHE 43 HZ PHE 43 -5.848 9.514 12.341 1078 H LEU 44 HN LEU 44 -10.286 10.935 5.880 1079 HA LEU 44 HA LEU 44 -9.569 12.704 3.580 1080 1HB LEU 44 HB2 LEU 44 -9.750 9.957 3.675 1081 2HB LEU 44 HB1 LEU 44 -11.333 10.387 3.046 1082 HG LEU 44 HG LEU 44 -10.204 11.738 1.269 1083 1HD1 LEU 44 HD11 LEU 44 -7.783 10.835 2.788 1084 2HD1 LEU 44 HD12 LEU 44 -8.062 12.339 1.910 1085 3HD1 LEU 44 HD13 LEU 44 -7.659 10.874 1.027 1086 1HD2 LEU 44 HD21 LEU 44 -9.514 9.798 -0.049 1087 2HD2 LEU 44 HD22 LEU 44 -10.906 9.360 0.942 1088 3HD2 LEU 44 HD23 LEU 44 -9.285 8.845 1.419 1089 H GLU 45 HN GLU 45 -11.127 14.098 2.819 1090 HA GLU 45 HA GLU 45 -13.296 14.902 4.378 1091 1HB GLU 45 HB2 GLU 45 -12.334 16.050 2.303 1092 2HB GLU 45 HB1 GLU 45 -13.373 14.982 1.356 1093 1HG GLU 45 HG2 GLU 45 -15.344 15.814 2.620 1094 2HG GLU 45 HG1 GLU 45 -14.291 16.925 3.496 1095 H GLU 46 HN GLU 46 -15.357 14.167 4.699 1096 HA GLU 46 HA GLU 46 -16.075 11.501 4.121 1097 1HB GLU 46 HB2 GLU 46 -17.768 13.917 4.792 1098 2HB GLU 46 HB1 GLU 46 -18.438 12.291 4.649 1099 1HG GLU 46 HG2 GLU 46 -16.792 11.509 6.357 1100 2HG GLU 46 HG1 GLU 46 -16.256 13.177 6.556 1101 H ILE 47 HN ILE 47 -15.871 10.962 1.932 1102 HA ILE 47 HA ILE 47 -17.036 12.548 -0.194 1103 HB ILE 47 HB ILE 47 -16.042 9.700 -0.036 1104 1HG1 ILE 47 HG12 ILE 47 -14.971 12.218 -1.343 1105 2HG1 ILE 47 HG11 ILE 47 -14.349 11.481 0.126 1106 1HG2 ILE 47 HG21 ILE 47 -17.720 9.666 -1.754 1107 2HG2 ILE 47 HG22 ILE 47 -16.160 9.735 -2.555 1108 3HG2 ILE 47 HG23 ILE 47 -17.145 11.192 -2.420 1109 1HD1 ILE 47 HD11 ILE 47 -13.020 10.114 -1.076 1110 2HD1 ILE 47 HD12 ILE 47 -13.533 10.959 -2.527 1111 3HD1 ILE 47 HD13 ILE 47 -14.392 9.508 -2.013 1112 H LYS 48 HN LYS 48 -19.161 12.645 -0.703 1113 HA LYS 48 HA LYS 48 -20.994 10.484 0.294 1114 1HB LYS 48 HB2 LYS 48 -21.526 13.403 -0.347 1115 2HB LYS 48 HB1 LYS 48 -22.771 12.233 0.095 1116 1HG LYS 48 HG2 LYS 48 -21.562 11.804 2.234 1117 2HG LYS 48 HG1 LYS 48 -20.405 13.063 1.800 1118 1HD LYS 48 HD2 LYS 48 -22.434 14.621 1.557 1119 2HD LYS 48 HD1 LYS 48 -23.354 13.367 2.389 1120 1HE LYS 48 HE2 LYS 48 -21.795 13.471 4.293 1121 2HE LYS 48 HE1 LYS 48 -20.854 14.708 3.461 1122 1HZ LYS 48 HZ1 LYS 48 -23.209 15.004 4.997 1123 2HZ LYS 48 HZ2 LYS 48 -23.480 15.569 3.417 1124 3HZ LYS 48 HZ3 LYS 48 -22.204 16.204 4.344 1125 H GLU 49 HN GLU 49 -19.605 11.956 -2.443 1126 HA GLU 49 HA GLU 49 -21.683 10.793 -4.267 1127 1HB GLU 49 HB2 GLU 49 -19.498 12.767 -4.984 1128 2HB GLU 49 HB1 GLU 49 -20.901 12.319 -5.951 1129 1HG GLU 49 HG2 GLU 49 -21.489 14.405 -4.990 1130 2HG GLU 49 HG1 GLU 49 -22.322 13.209 -3.998 1131 H GLN 50 HN GLN 50 -21.063 9.089 -5.547 1132 HA GLN 50 HA GLN 50 -18.537 7.791 -5.045 1133 1HB GLN 50 HB2 GLN 50 -20.446 7.301 -7.347 1134 2HB GLN 50 HB1 GLN 50 -19.241 6.182 -6.715 1135 1HG GLN 50 HG2 GLN 50 -20.422 6.015 -4.599 1136 2HG GLN 50 HG1 GLN 50 -21.560 7.268 -5.093 1137 1HE2 GLN 50 HE21 GLN 50 -22.730 6.690 -7.300 1138 2HE2 GLN 50 HE22 GLN 50 -23.244 5.080 -7.457 1139 H GLU 51 HN GLU 51 -19.553 10.240 -7.257 1140 HA GLU 51 HA GLU 51 -18.060 9.972 -9.509 1141 1HB GLU 51 HB2 GLU 51 -18.355 12.458 -7.815 1142 2HB GLU 51 HB1 GLU 51 -17.711 12.468 -9.458 1143 1HG GLU 51 HG2 GLU 51 -19.773 11.684 -10.374 1144 2HG GLU 51 HG1 GLU 51 -20.404 11.268 -8.780 1145 H VAL 52 HN VAL 52 -16.699 10.968 -6.368 1146 HA VAL 52 HA VAL 52 -14.048 11.249 -7.501 1147 HB VAL 52 HB VAL 52 -14.510 10.601 -4.591 1148 1HG1 VAL 52 HG11 VAL 52 -12.703 12.571 -6.030 1149 2HG1 VAL 52 HG12 VAL 52 -12.215 10.989 -5.421 1150 3HG1 VAL 52 HG13 VAL 52 -12.704 12.254 -4.295 1151 1HG2 VAL 52 HG21 VAL 52 -15.189 13.218 -5.963 1152 2HG2 VAL 52 HG22 VAL 52 -15.000 13.032 -4.218 1153 3HG2 VAL 52 HG23 VAL 52 -16.289 12.174 -5.060 1154 H VAL 53 HN VAL 53 -15.881 8.723 -5.926 1155 HA VAL 53 HA VAL 53 -13.702 6.839 -5.827 1156 HB VAL 53 HB VAL 53 -16.711 6.505 -5.762 1157 1HG1 VAL 53 HG11 VAL 53 -16.179 4.405 -6.585 1158 2HG1 VAL 53 HG12 VAL 53 -15.902 4.119 -4.863 1159 3HG1 VAL 53 HG13 VAL 53 -14.539 4.443 -5.933 1160 1HG2 VAL 53 HG21 VAL 53 -14.720 7.156 -3.770 1161 2HG2 VAL 53 HG22 VAL 53 -15.352 5.557 -3.407 1162 3HG2 VAL 53 HG23 VAL 53 -16.451 6.925 -3.540 1163 H ASP 54 HN ASP 54 -15.832 8.024 -8.254 1164 HA ASP 54 HA ASP 54 -15.404 5.774 -10.084 1165 1HB ASP 54 HB2 ASP 54 -16.435 8.587 -10.609 1166 2HB ASP 54 HB1 ASP 54 -16.491 7.250 -11.758 1167 H LYS 55 HN LYS 55 -14.035 8.939 -9.418 1168 HA LYS 55 HA LYS 55 -12.168 8.788 -11.688 1169 1HB LYS 55 HB2 LYS 55 -12.897 10.984 -11.182 1170 2HB LYS 55 HB1 LYS 55 -12.637 10.769 -9.454 1171 1HG LYS 55 HG2 LYS 55 -10.214 10.440 -11.183 1172 2HG LYS 55 HG1 LYS 55 -10.870 12.072 -11.090 1173 1HD LYS 55 HD2 LYS 55 -10.486 12.255 -8.790 1174 2HD LYS 55 HD1 LYS 55 -10.477 10.511 -8.544 1175 1HE LYS 55 HE2 LYS 55 -8.295 10.277 -9.407 1176 2HE LYS 55 HE1 LYS 55 -8.348 11.845 -10.213 1177 1HZ LYS 55 HZ1 LYS 55 -7.448 11.245 -7.624 1178 2HZ LYS 55 HZ2 LYS 55 -8.798 12.267 -7.494 1179 3HZ LYS 55 HZ3 LYS 55 -7.453 12.744 -8.417 1180 H VAL 56 HN VAL 56 -12.013 8.440 -8.112 1181 HA VAL 56 HA VAL 56 -9.189 8.159 -7.973 1182 HB VAL 56 HB VAL 56 -11.127 8.284 -6.097 1183 1HG1 VAL 56 HG11 VAL 56 -11.567 6.230 -4.991 1184 2HG1 VAL 56 HG12 VAL 56 -10.341 5.372 -5.924 1185 3HG1 VAL 56 HG13 VAL 56 -11.836 5.889 -6.696 1186 1HG2 VAL 56 HG21 VAL 56 -9.408 7.440 -4.443 1187 2HG2 VAL 56 HG22 VAL 56 -8.829 8.681 -5.553 1188 3HG2 VAL 56 HG23 VAL 56 -8.408 6.989 -5.824 1189 H MET 57 HN MET 57 -11.765 5.834 -8.656 1190 HA MET 57 HA MET 57 -10.110 3.491 -8.671 1191 1HB MET 57 HB2 MET 57 -12.735 4.184 -10.001 1192 2HB MET 57 HB1 MET 57 -11.968 2.613 -10.228 1193 1HG MET 57 HG2 MET 57 -12.043 2.160 -7.851 1194 2HG MET 57 HG1 MET 57 -12.603 3.792 -7.507 1195 1HE MET 57 HE1 MET 57 -13.272 0.445 -9.212 1196 2HE MET 57 HE2 MET 57 -14.952 0.154 -8.760 1197 3HE MET 57 HE3 MET 57 -13.731 0.341 -7.504 1198 H GLU 58 HN GLU 58 -10.813 5.969 -11.073 1199 HA GLU 58 HA GLU 58 -9.630 4.582 -13.308 1200 1HB GLU 58 HB2 GLU 58 -10.214 7.495 -12.742 1201 2HB GLU 58 HB1 GLU 58 -9.444 6.973 -14.239 1202 1HG GLU 58 HG2 GLU 58 -12.024 5.726 -13.279 1203 2HG GLU 58 HG1 GLU 58 -12.019 7.199 -14.249 1204 H THR 59 HN THR 59 -8.373 6.672 -10.770 1205 HA THR 59 HA THR 59 -5.710 6.815 -11.999 1206 HB THR 59 HB THR 59 -6.626 7.606 -9.221 1207 HG1 THR 59 HG1 THR 59 -6.750 9.651 -10.111 1208 1HG2 THR 59 HG21 THR 59 -4.098 8.117 -10.801 1209 2HG2 THR 59 HG22 THR 59 -4.238 7.274 -9.259 1210 3HG2 THR 59 HG23 THR 59 -4.529 9.011 -9.344 1211 H LEU 60 HN LEU 60 -7.381 4.844 -9.628 1212 HA LEU 60 HA LEU 60 -4.825 3.533 -8.838 1213 1HB LEU 60 HB2 LEU 60 -7.609 3.631 -7.732 1214 2HB LEU 60 HB1 LEU 60 -6.615 2.229 -7.345 1215 HG LEU 60 HG LEU 60 -6.465 4.096 -5.673 1216 1HD1 LEU 60 HD11 LEU 60 -3.713 3.900 -6.854 1217 2HD1 LEU 60 HD12 LEU 60 -4.514 2.393 -6.412 1218 3HD1 LEU 60 HD13 LEU 60 -4.250 3.639 -5.198 1219 1HD2 LEU 60 HD21 LEU 60 -4.834 5.578 -7.735 1220 2HD2 LEU 60 HD22 LEU 60 -5.476 6.176 -6.206 1221 3HD2 LEU 60 HD23 LEU 60 -6.564 5.866 -7.558 1222 H ASP 61 HN ASP 61 -8.021 2.599 -10.273 1223 HA ASP 61 HA ASP 61 -7.398 -0.140 -10.631 1224 1HB ASP 61 HB2 ASP 61 -9.611 1.049 -11.010 1225 2HB ASP 61 HB1 ASP 61 -8.964 1.557 -12.572 1226 H GLU 62 HN GLU 62 -5.454 -0.639 -11.353 1227 HA GLU 62 HA GLU 62 -4.288 0.745 -13.691 1228 1HB GLU 62 HB2 GLU 62 -3.265 -1.291 -11.712 1229 2HB GLU 62 HB1 GLU 62 -2.393 -0.993 -13.217 1230 1HG GLU 62 HG2 GLU 62 -3.186 1.225 -11.313 1231 2HG GLU 62 HG1 GLU 62 -1.628 0.400 -11.230 1232 H ASP 63 HN ASP 63 -5.400 -2.486 -12.761 1233 HA ASP 63 HA ASP 63 -4.949 -3.537 -15.445 1234 1HB ASP 63 HB2 ASP 63 -6.450 -5.430 -14.545 1235 2HB ASP 63 HB1 ASP 63 -4.914 -5.179 -13.716 1236 H GLY 64 HN GLY 64 -7.107 -1.337 -14.160 1237 1HA GLY 64 HA2 GLY 64 -9.162 -0.502 -14.965 1238 2HA GLY 64 HA1 GLY 64 -8.718 -1.232 -16.509 1239 H ASP 65 HN ASP 65 -9.242 -2.813 -13.379 1240 HA ASP 65 HA ASP 65 -11.109 -4.700 -14.722 1241 1HB ASP 65 HB2 ASP 65 -10.952 -5.951 -12.570 1242 2HB ASP 65 HB1 ASP 65 -9.370 -5.664 -13.297 1243 H GLY 66 HN GLY 66 -11.291 -1.795 -13.067 1244 1HA GLY 66 HA2 GLY 66 -13.267 -0.638 -12.410 1245 2HA GLY 66 HA1 GLY 66 -14.194 -2.112 -12.702 1246 H GLU 67 HN GLU 67 -11.544 -2.946 -10.963 1247 HA GLU 67 HA GLU 67 -12.793 -2.448 -8.296 1248 1HB GLU 67 HB2 GLU 67 -11.627 -5.107 -9.186 1249 2HB GLU 67 HB1 GLU 67 -12.420 -4.757 -7.649 1250 1HG GLU 67 HG2 GLU 67 -14.480 -4.114 -9.040 1251 2HG GLU 67 HG1 GLU 67 -13.665 -4.886 -10.400 1252 H CYS 68 HN CYS 68 -11.082 -2.982 -6.552 1253 HA CYS 68 HA CYS 68 -8.352 -2.248 -7.581 1254 1HB CYS 68 HB2 CYS 68 -9.167 -1.511 -4.793 1255 2HB CYS 68 HB1 CYS 68 -8.101 -0.669 -5.912 1256 HG CYS 68 HG CYS 68 -11.058 -0.690 -6.759 1257 H ASP 69 HN ASP 69 -7.519 -4.347 -7.602 1258 HA ASP 69 HA ASP 69 -7.849 -6.342 -5.640 1259 1HB ASP 69 HB2 ASP 69 -5.294 -5.750 -7.172 1260 2HB ASP 69 HB1 ASP 69 -5.752 -7.296 -6.454 1261 H PHE 70 HN PHE 70 -5.558 -6.978 -4.332 1262 HA PHE 70 HA PHE 70 -5.470 -5.043 -2.211 1263 1HB PHE 70 HB2 PHE 70 -4.953 -7.659 -2.295 1264 2HB PHE 70 HB1 PHE 70 -3.302 -7.092 -2.486 1265 HD1 PHE 70 HD1 PHE 70 -3.761 -4.480 -0.743 1266 HD2 PHE 70 HD2 PHE 70 -4.612 -8.648 -0.117 1267 HE1 PHE 70 HE1 PHE 70 -3.606 -4.145 1.695 1268 HE2 PHE 70 HE2 PHE 70 -4.439 -8.303 2.330 1269 HZ PHE 70 HZ PHE 70 -3.946 -6.054 3.235 1270 H GLN 71 HN GLN 71 -2.815 -6.116 -4.354 1271 HA GLN 71 HA GLN 71 -0.849 -4.366 -3.624 1272 1HB GLN 71 HB2 GLN 71 -0.083 -4.451 -6.080 1273 2HB GLN 71 HB1 GLN 71 -0.228 -5.974 -5.217 1274 1HG GLN 71 HG2 GLN 71 -1.232 -6.331 -7.345 1275 2HG GLN 71 HG1 GLN 71 -2.577 -6.161 -6.217 1276 1HE2 GLN 71 HE21 GLN 71 -0.500 -3.641 -7.746 1277 2HE2 GLN 71 HE22 GLN 71 -1.789 -2.808 -8.471 1278 H GLU 72 HN GLU 72 -3.558 -3.489 -5.830 1279 HA GLU 72 HA GLU 72 -2.384 -0.774 -6.043 1280 1HB GLU 72 HB2 GLU 72 -3.925 -0.353 -7.762 1281 2HB GLU 72 HB1 GLU 72 -3.467 -2.037 -7.996 1282 1HG GLU 72 HG2 GLU 72 -5.594 -2.459 -6.416 1283 2HG GLU 72 HG1 GLU 72 -6.078 -0.885 -7.051 1284 H PHE 73 HN PHE 73 -5.152 -2.436 -4.576 1285 HA PHE 73 HA PHE 73 -6.546 -0.186 -3.632 1286 1HB PHE 73 HB2 PHE 73 -7.520 -2.342 -3.272 1287 2HB PHE 73 HB1 PHE 73 -6.077 -2.909 -2.453 1288 HD1 PHE 73 HD1 PHE 73 -7.061 -3.654 -0.443 1289 HD2 PHE 73 HD2 PHE 73 -7.717 0.381 -1.777 1290 HE1 PHE 73 HE1 PHE 73 -8.074 -3.093 1.744 1291 HE2 PHE 73 HE2 PHE 73 -8.724 0.936 0.414 1292 HZ PHE 73 HZ PHE 73 -8.912 -0.806 2.167 1293 H MET 74 HN MET 74 -3.747 -1.868 -2.222 1294 HA MET 74 HA MET 74 -3.518 -0.194 0.079 1295 1HB MET 74 HB2 MET 74 -2.127 -2.358 -0.929 1296 2HB MET 74 HB1 MET 74 -0.964 -1.070 -1.197 1297 1HG MET 74 HG2 MET 74 -1.564 -0.450 1.322 1298 2HG MET 74 HG1 MET 74 -2.040 -2.147 1.391 1299 1HE MET 74 HE1 MET 74 0.137 -2.995 3.137 1300 2HE MET 74 HE2 MET 74 -0.309 -1.293 3.243 1301 3HE MET 74 HE3 MET 74 1.386 -1.744 3.153 1302 H ALA 75 HN ALA 75 -2.210 -0.005 -3.190 1303 HA ALA 75 HA ALA 75 -0.689 2.346 -2.972 1304 1HB ALA 75 HB1 ALA 75 -0.915 2.664 -5.299 1305 2HB ALA 75 HB2 ALA 75 -2.510 1.936 -5.333 1306 3HB ALA 75 HB3 ALA 75 -1.088 0.928 -5.073 1307 H PHE 76 HN PHE 76 -4.121 2.032 -2.692 1308 HA PHE 76 HA PHE 76 -4.665 4.870 -3.184 1309 1HB PHE 76 HB2 PHE 76 -6.537 3.346 -3.481 1310 2HB PHE 76 HB1 PHE 76 -6.350 2.733 -1.845 1311 HD1 PHE 76 HD1 PHE 76 -7.917 3.529 -0.308 1312 HD2 PHE 76 HD2 PHE 76 -6.594 6.116 -3.477 1313 HE1 PHE 76 HE1 PHE 76 -9.372 5.338 0.557 1314 HE2 PHE 76 HE2 PHE 76 -8.048 7.921 -2.606 1315 HZ PHE 76 HZ PHE 76 -9.433 7.533 -0.592 1316 H VAL 77 HN VAL 77 -4.455 2.822 -0.281 1317 HA VAL 77 HA VAL 77 -4.814 4.856 1.649 1318 HB VAL 77 HB VAL 77 -3.020 2.425 1.758 1319 1HG1 VAL 77 HG11 VAL 77 -3.489 2.699 4.250 1320 2HG1 VAL 77 HG12 VAL 77 -4.110 4.306 3.862 1321 3HG1 VAL 77 HG13 VAL 77 -2.422 3.905 3.535 1322 1HG2 VAL 77 HG21 VAL 77 -5.438 2.012 1.224 1323 2HG2 VAL 77 HG22 VAL 77 -5.858 2.810 2.738 1324 3HG2 VAL 77 HG23 VAL 77 -4.923 1.313 2.758 1325 H SER 78 HN SER 78 -1.892 3.815 -0.063 1326 HA SER 78 HA SER 78 -0.145 5.557 1.367 1327 1HB SER 78 HB2 SER 78 1.107 5.152 -1.073 1328 2HB SER 78 HB1 SER 78 1.252 4.108 0.336 1329 HG SER 78 HG SER 78 0.573 2.969 -1.524 1330 H MET 79 HN MET 79 -2.329 5.922 -1.255 1331 HA MET 79 HA MET 79 -1.215 8.372 -2.315 1332 1HB MET 79 HB2 MET 79 -2.794 6.757 -3.524 1333 2HB MET 79 HB1 MET 79 -4.087 7.448 -2.548 1334 1HG MET 79 HG2 MET 79 -3.246 9.740 -3.406 1335 2HG MET 79 HG1 MET 79 -2.390 8.804 -4.633 1336 1HE MET 79 HE1 MET 79 -3.761 8.776 -7.078 1337 2HE MET 79 HE2 MET 79 -3.470 10.240 -6.140 1338 3HE MET 79 HE3 MET 79 -5.047 9.975 -6.881 1339 H VAL 80 HN VAL 80 -3.481 7.554 0.233 1340 HA VAL 80 HA VAL 80 -4.194 10.392 0.613 1341 HB VAL 80 HB VAL 80 -5.906 9.683 2.003 1342 1HG1 VAL 80 HG11 VAL 80 -5.979 8.292 -0.136 1343 2HG1 VAL 80 HG12 VAL 80 -6.919 7.680 1.229 1344 3HG1 VAL 80 HG13 VAL 80 -5.362 6.960 0.837 1345 1HG2 VAL 80 HG21 VAL 80 -4.068 7.471 2.942 1346 2HG2 VAL 80 HG22 VAL 80 -5.746 7.612 3.449 1347 3HG2 VAL 80 HG23 VAL 80 -4.598 8.885 3.850 1348 H THR 81 HN THR 81 -2.162 7.811 1.862 1349 HA THR 81 HA THR 81 -1.291 9.204 4.229 1350 HB THR 81 HB THR 81 0.375 7.305 2.565 1351 HG1 THR 81 HG1 THR 81 -0.626 5.659 3.813 1352 1HG2 THR 81 HG21 THR 81 1.710 8.086 4.301 1353 2HG2 THR 81 HG22 THR 81 1.035 6.606 4.977 1354 3HG2 THR 81 HG23 THR 81 0.368 8.170 5.443 1355 H THR 82 HN THR 82 -0.187 9.092 0.817 1356 HA THR 82 HA THR 82 2.164 10.627 1.155 1357 HB THR 82 HB THR 82 1.698 11.259 -1.286 1358 HG1 THR 82 HG1 THR 82 -0.057 10.013 -2.169 1359 1HG2 THR 82 HG21 THR 82 2.082 8.569 -0.103 1360 2HG2 THR 82 HG22 THR 82 2.998 9.376 -1.376 1361 3HG2 THR 82 HG23 THR 82 1.490 8.553 -1.763 1362 H ALA 83 HN ALA 83 -1.231 11.728 0.613 1363 HA ALA 83 HA ALA 83 -0.616 14.488 0.363 1364 1HB ALA 83 HB1 ALA 83 -2.933 14.882 0.982 1365 2HB ALA 83 HB2 ALA 83 -3.048 13.288 1.729 1366 3HB ALA 83 HB3 ALA 83 -2.880 13.433 -0.021 1367 H CYS 84 HN CYS 84 -1.145 12.410 3.192 1368 HA CYS 84 HA CYS 84 -0.986 14.497 5.159 1369 1HB CYS 84 HB2 CYS 84 -1.734 12.075 5.514 1370 2HB CYS 84 HB1 CYS 84 -0.021 11.655 5.552 1371 HG CYS 84 HG CYS 84 -0.928 13.877 7.510 1372 H HIS 85 HN HIS 85 1.357 13.098 3.100 1373 HA HIS 85 HA HIS 85 3.635 13.985 4.810 1374 1HB HIS 85 HB2 HIS 85 3.935 11.778 3.910 1375 2HB HIS 85 HB1 HIS 85 3.442 12.294 2.302 1376 HD1 HIS 85 HD1 HIS 85 5.610 11.831 1.063 1377 HD2 HIS 85 HD2 HIS 85 6.178 14.222 4.430 1378 HE1 HIS 85 HE1 HIS 85 7.999 12.661 0.957 1379 H GLU 86 HN GLU 86 2.027 14.606 1.724 1380 HA GLU 86 HA GLU 86 4.004 16.553 0.839 1381 1HB GLU 86 HB2 GLU 86 2.663 15.379 -0.819 1382 2HB GLU 86 HB1 GLU 86 1.175 15.975 -0.084 1383 1HG GLU 86 HG2 GLU 86 1.609 18.211 -0.748 1384 2HG GLU 86 HG1 GLU 86 3.298 17.862 -1.113 1385 H PHE 87 HN PHE 87 0.904 16.664 2.521 1386 HA PHE 87 HA PHE 87 0.569 19.512 2.435 1387 1HB PHE 87 HB2 PHE 87 -1.233 17.886 3.044 1388 2HB PHE 87 HB1 PHE 87 -0.396 17.581 4.567 1389 HD1 PHE 87 HD1 PHE 87 -2.218 20.109 2.572 1390 HD2 PHE 87 HD2 PHE 87 -0.411 19.201 6.361 1391 HE1 PHE 87 HE1 PHE 87 -3.311 22.099 3.572 1392 HE2 PHE 87 HE2 PHE 87 -1.502 21.189 7.360 1393 HZ PHE 87 HZ PHE 87 -2.952 22.640 5.965 1394 H PHE 88 HN PHE 88 1.848 17.391 5.026 1395 HA PHE 88 HA PHE 88 2.639 19.507 6.768 1396 1HB PHE 88 HB2 PHE 88 2.494 17.016 7.305 1397 2HB PHE 88 HB1 PHE 88 4.057 16.847 6.505 1398 HD1 PHE 88 HD1 PHE 88 2.286 18.159 9.439 1399 HD2 PHE 88 HD2 PHE 88 6.078 17.906 7.437 1400 HE1 PHE 88 HE1 PHE 88 3.428 18.912 11.507 1401 HE2 PHE 88 HE2 PHE 88 7.220 18.659 9.507 1402 HZ PHE 88 HZ PHE 88 5.894 19.162 11.542 1403 H GLU 89 HN GLU 89 4.559 17.661 4.378 1404 HA GLU 89 HA GLU 89 6.836 19.487 4.703 1405 1HB GLU 89 HB2 GLU 89 6.903 16.941 4.155 1406 2HB GLU 89 HB1 GLU 89 6.534 17.435 2.504 1407 1HG GLU 89 HG2 GLU 89 8.541 18.787 2.392 1408 2HG GLU 89 HG1 GLU 89 8.864 18.532 4.107 1409 H HIS 90 HN HIS 90 4.180 20.481 3.680 1410 HA HIS 90 HA HIS 90 4.472 21.040 0.866 1411 1HB HIS 90 HB2 HIS 90 2.292 21.201 1.989 1412 2HB HIS 90 HB1 HIS 90 2.897 22.510 3.004 1413 HD1 HIS 90 HD1 HIS 90 2.525 24.813 2.114 1414 HD2 HIS 90 HD2 HIS 90 2.457 21.962 -0.930 1415 HE1 HIS 90 HE1 HIS 90 1.935 26.052 -0.018 1416 HE2 HIS 90 HE2 HIS 90 1.892 24.327 -1.876 1417 H GLU 91 HN GLU 91 6.426 21.990 0.339 1418 HA GLU 91 HA GLU 91 7.669 24.055 1.928 1419 1HB GLU 91 HB2 GLU 91 8.984 22.633 0.413 1420 2HB GLU 91 HB1 GLU 91 8.100 23.263 -0.974 1421 1HG GLU 91 HG2 GLU 91 10.297 24.375 -0.714 1422 2HG GLU 91 HG1 GLU 91 8.975 25.522 -0.527
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