data_11030_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11030
_Entry.PDB_ID 2RNO
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 3 . 1 1 1 A 2 2 SER N N -4 115.528 120.131 -4.603 1
1 4 . 1 1 1 A 2 2 SER H H -4 8.751 8.516 0.235 1
1 5 . 1 1 1 A 2 2 SER CA C -4 57.819 57.388 0.431 1
1 6 . 1 1 1 A 2 2 SER HA H -4 4.461 4.780 -0.319 1
1 7 . 1 1 1 A 2 2 SER CB C -4 63.389 63.158 0.231 1
1 8 . 1 1 1 A 2 2 SER C C -4 173.924 174.192 -0.268 1
1 9 . 1 1 1 A 3 3 HIS N N -3 120.998 116.813 4.185 1
1 10 . 1 1 1 A 3 3 HIS H H -3 8.769 7.966 0.803 1
1 11 . 1 1 1 A 3 3 HIS CA C -3 55.238 56.876 -1.638 1
1 12 . 1 1 1 A 3 3 HIS HA H -3 4.703 4.210 0.493 1
1 13 . 1 1 1 A 3 3 HIS CB C -3 28.916 26.679 2.237 1
1 16 . 1 1 1 A 3 3 HIS C C -3 174.207 174.222 -0.015 1
1 17 . 1 1 1 A 4 4 MET N N -2 122.227 117.115 5.112 1
1 18 . 1 1 1 A 4 4 MET H H -2 8.518 7.632 0.886 1
1 19 . 1 1 1 A 4 4 MET CA C -2 55.003 54.819 0.184 1
1 20 . 1 1 1 A 4 4 MET HA H -2 4.420 4.780 -0.360 1
1 21 . 1 1 1 A 4 4 MET CB C -2 32.578 33.386 -0.808 1
1 31 . 1 1 1 A 4 4 MET C C -2 175.475 174.604 0.871 1
1 49 . 1 1 1 A 7 7 ALA N N 2 124.543 122.774 1.769 1
1 50 . 1 1 1 A 7 7 ALA H H 2 8.453 8.151 0.302 1
1 51 . 1 1 1 A 7 7 ALA CA C 2 53.203 54.446 -1.243 1
1 52 . 1 1 1 A 7 7 ALA HA H 2 4.211 4.091 0.120 1
1 56 . 1 1 1 A 7 7 ALA CB C 2 18.387 18.215 0.172 1
1 57 . 1 1 1 A 7 7 ALA C C 2 178.091 179.249 -1.158 1
1 58 . 1 1 1 A 8 8 ASP N N 3 118.618 118.730 -0.112 1
1 59 . 1 1 1 A 8 8 ASP H H 3 8.064 7.848 0.216 1
1 60 . 1 1 1 A 8 8 ASP CA C 3 54.381 56.649 -2.268 1
1 61 . 1 1 1 A 8 8 ASP HA H 3 4.551 4.337 0.214 1
1 62 . 1 1 1 A 8 8 ASP CB C 3 40.446 40.871 -0.425 1
1 65 . 1 1 1 A 8 8 ASP C C 3 176.662 178.260 -1.598 1
1 66 . 1 1 1 A 9 9 LEU N N 4 123.427 120.431 2.996 1
1 67 . 1 1 1 A 9 9 LEU H H 4 8.202 7.896 0.306 1
1 68 . 1 1 1 A 9 9 LEU CA C 4 57.491 57.909 -0.418 1
1 69 . 1 1 1 A 9 9 LEU HA H 4 4.084 4.000 0.084 1
1 70 . 1 1 1 A 9 9 LEU CB C 4 41.745 41.596 0.149 1
1 80 . 1 1 1 A 9 9 LEU C C 4 178.873 178.677 0.196 1
1 81 . 1 1 1 A 10 10 VAL N N 5 119.385 119.151 0.234 1
1 82 . 1 1 1 A 10 10 VAL H H 5 8.186 8.300 -0.114 1
1 83 . 1 1 1 A 10 10 VAL CA C 5 66.686 66.667 0.019 1
1 84 . 1 1 1 A 10 10 VAL HA H 5 3.435 3.512 -0.077 1
1 85 . 1 1 1 A 10 10 VAL CB C 5 31.135 31.555 -0.420 1
1 95 . 1 1 1 A 10 10 VAL C C 5 177.408 177.747 -0.339 1
1 96 . 1 1 1 A 11 11 SER N N 6 115.027 115.881 -0.854 1
1 97 . 1 1 1 A 11 11 SER H H 6 8.252 8.078 0.174 1
1 98 . 1 1 1 A 11 11 SER CA C 6 61.229 62.075 -0.846 1
1 99 . 1 1 1 A 11 11 SER HA H 6 4.068 4.140 -0.072 1
1 100 . 1 1 1 A 11 11 SER CB C 6 62.054 62.683 -0.629 1
1 103 . 1 1 1 A 11 11 SER C C 6 176.036 176.438 -0.402 1
1 104 . 1 1 1 A 12 12 SER N N 7 115.144 117.286 -2.142 1
1 105 . 1 1 1 A 12 12 SER H H 7 8.053 8.103 -0.050 1
1 106 . 1 1 1 A 12 12 SER CA C 7 60.212 61.711 -1.499 1
1 107 . 1 1 1 A 12 12 SER HA H 7 4.309 4.114 0.195 1
1 108 . 1 1 1 A 12 12 SER CB C 7 62.720 63.007 -0.287 1
1 111 . 1 1 1 A 12 12 SER C C 7 176.540 176.414 0.126 1
1 112 . 1 1 1 A 13 13 CYS N N 8 118.211 119.219 -1.008 1
1 113 . 1 1 1 A 13 13 CYS H H 8 7.919 8.562 -0.643 1
1 114 . 1 1 1 A 13 13 CYS CA C 8 63.729 64.016 -0.287 1
1 115 . 1 1 1 A 13 13 CYS HA H 8 4.046 4.176 -0.130 1
1 116 . 1 1 1 A 13 13 CYS CB C 8 26.703 26.911 -0.208 1
1 119 . 1 1 1 A 13 13 CYS C C 8 175.645 177.081 -1.436 1
1 120 . 1 1 1 A 14 14 LYS N N 9 120.074 121.321 -1.247 1
1 121 . 1 1 1 A 14 14 LYS H H 9 8.632 8.156 0.476 1
1 122 . 1 1 1 A 14 14 LYS CA C 9 60.438 59.507 0.931 1
1 123 . 1 1 1 A 14 14 LYS HA H 9 3.668 4.062 -0.394 1
1 124 . 1 1 1 A 14 14 LYS CB C 9 31.655 32.147 -0.492 1
1 136 . 1 1 1 A 14 14 LYS C C 9 177.590 178.052 -0.462 1
1 137 . 1 1 1 A 15 15 ASP N N 10 117.611 119.565 -1.954 1
1 138 . 1 1 1 A 15 15 ASP H H 10 7.732 8.221 -0.489 1
1 139 . 1 1 1 A 15 15 ASP CA C 10 56.325 57.421 -1.096 1
1 140 . 1 1 1 A 15 15 ASP HA H 10 4.320 4.290 0.030 1
1 141 . 1 1 1 A 15 15 ASP CB C 10 40.092 41.607 -1.515 1
1 144 . 1 1 1 A 15 15 ASP C C 10 177.731 178.791 -1.060 1
1 145 . 1 1 1 A 16 16 LYS N N 11 117.878 118.305 -0.427 1
1 146 . 1 1 1 A 16 16 LYS H H 11 7.254 7.900 -0.646 1
1 147 . 1 1 1 A 16 16 LYS CA C 11 58.984 59.366 -0.382 1
1 148 . 1 1 1 A 16 16 LYS HA H 11 3.662 4.080 -0.418 1
1 149 . 1 1 1 A 16 16 LYS CB C 11 32.933 32.634 0.299 1
1 158 . 1 1 1 A 16 16 LYS C C 11 177.350 178.776 -1.426 1
1 159 . 1 1 1 A 17 17 LEU N N 12 115.652 121.905 -6.253 1
1 160 . 1 1 1 A 17 17 LEU H H 12 8.138 8.487 -0.349 1
1 161 . 1 1 1 A 17 17 LEU CA C 12 56.722 58.203 -1.481 1
1 162 . 1 1 1 A 17 17 LEU HA H 12 3.588 4.252 -0.664 1
1 163 . 1 1 1 A 17 17 LEU CB C 12 41.870 41.548 0.322 1
1 174 . 1 1 1 A 17 17 LEU C C 12 177.545 178.746 -1.201 1
1 175 . 1 1 1 A 18 18 ALA N N 13 116.045 120.983 -4.938 1
1 176 . 1 1 1 A 18 18 ALA H H 13 7.080 8.642 -1.562 1
1 177 . 1 1 1 A 18 18 ALA CA C 13 53.475 54.989 -1.514 1
1 178 . 1 1 1 A 18 18 ALA HA H 13 3.984 4.130 -0.146 1
1 182 . 1 1 1 A 18 18 ALA CB C 13 18.121 18.431 -0.310 1
1 183 . 1 1 1 A 18 18 ALA C C 13 178.298 179.345 -1.047 1
1 184 . 1 1 1 A 19 19 TYR N N 14 115.556 119.631 -4.075 1
1 185 . 1 1 1 A 19 19 TYR H H 14 7.675 7.805 -0.130 1
1 186 . 1 1 1 A 19 19 TYR CA C 14 58.741 59.807 -1.066 1
1 187 . 1 1 1 A 19 19 TYR HA H 14 4.323 4.179 0.144 1
1 188 . 1 1 1 A 19 19 TYR CB C 14 38.610 38.972 -0.362 1
1 193 . 1 1 1 A 19 19 TYR C C 14 176.007 175.747 0.260 1
1 194 . 1 1 1 A 20 20 PHE N N 15 118.275 119.567 -1.292 1
1 195 . 1 1 1 A 20 20 PHE H H 15 7.406 7.784 -0.378 1
1 196 . 1 1 1 A 20 20 PHE CA C 15 56.542 56.854 -0.312 1
1 197 . 1 1 1 A 20 20 PHE HA H 15 4.652 4.805 -0.153 1
1 198 . 1 1 1 A 20 20 PHE CB C 15 38.561 40.543 -1.982 1
1 202 . 1 1 1 A 20 20 PHE C C 15 176.160 175.703 0.457 1
1 203 . 1 1 1 A 21 21 ARG N N 16 119.140 122.612 -3.472 1
1 204 . 1 1 1 A 21 21 ARG H H 16 8.714 8.639 0.075 1
1 205 . 1 1 1 A 21 21 ARG CA C 16 54.474 56.610 -2.136 1
1 206 . 1 1 1 A 21 21 ARG HA H 16 4.747 4.306 0.441 1
1 207 . 1 1 1 A 21 21 ARG CB C 16 30.097 31.185 -1.088 1
1 223 . 1 1 1 A 21 21 ARG C C 16 177.095 177.717 -0.622 1
1 224 . 1 1 1 A 22 22 ILE N N 17 120.734 122.104 -1.370 1
1 225 . 1 1 1 A 22 22 ILE H H 17 8.708 8.814 -0.106 1
1 226 . 1 1 1 A 22 22 ILE CA C 17 65.114 64.836 0.278 1
1 227 . 1 1 1 A 22 22 ILE HA H 17 3.740 3.719 0.021 1
1 228 . 1 1 1 A 22 22 ILE CB C 17 36.768 37.707 -0.939 1
1 241 . 1 1 1 A 22 22 ILE C C 17 176.639 177.956 -1.317 1
1 242 . 1 1 1 A 23 23 LYS N N 18 118.184 121.321 -3.137 1
1 243 . 1 1 1 A 23 23 LYS H H 18 8.267 8.202 0.065 1
1 244 . 1 1 1 A 23 23 LYS CA C 18 59.978 59.881 0.097 1
1 245 . 1 1 1 A 23 23 LYS HA H 18 3.909 3.916 -0.007 1
1 246 . 1 1 1 A 23 23 LYS CB C 18 32.191 32.271 -0.080 1
1 258 . 1 1 1 A 23 23 LYS C C 18 178.185 178.754 -0.569 1
1 259 . 1 1 1 A 24 24 GLU N N 19 117.651 120.081 -2.430 1
1 260 . 1 1 1 A 24 24 GLU H H 19 7.198 8.136 -0.938 1
1 261 . 1 1 1 A 24 24 GLU CA C 19 60.601 59.186 1.415 1
1 262 . 1 1 1 A 24 24 GLU HA H 19 4.056 3.916 0.140 1
1 263 . 1 1 1 A 24 24 GLU CB C 19 28.859 29.392 -0.533 1
1 269 . 1 1 1 A 24 24 GLU C C 19 178.542 179.192 -0.650 1
1 270 . 1 1 1 A 25 25 LEU N N 20 119.236 120.265 -1.029 1
1 271 . 1 1 1 A 25 25 LEU H H 20 7.980 8.273 -0.293 1
1 272 . 1 1 1 A 25 25 LEU CA C 20 57.812 57.846 -0.034 1
1 273 . 1 1 1 A 25 25 LEU HA H 20 3.947 4.019 -0.072 1
1 274 . 1 1 1 A 25 25 LEU CB C 20 42.172 40.662 1.510 1
1 281 . 1 1 1 A 25 25 LEU C C 20 178.081 179.172 -1.091 1
1 282 . 1 1 1 A 26 26 LYS N N 21 117.457 121.042 -3.585 1
1 283 . 1 1 1 A 26 26 LYS H H 21 8.770 8.378 0.392 1
1 284 . 1 1 1 A 26 26 LYS CA C 21 60.741 59.851 0.890 1
1 285 . 1 1 1 A 26 26 LYS HA H 21 3.806 3.967 -0.161 1
1 286 . 1 1 1 A 26 26 LYS CB C 21 31.876 31.704 0.172 1
1 287 . 1 1 1 A 26 26 LYS C C 21 177.659 178.849 -1.190 1
1 288 . 1 1 1 A 27 27 ASP N N 22 119.023 119.826 -0.803 1
1 289 . 1 1 1 A 27 27 ASP H H 22 7.671 8.067 -0.396 1
1 290 . 1 1 1 A 27 27 ASP CA C 22 56.971 57.078 -0.107 1
1 291 . 1 1 1 A 27 27 ASP HA H 22 4.409 4.451 -0.042 1
1 292 . 1 1 1 A 27 27 ASP CB C 22 40.196 40.747 -0.551 1
1 295 . 1 1 1 A 27 27 ASP C C 22 180.796 178.819 1.977 1
1 296 . 1 1 1 A 28 28 ILE N N 23 119.318 120.197 -0.879 1
1 297 . 1 1 1 A 28 28 ILE H H 23 8.039 7.783 0.256 1
1 298 . 1 1 1 A 28 28 ILE CA C 23 65.328 65.653 -0.325 1
1 299 . 1 1 1 A 28 28 ILE HA H 23 3.601 3.619 -0.018 1
1 300 . 1 1 1 A 28 28 ILE CB C 23 37.309 38.209 -0.900 1
1 313 . 1 1 1 A 28 28 ILE C C 23 177.251 178.296 -1.045 1
1 314 . 1 1 1 A 29 29 LEU N N 24 120.356 121.444 -1.088 1
1 315 . 1 1 1 A 29 29 LEU H H 24 8.220 8.587 -0.367 1
1 316 . 1 1 1 A 29 29 LEU CA C 24 58.535 58.200 0.335 1
1 317 . 1 1 1 A 29 29 LEU HA H 24 3.824 3.996 -0.172 1
1 318 . 1 1 1 A 29 29 LEU CB C 24 39.478 41.408 -1.930 1
1 326 . 1 1 1 A 29 29 LEU C C 24 178.599 178.333 0.266 1
1 327 . 1 1 1 A 30 30 ASN N N 25 117.446 117.463 -0.017 1
1 328 . 1 1 1 A 30 30 ASN H H 25 8.687 8.387 0.300 1
1 329 . 1 1 1 A 30 30 ASN CA C 25 56.241 56.970 -0.729 1
1 330 . 1 1 1 A 30 30 ASN HA H 25 4.520 4.337 0.183 1
1 331 . 1 1 1 A 30 30 ASN CB C 25 38.899 38.905 -0.006 1
1 338 . 1 1 1 A 30 30 ASN C C 25 178.958 177.873 1.085 1
1 339 . 1 1 1 A 31 31 GLN N N 26 119.946 118.006 1.940 1
1 340 . 1 1 1 A 31 31 GLN H H 26 8.184 7.763 0.421 1
1 341 . 1 1 1 A 31 31 GLN CA C 26 58.779 58.853 -0.074 1
1 342 . 1 1 1 A 31 31 GLN HA H 26 4.055 4.032 0.023 1
1 343 . 1 1 1 A 31 31 GLN CB C 26 29.109 28.172 0.937 1
1 353 . 1 1 1 A 31 31 GLN C C 26 177.586 179.408 -1.822 1
1 354 . 1 1 1 A 32 32 LEU N N 27 116.979 117.840 -0.861 1
1 355 . 1 1 1 A 32 32 LEU H H 27 7.893 7.531 0.362 1
1 356 . 1 1 1 A 32 32 LEU CA C 27 54.393 55.975 -1.582 1
1 357 . 1 1 1 A 32 32 LEU HA H 27 4.240 4.088 0.152 1
1 358 . 1 1 1 A 32 32 LEU CB C 27 42.566 42.759 -0.193 1
1 369 . 1 1 1 A 32 32 LEU C C 27 175.693 177.526 -1.833 1
1 370 . 1 1 1 A 33 33 GLY N N 28 108.299 106.051 2.248 1
1 371 . 1 1 1 A 33 33 GLY H H 28 7.834 7.701 0.133 1
1 372 . 1 1 1 A 33 33 GLY CA C 28 45.707 45.185 0.522 1
1 373 . 1 1 1 A 33 33 GLY HA2 H 28 3.952 4.004 -0.052 1
1 374 . 1 1 1 A 33 33 GLY HA3 H 28 3.952 4.008 -0.056 1
1 375 . 1 1 1 A 33 33 GLY C C 28 174.317 174.672 -0.355 1
1 376 . 1 1 1 A 34 34 LEU N N 29 120.833 121.726 -0.893 1
1 377 . 1 1 1 A 34 34 LEU H H 29 7.986 8.099 -0.113 1
1 378 . 1 1 1 A 34 34 LEU CA C 29 51.600 52.764 -1.164 1
1 379 . 1 1 1 A 34 34 LEU HA H 29 4.760 4.585 0.175 1
1 380 . 1 1 1 A 34 34 LEU CB C 29 43.531 40.934 2.597 1
1 392 . 1 1 1 A 35 35 PRO CA C 30 62.741 62.283 0.458 1
1 393 . 1 1 1 A 35 35 PRO HA H 30 4.365 4.517 -0.152 1
1 394 . 1 1 1 A 35 35 PRO CB C 30 31.856 32.802 -0.946 1
1 402 . 1 1 1 A 35 35 PRO C C 30 177.334 177.058 0.276 1
1 403 . 1 1 1 A 36 36 LYS N N 31 117.589 120.717 -3.128 1
1 404 . 1 1 1 A 36 36 LYS H H 31 8.380 8.813 -0.433 1
1 405 . 1 1 1 A 36 36 LYS CA C 31 55.569 59.362 -3.793 1
1 406 . 1 1 1 A 36 36 LYS HA H 31 4.288 4.124 0.164 1
1 407 . 1 1 1 A 36 36 LYS CB C 31 33.225 32.486 0.739 1
1 417 . 1 1 1 A 36 36 LYS C C 31 174.406 176.259 -1.853 1
1 418 . 1 1 1 A 37 37 GLN N N 32 118.260 115.619 2.641 1
1 419 . 1 1 1 A 37 37 GLN H H 32 7.698 7.680 0.018 1
1 420 . 1 1 1 A 37 37 GLN CA C 32 55.716 54.955 0.761 1
1 421 . 1 1 1 A 37 37 GLN HA H 32 4.392 4.351 0.041 1
1 422 . 1 1 1 A 37 37 GLN CB C 32 28.251 30.227 -1.976 1
1 432 . 1 1 1 A 37 37 GLN C C 32 175.122 175.915 -0.793 1
1 433 . 1 1 1 A 38 38 GLY N N 33 109.855 108.393 1.462 1
1 434 . 1 1 1 A 38 38 GLY H H 33 8.449 8.659 -0.210 1
1 435 . 1 1 1 A 38 38 GLY CA C 33 43.315 45.434 -2.119 1
1 436 . 1 1 1 A 38 38 GLY HA2 H 33 4.600 4.114 0.486 1
1 437 . 1 1 1 A 38 38 GLY HA3 H 33 3.803 4.114 -0.311 1
1 438 . 1 1 1 A 38 38 GLY C C 33 173.537 174.270 -0.733 1
1 439 . 1 1 1 A 39 39 LYS N N 34 117.627 120.657 -3.030 1
1 440 . 1 1 1 A 39 39 LYS H H 34 8.649 8.193 0.456 1
1 441 . 1 1 1 A 39 39 LYS CA C 34 54.916 56.041 -1.125 1
1 442 . 1 1 1 A 39 39 LYS HA H 34 4.395 4.392 0.003 1
1 443 . 1 1 1 A 39 39 LYS CB C 34 32.893 33.253 -0.360 1
1 455 . 1 1 1 A 39 39 LYS C C 34 176.803 177.367 -0.564 1
1 456 . 1 1 1 A 40 40 LYS N N 35 121.705 119.353 2.352 1
1 457 . 1 1 1 A 40 40 LYS H H 35 8.920 8.861 0.059 1
1 458 . 1 1 1 A 40 40 LYS CA C 35 61.574 59.934 1.640 1
1 459 . 1 1 1 A 40 40 LYS HA H 35 3.599 3.919 -0.320 1
1 460 . 1 1 1 A 40 40 LYS CB C 35 31.924 32.121 -0.197 1
1 472 . 1 1 1 A 40 40 LYS C C 35 177.366 178.815 -1.449 1
1 473 . 1 1 1 A 41 41 GLN N N 36 114.634 119.704 -5.070 1
1 474 . 1 1 1 A 41 41 GLN H H 36 9.017 7.944 1.073 1
1 475 . 1 1 1 A 41 41 GLN CA C 36 57.636 59.103 -1.467 1
1 476 . 1 1 1 A 41 41 GLN HA H 36 3.731 3.986 -0.255 1
1 477 . 1 1 1 A 41 41 GLN CB C 36 27.865 28.423 -0.558 1
1 487 . 1 1 1 A 41 41 GLN C C 36 176.872 177.988 -1.116 1
1 488 . 1 1 1 A 42 42 ASP N N 37 115.980 120.120 -4.140 1
1 489 . 1 1 1 A 42 42 ASP H H 37 7.047 8.210 -1.163 1
1 490 . 1 1 1 A 42 42 ASP CA C 37 56.593 57.509 -0.916 1
1 491 . 1 1 1 A 42 42 ASP HA H 37 4.297 4.309 -0.012 1
1 492 . 1 1 1 A 42 42 ASP CB C 37 39.839 40.537 -0.698 1
1 495 . 1 1 1 A 42 42 ASP C C 37 178.454 179.004 -0.550 1
1 496 . 1 1 1 A 43 43 LEU N N 38 119.074 120.379 -1.305 1
1 497 . 1 1 1 A 43 43 LEU H H 38 7.725 8.241 -0.516 1
1 498 . 1 1 1 A 43 43 LEU CA C 38 57.713 58.001 -0.288 1
1 499 . 1 1 1 A 43 43 LEU HA H 38 3.787 3.998 -0.211 1
1 500 . 1 1 1 A 43 43 LEU CB C 38 40.214 42.312 -2.098 1
1 513 . 1 1 1 A 43 43 LEU C C 38 177.872 178.998 -1.126 1
1 514 . 1 1 1 A 44 44 ILE N N 39 118.343 118.850 -0.507 1
1 515 . 1 1 1 A 44 44 ILE H H 39 7.867 8.131 -0.264 1
1 516 . 1 1 1 A 44 44 ILE CA C 39 66.090 65.538 0.552 1
1 517 . 1 1 1 A 44 44 ILE HA H 39 3.321 3.531 -0.210 1
1 518 . 1 1 1 A 44 44 ILE CB C 39 38.013 37.754 0.259 1
1 528 . 1 1 1 A 44 44 ILE C C 39 177.711 177.815 -0.104 1
1 529 . 1 1 1 A 45 45 ASP N N 40 118.533 119.428 -0.895 1
1 530 . 1 1 1 A 45 45 ASP H H 40 8.503 8.587 -0.084 1
1 531 . 1 1 1 A 45 45 ASP CA C 40 57.009 57.285 -0.276 1
1 532 . 1 1 1 A 45 45 ASP HA H 40 4.272 4.458 -0.186 1
1 533 . 1 1 1 A 45 45 ASP CB C 40 39.419 40.209 -0.790 1
1 536 . 1 1 1 A 45 45 ASP C C 40 178.392 179.215 -0.823 1
1 537 . 1 1 1 A 46 46 ARG N N 41 120.911 120.913 -0.002 1
1 538 . 1 1 1 A 46 46 ARG H H 41 7.717 7.808 -0.091 1
1 539 . 1 1 1 A 46 46 ARG CA C 41 59.048 59.702 -0.654 1
1 540 . 1 1 1 A 46 46 ARG HA H 41 3.991 4.045 -0.054 1
1 541 . 1 1 1 A 46 46 ARG CB C 41 29.817 30.735 -0.918 1
1 550 . 1 1 1 A 46 46 ARG C C 41 177.537 178.440 -0.903 1
1 551 . 1 1 1 A 47 47 VAL N N 42 117.438 119.383 -1.945 1
1 552 . 1 1 1 A 47 47 VAL H H 42 7.445 8.077 -0.632 1
1 553 . 1 1 1 A 47 47 VAL CA C 42 65.881 66.422 -0.541 1
1 554 . 1 1 1 A 47 47 VAL HA H 42 3.442 3.651 -0.209 1
1 555 . 1 1 1 A 47 47 VAL CB C 42 30.931 31.663 -0.732 1
1 565 . 1 1 1 A 47 47 VAL C C 42 177.671 178.000 -0.329 1
1 566 . 1 1 1 A 48 48 LEU N N 43 117.085 117.751 -0.666 1
1 567 . 1 1 1 A 48 48 LEU H H 43 8.466 8.097 0.369 1
1 568 . 1 1 1 A 48 48 LEU CA C 43 57.248 57.892 -0.644 1
1 569 . 1 1 1 A 48 48 LEU HA H 43 3.847 3.916 -0.069 1
1 570 . 1 1 1 A 48 48 LEU CB C 43 40.720 41.264 -0.544 1
1 583 . 1 1 1 A 48 48 LEU C C 43 179.581 179.373 0.208 1
1 584 . 1 1 1 A 49 49 ALA N N 44 120.479 121.824 -1.345 1
1 585 . 1 1 1 A 49 49 ALA H H 44 7.953 8.140 -0.187 1
1 586 . 1 1 1 A 49 49 ALA CA C 44 53.997 54.378 -0.381 1
1 587 . 1 1 1 A 49 49 ALA HA H 44 4.123 4.126 -0.003 1
1 591 . 1 1 1 A 49 49 ALA CB C 44 17.631 18.409 -0.778 1
1 592 . 1 1 1 A 49 49 ALA C C 44 178.926 179.662 -0.736 1
1 593 . 1 1 1 A 50 50 LEU N N 45 115.306 120.601 -5.295 1
1 594 . 1 1 1 A 50 50 LEU H H 45 7.428 7.845 -0.417 1
1 595 . 1 1 1 A 50 50 LEU CA C 45 55.652 57.652 -2.000 1
1 596 . 1 1 1 A 50 50 LEU HA H 45 4.219 4.082 0.137 1
1 597 . 1 1 1 A 50 50 LEU CB C 45 41.846 41.931 -0.085 1
1 610 . 1 1 1 A 50 50 LEU C C 45 177.840 178.625 -0.785 1
1 611 . 1 1 1 A 51 51 LEU N N 46 115.880 118.895 -3.015 1
1 612 . 1 1 1 A 51 51 LEU H H 46 7.642 7.863 -0.221 1
1 613 . 1 1 1 A 51 51 LEU CA C 46 54.693 55.739 -1.046 1
1 614 . 1 1 1 A 51 51 LEU HA H 46 4.265 4.226 0.039 1
1 615 . 1 1 1 A 51 51 LEU CB C 46 42.040 42.051 -0.011 1
1 625 . 1 1 1 A 51 51 LEU C C 46 176.015 177.321 -1.306 1
1 626 . 1 1 1 A 52 52 THR N N 47 109.201 112.565 -3.364 1
1 627 . 1 1 1 A 52 52 THR H H 47 7.516 7.450 0.066 1
1 628 . 1 1 1 A 52 52 THR CA C 47 60.834 64.466 -3.632 1
1 629 . 1 1 1 A 52 52 THR HA H 47 4.348 4.252 0.096 1
1 630 . 1 1 1 A 52 52 THR CB C 47 69.704 69.906 -0.202 1
1 636 . 1 1 1 A 52 52 THR C C 47 173.733 175.246 -1.513 1
1 637 . 1 1 1 A 53 53 ASP N N 48 122.188 118.128 4.060 1
1 638 . 1 1 1 A 53 53 ASP H H 48 8.280 8.100 0.180 1
1 639 . 1 1 1 A 53 53 ASP CA C 48 54.185 55.306 -1.121 1
1 640 . 1 1 1 A 53 53 ASP HA H 48 4.699 4.503 0.196 1
1 641 . 1 1 1 A 53 53 ASP CB C 48 40.749 41.187 -0.438 1
1 645 . 1 1 1 A 53 53 ASP C C 48 176.000 176.647 -0.647 1
1 646 . 1 1 1 A 54 54 GLU N N 49 121.966 118.963 3.003 1
1 647 . 1 1 1 A 54 54 GLU H H 49 8.588 7.800 0.788 1
1 648 . 1 1 1 A 54 54 GLU CA C 49 56.604 55.564 1.040 1
1 649 . 1 1 1 A 54 54 GLU HA H 49 4.229 4.634 -0.405 1
1 650 . 1 1 1 A 54 54 GLU CB C 49 29.642 30.865 -1.223 1
1 656 . 1 1 1 A 54 54 GLU C C 49 176.589 176.719 -0.130 1
1 657 . 1 1 1 A 55 55 GLN N N 50 120.727 119.673 1.054 1
1 658 . 1 1 1 A 55 55 GLN H H 50 8.642 7.974 0.668 1
1 659 . 1 1 1 A 55 55 GLN CA C 50 56.165 56.903 -0.738 1
1 660 . 1 1 1 A 55 55 GLN HA H 50 4.226 4.176 0.050 1
1 661 . 1 1 1 A 55 55 GLN CB C 50 28.555 28.268 0.287 1
1 671 . 1 1 1 A 55 55 GLN C C 50 176.554 177.027 -0.473 1
1 672 . 1 1 1 A 56 56 GLY N N 51 109.357 109.472 -0.115 1
1 673 . 1 1 1 A 56 56 GLY H H 51 8.519 8.050 0.469 1
1 674 . 1 1 1 A 56 56 GLY CA C 51 45.276 47.053 -1.777 1
1 675 . 1 1 1 A 56 56 GLY HA2 H 51 3.951 4.039 -0.088 1
1 676 . 1 1 1 A 56 56 GLY HA3 H 51 3.815 4.084 -0.269 1
1 677 . 1 1 1 A 56 56 GLY C C 51 174.146 175.206 -1.060 1
1 678 . 1 1 1 A 57 57 GLN N N 52 119.207 119.436 -0.229 1
1 679 . 1 1 1 A 57 57 GLN H H 52 8.263 8.529 -0.266 1
1 680 . 1 1 1 A 57 57 GLN CA C 52 55.650 58.399 -2.749 1
1 681 . 1 1 1 A 57 57 GLN HA H 52 4.217 4.197 0.020 1
1 682 . 1 1 1 A 57 57 GLN CB C 52 28.723 28.662 0.061 1
1 692 . 1 1 1 A 57 57 GLN C C 52 175.872 176.885 -1.013 1
1 693 . 1 1 1 A 58 58 ARG N N 53 120.525 116.901 3.624 1
1 694 . 1 1 1 A 58 58 ARG H H 53 8.279 8.020 0.259 1
1 695 . 1 1 1 A 58 58 ARG CA C 53 55.854 55.428 0.426 1
1 696 . 1 1 1 A 58 58 ARG HA H 53 4.204 4.662 -0.458 1
1 697 . 1 1 1 A 58 58 ARG CB C 53 29.944 30.765 -0.821 1
1 708 . 1 1 1 A 58 58 ARG C C 53 175.819 175.679 0.140 1
1 709 . 1 1 1 A 59 59 HIS N N 54 118.905 120.073 -1.168 1
1 710 . 1 1 1 A 59 59 HIS H H 54 8.397 7.765 0.632 1
1 711 . 1 1 1 A 59 59 HIS CA C 54 55.130 54.964 0.166 1
1 712 . 1 1 1 A 59 59 HIS HA H 54 4.554 4.780 -0.226 1
1 713 . 1 1 1 A 59 59 HIS CB C 54 28.953 30.444 -1.491 1
1 716 . 1 1 1 A 59 59 HIS C C 54 174.248 173.275 0.973 1
1 717 . 1 1 1 A 60 60 HIS N N 55 119.527 116.944 2.583 1
1 718 . 1 1 1 A 60 60 HIS H H 55 8.493 7.985 0.508 1
1 719 . 1 1 1 A 60 60 HIS CA C 55 55.589 53.320 2.269 1
1 720 . 1 1 1 A 60 60 HIS HA H 55 4.553 4.450 0.103 1
1 721 . 1 1 1 A 60 60 HIS CB C 55 28.913 31.893 -2.980 1
1 724 . 1 1 1 A 60 60 HIS C C 55 174.759 174.449 0.310 1
1 725 . 1 1 1 A 61 61 GLY N N 56 110.215 107.347 2.868 1
1 726 . 1 1 1 A 61 61 GLY H H 56 8.604 7.136 1.468 1
1 727 . 1 1 1 A 61 61 GLY CA C 56 44.977 45.068 -0.091 1
1 728 . 1 1 1 A 61 61 GLY HA2 H 56 3.958 3.646 0.312 1
1 729 . 1 1 1 A 61 61 GLY HA3 H 56 3.833 3.724 0.109 1
1 730 . 1 1 1 A 61 61 GLY C C 56 173.752 174.353 -0.601 1
1 731 . 1 1 1 A 62 62 TRP N N 57 120.700 118.290 2.410 1
1 732 . 1 1 1 A 62 62 TRP H H 57 8.175 7.088 1.087 1
1 733 . 1 1 1 A 62 62 TRP CA C 57 56.935 58.148 -1.213 1
1 734 . 1 1 1 A 62 62 TRP HA H 57 4.658 4.718 -0.060 1
1 735 . 1 1 1 A 62 62 TRP CB C 57 29.018 30.797 -1.779 1
1 750 . 1 1 1 A 62 62 TRP C C 57 176.442 177.497 -1.055 1
1 751 . 1 1 1 A 63 63 GLY N N 58 110.195 108.411 1.784 1
1 752 . 1 1 1 A 63 63 GLY H H 58 8.452 8.516 -0.064 1
1 753 . 1 1 1 A 63 63 GLY CA C 58 45.052 45.839 -0.787 1
1 754 . 1 1 1 A 63 63 GLY HA2 H 58 3.925 4.108 -0.183 1
1 755 . 1 1 1 A 63 63 GLY HA3 H 58 3.833 4.211 -0.378 1
1 756 . 1 1 1 A 63 63 GLY C C 58 173.738 175.296 -1.558 1
1 757 . 1 1 1 A 64 64 ARG N N 59 120.374 120.384 -0.010 1
1 758 . 1 1 1 A 64 64 ARG H H 59 8.136 8.202 -0.066 1
1 759 . 1 1 1 A 64 64 ARG CA C 59 55.779 56.267 -0.488 1
1 760 . 1 1 1 A 64 64 ARG HA H 59 4.287 4.449 -0.162 1
1 761 . 1 1 1 A 64 64 ARG CB C 59 30.244 31.184 -0.940 1
1 772 . 1 1 1 A 64 64 ARG C C 59 176.269 175.869 0.400 1
1 773 . 1 1 1 A 65 65 LYS N N 60 121.590 120.879 0.711 1
1 774 . 1 1 1 A 65 65 LYS H H 60 8.483 7.905 0.578 1
1 775 . 1 1 1 A 65 65 LYS CA C 60 56.435 55.762 0.673 1
1 776 . 1 1 1 A 65 65 LYS HA H 60 4.226 4.488 -0.262 1
1 777 . 1 1 1 A 65 65 LYS CB C 60 32.259 33.780 -1.521 1
1 783 . 1 1 1 A 65 65 LYS C C 60 176.075 176.551 -0.476 1
1 784 . 1 1 1 A 66 66 ASN N N 61 118.654 118.547 0.107 1
1 785 . 1 1 1 A 66 66 ASN H H 61 8.413 8.348 0.065 1
1 786 . 1 1 1 A 66 66 ASN CA C 61 53.042 53.426 -0.384 1
1 787 . 1 1 1 A 66 66 ASN HA H 61 4.651 4.478 0.173 1
1 788 . 1 1 1 A 66 66 ASN CB C 61 38.348 37.445 0.903 1
1 795 . 1 1 1 A 66 66 ASN C C 61 174.530 175.714 -1.184 1
1 796 . 1 1 1 A 67 67 SER N N 62 115.494 116.198 -0.704 1
1 797 . 1 1 1 A 67 67 SER H H 62 8.289 8.036 0.253 1
1 798 . 1 1 1 A 67 67 SER CA C 62 58.090 60.781 -2.691 1
1 799 . 1 1 1 A 67 67 SER HA H 62 4.294 4.236 0.058 1
1 800 . 1 1 1 A 67 67 SER CB C 62 63.205 62.829 0.376 1
1 803 . 1 1 1 A 67 67 SER C C 62 173.894 174.917 -1.023 1
1 804 . 1 1 1 A 68 68 LEU N N 63 123.552 114.072 9.480 1
1 805 . 1 1 1 A 68 68 LEU H H 63 8.063 7.401 0.662 1
1 806 . 1 1 1 A 68 68 LEU CA C 63 54.124 53.656 0.468 1
1 807 . 1 1 1 A 68 68 LEU HA H 63 4.495 4.627 -0.132 1
1 808 . 1 1 1 A 68 68 LEU CB C 63 42.447 41.713 0.734 1
1 821 . 1 1 1 A 68 68 LEU C C 63 176.587 175.312 1.275 1
1 822 . 1 1 1 A 69 69 THR N N 64 112.637 113.679 -1.042 1
1 823 . 1 1 1 A 69 69 THR H H 64 7.797 7.151 0.646 1
1 824 . 1 1 1 A 69 69 THR CA C 64 60.021 60.310 -0.289 1
1 825 . 1 1 1 A 69 69 THR HA H 64 4.490 4.594 -0.104 1
1 826 . 1 1 1 A 69 69 THR CB C 64 70.896 70.785 0.111 1
1 832 . 1 1 1 A 69 69 THR C C 64 174.998 174.899 0.099 1
1 833 . 1 1 1 A 70 70 LYS N N 65 120.128 123.790 -3.662 1
1 834 . 1 1 1 A 70 70 LYS H H 65 9.059 9.102 -0.043 1
1 835 . 1 1 1 A 70 70 LYS CA C 65 59.374 60.248 -0.874 1
1 836 . 1 1 1 A 70 70 LYS HA H 65 3.941 3.918 0.023 1
1 837 . 1 1 1 A 70 70 LYS CB C 65 31.830 31.970 -0.140 1
1 843 . 1 1 1 A 70 70 LYS C C 65 177.539 178.588 -1.049 1
1 844 . 1 1 1 A 71 71 GLU N N 66 117.667 120.129 -2.462 1
1 845 . 1 1 1 A 71 71 GLU H H 66 8.699 8.546 0.153 1
1 846 . 1 1 1 A 71 71 GLU CA C 66 60.307 59.287 1.020 1
1 847 . 1 1 1 A 71 71 GLU HA H 66 3.812 4.060 -0.248 1
1 848 . 1 1 1 A 71 71 GLU CB C 66 27.903 29.435 -1.532 1
1 855 . 1 1 1 A 71 71 GLU C C 66 178.499 179.062 -0.563 1
1 856 . 1 1 1 A 72 72 ALA N N 67 123.914 122.456 1.458 1
1 857 . 1 1 1 A 72 72 ALA H H 67 7.991 7.268 0.723 1
1 858 . 1 1 1 A 72 72 ALA CA C 67 54.601 54.986 -0.385 1
1 859 . 1 1 1 A 72 72 ALA HA H 67 4.116 4.065 0.051 1
1 863 . 1 1 1 A 72 72 ALA CB C 67 18.288 18.502 -0.214 1
1 864 . 1 1 1 A 72 72 ALA C C 67 178.721 179.572 -0.851 1
1 865 . 1 1 1 A 73 73 VAL N N 68 119.435 117.840 1.595 1
1 866 . 1 1 1 A 73 73 VAL H H 68 8.045 7.987 0.058 1
1 867 . 1 1 1 A 73 73 VAL CA C 68 66.211 66.644 -0.433 1
1 868 . 1 1 1 A 73 73 VAL HA H 68 3.470 3.544 -0.074 1
1 869 . 1 1 1 A 73 73 VAL CB C 68 31.103 31.585 -0.482 1
1 879 . 1 1 1 A 73 73 VAL C C 68 177.001 178.461 -1.460 1
1 880 . 1 1 1 A 74 74 ALA N N 69 120.667 121.763 -1.096 1
1 881 . 1 1 1 A 74 74 ALA H H 69 8.407 8.422 -0.015 1
1 882 . 1 1 1 A 74 74 ALA CA C 69 54.687 55.236 -0.549 1
1 883 . 1 1 1 A 74 74 ALA HA H 69 3.981 3.997 -0.016 1
1 887 . 1 1 1 A 74 74 ALA CB C 69 18.048 18.138 -0.090 1
1 888 . 1 1 1 A 74 74 ALA C C 69 178.865 179.433 -0.568 1
1 889 . 1 1 1 A 75 75 LYS N N 70 118.628 118.054 0.574 1
1 890 . 1 1 1 A 75 75 LYS H H 70 7.930 7.885 0.045 1
1 891 . 1 1 1 A 75 75 LYS CA C 70 58.914 60.182 -1.268 1
1 892 . 1 1 1 A 75 75 LYS HA H 70 4.105 3.902 0.203 1
1 893 . 1 1 1 A 75 75 LYS CB C 70 31.806 32.258 -0.452 1
1 903 . 1 1 1 A 75 75 LYS C C 70 177.409 178.667 -1.258 1
1 904 . 1 1 1 A 76 76 ILE N N 71 120.231 119.442 0.789 1
1 905 . 1 1 1 A 76 76 ILE H H 71 7.478 7.854 -0.376 1
1 906 . 1 1 1 A 76 76 ILE CA C 71 64.835 64.992 -0.157 1
1 907 . 1 1 1 A 76 76 ILE HA H 71 3.973 3.621 0.352 1
1 908 . 1 1 1 A 76 76 ILE CB C 71 37.788 37.778 0.010 1
1 921 . 1 1 1 A 76 76 ILE C C 71 179.734 177.647 2.087 1
1 922 . 1 1 1 A 77 77 VAL N N 72 122.505 119.631 2.874 1
1 923 . 1 1 1 A 77 77 VAL H H 72 8.325 7.873 0.452 1
1 924 . 1 1 1 A 77 77 VAL CA C 72 67.425 66.602 0.823 1
1 925 . 1 1 1 A 77 77 VAL HA H 72 3.581 3.448 0.133 1
1 926 . 1 1 1 A 77 77 VAL CB C 72 30.885 31.491 -0.606 1
1 936 . 1 1 1 A 77 77 VAL C C 72 176.939 177.932 -0.993 1
1 937 . 1 1 1 A 78 78 ASP N N 73 120.524 120.439 0.085 1
1 938 . 1 1 1 A 78 78 ASP H H 73 8.798 8.248 0.550 1
1 939 . 1 1 1 A 78 78 ASP CA C 73 58.163 57.729 0.434 1
1 940 . 1 1 1 A 78 78 ASP HA H 73 4.392 4.348 0.044 1
1 941 . 1 1 1 A 78 78 ASP CB C 73 41.459 41.208 0.251 1
1 945 . 1 1 1 A 78 78 ASP C C 73 178.122 178.078 0.044 1
1 946 . 1 1 1 A 79 79 ASP N N 74 119.762 119.117 0.645 1
1 947 . 1 1 1 A 79 79 ASP H H 74 9.318 8.035 1.283 1
1 948 . 1 1 1 A 79 79 ASP CA C 74 57.122 57.158 -0.036 1
1 949 . 1 1 1 A 79 79 ASP HA H 74 4.405 4.328 0.077 1
1 950 . 1 1 1 A 79 79 ASP CB C 74 39.850 40.407 -0.557 1
1 954 . 1 1 1 A 79 79 ASP C C 74 178.921 178.993 -0.072 1
1 955 . 1 1 1 A 80 80 THR N N 75 117.347 116.947 0.400 1
1 956 . 1 1 1 A 80 80 THR H H 75 8.084 7.794 0.290 1
1 957 . 1 1 1 A 80 80 THR CA C 75 67.055 66.349 0.706 1
1 958 . 1 1 1 A 80 80 THR HA H 75 3.846 3.679 0.167 1
1 959 . 1 1 1 A 80 80 THR CB C 75 67.692 67.845 -0.153 1
1 965 . 1 1 1 A 80 80 THR C C 75 175.367 175.855 -0.488 1
1 966 . 1 1 1 A 81 81 TYR N N 76 123.735 122.460 1.275 1
1 967 . 1 1 1 A 81 81 TYR H H 76 8.830 8.063 0.767 1
1 968 . 1 1 1 A 81 81 TYR CA C 76 61.712 61.916 -0.204 1
1 969 . 1 1 1 A 81 81 TYR HA H 76 4.269 4.451 -0.182 1
1 970 . 1 1 1 A 81 81 TYR CB C 76 38.639 38.935 -0.296 1
1 974 . 1 1 1 A 81 81 TYR C C 76 176.700 177.623 -0.923 1
1 975 . 1 1 1 A 82 82 ARG N N 77 118.508 120.910 -2.402 1
1 976 . 1 1 1 A 82 82 ARG H H 77 8.755 8.832 -0.077 1
1 977 . 1 1 1 A 82 82 ARG CA C 77 58.776 59.011 -0.235 1
1 978 . 1 1 1 A 82 82 ARG HA H 77 3.892 4.156 -0.264 1
1 979 . 1 1 1 A 82 82 ARG CB C 77 29.459 30.404 -0.945 1
1 995 . 1 1 1 A 82 82 ARG C C 77 178.748 178.513 0.235 1
1 996 . 1 1 1 A 83 83 LYS N N 78 118.075 119.768 -1.693 1
1 997 . 1 1 1 A 83 83 LYS H H 78 7.696 7.840 -0.144 1
1 998 . 1 1 1 A 83 83 LYS CA C 78 58.614 59.101 -0.487 1
1 999 . 1 1 1 A 83 83 LYS HA H 78 4.031 4.140 -0.109 1
1 1000 . 1 1 1 A 83 83 LYS CB C 78 32.055 31.644 0.411 1
1 1005 . 1 1 1 A 83 83 LYS C C 78 177.890 178.799 -0.909 1
1 1006 . 1 1 1 A 84 84 MET N N 79 118.233 119.615 -1.382 1
1 1007 . 1 1 1 A 84 84 MET H H 79 7.748 7.952 -0.204 1
1 1008 . 1 1 1 A 84 84 MET CA C 79 57.254 58.263 -1.009 1
1 1009 . 1 1 1 A 84 84 MET HA H 79 4.189 4.174 0.015 1
1 1010 . 1 1 1 A 84 84 MET CB C 79 32.169 32.687 -0.518 1
1 1020 . 1 1 1 A 84 84 MET C C 79 177.036 176.969 0.067 1
1 1021 . 1 1 1 A 85 85 GLN N N 80 117.242 115.500 1.742 1
1 1022 . 1 1 1 A 85 85 GLN H H 80 7.843 7.465 0.378 1
1 1023 . 1 1 1 A 85 85 GLN CA C 80 56.500 54.674 1.826 1
1 1024 . 1 1 1 A 85 85 GLN HA H 80 3.993 4.543 -0.550 1
1 1025 . 1 1 1 A 85 85 GLN CB C 80 28.124 30.199 -2.075 1
1 1035 . 1 1 1 A 85 85 GLN C C 80 176.756 175.675 1.081 1
1 1036 . 1 1 1 A 86 86 ILE N N 81 119.178 116.950 2.228 1
1 1037 . 1 1 1 A 86 86 ILE H H 81 7.715 7.906 -0.191 1
1 1038 . 1 1 1 A 86 86 ILE CA C 81 61.995 64.044 -2.049 1
1 1039 . 1 1 1 A 86 86 ILE HA H 81 3.948 4.173 -0.225 1
1 1040 . 1 1 1 A 86 86 ILE CB C 81 37.856 36.362 1.494 1
1 1052 . 1 1 1 A 86 86 ILE C C 81 176.728 175.440 1.288 1
1 1053 . 1 1 1 A 87 87 GLN N N 82 121.380 120.194 1.186 1
1 1054 . 1 1 1 A 87 87 GLN H H 82 8.164 8.713 -0.549 1
1 1055 . 1 1 1 A 87 87 GLN CA C 82 56.075 57.745 -1.670 1
1 1056 . 1 1 1 A 87 87 GLN HA H 82 4.227 4.379 -0.152 1
1 1057 . 1 1 1 A 87 87 GLN CB C 82 28.735 28.323 0.412 1
1 1066 . 1 1 1 A 87 87 GLN C C 82 175.836 174.842 0.994 1
1 1067 . 1 1 1 A 88 88 CYS N N 83 118.668 121.656 -2.988 1
1 1068 . 1 1 1 A 88 88 CYS H H 83 8.238 8.600 -0.362 1
1 1069 . 1 1 1 A 88 88 CYS CA C 83 58.012 58.102 -0.090 1
1 1070 . 1 1 1 A 88 88 CYS HA H 83 4.475 4.662 -0.187 1
1 1071 . 1 1 1 A 88 88 CYS CB C 83 27.697 27.622 0.075 1
1 1074 . 1 1 1 A 88 88 CYS C C 83 173.428 174.175 -0.747 1
1 1075 . 1 1 1 A 89 89 ALA N N 84 127.014 122.231 4.783 1
1 1076 . 1 1 1 A 89 89 ALA H H 84 8.249 8.037 0.212 1
1 1077 . 1 1 1 A 89 89 ALA CA C 84 50.615 53.383 -2.768 1
1 1078 . 1 1 1 A 89 89 ALA HA H 84 4.562 4.197 0.365 1
1 1082 . 1 1 1 A 89 89 ALA CB C 84 17.465 18.247 -0.782 1
1 1083 . 1 1 1 A 89 89 ALA C C 84 175.125 177.442 -2.317 1
1 1085 . 1 1 1 A 90 90 PRO CA C 85 63.085 63.293 -0.208 1
1 1086 . 1 1 1 A 90 90 PRO HA H 85 4.386 4.072 0.314 1
1 1087 . 1 1 1 A 90 90 PRO CB C 85 31.491 31.636 -0.145 1
1 1095 . 1 1 1 A 90 90 PRO C C 85 176.381 177.179 -0.798 1
1 1096 . 1 1 1 A 91 91 ASP N N 86 119.209 118.933 0.276 1
1 1097 . 1 1 1 A 91 91 ASP H H 86 8.429 8.032 0.397 1
1 1098 . 1 1 1 A 91 91 ASP CA C 86 53.752 55.299 -1.547 1
1 1099 . 1 1 1 A 91 91 ASP HA H 86 4.394 4.298 0.096 1
1 1100 . 1 1 1 A 91 91 ASP CB C 86 40.319 40.213 0.106 1
1 1103 . 1 1 1 A 91 91 ASP C C 86 176.101 176.470 -0.369 1
1 1104 . 1 1 1 A 92 92 LEU N N 87 122.571 120.982 1.589 1
1 1105 . 1 1 1 A 92 92 LEU H H 87 8.208 7.806 0.402 1
1 1106 . 1 1 1 A 92 92 LEU CA C 87 55.327 57.873 -2.546 1
1 1107 . 1 1 1 A 92 92 LEU HA H 87 4.205 3.945 0.260 1
1 1108 . 1 1 1 A 92 92 LEU CB C 87 41.636 42.114 -0.478 1
1 1121 . 1 1 1 A 92 92 LEU C C 87 177.406 177.352 0.054 1
1 1122 . 1 1 1 A 93 93 ALA N N 88 123.131 118.376 4.755 1
1 1123 . 1 1 1 A 93 93 ALA H H 88 8.305 7.504 0.801 1
1 1124 . 1 1 1 A 93 93 ALA CA C 88 52.823 52.811 0.012 1
1 1125 . 1 1 1 A 93 93 ALA HA H 88 4.245 4.428 -0.183 1
1 1129 . 1 1 1 A 93 93 ALA CB C 88 18.496 21.245 -2.749 1
1 1130 . 1 1 1 A 93 93 ALA C C 88 178.033 177.834 0.199 1
1 1131 . 1 1 1 A 94 94 THR N N 89 112.097 109.076 3.021 1
1 1132 . 1 1 1 A 94 94 THR H H 89 7.994 8.256 -0.262 1
1 1133 . 1 1 1 A 94 94 THR CA C 89 61.892 63.044 -1.152 1
1 1134 . 1 1 1 A 94 94 THR HA H 89 4.247 3.957 0.290 1
1 1135 . 1 1 1 A 94 94 THR CB C 89 69.076 66.468 2.608 1
1 1141 . 1 1 1 A 94 94 THR C C 89 174.478 173.883 0.595 1
1 1142 . 1 1 1 A 95 95 ARG N N 90 122.704 113.721 8.983 1
1 1143 . 1 1 1 A 95 95 ARG H H 90 8.211 8.445 -0.234 1
1 1144 . 1 1 1 A 95 95 ARG CA C 90 55.803 57.566 -1.763 1
1 1145 . 1 1 1 A 95 95 ARG HA H 90 4.336 3.902 0.434 1
1 1146 . 1 1 1 A 95 95 ARG CB C 90 30.263 27.272 2.991 1
1 1157 . 1 1 1 A 95 95 ARG C C 90 175.958 175.752 0.206 1
1 1158 . 1 1 1 A 96 96 SER N N 91 116.390 113.503 2.887 1
1 1159 . 1 1 1 A 96 96 SER H H 91 8.365 8.024 0.341 1
1 1160 . 1 1 1 A 96 96 SER CA C 91 58.011 57.324 0.687 1
1 1161 . 1 1 1 A 96 96 SER HA H 91 4.383 4.699 -0.316 1
1 1162 . 1 1 1 A 96 96 SER CB C 91 63.261 61.462 1.799 1
1 1165 . 1 1 1 A 96 96 SER C C 91 174.016 174.432 -0.416 1
1 1166 . 1 1 1 A 97 97 HIS N N 92 120.507 119.021 1.486 1
1 1167 . 1 1 1 A 97 97 HIS H H 92 8.541 8.046 0.495 1
1 1168 . 1 1 1 A 97 97 HIS CA C 92 55.068 56.870 -1.802 1
1 1169 . 1 1 1 A 97 97 HIS HA H 92 4.707 4.744 -0.037 1
1 1170 . 1 1 1 A 97 97 HIS CB C 92 28.839 32.226 -3.387 1
1 1173 . 1 1 1 A 97 97 HIS C C 92 174.186 174.870 -0.684 1
1 1174 . 1 1 1 A 98 98 SER N N 93 116.801 110.333 6.468 1
1 1175 . 1 1 1 A 98 98 SER H H 93 8.455 7.873 0.582 1
1 1176 . 1 1 1 A 98 98 SER CA C 93 58.046 57.975 0.071 1
1 1177 . 1 1 1 A 98 98 SER HA H 93 4.450 4.670 -0.220 1
1 1178 . 1 1 1 A 98 98 SER CB C 93 63.434 66.409 -2.975 1
1 1181 . 1 1 1 A 98 98 SER C C 93 174.553 173.547 1.006 1
1 1182 . 1 1 1 A 99 99 GLY N N 94 111.114 112.138 -1.024 1
1 1183 . 1 1 1 A 99 99 GLY H H 94 8.597 8.530 0.067 1
1 1184 . 1 1 1 A 99 99 GLY CA C 94 44.888 44.964 -0.076 1
1 1185 . 1 1 1 A 99 99 GLY HA2 H 94 3.998 4.156 -0.158 1
1 1186 . 1 1 1 A 99 99 GLY HA3 H 94 3.998 4.159 -0.161 1
1 1187 . 1 1 1 A 99 99 GLY C C 94 173.856 174.378 -0.522 1
1 1188 . 1 1 1 A 100 100 SER N N 95 115.398 118.439 -3.041 1
1 1189 . 1 1 1 A 100 100 SER H H 95 8.311 8.818 -0.507 1
1 1190 . 1 1 1 A 100 100 SER CA C 95 57.909 57.706 0.203 1
1 1191 . 1 1 1 A 100 100 SER HA H 95 4.422 4.774 -0.352 1
1 1192 . 1 1 1 A 100 100 SER CB C 95 63.377 64.626 -1.249 1
1 1195 . 1 1 1 A 100 100 SER C C 95 173.695 174.240 -0.545 1
1 1196 . 1 1 1 A 101 101 ASP N N 96 121.810 120.268 1.542 1
1 1197 . 1 1 1 A 101 101 ASP H H 96 8.380 7.934 0.446 1
1 1198 . 1 1 1 A 101 101 ASP CA C 96 53.797 54.200 -0.403 1
1 1199 . 1 1 1 A 101 101 ASP HA H 96 4.546 4.852 -0.306 1
1 1200 . 1 1 1 A 101 101 ASP CB C 96 40.440 42.329 -1.889 1
1 1203 . 1 1 1 A 101 101 ASP C C 96 175.547 176.338 -0.791 1
1 1204 . 1 1 1 A 102 102 PHE N N 97 120.706 116.799 3.907 1
1 1205 . 1 1 1 A 102 102 PHE H H 97 8.249 7.957 0.292 1
1 1206 . 1 1 1 A 102 102 PHE CA C 97 57.444 57.173 0.271 1
1 1207 . 1 1 1 A 102 102 PHE HA H 97 4.546 4.669 -0.123 1
1 1208 . 1 1 1 A 102 102 PHE CB C 97 38.772 38.833 -0.061 1
1 1214 . 1 1 1 A 102 102 PHE C C 97 175.312 175.057 0.255 1
1 1215 . 1 1 1 A 103 103 SER N N 98 116.992 115.179 1.813 1
1 1216 . 1 1 1 A 103 103 SER H H 98 8.167 7.582 0.585 1
1 1217 . 1 1 1 A 103 103 SER CA C 98 57.983 57.561 0.422 1
1 1218 . 1 1 1 A 103 103 SER HA H 98 4.314 4.587 -0.273 1
1 1219 . 1 1 1 A 103 103 SER CB C 98 63.384 64.108 -0.724 1
1 1222 . 1 1 1 A 103 103 SER C C 98 173.286 174.155 -0.869 1
1 1223 . 1 1 1 A 104 104 PHE N N 99 122.000 117.055 4.945 1
1 1224 . 1 1 1 A 104 104 PHE H H 99 8.170 8.378 -0.208 1
1 1225 . 1 1 1 A 104 104 PHE CA C 99 57.354 58.906 -1.552 1
1 1226 . 1 1 1 A 104 104 PHE HA H 99 4.545 4.024 0.521 1
1 1227 . 1 1 1 A 104 104 PHE CB C 99 39.045 35.938 3.107 1
1 1233 . 1 1 1 A 104 104 PHE C C 99 174.621 174.771 -0.150 1
1 1234 . 1 1 1 A 105 105 ARG N N 100 124.796 117.202 7.594 1
1 1235 . 1 1 1 A 105 105 ARG H H 100 8.101 7.689 0.412 1
1 1236 . 1 1 1 A 105 105 ARG CA C 100 52.919 55.505 -2.586 1
1 1237 . 1 1 1 A 105 105 ARG HA H 100 4.542 4.619 -0.077 1
1 1238 . 1 1 1 A 105 105 ARG CB C 100 29.973 30.334 -0.361 1
1 1247 . 1 1 1 A 105 105 ARG C C 100 172.924 175.893 -2.969 1
1 1249 . 1 1 1 A 106 106 PRO CA C 101 62.366 62.395 -0.029 1
1 1250 . 1 1 1 A 106 106 PRO HA H 101 4.349 4.695 -0.346 1
1 1251 . 1 1 1 A 106 106 PRO CB C 101 31.609 33.386 -1.777 1
1 1259 . 1 1 1 A 106 106 PRO C C 101 176.395 176.631 -0.236 1
1 1260 . 1 1 1 A 107 107 ILE N N 102 121.380 120.597 0.783 1
1 1261 . 1 1 1 A 107 107 ILE H H 102 8.350 8.706 -0.356 1
1 1262 . 1 1 1 A 107 107 ILE CA C 102 60.925 60.577 0.348 1
1 1263 . 1 1 1 A 107 107 ILE HA H 102 4.050 4.533 -0.483 1
1 1264 . 1 1 1 A 107 107 ILE CB C 102 38.165 37.693 0.472 1
1 1277 . 1 1 1 A 107 107 ILE C C 102 175.990 175.519 0.471 1
1 1278 . 1 1 1 A 108 108 GLU N N 103 124.836 119.859 4.977 1
1 1279 . 1 1 1 A 108 108 GLU H H 103 8.578 8.421 0.157 1
1 1280 . 1 1 1 A 108 108 GLU CA C 103 55.915 57.558 -1.643 1
1 1281 . 1 1 1 A 108 108 GLU HA H 103 4.279 3.949 0.330 1
1 1282 . 1 1 1 A 108 108 GLU CB C 103 29.902 28.504 1.398 1
1 1288 . 1 1 1 A 108 108 GLU C C 103 175.678 175.712 -0.034 1
1 1289 . 1 1 1 A 109 109 GLU N N 104 122.847 117.137 5.710 1
1 1290 . 1 1 1 A 109 109 GLU H H 104 8.459 8.486 -0.027 1
1 1291 . 1 1 1 A 109 109 GLU CA C 104 55.845 57.486 -1.641 1
1 1292 . 1 1 1 A 109 109 GLU HA H 104 4.273 4.027 0.246 1
1 1293 . 1 1 1 A 109 109 GLU CB C 104 29.990 28.432 1.558 1
1 1299 . 1 1 1 A 109 109 GLU C C 104 174.661 175.284 -0.623 1
1 3 . 2 1 1 A 2 2 SER N N -4 115.528 116.340 -0.812 1
1 4 . 2 1 1 A 2 2 SER H H -4 8.751 8.748 0.003 1
1 5 . 2 1 1 A 2 2 SER CA C -4 57.819 61.165 -3.346 1
1 6 . 2 1 1 A 2 2 SER HA H -4 4.461 4.040 0.421 1
1 7 . 2 1 1 A 2 2 SER CB C -4 63.389 63.311 0.078 1
1 8 . 2 1 1 A 2 2 SER C C -4 173.924 174.550 -0.626 1
1 9 . 2 1 1 A 3 3 HIS N N -3 120.998 115.025 5.973 1
1 10 . 2 1 1 A 3 3 HIS H H -3 8.769 7.786 0.983 1
1 11 . 2 1 1 A 3 3 HIS CA C -3 55.238 55.061 0.177 1
1 12 . 2 1 1 A 3 3 HIS HA H -3 4.703 4.836 -0.133 1
1 13 . 2 1 1 A 3 3 HIS CB C -3 28.916 29.598 -0.682 1
1 16 . 2 1 1 A 3 3 HIS C C -3 174.207 174.263 -0.056 1
1 17 . 2 1 1 A 4 4 MET N N -2 122.227 118.916 3.311 1
1 18 . 2 1 1 A 4 4 MET H H -2 8.518 7.872 0.646 1
1 19 . 2 1 1 A 4 4 MET CA C -2 55.003 54.912 0.091 1
1 20 . 2 1 1 A 4 4 MET HA H -2 4.420 4.884 -0.464 1
1 21 . 2 1 1 A 4 4 MET CB C -2 32.578 33.469 -0.891 1
1 31 . 2 1 1 A 4 4 MET C C -2 175.475 174.555 0.920 1
1 49 . 2 1 1 A 7 7 ALA N N 2 124.543 122.803 1.740 1
1 50 . 2 1 1 A 7 7 ALA H H 2 8.453 8.127 0.326 1
1 51 . 2 1 1 A 7 7 ALA CA C 2 53.203 54.500 -1.297 1
1 52 . 2 1 1 A 7 7 ALA HA H 2 4.211 4.066 0.145 1
1 56 . 2 1 1 A 7 7 ALA CB C 2 18.387 18.184 0.203 1
1 57 . 2 1 1 A 7 7 ALA C C 2 178.091 179.297 -1.206 1
1 58 . 2 1 1 A 8 8 ASP N N 3 118.618 118.526 0.092 1
1 59 . 2 1 1 A 8 8 ASP H H 3 8.064 7.764 0.300 1
1 60 . 2 1 1 A 8 8 ASP CA C 3 54.381 57.220 -2.839 1
1 61 . 2 1 1 A 8 8 ASP HA H 3 4.551 4.430 0.121 1
1 62 . 2 1 1 A 8 8 ASP CB C 3 40.446 40.601 -0.155 1
1 65 . 2 1 1 A 8 8 ASP C C 3 176.662 178.501 -1.839 1
1 66 . 2 1 1 A 9 9 LEU N N 4 123.427 121.248 2.179 1
1 67 . 2 1 1 A 9 9 LEU H H 4 8.202 7.886 0.316 1
1 68 . 2 1 1 A 9 9 LEU CA C 4 57.491 57.905 -0.414 1
1 69 . 2 1 1 A 9 9 LEU HA H 4 4.084 4.006 0.078 1
1 70 . 2 1 1 A 9 9 LEU CB C 4 41.745 41.611 0.134 1
1 80 . 2 1 1 A 9 9 LEU C C 4 178.873 178.692 0.181 1
1 81 . 2 1 1 A 10 10 VAL N N 5 119.385 119.116 0.269 1
1 82 . 2 1 1 A 10 10 VAL H H 5 8.186 8.275 -0.089 1
1 83 . 2 1 1 A 10 10 VAL CA C 5 66.686 66.672 0.014 1
1 84 . 2 1 1 A 10 10 VAL HA H 5 3.435 3.478 -0.043 1
1 85 . 2 1 1 A 10 10 VAL CB C 5 31.135 31.570 -0.435 1
1 95 . 2 1 1 A 10 10 VAL C C 5 177.408 178.132 -0.724 1
1 96 . 2 1 1 A 11 11 SER N N 6 115.027 115.291 -0.264 1
1 97 . 2 1 1 A 11 11 SER H H 6 8.252 8.022 0.230 1
1 98 . 2 1 1 A 11 11 SER CA C 6 61.229 61.602 -0.373 1
1 99 . 2 1 1 A 11 11 SER HA H 6 4.068 4.013 0.055 1
1 100 . 2 1 1 A 11 11 SER CB C 6 62.054 62.853 -0.799 1
1 103 . 2 1 1 A 11 11 SER C C 6 176.036 177.303 -1.267 1
1 104 . 2 1 1 A 12 12 SER N N 7 115.144 116.409 -1.265 1
1 105 . 2 1 1 A 12 12 SER H H 7 8.053 8.050 0.003 1
1 106 . 2 1 1 A 12 12 SER CA C 7 60.212 61.463 -1.251 1
1 107 . 2 1 1 A 12 12 SER HA H 7 4.309 3.998 0.311 1
1 108 . 2 1 1 A 12 12 SER CB C 7 62.720 62.842 -0.122 1
1 111 . 2 1 1 A 12 12 SER C C 7 176.540 176.461 0.079 1
1 112 . 2 1 1 A 13 13 CYS N N 8 118.211 119.003 -0.792 1
1 113 . 2 1 1 A 13 13 CYS H H 8 7.919 8.306 -0.387 1
1 114 . 2 1 1 A 13 13 CYS CA C 8 63.729 63.981 -0.252 1
1 115 . 2 1 1 A 13 13 CYS HA H 8 4.046 4.115 -0.069 1
1 116 . 2 1 1 A 13 13 CYS CB C 8 26.703 27.041 -0.338 1
1 119 . 2 1 1 A 13 13 CYS C C 8 175.645 176.968 -1.323 1
1 120 . 2 1 1 A 14 14 LYS N N 9 120.074 121.520 -1.446 1
1 121 . 2 1 1 A 14 14 LYS H H 9 8.632 8.028 0.604 1
1 122 . 2 1 1 A 14 14 LYS CA C 9 60.438 59.587 0.851 1
1 123 . 2 1 1 A 14 14 LYS HA H 9 3.668 3.981 -0.313 1
1 124 . 2 1 1 A 14 14 LYS CB C 9 31.655 32.041 -0.386 1
1 136 . 2 1 1 A 14 14 LYS C C 9 177.590 177.790 -0.200 1
1 137 . 2 1 1 A 15 15 ASP N N 10 117.611 119.495 -1.884 1
1 138 . 2 1 1 A 15 15 ASP H H 10 7.732 8.118 -0.386 1
1 139 . 2 1 1 A 15 15 ASP CA C 10 56.325 57.308 -0.983 1
1 140 . 2 1 1 A 15 15 ASP HA H 10 4.320 4.202 0.118 1
1 141 . 2 1 1 A 15 15 ASP CB C 10 40.092 41.603 -1.511 1
1 144 . 2 1 1 A 15 15 ASP C C 10 177.731 178.541 -0.810 1
1 145 . 2 1 1 A 16 16 LYS N N 11 117.878 118.920 -1.042 1
1 146 . 2 1 1 A 16 16 LYS H H 11 7.254 7.706 -0.452 1
1 147 . 2 1 1 A 16 16 LYS CA C 11 58.984 58.713 0.271 1
1 148 . 2 1 1 A 16 16 LYS HA H 11 3.662 3.551 0.111 1
1 149 . 2 1 1 A 16 16 LYS CB C 11 32.933 31.823 1.110 1
1 158 . 2 1 1 A 16 16 LYS C C 11 177.350 177.986 -0.636 1
1 159 . 2 1 1 A 17 17 LEU N N 12 115.652 121.540 -5.888 1
1 160 . 2 1 1 A 17 17 LEU H H 12 8.138 8.309 -0.171 1
1 161 . 2 1 1 A 17 17 LEU CA C 12 56.722 58.095 -1.373 1
1 162 . 2 1 1 A 17 17 LEU HA H 12 3.588 4.092 -0.504 1
1 163 . 2 1 1 A 17 17 LEU CB C 12 41.870 41.283 0.587 1
1 174 . 2 1 1 A 17 17 LEU C C 12 177.545 178.315 -0.770 1
1 175 . 2 1 1 A 18 18 ALA N N 13 116.045 120.571 -4.526 1
1 176 . 2 1 1 A 18 18 ALA H H 13 7.080 8.493 -1.413 1
1 177 . 2 1 1 A 18 18 ALA CA C 13 53.475 54.444 -0.969 1
1 178 . 2 1 1 A 18 18 ALA HA H 13 3.984 4.088 -0.104 1
1 182 . 2 1 1 A 18 18 ALA CB C 13 18.121 18.733 -0.612 1
1 183 . 2 1 1 A 18 18 ALA C C 13 178.298 179.519 -1.221 1
1 184 . 2 1 1 A 19 19 TYR N N 14 115.556 119.449 -3.893 1
1 185 . 2 1 1 A 19 19 TYR H H 14 7.675 7.587 0.088 1
1 186 . 2 1 1 A 19 19 TYR CA C 14 58.741 59.956 -1.215 1
1 187 . 2 1 1 A 19 19 TYR HA H 14 4.323 4.206 0.117 1
1 188 . 2 1 1 A 19 19 TYR CB C 14 38.610 39.137 -0.527 1
1 193 . 2 1 1 A 19 19 TYR C C 14 176.007 175.866 0.141 1
1 194 . 2 1 1 A 20 20 PHE N N 15 118.275 119.342 -1.067 1
1 195 . 2 1 1 A 20 20 PHE H H 15 7.406 7.621 -0.215 1
1 196 . 2 1 1 A 20 20 PHE CA C 15 56.542 56.870 -0.328 1
1 197 . 2 1 1 A 20 20 PHE HA H 15 4.652 4.832 -0.180 1
1 198 . 2 1 1 A 20 20 PHE CB C 15 38.561 40.568 -2.007 1
1 202 . 2 1 1 A 20 20 PHE C C 15 176.160 176.030 0.130 1
1 203 . 2 1 1 A 21 21 ARG N N 16 119.140 124.164 -5.024 1
1 204 . 2 1 1 A 21 21 ARG H H 16 8.714 8.350 0.364 1
1 205 . 2 1 1 A 21 21 ARG CA C 16 54.474 56.092 -1.618 1
1 206 . 2 1 1 A 21 21 ARG HA H 16 4.747 4.271 0.476 1
1 207 . 2 1 1 A 21 21 ARG CB C 16 30.097 31.808 -1.711 1
1 223 . 2 1 1 A 21 21 ARG C C 16 177.095 177.629 -0.534 1
1 224 . 2 1 1 A 22 22 ILE N N 17 120.734 124.939 -4.205 1
1 225 . 2 1 1 A 22 22 ILE H H 17 8.708 8.832 -0.124 1
1 226 . 2 1 1 A 22 22 ILE CA C 17 65.114 64.846 0.268 1
1 227 . 2 1 1 A 22 22 ILE HA H 17 3.740 3.726 0.014 1
1 228 . 2 1 1 A 22 22 ILE CB C 17 36.768 37.715 -0.947 1
1 241 . 2 1 1 A 22 22 ILE C C 17 176.639 177.905 -1.266 1
1 242 . 2 1 1 A 23 23 LYS N N 18 118.184 121.403 -3.219 1
1 243 . 2 1 1 A 23 23 LYS H H 18 8.267 8.205 0.062 1
1 244 . 2 1 1 A 23 23 LYS CA C 18 59.978 59.975 0.003 1
1 245 . 2 1 1 A 23 23 LYS HA H 18 3.909 3.904 0.005 1
1 246 . 2 1 1 A 23 23 LYS CB C 18 32.191 32.323 -0.132 1
1 258 . 2 1 1 A 23 23 LYS C C 18 178.185 178.772 -0.587 1
1 259 . 2 1 1 A 24 24 GLU N N 19 117.651 119.474 -1.823 1
1 260 . 2 1 1 A 24 24 GLU H H 19 7.198 8.008 -0.810 1
1 261 . 2 1 1 A 24 24 GLU CA C 19 60.601 59.335 1.266 1
1 262 . 2 1 1 A 24 24 GLU HA H 19 4.056 4.121 -0.065 1
1 263 . 2 1 1 A 24 24 GLU CB C 19 28.859 29.593 -0.734 1
1 269 . 2 1 1 A 24 24 GLU C C 19 178.542 179.382 -0.840 1
1 270 . 2 1 1 A 25 25 LEU N N 20 119.236 120.398 -1.162 1
1 271 . 2 1 1 A 25 25 LEU H H 20 7.980 8.363 -0.383 1
1 272 . 2 1 1 A 25 25 LEU CA C 20 57.812 57.874 -0.062 1
1 273 . 2 1 1 A 25 25 LEU HA H 20 3.947 4.051 -0.104 1
1 274 . 2 1 1 A 25 25 LEU CB C 20 42.172 40.621 1.551 1
1 281 . 2 1 1 A 25 25 LEU C C 20 178.081 179.083 -1.002 1
1 282 . 2 1 1 A 26 26 LYS N N 21 117.457 121.198 -3.741 1
1 283 . 2 1 1 A 26 26 LYS H H 21 8.770 8.442 0.328 1
1 284 . 2 1 1 A 26 26 LYS CA C 21 60.741 59.965 0.776 1
1 285 . 2 1 1 A 26 26 LYS HA H 21 3.806 3.981 -0.175 1
1 286 . 2 1 1 A 26 26 LYS CB C 21 31.876 32.160 -0.284 1
1 287 . 2 1 1 A 26 26 LYS C C 21 177.659 178.612 -0.953 1
1 288 . 2 1 1 A 27 27 ASP N N 22 119.023 119.965 -0.942 1
1 289 . 2 1 1 A 27 27 ASP H H 22 7.671 8.029 -0.358 1
1 290 . 2 1 1 A 27 27 ASP CA C 22 56.971 57.271 -0.300 1
1 291 . 2 1 1 A 27 27 ASP HA H 22 4.409 4.465 -0.056 1
1 292 . 2 1 1 A 27 27 ASP CB C 22 40.196 40.645 -0.449 1
1 295 . 2 1 1 A 27 27 ASP C C 22 180.796 178.519 2.277 1
1 296 . 2 1 1 A 28 28 ILE N N 23 119.318 120.248 -0.930 1
1 297 . 2 1 1 A 28 28 ILE H H 23 8.039 7.750 0.289 1
1 298 . 2 1 1 A 28 28 ILE CA C 23 65.328 65.614 -0.286 1
1 299 . 2 1 1 A 28 28 ILE HA H 23 3.601 3.684 -0.083 1
1 300 . 2 1 1 A 28 28 ILE CB C 23 37.309 38.165 -0.856 1
1 313 . 2 1 1 A 28 28 ILE C C 23 177.251 178.430 -1.179 1
1 314 . 2 1 1 A 29 29 LEU N N 24 120.356 121.530 -1.174 1
1 315 . 2 1 1 A 29 29 LEU H H 24 8.220 8.611 -0.391 1
1 316 . 2 1 1 A 29 29 LEU CA C 24 58.535 58.098 0.437 1
1 317 . 2 1 1 A 29 29 LEU HA H 24 3.824 4.075 -0.251 1
1 318 . 2 1 1 A 29 29 LEU CB C 24 39.478 41.368 -1.890 1
1 326 . 2 1 1 A 29 29 LEU C C 24 178.599 178.309 0.290 1
1 327 . 2 1 1 A 30 30 ASN N N 25 117.446 117.328 0.118 1
1 328 . 2 1 1 A 30 30 ASN H H 25 8.687 8.437 0.250 1
1 329 . 2 1 1 A 30 30 ASN CA C 25 56.241 57.141 -0.900 1
1 330 . 2 1 1 A 30 30 ASN HA H 25 4.520 4.382 0.138 1
1 331 . 2 1 1 A 30 30 ASN CB C 25 38.899 38.885 0.014 1
1 338 . 2 1 1 A 30 30 ASN C C 25 178.958 177.613 1.345 1
1 339 . 2 1 1 A 31 31 GLN N N 26 119.946 117.739 2.207 1
1 340 . 2 1 1 A 31 31 GLN H H 26 8.184 7.657 0.527 1
1 341 . 2 1 1 A 31 31 GLN CA C 26 58.779 58.572 0.207 1
1 342 . 2 1 1 A 31 31 GLN HA H 26 4.055 4.204 -0.149 1
1 343 . 2 1 1 A 31 31 GLN CB C 26 29.109 28.525 0.584 1
1 353 . 2 1 1 A 31 31 GLN C C 26 177.586 179.220 -1.634 1
1 354 . 2 1 1 A 32 32 LEU N N 27 116.979 117.952 -0.973 1
1 355 . 2 1 1 A 32 32 LEU H H 27 7.893 7.749 0.144 1
1 356 . 2 1 1 A 32 32 LEU CA C 27 54.393 56.091 -1.698 1
1 357 . 2 1 1 A 32 32 LEU HA H 27 4.240 4.169 0.071 1
1 358 . 2 1 1 A 32 32 LEU CB C 27 42.566 42.611 -0.045 1
1 369 . 2 1 1 A 32 32 LEU C C 27 175.693 177.212 -1.519 1
1 370 . 2 1 1 A 33 33 GLY N N 28 108.299 106.381 1.918 1
1 371 . 2 1 1 A 33 33 GLY H H 28 7.834 7.874 -0.040 1
1 372 . 2 1 1 A 33 33 GLY CA C 28 45.707 46.433 -0.726 1
1 373 . 2 1 1 A 33 33 GLY HA2 H 28 3.952 3.953 -0.001 1
1 374 . 2 1 1 A 33 33 GLY HA3 H 28 3.952 3.954 -0.002 1
1 375 . 2 1 1 A 33 33 GLY C C 28 174.317 174.324 -0.007 1
1 376 . 2 1 1 A 34 34 LEU N N 29 120.833 121.877 -1.044 1
1 377 . 2 1 1 A 34 34 LEU H H 29 7.986 7.795 0.191 1
1 378 . 2 1 1 A 34 34 LEU CA C 29 51.600 51.966 -0.366 1
1 379 . 2 1 1 A 34 34 LEU HA H 29 4.760 4.777 -0.017 1
1 380 . 2 1 1 A 34 34 LEU CB C 29 43.531 42.971 0.560 1
1 392 . 2 1 1 A 35 35 PRO CA C 30 62.741 62.696 0.045 1
1 393 . 2 1 1 A 35 35 PRO HA H 30 4.365 4.526 -0.161 1
1 394 . 2 1 1 A 35 35 PRO CB C 30 31.856 32.594 -0.738 1
1 402 . 2 1 1 A 35 35 PRO C C 30 177.334 176.644 0.690 1
1 403 . 2 1 1 A 36 36 LYS N N 31 117.589 116.583 1.006 1
1 404 . 2 1 1 A 36 36 LYS H H 31 8.380 8.666 -0.286 1
1 405 . 2 1 1 A 36 36 LYS CA C 31 55.569 58.844 -3.275 1
1 406 . 2 1 1 A 36 36 LYS HA H 31 4.288 4.031 0.257 1
1 407 . 2 1 1 A 36 36 LYS CB C 31 33.225 30.319 2.906 1
1 417 . 2 1 1 A 36 36 LYS C C 31 174.406 175.181 -0.775 1
1 418 . 2 1 1 A 37 37 GLN N N 32 118.260 113.462 4.798 1
1 419 . 2 1 1 A 37 37 GLN H H 32 7.698 7.782 -0.084 1
1 420 . 2 1 1 A 37 37 GLN CA C 32 55.716 54.553 1.163 1
1 421 . 2 1 1 A 37 37 GLN HA H 32 4.392 4.603 -0.211 1
1 422 . 2 1 1 A 37 37 GLN CB C 32 28.251 30.665 -2.414 1
1 432 . 2 1 1 A 37 37 GLN C C 32 175.122 174.345 0.777 1
1 433 . 2 1 1 A 38 38 GLY N N 33 109.855 106.753 3.102 1
1 434 . 2 1 1 A 38 38 GLY H H 33 8.449 8.510 -0.061 1
1 435 . 2 1 1 A 38 38 GLY CA C 33 43.315 45.581 -2.266 1
1 436 . 2 1 1 A 38 38 GLY HA2 H 33 4.600 4.203 0.397 1
1 437 . 2 1 1 A 38 38 GLY HA3 H 33 3.803 4.204 -0.401 1
1 438 . 2 1 1 A 38 38 GLY C C 33 173.537 173.864 -0.327 1
1 439 . 2 1 1 A 39 39 LYS N N 34 117.627 120.646 -3.019 1
1 440 . 2 1 1 A 39 39 LYS H H 34 8.649 8.061 0.588 1
1 441 . 2 1 1 A 39 39 LYS CA C 34 54.916 55.608 -0.692 1
1 442 . 2 1 1 A 39 39 LYS HA H 34 4.395 4.397 -0.002 1
1 443 . 2 1 1 A 39 39 LYS CB C 34 32.893 33.481 -0.588 1
1 455 . 2 1 1 A 39 39 LYS C C 34 176.803 178.044 -1.241 1
1 456 . 2 1 1 A 40 40 LYS N N 35 121.705 124.315 -2.610 1
1 457 . 2 1 1 A 40 40 LYS H H 35 8.920 9.029 -0.109 1
1 458 . 2 1 1 A 40 40 LYS CA C 35 61.574 60.377 1.197 1
1 459 . 2 1 1 A 40 40 LYS HA H 35 3.599 3.910 -0.311 1
1 460 . 2 1 1 A 40 40 LYS CB C 35 31.924 32.147 -0.223 1
1 472 . 2 1 1 A 40 40 LYS C C 35 177.366 178.302 -0.936 1
1 473 . 2 1 1 A 41 41 GLN N N 36 114.634 118.722 -4.088 1
1 474 . 2 1 1 A 41 41 GLN H H 36 9.017 7.889 1.128 1
1 475 . 2 1 1 A 41 41 GLN CA C 36 57.636 58.713 -1.077 1
1 476 . 2 1 1 A 41 41 GLN HA H 36 3.731 4.054 -0.323 1
1 477 . 2 1 1 A 41 41 GLN CB C 36 27.865 28.444 -0.579 1
1 487 . 2 1 1 A 41 41 GLN C C 36 176.872 178.367 -1.495 1
1 488 . 2 1 1 A 42 42 ASP N N 37 115.980 120.087 -4.107 1
1 489 . 2 1 1 A 42 42 ASP H H 37 7.047 8.170 -1.123 1
1 490 . 2 1 1 A 42 42 ASP CA C 37 56.593 57.430 -0.837 1
1 491 . 2 1 1 A 42 42 ASP HA H 37 4.297 4.333 -0.036 1
1 492 . 2 1 1 A 42 42 ASP CB C 37 39.839 40.581 -0.742 1
1 495 . 2 1 1 A 42 42 ASP C C 37 178.454 178.933 -0.479 1
1 496 . 2 1 1 A 43 43 LEU N N 38 119.074 120.550 -1.476 1
1 497 . 2 1 1 A 43 43 LEU H H 38 7.725 8.465 -0.740 1
1 498 . 2 1 1 A 43 43 LEU CA C 38 57.713 58.017 -0.304 1
1 499 . 2 1 1 A 43 43 LEU HA H 38 3.787 3.971 -0.184 1
1 500 . 2 1 1 A 43 43 LEU CB C 38 40.214 42.252 -2.038 1
1 513 . 2 1 1 A 43 43 LEU C C 38 177.872 179.146 -1.274 1
1 514 . 2 1 1 A 44 44 ILE N N 39 118.343 118.451 -0.108 1
1 515 . 2 1 1 A 44 44 ILE H H 39 7.867 8.137 -0.270 1
1 516 . 2 1 1 A 44 44 ILE CA C 39 66.090 65.782 0.308 1
1 517 . 2 1 1 A 44 44 ILE HA H 39 3.321 3.499 -0.178 1
1 518 . 2 1 1 A 44 44 ILE CB C 39 38.013 37.750 0.263 1
1 528 . 2 1 1 A 44 44 ILE C C 39 177.711 177.810 -0.099 1
1 529 . 2 1 1 A 45 45 ASP N N 40 118.533 120.035 -1.502 1
1 530 . 2 1 1 A 45 45 ASP H H 40 8.503 8.775 -0.272 1
1 531 . 2 1 1 A 45 45 ASP CA C 40 57.009 57.405 -0.396 1
1 532 . 2 1 1 A 45 45 ASP HA H 40 4.272 4.461 -0.189 1
1 533 . 2 1 1 A 45 45 ASP CB C 40 39.419 40.366 -0.947 1
1 536 . 2 1 1 A 45 45 ASP C C 40 178.392 179.171 -0.779 1
1 537 . 2 1 1 A 46 46 ARG N N 41 120.911 121.080 -0.169 1
1 538 . 2 1 1 A 46 46 ARG H H 41 7.717 7.812 -0.095 1
1 539 . 2 1 1 A 46 46 ARG CA C 41 59.048 59.652 -0.604 1
1 540 . 2 1 1 A 46 46 ARG HA H 41 3.991 4.040 -0.049 1
1 541 . 2 1 1 A 46 46 ARG CB C 41 29.817 30.585 -0.768 1
1 550 . 2 1 1 A 46 46 ARG C C 41 177.537 178.479 -0.942 1
1 551 . 2 1 1 A 47 47 VAL N N 42 117.438 119.370 -1.932 1
1 552 . 2 1 1 A 47 47 VAL H H 42 7.445 8.225 -0.780 1
1 553 . 2 1 1 A 47 47 VAL CA C 42 65.881 66.398 -0.517 1
1 554 . 2 1 1 A 47 47 VAL HA H 42 3.442 3.692 -0.250 1
1 555 . 2 1 1 A 47 47 VAL CB C 42 30.931 31.813 -0.882 1
1 565 . 2 1 1 A 47 47 VAL C C 42 177.671 178.241 -0.570 1
1 566 . 2 1 1 A 48 48 LEU N N 43 117.085 117.582 -0.497 1
1 567 . 2 1 1 A 48 48 LEU H H 43 8.466 8.086 0.380 1
1 568 . 2 1 1 A 48 48 LEU CA C 43 57.248 57.771 -0.523 1
1 569 . 2 1 1 A 48 48 LEU HA H 43 3.847 3.977 -0.130 1
1 570 . 2 1 1 A 48 48 LEU CB C 43 40.720 41.187 -0.467 1
1 583 . 2 1 1 A 48 48 LEU C C 43 179.581 179.648 -0.067 1
1 584 . 2 1 1 A 49 49 ALA N N 44 120.479 122.025 -1.546 1
1 585 . 2 1 1 A 49 49 ALA H H 44 7.953 8.017 -0.064 1
1 586 . 2 1 1 A 49 49 ALA CA C 44 53.997 54.654 -0.657 1
1 587 . 2 1 1 A 49 49 ALA HA H 44 4.123 4.117 0.006 1
1 591 . 2 1 1 A 49 49 ALA CB C 44 17.631 18.107 -0.476 1
1 592 . 2 1 1 A 49 49 ALA C C 44 178.926 179.485 -0.559 1
1 593 . 2 1 1 A 50 50 LEU N N 45 115.306 120.391 -5.085 1
1 594 . 2 1 1 A 50 50 LEU H H 45 7.428 7.755 -0.327 1
1 595 . 2 1 1 A 50 50 LEU CA C 45 55.652 57.671 -2.019 1
1 596 . 2 1 1 A 50 50 LEU HA H 45 4.219 4.154 0.065 1
1 597 . 2 1 1 A 50 50 LEU CB C 45 41.846 41.864 -0.018 1
1 610 . 2 1 1 A 50 50 LEU C C 45 177.840 178.772 -0.932 1
1 611 . 2 1 1 A 51 51 LEU N N 46 115.880 118.689 -2.809 1
1 612 . 2 1 1 A 51 51 LEU H H 46 7.642 7.950 -0.308 1
1 613 . 2 1 1 A 51 51 LEU CA C 46 54.693 56.311 -1.618 1
1 614 . 2 1 1 A 51 51 LEU HA H 46 4.265 4.228 0.037 1
1 615 . 2 1 1 A 51 51 LEU CB C 46 42.040 41.937 0.103 1
1 625 . 2 1 1 A 51 51 LEU C C 46 176.015 177.543 -1.528 1
1 626 . 2 1 1 A 52 52 THR N N 47 109.201 112.884 -3.683 1
1 627 . 2 1 1 A 52 52 THR H H 47 7.516 7.512 0.004 1
1 628 . 2 1 1 A 52 52 THR CA C 47 60.834 64.614 -3.780 1
1 629 . 2 1 1 A 52 52 THR HA H 47 4.348 4.312 0.036 1
1 630 . 2 1 1 A 52 52 THR CB C 47 69.704 69.413 0.291 1
1 636 . 2 1 1 A 52 52 THR C C 47 173.733 175.344 -1.611 1
1 637 . 2 1 1 A 53 53 ASP N N 48 122.188 118.843 3.345 1
1 638 . 2 1 1 A 53 53 ASP H H 48 8.280 8.248 0.032 1
1 639 . 2 1 1 A 53 53 ASP CA C 48 54.185 56.285 -2.100 1
1 640 . 2 1 1 A 53 53 ASP HA H 48 4.699 4.546 0.153 1
1 641 . 2 1 1 A 53 53 ASP CB C 48 40.749 40.460 0.289 1
1 645 . 2 1 1 A 53 53 ASP C C 48 176.000 176.793 -0.793 1
1 646 . 2 1 1 A 54 54 GLU N N 49 121.966 118.844 3.122 1
1 647 . 2 1 1 A 54 54 GLU H H 49 8.588 7.816 0.772 1
1 648 . 2 1 1 A 54 54 GLU CA C 49 56.604 55.624 0.980 1
1 649 . 2 1 1 A 54 54 GLU HA H 49 4.229 4.732 -0.503 1
1 650 . 2 1 1 A 54 54 GLU CB C 49 29.642 30.854 -1.212 1
1 656 . 2 1 1 A 54 54 GLU C C 49 176.589 176.872 -0.283 1
1 657 . 2 1 1 A 55 55 GLN N N 50 120.727 118.711 2.016 1
1 658 . 2 1 1 A 55 55 GLN H H 50 8.642 7.871 0.771 1
1 659 . 2 1 1 A 55 55 GLN CA C 50 56.165 55.361 0.804 1
1 660 . 2 1 1 A 55 55 GLN HA H 50 4.226 4.226 0.000 1
1 661 . 2 1 1 A 55 55 GLN CB C 50 28.555 28.927 -0.372 1
1 671 . 2 1 1 A 55 55 GLN C C 50 176.554 176.818 -0.264 1
1 672 . 2 1 1 A 56 56 GLY N N 51 109.357 109.536 -0.179 1
1 673 . 2 1 1 A 56 56 GLY H H 51 8.519 8.168 0.351 1
1 674 . 2 1 1 A 56 56 GLY CA C 51 45.276 46.810 -1.534 1
1 675 . 2 1 1 A 56 56 GLY HA2 H 51 3.951 3.988 -0.037 1
1 676 . 2 1 1 A 56 56 GLY HA3 H 51 3.815 4.144 -0.329 1
1 677 . 2 1 1 A 56 56 GLY C C 51 174.146 175.315 -1.169 1
1 678 . 2 1 1 A 57 57 GLN N N 52 119.207 118.549 0.658 1
1 679 . 2 1 1 A 57 57 GLN H H 52 8.263 8.299 -0.036 1
1 680 . 2 1 1 A 57 57 GLN CA C 52 55.650 55.588 0.062 1
1 681 . 2 1 1 A 57 57 GLN HA H 52 4.217 4.501 -0.284 1
1 682 . 2 1 1 A 57 57 GLN CB C 52 28.723 29.256 -0.533 1
1 692 . 2 1 1 A 57 57 GLN C C 52 175.872 176.447 -0.575 1
1 693 . 2 1 1 A 58 58 ARG N N 53 120.525 118.670 1.855 1
1 694 . 2 1 1 A 58 58 ARG H H 53 8.279 8.007 0.272 1
1 695 . 2 1 1 A 58 58 ARG CA C 53 55.854 56.683 -0.829 1
1 696 . 2 1 1 A 58 58 ARG HA H 53 4.204 4.592 -0.388 1
1 697 . 2 1 1 A 58 58 ARG CB C 53 29.944 33.491 -3.547 1
1 708 . 2 1 1 A 58 58 ARG C C 53 175.819 176.436 -0.617 1
1 709 . 2 1 1 A 59 59 HIS N N 54 118.905 117.248 1.657 1
1 710 . 2 1 1 A 59 59 HIS H H 54 8.397 7.844 0.553 1
1 711 . 2 1 1 A 59 59 HIS CA C 54 55.130 55.568 -0.438 1
1 712 . 2 1 1 A 59 59 HIS HA H 54 4.554 4.786 -0.232 1
1 713 . 2 1 1 A 59 59 HIS CB C 54 28.953 30.338 -1.385 1
1 716 . 2 1 1 A 59 59 HIS C C 54 174.248 173.390 0.858 1
1 717 . 2 1 1 A 60 60 HIS N N 55 119.527 116.776 2.751 1
1 718 . 2 1 1 A 60 60 HIS H H 55 8.493 8.150 0.343 1
1 719 . 2 1 1 A 60 60 HIS CA C 55 55.589 55.033 0.556 1
1 720 . 2 1 1 A 60 60 HIS HA H 55 4.553 4.119 0.434 1
1 721 . 2 1 1 A 60 60 HIS CB C 55 28.913 30.608 -1.695 1
1 724 . 2 1 1 A 60 60 HIS C C 55 174.759 175.115 -0.356 1
1 725 . 2 1 1 A 61 61 GLY N N 56 110.215 106.528 3.687 1
1 726 . 2 1 1 A 61 61 GLY H H 56 8.604 7.741 0.863 1
1 727 . 2 1 1 A 61 61 GLY CA C 56 44.977 44.801 0.176 1
1 728 . 2 1 1 A 61 61 GLY HA2 H 56 3.958 3.647 0.311 1
1 729 . 2 1 1 A 61 61 GLY HA3 H 56 3.833 3.671 0.162 1
1 730 . 2 1 1 A 61 61 GLY C C 56 173.752 174.538 -0.786 1
1 731 . 2 1 1 A 62 62 TRP N N 57 120.700 117.765 2.935 1
1 732 . 2 1 1 A 62 62 TRP H H 57 8.175 7.121 1.054 1
1 733 . 2 1 1 A 62 62 TRP CA C 57 56.935 57.535 -0.600 1
1 734 . 2 1 1 A 62 62 TRP HA H 57 4.658 4.841 -0.183 1
1 735 . 2 1 1 A 62 62 TRP CB C 57 29.018 31.229 -2.211 1
1 750 . 2 1 1 A 62 62 TRP C C 57 176.442 177.209 -0.767 1
1 751 . 2 1 1 A 63 63 GLY N N 58 110.195 108.615 1.580 1
1 752 . 2 1 1 A 63 63 GLY H H 58 8.452 8.330 0.122 1
1 753 . 2 1 1 A 63 63 GLY CA C 58 45.052 46.643 -1.591 1
1 754 . 2 1 1 A 63 63 GLY HA2 H 58 3.925 4.025 -0.100 1
1 755 . 2 1 1 A 63 63 GLY HA3 H 58 3.833 4.075 -0.242 1
1 756 . 2 1 1 A 63 63 GLY C C 58 173.738 174.713 -0.975 1
1 757 . 2 1 1 A 64 64 ARG N N 59 120.374 120.327 0.047 1
1 758 . 2 1 1 A 64 64 ARG H H 59 8.136 8.193 -0.057 1
1 759 . 2 1 1 A 64 64 ARG CA C 59 55.779 57.734 -1.955 1
1 760 . 2 1 1 A 64 64 ARG HA H 59 4.287 4.184 0.103 1
1 761 . 2 1 1 A 64 64 ARG CB C 59 30.244 30.829 -0.585 1
1 772 . 2 1 1 A 64 64 ARG C C 59 176.269 176.725 -0.456 1
1 773 . 2 1 1 A 65 65 LYS N N 60 121.590 114.990 6.600 1
1 774 . 2 1 1 A 65 65 LYS H H 60 8.483 7.638 0.845 1
1 775 . 2 1 1 A 65 65 LYS CA C 60 56.435 55.506 0.929 1
1 776 . 2 1 1 A 65 65 LYS HA H 60 4.226 4.676 -0.450 1
1 777 . 2 1 1 A 65 65 LYS CB C 60 32.259 32.273 -0.014 1
1 783 . 2 1 1 A 65 65 LYS C C 60 176.075 176.093 -0.018 1
1 784 . 2 1 1 A 66 66 ASN N N 61 118.654 118.933 -0.279 1
1 785 . 2 1 1 A 66 66 ASN H H 61 8.413 8.361 0.052 1
1 786 . 2 1 1 A 66 66 ASN CA C 61 53.042 51.877 1.165 1
1 787 . 2 1 1 A 66 66 ASN HA H 61 4.651 5.011 -0.360 1
1 788 . 2 1 1 A 66 66 ASN CB C 61 38.348 39.656 -1.308 1
1 795 . 2 1 1 A 66 66 ASN C C 61 174.530 175.368 -0.838 1
1 796 . 2 1 1 A 67 67 SER N N 62 115.494 112.183 3.311 1
1 797 . 2 1 1 A 67 67 SER H H 62 8.289 8.419 -0.130 1
1 798 . 2 1 1 A 67 67 SER CA C 62 58.090 59.338 -1.248 1
1 799 . 2 1 1 A 67 67 SER HA H 62 4.294 4.324 -0.030 1
1 800 . 2 1 1 A 67 67 SER CB C 62 63.205 61.092 2.113 1
1 803 . 2 1 1 A 67 67 SER C C 62 173.894 174.046 -0.152 1
1 804 . 2 1 1 A 68 68 LEU N N 63 123.552 116.328 7.224 1
1 805 . 2 1 1 A 68 68 LEU H H 63 8.063 7.925 0.138 1
1 806 . 2 1 1 A 68 68 LEU CA C 63 54.124 54.096 0.028 1
1 807 . 2 1 1 A 68 68 LEU HA H 63 4.495 4.679 -0.184 1
1 808 . 2 1 1 A 68 68 LEU CB C 63 42.447 42.917 -0.470 1
1 821 . 2 1 1 A 68 68 LEU C C 63 176.587 175.852 0.735 1
1 822 . 2 1 1 A 69 69 THR N N 64 112.637 114.024 -1.387 1
1 823 . 2 1 1 A 69 69 THR H H 64 7.797 7.501 0.296 1
1 824 . 2 1 1 A 69 69 THR CA C 64 60.021 61.025 -1.004 1
1 825 . 2 1 1 A 69 69 THR HA H 64 4.490 4.894 -0.404 1
1 826 . 2 1 1 A 69 69 THR CB C 64 70.896 71.845 -0.949 1
1 832 . 2 1 1 A 69 69 THR C C 64 174.998 175.545 -0.547 1
1 833 . 2 1 1 A 70 70 LYS N N 65 120.128 123.358 -3.230 1
1 834 . 2 1 1 A 70 70 LYS H H 65 9.059 8.937 0.122 1
1 835 . 2 1 1 A 70 70 LYS CA C 65 59.374 59.057 0.317 1
1 836 . 2 1 1 A 70 70 LYS HA H 65 3.941 4.039 -0.098 1
1 837 . 2 1 1 A 70 70 LYS CB C 65 31.830 31.845 -0.015 1
1 843 . 2 1 1 A 70 70 LYS C C 65 177.539 178.500 -0.961 1
1 844 . 2 1 1 A 71 71 GLU N N 66 117.667 119.539 -1.872 1
1 845 . 2 1 1 A 71 71 GLU H H 66 8.699 8.670 0.029 1
1 846 . 2 1 1 A 71 71 GLU CA C 66 60.307 59.167 1.140 1
1 847 . 2 1 1 A 71 71 GLU HA H 66 3.812 4.106 -0.294 1
1 848 . 2 1 1 A 71 71 GLU CB C 66 27.903 29.911 -2.008 1
1 855 . 2 1 1 A 71 71 GLU C C 66 178.499 179.080 -0.581 1
1 856 . 2 1 1 A 72 72 ALA N N 67 123.914 122.223 1.691 1
1 857 . 2 1 1 A 72 72 ALA H H 67 7.991 7.544 0.447 1
1 858 . 2 1 1 A 72 72 ALA CA C 67 54.601 54.812 -0.211 1
1 859 . 2 1 1 A 72 72 ALA HA H 67 4.116 4.133 -0.017 1
1 863 . 2 1 1 A 72 72 ALA CB C 67 18.288 19.007 -0.719 1
1 864 . 2 1 1 A 72 72 ALA C C 67 178.721 179.352 -0.631 1
1 865 . 2 1 1 A 73 73 VAL N N 68 119.435 118.240 1.195 1
1 866 . 2 1 1 A 73 73 VAL H H 68 8.045 8.042 0.003 1
1 867 . 2 1 1 A 73 73 VAL CA C 68 66.211 66.586 -0.375 1
1 868 . 2 1 1 A 73 73 VAL HA H 68 3.470 3.577 -0.107 1
1 869 . 2 1 1 A 73 73 VAL CB C 68 31.103 31.552 -0.449 1
1 879 . 2 1 1 A 73 73 VAL C C 68 177.001 178.459 -1.458 1
1 880 . 2 1 1 A 74 74 ALA N N 69 120.667 121.481 -0.814 1
1 881 . 2 1 1 A 74 74 ALA H H 69 8.407 8.273 0.134 1
1 882 . 2 1 1 A 74 74 ALA CA C 69 54.687 55.075 -0.388 1
1 883 . 2 1 1 A 74 74 ALA HA H 69 3.981 4.153 -0.172 1
1 887 . 2 1 1 A 74 74 ALA CB C 69 18.048 18.215 -0.167 1
1 888 . 2 1 1 A 74 74 ALA C C 69 178.865 179.731 -0.866 1
1 889 . 2 1 1 A 75 75 LYS N N 70 118.628 118.164 0.464 1
1 890 . 2 1 1 A 75 75 LYS H H 70 7.930 7.927 0.003 1
1 891 . 2 1 1 A 75 75 LYS CA C 70 58.914 59.790 -0.876 1
1 892 . 2 1 1 A 75 75 LYS HA H 70 4.105 4.068 0.037 1
1 893 . 2 1 1 A 75 75 LYS CB C 70 31.806 32.347 -0.541 1
1 903 . 2 1 1 A 75 75 LYS C C 70 177.409 179.139 -1.730 1
1 904 . 2 1 1 A 76 76 ILE N N 71 120.231 119.940 0.291 1
1 905 . 2 1 1 A 76 76 ILE H H 71 7.478 7.834 -0.356 1
1 906 . 2 1 1 A 76 76 ILE CA C 71 64.835 64.777 0.058 1
1 907 . 2 1 1 A 76 76 ILE HA H 71 3.973 3.799 0.174 1
1 908 . 2 1 1 A 76 76 ILE CB C 71 37.788 37.276 0.512 1
1 921 . 2 1 1 A 76 76 ILE C C 71 179.734 178.244 1.490 1
1 922 . 2 1 1 A 77 77 VAL N N 72 122.505 120.423 2.082 1
1 923 . 2 1 1 A 77 77 VAL H H 72 8.325 8.165 0.160 1
1 924 . 2 1 1 A 77 77 VAL CA C 72 67.425 66.777 0.648 1
1 925 . 2 1 1 A 77 77 VAL HA H 72 3.581 4.070 -0.489 1
1 926 . 2 1 1 A 77 77 VAL CB C 72 30.885 31.639 -0.754 1
1 936 . 2 1 1 A 77 77 VAL C C 72 176.939 177.995 -1.056 1
1 937 . 2 1 1 A 78 78 ASP N N 73 120.524 120.425 0.099 1
1 938 . 2 1 1 A 78 78 ASP H H 73 8.798 8.228 0.570 1
1 939 . 2 1 1 A 78 78 ASP CA C 73 58.163 56.907 1.256 1
1 940 . 2 1 1 A 78 78 ASP HA H 73 4.392 4.546 -0.154 1
1 941 . 2 1 1 A 78 78 ASP CB C 73 41.459 40.988 0.471 1
1 945 . 2 1 1 A 78 78 ASP C C 73 178.122 178.532 -0.410 1
1 946 . 2 1 1 A 79 79 ASP N N 74 119.762 120.013 -0.251 1
1 947 . 2 1 1 A 79 79 ASP H H 74 9.318 8.175 1.143 1
1 948 . 2 1 1 A 79 79 ASP CA C 74 57.122 57.273 -0.151 1
1 949 . 2 1 1 A 79 79 ASP HA H 74 4.405 4.382 0.023 1
1 950 . 2 1 1 A 79 79 ASP CB C 74 39.850 40.248 -0.398 1
1 954 . 2 1 1 A 79 79 ASP C C 74 178.921 178.682 0.239 1
1 955 . 2 1 1 A 80 80 THR N N 75 117.347 116.419 0.928 1
1 956 . 2 1 1 A 80 80 THR H H 75 8.084 8.050 0.034 1
1 957 . 2 1 1 A 80 80 THR CA C 75 67.055 66.233 0.822 1
1 958 . 2 1 1 A 80 80 THR HA H 75 3.846 3.885 -0.039 1
1 959 . 2 1 1 A 80 80 THR CB C 75 67.692 68.321 -0.629 1
1 965 . 2 1 1 A 80 80 THR C C 75 175.367 175.964 -0.597 1
1 966 . 2 1 1 A 81 81 TYR N N 76 123.735 122.442 1.293 1
1 967 . 2 1 1 A 81 81 TYR H H 76 8.830 7.992 0.838 1
1 968 . 2 1 1 A 81 81 TYR CA C 76 61.712 60.987 0.725 1
1 969 . 2 1 1 A 81 81 TYR HA H 76 4.269 4.374 -0.105 1
1 970 . 2 1 1 A 81 81 TYR CB C 76 38.639 38.893 -0.254 1
1 974 . 2 1 1 A 81 81 TYR C C 76 176.700 178.177 -1.477 1
1 975 . 2 1 1 A 82 82 ARG N N 77 118.508 118.995 -0.487 1
1 976 . 2 1 1 A 82 82 ARG H H 77 8.755 8.529 0.226 1
1 977 . 2 1 1 A 82 82 ARG CA C 77 58.776 58.908 -0.132 1
1 978 . 2 1 1 A 82 82 ARG HA H 77 3.892 4.008 -0.116 1
1 979 . 2 1 1 A 82 82 ARG CB C 77 29.459 29.957 -0.498 1
1 995 . 2 1 1 A 82 82 ARG C C 77 178.748 178.123 0.625 1
1 996 . 2 1 1 A 83 83 LYS N N 78 118.075 118.565 -0.490 1
1 997 . 2 1 1 A 83 83 LYS H H 78 7.696 7.939 -0.243 1
1 998 . 2 1 1 A 83 83 LYS CA C 78 58.614 59.148 -0.534 1
1 999 . 2 1 1 A 83 83 LYS HA H 78 4.031 4.053 -0.022 1
1 1000 . 2 1 1 A 83 83 LYS CB C 78 32.055 32.040 0.015 1
1 1005 . 2 1 1 A 83 83 LYS C C 78 177.890 178.566 -0.676 1
1 1006 . 2 1 1 A 84 84 MET N N 79 118.233 119.461 -1.228 1
1 1007 . 2 1 1 A 84 84 MET H H 79 7.748 7.908 -0.160 1
1 1008 . 2 1 1 A 84 84 MET CA C 79 57.254 57.879 -0.625 1
1 1009 . 2 1 1 A 84 84 MET HA H 79 4.189 4.166 0.023 1
1 1010 . 2 1 1 A 84 84 MET CB C 79 32.169 32.233 -0.064 1
1 1020 . 2 1 1 A 84 84 MET C C 79 177.036 178.193 -1.157 1
1 1021 . 2 1 1 A 85 85 GLN N N 80 117.242 119.129 -1.887 1
1 1022 . 2 1 1 A 85 85 GLN H H 80 7.843 7.595 0.248 1
1 1023 . 2 1 1 A 85 85 GLN CA C 80 56.500 58.390 -1.890 1
1 1024 . 2 1 1 A 85 85 GLN HA H 80 3.993 4.128 -0.135 1
1 1025 . 2 1 1 A 85 85 GLN CB C 80 28.124 28.205 -0.081 1
1 1035 . 2 1 1 A 85 85 GLN C C 80 176.756 175.555 1.201 1
1 1036 . 2 1 1 A 86 86 ILE N N 81 119.178 118.794 0.384 1
1 1037 . 2 1 1 A 86 86 ILE H H 81 7.715 7.849 -0.134 1
1 1038 . 2 1 1 A 86 86 ILE CA C 81 61.995 62.420 -0.425 1
1 1039 . 2 1 1 A 86 86 ILE HA H 81 3.948 3.938 0.010 1
1 1040 . 2 1 1 A 86 86 ILE CB C 81 37.856 35.716 2.140 1
1 1052 . 2 1 1 A 86 86 ILE C C 81 176.728 174.779 1.949 1
1 1053 . 2 1 1 A 87 87 GLN N N 82 121.380 120.579 0.801 1
1 1054 . 2 1 1 A 87 87 GLN H H 82 8.164 7.722 0.442 1
1 1055 . 2 1 1 A 87 87 GLN CA C 82 56.075 55.094 0.981 1
1 1056 . 2 1 1 A 87 87 GLN HA H 82 4.227 4.368 -0.141 1
1 1057 . 2 1 1 A 87 87 GLN CB C 82 28.735 30.606 -1.871 1
1 1066 . 2 1 1 A 87 87 GLN C C 82 175.836 175.961 -0.125 1
1 1067 . 2 1 1 A 88 88 CYS N N 83 118.668 120.328 -1.660 1
1 1068 . 2 1 1 A 88 88 CYS H H 83 8.238 8.520 -0.282 1
1 1069 . 2 1 1 A 88 88 CYS CA C 83 58.012 58.635 -0.623 1
1 1070 . 2 1 1 A 88 88 CYS HA H 83 4.475 4.572 -0.097 1
1 1071 . 2 1 1 A 88 88 CYS CB C 83 27.697 26.461 1.236 1
1 1074 . 2 1 1 A 88 88 CYS C C 83 173.428 173.749 -0.321 1
1 1075 . 2 1 1 A 89 89 ALA N N 84 127.014 120.427 6.587 1
1 1076 . 2 1 1 A 89 89 ALA H H 84 8.249 7.965 0.284 1
1 1077 . 2 1 1 A 89 89 ALA CA C 84 50.615 53.044 -2.429 1
1 1078 . 2 1 1 A 89 89 ALA HA H 84 4.562 4.175 0.387 1
1 1082 . 2 1 1 A 89 89 ALA CB C 84 17.465 18.106 -0.641 1
1 1083 . 2 1 1 A 89 89 ALA C C 84 175.125 177.797 -2.672 1
1 1085 . 2 1 1 A 90 90 PRO CA C 85 63.085 63.619 -0.534 1
1 1086 . 2 1 1 A 90 90 PRO HA H 85 4.386 4.650 -0.264 1
1 1087 . 2 1 1 A 90 90 PRO CB C 85 31.491 32.355 -0.864 1
1 1095 . 2 1 1 A 90 90 PRO C C 85 176.381 177.054 -0.673 1
1 1096 . 2 1 1 A 91 91 ASP N N 86 119.209 118.799 0.410 1
1 1097 . 2 1 1 A 91 91 ASP H H 86 8.429 8.168 0.261 1
1 1098 . 2 1 1 A 91 91 ASP CA C 86 53.752 54.831 -1.079 1
1 1099 . 2 1 1 A 91 91 ASP HA H 86 4.394 4.340 0.054 1
1 1100 . 2 1 1 A 91 91 ASP CB C 86 40.319 39.171 1.148 1
1 1103 . 2 1 1 A 91 91 ASP C C 86 176.101 176.517 -0.416 1
1 1104 . 2 1 1 A 92 92 LEU N N 87 122.571 121.163 1.408 1
1 1105 . 2 1 1 A 92 92 LEU H H 87 8.208 7.884 0.324 1
1 1106 . 2 1 1 A 92 92 LEU CA C 87 55.327 57.252 -1.925 1
1 1107 . 2 1 1 A 92 92 LEU HA H 87 4.205 4.198 0.007 1
1 1108 . 2 1 1 A 92 92 LEU CB C 87 41.636 42.991 -1.355 1
1 1121 . 2 1 1 A 92 92 LEU C C 87 177.406 176.261 1.145 1
1 1122 . 2 1 1 A 93 93 ALA N N 88 123.131 120.799 2.332 1
1 1123 . 2 1 1 A 93 93 ALA H H 88 8.305 7.985 0.320 1
1 1124 . 2 1 1 A 93 93 ALA CA C 88 52.823 53.401 -0.578 1
1 1125 . 2 1 1 A 93 93 ALA HA H 88 4.245 4.012 0.233 1
1 1129 . 2 1 1 A 93 93 ALA CB C 88 18.496 17.671 0.825 1
1 1130 . 2 1 1 A 93 93 ALA C C 88 178.033 176.249 1.784 1
1 1131 . 2 1 1 A 94 94 THR N N 89 112.097 102.220 9.877 1
1 1132 . 2 1 1 A 94 94 THR H H 89 7.994 8.271 -0.277 1
1 1133 . 2 1 1 A 94 94 THR CA C 89 61.892 63.217 -1.325 1
1 1134 . 2 1 1 A 94 94 THR HA H 89 4.247 3.942 0.305 1
1 1135 . 2 1 1 A 94 94 THR CB C 89 69.076 66.239 2.837 1
1 1141 . 2 1 1 A 94 94 THR C C 89 174.478 173.892 0.586 1
1 1142 . 2 1 1 A 95 95 ARG N N 90 122.704 114.097 8.607 1
1 1143 . 2 1 1 A 95 95 ARG H H 90 8.211 8.294 -0.083 1
1 1144 . 2 1 1 A 95 95 ARG CA C 90 55.803 57.572 -1.769 1
1 1145 . 2 1 1 A 95 95 ARG HA H 90 4.336 3.993 0.343 1
1 1146 . 2 1 1 A 95 95 ARG CB C 90 30.263 27.546 2.717 1
1 1157 . 2 1 1 A 95 95 ARG C C 90 175.958 176.103 -0.145 1
1 1158 . 2 1 1 A 96 96 SER N N 91 116.390 113.283 3.107 1
1 1159 . 2 1 1 A 96 96 SER H H 91 8.365 7.945 0.420 1
1 1160 . 2 1 1 A 96 96 SER CA C 91 58.011 57.977 0.034 1
1 1161 . 2 1 1 A 96 96 SER HA H 91 4.383 4.745 -0.362 1
1 1162 . 2 1 1 A 96 96 SER CB C 91 63.261 63.228 0.033 1
1 1165 . 2 1 1 A 96 96 SER C C 91 174.016 174.564 -0.548 1
1 1166 . 2 1 1 A 97 97 HIS N N 92 120.507 119.778 0.729 1
1 1167 . 2 1 1 A 97 97 HIS H H 92 8.541 8.031 0.510 1
1 1168 . 2 1 1 A 97 97 HIS CA C 92 55.068 56.801 -1.733 1
1 1169 . 2 1 1 A 97 97 HIS HA H 92 4.707 4.764 -0.057 1
1 1170 . 2 1 1 A 97 97 HIS CB C 92 28.839 32.143 -3.304 1
1 1173 . 2 1 1 A 97 97 HIS C C 92 174.186 175.704 -1.518 1
1 1174 . 2 1 1 A 98 98 SER N N 93 116.801 110.222 6.579 1
1 1175 . 2 1 1 A 98 98 SER H H 93 8.455 7.820 0.635 1
1 1176 . 2 1 1 A 98 98 SER CA C 93 58.046 57.508 0.538 1
1 1177 . 2 1 1 A 98 98 SER HA H 93 4.450 4.596 -0.146 1
1 1178 . 2 1 1 A 98 98 SER CB C 93 63.434 63.165 0.269 1
1 1181 . 2 1 1 A 98 98 SER C C 93 174.553 173.694 0.859 1
1 1182 . 2 1 1 A 99 99 GLY N N 94 111.114 110.574 0.540 1
1 1183 . 2 1 1 A 99 99 GLY H H 94 8.597 8.104 0.493 1
1 1184 . 2 1 1 A 99 99 GLY CA C 94 44.888 44.828 0.060 1
1 1185 . 2 1 1 A 99 99 GLY HA2 H 94 3.998 4.197 -0.199 1
1 1186 . 2 1 1 A 99 99 GLY HA3 H 94 3.998 4.207 -0.209 1
1 1187 . 2 1 1 A 99 99 GLY C C 94 173.856 174.154 -0.298 1
1 1188 . 2 1 1 A 100 100 SER N N 95 115.398 116.932 -1.534 1
1 1189 . 2 1 1 A 100 100 SER H H 95 8.311 8.273 0.038 1
1 1190 . 2 1 1 A 100 100 SER CA C 95 57.909 57.493 0.416 1
1 1191 . 2 1 1 A 100 100 SER HA H 95 4.422 4.783 -0.361 1
1 1192 . 2 1 1 A 100 100 SER CB C 95 63.377 63.977 -0.600 1
1 1195 . 2 1 1 A 100 100 SER C C 95 173.695 174.420 -0.725 1
1 1196 . 2 1 1 A 101 101 ASP N N 96 121.810 119.075 2.735 1
1 1197 . 2 1 1 A 101 101 ASP H H 96 8.380 8.454 -0.074 1
1 1198 . 2 1 1 A 101 101 ASP CA C 96 53.797 55.571 -1.774 1
1 1199 . 2 1 1 A 101 101 ASP HA H 96 4.546 4.371 0.175 1
1 1200 . 2 1 1 A 101 101 ASP CB C 96 40.440 39.258 1.182 1
1 1203 . 2 1 1 A 101 101 ASP C C 96 175.547 176.182 -0.635 1
1 1204 . 2 1 1 A 102 102 PHE N N 97 120.706 116.923 3.783 1
1 1205 . 2 1 1 A 102 102 PHE H H 97 8.249 8.504 -0.255 1
1 1206 . 2 1 1 A 102 102 PHE CA C 97 57.444 59.053 -1.609 1
1 1207 . 2 1 1 A 102 102 PHE HA H 97 4.546 4.180 0.366 1
1 1208 . 2 1 1 A 102 102 PHE CB C 97 38.772 37.843 0.929 1
1 1214 . 2 1 1 A 102 102 PHE C C 97 175.312 174.799 0.513 1
1 1215 . 2 1 1 A 103 103 SER N N 98 116.992 109.098 7.894 1
1 1216 . 2 1 1 A 103 103 SER H H 98 8.167 9.072 -0.905 1
1 1217 . 2 1 1 A 103 103 SER CA C 98 57.983 59.264 -1.281 1
1 1218 . 2 1 1 A 103 103 SER HA H 98 4.314 4.251 0.063 1
1 1219 . 2 1 1 A 103 103 SER CB C 98 63.384 60.764 2.620 1
1 1222 . 2 1 1 A 103 103 SER C C 98 173.286 173.001 0.285 1
1 1223 . 2 1 1 A 104 104 PHE N N 99 122.000 120.860 1.140 1
1 1224 . 2 1 1 A 104 104 PHE H H 99 8.170 8.118 0.052 1
1 1225 . 2 1 1 A 104 104 PHE CA C 99 57.354 55.982 1.372 1
1 1226 . 2 1 1 A 104 104 PHE HA H 99 4.545 4.648 -0.103 1
1 1227 . 2 1 1 A 104 104 PHE CB C 99 39.045 38.011 1.034 1
1 1233 . 2 1 1 A 104 104 PHE C C 99 174.621 174.671 -0.050 1
1 1234 . 2 1 1 A 105 105 ARG N N 100 124.796 123.249 1.547 1
1 1235 . 2 1 1 A 105 105 ARG H H 100 8.101 7.641 0.460 1
1 1236 . 2 1 1 A 105 105 ARG CA C 100 52.919 54.804 -1.885 1
1 1237 . 2 1 1 A 105 105 ARG HA H 100 4.542 4.403 0.139 1
1 1238 . 2 1 1 A 105 105 ARG CB C 100 29.973 29.523 0.450 1
1 1247 . 2 1 1 A 105 105 ARG C C 100 172.924 174.277 -1.353 1
1 1249 . 2 1 1 A 106 106 PRO CA C 101 62.366 62.248 0.118 1
1 1250 . 2 1 1 A 106 106 PRO HA H 101 4.349 4.530 -0.181 1
1 1251 . 2 1 1 A 106 106 PRO CB C 101 31.609 33.330 -1.721 1
1 1259 . 2 1 1 A 106 106 PRO C C 101 176.395 176.459 -0.064 1
1 1260 . 2 1 1 A 107 107 ILE N N 102 121.380 120.650 0.730 1
1 1261 . 2 1 1 A 107 107 ILE H H 102 8.350 8.617 -0.267 1
1 1262 . 2 1 1 A 107 107 ILE CA C 102 60.925 60.470 0.455 1
1 1263 . 2 1 1 A 107 107 ILE HA H 102 4.050 4.538 -0.488 1
1 1264 . 2 1 1 A 107 107 ILE CB C 102 38.165 38.426 -0.261 1
1 1277 . 2 1 1 A 107 107 ILE C C 102 175.990 175.326 0.664 1
1 1278 . 2 1 1 A 108 108 GLU N N 103 124.836 118.219 6.617 1
1 1279 . 2 1 1 A 108 108 GLU H H 103 8.578 8.037 0.541 1
1 1280 . 2 1 1 A 108 108 GLU CA C 103 55.915 57.532 -1.617 1
1 1281 . 2 1 1 A 108 108 GLU HA H 103 4.279 3.894 0.385 1
1 1282 . 2 1 1 A 108 108 GLU CB C 103 29.902 27.476 2.426 1
1 1288 . 2 1 1 A 108 108 GLU C C 103 175.678 175.125 0.553 1
1 1289 . 2 1 1 A 109 109 GLU N N 104 122.847 119.261 3.586 1
1 1290 . 2 1 1 A 109 109 GLU H H 104 8.459 7.883 0.576 1
1 1291 . 2 1 1 A 109 109 GLU CA C 104 55.845 55.509 0.336 1
1 1292 . 2 1 1 A 109 109 GLU HA H 104 4.273 4.294 -0.021 1
1 1293 . 2 1 1 A 109 109 GLU CB C 104 29.990 28.835 1.155 1
1 1299 . 2 1 1 A 109 109 GLU C C 104 174.661 176.672 -2.011 1
1 3 . 3 1 1 A 2 2 SER N N -4 115.528 114.043 1.485 1
1 4 . 3 1 1 A 2 2 SER H H -4 8.751 7.657 1.094 1
1 5 . 3 1 1 A 2 2 SER CA C -4 57.819 59.303 -1.484 1
1 6 . 3 1 1 A 2 2 SER HA H -4 4.461 4.821 -0.360 1
1 7 . 3 1 1 A 2 2 SER CB C -4 63.389 65.116 -1.727 1
1 8 . 3 1 1 A 2 2 SER C C -4 173.924 173.422 0.502 1
1 9 . 3 1 1 A 3 3 HIS N N -3 120.998 114.382 6.616 1
1 10 . 3 1 1 A 3 3 HIS H H -3 8.769 7.803 0.966 1
1 11 . 3 1 1 A 3 3 HIS CA C -3 55.238 53.634 1.604 1
1 12 . 3 1 1 A 3 3 HIS HA H -3 4.703 5.083 -0.380 1
1 13 . 3 1 1 A 3 3 HIS CB C -3 28.916 30.659 -1.743 1
1 16 . 3 1 1 A 3 3 HIS C C -3 174.207 173.269 0.938 1
1 17 . 3 1 1 A 4 4 MET N N -2 122.227 121.692 0.535 1
1 18 . 3 1 1 A 4 4 MET H H -2 8.518 8.815 -0.297 1
1 19 . 3 1 1 A 4 4 MET CA C -2 55.003 55.993 -0.990 1
1 20 . 3 1 1 A 4 4 MET HA H -2 4.420 4.581 -0.161 1
1 21 . 3 1 1 A 4 4 MET CB C -2 32.578 33.971 -1.393 1
1 31 . 3 1 1 A 4 4 MET C C -2 175.475 176.315 -0.840 1
1 49 . 3 1 1 A 7 7 ALA N N 2 124.543 123.480 1.063 1
1 50 . 3 1 1 A 7 7 ALA H H 2 8.453 8.221 0.232 1
1 51 . 3 1 1 A 7 7 ALA CA C 2 53.203 54.615 -1.412 1
1 52 . 3 1 1 A 7 7 ALA HA H 2 4.211 4.115 0.096 1
1 56 . 3 1 1 A 7 7 ALA CB C 2 18.387 18.126 0.261 1
1 57 . 3 1 1 A 7 7 ALA C C 2 178.091 179.563 -1.472 1
1 58 . 3 1 1 A 8 8 ASP N N 3 118.618 118.497 0.121 1
1 59 . 3 1 1 A 8 8 ASP H H 3 8.064 7.865 0.199 1
1 60 . 3 1 1 A 8 8 ASP CA C 3 54.381 57.306 -2.925 1
1 61 . 3 1 1 A 8 8 ASP HA H 3 4.551 4.508 0.043 1
1 62 . 3 1 1 A 8 8 ASP CB C 3 40.446 40.883 -0.437 1
1 65 . 3 1 1 A 8 8 ASP C C 3 176.662 178.447 -1.785 1
1 66 . 3 1 1 A 9 9 LEU N N 4 123.427 121.384 2.043 1
1 67 . 3 1 1 A 9 9 LEU H H 4 8.202 7.777 0.425 1
1 68 . 3 1 1 A 9 9 LEU CA C 4 57.491 57.974 -0.483 1
1 69 . 3 1 1 A 9 9 LEU HA H 4 4.084 4.079 0.005 1
1 70 . 3 1 1 A 9 9 LEU CB C 4 41.745 41.682 0.063 1
1 80 . 3 1 1 A 9 9 LEU C C 4 178.873 178.739 0.134 1
1 81 . 3 1 1 A 10 10 VAL N N 5 119.385 119.179 0.206 1
1 82 . 3 1 1 A 10 10 VAL H H 5 8.186 8.367 -0.181 1
1 83 . 3 1 1 A 10 10 VAL CA C 5 66.686 66.683 0.003 1
1 84 . 3 1 1 A 10 10 VAL HA H 5 3.435 3.540 -0.105 1
1 85 . 3 1 1 A 10 10 VAL CB C 5 31.135 31.593 -0.458 1
1 95 . 3 1 1 A 10 10 VAL C C 5 177.408 178.154 -0.746 1
1 96 . 3 1 1 A 11 11 SER N N 6 115.027 115.336 -0.309 1
1 97 . 3 1 1 A 11 11 SER H H 6 8.252 8.082 0.170 1
1 98 . 3 1 1 A 11 11 SER CA C 6 61.229 61.699 -0.470 1
1 99 . 3 1 1 A 11 11 SER HA H 6 4.068 4.067 0.001 1
1 100 . 3 1 1 A 11 11 SER CB C 6 62.054 62.834 -0.780 1
1 103 . 3 1 1 A 11 11 SER C C 6 176.036 177.378 -1.342 1
1 104 . 3 1 1 A 12 12 SER N N 7 115.144 116.138 -0.994 1
1 105 . 3 1 1 A 12 12 SER H H 7 8.053 8.134 -0.081 1
1 106 . 3 1 1 A 12 12 SER CA C 7 60.212 61.489 -1.277 1
1 107 . 3 1 1 A 12 12 SER HA H 7 4.309 4.145 0.164 1
1 108 . 3 1 1 A 12 12 SER CB C 7 62.720 62.913 -0.193 1
1 111 . 3 1 1 A 12 12 SER C C 7 176.540 176.681 -0.141 1
1 112 . 3 1 1 A 13 13 CYS N N 8 118.211 119.368 -1.157 1
1 113 . 3 1 1 A 13 13 CYS H H 8 7.919 8.368 -0.449 1
1 114 . 3 1 1 A 13 13 CYS CA C 8 63.729 64.202 -0.473 1
1 115 . 3 1 1 A 13 13 CYS HA H 8 4.046 4.147 -0.101 1
1 116 . 3 1 1 A 13 13 CYS CB C 8 26.703 27.133 -0.430 1
1 119 . 3 1 1 A 13 13 CYS C C 8 175.645 177.124 -1.479 1
1 120 . 3 1 1 A 14 14 LYS N N 9 120.074 121.314 -1.240 1
1 121 . 3 1 1 A 14 14 LYS H H 9 8.632 8.054 0.578 1
1 122 . 3 1 1 A 14 14 LYS CA C 9 60.438 59.614 0.824 1
1 123 . 3 1 1 A 14 14 LYS HA H 9 3.668 4.003 -0.335 1
1 124 . 3 1 1 A 14 14 LYS CB C 9 31.655 32.079 -0.424 1
1 136 . 3 1 1 A 14 14 LYS C C 9 177.590 177.851 -0.261 1
1 137 . 3 1 1 A 15 15 ASP N N 10 117.611 119.656 -2.045 1
1 138 . 3 1 1 A 15 15 ASP H H 10 7.732 8.177 -0.445 1
1 139 . 3 1 1 A 15 15 ASP CA C 10 56.325 57.394 -1.069 1
1 140 . 3 1 1 A 15 15 ASP HA H 10 4.320 4.271 0.049 1
1 141 . 3 1 1 A 15 15 ASP CB C 10 40.092 41.778 -1.686 1
1 144 . 3 1 1 A 15 15 ASP C C 10 177.731 178.595 -0.864 1
1 145 . 3 1 1 A 16 16 LYS N N 11 117.878 118.756 -0.878 1
1 146 . 3 1 1 A 16 16 LYS H H 11 7.254 7.929 -0.675 1
1 147 . 3 1 1 A 16 16 LYS CA C 11 58.984 59.271 -0.287 1
1 148 . 3 1 1 A 16 16 LYS HA H 11 3.662 3.764 -0.102 1
1 149 . 3 1 1 A 16 16 LYS CB C 11 32.933 32.247 0.686 1
1 158 . 3 1 1 A 16 16 LYS C C 11 177.350 178.269 -0.919 1
1 159 . 3 1 1 A 17 17 LEU N N 12 115.652 121.819 -6.167 1
1 160 . 3 1 1 A 17 17 LEU H H 12 8.138 8.547 -0.409 1
1 161 . 3 1 1 A 17 17 LEU CA C 12 56.722 58.058 -1.336 1
1 162 . 3 1 1 A 17 17 LEU HA H 12 3.588 4.222 -0.634 1
1 163 . 3 1 1 A 17 17 LEU CB C 12 41.870 41.276 0.594 1
1 174 . 3 1 1 A 17 17 LEU C C 12 177.545 178.384 -0.839 1
1 175 . 3 1 1 A 18 18 ALA N N 13 116.045 120.607 -4.562 1
1 176 . 3 1 1 A 18 18 ALA H H 13 7.080 8.512 -1.432 1
1 177 . 3 1 1 A 18 18 ALA CA C 13 53.475 54.336 -0.861 1
1 178 . 3 1 1 A 18 18 ALA HA H 13 3.984 4.120 -0.136 1
1 182 . 3 1 1 A 18 18 ALA CB C 13 18.121 18.862 -0.741 1
1 183 . 3 1 1 A 18 18 ALA C C 13 178.298 179.802 -1.504 1
1 184 . 3 1 1 A 19 19 TYR N N 14 115.556 120.037 -4.481 1
1 185 . 3 1 1 A 19 19 TYR H H 14 7.675 7.566 0.109 1
1 186 . 3 1 1 A 19 19 TYR CA C 14 58.741 59.755 -1.014 1
1 187 . 3 1 1 A 19 19 TYR HA H 14 4.323 4.091 0.232 1
1 188 . 3 1 1 A 19 19 TYR CB C 14 38.610 38.886 -0.276 1
1 193 . 3 1 1 A 19 19 TYR C C 14 176.007 176.689 -0.682 1
1 194 . 3 1 1 A 20 20 PHE N N 15 118.275 114.812 3.463 1
1 195 . 3 1 1 A 20 20 PHE H H 15 7.406 7.677 -0.271 1
1 196 . 3 1 1 A 20 20 PHE CA C 15 56.542 57.165 -0.623 1
1 197 . 3 1 1 A 20 20 PHE HA H 15 4.652 4.361 0.291 1
1 198 . 3 1 1 A 20 20 PHE CB C 15 38.561 38.886 -0.325 1
1 202 . 3 1 1 A 20 20 PHE C C 15 176.160 175.500 0.660 1
1 203 . 3 1 1 A 21 21 ARG N N 16 119.140 116.591 2.549 1
1 204 . 3 1 1 A 21 21 ARG H H 16 8.714 7.876 0.838 1
1 205 . 3 1 1 A 21 21 ARG CA C 16 54.474 58.235 -3.761 1
1 206 . 3 1 1 A 21 21 ARG HA H 16 4.747 4.025 0.722 1
1 207 . 3 1 1 A 21 21 ARG CB C 16 30.097 28.900 1.197 1
1 223 . 3 1 1 A 21 21 ARG C C 16 177.095 177.285 -0.190 1
1 224 . 3 1 1 A 22 22 ILE N N 17 120.734 122.104 -1.370 1
1 225 . 3 1 1 A 22 22 ILE H H 17 8.708 8.658 0.050 1
1 226 . 3 1 1 A 22 22 ILE CA C 17 65.114 64.758 0.356 1
1 227 . 3 1 1 A 22 22 ILE HA H 17 3.740 3.825 -0.085 1
1 228 . 3 1 1 A 22 22 ILE CB C 17 36.768 37.145 -0.377 1
1 241 . 3 1 1 A 22 22 ILE C C 17 176.639 177.894 -1.255 1
1 242 . 3 1 1 A 23 23 LYS N N 18 118.184 121.721 -3.537 1
1 243 . 3 1 1 A 23 23 LYS H H 18 8.267 8.283 -0.016 1
1 244 . 3 1 1 A 23 23 LYS CA C 18 59.978 59.885 0.093 1
1 245 . 3 1 1 A 23 23 LYS HA H 18 3.909 3.895 0.014 1
1 246 . 3 1 1 A 23 23 LYS CB C 18 32.191 32.258 -0.067 1
1 258 . 3 1 1 A 23 23 LYS C C 18 178.185 178.662 -0.477 1
1 259 . 3 1 1 A 24 24 GLU N N 19 117.651 119.341 -1.690 1
1 260 . 3 1 1 A 24 24 GLU H H 19 7.198 8.163 -0.965 1
1 261 . 3 1 1 A 24 24 GLU CA C 19 60.601 59.170 1.431 1
1 262 . 3 1 1 A 24 24 GLU HA H 19 4.056 4.033 0.023 1
1 263 . 3 1 1 A 24 24 GLU CB C 19 28.859 29.577 -0.718 1
1 269 . 3 1 1 A 24 24 GLU C C 19 178.542 179.090 -0.548 1
1 270 . 3 1 1 A 25 25 LEU N N 20 119.236 120.338 -1.102 1
1 271 . 3 1 1 A 25 25 LEU H H 20 7.980 8.294 -0.314 1
1 272 . 3 1 1 A 25 25 LEU CA C 20 57.812 58.030 -0.218 1
1 273 . 3 1 1 A 25 25 LEU HA H 20 3.947 3.987 -0.040 1
1 274 . 3 1 1 A 25 25 LEU CB C 20 42.172 41.727 0.445 1
1 281 . 3 1 1 A 25 25 LEU C C 20 178.081 178.971 -0.890 1
1 282 . 3 1 1 A 26 26 LYS N N 21 117.457 119.868 -2.411 1
1 283 . 3 1 1 A 26 26 LYS H H 21 8.770 8.574 0.196 1
1 284 . 3 1 1 A 26 26 LYS CA C 21 60.741 60.099 0.642 1
1 285 . 3 1 1 A 26 26 LYS HA H 21 3.806 3.857 -0.051 1
1 286 . 3 1 1 A 26 26 LYS CB C 21 31.876 32.285 -0.409 1
1 287 . 3 1 1 A 26 26 LYS C C 21 177.659 178.746 -1.087 1
1 288 . 3 1 1 A 27 27 ASP N N 22 119.023 119.610 -0.587 1
1 289 . 3 1 1 A 27 27 ASP H H 22 7.671 7.965 -0.294 1
1 290 . 3 1 1 A 27 27 ASP CA C 22 56.971 57.034 -0.063 1
1 291 . 3 1 1 A 27 27 ASP HA H 22 4.409 4.456 -0.047 1
1 292 . 3 1 1 A 27 27 ASP CB C 22 40.196 40.771 -0.575 1
1 295 . 3 1 1 A 27 27 ASP C C 22 180.796 178.770 2.026 1
1 296 . 3 1 1 A 28 28 ILE N N 23 119.318 120.162 -0.844 1
1 297 . 3 1 1 A 28 28 ILE H H 23 8.039 7.801 0.238 1
1 298 . 3 1 1 A 28 28 ILE CA C 23 65.328 65.696 -0.368 1
1 299 . 3 1 1 A 28 28 ILE HA H 23 3.601 3.633 -0.032 1
1 300 . 3 1 1 A 28 28 ILE CB C 23 37.309 38.213 -0.904 1
1 313 . 3 1 1 A 28 28 ILE C C 23 177.251 178.352 -1.101 1
1 314 . 3 1 1 A 29 29 LEU N N 24 120.356 119.119 1.237 1
1 315 . 3 1 1 A 29 29 LEU H H 24 8.220 8.334 -0.114 1
1 316 . 3 1 1 A 29 29 LEU CA C 24 58.535 58.058 0.477 1
1 317 . 3 1 1 A 29 29 LEU HA H 24 3.824 3.973 -0.149 1
1 318 . 3 1 1 A 29 29 LEU CB C 24 39.478 41.456 -1.978 1
1 326 . 3 1 1 A 29 29 LEU C C 24 178.599 178.669 -0.070 1
1 327 . 3 1 1 A 30 30 ASN N N 25 117.446 117.574 -0.128 1
1 328 . 3 1 1 A 30 30 ASN H H 25 8.687 8.493 0.194 1
1 329 . 3 1 1 A 30 30 ASN CA C 25 56.241 57.103 -0.862 1
1 330 . 3 1 1 A 30 30 ASN HA H 25 4.520 4.350 0.170 1
1 331 . 3 1 1 A 30 30 ASN CB C 25 38.899 38.822 0.077 1
1 338 . 3 1 1 A 30 30 ASN C C 25 178.958 177.724 1.234 1
1 339 . 3 1 1 A 31 31 GLN N N 26 119.946 117.596 2.350 1
1 340 . 3 1 1 A 31 31 GLN H H 26 8.184 7.770 0.414 1
1 341 . 3 1 1 A 31 31 GLN CA C 26 58.779 58.658 0.121 1
1 342 . 3 1 1 A 31 31 GLN HA H 26 4.055 4.026 0.029 1
1 343 . 3 1 1 A 31 31 GLN CB C 26 29.109 28.387 0.722 1
1 353 . 3 1 1 A 31 31 GLN C C 26 177.586 179.210 -1.624 1
1 354 . 3 1 1 A 32 32 LEU N N 27 116.979 117.695 -0.716 1
1 355 . 3 1 1 A 32 32 LEU H H 27 7.893 7.624 0.269 1
1 356 . 3 1 1 A 32 32 LEU CA C 27 54.393 56.133 -1.740 1
1 357 . 3 1 1 A 32 32 LEU HA H 27 4.240 4.126 0.114 1
1 358 . 3 1 1 A 32 32 LEU CB C 27 42.566 42.468 0.098 1
1 369 . 3 1 1 A 32 32 LEU C C 27 175.693 177.277 -1.584 1
1 370 . 3 1 1 A 33 33 GLY N N 28 108.299 106.596 1.703 1
1 371 . 3 1 1 A 33 33 GLY H H 28 7.834 8.142 -0.308 1
1 372 . 3 1 1 A 33 33 GLY CA C 28 45.707 46.329 -0.622 1
1 373 . 3 1 1 A 33 33 GLY HA2 H 28 3.952 3.962 -0.010 1
1 374 . 3 1 1 A 33 33 GLY HA3 H 28 3.952 3.965 -0.013 1
1 375 . 3 1 1 A 33 33 GLY C C 28 174.317 174.547 -0.230 1
1 376 . 3 1 1 A 34 34 LEU N N 29 120.833 121.293 -0.460 1
1 377 . 3 1 1 A 34 34 LEU H H 29 7.986 7.689 0.297 1
1 378 . 3 1 1 A 34 34 LEU CA C 29 51.600 52.299 -0.699 1
1 379 . 3 1 1 A 34 34 LEU HA H 29 4.760 4.785 -0.025 1
1 380 . 3 1 1 A 34 34 LEU CB C 29 43.531 43.108 0.423 1
1 392 . 3 1 1 A 35 35 PRO CA C 30 62.741 62.436 0.305 1
1 393 . 3 1 1 A 35 35 PRO HA H 30 4.365 4.636 -0.271 1
1 394 . 3 1 1 A 35 35 PRO CB C 30 31.856 29.398 2.458 1
1 402 . 3 1 1 A 35 35 PRO C C 30 177.334 175.533 1.801 1
1 403 . 3 1 1 A 36 36 LYS N N 31 117.589 123.843 -6.254 1
1 404 . 3 1 1 A 36 36 LYS H H 31 8.380 8.350 0.030 1
1 405 . 3 1 1 A 36 36 LYS CA C 31 55.569 55.812 -0.243 1
1 406 . 3 1 1 A 36 36 LYS HA H 31 4.288 4.531 -0.243 1
1 407 . 3 1 1 A 36 36 LYS CB C 31 33.225 32.728 0.497 1
1 417 . 3 1 1 A 36 36 LYS C C 31 174.406 174.839 -0.433 1
1 418 . 3 1 1 A 37 37 GLN N N 32 118.260 121.645 -3.385 1
1 419 . 3 1 1 A 37 37 GLN H H 32 7.698 8.123 -0.425 1
1 420 . 3 1 1 A 37 37 GLN CA C 32 55.716 53.748 1.968 1
1 421 . 3 1 1 A 37 37 GLN HA H 32 4.392 4.641 -0.249 1
1 422 . 3 1 1 A 37 37 GLN CB C 32 28.251 31.360 -3.109 1
1 432 . 3 1 1 A 37 37 GLN C C 32 175.122 175.804 -0.682 1
1 433 . 3 1 1 A 38 38 GLY N N 33 109.855 107.552 2.303 1
1 434 . 3 1 1 A 38 38 GLY H H 33 8.449 8.322 0.127 1
1 435 . 3 1 1 A 38 38 GLY CA C 33 43.315 44.436 -1.121 1
1 436 . 3 1 1 A 38 38 GLY HA2 H 33 4.600 4.103 0.497 1
1 437 . 3 1 1 A 38 38 GLY HA3 H 33 3.803 4.104 -0.301 1
1 438 . 3 1 1 A 38 38 GLY C C 33 173.537 173.540 -0.003 1
1 439 . 3 1 1 A 39 39 LYS N N 34 117.627 122.276 -4.649 1
1 440 . 3 1 1 A 39 39 LYS H H 34 8.649 8.234 0.415 1
1 441 . 3 1 1 A 39 39 LYS CA C 34 54.916 54.744 0.172 1
1 442 . 3 1 1 A 39 39 LYS HA H 34 4.395 4.610 -0.215 1
1 443 . 3 1 1 A 39 39 LYS CB C 34 32.893 34.381 -1.488 1
1 455 . 3 1 1 A 39 39 LYS C C 34 176.803 178.303 -1.500 1
1 456 . 3 1 1 A 40 40 LYS N N 35 121.705 123.877 -2.172 1
1 457 . 3 1 1 A 40 40 LYS H H 35 8.920 8.975 -0.055 1
1 458 . 3 1 1 A 40 40 LYS CA C 35 61.574 59.556 2.018 1
1 459 . 3 1 1 A 40 40 LYS HA H 35 3.599 3.961 -0.362 1
1 460 . 3 1 1 A 40 40 LYS CB C 35 31.924 32.157 -0.233 1
1 472 . 3 1 1 A 40 40 LYS C C 35 177.366 177.899 -0.533 1
1 473 . 3 1 1 A 41 41 GLN N N 36 114.634 117.976 -3.342 1
1 474 . 3 1 1 A 41 41 GLN H H 36 9.017 7.789 1.228 1
1 475 . 3 1 1 A 41 41 GLN CA C 36 57.636 58.762 -1.126 1
1 476 . 3 1 1 A 41 41 GLN HA H 36 3.731 4.018 -0.287 1
1 477 . 3 1 1 A 41 41 GLN CB C 36 27.865 28.317 -0.452 1
1 487 . 3 1 1 A 41 41 GLN C C 36 176.872 178.204 -1.332 1
1 488 . 3 1 1 A 42 42 ASP N N 37 115.980 120.503 -4.523 1
1 489 . 3 1 1 A 42 42 ASP H H 37 7.047 8.127 -1.080 1
1 490 . 3 1 1 A 42 42 ASP CA C 37 56.593 57.428 -0.835 1
1 491 . 3 1 1 A 42 42 ASP HA H 37 4.297 4.348 -0.051 1
1 492 . 3 1 1 A 42 42 ASP CB C 37 39.839 40.869 -1.030 1
1 495 . 3 1 1 A 42 42 ASP C C 37 178.454 178.983 -0.529 1
1 496 . 3 1 1 A 43 43 LEU N N 38 119.074 120.412 -1.338 1
1 497 . 3 1 1 A 43 43 LEU H H 38 7.725 8.247 -0.522 1
1 498 . 3 1 1 A 43 43 LEU CA C 38 57.713 57.999 -0.286 1
1 499 . 3 1 1 A 43 43 LEU HA H 38 3.787 3.992 -0.205 1
1 500 . 3 1 1 A 43 43 LEU CB C 38 40.214 42.370 -2.156 1
1 513 . 3 1 1 A 43 43 LEU C C 38 177.872 178.971 -1.099 1
1 514 . 3 1 1 A 44 44 ILE N N 39 118.343 118.619 -0.276 1
1 515 . 3 1 1 A 44 44 ILE H H 39 7.867 8.143 -0.276 1
1 516 . 3 1 1 A 44 44 ILE CA C 39 66.090 65.581 0.509 1
1 517 . 3 1 1 A 44 44 ILE HA H 39 3.321 3.527 -0.206 1
1 518 . 3 1 1 A 44 44 ILE CB C 39 38.013 37.759 0.254 1
1 528 . 3 1 1 A 44 44 ILE C C 39 177.711 177.852 -0.141 1
1 529 . 3 1 1 A 45 45 ASP N N 40 118.533 120.450 -1.917 1
1 530 . 3 1 1 A 45 45 ASP H H 40 8.503 8.253 0.250 1
1 531 . 3 1 1 A 45 45 ASP CA C 40 57.009 57.366 -0.357 1
1 532 . 3 1 1 A 45 45 ASP HA H 40 4.272 4.447 -0.175 1
1 533 . 3 1 1 A 45 45 ASP CB C 40 39.419 41.665 -2.246 1
1 536 . 3 1 1 A 45 45 ASP C C 40 178.392 178.962 -0.570 1
1 537 . 3 1 1 A 46 46 ARG N N 41 120.911 119.660 1.251 1
1 538 . 3 1 1 A 46 46 ARG H H 41 7.717 7.882 -0.165 1
1 539 . 3 1 1 A 46 46 ARG CA C 41 59.048 59.715 -0.667 1
1 540 . 3 1 1 A 46 46 ARG HA H 41 3.991 4.054 -0.063 1
1 541 . 3 1 1 A 46 46 ARG CB C 41 29.817 30.105 -0.288 1
1 550 . 3 1 1 A 46 46 ARG C C 41 177.537 178.208 -0.671 1
1 551 . 3 1 1 A 47 47 VAL N N 42 117.438 119.434 -1.996 1
1 552 . 3 1 1 A 47 47 VAL H H 42 7.445 7.884 -0.439 1
1 553 . 3 1 1 A 47 47 VAL CA C 42 65.881 66.361 -0.480 1
1 554 . 3 1 1 A 47 47 VAL HA H 42 3.442 3.688 -0.246 1
1 555 . 3 1 1 A 47 47 VAL CB C 42 30.931 31.806 -0.875 1
1 565 . 3 1 1 A 47 47 VAL C C 42 177.671 178.379 -0.708 1
1 566 . 3 1 1 A 48 48 LEU N N 43 117.085 117.659 -0.574 1
1 567 . 3 1 1 A 48 48 LEU H H 43 8.466 8.040 0.426 1
1 568 . 3 1 1 A 48 48 LEU CA C 43 57.248 57.720 -0.472 1
1 569 . 3 1 1 A 48 48 LEU HA H 43 3.847 4.008 -0.161 1
1 570 . 3 1 1 A 48 48 LEU CB C 43 40.720 41.084 -0.364 1
1 583 . 3 1 1 A 48 48 LEU C C 43 179.581 179.846 -0.265 1
1 584 . 3 1 1 A 49 49 ALA N N 44 120.479 122.007 -1.528 1
1 585 . 3 1 1 A 49 49 ALA H H 44 7.953 8.020 -0.067 1
1 586 . 3 1 1 A 49 49 ALA CA C 44 53.997 54.954 -0.957 1
1 587 . 3 1 1 A 49 49 ALA HA H 44 4.123 4.101 0.022 1
1 591 . 3 1 1 A 49 49 ALA CB C 44 17.631 18.340 -0.709 1
1 592 . 3 1 1 A 49 49 ALA C C 44 178.926 180.431 -1.505 1
1 593 . 3 1 1 A 50 50 LEU N N 45 115.306 119.770 -4.464 1
1 594 . 3 1 1 A 50 50 LEU H H 45 7.428 7.930 -0.502 1
1 595 . 3 1 1 A 50 50 LEU CA C 45 55.652 57.735 -2.083 1
1 596 . 3 1 1 A 50 50 LEU HA H 45 4.219 4.070 0.149 1
1 597 . 3 1 1 A 50 50 LEU CB C 45 41.846 42.023 -0.177 1
1 610 . 3 1 1 A 50 50 LEU C C 45 177.840 179.082 -1.242 1
1 611 . 3 1 1 A 51 51 LEU N N 46 115.880 117.322 -1.442 1
1 612 . 3 1 1 A 51 51 LEU H H 46 7.642 8.001 -0.359 1
1 613 . 3 1 1 A 51 51 LEU CA C 46 54.693 56.577 -1.884 1
1 614 . 3 1 1 A 51 51 LEU HA H 46 4.265 4.166 0.099 1
1 615 . 3 1 1 A 51 51 LEU CB C 46 42.040 41.779 0.261 1
1 625 . 3 1 1 A 51 51 LEU C C 46 176.015 177.662 -1.647 1
1 626 . 3 1 1 A 52 52 THR N N 47 109.201 112.763 -3.562 1
1 627 . 3 1 1 A 52 52 THR H H 47 7.516 7.586 -0.070 1
1 628 . 3 1 1 A 52 52 THR CA C 47 60.834 64.551 -3.717 1
1 629 . 3 1 1 A 52 52 THR HA H 47 4.348 4.322 0.026 1
1 630 . 3 1 1 A 52 52 THR CB C 47 69.704 69.275 0.429 1
1 636 . 3 1 1 A 52 52 THR C C 47 173.733 175.364 -1.631 1
1 637 . 3 1 1 A 53 53 ASP N N 48 122.188 119.756 2.432 1
1 638 . 3 1 1 A 53 53 ASP H H 48 8.280 8.397 -0.117 1
1 639 . 3 1 1 A 53 53 ASP CA C 48 54.185 56.587 -2.402 1
1 640 . 3 1 1 A 53 53 ASP HA H 48 4.699 4.486 0.213 1
1 641 . 3 1 1 A 53 53 ASP CB C 48 40.749 40.589 0.160 1
1 645 . 3 1 1 A 53 53 ASP C C 48 176.000 176.697 -0.697 1
1 646 . 3 1 1 A 54 54 GLU N N 49 121.966 118.606 3.360 1
1 647 . 3 1 1 A 54 54 GLU H H 49 8.588 7.768 0.820 1
1 648 . 3 1 1 A 54 54 GLU CA C 49 56.604 55.553 1.051 1
1 649 . 3 1 1 A 54 54 GLU HA H 49 4.229 4.679 -0.450 1
1 650 . 3 1 1 A 54 54 GLU CB C 49 29.642 30.759 -1.117 1
1 656 . 3 1 1 A 54 54 GLU C C 49 176.589 176.808 -0.219 1
1 657 . 3 1 1 A 55 55 GLN N N 50 120.727 119.572 1.155 1
1 658 . 3 1 1 A 55 55 GLN H H 50 8.642 7.961 0.681 1
1 659 . 3 1 1 A 55 55 GLN CA C 50 56.165 57.787 -1.622 1
1 660 . 3 1 1 A 55 55 GLN HA H 50 4.226 4.082 0.144 1
1 661 . 3 1 1 A 55 55 GLN CB C 50 28.555 28.046 0.509 1
1 671 . 3 1 1 A 55 55 GLN C C 50 176.554 176.681 -0.127 1
1 672 . 3 1 1 A 56 56 GLY N N 51 109.357 107.843 1.514 1
1 673 . 3 1 1 A 56 56 GLY H H 51 8.519 8.052 0.467 1
1 674 . 3 1 1 A 56 56 GLY CA C 51 45.276 45.565 -0.289 1
1 675 . 3 1 1 A 56 56 GLY HA2 H 51 3.951 4.051 -0.100 1
1 676 . 3 1 1 A 56 56 GLY HA3 H 51 3.815 4.071 -0.256 1
1 677 . 3 1 1 A 56 56 GLY C C 51 174.146 174.427 -0.281 1
1 678 . 3 1 1 A 57 57 GLN N N 52 119.207 118.310 0.897 1
1 679 . 3 1 1 A 57 57 GLN H H 52 8.263 7.537 0.726 1
1 680 . 3 1 1 A 57 57 GLN CA C 52 55.650 55.846 -0.196 1
1 681 . 3 1 1 A 57 57 GLN HA H 52 4.217 4.455 -0.238 1
1 682 . 3 1 1 A 57 57 GLN CB C 52 28.723 28.884 -0.161 1
1 692 . 3 1 1 A 57 57 GLN C C 52 175.872 176.893 -1.021 1
1 693 . 3 1 1 A 58 58 ARG N N 53 120.525 117.366 3.159 1
1 694 . 3 1 1 A 58 58 ARG H H 53 8.279 8.069 0.210 1
1 695 . 3 1 1 A 58 58 ARG CA C 53 55.854 57.265 -1.411 1
1 696 . 3 1 1 A 58 58 ARG HA H 53 4.204 4.238 -0.034 1
1 697 . 3 1 1 A 58 58 ARG CB C 53 29.944 29.916 0.028 1
1 708 . 3 1 1 A 58 58 ARG C C 53 175.819 176.107 -0.288 1
1 709 . 3 1 1 A 59 59 HIS N N 54 118.905 120.951 -2.046 1
1 710 . 3 1 1 A 59 59 HIS H H 54 8.397 7.441 0.956 1
1 711 . 3 1 1 A 59 59 HIS CA C 54 55.130 57.157 -2.027 1
1 712 . 3 1 1 A 59 59 HIS HA H 54 4.554 4.053 0.501 1
1 713 . 3 1 1 A 59 59 HIS CB C 54 28.953 30.275 -1.322 1
1 716 . 3 1 1 A 59 59 HIS C C 54 174.248 174.604 -0.356 1
1 717 . 3 1 1 A 60 60 HIS N N 55 119.527 122.425 -2.898 1
1 718 . 3 1 1 A 60 60 HIS H H 55 8.493 8.151 0.342 1
1 719 . 3 1 1 A 60 60 HIS CA C 55 55.589 55.904 -0.315 1
1 720 . 3 1 1 A 60 60 HIS HA H 55 4.553 3.668 0.885 1
1 721 . 3 1 1 A 60 60 HIS CB C 55 28.913 29.790 -0.877 1
1 724 . 3 1 1 A 60 60 HIS C C 55 174.759 174.999 -0.240 1
1 725 . 3 1 1 A 61 61 GLY N N 56 110.215 109.423 0.792 1
1 726 . 3 1 1 A 61 61 GLY H H 56 8.604 7.654 0.950 1
1 727 . 3 1 1 A 61 61 GLY CA C 56 44.977 45.430 -0.453 1
1 728 . 3 1 1 A 61 61 GLY HA2 H 56 3.958 3.619 0.339 1
1 729 . 3 1 1 A 61 61 GLY HA3 H 56 3.833 3.665 0.168 1
1 730 . 3 1 1 A 61 61 GLY C C 56 173.752 174.445 -0.693 1
1 731 . 3 1 1 A 62 62 TRP N N 57 120.700 118.301 2.399 1
1 732 . 3 1 1 A 62 62 TRP H H 57 8.175 7.308 0.867 1
1 733 . 3 1 1 A 62 62 TRP CA C 57 56.935 58.188 -1.253 1
1 734 . 3 1 1 A 62 62 TRP HA H 57 4.658 4.726 -0.068 1
1 735 . 3 1 1 A 62 62 TRP CB C 57 29.018 30.993 -1.975 1
1 750 . 3 1 1 A 62 62 TRP C C 57 176.442 177.452 -1.010 1
1 751 . 3 1 1 A 63 63 GLY N N 58 110.195 108.516 1.679 1
1 752 . 3 1 1 A 63 63 GLY H H 58 8.452 8.634 -0.182 1
1 753 . 3 1 1 A 63 63 GLY CA C 58 45.052 45.789 -0.737 1
1 754 . 3 1 1 A 63 63 GLY HA2 H 58 3.925 4.034 -0.109 1
1 755 . 3 1 1 A 63 63 GLY HA3 H 58 3.833 4.085 -0.252 1
1 756 . 3 1 1 A 63 63 GLY C C 58 173.738 173.920 -0.182 1
1 757 . 3 1 1 A 64 64 ARG N N 59 120.374 121.619 -1.245 1
1 758 . 3 1 1 A 64 64 ARG H H 59 8.136 7.761 0.375 1
1 759 . 3 1 1 A 64 64 ARG CA C 59 55.779 55.427 0.352 1
1 760 . 3 1 1 A 64 64 ARG HA H 59 4.287 4.513 -0.226 1
1 761 . 3 1 1 A 64 64 ARG CB C 59 30.244 30.292 -0.048 1
1 772 . 3 1 1 A 64 64 ARG C C 59 176.269 175.734 0.535 1
1 773 . 3 1 1 A 65 65 LYS N N 60 121.590 119.820 1.770 1
1 774 . 3 1 1 A 65 65 LYS H H 60 8.483 8.250 0.233 1
1 775 . 3 1 1 A 65 65 LYS CA C 60 56.435 57.325 -0.890 1
1 776 . 3 1 1 A 65 65 LYS HA H 60 4.226 3.859 0.367 1
1 777 . 3 1 1 A 65 65 LYS CB C 60 32.259 31.115 1.144 1
1 783 . 3 1 1 A 65 65 LYS C C 60 176.075 175.623 0.452 1
1 784 . 3 1 1 A 66 66 ASN N N 61 118.654 116.417 2.237 1
1 785 . 3 1 1 A 66 66 ASN H H 61 8.413 8.830 -0.417 1
1 786 . 3 1 1 A 66 66 ASN CA C 61 53.042 53.881 -0.839 1
1 787 . 3 1 1 A 66 66 ASN HA H 61 4.651 4.533 0.118 1
1 788 . 3 1 1 A 66 66 ASN CB C 61 38.348 36.130 2.218 1
1 795 . 3 1 1 A 66 66 ASN C C 61 174.530 174.832 -0.302 1
1 796 . 3 1 1 A 67 67 SER N N 62 115.494 114.700 0.794 1
1 797 . 3 1 1 A 67 67 SER H H 62 8.289 8.178 0.111 1
1 798 . 3 1 1 A 67 67 SER CA C 62 58.090 58.499 -0.409 1
1 799 . 3 1 1 A 67 67 SER HA H 62 4.294 4.543 -0.249 1
1 800 . 3 1 1 A 67 67 SER CB C 62 63.205 61.709 1.496 1
1 803 . 3 1 1 A 67 67 SER C C 62 173.894 174.447 -0.553 1
1 804 . 3 1 1 A 68 68 LEU N N 63 123.552 118.535 5.017 1
1 805 . 3 1 1 A 68 68 LEU H H 63 8.063 8.137 -0.074 1
1 806 . 3 1 1 A 68 68 LEU CA C 63 54.124 54.033 0.091 1
1 807 . 3 1 1 A 68 68 LEU HA H 63 4.495 4.604 -0.109 1
1 808 . 3 1 1 A 68 68 LEU CB C 63 42.447 43.135 -0.688 1
1 821 . 3 1 1 A 68 68 LEU C C 63 176.587 175.624 0.963 1
1 822 . 3 1 1 A 69 69 THR N N 64 112.637 114.059 -1.422 1
1 823 . 3 1 1 A 69 69 THR H H 64 7.797 6.929 0.868 1
1 824 . 3 1 1 A 69 69 THR CA C 64 60.021 60.758 -0.737 1
1 825 . 3 1 1 A 69 69 THR HA H 64 4.490 4.761 -0.271 1
1 826 . 3 1 1 A 69 69 THR CB C 64 70.896 71.293 -0.397 1
1 832 . 3 1 1 A 69 69 THR C C 64 174.998 175.649 -0.651 1
1 833 . 3 1 1 A 70 70 LYS N N 65 120.128 123.311 -3.183 1
1 834 . 3 1 1 A 70 70 LYS H H 65 9.059 9.037 0.022 1
1 835 . 3 1 1 A 70 70 LYS CA C 65 59.374 59.046 0.328 1
1 836 . 3 1 1 A 70 70 LYS HA H 65 3.941 4.010 -0.069 1
1 837 . 3 1 1 A 70 70 LYS CB C 65 31.830 31.905 -0.075 1
1 843 . 3 1 1 A 70 70 LYS C C 65 177.539 178.463 -0.924 1
1 844 . 3 1 1 A 71 71 GLU N N 66 117.667 119.562 -1.895 1
1 845 . 3 1 1 A 71 71 GLU H H 66 8.699 8.575 0.124 1
1 846 . 3 1 1 A 71 71 GLU CA C 66 60.307 59.159 1.148 1
1 847 . 3 1 1 A 71 71 GLU HA H 66 3.812 4.055 -0.243 1
1 848 . 3 1 1 A 71 71 GLU CB C 66 27.903 29.796 -1.893 1
1 855 . 3 1 1 A 71 71 GLU C C 66 178.499 178.925 -0.426 1
1 856 . 3 1 1 A 72 72 ALA N N 67 123.914 122.190 1.724 1
1 857 . 3 1 1 A 72 72 ALA H H 67 7.991 7.532 0.459 1
1 858 . 3 1 1 A 72 72 ALA CA C 67 54.601 55.023 -0.422 1
1 859 . 3 1 1 A 72 72 ALA HA H 67 4.116 4.056 0.060 1
1 863 . 3 1 1 A 72 72 ALA CB C 67 18.288 18.500 -0.212 1
1 864 . 3 1 1 A 72 72 ALA C C 67 178.721 179.658 -0.937 1
1 865 . 3 1 1 A 73 73 VAL N N 68 119.435 117.906 1.529 1
1 866 . 3 1 1 A 73 73 VAL H H 68 8.045 8.042 0.003 1
1 867 . 3 1 1 A 73 73 VAL CA C 68 66.211 66.642 -0.431 1
1 868 . 3 1 1 A 73 73 VAL HA H 68 3.470 3.557 -0.087 1
1 869 . 3 1 1 A 73 73 VAL CB C 68 31.103 31.560 -0.457 1
1 879 . 3 1 1 A 73 73 VAL C C 68 177.001 178.615 -1.614 1
1 880 . 3 1 1 A 74 74 ALA N N 69 120.667 121.753 -1.086 1
1 881 . 3 1 1 A 74 74 ALA H H 69 8.407 8.181 0.226 1
1 882 . 3 1 1 A 74 74 ALA CA C 69 54.687 55.144 -0.457 1
1 883 . 3 1 1 A 74 74 ALA HA H 69 3.981 4.091 -0.110 1
1 887 . 3 1 1 A 74 74 ALA CB C 69 18.048 18.045 0.003 1
1 888 . 3 1 1 A 74 74 ALA C C 69 178.865 179.561 -0.696 1
1 889 . 3 1 1 A 75 75 LYS N N 70 118.628 117.821 0.807 1
1 890 . 3 1 1 A 75 75 LYS H H 70 7.930 7.855 0.075 1
1 891 . 3 1 1 A 75 75 LYS CA C 70 58.914 59.868 -0.954 1
1 892 . 3 1 1 A 75 75 LYS HA H 70 4.105 4.009 0.096 1
1 893 . 3 1 1 A 75 75 LYS CB C 70 31.806 32.145 -0.339 1
1 903 . 3 1 1 A 75 75 LYS C C 70 177.409 179.025 -1.616 1
1 904 . 3 1 1 A 76 76 ILE N N 71 120.231 119.819 0.412 1
1 905 . 3 1 1 A 76 76 ILE H H 71 7.478 7.788 -0.310 1
1 906 . 3 1 1 A 76 76 ILE CA C 71 64.835 64.792 0.043 1
1 907 . 3 1 1 A 76 76 ILE HA H 71 3.973 3.686 0.287 1
1 908 . 3 1 1 A 76 76 ILE CB C 71 37.788 37.215 0.573 1
1 921 . 3 1 1 A 76 76 ILE C C 71 179.734 178.320 1.414 1
1 922 . 3 1 1 A 77 77 VAL N N 72 122.505 119.988 2.517 1
1 923 . 3 1 1 A 77 77 VAL H H 72 8.325 8.035 0.290 1
1 924 . 3 1 1 A 77 77 VAL CA C 72 67.425 66.798 0.627 1
1 925 . 3 1 1 A 77 77 VAL HA H 72 3.581 3.495 0.086 1
1 926 . 3 1 1 A 77 77 VAL CB C 72 30.885 31.584 -0.699 1
1 936 . 3 1 1 A 77 77 VAL C C 72 176.939 178.236 -1.297 1
1 937 . 3 1 1 A 78 78 ASP N N 73 120.524 120.465 0.059 1
1 938 . 3 1 1 A 78 78 ASP H H 73 8.798 8.297 0.501 1
1 939 . 3 1 1 A 78 78 ASP CA C 73 58.163 57.584 0.579 1
1 940 . 3 1 1 A 78 78 ASP HA H 73 4.392 4.446 -0.054 1
1 941 . 3 1 1 A 78 78 ASP CB C 73 41.459 41.299 0.160 1
1 945 . 3 1 1 A 78 78 ASP C C 73 178.122 178.424 -0.302 1
1 946 . 3 1 1 A 79 79 ASP N N 74 119.762 119.845 -0.083 1
1 947 . 3 1 1 A 79 79 ASP H H 74 9.318 8.179 1.139 1
1 948 . 3 1 1 A 79 79 ASP CA C 74 57.122 57.230 -0.108 1
1 949 . 3 1 1 A 79 79 ASP HA H 74 4.405 4.365 0.040 1
1 950 . 3 1 1 A 79 79 ASP CB C 74 39.850 40.535 -0.685 1
1 954 . 3 1 1 A 79 79 ASP C C 74 178.921 178.609 0.312 1
1 955 . 3 1 1 A 80 80 THR N N 75 117.347 116.003 1.344 1
1 956 . 3 1 1 A 80 80 THR H H 75 8.084 8.298 -0.214 1
1 957 . 3 1 1 A 80 80 THR CA C 75 67.055 66.245 0.810 1
1 958 . 3 1 1 A 80 80 THR HA H 75 3.846 3.808 0.038 1
1 959 . 3 1 1 A 80 80 THR CB C 75 67.692 67.939 -0.247 1
1 965 . 3 1 1 A 80 80 THR C C 75 175.367 175.803 -0.436 1
1 966 . 3 1 1 A 81 81 TYR N N 76 123.735 120.679 3.056 1
1 967 . 3 1 1 A 81 81 TYR H H 76 8.830 8.262 0.568 1
1 968 . 3 1 1 A 81 81 TYR CA C 76 61.712 61.926 -0.214 1
1 969 . 3 1 1 A 81 81 TYR HA H 76 4.269 4.336 -0.067 1
1 970 . 3 1 1 A 81 81 TYR CB C 76 38.639 38.775 -0.136 1
1 974 . 3 1 1 A 81 81 TYR C C 76 176.700 177.701 -1.001 1
1 975 . 3 1 1 A 82 82 ARG N N 77 118.508 117.753 0.755 1
1 976 . 3 1 1 A 82 82 ARG H H 77 8.755 8.595 0.160 1
1 977 . 3 1 1 A 82 82 ARG CA C 77 58.776 59.758 -0.982 1
1 978 . 3 1 1 A 82 82 ARG HA H 77 3.892 4.066 -0.174 1
1 979 . 3 1 1 A 82 82 ARG CB C 77 29.459 29.932 -0.473 1
1 995 . 3 1 1 A 82 82 ARG C C 77 178.748 179.391 -0.643 1
1 996 . 3 1 1 A 83 83 LYS N N 78 118.075 118.648 -0.573 1
1 997 . 3 1 1 A 83 83 LYS H H 78 7.696 8.039 -0.343 1
1 998 . 3 1 1 A 83 83 LYS CA C 78 58.614 58.809 -0.195 1
1 999 . 3 1 1 A 83 83 LYS HA H 78 4.031 4.167 -0.136 1
1 1000 . 3 1 1 A 83 83 LYS CB C 78 32.055 31.953 0.102 1
1 1005 . 3 1 1 A 83 83 LYS C C 78 177.890 179.161 -1.271 1
1 1006 . 3 1 1 A 84 84 MET N N 79 118.233 119.541 -1.308 1
1 1007 . 3 1 1 A 84 84 MET H H 79 7.748 8.073 -0.325 1
1 1008 . 3 1 1 A 84 84 MET CA C 79 57.254 58.495 -1.241 1
1 1009 . 3 1 1 A 84 84 MET HA H 79 4.189 4.213 -0.024 1
1 1010 . 3 1 1 A 84 84 MET CB C 79 32.169 32.971 -0.802 1
1 1020 . 3 1 1 A 84 84 MET C C 79 177.036 176.950 0.086 1
1 1021 . 3 1 1 A 85 85 GLN N N 80 117.242 117.208 0.034 1
1 1022 . 3 1 1 A 85 85 GLN H H 80 7.843 7.891 -0.048 1
1 1023 . 3 1 1 A 85 85 GLN CA C 80 56.500 55.074 1.426 1
1 1024 . 3 1 1 A 85 85 GLN HA H 80 3.993 4.524 -0.531 1
1 1025 . 3 1 1 A 85 85 GLN CB C 80 28.124 29.901 -1.777 1
1 1035 . 3 1 1 A 85 85 GLN C C 80 176.756 175.441 1.315 1
1 1036 . 3 1 1 A 86 86 ILE N N 81 119.178 117.697 1.481 1
1 1037 . 3 1 1 A 86 86 ILE H H 81 7.715 7.732 -0.017 1
1 1038 . 3 1 1 A 86 86 ILE CA C 81 61.995 62.495 -0.500 1
1 1039 . 3 1 1 A 86 86 ILE HA H 81 3.948 3.704 0.244 1
1 1040 . 3 1 1 A 86 86 ILE CB C 81 37.856 36.491 1.365 1
1 1052 . 3 1 1 A 86 86 ILE C C 81 176.728 174.909 1.819 1
1 1053 . 3 1 1 A 87 87 GLN N N 82 121.380 120.976 0.404 1
1 1054 . 3 1 1 A 87 87 GLN H H 82 8.164 7.911 0.253 1
1 1055 . 3 1 1 A 87 87 GLN CA C 82 56.075 55.516 0.559 1
1 1056 . 3 1 1 A 87 87 GLN HA H 82 4.227 4.297 -0.070 1
1 1057 . 3 1 1 A 87 87 GLN CB C 82 28.735 30.216 -1.481 1
1 1066 . 3 1 1 A 87 87 GLN C C 82 175.836 176.248 -0.412 1
1 1067 . 3 1 1 A 88 88 CYS N N 83 118.668 117.170 1.498 1
1 1068 . 3 1 1 A 88 88 CYS H H 83 8.238 8.792 -0.554 1
1 1069 . 3 1 1 A 88 88 CYS CA C 83 58.012 61.031 -3.019 1
1 1070 . 3 1 1 A 88 88 CYS HA H 83 4.475 3.935 0.540 1
1 1071 . 3 1 1 A 88 88 CYS CB C 83 27.697 26.173 1.524 1
1 1074 . 3 1 1 A 88 88 CYS C C 83 173.428 174.102 -0.674 1
1 1075 . 3 1 1 A 89 89 ALA N N 84 127.014 122.374 4.640 1
1 1076 . 3 1 1 A 89 89 ALA H H 84 8.249 7.925 0.324 1
1 1077 . 3 1 1 A 89 89 ALA CA C 84 50.615 52.610 -1.995 1
1 1078 . 3 1 1 A 89 89 ALA HA H 84 4.562 3.980 0.582 1
1 1082 . 3 1 1 A 89 89 ALA CB C 84 17.465 17.142 0.323 1
1 1083 . 3 1 1 A 89 89 ALA C C 84 175.125 178.110 -2.985 1
1 1085 . 3 1 1 A 90 90 PRO CA C 85 63.085 63.670 -0.585 1
1 1086 . 3 1 1 A 90 90 PRO HA H 85 4.386 4.314 0.072 1
1 1087 . 3 1 1 A 90 90 PRO CB C 85 31.491 32.083 -0.592 1
1 1095 . 3 1 1 A 90 90 PRO C C 85 176.381 177.061 -0.680 1
1 1096 . 3 1 1 A 91 91 ASP N N 86 119.209 118.697 0.512 1
1 1097 . 3 1 1 A 91 91 ASP H H 86 8.429 8.070 0.359 1
1 1098 . 3 1 1 A 91 91 ASP CA C 86 53.752 54.742 -0.990 1
1 1099 . 3 1 1 A 91 91 ASP HA H 86 4.394 4.302 0.092 1
1 1100 . 3 1 1 A 91 91 ASP CB C 86 40.319 39.040 1.279 1
1 1103 . 3 1 1 A 91 91 ASP C C 86 176.101 176.523 -0.422 1
1 1104 . 3 1 1 A 92 92 LEU N N 87 122.571 123.452 -0.881 1
1 1105 . 3 1 1 A 92 92 LEU H H 87 8.208 7.877 0.331 1
1 1106 . 3 1 1 A 92 92 LEU CA C 87 55.327 57.716 -2.389 1
1 1107 . 3 1 1 A 92 92 LEU HA H 87 4.205 3.997 0.208 1
1 1108 . 3 1 1 A 92 92 LEU CB C 87 41.636 42.561 -0.925 1
1 1121 . 3 1 1 A 92 92 LEU C C 87 177.406 176.255 1.151 1
1 1122 . 3 1 1 A 93 93 ALA N N 88 123.131 120.690 2.441 1
1 1123 . 3 1 1 A 93 93 ALA H H 88 8.305 7.906 0.399 1
1 1124 . 3 1 1 A 93 93 ALA CA C 88 52.823 53.227 -0.404 1
1 1125 . 3 1 1 A 93 93 ALA HA H 88 4.245 3.945 0.300 1
1 1129 . 3 1 1 A 93 93 ALA CB C 88 18.496 17.447 1.049 1
1 1130 . 3 1 1 A 93 93 ALA C C 88 178.033 176.254 1.779 1
1 1131 . 3 1 1 A 94 94 THR N N 89 112.097 102.216 9.881 1
1 1132 . 3 1 1 A 94 94 THR H H 89 7.994 8.237 -0.243 1
1 1133 . 3 1 1 A 94 94 THR CA C 89 61.892 63.072 -1.180 1
1 1134 . 3 1 1 A 94 94 THR HA H 89 4.247 3.905 0.342 1
1 1135 . 3 1 1 A 94 94 THR CB C 89 69.076 66.429 2.647 1
1 1141 . 3 1 1 A 94 94 THR C C 89 174.478 173.847 0.631 1
1 1142 . 3 1 1 A 95 95 ARG N N 90 122.704 113.546 9.158 1
1 1143 . 3 1 1 A 95 95 ARG H H 90 8.211 8.293 -0.082 1
1 1144 . 3 1 1 A 95 95 ARG CA C 90 55.803 57.636 -1.833 1
1 1145 . 3 1 1 A 95 95 ARG HA H 90 4.336 4.038 0.298 1
1 1146 . 3 1 1 A 95 95 ARG CB C 90 30.263 27.233 3.030 1
1 1157 . 3 1 1 A 95 95 ARG C C 90 175.958 174.869 1.089 1
1 1158 . 3 1 1 A 96 96 SER N N 91 116.390 115.011 1.379 1
1 1159 . 3 1 1 A 96 96 SER H H 91 8.365 8.086 0.279 1
1 1160 . 3 1 1 A 96 96 SER CA C 91 58.011 58.028 -0.017 1
1 1161 . 3 1 1 A 96 96 SER HA H 91 4.383 4.684 -0.301 1
1 1162 . 3 1 1 A 96 96 SER CB C 91 63.261 61.956 1.305 1
1 1165 . 3 1 1 A 96 96 SER C C 91 174.016 174.247 -0.231 1
1 1166 . 3 1 1 A 97 97 HIS N N 92 120.507 118.997 1.510 1
1 1167 . 3 1 1 A 97 97 HIS H H 92 8.541 8.519 0.022 1
1 1168 . 3 1 1 A 97 97 HIS CA C 92 55.068 55.146 -0.078 1
1 1169 . 3 1 1 A 97 97 HIS HA H 92 4.707 4.839 -0.132 1
1 1170 . 3 1 1 A 97 97 HIS CB C 92 28.839 30.688 -1.849 1
1 1173 . 3 1 1 A 97 97 HIS C C 92 174.186 174.178 0.008 1
1 1174 . 3 1 1 A 98 98 SER N N 93 116.801 110.831 5.970 1
1 1175 . 3 1 1 A 98 98 SER H H 93 8.455 7.566 0.889 1
1 1176 . 3 1 1 A 98 98 SER CA C 93 58.046 57.472 0.574 1
1 1177 . 3 1 1 A 98 98 SER HA H 93 4.450 4.521 -0.071 1
1 1178 . 3 1 1 A 98 98 SER CB C 93 63.434 65.338 -1.904 1
1 1181 . 3 1 1 A 98 98 SER C C 93 174.553 173.592 0.961 1
1 1182 . 3 1 1 A 99 99 GLY N N 94 111.114 110.699 0.415 1
1 1183 . 3 1 1 A 99 99 GLY H H 94 8.597 8.510 0.087 1
1 1184 . 3 1 1 A 99 99 GLY CA C 94 44.888 44.723 0.165 1
1 1185 . 3 1 1 A 99 99 GLY HA2 H 94 3.998 4.116 -0.118 1
1 1186 . 3 1 1 A 99 99 GLY HA3 H 94 3.998 4.122 -0.124 1
1 1187 . 3 1 1 A 99 99 GLY C C 94 173.856 174.428 -0.572 1
1 1188 . 3 1 1 A 100 100 SER N N 95 115.398 115.541 -0.143 1
1 1189 . 3 1 1 A 100 100 SER H H 95 8.311 8.435 -0.124 1
1 1190 . 3 1 1 A 100 100 SER CA C 95 57.909 59.807 -1.898 1
1 1191 . 3 1 1 A 100 100 SER HA H 95 4.422 4.305 0.117 1
1 1192 . 3 1 1 A 100 100 SER CB C 95 63.377 63.307 0.070 1
1 1195 . 3 1 1 A 100 100 SER C C 95 173.695 174.346 -0.651 1
1 1196 . 3 1 1 A 101 101 ASP N N 96 121.810 119.288 2.522 1
1 1197 . 3 1 1 A 101 101 ASP H H 96 8.380 8.403 -0.023 1
1 1198 . 3 1 1 A 101 101 ASP CA C 96 53.797 54.258 -0.461 1
1 1199 . 3 1 1 A 101 101 ASP HA H 96 4.546 4.999 -0.453 1
1 1200 . 3 1 1 A 101 101 ASP CB C 96 40.440 42.483 -2.043 1
1 1203 . 3 1 1 A 101 101 ASP C C 96 175.547 176.706 -1.159 1
1 1204 . 3 1 1 A 102 102 PHE N N 97 120.706 117.496 3.210 1
1 1205 . 3 1 1 A 102 102 PHE H H 97 8.249 8.052 0.197 1
1 1206 . 3 1 1 A 102 102 PHE CA C 97 57.444 57.970 -0.526 1
1 1207 . 3 1 1 A 102 102 PHE HA H 97 4.546 4.631 -0.085 1
1 1208 . 3 1 1 A 102 102 PHE CB C 97 38.772 39.295 -0.523 1
1 1214 . 3 1 1 A 102 102 PHE C C 97 175.312 175.941 -0.629 1
1 1215 . 3 1 1 A 103 103 SER N N 98 116.992 114.673 2.319 1
1 1216 . 3 1 1 A 103 103 SER H H 98 8.167 7.940 0.227 1
1 1217 . 3 1 1 A 103 103 SER CA C 98 57.983 57.379 0.604 1
1 1218 . 3 1 1 A 103 103 SER HA H 98 4.314 4.890 -0.576 1
1 1219 . 3 1 1 A 103 103 SER CB C 98 63.384 64.074 -0.690 1
1 1222 . 3 1 1 A 103 103 SER C C 98 173.286 173.522 -0.236 1
1 1223 . 3 1 1 A 104 104 PHE N N 99 122.000 123.271 -1.271 1
1 1224 . 3 1 1 A 104 104 PHE H H 99 8.170 8.455 -0.285 1
1 1225 . 3 1 1 A 104 104 PHE CA C 99 57.354 56.201 1.153 1
1 1226 . 3 1 1 A 104 104 PHE HA H 99 4.545 4.496 0.049 1
1 1227 . 3 1 1 A 104 104 PHE CB C 99 39.045 37.965 1.080 1
1 1233 . 3 1 1 A 104 104 PHE C C 99 174.621 174.460 0.161 1
1 1234 . 3 1 1 A 105 105 ARG N N 100 124.796 128.420 -3.624 1
1 1235 . 3 1 1 A 105 105 ARG H H 100 8.101 8.371 -0.270 1
1 1236 . 3 1 1 A 105 105 ARG CA C 100 52.919 54.360 -1.441 1
1 1237 . 3 1 1 A 105 105 ARG HA H 100 4.542 4.267 0.275 1
1 1238 . 3 1 1 A 105 105 ARG CB C 100 29.973 30.827 -0.854 1
1 1247 . 3 1 1 A 105 105 ARG C C 100 172.924 174.714 -1.790 1
1 1249 . 3 1 1 A 106 106 PRO CA C 101 62.366 62.349 0.017 1
1 1250 . 3 1 1 A 106 106 PRO HA H 101 4.349 4.681 -0.332 1
1 1251 . 3 1 1 A 106 106 PRO CB C 101 31.609 33.423 -1.814 1
1 1259 . 3 1 1 A 106 106 PRO C C 101 176.395 176.415 -0.020 1
1 1260 . 3 1 1 A 107 107 ILE N N 102 121.380 121.028 0.352 1
1 1261 . 3 1 1 A 107 107 ILE H H 102 8.350 8.487 -0.137 1
1 1262 . 3 1 1 A 107 107 ILE CA C 102 60.925 60.470 0.455 1
1 1263 . 3 1 1 A 107 107 ILE HA H 102 4.050 4.602 -0.552 1
1 1264 . 3 1 1 A 107 107 ILE CB C 102 38.165 38.949 -0.784 1
1 1277 . 3 1 1 A 107 107 ILE C C 102 175.990 176.371 -0.381 1
1 1278 . 3 1 1 A 108 108 GLU N N 103 124.836 123.303 1.533 1
1 1279 . 3 1 1 A 108 108 GLU H H 103 8.578 8.011 0.567 1
1 1280 . 3 1 1 A 108 108 GLU CA C 103 55.915 59.533 -3.618 1
1 1281 . 3 1 1 A 108 108 GLU HA H 103 4.279 3.883 0.396 1
1 1282 . 3 1 1 A 108 108 GLU CB C 103 29.902 29.153 0.749 1
1 1288 . 3 1 1 A 108 108 GLU C C 103 175.678 176.611 -0.933 1
1 1289 . 3 1 1 A 109 109 GLU N N 104 122.847 118.959 3.888 1
1 1290 . 3 1 1 A 109 109 GLU H H 104 8.459 8.070 0.389 1
1 1291 . 3 1 1 A 109 109 GLU CA C 104 55.845 57.582 -1.737 1
1 1292 . 3 1 1 A 109 109 GLU HA H 104 4.273 3.993 0.280 1
1 1293 . 3 1 1 A 109 109 GLU CB C 104 29.990 28.556 1.434 1
1 1299 . 3 1 1 A 109 109 GLU C C 104 174.661 176.077 -1.416 1
1 3 . 4 1 1 A 2 2 SER N N -4 115.528 118.023 -2.495 1
1 4 . 4 1 1 A 2 2 SER H H -4 8.751 9.055 -0.304 1
1 5 . 4 1 1 A 2 2 SER CA C -4 57.819 61.399 -3.580 1
1 6 . 4 1 1 A 2 2 SER HA H -4 4.461 4.005 0.456 1
1 7 . 4 1 1 A 2 2 SER CB C -4 63.389 61.923 1.466 1
1 8 . 4 1 1 A 2 2 SER C C -4 173.924 175.870 -1.946 1
1 9 . 4 1 1 A 3 3 HIS N N -3 120.998 117.386 3.612 1
1 10 . 4 1 1 A 3 3 HIS H H -3 8.769 6.740 2.029 1
1 11 . 4 1 1 A 3 3 HIS CA C -3 55.238 54.840 0.398 1
1 12 . 4 1 1 A 3 3 HIS HA H -3 4.703 4.727 -0.024 1
1 13 . 4 1 1 A 3 3 HIS CB C -3 28.916 28.172 0.744 1
1 16 . 4 1 1 A 3 3 HIS C C -3 174.207 174.688 -0.481 1
1 17 . 4 1 1 A 4 4 MET N N -2 122.227 118.956 3.271 1
1 18 . 4 1 1 A 4 4 MET H H -2 8.518 7.442 1.076 1
1 19 . 4 1 1 A 4 4 MET CA C -2 55.003 55.284 -0.281 1
1 20 . 4 1 1 A 4 4 MET HA H -2 4.420 4.956 -0.536 1
1 21 . 4 1 1 A 4 4 MET CB C -2 32.578 33.966 -1.388 1
1 31 . 4 1 1 A 4 4 MET C C -2 175.475 175.156 0.319 1
1 49 . 4 1 1 A 7 7 ALA N N 2 124.543 122.633 1.910 1
1 50 . 4 1 1 A 7 7 ALA H H 2 8.453 7.830 0.623 1
1 51 . 4 1 1 A 7 7 ALA CA C 2 53.203 54.855 -1.652 1
1 52 . 4 1 1 A 7 7 ALA HA H 2 4.211 4.127 0.084 1
1 56 . 4 1 1 A 7 7 ALA CB C 2 18.387 18.247 0.140 1
1 57 . 4 1 1 A 7 7 ALA C C 2 178.091 179.282 -1.191 1
1 58 . 4 1 1 A 8 8 ASP N N 3 118.618 118.201 0.417 1
1 59 . 4 1 1 A 8 8 ASP H H 3 8.064 7.916 0.148 1
1 60 . 4 1 1 A 8 8 ASP CA C 3 54.381 56.684 -2.303 1
1 61 . 4 1 1 A 8 8 ASP HA H 3 4.551 4.388 0.163 1
1 62 . 4 1 1 A 8 8 ASP CB C 3 40.446 40.859 -0.413 1
1 65 . 4 1 1 A 8 8 ASP C C 3 176.662 178.410 -1.748 1
1 66 . 4 1 1 A 9 9 LEU N N 4 123.427 120.531 2.896 1
1 67 . 4 1 1 A 9 9 LEU H H 4 8.202 7.769 0.433 1
1 68 . 4 1 1 A 9 9 LEU CA C 4 57.491 57.938 -0.447 1
1 69 . 4 1 1 A 9 9 LEU HA H 4 4.084 4.070 0.014 1
1 70 . 4 1 1 A 9 9 LEU CB C 4 41.745 41.662 0.083 1
1 80 . 4 1 1 A 9 9 LEU C C 4 178.873 178.697 0.176 1
1 81 . 4 1 1 A 10 10 VAL N N 5 119.385 119.344 0.041 1
1 82 . 4 1 1 A 10 10 VAL H H 5 8.186 8.280 -0.094 1
1 83 . 4 1 1 A 10 10 VAL CA C 5 66.686 66.616 0.070 1
1 84 . 4 1 1 A 10 10 VAL HA H 5 3.435 3.535 -0.100 1
1 85 . 4 1 1 A 10 10 VAL CB C 5 31.135 31.595 -0.460 1
1 95 . 4 1 1 A 10 10 VAL C C 5 177.408 178.254 -0.846 1
1 96 . 4 1 1 A 11 11 SER N N 6 115.027 115.639 -0.612 1
1 97 . 4 1 1 A 11 11 SER H H 6 8.252 8.044 0.208 1
1 98 . 4 1 1 A 11 11 SER CA C 6 61.229 61.672 -0.443 1
1 99 . 4 1 1 A 11 11 SER HA H 6 4.068 4.070 -0.002 1
1 100 . 4 1 1 A 11 11 SER CB C 6 62.054 62.917 -0.863 1
1 103 . 4 1 1 A 11 11 SER C C 6 176.036 176.381 -0.345 1
1 104 . 4 1 1 A 12 12 SER N N 7 115.144 116.068 -0.924 1
1 105 . 4 1 1 A 12 12 SER H H 7 8.053 8.444 -0.391 1
1 106 . 4 1 1 A 12 12 SER CA C 7 60.212 61.532 -1.320 1
1 107 . 4 1 1 A 12 12 SER HA H 7 4.309 4.198 0.111 1
1 108 . 4 1 1 A 12 12 SER CB C 7 62.720 62.605 0.115 1
1 111 . 4 1 1 A 12 12 SER C C 7 176.540 176.932 -0.392 1
1 112 . 4 1 1 A 13 13 CYS N N 8 118.211 119.767 -1.556 1
1 113 . 4 1 1 A 13 13 CYS H H 8 7.919 8.473 -0.554 1
1 114 . 4 1 1 A 13 13 CYS CA C 8 63.729 64.041 -0.312 1
1 115 . 4 1 1 A 13 13 CYS HA H 8 4.046 4.209 -0.163 1
1 116 . 4 1 1 A 13 13 CYS CB C 8 26.703 27.024 -0.321 1
1 119 . 4 1 1 A 13 13 CYS C C 8 175.645 177.074 -1.429 1
1 120 . 4 1 1 A 14 14 LYS N N 9 120.074 121.458 -1.384 1
1 121 . 4 1 1 A 14 14 LYS H H 9 8.632 8.257 0.375 1
1 122 . 4 1 1 A 14 14 LYS CA C 9 60.438 59.725 0.713 1
1 123 . 4 1 1 A 14 14 LYS HA H 9 3.668 4.052 -0.384 1
1 124 . 4 1 1 A 14 14 LYS CB C 9 31.655 32.099 -0.444 1
1 136 . 4 1 1 A 14 14 LYS C C 9 177.590 177.890 -0.300 1
1 137 . 4 1 1 A 15 15 ASP N N 10 117.611 119.554 -1.943 1
1 138 . 4 1 1 A 15 15 ASP H H 10 7.732 8.157 -0.425 1
1 139 . 4 1 1 A 15 15 ASP CA C 10 56.325 57.604 -1.279 1
1 140 . 4 1 1 A 15 15 ASP HA H 10 4.320 4.307 0.013 1
1 141 . 4 1 1 A 15 15 ASP CB C 10 40.092 41.752 -1.660 1
1 144 . 4 1 1 A 15 15 ASP C C 10 177.731 178.794 -1.063 1
1 145 . 4 1 1 A 16 16 LYS N N 11 117.878 118.600 -0.722 1
1 146 . 4 1 1 A 16 16 LYS H H 11 7.254 7.920 -0.666 1
1 147 . 4 1 1 A 16 16 LYS CA C 11 58.984 59.346 -0.362 1
1 148 . 4 1 1 A 16 16 LYS HA H 11 3.662 4.017 -0.355 1
1 149 . 4 1 1 A 16 16 LYS CB C 11 32.933 32.648 0.285 1
1 158 . 4 1 1 A 16 16 LYS C C 11 177.350 178.722 -1.372 1
1 159 . 4 1 1 A 17 17 LEU N N 12 115.652 121.870 -6.218 1
1 160 . 4 1 1 A 17 17 LEU H H 12 8.138 8.625 -0.487 1
1 161 . 4 1 1 A 17 17 LEU CA C 12 56.722 58.099 -1.377 1
1 162 . 4 1 1 A 17 17 LEU HA H 12 3.588 4.208 -0.620 1
1 163 . 4 1 1 A 17 17 LEU CB C 12 41.870 41.389 0.481 1
1 174 . 4 1 1 A 17 17 LEU C C 12 177.545 178.645 -1.100 1
1 175 . 4 1 1 A 18 18 ALA N N 13 116.045 120.985 -4.940 1
1 176 . 4 1 1 A 18 18 ALA H H 13 7.080 8.631 -1.551 1
1 177 . 4 1 1 A 18 18 ALA CA C 13 53.475 54.887 -1.412 1
1 178 . 4 1 1 A 18 18 ALA HA H 13 3.984 4.104 -0.120 1
1 182 . 4 1 1 A 18 18 ALA CB C 13 18.121 18.504 -0.383 1
1 183 . 4 1 1 A 18 18 ALA C C 13 178.298 179.736 -1.438 1
1 184 . 4 1 1 A 19 19 TYR N N 14 115.556 119.217 -3.661 1
1 185 . 4 1 1 A 19 19 TYR H H 14 7.675 7.659 0.016 1
1 186 . 4 1 1 A 19 19 TYR CA C 14 58.741 59.684 -0.943 1
1 187 . 4 1 1 A 19 19 TYR HA H 14 4.323 4.142 0.181 1
1 188 . 4 1 1 A 19 19 TYR CB C 14 38.610 39.077 -0.467 1
1 193 . 4 1 1 A 19 19 TYR C C 14 176.007 175.714 0.293 1
1 194 . 4 1 1 A 20 20 PHE N N 15 118.275 119.385 -1.110 1
1 195 . 4 1 1 A 20 20 PHE H H 15 7.406 7.757 -0.351 1
1 196 . 4 1 1 A 20 20 PHE CA C 15 56.542 56.802 -0.260 1
1 197 . 4 1 1 A 20 20 PHE HA H 15 4.652 4.741 -0.089 1
1 198 . 4 1 1 A 20 20 PHE CB C 15 38.561 40.397 -1.836 1
1 202 . 4 1 1 A 20 20 PHE C C 15 176.160 175.576 0.584 1
1 203 . 4 1 1 A 21 21 ARG N N 16 119.140 121.895 -2.755 1
1 204 . 4 1 1 A 21 21 ARG H H 16 8.714 8.671 0.043 1
1 205 . 4 1 1 A 21 21 ARG CA C 16 54.474 56.233 -1.759 1
1 206 . 4 1 1 A 21 21 ARG HA H 16 4.747 4.309 0.438 1
1 207 . 4 1 1 A 21 21 ARG CB C 16 30.097 31.229 -1.132 1
1 223 . 4 1 1 A 21 21 ARG C C 16 177.095 177.737 -0.642 1
1 224 . 4 1 1 A 22 22 ILE N N 17 120.734 122.028 -1.294 1
1 225 . 4 1 1 A 22 22 ILE H H 17 8.708 8.759 -0.051 1
1 226 . 4 1 1 A 22 22 ILE CA C 17 65.114 64.575 0.539 1
1 227 . 4 1 1 A 22 22 ILE HA H 17 3.740 3.682 0.058 1
1 228 . 4 1 1 A 22 22 ILE CB C 17 36.768 37.646 -0.878 1
1 241 . 4 1 1 A 22 22 ILE C C 17 176.639 177.928 -1.289 1
1 242 . 4 1 1 A 23 23 LYS N N 18 118.184 121.727 -3.543 1
1 243 . 4 1 1 A 23 23 LYS H H 18 8.267 8.309 -0.042 1
1 244 . 4 1 1 A 23 23 LYS CA C 18 59.978 59.926 0.052 1
1 245 . 4 1 1 A 23 23 LYS HA H 18 3.909 3.865 0.044 1
1 246 . 4 1 1 A 23 23 LYS CB C 18 32.191 32.239 -0.048 1
1 258 . 4 1 1 A 23 23 LYS C C 18 178.185 178.676 -0.491 1
1 259 . 4 1 1 A 24 24 GLU N N 19 117.651 119.899 -2.248 1
1 260 . 4 1 1 A 24 24 GLU H H 19 7.198 8.019 -0.821 1
1 261 . 4 1 1 A 24 24 GLU CA C 19 60.601 59.156 1.445 1
1 262 . 4 1 1 A 24 24 GLU HA H 19 4.056 3.884 0.172 1
1 263 . 4 1 1 A 24 24 GLU CB C 19 28.859 29.409 -0.550 1
1 269 . 4 1 1 A 24 24 GLU C C 19 178.542 179.189 -0.647 1
1 270 . 4 1 1 A 25 25 LEU N N 20 119.236 120.211 -0.975 1
1 271 . 4 1 1 A 25 25 LEU H H 20 7.980 8.200 -0.220 1
1 272 . 4 1 1 A 25 25 LEU CA C 20 57.812 58.053 -0.241 1
1 273 . 4 1 1 A 25 25 LEU HA H 20 3.947 3.984 -0.037 1
1 274 . 4 1 1 A 25 25 LEU CB C 20 42.172 41.314 0.858 1
1 281 . 4 1 1 A 25 25 LEU C C 20 178.081 179.370 -1.289 1
1 282 . 4 1 1 A 26 26 LYS N N 21 117.457 120.224 -2.767 1
1 283 . 4 1 1 A 26 26 LYS H H 21 8.770 8.403 0.367 1
1 284 . 4 1 1 A 26 26 LYS CA C 21 60.741 60.096 0.645 1
1 285 . 4 1 1 A 26 26 LYS HA H 21 3.806 3.870 -0.064 1
1 286 . 4 1 1 A 26 26 LYS CB C 21 31.876 32.066 -0.190 1
1 287 . 4 1 1 A 26 26 LYS C C 21 177.659 179.120 -1.461 1
1 288 . 4 1 1 A 27 27 ASP N N 22 119.023 120.208 -1.185 1
1 289 . 4 1 1 A 27 27 ASP H H 22 7.671 8.006 -0.335 1
1 290 . 4 1 1 A 27 27 ASP CA C 22 56.971 57.030 -0.059 1
1 291 . 4 1 1 A 27 27 ASP HA H 22 4.409 4.454 -0.045 1
1 292 . 4 1 1 A 27 27 ASP CB C 22 40.196 40.680 -0.484 1
1 295 . 4 1 1 A 27 27 ASP C C 22 180.796 178.983 1.813 1
1 296 . 4 1 1 A 28 28 ILE N N 23 119.318 120.312 -0.994 1
1 297 . 4 1 1 A 28 28 ILE H H 23 8.039 7.754 0.285 1
1 298 . 4 1 1 A 28 28 ILE CA C 23 65.328 65.524 -0.196 1
1 299 . 4 1 1 A 28 28 ILE HA H 23 3.601 3.647 -0.046 1
1 300 . 4 1 1 A 28 28 ILE CB C 23 37.309 38.130 -0.821 1
1 313 . 4 1 1 A 28 28 ILE C C 23 177.251 178.354 -1.103 1
1 314 . 4 1 1 A 29 29 LEU N N 24 120.356 121.403 -1.047 1
1 315 . 4 1 1 A 29 29 LEU H H 24 8.220 8.546 -0.326 1
1 316 . 4 1 1 A 29 29 LEU CA C 24 58.535 58.226 0.309 1
1 317 . 4 1 1 A 29 29 LEU HA H 24 3.824 3.999 -0.175 1
1 318 . 4 1 1 A 29 29 LEU CB C 24 39.478 41.414 -1.936 1
1 326 . 4 1 1 A 29 29 LEU C C 24 178.599 178.262 0.337 1
1 327 . 4 1 1 A 30 30 ASN N N 25 117.446 117.174 0.272 1
1 328 . 4 1 1 A 30 30 ASN H H 25 8.687 8.415 0.272 1
1 329 . 4 1 1 A 30 30 ASN CA C 25 56.241 56.848 -0.607 1
1 330 . 4 1 1 A 30 30 ASN HA H 25 4.520 4.381 0.139 1
1 331 . 4 1 1 A 30 30 ASN CB C 25 38.899 38.993 -0.094 1
1 338 . 4 1 1 A 30 30 ASN C C 25 178.958 178.235 0.723 1
1 339 . 4 1 1 A 31 31 GLN N N 26 119.946 118.333 1.613 1
1 340 . 4 1 1 A 31 31 GLN H H 26 8.184 7.792 0.392 1
1 341 . 4 1 1 A 31 31 GLN CA C 26 58.779 58.554 0.225 1
1 342 . 4 1 1 A 31 31 GLN HA H 26 4.055 4.079 -0.024 1
1 343 . 4 1 1 A 31 31 GLN CB C 26 29.109 28.366 0.743 1
1 353 . 4 1 1 A 31 31 GLN C C 26 177.586 179.009 -1.423 1
1 354 . 4 1 1 A 32 32 LEU N N 27 116.979 118.963 -1.984 1
1 355 . 4 1 1 A 32 32 LEU H H 27 7.893 7.751 0.142 1
1 356 . 4 1 1 A 32 32 LEU CA C 27 54.393 55.497 -1.104 1
1 357 . 4 1 1 A 32 32 LEU HA H 27 4.240 4.424 -0.184 1
1 358 . 4 1 1 A 32 32 LEU CB C 27 42.566 42.868 -0.302 1
1 369 . 4 1 1 A 32 32 LEU C C 27 175.693 176.857 -1.164 1
1 370 . 4 1 1 A 33 33 GLY N N 28 108.299 107.875 0.424 1
1 371 . 4 1 1 A 33 33 GLY H H 28 7.834 7.552 0.282 1
1 372 . 4 1 1 A 33 33 GLY CA C 28 45.707 44.892 0.815 1
1 373 . 4 1 1 A 33 33 GLY HA2 H 28 3.952 3.999 -0.047 1
1 374 . 4 1 1 A 33 33 GLY HA3 H 28 3.952 4.000 -0.048 1
1 375 . 4 1 1 A 33 33 GLY C C 28 174.317 174.696 -0.379 1
1 376 . 4 1 1 A 34 34 LEU N N 29 120.833 115.225 5.608 1
1 377 . 4 1 1 A 34 34 LEU H H 29 7.986 8.398 -0.412 1
1 378 . 4 1 1 A 34 34 LEU CA C 29 51.600 55.316 -3.716 1
1 379 . 4 1 1 A 34 34 LEU HA H 29 4.760 4.185 0.575 1
1 380 . 4 1 1 A 34 34 LEU CB C 29 43.531 40.942 2.589 1
1 392 . 4 1 1 A 35 35 PRO CA C 30 62.741 62.539 0.202 1
1 393 . 4 1 1 A 35 35 PRO HA H 30 4.365 4.484 -0.119 1
1 394 . 4 1 1 A 35 35 PRO CB C 30 31.856 32.316 -0.460 1
1 402 . 4 1 1 A 35 35 PRO C C 30 177.334 177.303 0.031 1
1 403 . 4 1 1 A 36 36 LYS N N 31 117.589 120.911 -3.322 1
1 404 . 4 1 1 A 36 36 LYS H H 31 8.380 9.017 -0.637 1
1 405 . 4 1 1 A 36 36 LYS CA C 31 55.569 59.202 -3.633 1
1 406 . 4 1 1 A 36 36 LYS HA H 31 4.288 3.956 0.332 1
1 407 . 4 1 1 A 36 36 LYS CB C 31 33.225 32.634 0.591 1
1 417 . 4 1 1 A 36 36 LYS C C 31 174.406 176.499 -2.093 1
1 418 . 4 1 1 A 37 37 GLN N N 32 118.260 113.620 4.640 1
1 419 . 4 1 1 A 37 37 GLN H H 32 7.698 7.694 0.004 1
1 420 . 4 1 1 A 37 37 GLN CA C 32 55.716 54.453 1.263 1
1 421 . 4 1 1 A 37 37 GLN HA H 32 4.392 4.676 -0.284 1
1 422 . 4 1 1 A 37 37 GLN CB C 32 28.251 30.437 -2.186 1
1 432 . 4 1 1 A 37 37 GLN C C 32 175.122 174.268 0.854 1
1 433 . 4 1 1 A 38 38 GLY N N 33 109.855 106.986 2.869 1
1 434 . 4 1 1 A 38 38 GLY H H 33 8.449 8.499 -0.050 1
1 435 . 4 1 1 A 38 38 GLY CA C 33 43.315 45.257 -1.942 1
1 436 . 4 1 1 A 38 38 GLY HA2 H 33 4.600 4.200 0.400 1
1 437 . 4 1 1 A 38 38 GLY HA3 H 33 3.803 4.200 -0.397 1
1 438 . 4 1 1 A 38 38 GLY C C 33 173.537 173.065 0.472 1
1 439 . 4 1 1 A 39 39 LYS N N 34 117.627 124.043 -6.416 1
1 440 . 4 1 1 A 39 39 LYS H H 34 8.649 8.474 0.175 1
1 441 . 4 1 1 A 39 39 LYS CA C 34 54.916 55.715 -0.799 1
1 442 . 4 1 1 A 39 39 LYS HA H 34 4.395 4.461 -0.066 1
1 443 . 4 1 1 A 39 39 LYS CB C 34 32.893 33.536 -0.643 1
1 455 . 4 1 1 A 39 39 LYS C C 34 176.803 178.122 -1.319 1
1 456 . 4 1 1 A 40 40 LYS N N 35 121.705 124.016 -2.311 1
1 457 . 4 1 1 A 40 40 LYS H H 35 8.920 8.936 -0.016 1
1 458 . 4 1 1 A 40 40 LYS CA C 35 61.574 60.373 1.201 1
1 459 . 4 1 1 A 40 40 LYS HA H 35 3.599 3.916 -0.317 1
1 460 . 4 1 1 A 40 40 LYS CB C 35 31.924 32.102 -0.178 1
1 472 . 4 1 1 A 40 40 LYS C C 35 177.366 177.951 -0.585 1
1 473 . 4 1 1 A 41 41 GLN N N 36 114.634 118.048 -3.414 1
1 474 . 4 1 1 A 41 41 GLN H H 36 9.017 7.913 1.104 1
1 475 . 4 1 1 A 41 41 GLN CA C 36 57.636 59.114 -1.478 1
1 476 . 4 1 1 A 41 41 GLN HA H 36 3.731 4.011 -0.280 1
1 477 . 4 1 1 A 41 41 GLN CB C 36 27.865 28.382 -0.517 1
1 487 . 4 1 1 A 41 41 GLN C C 36 176.872 177.976 -1.104 1
1 488 . 4 1 1 A 42 42 ASP N N 37 115.980 120.127 -4.147 1
1 489 . 4 1 1 A 42 42 ASP H H 37 7.047 8.172 -1.125 1
1 490 . 4 1 1 A 42 42 ASP CA C 37 56.593 57.436 -0.843 1
1 491 . 4 1 1 A 42 42 ASP HA H 37 4.297 4.296 0.001 1
1 492 . 4 1 1 A 42 42 ASP CB C 37 39.839 40.536 -0.697 1
1 495 . 4 1 1 A 42 42 ASP C C 37 178.454 179.035 -0.581 1
1 496 . 4 1 1 A 43 43 LEU N N 38 119.074 120.583 -1.509 1
1 497 . 4 1 1 A 43 43 LEU H H 38 7.725 8.505 -0.780 1
1 498 . 4 1 1 A 43 43 LEU CA C 38 57.713 57.981 -0.268 1
1 499 . 4 1 1 A 43 43 LEU HA H 38 3.787 3.990 -0.203 1
1 500 . 4 1 1 A 43 43 LEU CB C 38 40.214 42.226 -2.012 1
1 513 . 4 1 1 A 43 43 LEU C C 38 177.872 179.014 -1.142 1
1 514 . 4 1 1 A 44 44 ILE N N 39 118.343 118.988 -0.645 1
1 515 . 4 1 1 A 44 44 ILE H H 39 7.867 8.051 -0.184 1
1 516 . 4 1 1 A 44 44 ILE CA C 39 66.090 65.597 0.493 1
1 517 . 4 1 1 A 44 44 ILE HA H 39 3.321 3.521 -0.200 1
1 518 . 4 1 1 A 44 44 ILE CB C 39 38.013 37.770 0.243 1
1 528 . 4 1 1 A 44 44 ILE C C 39 177.711 177.773 -0.062 1
1 529 . 4 1 1 A 45 45 ASP N N 40 118.533 120.715 -2.182 1
1 530 . 4 1 1 A 45 45 ASP H H 40 8.503 8.522 -0.019 1
1 531 . 4 1 1 A 45 45 ASP CA C 40 57.009 57.509 -0.500 1
1 532 . 4 1 1 A 45 45 ASP HA H 40 4.272 4.478 -0.206 1
1 533 . 4 1 1 A 45 45 ASP CB C 40 39.419 40.258 -0.839 1
1 536 . 4 1 1 A 45 45 ASP C C 40 178.392 179.226 -0.834 1
1 537 . 4 1 1 A 46 46 ARG N N 41 120.911 120.119 0.792 1
1 538 . 4 1 1 A 46 46 ARG H H 41 7.717 7.839 -0.122 1
1 539 . 4 1 1 A 46 46 ARG CA C 41 59.048 59.582 -0.534 1
1 540 . 4 1 1 A 46 46 ARG HA H 41 3.991 4.066 -0.075 1
1 541 . 4 1 1 A 46 46 ARG CB C 41 29.817 30.418 -0.601 1
1 550 . 4 1 1 A 46 46 ARG C C 41 177.537 178.814 -1.277 1
1 551 . 4 1 1 A 47 47 VAL N N 42 117.438 119.822 -2.384 1
1 552 . 4 1 1 A 47 47 VAL H H 42 7.445 8.163 -0.718 1
1 553 . 4 1 1 A 47 47 VAL CA C 42 65.881 66.434 -0.553 1
1 554 . 4 1 1 A 47 47 VAL HA H 42 3.442 3.654 -0.212 1
1 555 . 4 1 1 A 47 47 VAL CB C 42 30.931 31.680 -0.749 1
1 565 . 4 1 1 A 47 47 VAL C C 42 177.671 177.955 -0.284 1
1 566 . 4 1 1 A 48 48 LEU N N 43 117.085 118.217 -1.132 1
1 567 . 4 1 1 A 48 48 LEU H H 43 8.466 8.111 0.355 1
1 568 . 4 1 1 A 48 48 LEU CA C 43 57.248 57.916 -0.668 1
1 569 . 4 1 1 A 48 48 LEU HA H 43 3.847 3.926 -0.079 1
1 570 . 4 1 1 A 48 48 LEU CB C 43 40.720 41.323 -0.603 1
1 583 . 4 1 1 A 48 48 LEU C C 43 179.581 179.363 0.218 1
1 584 . 4 1 1 A 49 49 ALA N N 44 120.479 122.278 -1.799 1
1 585 . 4 1 1 A 49 49 ALA H H 44 7.953 8.050 -0.097 1
1 586 . 4 1 1 A 49 49 ALA CA C 44 53.997 54.777 -0.780 1
1 587 . 4 1 1 A 49 49 ALA HA H 44 4.123 4.110 0.013 1
1 591 . 4 1 1 A 49 49 ALA CB C 44 17.631 18.214 -0.583 1
1 592 . 4 1 1 A 49 49 ALA C C 44 178.926 179.540 -0.614 1
1 593 . 4 1 1 A 50 50 LEU N N 45 115.306 120.336 -5.030 1
1 594 . 4 1 1 A 50 50 LEU H H 45 7.428 7.851 -0.423 1
1 595 . 4 1 1 A 50 50 LEU CA C 45 55.652 57.589 -1.937 1
1 596 . 4 1 1 A 50 50 LEU HA H 45 4.219 4.114 0.105 1
1 597 . 4 1 1 A 50 50 LEU CB C 45 41.846 41.834 0.012 1
1 610 . 4 1 1 A 50 50 LEU C C 45 177.840 178.744 -0.904 1
1 611 . 4 1 1 A 51 51 LEU N N 46 115.880 118.669 -2.789 1
1 612 . 4 1 1 A 51 51 LEU H H 46 7.642 8.276 -0.634 1
1 613 . 4 1 1 A 51 51 LEU CA C 46 54.693 56.550 -1.857 1
1 614 . 4 1 1 A 51 51 LEU HA H 46 4.265 4.138 0.127 1
1 615 . 4 1 1 A 51 51 LEU CB C 46 42.040 41.876 0.164 1
1 625 . 4 1 1 A 51 51 LEU C C 46 176.015 177.857 -1.842 1
1 626 . 4 1 1 A 52 52 THR N N 47 109.201 113.010 -3.809 1
1 627 . 4 1 1 A 52 52 THR H H 47 7.516 7.472 0.044 1
1 628 . 4 1 1 A 52 52 THR CA C 47 60.834 64.751 -3.917 1
1 629 . 4 1 1 A 52 52 THR HA H 47 4.348 4.275 0.073 1
1 630 . 4 1 1 A 52 52 THR CB C 47 69.704 69.371 0.333 1
1 636 . 4 1 1 A 52 52 THR C C 47 173.733 175.630 -1.897 1
1 637 . 4 1 1 A 53 53 ASP N N 48 122.188 119.326 2.862 1
1 638 . 4 1 1 A 53 53 ASP H H 48 8.280 8.281 -0.001 1
1 639 . 4 1 1 A 53 53 ASP CA C 48 54.185 56.573 -2.388 1
1 640 . 4 1 1 A 53 53 ASP HA H 48 4.699 4.464 0.235 1
1 641 . 4 1 1 A 53 53 ASP CB C 48 40.749 40.385 0.364 1
1 645 . 4 1 1 A 53 53 ASP C C 48 176.000 176.760 -0.760 1
1 646 . 4 1 1 A 54 54 GLU N N 49 121.966 118.634 3.332 1
1 647 . 4 1 1 A 54 54 GLU H H 49 8.588 7.762 0.826 1
1 648 . 4 1 1 A 54 54 GLU CA C 49 56.604 55.649 0.955 1
1 649 . 4 1 1 A 54 54 GLU HA H 49 4.229 4.921 -0.692 1
1 650 . 4 1 1 A 54 54 GLU CB C 49 29.642 30.878 -1.236 1
1 656 . 4 1 1 A 54 54 GLU C C 49 176.589 176.911 -0.322 1
1 657 . 4 1 1 A 55 55 GLN N N 50 120.727 119.635 1.092 1
1 658 . 4 1 1 A 55 55 GLN H H 50 8.642 7.497 1.145 1
1 659 . 4 1 1 A 55 55 GLN CA C 50 56.165 55.656 0.509 1
1 660 . 4 1 1 A 55 55 GLN HA H 50 4.226 4.133 0.093 1
1 661 . 4 1 1 A 55 55 GLN CB C 50 28.555 29.135 -0.580 1
1 671 . 4 1 1 A 55 55 GLN C C 50 176.554 176.636 -0.082 1
1 672 . 4 1 1 A 56 56 GLY N N 51 109.357 108.385 0.972 1
1 673 . 4 1 1 A 56 56 GLY H H 51 8.519 7.712 0.807 1
1 674 . 4 1 1 A 56 56 GLY CA C 51 45.276 46.041 -0.765 1
1 675 . 4 1 1 A 56 56 GLY HA2 H 51 3.951 2.951 1.000 1
1 676 . 4 1 1 A 56 56 GLY HA3 H 51 3.815 3.349 0.466 1
1 677 . 4 1 1 A 56 56 GLY C C 51 174.146 174.871 -0.725 1
1 678 . 4 1 1 A 57 57 GLN N N 52 119.207 117.983 1.224 1
1 679 . 4 1 1 A 57 57 GLN H H 52 8.263 8.059 0.204 1
1 680 . 4 1 1 A 57 57 GLN CA C 52 55.650 57.716 -2.066 1
1 681 . 4 1 1 A 57 57 GLN HA H 52 4.217 4.032 0.185 1
1 682 . 4 1 1 A 57 57 GLN CB C 52 28.723 28.900 -0.177 1
1 692 . 4 1 1 A 57 57 GLN C C 52 175.872 176.716 -0.844 1
1 693 . 4 1 1 A 58 58 ARG N N 53 120.525 115.437 5.088 1
1 694 . 4 1 1 A 58 58 ARG H H 53 8.279 7.473 0.806 1
1 695 . 4 1 1 A 58 58 ARG CA C 53 55.854 54.948 0.906 1
1 696 . 4 1 1 A 58 58 ARG HA H 53 4.204 4.542 -0.338 1
1 697 . 4 1 1 A 58 58 ARG CB C 53 29.944 30.008 -0.064 1
1 708 . 4 1 1 A 58 58 ARG C C 53 175.819 175.055 0.764 1
1 709 . 4 1 1 A 59 59 HIS N N 54 118.905 119.266 -0.361 1
1 710 . 4 1 1 A 59 59 HIS H H 54 8.397 8.322 0.075 1
1 711 . 4 1 1 A 59 59 HIS CA C 54 55.130 57.117 -1.987 1
1 712 . 4 1 1 A 59 59 HIS HA H 54 4.554 4.770 -0.216 1
1 713 . 4 1 1 A 59 59 HIS CB C 54 28.953 31.877 -2.924 1
1 716 . 4 1 1 A 59 59 HIS C C 54 174.248 174.745 -0.497 1
1 717 . 4 1 1 A 60 60 HIS N N 55 119.527 113.571 5.956 1
1 718 . 4 1 1 A 60 60 HIS H H 55 8.493 7.756 0.737 1
1 719 . 4 1 1 A 60 60 HIS CA C 55 55.589 53.229 2.360 1
1 720 . 4 1 1 A 60 60 HIS HA H 55 4.553 4.247 0.306 1
1 721 . 4 1 1 A 60 60 HIS CB C 55 28.913 29.026 -0.113 1
1 724 . 4 1 1 A 60 60 HIS C C 55 174.759 173.577 1.182 1
1 725 . 4 1 1 A 61 61 GLY N N 56 110.215 108.595 1.620 1
1 726 . 4 1 1 A 61 61 GLY H H 56 8.604 8.328 0.276 1
1 727 . 4 1 1 A 61 61 GLY CA C 56 44.977 46.152 -1.175 1
1 728 . 4 1 1 A 61 61 GLY HA2 H 56 3.958 3.655 0.303 1
1 729 . 4 1 1 A 61 61 GLY HA3 H 56 3.833 3.764 0.069 1
1 730 . 4 1 1 A 61 61 GLY C C 56 173.752 174.279 -0.527 1
1 731 . 4 1 1 A 62 62 TRP N N 57 120.700 122.527 -1.827 1
1 732 . 4 1 1 A 62 62 TRP H H 57 8.175 7.672 0.503 1
1 733 . 4 1 1 A 62 62 TRP CA C 57 56.935 58.049 -1.114 1
1 734 . 4 1 1 A 62 62 TRP HA H 57 4.658 4.621 0.037 1
1 735 . 4 1 1 A 62 62 TRP CB C 57 29.018 30.956 -1.938 1
1 750 . 4 1 1 A 62 62 TRP C C 57 176.442 177.431 -0.989 1
1 751 . 4 1 1 A 63 63 GLY N N 58 110.195 108.446 1.749 1
1 752 . 4 1 1 A 63 63 GLY H H 58 8.452 8.296 0.156 1
1 753 . 4 1 1 A 63 63 GLY CA C 58 45.052 45.411 -0.359 1
1 754 . 4 1 1 A 63 63 GLY HA2 H 58 3.925 4.059 -0.134 1
1 755 . 4 1 1 A 63 63 GLY HA3 H 58 3.833 4.106 -0.273 1
1 756 . 4 1 1 A 63 63 GLY C C 58 173.738 174.935 -1.197 1
1 757 . 4 1 1 A 64 64 ARG N N 59 120.374 119.213 1.161 1
1 758 . 4 1 1 A 64 64 ARG H H 59 8.136 8.306 -0.170 1
1 759 . 4 1 1 A 64 64 ARG CA C 59 55.779 57.235 -1.456 1
1 760 . 4 1 1 A 64 64 ARG HA H 59 4.287 4.247 0.040 1
1 761 . 4 1 1 A 64 64 ARG CB C 59 30.244 29.676 0.568 1
1 772 . 4 1 1 A 64 64 ARG C C 59 176.269 176.643 -0.374 1
1 773 . 4 1 1 A 65 65 LYS N N 60 121.590 117.288 4.302 1
1 774 . 4 1 1 A 65 65 LYS H H 60 8.483 8.023 0.460 1
1 775 . 4 1 1 A 65 65 LYS CA C 60 56.435 57.451 -1.016 1
1 776 . 4 1 1 A 65 65 LYS HA H 60 4.226 4.263 -0.037 1
1 777 . 4 1 1 A 65 65 LYS CB C 60 32.259 33.473 -1.214 1
1 783 . 4 1 1 A 65 65 LYS C C 60 176.075 177.524 -1.449 1
1 784 . 4 1 1 A 66 66 ASN N N 61 118.654 114.292 4.362 1
1 785 . 4 1 1 A 66 66 ASN H H 61 8.413 7.869 0.544 1
1 786 . 4 1 1 A 66 66 ASN CA C 61 53.042 51.996 1.046 1
1 787 . 4 1 1 A 66 66 ASN HA H 61 4.651 4.964 -0.313 1
1 788 . 4 1 1 A 66 66 ASN CB C 61 38.348 39.505 -1.157 1
1 795 . 4 1 1 A 66 66 ASN C C 61 174.530 175.294 -0.764 1
1 796 . 4 1 1 A 67 67 SER N N 62 115.494 113.612 1.882 1
1 797 . 4 1 1 A 67 67 SER H H 62 8.289 8.018 0.271 1
1 798 . 4 1 1 A 67 67 SER CA C 62 58.090 59.123 -1.033 1
1 799 . 4 1 1 A 67 67 SER HA H 62 4.294 4.502 -0.208 1
1 800 . 4 1 1 A 67 67 SER CB C 62 63.205 60.898 2.307 1
1 803 . 4 1 1 A 67 67 SER C C 62 173.894 174.769 -0.875 1
1 804 . 4 1 1 A 68 68 LEU N N 63 123.552 118.563 4.989 1
1 805 . 4 1 1 A 68 68 LEU H H 63 8.063 8.257 -0.194 1
1 806 . 4 1 1 A 68 68 LEU CA C 63 54.124 54.375 -0.251 1
1 807 . 4 1 1 A 68 68 LEU HA H 63 4.495 4.668 -0.173 1
1 808 . 4 1 1 A 68 68 LEU CB C 63 42.447 43.190 -0.743 1
1 821 . 4 1 1 A 68 68 LEU C C 63 176.587 175.775 0.812 1
1 822 . 4 1 1 A 69 69 THR N N 64 112.637 114.270 -1.633 1
1 823 . 4 1 1 A 69 69 THR H H 64 7.797 7.621 0.176 1
1 824 . 4 1 1 A 69 69 THR CA C 64 60.021 60.953 -0.932 1
1 825 . 4 1 1 A 69 69 THR HA H 64 4.490 4.612 -0.122 1
1 826 . 4 1 1 A 69 69 THR CB C 64 70.896 70.804 0.092 1
1 832 . 4 1 1 A 69 69 THR C C 64 174.998 175.550 -0.552 1
1 833 . 4 1 1 A 70 70 LYS N N 65 120.128 123.277 -3.149 1
1 834 . 4 1 1 A 70 70 LYS H H 65 9.059 9.005 0.054 1
1 835 . 4 1 1 A 70 70 LYS CA C 65 59.374 58.992 0.382 1
1 836 . 4 1 1 A 70 70 LYS HA H 65 3.941 3.968 -0.027 1
1 837 . 4 1 1 A 70 70 LYS CB C 65 31.830 32.141 -0.311 1
1 843 . 4 1 1 A 70 70 LYS C C 65 177.539 178.696 -1.157 1
1 844 . 4 1 1 A 71 71 GLU N N 66 117.667 119.773 -2.106 1
1 845 . 4 1 1 A 71 71 GLU H H 66 8.699 8.525 0.174 1
1 846 . 4 1 1 A 71 71 GLU CA C 66 60.307 59.552 0.755 1
1 847 . 4 1 1 A 71 71 GLU HA H 66 3.812 4.065 -0.253 1
1 848 . 4 1 1 A 71 71 GLU CB C 66 27.903 29.426 -1.523 1
1 855 . 4 1 1 A 71 71 GLU C C 66 178.499 179.071 -0.572 1
1 856 . 4 1 1 A 72 72 ALA N N 67 123.914 122.777 1.137 1
1 857 . 4 1 1 A 72 72 ALA H H 67 7.991 7.435 0.556 1
1 858 . 4 1 1 A 72 72 ALA CA C 67 54.601 55.028 -0.427 1
1 859 . 4 1 1 A 72 72 ALA HA H 67 4.116 4.096 0.020 1
1 863 . 4 1 1 A 72 72 ALA CB C 67 18.288 18.547 -0.259 1
1 864 . 4 1 1 A 72 72 ALA C C 67 178.721 179.660 -0.939 1
1 865 . 4 1 1 A 73 73 VAL N N 68 119.435 117.891 1.544 1
1 866 . 4 1 1 A 73 73 VAL H H 68 8.045 8.039 0.006 1
1 867 . 4 1 1 A 73 73 VAL CA C 68 66.211 66.642 -0.431 1
1 868 . 4 1 1 A 73 73 VAL HA H 68 3.470 3.559 -0.089 1
1 869 . 4 1 1 A 73 73 VAL CB C 68 31.103 31.718 -0.615 1
1 879 . 4 1 1 A 73 73 VAL C C 68 177.001 178.501 -1.500 1
1 880 . 4 1 1 A 74 74 ALA N N 69 120.667 121.500 -0.833 1
1 881 . 4 1 1 A 74 74 ALA H H 69 8.407 8.413 -0.006 1
1 882 . 4 1 1 A 74 74 ALA CA C 69 54.687 55.102 -0.415 1
1 883 . 4 1 1 A 74 74 ALA HA H 69 3.981 4.107 -0.126 1
1 887 . 4 1 1 A 74 74 ALA CB C 69 18.048 18.036 0.012 1
1 888 . 4 1 1 A 74 74 ALA C C 69 178.865 179.514 -0.649 1
1 889 . 4 1 1 A 75 75 LYS N N 70 118.628 118.076 0.552 1
1 890 . 4 1 1 A 75 75 LYS H H 70 7.930 7.888 0.042 1
1 891 . 4 1 1 A 75 75 LYS CA C 70 58.914 60.082 -1.168 1
1 892 . 4 1 1 A 75 75 LYS HA H 70 4.105 3.988 0.117 1
1 893 . 4 1 1 A 75 75 LYS CB C 70 31.806 32.216 -0.410 1
1 903 . 4 1 1 A 75 75 LYS C C 70 177.409 178.636 -1.227 1
1 904 . 4 1 1 A 76 76 ILE N N 71 120.231 119.579 0.652 1
1 905 . 4 1 1 A 76 76 ILE H H 71 7.478 7.913 -0.435 1
1 906 . 4 1 1 A 76 76 ILE CA C 71 64.835 64.980 -0.145 1
1 907 . 4 1 1 A 76 76 ILE HA H 71 3.973 3.650 0.323 1
1 908 . 4 1 1 A 76 76 ILE CB C 71 37.788 37.866 -0.078 1
1 921 . 4 1 1 A 76 76 ILE C C 71 179.734 177.662 2.072 1
1 922 . 4 1 1 A 77 77 VAL N N 72 122.505 119.526 2.979 1
1 923 . 4 1 1 A 77 77 VAL H H 72 8.325 7.860 0.465 1
1 924 . 4 1 1 A 77 77 VAL CA C 72 67.425 66.476 0.949 1
1 925 . 4 1 1 A 77 77 VAL HA H 72 3.581 3.453 0.128 1
1 926 . 4 1 1 A 77 77 VAL CB C 72 30.885 31.564 -0.679 1
1 936 . 4 1 1 A 77 77 VAL C C 72 176.939 177.996 -1.057 1
1 937 . 4 1 1 A 78 78 ASP N N 73 120.524 120.744 -0.220 1
1 938 . 4 1 1 A 78 78 ASP H H 73 8.798 8.349 0.449 1
1 939 . 4 1 1 A 78 78 ASP CA C 73 58.163 57.735 0.428 1
1 940 . 4 1 1 A 78 78 ASP HA H 73 4.392 4.406 -0.014 1
1 941 . 4 1 1 A 78 78 ASP CB C 73 41.459 41.387 0.072 1
1 945 . 4 1 1 A 78 78 ASP C C 73 178.122 178.244 -0.122 1
1 946 . 4 1 1 A 79 79 ASP N N 74 119.762 119.981 -0.219 1
1 947 . 4 1 1 A 79 79 ASP H H 74 9.318 8.035 1.283 1
1 948 . 4 1 1 A 79 79 ASP CA C 74 57.122 57.522 -0.400 1
1 949 . 4 1 1 A 79 79 ASP HA H 74 4.405 4.324 0.081 1
1 950 . 4 1 1 A 79 79 ASP CB C 74 39.850 40.554 -0.704 1
1 954 . 4 1 1 A 79 79 ASP C C 74 178.921 178.967 -0.046 1
1 955 . 4 1 1 A 80 80 THR N N 75 117.347 116.422 0.925 1
1 956 . 4 1 1 A 80 80 THR H H 75 8.084 8.047 0.037 1
1 957 . 4 1 1 A 80 80 THR CA C 75 67.055 66.287 0.768 1
1 958 . 4 1 1 A 80 80 THR HA H 75 3.846 3.735 0.111 1
1 959 . 4 1 1 A 80 80 THR CB C 75 67.692 68.122 -0.430 1
1 965 . 4 1 1 A 80 80 THR C C 75 175.367 176.010 -0.643 1
1 966 . 4 1 1 A 81 81 TYR N N 76 123.735 120.929 2.806 1
1 967 . 4 1 1 A 81 81 TYR H H 76 8.830 8.526 0.304 1
1 968 . 4 1 1 A 81 81 TYR CA C 76 61.712 61.835 -0.123 1
1 969 . 4 1 1 A 81 81 TYR HA H 76 4.269 4.445 -0.176 1
1 970 . 4 1 1 A 81 81 TYR CB C 76 38.639 39.017 -0.378 1
1 974 . 4 1 1 A 81 81 TYR C C 76 176.700 177.776 -1.076 1
1 975 . 4 1 1 A 82 82 ARG N N 77 118.508 117.634 0.874 1
1 976 . 4 1 1 A 82 82 ARG H H 77 8.755 8.753 0.002 1
1 977 . 4 1 1 A 82 82 ARG CA C 77 58.776 59.824 -1.048 1
1 978 . 4 1 1 A 82 82 ARG HA H 77 3.892 4.084 -0.192 1
1 979 . 4 1 1 A 82 82 ARG CB C 77 29.459 29.894 -0.435 1
1 995 . 4 1 1 A 82 82 ARG C C 77 178.748 178.815 -0.067 1
1 996 . 4 1 1 A 83 83 LYS N N 78 118.075 119.227 -1.152 1
1 997 . 4 1 1 A 83 83 LYS H H 78 7.696 7.924 -0.228 1
1 998 . 4 1 1 A 83 83 LYS CA C 78 58.614 59.056 -0.442 1
1 999 . 4 1 1 A 83 83 LYS HA H 78 4.031 4.197 -0.166 1
1 1000 . 4 1 1 A 83 83 LYS CB C 78 32.055 31.722 0.333 1
1 1005 . 4 1 1 A 83 83 LYS C C 78 177.890 178.722 -0.832 1
1 1006 . 4 1 1 A 84 84 MET N N 79 118.233 119.669 -1.436 1
1 1007 . 4 1 1 A 84 84 MET H H 79 7.748 8.060 -0.312 1
1 1008 . 4 1 1 A 84 84 MET CA C 79 57.254 58.550 -1.296 1
1 1009 . 4 1 1 A 84 84 MET HA H 79 4.189 4.269 -0.080 1
1 1010 . 4 1 1 A 84 84 MET CB C 79 32.169 33.067 -0.898 1
1 1020 . 4 1 1 A 84 84 MET C C 79 177.036 176.973 0.063 1
1 1021 . 4 1 1 A 85 85 GLN N N 80 117.242 117.489 -0.247 1
1 1022 . 4 1 1 A 85 85 GLN H H 80 7.843 8.089 -0.246 1
1 1023 . 4 1 1 A 85 85 GLN CA C 80 56.500 55.136 1.364 1
1 1024 . 4 1 1 A 85 85 GLN HA H 80 3.993 4.548 -0.555 1
1 1025 . 4 1 1 A 85 85 GLN CB C 80 28.124 29.954 -1.830 1
1 1035 . 4 1 1 A 85 85 GLN C C 80 176.756 175.390 1.366 1
1 1036 . 4 1 1 A 86 86 ILE N N 81 119.178 117.900 1.278 1
1 1037 . 4 1 1 A 86 86 ILE H H 81 7.715 7.777 -0.062 1
1 1038 . 4 1 1 A 86 86 ILE CA C 81 61.995 62.537 -0.542 1
1 1039 . 4 1 1 A 86 86 ILE HA H 81 3.948 3.694 0.254 1
1 1040 . 4 1 1 A 86 86 ILE CB C 81 37.856 36.314 1.542 1
1 1052 . 4 1 1 A 86 86 ILE C C 81 176.728 174.964 1.764 1
1 1053 . 4 1 1 A 87 87 GLN N N 82 121.380 120.129 1.251 1
1 1054 . 4 1 1 A 87 87 GLN H H 82 8.164 7.876 0.288 1
1 1055 . 4 1 1 A 87 87 GLN CA C 82 56.075 55.266 0.809 1
1 1056 . 4 1 1 A 87 87 GLN HA H 82 4.227 4.299 -0.072 1
1 1057 . 4 1 1 A 87 87 GLN CB C 82 28.735 29.837 -1.102 1
1 1066 . 4 1 1 A 87 87 GLN C C 82 175.836 176.060 -0.224 1
1 1067 . 4 1 1 A 88 88 CYS N N 83 118.668 119.764 -1.096 1
1 1068 . 4 1 1 A 88 88 CYS H H 83 8.238 8.632 -0.394 1
1 1069 . 4 1 1 A 88 88 CYS CA C 83 58.012 59.889 -1.877 1
1 1070 . 4 1 1 A 88 88 CYS HA H 83 4.475 3.867 0.608 1
1 1071 . 4 1 1 A 88 88 CYS CB C 83 27.697 25.823 1.874 1
1 1074 . 4 1 1 A 88 88 CYS C C 83 173.428 173.731 -0.303 1
1 1075 . 4 1 1 A 89 89 ALA N N 84 127.014 122.594 4.420 1
1 1076 . 4 1 1 A 89 89 ALA H H 84 8.249 7.639 0.610 1
1 1077 . 4 1 1 A 89 89 ALA CA C 84 50.615 49.394 1.221 1
1 1078 . 4 1 1 A 89 89 ALA HA H 84 4.562 4.639 -0.077 1
1 1082 . 4 1 1 A 89 89 ALA CB C 84 17.465 19.013 -1.548 1
1 1083 . 4 1 1 A 89 89 ALA C C 84 175.125 175.560 -0.435 1
1 1085 . 4 1 1 A 90 90 PRO CA C 85 63.085 63.485 -0.400 1
1 1086 . 4 1 1 A 90 90 PRO HA H 85 4.386 4.442 -0.056 1
1 1087 . 4 1 1 A 90 90 PRO CB C 85 31.491 32.111 -0.620 1
1 1095 . 4 1 1 A 90 90 PRO C C 85 176.381 176.966 -0.585 1
1 1096 . 4 1 1 A 91 91 ASP N N 86 119.209 118.734 0.475 1
1 1097 . 4 1 1 A 91 91 ASP H H 86 8.429 8.090 0.339 1
1 1098 . 4 1 1 A 91 91 ASP CA C 86 53.752 54.852 -1.100 1
1 1099 . 4 1 1 A 91 91 ASP HA H 86 4.394 4.329 0.065 1
1 1100 . 4 1 1 A 91 91 ASP CB C 86 40.319 39.065 1.254 1
1 1103 . 4 1 1 A 91 91 ASP C C 86 176.101 176.131 -0.030 1
1 1104 . 4 1 1 A 92 92 LEU N N 87 122.571 123.237 -0.666 1
1 1105 . 4 1 1 A 92 92 LEU H H 87 8.208 8.034 0.174 1
1 1106 . 4 1 1 A 92 92 LEU CA C 87 55.327 57.031 -1.704 1
1 1107 . 4 1 1 A 92 92 LEU HA H 87 4.205 4.009 0.196 1
1 1108 . 4 1 1 A 92 92 LEU CB C 87 41.636 41.883 -0.247 1
1 1121 . 4 1 1 A 92 92 LEU C C 87 177.406 176.435 0.971 1
1 1122 . 4 1 1 A 93 93 ALA N N 88 123.131 120.600 2.531 1
1 1123 . 4 1 1 A 93 93 ALA H H 88 8.305 7.591 0.714 1
1 1124 . 4 1 1 A 93 93 ALA CA C 88 52.823 53.157 -0.334 1
1 1125 . 4 1 1 A 93 93 ALA HA H 88 4.245 3.947 0.298 1
1 1129 . 4 1 1 A 93 93 ALA CB C 88 18.496 17.295 1.201 1
1 1130 . 4 1 1 A 93 93 ALA C C 88 178.033 176.325 1.708 1
1 1131 . 4 1 1 A 94 94 THR N N 89 112.097 102.213 9.884 1
1 1132 . 4 1 1 A 94 94 THR H H 89 7.994 8.252 -0.258 1
1 1133 . 4 1 1 A 94 94 THR CA C 89 61.892 63.074 -1.182 1
1 1134 . 4 1 1 A 94 94 THR HA H 89 4.247 3.943 0.304 1
1 1135 . 4 1 1 A 94 94 THR CB C 89 69.076 66.709 2.367 1
1 1141 . 4 1 1 A 94 94 THR C C 89 174.478 173.843 0.635 1
1 1142 . 4 1 1 A 95 95 ARG N N 90 122.704 113.280 9.424 1
1 1143 . 4 1 1 A 95 95 ARG H H 90 8.211 8.091 0.120 1
1 1144 . 4 1 1 A 95 95 ARG CA C 90 55.803 57.413 -1.610 1
1 1145 . 4 1 1 A 95 95 ARG HA H 90 4.336 3.641 0.695 1
1 1146 . 4 1 1 A 95 95 ARG CB C 90 30.263 27.205 3.058 1
1 1157 . 4 1 1 A 95 95 ARG C C 90 175.958 174.671 1.287 1
1 1158 . 4 1 1 A 96 96 SER N N 91 116.390 114.791 1.599 1
1 1159 . 4 1 1 A 96 96 SER H H 91 8.365 8.299 0.066 1
1 1160 . 4 1 1 A 96 96 SER CA C 91 58.011 57.699 0.312 1
1 1161 . 4 1 1 A 96 96 SER HA H 91 4.383 4.571 -0.188 1
1 1162 . 4 1 1 A 96 96 SER CB C 91 63.261 61.873 1.388 1
1 1165 . 4 1 1 A 96 96 SER C C 91 174.016 174.413 -0.397 1
1 1166 . 4 1 1 A 97 97 HIS N N 92 120.507 119.739 0.768 1
1 1167 . 4 1 1 A 97 97 HIS H H 92 8.541 9.081 -0.540 1
1 1168 . 4 1 1 A 97 97 HIS CA C 92 55.068 54.607 0.461 1
1 1169 . 4 1 1 A 97 97 HIS HA H 92 4.707 4.890 -0.183 1
1 1170 . 4 1 1 A 97 97 HIS CB C 92 28.839 29.042 -0.203 1
1 1173 . 4 1 1 A 97 97 HIS C C 92 174.186 174.298 -0.112 1
1 1174 . 4 1 1 A 98 98 SER N N 93 116.801 111.037 5.764 1
1 1175 . 4 1 1 A 98 98 SER H H 93 8.455 8.224 0.231 1
1 1176 . 4 1 1 A 98 98 SER CA C 93 58.046 59.332 -1.286 1
1 1177 . 4 1 1 A 98 98 SER HA H 93 4.450 4.091 0.359 1
1 1178 . 4 1 1 A 98 98 SER CB C 93 63.434 61.566 1.868 1
1 1181 . 4 1 1 A 98 98 SER C C 93 174.553 173.899 0.654 1
1 1182 . 4 1 1 A 99 99 GLY N N 94 111.114 111.058 0.056 1
1 1183 . 4 1 1 A 99 99 GLY H H 94 8.597 8.433 0.164 1
1 1184 . 4 1 1 A 99 99 GLY CA C 94 44.888 45.177 -0.289 1
1 1185 . 4 1 1 A 99 99 GLY HA2 H 94 3.998 4.063 -0.065 1
1 1186 . 4 1 1 A 99 99 GLY HA3 H 94 3.998 4.182 -0.184 1
1 1187 . 4 1 1 A 99 99 GLY C C 94 173.856 174.641 -0.785 1
1 1188 . 4 1 1 A 100 100 SER N N 95 115.398 113.341 2.057 1
1 1189 . 4 1 1 A 100 100 SER H H 95 8.311 8.083 0.228 1
1 1190 . 4 1 1 A 100 100 SER CA C 95 57.909 57.488 0.421 1
1 1191 . 4 1 1 A 100 100 SER HA H 95 4.422 4.795 -0.373 1
1 1192 . 4 1 1 A 100 100 SER CB C 95 63.377 63.962 -0.585 1
1 1195 . 4 1 1 A 100 100 SER C C 95 173.695 174.473 -0.778 1
1 1196 . 4 1 1 A 101 101 ASP N N 96 121.810 120.414 1.396 1
1 1197 . 4 1 1 A 101 101 ASP H H 96 8.380 8.144 0.236 1
1 1198 . 4 1 1 A 101 101 ASP CA C 96 53.797 54.294 -0.497 1
1 1199 . 4 1 1 A 101 101 ASP HA H 96 4.546 4.903 -0.357 1
1 1200 . 4 1 1 A 101 101 ASP CB C 96 40.440 42.238 -1.798 1
1 1203 . 4 1 1 A 101 101 ASP C C 96 175.547 176.459 -0.912 1
1 1204 . 4 1 1 A 102 102 PHE N N 97 120.706 117.193 3.513 1
1 1205 . 4 1 1 A 102 102 PHE H H 97 8.249 8.140 0.109 1
1 1206 . 4 1 1 A 102 102 PHE CA C 97 57.444 57.288 0.156 1
1 1207 . 4 1 1 A 102 102 PHE HA H 97 4.546 4.634 -0.088 1
1 1208 . 4 1 1 A 102 102 PHE CB C 97 38.772 38.765 0.007 1
1 1214 . 4 1 1 A 102 102 PHE C C 97 175.312 175.337 -0.025 1
1 1215 . 4 1 1 A 103 103 SER N N 98 116.992 117.051 -0.059 1
1 1216 . 4 1 1 A 103 103 SER H H 98 8.167 7.813 0.354 1
1 1217 . 4 1 1 A 103 103 SER CA C 98 57.983 57.259 0.724 1
1 1218 . 4 1 1 A 103 103 SER HA H 98 4.314 4.850 -0.536 1
1 1219 . 4 1 1 A 103 103 SER CB C 98 63.384 62.112 1.272 1
1 1222 . 4 1 1 A 103 103 SER C C 98 173.286 174.623 -1.337 1
1 1223 . 4 1 1 A 104 104 PHE N N 99 122.000 121.830 0.170 1
1 1224 . 4 1 1 A 104 104 PHE H H 99 8.170 8.609 -0.439 1
1 1225 . 4 1 1 A 104 104 PHE CA C 99 57.354 58.539 -1.185 1
1 1226 . 4 1 1 A 104 104 PHE HA H 99 4.545 4.140 0.405 1
1 1227 . 4 1 1 A 104 104 PHE CB C 99 39.045 37.118 1.927 1
1 1233 . 4 1 1 A 104 104 PHE C C 99 174.621 175.629 -1.008 1
1 1234 . 4 1 1 A 105 105 ARG N N 100 124.796 117.274 7.522 1
1 1235 . 4 1 1 A 105 105 ARG H H 100 8.101 7.704 0.397 1
1 1236 . 4 1 1 A 105 105 ARG CA C 100 52.919 55.289 -2.370 1
1 1237 . 4 1 1 A 105 105 ARG HA H 100 4.542 4.452 0.090 1
1 1238 . 4 1 1 A 105 105 ARG CB C 100 29.973 30.529 -0.556 1
1 1247 . 4 1 1 A 105 105 ARG C C 100 172.924 175.440 -2.516 1
1 1249 . 4 1 1 A 106 106 PRO CA C 101 62.366 62.660 -0.294 1
1 1250 . 4 1 1 A 106 106 PRO HA H 101 4.349 4.518 -0.169 1
1 1251 . 4 1 1 A 106 106 PRO CB C 101 31.609 30.577 1.032 1
1 1259 . 4 1 1 A 106 106 PRO C C 101 176.395 176.120 0.275 1
1 1260 . 4 1 1 A 107 107 ILE N N 102 121.380 123.670 -2.290 1
1 1261 . 4 1 1 A 107 107 ILE H H 102 8.350 8.075 0.275 1
1 1262 . 4 1 1 A 107 107 ILE CA C 102 60.925 60.456 0.469 1
1 1263 . 4 1 1 A 107 107 ILE HA H 102 4.050 4.436 -0.386 1
1 1264 . 4 1 1 A 107 107 ILE CB C 102 38.165 38.396 -0.231 1
1 1277 . 4 1 1 A 107 107 ILE C C 102 175.990 175.277 0.713 1
1 1278 . 4 1 1 A 108 108 GLU N N 103 124.836 118.173 6.663 1
1 1279 . 4 1 1 A 108 108 GLU H H 103 8.578 8.004 0.574 1
1 1280 . 4 1 1 A 108 108 GLU CA C 103 55.915 57.485 -1.570 1
1 1281 . 4 1 1 A 108 108 GLU HA H 103 4.279 3.858 0.421 1
1 1282 . 4 1 1 A 108 108 GLU CB C 103 29.902 27.440 2.462 1
1 1288 . 4 1 1 A 108 108 GLU C C 103 175.678 175.401 0.277 1
1 1289 . 4 1 1 A 109 109 GLU N N 104 122.847 119.342 3.505 1
1 1290 . 4 1 1 A 109 109 GLU H H 104 8.459 8.124 0.335 1
1 1291 . 4 1 1 A 109 109 GLU CA C 104 55.845 55.288 0.557 1
1 1292 . 4 1 1 A 109 109 GLU HA H 104 4.273 4.444 -0.171 1
1 1293 . 4 1 1 A 109 109 GLU CB C 104 29.990 27.874 2.116 1
1 1299 . 4 1 1 A 109 109 GLU C C 104 174.661 175.839 -1.178 1
1 3 . 5 1 1 A 2 2 SER N N -4 115.528 110.145 5.383 1
1 4 . 5 1 1 A 2 2 SER H H -4 8.751 7.947 0.804 1
1 5 . 5 1 1 A 2 2 SER CA C -4 57.819 58.113 -0.294 1
1 6 . 5 1 1 A 2 2 SER HA H -4 4.461 4.416 0.045 1
1 7 . 5 1 1 A 2 2 SER CB C -4 63.389 64.295 -0.906 1
1 8 . 5 1 1 A 2 2 SER C C -4 173.924 173.791 0.133 1
1 9 . 5 1 1 A 3 3 HIS N N -3 120.998 116.297 4.701 1
1 10 . 5 1 1 A 3 3 HIS H H -3 8.769 7.937 0.832 1
1 11 . 5 1 1 A 3 3 HIS CA C -3 55.238 54.583 0.655 1
1 12 . 5 1 1 A 3 3 HIS HA H -3 4.703 4.918 -0.215 1
1 13 . 5 1 1 A 3 3 HIS CB C -3 28.916 30.733 -1.817 1
1 16 . 5 1 1 A 3 3 HIS C C -3 174.207 172.932 1.275 1
1 17 . 5 1 1 A 4 4 MET N N -2 122.227 123.954 -1.727 1
1 18 . 5 1 1 A 4 4 MET H H -2 8.518 8.639 -0.121 1
1 19 . 5 1 1 A 4 4 MET CA C -2 55.003 54.283 0.720 1
1 20 . 5 1 1 A 4 4 MET HA H -2 4.420 4.779 -0.359 1
1 21 . 5 1 1 A 4 4 MET CB C -2 32.578 33.276 -0.698 1
1 31 . 5 1 1 A 4 4 MET C C -2 175.475 175.633 -0.158 1
1 49 . 5 1 1 A 7 7 ALA N N 2 124.543 122.770 1.773 1
1 50 . 5 1 1 A 7 7 ALA H H 2 8.453 8.289 0.164 1
1 51 . 5 1 1 A 7 7 ALA CA C 2 53.203 54.943 -1.740 1
1 52 . 5 1 1 A 7 7 ALA HA H 2 4.211 4.046 0.165 1
1 56 . 5 1 1 A 7 7 ALA CB C 2 18.387 18.189 0.198 1
1 57 . 5 1 1 A 7 7 ALA C C 2 178.091 178.960 -0.869 1
1 58 . 5 1 1 A 8 8 ASP N N 3 118.618 118.807 -0.189 1
1 59 . 5 1 1 A 8 8 ASP H H 3 8.064 8.003 0.061 1
1 60 . 5 1 1 A 8 8 ASP CA C 3 54.381 57.098 -2.717 1
1 61 . 5 1 1 A 8 8 ASP HA H 3 4.551 4.404 0.147 1
1 62 . 5 1 1 A 8 8 ASP CB C 3 40.446 41.025 -0.579 1
1 65 . 5 1 1 A 8 8 ASP C C 3 176.662 178.452 -1.790 1
1 66 . 5 1 1 A 9 9 LEU N N 4 123.427 120.500 2.927 1
1 67 . 5 1 1 A 9 9 LEU H H 4 8.202 7.644 0.558 1
1 68 . 5 1 1 A 9 9 LEU CA C 4 57.491 57.947 -0.456 1
1 69 . 5 1 1 A 9 9 LEU HA H 4 4.084 4.050 0.034 1
1 70 . 5 1 1 A 9 9 LEU CB C 4 41.745 41.639 0.106 1
1 80 . 5 1 1 A 9 9 LEU C C 4 178.873 178.716 0.157 1
1 81 . 5 1 1 A 10 10 VAL N N 5 119.385 119.211 0.174 1
1 82 . 5 1 1 A 10 10 VAL H H 5 8.186 8.365 -0.179 1
1 83 . 5 1 1 A 10 10 VAL CA C 5 66.686 66.642 0.044 1
1 84 . 5 1 1 A 10 10 VAL HA H 5 3.435 3.497 -0.062 1
1 85 . 5 1 1 A 10 10 VAL CB C 5 31.135 31.554 -0.419 1
1 95 . 5 1 1 A 10 10 VAL C C 5 177.408 178.199 -0.791 1
1 96 . 5 1 1 A 11 11 SER N N 6 115.027 115.509 -0.482 1
1 97 . 5 1 1 A 11 11 SER H H 6 8.252 8.085 0.167 1
1 98 . 5 1 1 A 11 11 SER CA C 6 61.229 61.638 -0.409 1
1 99 . 5 1 1 A 11 11 SER HA H 6 4.068 4.030 0.038 1
1 100 . 5 1 1 A 11 11 SER CB C 6 62.054 62.883 -0.829 1
1 103 . 5 1 1 A 11 11 SER C C 6 176.036 177.149 -1.113 1
1 104 . 5 1 1 A 12 12 SER N N 7 115.144 115.217 -0.073 1
1 105 . 5 1 1 A 12 12 SER H H 7 8.053 7.975 0.078 1
1 106 . 5 1 1 A 12 12 SER CA C 7 60.212 61.643 -1.431 1
1 107 . 5 1 1 A 12 12 SER HA H 7 4.309 4.095 0.214 1
1 108 . 5 1 1 A 12 12 SER CB C 7 62.720 62.888 -0.168 1
1 111 . 5 1 1 A 12 12 SER C C 7 176.540 177.290 -0.750 1
1 112 . 5 1 1 A 13 13 CYS N N 8 118.211 119.141 -0.930 1
1 113 . 5 1 1 A 13 13 CYS H H 8 7.919 8.406 -0.487 1
1 114 . 5 1 1 A 13 13 CYS CA C 8 63.729 64.013 -0.284 1
1 115 . 5 1 1 A 13 13 CYS HA H 8 4.046 4.150 -0.104 1
1 116 . 5 1 1 A 13 13 CYS CB C 8 26.703 26.870 -0.167 1
1 119 . 5 1 1 A 13 13 CYS C C 8 175.645 177.075 -1.430 1
1 120 . 5 1 1 A 14 14 LYS N N 9 120.074 121.356 -1.282 1
1 121 . 5 1 1 A 14 14 LYS H H 9 8.632 8.104 0.528 1
1 122 . 5 1 1 A 14 14 LYS CA C 9 60.438 59.674 0.764 1
1 123 . 5 1 1 A 14 14 LYS HA H 9 3.668 3.974 -0.306 1
1 124 . 5 1 1 A 14 14 LYS CB C 9 31.655 32.050 -0.395 1
1 136 . 5 1 1 A 14 14 LYS C C 9 177.590 177.851 -0.261 1
1 137 . 5 1 1 A 15 15 ASP N N 10 117.611 119.492 -1.881 1
1 138 . 5 1 1 A 15 15 ASP H H 10 7.732 8.157 -0.425 1
1 139 . 5 1 1 A 15 15 ASP CA C 10 56.325 57.331 -1.006 1
1 140 . 5 1 1 A 15 15 ASP HA H 10 4.320 4.229 0.091 1
1 141 . 5 1 1 A 15 15 ASP CB C 10 40.092 41.639 -1.547 1
1 144 . 5 1 1 A 15 15 ASP C C 10 177.731 178.539 -0.808 1
1 145 . 5 1 1 A 16 16 LYS N N 11 117.878 119.167 -1.289 1
1 146 . 5 1 1 A 16 16 LYS H H 11 7.254 7.816 -0.562 1
1 147 . 5 1 1 A 16 16 LYS CA C 11 58.984 59.040 -0.056 1
1 148 . 5 1 1 A 16 16 LYS HA H 11 3.662 3.666 -0.004 1
1 149 . 5 1 1 A 16 16 LYS CB C 11 32.933 32.079 0.854 1
1 158 . 5 1 1 A 16 16 LYS C C 11 177.350 178.282 -0.932 1
1 159 . 5 1 1 A 17 17 LEU N N 12 115.652 121.729 -6.077 1
1 160 . 5 1 1 A 17 17 LEU H H 12 8.138 8.482 -0.344 1
1 161 . 5 1 1 A 17 17 LEU CA C 12 56.722 58.132 -1.410 1
1 162 . 5 1 1 A 17 17 LEU HA H 12 3.588 4.221 -0.633 1
1 163 . 5 1 1 A 17 17 LEU CB C 12 41.870 41.514 0.356 1
1 174 . 5 1 1 A 17 17 LEU C C 12 177.545 178.539 -0.994 1
1 175 . 5 1 1 A 18 18 ALA N N 13 116.045 120.863 -4.818 1
1 176 . 5 1 1 A 18 18 ALA H H 13 7.080 8.538 -1.458 1
1 177 . 5 1 1 A 18 18 ALA CA C 13 53.475 54.604 -1.129 1
1 178 . 5 1 1 A 18 18 ALA HA H 13 3.984 4.113 -0.129 1
1 182 . 5 1 1 A 18 18 ALA CB C 13 18.121 18.501 -0.380 1
1 183 . 5 1 1 A 18 18 ALA C C 13 178.298 179.795 -1.497 1
1 184 . 5 1 1 A 19 19 TYR N N 14 115.556 119.064 -3.508 1
1 185 . 5 1 1 A 19 19 TYR H H 14 7.675 7.594 0.081 1
1 186 . 5 1 1 A 19 19 TYR CA C 14 58.741 59.677 -0.936 1
1 187 . 5 1 1 A 19 19 TYR HA H 14 4.323 4.153 0.170 1
1 188 . 5 1 1 A 19 19 TYR CB C 14 38.610 39.053 -0.443 1
1 193 . 5 1 1 A 19 19 TYR C C 14 176.007 175.837 0.170 1
1 194 . 5 1 1 A 20 20 PHE N N 15 118.275 119.525 -1.250 1
1 195 . 5 1 1 A 20 20 PHE H H 15 7.406 7.635 -0.229 1
1 196 . 5 1 1 A 20 20 PHE CA C 15 56.542 56.787 -0.245 1
1 197 . 5 1 1 A 20 20 PHE HA H 15 4.652 4.830 -0.178 1
1 198 . 5 1 1 A 20 20 PHE CB C 15 38.561 40.707 -2.146 1
1 202 . 5 1 1 A 20 20 PHE C C 15 176.160 175.990 0.170 1
1 203 . 5 1 1 A 21 21 ARG N N 16 119.140 124.177 -5.037 1
1 204 . 5 1 1 A 21 21 ARG H H 16 8.714 8.363 0.351 1
1 205 . 5 1 1 A 21 21 ARG CA C 16 54.474 56.101 -1.627 1
1 206 . 5 1 1 A 21 21 ARG HA H 16 4.747 4.267 0.480 1
1 207 . 5 1 1 A 21 21 ARG CB C 16 30.097 31.690 -1.593 1
1 223 . 5 1 1 A 21 21 ARG C C 16 177.095 177.628 -0.533 1
1 224 . 5 1 1 A 22 22 ILE N N 17 120.734 124.939 -4.205 1
1 225 . 5 1 1 A 22 22 ILE H H 17 8.708 8.814 -0.106 1
1 226 . 5 1 1 A 22 22 ILE CA C 17 65.114 64.739 0.375 1
1 227 . 5 1 1 A 22 22 ILE HA H 17 3.740 3.723 0.017 1
1 228 . 5 1 1 A 22 22 ILE CB C 17 36.768 37.605 -0.837 1
1 241 . 5 1 1 A 22 22 ILE C C 17 176.639 177.917 -1.278 1
1 242 . 5 1 1 A 23 23 LYS N N 18 118.184 121.564 -3.380 1
1 243 . 5 1 1 A 23 23 LYS H H 18 8.267 8.242 0.025 1
1 244 . 5 1 1 A 23 23 LYS CA C 18 59.978 59.909 0.069 1
1 245 . 5 1 1 A 23 23 LYS HA H 18 3.909 3.919 -0.010 1
1 246 . 5 1 1 A 23 23 LYS CB C 18 32.191 32.325 -0.134 1
1 258 . 5 1 1 A 23 23 LYS C C 18 178.185 178.749 -0.564 1
1 259 . 5 1 1 A 24 24 GLU N N 19 117.651 119.189 -1.538 1
1 260 . 5 1 1 A 24 24 GLU H H 19 7.198 7.914 -0.716 1
1 261 . 5 1 1 A 24 24 GLU CA C 19 60.601 59.224 1.377 1
1 262 . 5 1 1 A 24 24 GLU HA H 19 4.056 4.031 0.025 1
1 263 . 5 1 1 A 24 24 GLU CB C 19 28.859 29.498 -0.639 1
1 269 . 5 1 1 A 24 24 GLU C C 19 178.542 179.315 -0.773 1
1 270 . 5 1 1 A 25 25 LEU N N 20 119.236 120.213 -0.977 1
1 271 . 5 1 1 A 25 25 LEU H H 20 7.980 8.323 -0.343 1
1 272 . 5 1 1 A 25 25 LEU CA C 20 57.812 57.956 -0.144 1
1 273 . 5 1 1 A 25 25 LEU HA H 20 3.947 4.023 -0.076 1
1 274 . 5 1 1 A 25 25 LEU CB C 20 42.172 40.560 1.612 1
1 281 . 5 1 1 A 25 25 LEU C C 20 178.081 179.038 -0.957 1
1 282 . 5 1 1 A 26 26 LYS N N 21 117.457 121.234 -3.777 1
1 283 . 5 1 1 A 26 26 LYS H H 21 8.770 8.417 0.353 1
1 284 . 5 1 1 A 26 26 LYS CA C 21 60.741 59.879 0.862 1
1 285 . 5 1 1 A 26 26 LYS HA H 21 3.806 3.977 -0.171 1
1 286 . 5 1 1 A 26 26 LYS CB C 21 31.876 32.177 -0.301 1
1 287 . 5 1 1 A 26 26 LYS C C 21 177.659 178.751 -1.092 1
1 288 . 5 1 1 A 27 27 ASP N N 22 119.023 119.800 -0.777 1
1 289 . 5 1 1 A 27 27 ASP H H 22 7.671 8.008 -0.337 1
1 290 . 5 1 1 A 27 27 ASP CA C 22 56.971 57.175 -0.204 1
1 291 . 5 1 1 A 27 27 ASP HA H 22 4.409 4.472 -0.063 1
1 292 . 5 1 1 A 27 27 ASP CB C 22 40.196 40.692 -0.496 1
1 295 . 5 1 1 A 27 27 ASP C C 22 180.796 178.808 1.988 1
1 296 . 5 1 1 A 28 28 ILE N N 23 119.318 120.188 -0.870 1
1 297 . 5 1 1 A 28 28 ILE H H 23 8.039 7.781 0.258 1
1 298 . 5 1 1 A 28 28 ILE CA C 23 65.328 65.675 -0.347 1
1 299 . 5 1 1 A 28 28 ILE HA H 23 3.601 3.649 -0.048 1
1 300 . 5 1 1 A 28 28 ILE CB C 23 37.309 38.180 -0.871 1
1 313 . 5 1 1 A 28 28 ILE C C 23 177.251 178.297 -1.046 1
1 314 . 5 1 1 A 29 29 LEU N N 24 120.356 121.342 -0.986 1
1 315 . 5 1 1 A 29 29 LEU H H 24 8.220 8.505 -0.285 1
1 316 . 5 1 1 A 29 29 LEU CA C 24 58.535 58.322 0.213 1
1 317 . 5 1 1 A 29 29 LEU HA H 24 3.824 4.029 -0.205 1
1 318 . 5 1 1 A 29 29 LEU CB C 24 39.478 41.334 -1.856 1
1 326 . 5 1 1 A 29 29 LEU C C 24 178.599 178.335 0.264 1
1 327 . 5 1 1 A 30 30 ASN N N 25 117.446 117.288 0.158 1
1 328 . 5 1 1 A 30 30 ASN H H 25 8.687 8.466 0.221 1
1 329 . 5 1 1 A 30 30 ASN CA C 25 56.241 57.111 -0.870 1
1 330 . 5 1 1 A 30 30 ASN HA H 25 4.520 4.364 0.156 1
1 331 . 5 1 1 A 30 30 ASN CB C 25 38.899 38.911 -0.012 1
1 338 . 5 1 1 A 30 30 ASN C C 25 178.958 177.725 1.233 1
1 339 . 5 1 1 A 31 31 GLN N N 26 119.946 117.740 2.206 1
1 340 . 5 1 1 A 31 31 GLN H H 26 8.184 7.734 0.450 1
1 341 . 5 1 1 A 31 31 GLN CA C 26 58.779 58.745 0.034 1
1 342 . 5 1 1 A 31 31 GLN HA H 26 4.055 4.055 0.000 1
1 343 . 5 1 1 A 31 31 GLN CB C 26 29.109 28.376 0.733 1
1 353 . 5 1 1 A 31 31 GLN C C 26 177.586 179.176 -1.590 1
1 354 . 5 1 1 A 32 32 LEU N N 27 116.979 115.291 1.688 1
1 355 . 5 1 1 A 32 32 LEU H H 27 7.893 7.723 0.170 1
1 356 . 5 1 1 A 32 32 LEU CA C 27 54.393 55.025 -0.632 1
1 357 . 5 1 1 A 32 32 LEU HA H 27 4.240 4.282 -0.042 1
1 358 . 5 1 1 A 32 32 LEU CB C 27 42.566 42.698 -0.132 1
1 369 . 5 1 1 A 32 32 LEU C C 27 175.693 177.598 -1.905 1
1 370 . 5 1 1 A 33 33 GLY N N 28 108.299 109.245 -0.946 1
1 371 . 5 1 1 A 33 33 GLY H H 28 7.834 7.426 0.408 1
1 372 . 5 1 1 A 33 33 GLY CA C 28 45.707 44.934 0.773 1
1 373 . 5 1 1 A 33 33 GLY HA2 H 28 3.952 4.019 -0.067 1
1 374 . 5 1 1 A 33 33 GLY HA3 H 28 3.952 4.021 -0.069 1
1 375 . 5 1 1 A 33 33 GLY C C 28 174.317 174.663 -0.346 1
1 376 . 5 1 1 A 34 34 LEU N N 29 120.833 116.317 4.516 1
1 377 . 5 1 1 A 34 34 LEU H H 29 7.986 8.538 -0.552 1
1 378 . 5 1 1 A 34 34 LEU CA C 29 51.600 55.536 -3.936 1
1 379 . 5 1 1 A 34 34 LEU HA H 29 4.760 4.111 0.649 1
1 380 . 5 1 1 A 34 34 LEU CB C 29 43.531 41.046 2.485 1
1 392 . 5 1 1 A 35 35 PRO CA C 30 62.741 62.344 0.397 1
1 393 . 5 1 1 A 35 35 PRO HA H 30 4.365 4.576 -0.211 1
1 394 . 5 1 1 A 35 35 PRO CB C 30 31.856 33.125 -1.269 1
1 402 . 5 1 1 A 35 35 PRO C C 30 177.334 176.469 0.865 1
1 403 . 5 1 1 A 36 36 LYS N N 31 117.589 119.420 -1.831 1
1 404 . 5 1 1 A 36 36 LYS H H 31 8.380 9.065 -0.685 1
1 405 . 5 1 1 A 36 36 LYS CA C 31 55.569 57.823 -2.254 1
1 406 . 5 1 1 A 36 36 LYS HA H 31 4.288 4.075 0.213 1
1 407 . 5 1 1 A 36 36 LYS CB C 31 33.225 32.807 0.418 1
1 417 . 5 1 1 A 36 36 LYS C C 31 174.406 175.964 -1.558 1
1 418 . 5 1 1 A 37 37 GLN N N 32 118.260 117.160 1.100 1
1 419 . 5 1 1 A 37 37 GLN H H 32 7.698 7.735 -0.037 1
1 420 . 5 1 1 A 37 37 GLN CA C 32 55.716 53.932 1.784 1
1 421 . 5 1 1 A 37 37 GLN HA H 32 4.392 4.842 -0.450 1
1 422 . 5 1 1 A 37 37 GLN CB C 32 28.251 31.892 -3.641 1
1 432 . 5 1 1 A 37 37 GLN C C 32 175.122 174.756 0.366 1
1 433 . 5 1 1 A 38 38 GLY N N 33 109.855 109.013 0.842 1
1 434 . 5 1 1 A 38 38 GLY H H 33 8.449 8.279 0.170 1
1 435 . 5 1 1 A 38 38 GLY CA C 33 43.315 45.692 -2.377 1
1 436 . 5 1 1 A 38 38 GLY HA2 H 33 4.600 4.185 0.415 1
1 437 . 5 1 1 A 38 38 GLY HA3 H 33 3.803 4.186 -0.383 1
1 438 . 5 1 1 A 38 38 GLY C C 33 173.537 173.951 -0.414 1
1 439 . 5 1 1 A 39 39 LYS N N 34 117.627 118.525 -0.898 1
1 440 . 5 1 1 A 39 39 LYS H H 34 8.649 7.470 1.179 1
1 441 . 5 1 1 A 39 39 LYS CA C 34 54.916 56.016 -1.100 1
1 442 . 5 1 1 A 39 39 LYS HA H 34 4.395 4.479 -0.084 1
1 443 . 5 1 1 A 39 39 LYS CB C 34 32.893 33.435 -0.542 1
1 455 . 5 1 1 A 39 39 LYS C C 34 176.803 177.457 -0.654 1
1 456 . 5 1 1 A 40 40 LYS N N 35 121.705 120.572 1.133 1
1 457 . 5 1 1 A 40 40 LYS H H 35 8.920 8.838 0.082 1
1 458 . 5 1 1 A 40 40 LYS CA C 35 61.574 59.417 2.157 1
1 459 . 5 1 1 A 40 40 LYS HA H 35 3.599 3.948 -0.349 1
1 460 . 5 1 1 A 40 40 LYS CB C 35 31.924 32.274 -0.350 1
1 472 . 5 1 1 A 40 40 LYS C C 35 177.366 178.349 -0.983 1
1 473 . 5 1 1 A 41 41 GLN N N 36 114.634 118.424 -3.790 1
1 474 . 5 1 1 A 41 41 GLN H H 36 9.017 7.866 1.151 1
1 475 . 5 1 1 A 41 41 GLN CA C 36 57.636 58.509 -0.873 1
1 476 . 5 1 1 A 41 41 GLN HA H 36 3.731 4.004 -0.273 1
1 477 . 5 1 1 A 41 41 GLN CB C 36 27.865 28.329 -0.464 1
1 487 . 5 1 1 A 41 41 GLN C C 36 176.872 178.812 -1.940 1
1 488 . 5 1 1 A 42 42 ASP N N 37 115.980 120.235 -4.255 1
1 489 . 5 1 1 A 42 42 ASP H H 37 7.047 8.069 -1.022 1
1 490 . 5 1 1 A 42 42 ASP CA C 37 56.593 57.226 -0.633 1
1 491 . 5 1 1 A 42 42 ASP HA H 37 4.297 4.452 -0.155 1
1 492 . 5 1 1 A 42 42 ASP CB C 37 39.839 41.048 -1.209 1
1 495 . 5 1 1 A 42 42 ASP C C 37 178.454 178.900 -0.446 1
1 496 . 5 1 1 A 43 43 LEU N N 38 119.074 120.717 -1.643 1
1 497 . 5 1 1 A 43 43 LEU H H 38 7.725 8.283 -0.558 1
1 498 . 5 1 1 A 43 43 LEU CA C 38 57.713 58.036 -0.323 1
1 499 . 5 1 1 A 43 43 LEU HA H 38 3.787 4.004 -0.217 1
1 500 . 5 1 1 A 43 43 LEU CB C 38 40.214 42.239 -2.025 1
1 513 . 5 1 1 A 43 43 LEU C C 38 177.872 179.093 -1.221 1
1 514 . 5 1 1 A 44 44 ILE N N 39 118.343 118.330 0.013 1
1 515 . 5 1 1 A 44 44 ILE H H 39 7.867 8.111 -0.244 1
1 516 . 5 1 1 A 44 44 ILE CA C 39 66.090 65.762 0.328 1
1 517 . 5 1 1 A 44 44 ILE HA H 39 3.321 3.482 -0.161 1
1 518 . 5 1 1 A 44 44 ILE CB C 39 38.013 37.776 0.237 1
1 528 . 5 1 1 A 44 44 ILE C C 39 177.711 177.685 0.026 1
1 529 . 5 1 1 A 45 45 ASP N N 40 118.533 120.829 -2.296 1
1 530 . 5 1 1 A 45 45 ASP H H 40 8.503 8.280 0.223 1
1 531 . 5 1 1 A 45 45 ASP CA C 40 57.009 57.127 -0.118 1
1 532 . 5 1 1 A 45 45 ASP HA H 40 4.272 4.429 -0.157 1
1 533 . 5 1 1 A 45 45 ASP CB C 40 39.419 41.181 -1.762 1
1 536 . 5 1 1 A 45 45 ASP C C 40 178.392 178.913 -0.521 1
1 537 . 5 1 1 A 46 46 ARG N N 41 120.911 119.043 1.868 1
1 538 . 5 1 1 A 46 46 ARG H H 41 7.717 7.902 -0.185 1
1 539 . 5 1 1 A 46 46 ARG CA C 41 59.048 59.547 -0.499 1
1 540 . 5 1 1 A 46 46 ARG HA H 41 3.991 4.023 -0.032 1
1 541 . 5 1 1 A 46 46 ARG CB C 41 29.817 30.389 -0.572 1
1 550 . 5 1 1 A 46 46 ARG C C 41 177.537 178.407 -0.870 1
1 551 . 5 1 1 A 47 47 VAL N N 42 117.438 119.863 -2.425 1
1 552 . 5 1 1 A 47 47 VAL H H 42 7.445 8.320 -0.875 1
1 553 . 5 1 1 A 47 47 VAL CA C 42 65.881 66.413 -0.532 1
1 554 . 5 1 1 A 47 47 VAL HA H 42 3.442 3.655 -0.213 1
1 555 . 5 1 1 A 47 47 VAL CB C 42 30.931 31.715 -0.784 1
1 565 . 5 1 1 A 47 47 VAL C C 42 177.671 178.282 -0.611 1
1 566 . 5 1 1 A 48 48 LEU N N 43 117.085 117.643 -0.558 1
1 567 . 5 1 1 A 48 48 LEU H H 43 8.466 8.031 0.435 1
1 568 . 5 1 1 A 48 48 LEU CA C 43 57.248 57.687 -0.439 1
1 569 . 5 1 1 A 48 48 LEU HA H 43 3.847 3.976 -0.129 1
1 570 . 5 1 1 A 48 48 LEU CB C 43 40.720 41.067 -0.347 1
1 583 . 5 1 1 A 48 48 LEU C C 43 179.581 179.695 -0.114 1
1 584 . 5 1 1 A 49 49 ALA N N 44 120.479 121.917 -1.438 1
1 585 . 5 1 1 A 49 49 ALA H H 44 7.953 7.945 0.008 1
1 586 . 5 1 1 A 49 49 ALA CA C 44 53.997 55.014 -1.017 1
1 587 . 5 1 1 A 49 49 ALA HA H 44 4.123 4.041 0.082 1
1 591 . 5 1 1 A 49 49 ALA CB C 44 17.631 18.383 -0.752 1
1 592 . 5 1 1 A 49 49 ALA C C 44 178.926 180.574 -1.648 1
1 593 . 5 1 1 A 50 50 LEU N N 45 115.306 119.895 -4.589 1
1 594 . 5 1 1 A 50 50 LEU H H 45 7.428 7.949 -0.521 1
1 595 . 5 1 1 A 50 50 LEU CA C 45 55.652 57.651 -1.999 1
1 596 . 5 1 1 A 50 50 LEU HA H 45 4.219 3.944 0.275 1
1 597 . 5 1 1 A 50 50 LEU CB C 45 41.846 41.942 -0.096 1
1 610 . 5 1 1 A 50 50 LEU C C 45 177.840 179.284 -1.444 1
1 611 . 5 1 1 A 51 51 LEU N N 46 115.880 117.164 -1.284 1
1 612 . 5 1 1 A 51 51 LEU H H 46 7.642 8.010 -0.368 1
1 613 . 5 1 1 A 51 51 LEU CA C 46 54.693 56.538 -1.845 1
1 614 . 5 1 1 A 51 51 LEU HA H 46 4.265 4.038 0.227 1
1 615 . 5 1 1 A 51 51 LEU CB C 46 42.040 41.651 0.389 1
1 625 . 5 1 1 A 51 51 LEU C C 46 176.015 177.720 -1.705 1
1 626 . 5 1 1 A 52 52 THR N N 47 109.201 112.448 -3.247 1
1 627 . 5 1 1 A 52 52 THR H H 47 7.516 7.463 0.053 1
1 628 . 5 1 1 A 52 52 THR CA C 47 60.834 64.444 -3.610 1
1 629 . 5 1 1 A 52 52 THR HA H 47 4.348 4.258 0.090 1
1 630 . 5 1 1 A 52 52 THR CB C 47 69.704 69.203 0.501 1
1 636 . 5 1 1 A 52 52 THR C C 47 173.733 175.393 -1.660 1
1 637 . 5 1 1 A 53 53 ASP N N 48 122.188 120.055 2.133 1
1 638 . 5 1 1 A 53 53 ASP H H 48 8.280 8.384 -0.104 1
1 639 . 5 1 1 A 53 53 ASP CA C 48 54.185 56.631 -2.446 1
1 640 . 5 1 1 A 53 53 ASP HA H 48 4.699 4.349 0.350 1
1 641 . 5 1 1 A 53 53 ASP CB C 48 40.749 40.476 0.273 1
1 645 . 5 1 1 A 53 53 ASP C C 48 176.000 176.616 -0.616 1
1 646 . 5 1 1 A 54 54 GLU N N 49 121.966 118.135 3.831 1
1 647 . 5 1 1 A 54 54 GLU H H 49 8.588 7.631 0.957 1
1 648 . 5 1 1 A 54 54 GLU CA C 49 56.604 55.374 1.230 1
1 649 . 5 1 1 A 54 54 GLU HA H 49 4.229 4.423 -0.194 1
1 650 . 5 1 1 A 54 54 GLU CB C 49 29.642 30.463 -0.821 1
1 656 . 5 1 1 A 54 54 GLU C C 49 176.589 176.440 0.149 1
1 657 . 5 1 1 A 55 55 GLN N N 50 120.727 118.699 2.028 1
1 658 . 5 1 1 A 55 55 GLN H H 50 8.642 7.605 1.037 1
1 659 . 5 1 1 A 55 55 GLN CA C 50 56.165 55.213 0.952 1
1 660 . 5 1 1 A 55 55 GLN HA H 50 4.226 4.005 0.221 1
1 661 . 5 1 1 A 55 55 GLN CB C 50 28.555 28.940 -0.385 1
1 671 . 5 1 1 A 55 55 GLN C C 50 176.554 176.514 0.040 1
1 672 . 5 1 1 A 56 56 GLY N N 51 109.357 108.089 1.268 1
1 673 . 5 1 1 A 56 56 GLY H H 51 8.519 7.753 0.766 1
1 674 . 5 1 1 A 56 56 GLY CA C 51 45.276 46.468 -1.192 1
1 675 . 5 1 1 A 56 56 GLY HA2 H 51 3.951 4.030 -0.079 1
1 676 . 5 1 1 A 56 56 GLY HA3 H 51 3.815 4.182 -0.367 1
1 677 . 5 1 1 A 56 56 GLY C C 51 174.146 175.136 -0.990 1
1 678 . 5 1 1 A 57 57 GLN N N 52 119.207 117.329 1.878 1
1 679 . 5 1 1 A 57 57 GLN H H 52 8.263 8.200 0.063 1
1 680 . 5 1 1 A 57 57 GLN CA C 52 55.650 55.584 0.066 1
1 681 . 5 1 1 A 57 57 GLN HA H 52 4.217 4.493 -0.276 1
1 682 . 5 1 1 A 57 57 GLN CB C 52 28.723 30.115 -1.392 1
1 692 . 5 1 1 A 57 57 GLN C C 52 175.872 176.687 -0.815 1
1 693 . 5 1 1 A 58 58 ARG N N 53 120.525 115.395 5.130 1
1 694 . 5 1 1 A 58 58 ARG H H 53 8.279 8.203 0.076 1
1 695 . 5 1 1 A 58 58 ARG CA C 53 55.854 56.474 -0.620 1
1 696 . 5 1 1 A 58 58 ARG HA H 53 4.204 4.743 -0.539 1
1 697 . 5 1 1 A 58 58 ARG CB C 53 29.944 32.062 -2.118 1
1 708 . 5 1 1 A 58 58 ARG C C 53 175.819 176.012 -0.193 1
1 709 . 5 1 1 A 59 59 HIS N N 54 118.905 118.331 0.574 1
1 710 . 5 1 1 A 59 59 HIS H H 54 8.397 7.801 0.596 1
1 711 . 5 1 1 A 59 59 HIS CA C 54 55.130 55.851 -0.721 1
1 712 . 5 1 1 A 59 59 HIS HA H 54 4.554 5.034 -0.480 1
1 713 . 5 1 1 A 59 59 HIS CB C 54 28.953 31.480 -2.527 1
1 716 . 5 1 1 A 59 59 HIS C C 54 174.248 173.360 0.888 1
1 717 . 5 1 1 A 60 60 HIS N N 55 119.527 116.248 3.279 1
1 718 . 5 1 1 A 60 60 HIS H H 55 8.493 8.312 0.181 1
1 719 . 5 1 1 A 60 60 HIS CA C 55 55.589 54.026 1.563 1
1 720 . 5 1 1 A 60 60 HIS HA H 55 4.553 4.718 -0.165 1
1 721 . 5 1 1 A 60 60 HIS CB C 55 28.913 32.335 -3.422 1
1 724 . 5 1 1 A 60 60 HIS C C 55 174.759 173.831 0.928 1
1 725 . 5 1 1 A 61 61 GLY N N 56 110.215 107.766 2.449 1
1 726 . 5 1 1 A 61 61 GLY H H 56 8.604 7.377 1.227 1
1 727 . 5 1 1 A 61 61 GLY CA C 56 44.977 45.352 -0.375 1
1 728 . 5 1 1 A 61 61 GLY HA2 H 56 3.958 3.588 0.370 1
1 729 . 5 1 1 A 61 61 GLY HA3 H 56 3.833 3.600 0.233 1
1 730 . 5 1 1 A 61 61 GLY C C 56 173.752 174.430 -0.678 1
1 731 . 5 1 1 A 62 62 TRP N N 57 120.700 118.082 2.618 1
1 732 . 5 1 1 A 62 62 TRP H H 57 8.175 6.967 1.208 1
1 733 . 5 1 1 A 62 62 TRP CA C 57 56.935 58.357 -1.422 1
1 734 . 5 1 1 A 62 62 TRP HA H 57 4.658 4.828 -0.170 1
1 735 . 5 1 1 A 62 62 TRP CB C 57 29.018 31.129 -2.111 1
1 750 . 5 1 1 A 62 62 TRP C C 57 176.442 177.923 -1.481 1
1 751 . 5 1 1 A 63 63 GLY N N 58 110.195 108.586 1.609 1
1 752 . 5 1 1 A 63 63 GLY H H 58 8.452 8.683 -0.231 1
1 753 . 5 1 1 A 63 63 GLY CA C 58 45.052 45.719 -0.667 1
1 754 . 5 1 1 A 63 63 GLY HA2 H 58 3.925 4.066 -0.141 1
1 755 . 5 1 1 A 63 63 GLY HA3 H 58 3.833 4.123 -0.290 1
1 756 . 5 1 1 A 63 63 GLY C C 58 173.738 174.704 -0.966 1
1 757 . 5 1 1 A 64 64 ARG N N 59 120.374 118.973 1.401 1
1 758 . 5 1 1 A 64 64 ARG H H 59 8.136 8.079 0.057 1
1 759 . 5 1 1 A 64 64 ARG CA C 59 55.779 56.514 -0.735 1
1 760 . 5 1 1 A 64 64 ARG HA H 59 4.287 4.250 0.037 1
1 761 . 5 1 1 A 64 64 ARG CB C 59 30.244 30.652 -0.408 1
1 772 . 5 1 1 A 64 64 ARG C C 59 176.269 176.531 -0.262 1
1 773 . 5 1 1 A 65 65 LYS N N 60 121.590 119.916 1.674 1
1 774 . 5 1 1 A 65 65 LYS H H 60 8.483 7.844 0.639 1
1 775 . 5 1 1 A 65 65 LYS CA C 60 56.435 55.402 1.033 1
1 776 . 5 1 1 A 65 65 LYS HA H 60 4.226 4.530 -0.304 1
1 777 . 5 1 1 A 65 65 LYS CB C 60 32.259 33.708 -1.449 1
1 783 . 5 1 1 A 65 65 LYS C C 60 176.075 175.379 0.696 1
1 784 . 5 1 1 A 66 66 ASN N N 61 118.654 116.201 2.453 1
1 785 . 5 1 1 A 66 66 ASN H H 61 8.413 7.709 0.704 1
1 786 . 5 1 1 A 66 66 ASN CA C 61 53.042 52.754 0.288 1
1 787 . 5 1 1 A 66 66 ASN HA H 61 4.651 4.803 -0.152 1
1 788 . 5 1 1 A 66 66 ASN CB C 61 38.348 38.477 -0.129 1
1 795 . 5 1 1 A 66 66 ASN C C 61 174.530 174.383 0.147 1
1 796 . 5 1 1 A 67 67 SER N N 62 115.494 115.324 0.170 1
1 797 . 5 1 1 A 67 67 SER H H 62 8.289 8.229 0.060 1
1 798 . 5 1 1 A 67 67 SER CA C 62 58.090 57.880 0.210 1
1 799 . 5 1 1 A 67 67 SER HA H 62 4.294 4.699 -0.405 1
1 800 . 5 1 1 A 67 67 SER CB C 62 63.205 64.927 -1.722 1
1 803 . 5 1 1 A 67 67 SER C C 62 173.894 173.822 0.072 1
1 804 . 5 1 1 A 68 68 LEU N N 63 123.552 123.648 -0.096 1
1 805 . 5 1 1 A 68 68 LEU H H 63 8.063 7.646 0.417 1
1 806 . 5 1 1 A 68 68 LEU CA C 63 54.124 54.245 -0.121 1
1 807 . 5 1 1 A 68 68 LEU HA H 63 4.495 4.513 -0.018 1
1 808 . 5 1 1 A 68 68 LEU CB C 63 42.447 39.858 2.589 1
1 821 . 5 1 1 A 68 68 LEU C C 63 176.587 175.114 1.473 1
1 822 . 5 1 1 A 69 69 THR N N 64 112.637 111.326 1.311 1
1 823 . 5 1 1 A 69 69 THR H H 64 7.797 7.917 -0.120 1
1 824 . 5 1 1 A 69 69 THR CA C 64 60.021 59.184 0.837 1
1 825 . 5 1 1 A 69 69 THR HA H 64 4.490 5.105 -0.615 1
1 826 . 5 1 1 A 69 69 THR CB C 64 70.896 72.665 -1.769 1
1 832 . 5 1 1 A 69 69 THR C C 64 174.998 175.281 -0.283 1
1 833 . 5 1 1 A 70 70 LYS N N 65 120.128 121.663 -1.535 1
1 834 . 5 1 1 A 70 70 LYS H H 65 9.059 9.187 -0.128 1
1 835 . 5 1 1 A 70 70 LYS CA C 65 59.374 59.959 -0.585 1
1 836 . 5 1 1 A 70 70 LYS HA H 65 3.941 3.942 -0.001 1
1 837 . 5 1 1 A 70 70 LYS CB C 65 31.830 31.978 -0.148 1
1 843 . 5 1 1 A 70 70 LYS C C 65 177.539 178.672 -1.133 1
1 844 . 5 1 1 A 71 71 GLU N N 66 117.667 120.615 -2.948 1
1 845 . 5 1 1 A 71 71 GLU H H 66 8.699 8.528 0.171 1
1 846 . 5 1 1 A 71 71 GLU CA C 66 60.307 59.430 0.877 1
1 847 . 5 1 1 A 71 71 GLU HA H 66 3.812 4.034 -0.222 1
1 848 . 5 1 1 A 71 71 GLU CB C 66 27.903 29.371 -1.468 1
1 855 . 5 1 1 A 71 71 GLU C C 66 178.499 179.176 -0.677 1
1 856 . 5 1 1 A 72 72 ALA N N 67 123.914 122.775 1.139 1
1 857 . 5 1 1 A 72 72 ALA H H 67 7.991 7.609 0.382 1
1 858 . 5 1 1 A 72 72 ALA CA C 67 54.601 55.003 -0.402 1
1 859 . 5 1 1 A 72 72 ALA HA H 67 4.116 4.098 0.018 1
1 863 . 5 1 1 A 72 72 ALA CB C 67 18.288 18.464 -0.176 1
1 864 . 5 1 1 A 72 72 ALA C C 67 178.721 179.537 -0.816 1
1 865 . 5 1 1 A 73 73 VAL N N 68 119.435 117.853 1.582 1
1 866 . 5 1 1 A 73 73 VAL H H 68 8.045 7.979 0.066 1
1 867 . 5 1 1 A 73 73 VAL CA C 68 66.211 66.595 -0.384 1
1 868 . 5 1 1 A 73 73 VAL HA H 68 3.470 3.553 -0.083 1
1 869 . 5 1 1 A 73 73 VAL CB C 68 31.103 31.522 -0.419 1
1 879 . 5 1 1 A 73 73 VAL C C 68 177.001 178.641 -1.640 1
1 880 . 5 1 1 A 74 74 ALA N N 69 120.667 121.557 -0.890 1
1 881 . 5 1 1 A 74 74 ALA H H 69 8.407 8.051 0.356 1
1 882 . 5 1 1 A 74 74 ALA CA C 69 54.687 55.131 -0.444 1
1 883 . 5 1 1 A 74 74 ALA HA H 69 3.981 4.106 -0.125 1
1 887 . 5 1 1 A 74 74 ALA CB C 69 18.048 18.049 -0.001 1
1 888 . 5 1 1 A 74 74 ALA C C 69 178.865 179.600 -0.735 1
1 889 . 5 1 1 A 75 75 LYS N N 70 118.628 118.096 0.532 1
1 890 . 5 1 1 A 75 75 LYS H H 70 7.930 7.951 -0.021 1
1 891 . 5 1 1 A 75 75 LYS CA C 70 58.914 60.080 -1.166 1
1 892 . 5 1 1 A 75 75 LYS HA H 70 4.105 3.991 0.114 1
1 893 . 5 1 1 A 75 75 LYS CB C 70 31.806 32.186 -0.380 1
1 903 . 5 1 1 A 75 75 LYS C C 70 177.409 178.708 -1.299 1
1 904 . 5 1 1 A 76 76 ILE N N 71 120.231 119.670 0.561 1
1 905 . 5 1 1 A 76 76 ILE H H 71 7.478 7.795 -0.317 1
1 906 . 5 1 1 A 76 76 ILE CA C 71 64.835 64.982 -0.147 1
1 907 . 5 1 1 A 76 76 ILE HA H 71 3.973 3.655 0.318 1
1 908 . 5 1 1 A 76 76 ILE CB C 71 37.788 37.952 -0.164 1
1 921 . 5 1 1 A 76 76 ILE C C 71 179.734 177.710 2.024 1
1 922 . 5 1 1 A 77 77 VAL N N 72 122.505 119.564 2.941 1
1 923 . 5 1 1 A 77 77 VAL H H 72 8.325 7.877 0.448 1
1 924 . 5 1 1 A 77 77 VAL CA C 72 67.425 66.705 0.720 1
1 925 . 5 1 1 A 77 77 VAL HA H 72 3.581 3.540 0.041 1
1 926 . 5 1 1 A 77 77 VAL CB C 72 30.885 31.507 -0.622 1
1 936 . 5 1 1 A 77 77 VAL C C 72 176.939 177.308 -0.369 1
1 937 . 5 1 1 A 78 78 ASP N N 73 120.524 120.359 0.165 1
1 938 . 5 1 1 A 78 78 ASP H H 73 8.798 8.128 0.670 1
1 939 . 5 1 1 A 78 78 ASP CA C 73 58.163 57.542 0.621 1
1 940 . 5 1 1 A 78 78 ASP HA H 73 4.392 4.532 -0.140 1
1 941 . 5 1 1 A 78 78 ASP CB C 73 41.459 40.615 0.844 1
1 945 . 5 1 1 A 78 78 ASP C C 73 178.122 178.869 -0.747 1
1 946 . 5 1 1 A 79 79 ASP N N 74 119.762 119.747 0.015 1
1 947 . 5 1 1 A 79 79 ASP H H 74 9.318 8.105 1.213 1
1 948 . 5 1 1 A 79 79 ASP CA C 74 57.122 57.335 -0.213 1
1 949 . 5 1 1 A 79 79 ASP HA H 74 4.405 4.319 0.086 1
1 950 . 5 1 1 A 79 79 ASP CB C 74 39.850 40.715 -0.865 1
1 954 . 5 1 1 A 79 79 ASP C C 74 178.921 178.749 0.172 1
1 955 . 5 1 1 A 80 80 THR N N 75 117.347 116.761 0.586 1
1 956 . 5 1 1 A 80 80 THR H H 75 8.084 7.892 0.192 1
1 957 . 5 1 1 A 80 80 THR CA C 75 67.055 66.315 0.740 1
1 958 . 5 1 1 A 80 80 THR HA H 75 3.846 3.640 0.206 1
1 959 . 5 1 1 A 80 80 THR CB C 75 67.692 67.906 -0.214 1
1 965 . 5 1 1 A 80 80 THR C C 75 175.367 175.567 -0.200 1
1 966 . 5 1 1 A 81 81 TYR N N 76 123.735 121.413 2.322 1
1 967 . 5 1 1 A 81 81 TYR H H 76 8.830 8.202 0.628 1
1 968 . 5 1 1 A 81 81 TYR CA C 76 61.712 61.291 0.421 1
1 969 . 5 1 1 A 81 81 TYR HA H 76 4.269 4.355 -0.086 1
1 970 . 5 1 1 A 81 81 TYR CB C 76 38.639 38.827 -0.188 1
1 974 . 5 1 1 A 81 81 TYR C C 76 176.700 178.006 -1.306 1
1 975 . 5 1 1 A 82 82 ARG N N 77 118.508 119.463 -0.955 1
1 976 . 5 1 1 A 82 82 ARG H H 77 8.755 8.361 0.394 1
1 977 . 5 1 1 A 82 82 ARG CA C 77 58.776 59.524 -0.748 1
1 978 . 5 1 1 A 82 82 ARG HA H 77 3.892 4.026 -0.134 1
1 979 . 5 1 1 A 82 82 ARG CB C 77 29.459 30.257 -0.798 1
1 995 . 5 1 1 A 82 82 ARG C C 77 178.748 178.882 -0.134 1
1 996 . 5 1 1 A 83 83 LYS N N 78 118.075 120.058 -1.983 1
1 997 . 5 1 1 A 83 83 LYS H H 78 7.696 7.876 -0.180 1
1 998 . 5 1 1 A 83 83 LYS CA C 78 58.614 59.060 -0.446 1
1 999 . 5 1 1 A 83 83 LYS HA H 78 4.031 4.019 0.012 1
1 1000 . 5 1 1 A 83 83 LYS CB C 78 32.055 31.877 0.178 1
1 1005 . 5 1 1 A 83 83 LYS C C 78 177.890 178.496 -0.606 1
1 1006 . 5 1 1 A 84 84 MET N N 79 118.233 118.909 -0.676 1
1 1007 . 5 1 1 A 84 84 MET H H 79 7.748 8.074 -0.326 1
1 1008 . 5 1 1 A 84 84 MET CA C 79 57.254 57.651 -0.397 1
1 1009 . 5 1 1 A 84 84 MET HA H 79 4.189 4.321 -0.132 1
1 1010 . 5 1 1 A 84 84 MET CB C 79 32.169 33.209 -1.040 1
1 1020 . 5 1 1 A 84 84 MET C C 79 177.036 176.292 0.744 1
1 1021 . 5 1 1 A 85 85 GLN N N 80 117.242 117.827 -0.585 1
1 1022 . 5 1 1 A 85 85 GLN H H 80 7.843 8.018 -0.175 1
1 1023 . 5 1 1 A 85 85 GLN CA C 80 56.500 54.267 2.233 1
1 1024 . 5 1 1 A 85 85 GLN HA H 80 3.993 4.501 -0.508 1
1 1025 . 5 1 1 A 85 85 GLN CB C 80 28.124 28.481 -0.357 1
1 1035 . 5 1 1 A 85 85 GLN C C 80 176.756 175.448 1.308 1
1 1036 . 5 1 1 A 86 86 ILE N N 81 119.178 124.733 -5.555 1
1 1037 . 5 1 1 A 86 86 ILE H H 81 7.715 8.180 -0.465 1
1 1038 . 5 1 1 A 86 86 ILE CA C 81 61.995 64.700 -2.705 1
1 1039 . 5 1 1 A 86 86 ILE HA H 81 3.948 4.089 -0.141 1
1 1040 . 5 1 1 A 86 86 ILE CB C 81 37.856 38.064 -0.208 1
1 1052 . 5 1 1 A 86 86 ILE C C 81 176.728 176.804 -0.076 1
1 1053 . 5 1 1 A 87 87 GLN N N 82 121.380 120.280 1.100 1
1 1054 . 5 1 1 A 87 87 GLN H H 82 8.164 7.822 0.342 1
1 1055 . 5 1 1 A 87 87 GLN CA C 82 56.075 54.990 1.085 1
1 1056 . 5 1 1 A 87 87 GLN HA H 82 4.227 4.414 -0.187 1
1 1057 . 5 1 1 A 87 87 GLN CB C 82 28.735 28.172 0.563 1
1 1066 . 5 1 1 A 87 87 GLN C C 82 175.836 175.485 0.351 1
1 1067 . 5 1 1 A 88 88 CYS N N 83 118.668 124.500 -5.832 1
1 1068 . 5 1 1 A 88 88 CYS H H 83 8.238 8.398 -0.160 1
1 1069 . 5 1 1 A 88 88 CYS CA C 83 58.012 60.040 -2.028 1
1 1070 . 5 1 1 A 88 88 CYS HA H 83 4.475 4.653 -0.178 1
1 1071 . 5 1 1 A 88 88 CYS CB C 83 27.697 29.465 -1.768 1
1 1074 . 5 1 1 A 88 88 CYS C C 83 173.428 174.743 -1.315 1
1 1075 . 5 1 1 A 89 89 ALA N N 84 127.014 121.713 5.301 1
1 1076 . 5 1 1 A 89 89 ALA H H 84 8.249 7.999 0.250 1
1 1077 . 5 1 1 A 89 89 ALA CA C 84 50.615 52.770 -2.155 1
1 1078 . 5 1 1 A 89 89 ALA HA H 84 4.562 4.098 0.464 1
1 1082 . 5 1 1 A 89 89 ALA CB C 84 17.465 17.270 0.195 1
1 1083 . 5 1 1 A 89 89 ALA C C 84 175.125 178.283 -3.158 1
1 1085 . 5 1 1 A 90 90 PRO CA C 85 63.085 64.078 -0.993 1
1 1086 . 5 1 1 A 90 90 PRO HA H 85 4.386 4.447 -0.061 1
1 1087 . 5 1 1 A 90 90 PRO CB C 85 31.491 32.049 -0.558 1
1 1095 . 5 1 1 A 90 90 PRO C C 85 176.381 177.127 -0.746 1
1 1096 . 5 1 1 A 91 91 ASP N N 86 119.209 118.489 0.720 1
1 1097 . 5 1 1 A 91 91 ASP H H 86 8.429 8.189 0.240 1
1 1098 . 5 1 1 A 91 91 ASP CA C 86 53.752 55.074 -1.322 1
1 1099 . 5 1 1 A 91 91 ASP HA H 86 4.394 4.296 0.098 1
1 1100 . 5 1 1 A 91 91 ASP CB C 86 40.319 39.532 0.787 1
1 1103 . 5 1 1 A 91 91 ASP C C 86 176.101 175.018 1.083 1
1 1104 . 5 1 1 A 92 92 LEU N N 87 122.571 112.209 10.362 1
1 1105 . 5 1 1 A 92 92 LEU H H 87 8.208 8.340 -0.132 1
1 1106 . 5 1 1 A 92 92 LEU CA C 87 55.327 56.407 -1.080 1
1 1107 . 5 1 1 A 92 92 LEU HA H 87 4.205 3.989 0.216 1
1 1108 . 5 1 1 A 92 92 LEU CB C 87 41.636 40.229 1.407 1
1 1121 . 5 1 1 A 92 92 LEU C C 87 177.406 175.985 1.421 1
1 1122 . 5 1 1 A 93 93 ALA N N 88 123.131 114.260 8.871 1
1 1123 . 5 1 1 A 93 93 ALA H H 88 8.305 8.259 0.046 1
1 1124 . 5 1 1 A 93 93 ALA CA C 88 52.823 53.205 -0.382 1
1 1125 . 5 1 1 A 93 93 ALA HA H 88 4.245 3.986 0.259 1
1 1129 . 5 1 1 A 93 93 ALA CB C 88 18.496 17.592 0.904 1
1 1130 . 5 1 1 A 93 93 ALA C C 88 178.033 176.779 1.254 1
1 1131 . 5 1 1 A 94 94 THR N N 89 112.097 102.210 9.887 1
1 1132 . 5 1 1 A 94 94 THR H H 89 7.994 8.050 -0.056 1
1 1133 . 5 1 1 A 94 94 THR CA C 89 61.892 61.732 0.160 1
1 1134 . 5 1 1 A 94 94 THR HA H 89 4.247 4.044 0.203 1
1 1135 . 5 1 1 A 94 94 THR CB C 89 69.076 67.777 1.299 1
1 1141 . 5 1 1 A 94 94 THR C C 89 174.478 174.308 0.170 1
1 1142 . 5 1 1 A 95 95 ARG N N 90 122.704 127.042 -4.338 1
1 1143 . 5 1 1 A 95 95 ARG H H 90 8.211 8.397 -0.186 1
1 1144 . 5 1 1 A 95 95 ARG CA C 90 55.803 55.650 0.153 1
1 1145 . 5 1 1 A 95 95 ARG HA H 90 4.336 4.590 -0.254 1
1 1146 . 5 1 1 A 95 95 ARG CB C 90 30.263 30.244 0.019 1
1 1157 . 5 1 1 A 95 95 ARG C C 90 175.958 176.348 -0.390 1
1 1158 . 5 1 1 A 96 96 SER N N 91 116.390 115.978 0.412 1
1 1159 . 5 1 1 A 96 96 SER H H 91 8.365 7.849 0.516 1
1 1160 . 5 1 1 A 96 96 SER CA C 91 58.011 60.654 -2.643 1
1 1161 . 5 1 1 A 96 96 SER HA H 91 4.383 4.075 0.308 1
1 1162 . 5 1 1 A 96 96 SER CB C 91 63.261 62.985 0.276 1
1 1165 . 5 1 1 A 96 96 SER C C 91 174.016 177.129 -3.113 1
1 1166 . 5 1 1 A 97 97 HIS N N 92 120.507 118.923 1.584 1
1 1167 . 5 1 1 A 97 97 HIS H H 92 8.541 7.669 0.872 1
1 1168 . 5 1 1 A 97 97 HIS CA C 92 55.068 58.564 -3.496 1
1 1169 . 5 1 1 A 97 97 HIS HA H 92 4.707 4.408 0.299 1
1 1170 . 5 1 1 A 97 97 HIS CB C 92 28.839 29.880 -1.041 1
1 1173 . 5 1 1 A 97 97 HIS C C 92 174.186 175.799 -1.613 1
1 1174 . 5 1 1 A 98 98 SER N N 93 116.801 110.112 6.689 1
1 1175 . 5 1 1 A 98 98 SER H H 93 8.455 7.800 0.655 1
1 1176 . 5 1 1 A 98 98 SER CA C 93 58.046 57.865 0.181 1
1 1177 . 5 1 1 A 98 98 SER HA H 93 4.450 4.865 -0.415 1
1 1178 . 5 1 1 A 98 98 SER CB C 93 63.434 65.435 -2.001 1
1 1181 . 5 1 1 A 98 98 SER C C 93 174.553 173.843 0.710 1
1 1182 . 5 1 1 A 99 99 GLY N N 94 111.114 114.443 -3.329 1
1 1183 . 5 1 1 A 99 99 GLY H H 94 8.597 8.815 -0.218 1
1 1184 . 5 1 1 A 99 99 GLY CA C 94 44.888 45.832 -0.944 1
1 1185 . 5 1 1 A 99 99 GLY HA2 H 94 3.998 4.094 -0.096 1
1 1186 . 5 1 1 A 99 99 GLY HA3 H 94 3.998 4.151 -0.153 1
1 1187 . 5 1 1 A 99 99 GLY C C 94 173.856 174.806 -0.950 1
1 1188 . 5 1 1 A 100 100 SER N N 95 115.398 110.568 4.830 1
1 1189 . 5 1 1 A 100 100 SER H H 95 8.311 8.100 0.211 1
1 1190 . 5 1 1 A 100 100 SER CA C 95 57.909 59.993 -2.084 1
1 1191 . 5 1 1 A 100 100 SER HA H 95 4.422 3.938 0.484 1
1 1192 . 5 1 1 A 100 100 SER CB C 95 63.377 61.067 2.310 1
1 1195 . 5 1 1 A 100 100 SER C C 95 173.695 173.836 -0.141 1
1 1196 . 5 1 1 A 101 101 ASP N N 96 121.810 118.378 3.432 1
1 1197 . 5 1 1 A 101 101 ASP H H 96 8.380 8.187 0.193 1
1 1198 . 5 1 1 A 101 101 ASP CA C 96 53.797 53.916 -0.119 1
1 1199 . 5 1 1 A 101 101 ASP HA H 96 4.546 4.715 -0.169 1
1 1200 . 5 1 1 A 101 101 ASP CB C 96 40.440 41.956 -1.516 1
1 1203 . 5 1 1 A 101 101 ASP C C 96 175.547 176.947 -1.400 1
1 1204 . 5 1 1 A 102 102 PHE N N 97 120.706 119.079 1.627 1
1 1205 . 5 1 1 A 102 102 PHE H H 97 8.249 7.769 0.480 1
1 1206 . 5 1 1 A 102 102 PHE CA C 97 57.444 58.109 -0.665 1
1 1207 . 5 1 1 A 102 102 PHE HA H 97 4.546 4.532 0.014 1
1 1208 . 5 1 1 A 102 102 PHE CB C 97 38.772 38.814 -0.042 1
1 1214 . 5 1 1 A 102 102 PHE C C 97 175.312 175.968 -0.656 1
1 1215 . 5 1 1 A 103 103 SER N N 98 116.992 115.357 1.635 1
1 1216 . 5 1 1 A 103 103 SER H H 98 8.167 7.488 0.679 1
1 1217 . 5 1 1 A 103 103 SER CA C 98 57.983 57.163 0.820 1
1 1218 . 5 1 1 A 103 103 SER HA H 98 4.314 4.796 -0.482 1
1 1219 . 5 1 1 A 103 103 SER CB C 98 63.384 63.999 -0.615 1
1 1222 . 5 1 1 A 103 103 SER C C 98 173.286 173.357 -0.071 1
1 1223 . 5 1 1 A 104 104 PHE N N 99 122.000 123.262 -1.262 1
1 1224 . 5 1 1 A 104 104 PHE H H 99 8.170 8.343 -0.173 1
1 1225 . 5 1 1 A 104 104 PHE CA C 99 57.354 56.469 0.885 1
1 1226 . 5 1 1 A 104 104 PHE HA H 99 4.545 4.503 0.042 1
1 1227 . 5 1 1 A 104 104 PHE CB C 99 39.045 38.044 1.001 1
1 1233 . 5 1 1 A 104 104 PHE C C 99 174.621 174.364 0.257 1
1 1234 . 5 1 1 A 105 105 ARG N N 100 124.796 125.928 -1.132 1
1 1235 . 5 1 1 A 105 105 ARG H H 100 8.101 8.169 -0.068 1
1 1236 . 5 1 1 A 105 105 ARG CA C 100 52.919 53.255 -0.336 1
1 1237 . 5 1 1 A 105 105 ARG HA H 100 4.542 4.743 -0.201 1
1 1238 . 5 1 1 A 105 105 ARG CB C 100 29.973 31.086 -1.113 1
1 1247 . 5 1 1 A 105 105 ARG C C 100 172.924 172.991 -0.067 1
1 1249 . 5 1 1 A 106 106 PRO CA C 101 62.366 62.199 0.167 1
1 1250 . 5 1 1 A 106 106 PRO HA H 101 4.349 4.575 -0.226 1
1 1251 . 5 1 1 A 106 106 PRO CB C 101 31.609 33.128 -1.519 1
1 1259 . 5 1 1 A 106 106 PRO C C 101 176.395 176.463 -0.068 1
1 1260 . 5 1 1 A 107 107 ILE N N 102 121.380 120.351 1.029 1
1 1261 . 5 1 1 A 107 107 ILE H H 102 8.350 8.597 -0.247 1
1 1262 . 5 1 1 A 107 107 ILE CA C 102 60.925 60.514 0.411 1
1 1263 . 5 1 1 A 107 107 ILE HA H 102 4.050 4.452 -0.402 1
1 1264 . 5 1 1 A 107 107 ILE CB C 102 38.165 37.742 0.423 1
1 1277 . 5 1 1 A 107 107 ILE C C 102 175.990 175.427 0.563 1
1 1278 . 5 1 1 A 108 108 GLU N N 103 124.836 119.590 5.246 1
1 1279 . 5 1 1 A 108 108 GLU H H 103 8.578 8.426 0.152 1
1 1280 . 5 1 1 A 108 108 GLU CA C 103 55.915 57.822 -1.907 1
1 1281 . 5 1 1 A 108 108 GLU HA H 103 4.279 3.885 0.394 1
1 1282 . 5 1 1 A 108 108 GLU CB C 103 29.902 27.997 1.905 1
1 1288 . 5 1 1 A 108 108 GLU C C 103 175.678 175.905 -0.227 1
1 1289 . 5 1 1 A 109 109 GLU N N 104 122.847 117.361 5.486 1
1 1290 . 5 1 1 A 109 109 GLU H H 104 8.459 8.393 0.066 1
1 1291 . 5 1 1 A 109 109 GLU CA C 104 55.845 57.422 -1.577 1
1 1292 . 5 1 1 A 109 109 GLU HA H 104 4.273 4.009 0.264 1
1 1293 . 5 1 1 A 109 109 GLU CB C 104 29.990 28.160 1.830 1
1 1299 . 5 1 1 A 109 109 GLU C C 104 174.661 176.121 -1.460 1
1 3 . 6 1 1 A 2 2 SER N N -4 115.528 116.174 -0.646 1
1 4 . 6 1 1 A 2 2 SER H H -4 8.751 8.342 0.409 1
1 5 . 6 1 1 A 2 2 SER CA C -4 57.819 56.479 1.340 1
1 6 . 6 1 1 A 2 2 SER HA H -4 4.461 4.972 -0.511 1
1 7 . 6 1 1 A 2 2 SER CB C -4 63.389 66.205 -2.816 1
1 8 . 6 1 1 A 2 2 SER C C -4 173.924 173.176 0.748 1
1 9 . 6 1 1 A 3 3 HIS N N -3 120.998 119.540 1.458 1
1 10 . 6 1 1 A 3 3 HIS H H -3 8.769 8.718 0.051 1
1 11 . 6 1 1 A 3 3 HIS CA C -3 55.238 54.520 0.718 1
1 12 . 6 1 1 A 3 3 HIS HA H -3 4.703 4.898 -0.195 1
1 13 . 6 1 1 A 3 3 HIS CB C -3 28.916 28.296 0.620 1
1 16 . 6 1 1 A 3 3 HIS C C -3 174.207 174.834 -0.627 1
1 17 . 6 1 1 A 4 4 MET N N -2 122.227 118.945 3.282 1
1 18 . 6 1 1 A 4 4 MET H H -2 8.518 7.800 0.718 1
1 19 . 6 1 1 A 4 4 MET CA C -2 55.003 54.929 0.074 1
1 20 . 6 1 1 A 4 4 MET HA H -2 4.420 4.834 -0.414 1
1 21 . 6 1 1 A 4 4 MET CB C -2 32.578 33.413 -0.835 1
1 31 . 6 1 1 A 4 4 MET C C -2 175.475 174.602 0.873 1
1 49 . 6 1 1 A 7 7 ALA N N 2 124.543 122.821 1.722 1
1 50 . 6 1 1 A 7 7 ALA H H 2 8.453 8.152 0.301 1
1 51 . 6 1 1 A 7 7 ALA CA C 2 53.203 54.524 -1.321 1
1 52 . 6 1 1 A 7 7 ALA HA H 2 4.211 4.081 0.130 1
1 56 . 6 1 1 A 7 7 ALA CB C 2 18.387 18.216 0.171 1
1 57 . 6 1 1 A 7 7 ALA C C 2 178.091 179.239 -1.148 1
1 58 . 6 1 1 A 8 8 ASP N N 3 118.618 118.735 -0.117 1
1 59 . 6 1 1 A 8 8 ASP H H 3 8.064 7.890 0.174 1
1 60 . 6 1 1 A 8 8 ASP CA C 3 54.381 56.755 -2.374 1
1 61 . 6 1 1 A 8 8 ASP HA H 3 4.551 4.342 0.209 1
1 62 . 6 1 1 A 8 8 ASP CB C 3 40.446 40.996 -0.550 1
1 65 . 6 1 1 A 8 8 ASP C C 3 176.662 178.194 -1.532 1
1 66 . 6 1 1 A 9 9 LEU N N 4 123.427 120.408 3.019 1
1 67 . 6 1 1 A 9 9 LEU H H 4 8.202 7.919 0.283 1
1 68 . 6 1 1 A 9 9 LEU CA C 4 57.491 57.891 -0.400 1
1 69 . 6 1 1 A 9 9 LEU HA H 4 4.084 4.030 0.054 1
1 70 . 6 1 1 A 9 9 LEU CB C 4 41.745 41.652 0.093 1
1 80 . 6 1 1 A 9 9 LEU C C 4 178.873 178.632 0.241 1
1 81 . 6 1 1 A 10 10 VAL N N 5 119.385 119.210 0.175 1
1 82 . 6 1 1 A 10 10 VAL H H 5 8.186 8.375 -0.189 1
1 83 . 6 1 1 A 10 10 VAL CA C 5 66.686 66.736 -0.050 1
1 84 . 6 1 1 A 10 10 VAL HA H 5 3.435 3.513 -0.078 1
1 85 . 6 1 1 A 10 10 VAL CB C 5 31.135 31.530 -0.395 1
1 95 . 6 1 1 A 10 10 VAL C C 5 177.408 177.631 -0.223 1
1 96 . 6 1 1 A 11 11 SER N N 6 115.027 115.831 -0.804 1
1 97 . 6 1 1 A 11 11 SER H H 6 8.252 8.067 0.185 1
1 98 . 6 1 1 A 11 11 SER CA C 6 61.229 62.109 -0.880 1
1 99 . 6 1 1 A 11 11 SER HA H 6 4.068 4.122 -0.054 1
1 100 . 6 1 1 A 11 11 SER CB C 6 62.054 62.712 -0.658 1
1 103 . 6 1 1 A 11 11 SER C C 6 176.036 176.400 -0.364 1
1 104 . 6 1 1 A 12 12 SER N N 7 115.144 115.966 -0.822 1
1 105 . 6 1 1 A 12 12 SER H H 7 8.053 7.912 0.141 1
1 106 . 6 1 1 A 12 12 SER CA C 7 60.212 61.644 -1.432 1
1 107 . 6 1 1 A 12 12 SER HA H 7 4.309 4.087 0.222 1
1 108 . 6 1 1 A 12 12 SER CB C 7 62.720 62.833 -0.113 1
1 111 . 6 1 1 A 12 12 SER C C 7 176.540 177.285 -0.745 1
1 112 . 6 1 1 A 13 13 CYS N N 8 118.211 119.059 -0.848 1
1 113 . 6 1 1 A 13 13 CYS H H 8 7.919 8.695 -0.776 1
1 114 . 6 1 1 A 13 13 CYS CA C 8 63.729 63.803 -0.074 1
1 115 . 6 1 1 A 13 13 CYS HA H 8 4.046 4.148 -0.102 1
1 116 . 6 1 1 A 13 13 CYS CB C 8 26.703 27.089 -0.386 1
1 119 . 6 1 1 A 13 13 CYS C C 8 175.645 177.030 -1.385 1
1 120 . 6 1 1 A 14 14 LYS N N 9 120.074 121.460 -1.386 1
1 121 . 6 1 1 A 14 14 LYS H H 9 8.632 8.174 0.458 1
1 122 . 6 1 1 A 14 14 LYS CA C 9 60.438 59.480 0.958 1
1 123 . 6 1 1 A 14 14 LYS HA H 9 3.668 4.033 -0.365 1
1 124 . 6 1 1 A 14 14 LYS CB C 9 31.655 32.126 -0.471 1
1 136 . 6 1 1 A 14 14 LYS C C 9 177.590 178.100 -0.510 1
1 137 . 6 1 1 A 15 15 ASP N N 10 117.611 119.665 -2.054 1
1 138 . 6 1 1 A 15 15 ASP H H 10 7.732 8.120 -0.388 1
1 139 . 6 1 1 A 15 15 ASP CA C 10 56.325 57.490 -1.165 1
1 140 . 6 1 1 A 15 15 ASP HA H 10 4.320 4.248 0.072 1
1 141 . 6 1 1 A 15 15 ASP CB C 10 40.092 41.862 -1.770 1
1 144 . 6 1 1 A 15 15 ASP C C 10 177.731 178.707 -0.976 1
1 145 . 6 1 1 A 16 16 LYS N N 11 117.878 119.330 -1.452 1
1 146 . 6 1 1 A 16 16 LYS H H 11 7.254 7.708 -0.454 1
1 147 . 6 1 1 A 16 16 LYS CA C 11 58.984 59.178 -0.194 1
1 148 . 6 1 1 A 16 16 LYS HA H 11 3.662 3.848 -0.186 1
1 149 . 6 1 1 A 16 16 LYS CB C 11 32.933 32.171 0.762 1
1 158 . 6 1 1 A 16 16 LYS C C 11 177.350 178.636 -1.286 1
1 159 . 6 1 1 A 17 17 LEU N N 12 115.652 121.963 -6.311 1
1 160 . 6 1 1 A 17 17 LEU H H 12 8.138 8.508 -0.370 1
1 161 . 6 1 1 A 17 17 LEU CA C 12 56.722 58.090 -1.368 1
1 162 . 6 1 1 A 17 17 LEU HA H 12 3.588 4.200 -0.612 1
1 163 . 6 1 1 A 17 17 LEU CB C 12 41.870 41.525 0.345 1
1 174 . 6 1 1 A 17 17 LEU C C 12 177.545 178.640 -1.095 1
1 175 . 6 1 1 A 18 18 ALA N N 13 116.045 120.956 -4.911 1
1 176 . 6 1 1 A 18 18 ALA H H 13 7.080 8.579 -1.499 1
1 177 . 6 1 1 A 18 18 ALA CA C 13 53.475 54.987 -1.512 1
1 178 . 6 1 1 A 18 18 ALA HA H 13 3.984 4.124 -0.140 1
1 182 . 6 1 1 A 18 18 ALA CB C 13 18.121 18.497 -0.376 1
1 183 . 6 1 1 A 18 18 ALA C C 13 178.298 179.433 -1.135 1
1 184 . 6 1 1 A 19 19 TYR N N 14 115.556 118.927 -3.371 1
1 185 . 6 1 1 A 19 19 TYR H H 14 7.675 7.699 -0.024 1
1 186 . 6 1 1 A 19 19 TYR CA C 14 58.741 59.583 -0.842 1
1 187 . 6 1 1 A 19 19 TYR HA H 14 4.323 4.191 0.132 1
1 188 . 6 1 1 A 19 19 TYR CB C 14 38.610 39.006 -0.396 1
1 193 . 6 1 1 A 19 19 TYR C C 14 176.007 175.846 0.161 1
1 194 . 6 1 1 A 20 20 PHE N N 15 118.275 119.318 -1.043 1
1 195 . 6 1 1 A 20 20 PHE H H 15 7.406 7.769 -0.363 1
1 196 . 6 1 1 A 20 20 PHE CA C 15 56.542 56.891 -0.349 1
1 197 . 6 1 1 A 20 20 PHE HA H 15 4.652 4.851 -0.199 1
1 198 . 6 1 1 A 20 20 PHE CB C 15 38.561 40.599 -2.038 1
1 202 . 6 1 1 A 20 20 PHE C C 15 176.160 176.019 0.141 1
1 203 . 6 1 1 A 21 21 ARG N N 16 119.140 124.170 -5.030 1
1 204 . 6 1 1 A 21 21 ARG H H 16 8.714 8.403 0.311 1
1 205 . 6 1 1 A 21 21 ARG CA C 16 54.474 56.088 -1.614 1
1 206 . 6 1 1 A 21 21 ARG HA H 16 4.747 4.256 0.491 1
1 207 . 6 1 1 A 21 21 ARG CB C 16 30.097 31.816 -1.719 1
1 223 . 6 1 1 A 21 21 ARG C C 16 177.095 177.623 -0.528 1
1 224 . 6 1 1 A 22 22 ILE N N 17 120.734 124.931 -4.197 1
1 225 . 6 1 1 A 22 22 ILE H H 17 8.708 8.808 -0.100 1
1 226 . 6 1 1 A 22 22 ILE CA C 17 65.114 64.733 0.381 1
1 227 . 6 1 1 A 22 22 ILE HA H 17 3.740 3.713 0.027 1
1 228 . 6 1 1 A 22 22 ILE CB C 17 36.768 37.611 -0.843 1
1 241 . 6 1 1 A 22 22 ILE C C 17 176.639 177.943 -1.304 1
1 242 . 6 1 1 A 23 23 LYS N N 18 118.184 121.809 -3.625 1
1 243 . 6 1 1 A 23 23 LYS H H 18 8.267 8.238 0.029 1
1 244 . 6 1 1 A 23 23 LYS CA C 18 59.978 59.945 0.033 1
1 245 . 6 1 1 A 23 23 LYS HA H 18 3.909 3.894 0.015 1
1 246 . 6 1 1 A 23 23 LYS CB C 18 32.191 32.271 -0.080 1
1 258 . 6 1 1 A 23 23 LYS C C 18 178.185 178.931 -0.746 1
1 259 . 6 1 1 A 24 24 GLU N N 19 117.651 119.298 -1.647 1
1 260 . 6 1 1 A 24 24 GLU H H 19 7.198 8.133 -0.935 1
1 261 . 6 1 1 A 24 24 GLU CA C 19 60.601 59.141 1.460 1
1 262 . 6 1 1 A 24 24 GLU HA H 19 4.056 3.912 0.144 1
1 263 . 6 1 1 A 24 24 GLU CB C 19 28.859 29.384 -0.525 1
1 269 . 6 1 1 A 24 24 GLU C C 19 178.542 179.289 -0.747 1
1 270 . 6 1 1 A 25 25 LEU N N 20 119.236 120.151 -0.915 1
1 271 . 6 1 1 A 25 25 LEU H H 20 7.980 8.219 -0.239 1
1 272 . 6 1 1 A 25 25 LEU CA C 20 57.812 58.029 -0.217 1
1 273 . 6 1 1 A 25 25 LEU HA H 20 3.947 3.966 -0.019 1
1 274 . 6 1 1 A 25 25 LEU CB C 20 42.172 41.735 0.437 1
1 281 . 6 1 1 A 25 25 LEU C C 20 178.081 179.512 -1.431 1
1 282 . 6 1 1 A 26 26 LYS N N 21 117.457 119.304 -1.847 1
1 283 . 6 1 1 A 26 26 LYS H H 21 8.770 8.653 0.117 1
1 284 . 6 1 1 A 26 26 LYS CA C 21 60.741 60.113 0.628 1
1 285 . 6 1 1 A 26 26 LYS HA H 21 3.806 3.923 -0.117 1
1 286 . 6 1 1 A 26 26 LYS CB C 21 31.876 32.227 -0.351 1
1 287 . 6 1 1 A 26 26 LYS C C 21 177.659 179.117 -1.458 1
1 288 . 6 1 1 A 27 27 ASP N N 22 119.023 119.626 -0.603 1
1 289 . 6 1 1 A 27 27 ASP H H 22 7.671 8.102 -0.431 1
1 290 . 6 1 1 A 27 27 ASP CA C 22 56.971 57.071 -0.100 1
1 291 . 6 1 1 A 27 27 ASP HA H 22 4.409 4.446 -0.037 1
1 292 . 6 1 1 A 27 27 ASP CB C 22 40.196 40.623 -0.427 1
1 295 . 6 1 1 A 27 27 ASP C C 22 180.796 179.040 1.756 1
1 296 . 6 1 1 A 28 28 ILE N N 23 119.318 120.212 -0.894 1
1 297 . 6 1 1 A 28 28 ILE H H 23 8.039 7.823 0.216 1
1 298 . 6 1 1 A 28 28 ILE CA C 23 65.328 65.699 -0.371 1
1 299 . 6 1 1 A 28 28 ILE HA H 23 3.601 3.615 -0.014 1
1 300 . 6 1 1 A 28 28 ILE CB C 23 37.309 38.218 -0.909 1
1 313 . 6 1 1 A 28 28 ILE C C 23 177.251 178.356 -1.105 1
1 314 . 6 1 1 A 29 29 LEU N N 24 120.356 119.101 1.255 1
1 315 . 6 1 1 A 29 29 LEU H H 24 8.220 8.152 0.068 1
1 316 . 6 1 1 A 29 29 LEU CA C 24 58.535 58.096 0.439 1
1 317 . 6 1 1 A 29 29 LEU HA H 24 3.824 3.961 -0.137 1
1 318 . 6 1 1 A 29 29 LEU CB C 24 39.478 41.185 -1.707 1
1 326 . 6 1 1 A 29 29 LEU C C 24 178.599 178.713 -0.114 1
1 327 . 6 1 1 A 30 30 ASN N N 25 117.446 117.490 -0.044 1
1 328 . 6 1 1 A 30 30 ASN H H 25 8.687 8.520 0.167 1
1 329 . 6 1 1 A 30 30 ASN CA C 25 56.241 57.068 -0.827 1
1 330 . 6 1 1 A 30 30 ASN HA H 25 4.520 4.344 0.176 1
1 331 . 6 1 1 A 30 30 ASN CB C 25 38.899 38.799 0.100 1
1 338 . 6 1 1 A 30 30 ASN C C 25 178.958 177.815 1.143 1
1 339 . 6 1 1 A 31 31 GLN N N 26 119.946 118.065 1.881 1
1 340 . 6 1 1 A 31 31 GLN H H 26 8.184 7.879 0.305 1
1 341 . 6 1 1 A 31 31 GLN CA C 26 58.779 58.778 0.001 1
1 342 . 6 1 1 A 31 31 GLN HA H 26 4.055 4.023 0.032 1
1 343 . 6 1 1 A 31 31 GLN CB C 26 29.109 28.393 0.716 1
1 353 . 6 1 1 A 31 31 GLN C C 26 177.586 178.815 -1.229 1
1 354 . 6 1 1 A 32 32 LEU N N 27 116.979 118.620 -1.641 1
1 355 . 6 1 1 A 32 32 LEU H H 27 7.893 7.804 0.089 1
1 356 . 6 1 1 A 32 32 LEU CA C 27 54.393 56.334 -1.941 1
1 357 . 6 1 1 A 32 32 LEU HA H 27 4.240 4.263 -0.023 1
1 358 . 6 1 1 A 32 32 LEU CB C 27 42.566 43.005 -0.439 1
1 369 . 6 1 1 A 32 32 LEU C C 27 175.693 176.887 -1.194 1
1 370 . 6 1 1 A 33 33 GLY N N 28 108.299 107.488 0.811 1
1 371 . 6 1 1 A 33 33 GLY H H 28 7.834 8.602 -0.768 1
1 372 . 6 1 1 A 33 33 GLY CA C 28 45.707 46.447 -0.740 1
1 373 . 6 1 1 A 33 33 GLY HA2 H 28 3.952 3.989 -0.037 1
1 374 . 6 1 1 A 33 33 GLY HA3 H 28 3.952 3.990 -0.038 1
1 375 . 6 1 1 A 33 33 GLY C C 28 174.317 174.567 -0.250 1
1 376 . 6 1 1 A 34 34 LEU N N 29 120.833 121.378 -0.545 1
1 377 . 6 1 1 A 34 34 LEU H H 29 7.986 7.703 0.283 1
1 378 . 6 1 1 A 34 34 LEU CA C 29 51.600 52.291 -0.691 1
1 379 . 6 1 1 A 34 34 LEU HA H 29 4.760 4.773 -0.013 1
1 380 . 6 1 1 A 34 34 LEU CB C 29 43.531 43.041 0.490 1
1 392 . 6 1 1 A 35 35 PRO CA C 30 62.741 62.449 0.292 1
1 393 . 6 1 1 A 35 35 PRO HA H 30 4.365 4.644 -0.279 1
1 394 . 6 1 1 A 35 35 PRO CB C 30 31.856 29.554 2.302 1
1 402 . 6 1 1 A 35 35 PRO C C 30 177.334 175.553 1.781 1
1 403 . 6 1 1 A 36 36 LYS N N 31 117.589 124.155 -6.566 1
1 404 . 6 1 1 A 36 36 LYS H H 31 8.380 8.252 0.128 1
1 405 . 6 1 1 A 36 36 LYS CA C 31 55.569 55.665 -0.096 1
1 406 . 6 1 1 A 36 36 LYS HA H 31 4.288 4.525 -0.237 1
1 407 . 6 1 1 A 36 36 LYS CB C 31 33.225 32.573 0.652 1
1 417 . 6 1 1 A 36 36 LYS C C 31 174.406 174.863 -0.457 1
1 418 . 6 1 1 A 37 37 GLN N N 32 118.260 121.454 -3.194 1
1 419 . 6 1 1 A 37 37 GLN H H 32 7.698 8.341 -0.643 1
1 420 . 6 1 1 A 37 37 GLN CA C 32 55.716 53.995 1.721 1
1 421 . 6 1 1 A 37 37 GLN HA H 32 4.392 4.909 -0.517 1
1 422 . 6 1 1 A 37 37 GLN CB C 32 28.251 31.522 -3.271 1
1 432 . 6 1 1 A 37 37 GLN C C 32 175.122 175.736 -0.614 1
1 433 . 6 1 1 A 38 38 GLY N N 33 109.855 108.653 1.202 1
1 434 . 6 1 1 A 38 38 GLY H H 33 8.449 8.315 0.134 1
1 435 . 6 1 1 A 38 38 GLY CA C 33 43.315 44.519 -1.204 1
1 436 . 6 1 1 A 38 38 GLY HA2 H 33 4.600 4.098 0.502 1
1 437 . 6 1 1 A 38 38 GLY HA3 H 33 3.803 4.099 -0.296 1
1 438 . 6 1 1 A 38 38 GLY C C 33 173.537 173.721 -0.184 1
1 439 . 6 1 1 A 39 39 LYS N N 34 117.627 122.412 -4.785 1
1 440 . 6 1 1 A 39 39 LYS H H 34 8.649 8.228 0.421 1
1 441 . 6 1 1 A 39 39 LYS CA C 34 54.916 54.747 0.169 1
1 442 . 6 1 1 A 39 39 LYS HA H 34 4.395 4.599 -0.204 1
1 443 . 6 1 1 A 39 39 LYS CB C 34 32.893 34.385 -1.492 1
1 455 . 6 1 1 A 39 39 LYS C C 34 176.803 178.341 -1.538 1
1 456 . 6 1 1 A 40 40 LYS N N 35 121.705 122.682 -0.977 1
1 457 . 6 1 1 A 40 40 LYS H H 35 8.920 8.625 0.295 1
1 458 . 6 1 1 A 40 40 LYS CA C 35 61.574 59.298 2.276 1
1 459 . 6 1 1 A 40 40 LYS HA H 35 3.599 3.954 -0.355 1
1 460 . 6 1 1 A 40 40 LYS CB C 35 31.924 32.218 -0.294 1
1 472 . 6 1 1 A 40 40 LYS C C 35 177.366 178.390 -1.024 1
1 473 . 6 1 1 A 41 41 GLN N N 36 114.634 118.622 -3.988 1
1 474 . 6 1 1 A 41 41 GLN H H 36 9.017 7.924 1.093 1
1 475 . 6 1 1 A 41 41 GLN CA C 36 57.636 58.573 -0.937 1
1 476 . 6 1 1 A 41 41 GLN HA H 36 3.731 4.029 -0.298 1
1 477 . 6 1 1 A 41 41 GLN CB C 36 27.865 28.375 -0.510 1
1 487 . 6 1 1 A 41 41 GLN C C 36 176.872 178.597 -1.725 1
1 488 . 6 1 1 A 42 42 ASP N N 37 115.980 120.272 -4.292 1
1 489 . 6 1 1 A 42 42 ASP H H 37 7.047 7.919 -0.872 1
1 490 . 6 1 1 A 42 42 ASP CA C 37 56.593 57.314 -0.721 1
1 491 . 6 1 1 A 42 42 ASP HA H 37 4.297 4.419 -0.122 1
1 492 . 6 1 1 A 42 42 ASP CB C 37 39.839 40.931 -1.092 1
1 495 . 6 1 1 A 42 42 ASP C C 37 178.454 178.979 -0.525 1
1 496 . 6 1 1 A 43 43 LEU N N 38 119.074 120.642 -1.568 1
1 497 . 6 1 1 A 43 43 LEU H H 38 7.725 8.167 -0.442 1
1 498 . 6 1 1 A 43 43 LEU CA C 38 57.713 58.019 -0.306 1
1 499 . 6 1 1 A 43 43 LEU HA H 38 3.787 3.965 -0.178 1
1 500 . 6 1 1 A 43 43 LEU CB C 38 40.214 42.172 -1.958 1
1 513 . 6 1 1 A 43 43 LEU C C 38 177.872 178.989 -1.117 1
1 514 . 6 1 1 A 44 44 ILE N N 39 118.343 118.582 -0.239 1
1 515 . 6 1 1 A 44 44 ILE H H 39 7.867 8.147 -0.280 1
1 516 . 6 1 1 A 44 44 ILE CA C 39 66.090 65.481 0.609 1
1 517 . 6 1 1 A 44 44 ILE HA H 39 3.321 3.522 -0.201 1
1 518 . 6 1 1 A 44 44 ILE CB C 39 38.013 37.795 0.218 1
1 528 . 6 1 1 A 44 44 ILE C C 39 177.711 177.992 -0.281 1
1 529 . 6 1 1 A 45 45 ASP N N 40 118.533 120.500 -1.967 1
1 530 . 6 1 1 A 45 45 ASP H H 40 8.503 8.337 0.166 1
1 531 . 6 1 1 A 45 45 ASP CA C 40 57.009 57.275 -0.266 1
1 532 . 6 1 1 A 45 45 ASP HA H 40 4.272 4.385 -0.113 1
1 533 . 6 1 1 A 45 45 ASP CB C 40 39.419 41.087 -1.668 1
1 536 . 6 1 1 A 45 45 ASP C C 40 178.392 178.544 -0.152 1
1 537 . 6 1 1 A 46 46 ARG N N 41 120.911 120.471 0.440 1
1 538 . 6 1 1 A 46 46 ARG H H 41 7.717 7.979 -0.262 1
1 539 . 6 1 1 A 46 46 ARG CA C 41 59.048 58.925 0.123 1
1 540 . 6 1 1 A 46 46 ARG HA H 41 3.991 4.155 -0.164 1
1 541 . 6 1 1 A 46 46 ARG CB C 41 29.817 30.076 -0.259 1
1 550 . 6 1 1 A 46 46 ARG C C 41 177.537 178.620 -1.083 1
1 551 . 6 1 1 A 47 47 VAL N N 42 117.438 119.574 -2.136 1
1 552 . 6 1 1 A 47 47 VAL H H 42 7.445 8.289 -0.844 1
1 553 . 6 1 1 A 47 47 VAL CA C 42 65.881 66.304 -0.423 1
1 554 . 6 1 1 A 47 47 VAL HA H 42 3.442 3.669 -0.227 1
1 555 . 6 1 1 A 47 47 VAL CB C 42 30.931 31.679 -0.748 1
1 565 . 6 1 1 A 47 47 VAL C C 42 177.671 178.087 -0.416 1
1 566 . 6 1 1 A 48 48 LEU N N 43 117.085 117.739 -0.654 1
1 567 . 6 1 1 A 48 48 LEU H H 43 8.466 8.127 0.339 1
1 568 . 6 1 1 A 48 48 LEU CA C 43 57.248 57.878 -0.630 1
1 569 . 6 1 1 A 48 48 LEU HA H 43 3.847 3.916 -0.069 1
1 570 . 6 1 1 A 48 48 LEU CB C 43 40.720 41.232 -0.512 1
1 583 . 6 1 1 A 48 48 LEU C C 43 179.581 179.464 0.117 1
1 584 . 6 1 1 A 49 49 ALA N N 44 120.479 121.815 -1.336 1
1 585 . 6 1 1 A 49 49 ALA H H 44 7.953 8.065 -0.112 1
1 586 . 6 1 1 A 49 49 ALA CA C 44 53.997 54.366 -0.369 1
1 587 . 6 1 1 A 49 49 ALA HA H 44 4.123 4.139 -0.016 1
1 591 . 6 1 1 A 49 49 ALA CB C 44 17.631 18.331 -0.700 1
1 592 . 6 1 1 A 49 49 ALA C C 44 178.926 179.502 -0.576 1
1 593 . 6 1 1 A 50 50 LEU N N 45 115.306 120.408 -5.102 1
1 594 . 6 1 1 A 50 50 LEU H H 45 7.428 7.813 -0.385 1
1 595 . 6 1 1 A 50 50 LEU CA C 45 55.652 57.693 -2.041 1
1 596 . 6 1 1 A 50 50 LEU HA H 45 4.219 4.112 0.107 1
1 597 . 6 1 1 A 50 50 LEU CB C 45 41.846 41.899 -0.053 1
1 610 . 6 1 1 A 50 50 LEU C C 45 177.840 178.684 -0.844 1
1 611 . 6 1 1 A 51 51 LEU N N 46 115.880 118.891 -3.011 1
1 612 . 6 1 1 A 51 51 LEU H H 46 7.642 7.915 -0.273 1
1 613 . 6 1 1 A 51 51 LEU CA C 46 54.693 55.894 -1.201 1
1 614 . 6 1 1 A 51 51 LEU HA H 46 4.265 4.198 0.067 1
1 615 . 6 1 1 A 51 51 LEU CB C 46 42.040 41.808 0.232 1
1 625 . 6 1 1 A 51 51 LEU C C 46 176.015 177.284 -1.269 1
1 626 . 6 1 1 A 52 52 THR N N 47 109.201 112.516 -3.315 1
1 627 . 6 1 1 A 52 52 THR H H 47 7.516 7.491 0.025 1
1 628 . 6 1 1 A 52 52 THR CA C 47 60.834 64.410 -3.576 1
1 629 . 6 1 1 A 52 52 THR HA H 47 4.348 4.297 0.051 1
1 630 . 6 1 1 A 52 52 THR CB C 47 69.704 69.738 -0.034 1
1 636 . 6 1 1 A 52 52 THR C C 47 173.733 175.134 -1.401 1
1 637 . 6 1 1 A 53 53 ASP N N 48 122.188 118.320 3.868 1
1 638 . 6 1 1 A 53 53 ASP H H 48 8.280 8.098 0.182 1
1 639 . 6 1 1 A 53 53 ASP CA C 48 54.185 55.508 -1.323 1
1 640 . 6 1 1 A 53 53 ASP HA H 48 4.699 4.488 0.211 1
1 641 . 6 1 1 A 53 53 ASP CB C 48 40.749 41.025 -0.276 1
1 645 . 6 1 1 A 53 53 ASP C C 48 176.000 176.621 -0.621 1
1 646 . 6 1 1 A 54 54 GLU N N 49 121.966 118.795 3.171 1
1 647 . 6 1 1 A 54 54 GLU H H 49 8.588 7.813 0.775 1
1 648 . 6 1 1 A 54 54 GLU CA C 49 56.604 55.601 1.003 1
1 649 . 6 1 1 A 54 54 GLU HA H 49 4.229 4.663 -0.434 1
1 650 . 6 1 1 A 54 54 GLU CB C 49 29.642 30.853 -1.211 1
1 656 . 6 1 1 A 54 54 GLU C C 49 176.589 176.694 -0.105 1
1 657 . 6 1 1 A 55 55 GLN N N 50 120.727 118.672 2.055 1
1 658 . 6 1 1 A 55 55 GLN H H 50 8.642 7.894 0.748 1
1 659 . 6 1 1 A 55 55 GLN CA C 50 56.165 55.321 0.844 1
1 660 . 6 1 1 A 55 55 GLN HA H 50 4.226 4.153 0.073 1
1 661 . 6 1 1 A 55 55 GLN CB C 50 28.555 28.514 0.041 1
1 671 . 6 1 1 A 55 55 GLN C C 50 176.554 175.993 0.561 1
1 672 . 6 1 1 A 56 56 GLY N N 51 109.357 108.011 1.346 1
1 673 . 6 1 1 A 56 56 GLY H H 51 8.519 7.902 0.617 1
1 674 . 6 1 1 A 56 56 GLY CA C 51 45.276 45.326 -0.050 1
1 675 . 6 1 1 A 56 56 GLY HA2 H 51 3.951 3.962 -0.011 1
1 676 . 6 1 1 A 56 56 GLY HA3 H 51 3.815 4.095 -0.280 1
1 677 . 6 1 1 A 56 56 GLY C C 51 174.146 175.580 -1.434 1
1 678 . 6 1 1 A 57 57 GLN N N 52 119.207 118.902 0.305 1
1 679 . 6 1 1 A 57 57 GLN H H 52 8.263 8.255 0.008 1
1 680 . 6 1 1 A 57 57 GLN CA C 52 55.650 58.447 -2.797 1
1 681 . 6 1 1 A 57 57 GLN HA H 52 4.217 4.152 0.065 1
1 682 . 6 1 1 A 57 57 GLN CB C 52 28.723 29.104 -0.381 1
1 692 . 6 1 1 A 57 57 GLN C C 52 175.872 176.772 -0.900 1
1 693 . 6 1 1 A 58 58 ARG N N 53 120.525 113.814 6.711 1
1 694 . 6 1 1 A 58 58 ARG H H 53 8.279 7.744 0.535 1
1 695 . 6 1 1 A 58 58 ARG CA C 53 55.854 55.277 0.577 1
1 696 . 6 1 1 A 58 58 ARG HA H 53 4.204 4.729 -0.525 1
1 697 . 6 1 1 A 58 58 ARG CB C 53 29.944 30.293 -0.349 1
1 708 . 6 1 1 A 58 58 ARG C C 53 175.819 174.553 1.266 1
1 709 . 6 1 1 A 59 59 HIS N N 54 118.905 121.715 -2.810 1
1 710 . 6 1 1 A 59 59 HIS H H 54 8.397 8.633 -0.236 1
1 711 . 6 1 1 A 59 59 HIS CA C 54 55.130 55.597 -0.467 1
1 712 . 6 1 1 A 59 59 HIS HA H 54 4.554 4.926 -0.372 1
1 713 . 6 1 1 A 59 59 HIS CB C 54 28.953 30.506 -1.553 1
1 716 . 6 1 1 A 59 59 HIS C C 54 174.248 173.666 0.582 1
1 717 . 6 1 1 A 60 60 HIS N N 55 119.527 121.219 -1.692 1
1 718 . 6 1 1 A 60 60 HIS H H 55 8.493 8.801 -0.308 1
1 719 . 6 1 1 A 60 60 HIS CA C 55 55.589 55.788 -0.199 1
1 720 . 6 1 1 A 60 60 HIS HA H 55 4.553 3.838 0.715 1
1 721 . 6 1 1 A 60 60 HIS CB C 55 28.913 30.465 -1.552 1
1 724 . 6 1 1 A 60 60 HIS C C 55 174.759 175.130 -0.371 1
1 725 . 6 1 1 A 61 61 GLY N N 56 110.215 108.709 1.506 1
1 726 . 6 1 1 A 61 61 GLY H H 56 8.604 7.485 1.119 1
1 727 . 6 1 1 A 61 61 GLY CA C 56 44.977 45.197 -0.220 1
1 728 . 6 1 1 A 61 61 GLY HA2 H 56 3.958 3.388 0.570 1
1 729 . 6 1 1 A 61 61 GLY HA3 H 56 3.833 3.424 0.409 1
1 730 . 6 1 1 A 61 61 GLY C C 56 173.752 174.331 -0.579 1
1 731 . 6 1 1 A 62 62 TRP N N 57 120.700 118.025 2.675 1
1 732 . 6 1 1 A 62 62 TRP H H 57 8.175 7.443 0.732 1
1 733 . 6 1 1 A 62 62 TRP CA C 57 56.935 58.262 -1.327 1
1 734 . 6 1 1 A 62 62 TRP HA H 57 4.658 4.674 -0.016 1
1 735 . 6 1 1 A 62 62 TRP CB C 57 29.018 31.348 -2.330 1
1 750 . 6 1 1 A 62 62 TRP C C 57 176.442 177.317 -0.875 1
1 751 . 6 1 1 A 63 63 GLY N N 58 110.195 108.726 1.469 1
1 752 . 6 1 1 A 63 63 GLY H H 58 8.452 8.357 0.095 1
1 753 . 6 1 1 A 63 63 GLY CA C 58 45.052 45.412 -0.360 1
1 754 . 6 1 1 A 63 63 GLY HA2 H 58 3.925 4.050 -0.125 1
1 755 . 6 1 1 A 63 63 GLY HA3 H 58 3.833 4.074 -0.241 1
1 756 . 6 1 1 A 63 63 GLY C C 58 173.738 174.947 -1.209 1
1 757 . 6 1 1 A 64 64 ARG N N 59 120.374 119.174 1.200 1
1 758 . 6 1 1 A 64 64 ARG H H 59 8.136 8.738 -0.602 1
1 759 . 6 1 1 A 64 64 ARG CA C 59 55.779 57.454 -1.675 1
1 760 . 6 1 1 A 64 64 ARG HA H 59 4.287 4.145 0.142 1
1 761 . 6 1 1 A 64 64 ARG CB C 59 30.244 28.270 1.974 1
1 772 . 6 1 1 A 64 64 ARG C C 59 176.269 175.383 0.886 1
1 773 . 6 1 1 A 65 65 LYS N N 60 121.590 118.698 2.892 1
1 774 . 6 1 1 A 65 65 LYS H H 60 8.483 7.945 0.538 1
1 775 . 6 1 1 A 65 65 LYS CA C 60 56.435 55.409 1.026 1
1 776 . 6 1 1 A 65 65 LYS HA H 60 4.226 4.548 -0.322 1
1 777 . 6 1 1 A 65 65 LYS CB C 60 32.259 33.563 -1.304 1
1 783 . 6 1 1 A 65 65 LYS C C 60 176.075 177.551 -1.476 1
1 784 . 6 1 1 A 66 66 ASN N N 61 118.654 117.966 0.688 1
1 785 . 6 1 1 A 66 66 ASN H H 61 8.413 7.960 0.453 1
1 786 . 6 1 1 A 66 66 ASN CA C 61 53.042 52.909 0.133 1
1 787 . 6 1 1 A 66 66 ASN HA H 61 4.651 4.647 0.004 1
1 788 . 6 1 1 A 66 66 ASN CB C 61 38.348 38.427 -0.079 1
1 795 . 6 1 1 A 66 66 ASN C C 61 174.530 175.341 -0.811 1
1 796 . 6 1 1 A 67 67 SER N N 62 115.494 111.374 4.120 1
1 797 . 6 1 1 A 67 67 SER H H 62 8.289 8.131 0.158 1
1 798 . 6 1 1 A 67 67 SER CA C 62 58.090 59.639 -1.549 1
1 799 . 6 1 1 A 67 67 SER HA H 62 4.294 4.267 0.027 1
1 800 . 6 1 1 A 67 67 SER CB C 62 63.205 61.079 2.126 1
1 803 . 6 1 1 A 67 67 SER C C 62 173.894 173.962 -0.068 1
1 804 . 6 1 1 A 68 68 LEU N N 63 123.552 116.351 7.201 1
1 805 . 6 1 1 A 68 68 LEU H H 63 8.063 7.873 0.190 1
1 806 . 6 1 1 A 68 68 LEU CA C 63 54.124 54.017 0.107 1
1 807 . 6 1 1 A 68 68 LEU HA H 63 4.495 4.650 -0.155 1
1 808 . 6 1 1 A 68 68 LEU CB C 63 42.447 42.843 -0.396 1
1 821 . 6 1 1 A 68 68 LEU C C 63 176.587 176.129 0.458 1
1 822 . 6 1 1 A 69 69 THR N N 64 112.637 111.017 1.620 1
1 823 . 6 1 1 A 69 69 THR H H 64 7.797 7.438 0.359 1
1 824 . 6 1 1 A 69 69 THR CA C 64 60.021 59.509 0.512 1
1 825 . 6 1 1 A 69 69 THR HA H 64 4.490 4.626 -0.136 1
1 826 . 6 1 1 A 69 69 THR CB C 64 70.896 71.804 -0.908 1
1 832 . 6 1 1 A 69 69 THR C C 64 174.998 175.710 -0.712 1
1 833 . 6 1 1 A 70 70 LYS N N 65 120.128 119.714 0.414 1
1 834 . 6 1 1 A 70 70 LYS H H 65 9.059 9.012 0.047 1
1 835 . 6 1 1 A 70 70 LYS CA C 65 59.374 58.952 0.422 1
1 836 . 6 1 1 A 70 70 LYS HA H 65 3.941 3.982 -0.041 1
1 837 . 6 1 1 A 70 70 LYS CB C 65 31.830 31.744 0.086 1
1 843 . 6 1 1 A 70 70 LYS C C 65 177.539 178.723 -1.184 1
1 844 . 6 1 1 A 71 71 GLU N N 66 117.667 120.153 -2.486 1
1 845 . 6 1 1 A 71 71 GLU H H 66 8.699 8.296 0.403 1
1 846 . 6 1 1 A 71 71 GLU CA C 66 60.307 59.055 1.252 1
1 847 . 6 1 1 A 71 71 GLU HA H 66 3.812 4.054 -0.242 1
1 848 . 6 1 1 A 71 71 GLU CB C 66 27.903 29.726 -1.823 1
1 855 . 6 1 1 A 71 71 GLU C C 66 178.499 178.910 -0.411 1
1 856 . 6 1 1 A 72 72 ALA N N 67 123.914 122.194 1.720 1
1 857 . 6 1 1 A 72 72 ALA H H 67 7.991 7.432 0.559 1
1 858 . 6 1 1 A 72 72 ALA CA C 67 54.601 54.803 -0.202 1
1 859 . 6 1 1 A 72 72 ALA HA H 67 4.116 4.068 0.048 1
1 863 . 6 1 1 A 72 72 ALA CB C 67 18.288 18.811 -0.523 1
1 864 . 6 1 1 A 72 72 ALA C C 67 178.721 179.391 -0.670 1
1 865 . 6 1 1 A 73 73 VAL N N 68 119.435 117.999 1.436 1
1 866 . 6 1 1 A 73 73 VAL H H 68 8.045 8.052 -0.007 1
1 867 . 6 1 1 A 73 73 VAL CA C 68 66.211 66.538 -0.327 1
1 868 . 6 1 1 A 73 73 VAL HA H 68 3.470 3.540 -0.070 1
1 869 . 6 1 1 A 73 73 VAL CB C 68 31.103 31.592 -0.489 1
1 879 . 6 1 1 A 73 73 VAL C C 68 177.001 178.366 -1.365 1
1 880 . 6 1 1 A 74 74 ALA N N 69 120.667 121.413 -0.746 1
1 881 . 6 1 1 A 74 74 ALA H H 69 8.407 8.214 0.193 1
1 882 . 6 1 1 A 74 74 ALA CA C 69 54.687 54.992 -0.305 1
1 883 . 6 1 1 A 74 74 ALA HA H 69 3.981 4.118 -0.137 1
1 887 . 6 1 1 A 74 74 ALA CB C 69 18.048 18.167 -0.119 1
1 888 . 6 1 1 A 74 74 ALA C C 69 178.865 179.710 -0.845 1
1 889 . 6 1 1 A 75 75 LYS N N 70 118.628 118.122 0.506 1
1 890 . 6 1 1 A 75 75 LYS H H 70 7.930 7.851 0.079 1
1 891 . 6 1 1 A 75 75 LYS CA C 70 58.914 59.705 -0.791 1
1 892 . 6 1 1 A 75 75 LYS HA H 70 4.105 4.033 0.072 1
1 893 . 6 1 1 A 75 75 LYS CB C 70 31.806 32.296 -0.490 1
1 903 . 6 1 1 A 75 75 LYS C C 70 177.409 179.114 -1.705 1
1 904 . 6 1 1 A 76 76 ILE N N 71 120.231 119.880 0.351 1
1 905 . 6 1 1 A 76 76 ILE H H 71 7.478 7.798 -0.320 1
1 906 . 6 1 1 A 76 76 ILE CA C 71 64.835 64.622 0.213 1
1 907 . 6 1 1 A 76 76 ILE HA H 71 3.973 3.745 0.228 1
1 908 . 6 1 1 A 76 76 ILE CB C 71 37.788 37.189 0.599 1
1 921 . 6 1 1 A 76 76 ILE C C 71 179.734 178.129 1.605 1
1 922 . 6 1 1 A 77 77 VAL N N 72 122.505 120.231 2.274 1
1 923 . 6 1 1 A 77 77 VAL H H 72 8.325 8.007 0.318 1
1 924 . 6 1 1 A 77 77 VAL CA C 72 67.425 66.613 0.812 1
1 925 . 6 1 1 A 77 77 VAL HA H 72 3.581 3.508 0.073 1
1 926 . 6 1 1 A 77 77 VAL CB C 72 30.885 31.586 -0.701 1
1 936 . 6 1 1 A 77 77 VAL C C 72 176.939 177.726 -0.787 1
1 937 . 6 1 1 A 78 78 ASP N N 73 120.524 120.460 0.064 1
1 938 . 6 1 1 A 78 78 ASP H H 73 8.798 8.165 0.633 1
1 939 . 6 1 1 A 78 78 ASP CA C 73 58.163 56.810 1.353 1
1 940 . 6 1 1 A 78 78 ASP HA H 73 4.392 4.538 -0.146 1
1 941 . 6 1 1 A 78 78 ASP CB C 73 41.459 40.762 0.697 1
1 945 . 6 1 1 A 78 78 ASP C C 73 178.122 178.538 -0.416 1
1 946 . 6 1 1 A 79 79 ASP N N 74 119.762 119.922 -0.160 1
1 947 . 6 1 1 A 79 79 ASP H H 74 9.318 8.117 1.201 1
1 948 . 6 1 1 A 79 79 ASP CA C 74 57.122 57.325 -0.203 1
1 949 . 6 1 1 A 79 79 ASP HA H 74 4.405 4.422 -0.017 1
1 950 . 6 1 1 A 79 79 ASP CB C 74 39.850 41.077 -1.227 1
1 954 . 6 1 1 A 79 79 ASP C C 74 178.921 178.700 0.221 1
1 955 . 6 1 1 A 80 80 THR N N 75 117.347 117.045 0.302 1
1 956 . 6 1 1 A 80 80 THR H H 75 8.084 8.494 -0.410 1
1 957 . 6 1 1 A 80 80 THR CA C 75 67.055 66.710 0.345 1
1 958 . 6 1 1 A 80 80 THR HA H 75 3.846 3.970 -0.124 1
1 959 . 6 1 1 A 80 80 THR CB C 75 67.692 68.274 -0.582 1
1 965 . 6 1 1 A 80 80 THR C C 75 175.367 176.158 -0.791 1
1 966 . 6 1 1 A 81 81 TYR N N 76 123.735 122.144 1.591 1
1 967 . 6 1 1 A 81 81 TYR H H 76 8.830 8.142 0.688 1
1 968 . 6 1 1 A 81 81 TYR CA C 76 61.712 61.775 -0.063 1
1 969 . 6 1 1 A 81 81 TYR HA H 76 4.269 4.456 -0.187 1
1 970 . 6 1 1 A 81 81 TYR CB C 76 38.639 38.657 -0.018 1
1 974 . 6 1 1 A 81 81 TYR C C 76 176.700 177.581 -0.881 1
1 975 . 6 1 1 A 82 82 ARG N N 77 118.508 119.871 -1.363 1
1 976 . 6 1 1 A 82 82 ARG H H 77 8.755 8.879 -0.124 1
1 977 . 6 1 1 A 82 82 ARG CA C 77 58.776 58.753 0.023 1
1 978 . 6 1 1 A 82 82 ARG HA H 77 3.892 3.954 -0.062 1
1 979 . 6 1 1 A 82 82 ARG CB C 77 29.459 30.394 -0.935 1
1 995 . 6 1 1 A 82 82 ARG C C 77 178.748 177.858 0.890 1
1 996 . 6 1 1 A 83 83 LYS N N 78 118.075 118.379 -0.304 1
1 997 . 6 1 1 A 83 83 LYS H H 78 7.696 8.040 -0.344 1
1 998 . 6 1 1 A 83 83 LYS CA C 78 58.614 58.898 -0.284 1
1 999 . 6 1 1 A 83 83 LYS HA H 78 4.031 4.102 -0.071 1
1 1000 . 6 1 1 A 83 83 LYS CB C 78 32.055 32.030 0.025 1
1 1005 . 6 1 1 A 83 83 LYS C C 78 177.890 179.025 -1.135 1
1 1006 . 6 1 1 A 84 84 MET N N 79 118.233 119.234 -1.001 1
1 1007 . 6 1 1 A 84 84 MET H H 79 7.748 7.943 -0.195 1
1 1008 . 6 1 1 A 84 84 MET CA C 79 57.254 58.531 -1.277 1
1 1009 . 6 1 1 A 84 84 MET HA H 79 4.189 4.258 -0.069 1
1 1010 . 6 1 1 A 84 84 MET CB C 79 32.169 32.798 -0.629 1
1 1020 . 6 1 1 A 84 84 MET C C 79 177.036 176.949 0.087 1
1 1021 . 6 1 1 A 85 85 GLN N N 80 117.242 115.183 2.059 1
1 1022 . 6 1 1 A 85 85 GLN H H 80 7.843 7.425 0.418 1
1 1023 . 6 1 1 A 85 85 GLN CA C 80 56.500 54.535 1.965 1
1 1024 . 6 1 1 A 85 85 GLN HA H 80 3.993 4.539 -0.546 1
1 1025 . 6 1 1 A 85 85 GLN CB C 80 28.124 30.089 -1.965 1
1 1035 . 6 1 1 A 85 85 GLN C C 80 176.756 174.875 1.881 1
1 1036 . 6 1 1 A 86 86 ILE N N 81 119.178 117.526 1.652 1
1 1037 . 6 1 1 A 86 86 ILE H H 81 7.715 7.631 0.084 1
1 1038 . 6 1 1 A 86 86 ILE CA C 81 61.995 61.857 0.138 1
1 1039 . 6 1 1 A 86 86 ILE HA H 81 3.948 3.699 0.249 1
1 1040 . 6 1 1 A 86 86 ILE CB C 81 37.856 36.865 0.991 1
1 1052 . 6 1 1 A 86 86 ILE C C 81 176.728 174.757 1.971 1
1 1053 . 6 1 1 A 87 87 GLN N N 82 121.380 123.428 -2.048 1
1 1054 . 6 1 1 A 87 87 GLN H H 82 8.164 7.756 0.408 1
1 1055 . 6 1 1 A 87 87 GLN CA C 82 56.075 55.501 0.574 1
1 1056 . 6 1 1 A 87 87 GLN HA H 82 4.227 4.210 0.017 1
1 1057 . 6 1 1 A 87 87 GLN CB C 82 28.735 29.532 -0.797 1
1 1066 . 6 1 1 A 87 87 GLN C C 82 175.836 175.071 0.765 1
1 1067 . 6 1 1 A 88 88 CYS N N 83 118.668 121.471 -2.803 1
1 1068 . 6 1 1 A 88 88 CYS H H 83 8.238 8.422 -0.184 1
1 1069 . 6 1 1 A 88 88 CYS CA C 83 58.012 57.822 0.190 1
1 1070 . 6 1 1 A 88 88 CYS HA H 83 4.475 4.473 0.002 1
1 1071 . 6 1 1 A 88 88 CYS CB C 83 27.697 26.019 1.678 1
1 1074 . 6 1 1 A 88 88 CYS C C 83 173.428 173.830 -0.402 1
1 1075 . 6 1 1 A 89 89 ALA N N 84 127.014 121.663 5.351 1
1 1076 . 6 1 1 A 89 89 ALA H H 84 8.249 7.998 0.251 1
1 1077 . 6 1 1 A 89 89 ALA CA C 84 50.615 52.827 -2.212 1
1 1078 . 6 1 1 A 89 89 ALA HA H 84 4.562 3.999 0.563 1
1 1082 . 6 1 1 A 89 89 ALA CB C 84 17.465 17.638 -0.173 1
1 1083 . 6 1 1 A 89 89 ALA C C 84 175.125 178.069 -2.944 1
1 1085 . 6 1 1 A 90 90 PRO CA C 85 63.085 63.791 -0.706 1
1 1086 . 6 1 1 A 90 90 PRO HA H 85 4.386 4.395 -0.009 1
1 1087 . 6 1 1 A 90 90 PRO CB C 85 31.491 32.145 -0.654 1
1 1095 . 6 1 1 A 90 90 PRO C C 85 176.381 176.274 0.107 1
1 1096 . 6 1 1 A 91 91 ASP N N 86 119.209 116.089 3.120 1
1 1097 . 6 1 1 A 91 91 ASP H H 86 8.429 8.184 0.245 1
1 1098 . 6 1 1 A 91 91 ASP CA C 86 53.752 54.696 -0.944 1
1 1099 . 6 1 1 A 91 91 ASP HA H 86 4.394 4.315 0.079 1
1 1100 . 6 1 1 A 91 91 ASP CB C 86 40.319 39.093 1.226 1
1 1103 . 6 1 1 A 91 91 ASP C C 86 176.101 176.197 -0.096 1
1 1104 . 6 1 1 A 92 92 LEU N N 87 122.571 120.536 2.035 1
1 1105 . 6 1 1 A 92 92 LEU H H 87 8.208 7.931 0.277 1
1 1106 . 6 1 1 A 92 92 LEU CA C 87 55.327 57.904 -2.577 1
1 1107 . 6 1 1 A 92 92 LEU HA H 87 4.205 4.037 0.168 1
1 1108 . 6 1 1 A 92 92 LEU CB C 87 41.636 42.408 -0.772 1
1 1121 . 6 1 1 A 92 92 LEU C C 87 177.406 177.250 0.156 1
1 1122 . 6 1 1 A 93 93 ALA N N 88 123.131 116.891 6.240 1
1 1123 . 6 1 1 A 93 93 ALA H H 88 8.305 7.652 0.653 1
1 1124 . 6 1 1 A 93 93 ALA CA C 88 52.823 53.032 -0.209 1
1 1125 . 6 1 1 A 93 93 ALA HA H 88 4.245 4.533 -0.288 1
1 1129 . 6 1 1 A 93 93 ALA CB C 88 18.496 20.009 -1.513 1
1 1130 . 6 1 1 A 93 93 ALA C C 88 178.033 177.513 0.520 1
1 1131 . 6 1 1 A 94 94 THR N N 89 112.097 108.337 3.760 1
1 1132 . 6 1 1 A 94 94 THR H H 89 7.994 8.188 -0.194 1
1 1133 . 6 1 1 A 94 94 THR CA C 89 61.892 62.088 -0.196 1
1 1134 . 6 1 1 A 94 94 THR HA H 89 4.247 4.472 -0.225 1
1 1135 . 6 1 1 A 94 94 THR CB C 89 69.076 70.838 -1.762 1
1 1141 . 6 1 1 A 94 94 THR C C 89 174.478 175.107 -0.629 1
1 1142 . 6 1 1 A 95 95 ARG N N 90 122.704 117.695 5.009 1
1 1143 . 6 1 1 A 95 95 ARG H H 90 8.211 8.177 0.034 1
1 1144 . 6 1 1 A 95 95 ARG CA C 90 55.803 57.458 -1.655 1
1 1145 . 6 1 1 A 95 95 ARG HA H 90 4.336 3.913 0.423 1
1 1146 . 6 1 1 A 95 95 ARG CB C 90 30.263 27.234 3.029 1
1 1157 . 6 1 1 A 95 95 ARG C C 90 175.958 175.508 0.450 1
1 1158 . 6 1 1 A 96 96 SER N N 91 116.390 112.936 3.454 1
1 1159 . 6 1 1 A 96 96 SER H H 91 8.365 7.893 0.472 1
1 1160 . 6 1 1 A 96 96 SER CA C 91 58.011 59.377 -1.366 1
1 1161 . 6 1 1 A 96 96 SER HA H 91 4.383 4.821 -0.438 1
1 1162 . 6 1 1 A 96 96 SER CB C 91 63.261 64.306 -1.045 1
1 1165 . 6 1 1 A 96 96 SER C C 91 174.016 174.586 -0.570 1
1 1166 . 6 1 1 A 97 97 HIS N N 92 120.507 119.511 0.996 1
1 1167 . 6 1 1 A 97 97 HIS H H 92 8.541 8.136 0.405 1
1 1168 . 6 1 1 A 97 97 HIS CA C 92 55.068 56.947 -1.879 1
1 1169 . 6 1 1 A 97 97 HIS HA H 92 4.707 4.130 0.577 1
1 1170 . 6 1 1 A 97 97 HIS CB C 92 28.839 28.446 0.393 1
1 1173 . 6 1 1 A 97 97 HIS C C 92 174.186 174.417 -0.231 1
1 1174 . 6 1 1 A 98 98 SER N N 93 116.801 113.130 3.671 1
1 1175 . 6 1 1 A 98 98 SER H H 93 8.455 8.231 0.224 1
1 1176 . 6 1 1 A 98 98 SER CA C 93 58.046 59.241 -1.195 1
1 1177 . 6 1 1 A 98 98 SER HA H 93 4.450 4.026 0.424 1
1 1178 . 6 1 1 A 98 98 SER CB C 93 63.434 62.210 1.224 1
1 1181 . 6 1 1 A 98 98 SER C C 93 174.553 173.461 1.092 1
1 1182 . 6 1 1 A 99 99 GLY N N 94 111.114 107.145 3.969 1
1 1183 . 6 1 1 A 99 99 GLY H H 94 8.597 8.217 0.380 1
1 1184 . 6 1 1 A 99 99 GLY CA C 94 44.888 45.559 -0.671 1
1 1185 . 6 1 1 A 99 99 GLY HA2 H 94 3.998 4.191 -0.193 1
1 1186 . 6 1 1 A 99 99 GLY HA3 H 94 3.998 4.206 -0.208 1
1 1187 . 6 1 1 A 99 99 GLY C C 94 173.856 174.499 -0.643 1
1 1188 . 6 1 1 A 100 100 SER N N 95 115.398 114.617 0.781 1
1 1189 . 6 1 1 A 100 100 SER H H 95 8.311 7.960 0.351 1
1 1190 . 6 1 1 A 100 100 SER CA C 95 57.909 57.475 0.434 1
1 1191 . 6 1 1 A 100 100 SER HA H 95 4.422 4.782 -0.360 1
1 1192 . 6 1 1 A 100 100 SER CB C 95 63.377 64.864 -1.487 1
1 1195 . 6 1 1 A 100 100 SER C C 95 173.695 174.251 -0.556 1
1 1196 . 6 1 1 A 101 101 ASP N N 96 121.810 118.687 3.123 1
1 1197 . 6 1 1 A 101 101 ASP H H 96 8.380 8.427 -0.047 1
1 1198 . 6 1 1 A 101 101 ASP CA C 96 53.797 55.501 -1.704 1
1 1199 . 6 1 1 A 101 101 ASP HA H 96 4.546 4.322 0.224 1
1 1200 . 6 1 1 A 101 101 ASP CB C 96 40.440 39.209 1.231 1
1 1203 . 6 1 1 A 101 101 ASP C C 96 175.547 175.921 -0.374 1
1 1204 . 6 1 1 A 102 102 PHE N N 97 120.706 116.709 3.997 1
1 1205 . 6 1 1 A 102 102 PHE H H 97 8.249 8.515 -0.266 1
1 1206 . 6 1 1 A 102 102 PHE CA C 97 57.444 58.876 -1.432 1
1 1207 . 6 1 1 A 102 102 PHE HA H 97 4.546 4.071 0.475 1
1 1208 . 6 1 1 A 102 102 PHE CB C 97 38.772 37.795 0.977 1
1 1214 . 6 1 1 A 102 102 PHE C C 97 175.312 174.636 0.676 1
1 1215 . 6 1 1 A 103 103 SER N N 98 116.992 109.262 7.730 1
1 1216 . 6 1 1 A 103 103 SER H H 98 8.167 8.912 -0.745 1
1 1217 . 6 1 1 A 103 103 SER CA C 98 57.983 58.735 -0.752 1
1 1218 . 6 1 1 A 103 103 SER HA H 98 4.314 4.158 0.156 1
1 1219 . 6 1 1 A 103 103 SER CB C 98 63.384 61.703 1.681 1
1 1222 . 6 1 1 A 103 103 SER C C 98 173.286 173.824 -0.538 1
1 1223 . 6 1 1 A 104 104 PHE N N 99 122.000 122.392 -0.392 1
1 1224 . 6 1 1 A 104 104 PHE H H 99 8.170 8.203 -0.033 1
1 1225 . 6 1 1 A 104 104 PHE CA C 99 57.354 56.481 0.873 1
1 1226 . 6 1 1 A 104 104 PHE HA H 99 4.545 4.720 -0.175 1
1 1227 . 6 1 1 A 104 104 PHE CB C 99 39.045 36.718 2.327 1
1 1233 . 6 1 1 A 104 104 PHE C C 99 174.621 175.660 -1.039 1
1 1234 . 6 1 1 A 105 105 ARG N N 100 124.796 125.224 -0.428 1
1 1235 . 6 1 1 A 105 105 ARG H H 100 8.101 8.587 -0.486 1
1 1236 . 6 1 1 A 105 105 ARG CA C 100 52.919 54.483 -1.564 1
1 1237 . 6 1 1 A 105 105 ARG HA H 100 4.542 4.349 0.193 1
1 1238 . 6 1 1 A 105 105 ARG CB C 100 29.973 30.837 -0.864 1
1 1247 . 6 1 1 A 105 105 ARG C C 100 172.924 174.902 -1.978 1
1 1249 . 6 1 1 A 106 106 PRO CA C 101 62.366 62.389 -0.023 1
1 1250 . 6 1 1 A 106 106 PRO HA H 101 4.349 4.717 -0.368 1
1 1251 . 6 1 1 A 106 106 PRO CB C 101 31.609 33.405 -1.796 1
1 1259 . 6 1 1 A 106 106 PRO C C 101 176.395 176.470 -0.075 1
1 1260 . 6 1 1 A 107 107 ILE N N 102 121.380 120.927 0.453 1
1 1261 . 6 1 1 A 107 107 ILE H H 102 8.350 8.498 -0.148 1
1 1262 . 6 1 1 A 107 107 ILE CA C 102 60.925 60.335 0.590 1
1 1263 . 6 1 1 A 107 107 ILE HA H 102 4.050 4.687 -0.637 1
1 1264 . 6 1 1 A 107 107 ILE CB C 102 38.165 38.860 -0.695 1
1 1277 . 6 1 1 A 107 107 ILE C C 102 175.990 176.424 -0.434 1
1 1278 . 6 1 1 A 108 108 GLU N N 103 124.836 123.260 1.576 1
1 1279 . 6 1 1 A 108 108 GLU H H 103 8.578 8.236 0.342 1
1 1280 . 6 1 1 A 108 108 GLU CA C 103 55.915 59.243 -3.328 1
1 1281 . 6 1 1 A 108 108 GLU HA H 103 4.279 3.978 0.301 1
1 1282 . 6 1 1 A 108 108 GLU CB C 103 29.902 30.209 -0.307 1
1 1288 . 6 1 1 A 108 108 GLU C C 103 175.678 176.703 -1.025 1
1 1289 . 6 1 1 A 109 109 GLU N N 104 122.847 113.434 9.413 1
1 1290 . 6 1 1 A 109 109 GLU H H 104 8.459 7.821 0.638 1
1 1291 . 6 1 1 A 109 109 GLU CA C 104 55.845 55.671 0.174 1
1 1292 . 6 1 1 A 109 109 GLU HA H 104 4.273 4.524 -0.251 1
1 1293 . 6 1 1 A 109 109 GLU CB C 104 29.990 29.872 0.118 1
1 1299 . 6 1 1 A 109 109 GLU C C 104 174.661 176.193 -1.532 1
1 3 . 7 1 1 A 2 2 SER N N -4 115.528 109.793 5.735 1
1 4 . 7 1 1 A 2 2 SER H H -4 8.751 7.815 0.936 1
1 5 . 7 1 1 A 2 2 SER CA C -4 57.819 56.945 0.874 1
1 6 . 7 1 1 A 2 2 SER HA H -4 4.461 4.373 0.088 1
1 7 . 7 1 1 A 2 2 SER CB C -4 63.389 64.738 -1.349 1
1 8 . 7 1 1 A 2 2 SER C C -4 173.924 172.729 1.195 1
1 9 . 7 1 1 A 3 3 HIS N N -3 120.998 119.651 1.347 1
1 10 . 7 1 1 A 3 3 HIS H H -3 8.769 8.251 0.518 1
1 11 . 7 1 1 A 3 3 HIS CA C -3 55.238 55.218 0.020 1
1 12 . 7 1 1 A 3 3 HIS HA H -3 4.703 4.797 -0.094 1
1 13 . 7 1 1 A 3 3 HIS CB C -3 28.916 28.669 0.247 1
1 16 . 7 1 1 A 3 3 HIS C C -3 174.207 174.526 -0.319 1
1 17 . 7 1 1 A 4 4 MET N N -2 122.227 124.785 -2.558 1
1 18 . 7 1 1 A 4 4 MET H H -2 8.518 8.523 -0.005 1
1 19 . 7 1 1 A 4 4 MET CA C -2 55.003 54.092 0.911 1
1 20 . 7 1 1 A 4 4 MET HA H -2 4.420 4.717 -0.297 1
1 21 . 7 1 1 A 4 4 MET CB C -2 32.578 33.405 -0.827 1
1 31 . 7 1 1 A 4 4 MET C C -2 175.475 175.474 0.001 1
1 49 . 7 1 1 A 7 7 ALA N N 2 124.543 123.443 1.100 1
1 50 . 7 1 1 A 7 7 ALA H H 2 8.453 8.331 0.122 1
1 51 . 7 1 1 A 7 7 ALA CA C 2 53.203 54.898 -1.695 1
1 52 . 7 1 1 A 7 7 ALA HA H 2 4.211 4.072 0.139 1
1 56 . 7 1 1 A 7 7 ALA CB C 2 18.387 18.257 0.130 1
1 57 . 7 1 1 A 7 7 ALA C C 2 178.091 179.770 -1.679 1
1 58 . 7 1 1 A 8 8 ASP N N 3 118.618 118.388 0.230 1
1 59 . 7 1 1 A 8 8 ASP H H 3 8.064 7.995 0.069 1
1 60 . 7 1 1 A 8 8 ASP CA C 3 54.381 57.276 -2.895 1
1 61 . 7 1 1 A 8 8 ASP HA H 3 4.551 4.504 0.047 1
1 62 . 7 1 1 A 8 8 ASP CB C 3 40.446 40.848 -0.402 1
1 65 . 7 1 1 A 8 8 ASP C C 3 176.662 178.472 -1.810 1
1 66 . 7 1 1 A 9 9 LEU N N 4 123.427 121.415 2.012 1
1 67 . 7 1 1 A 9 9 LEU H H 4 8.202 7.681 0.521 1
1 68 . 7 1 1 A 9 9 LEU CA C 4 57.491 57.935 -0.444 1
1 69 . 7 1 1 A 9 9 LEU HA H 4 4.084 4.058 0.026 1
1 70 . 7 1 1 A 9 9 LEU CB C 4 41.745 41.700 0.045 1
1 80 . 7 1 1 A 9 9 LEU C C 4 178.873 178.674 0.199 1
1 81 . 7 1 1 A 10 10 VAL N N 5 119.385 119.244 0.141 1
1 82 . 7 1 1 A 10 10 VAL H H 5 8.186 8.452 -0.266 1
1 83 . 7 1 1 A 10 10 VAL CA C 5 66.686 66.774 -0.088 1
1 84 . 7 1 1 A 10 10 VAL HA H 5 3.435 3.550 -0.115 1
1 85 . 7 1 1 A 10 10 VAL CB C 5 31.135 31.559 -0.424 1
1 95 . 7 1 1 A 10 10 VAL C C 5 177.408 177.725 -0.317 1
1 96 . 7 1 1 A 11 11 SER N N 6 115.027 115.857 -0.830 1
1 97 . 7 1 1 A 11 11 SER H H 6 8.252 8.111 0.141 1
1 98 . 7 1 1 A 11 11 SER CA C 6 61.229 62.152 -0.923 1
1 99 . 7 1 1 A 11 11 SER HA H 6 4.068 4.160 -0.092 1
1 100 . 7 1 1 A 11 11 SER CB C 6 62.054 62.705 -0.651 1
1 103 . 7 1 1 A 11 11 SER C C 6 176.036 176.467 -0.431 1
1 104 . 7 1 1 A 12 12 SER N N 7 115.144 117.318 -2.174 1
1 105 . 7 1 1 A 12 12 SER H H 7 8.053 8.146 -0.093 1
1 106 . 7 1 1 A 12 12 SER CA C 7 60.212 61.762 -1.550 1
1 107 . 7 1 1 A 12 12 SER HA H 7 4.309 4.165 0.144 1
1 108 . 7 1 1 A 12 12 SER CB C 7 62.720 63.060 -0.340 1
1 111 . 7 1 1 A 12 12 SER C C 7 176.540 176.534 0.006 1
1 112 . 7 1 1 A 13 13 CYS N N 8 118.211 119.152 -0.941 1
1 113 . 7 1 1 A 13 13 CYS H H 8 7.919 8.740 -0.821 1
1 114 . 7 1 1 A 13 13 CYS CA C 8 63.729 63.955 -0.226 1
1 115 . 7 1 1 A 13 13 CYS HA H 8 4.046 4.200 -0.154 1
1 116 . 7 1 1 A 13 13 CYS CB C 8 26.703 27.067 -0.364 1
1 119 . 7 1 1 A 13 13 CYS C C 8 175.645 177.132 -1.487 1
1 120 . 7 1 1 A 14 14 LYS N N 9 120.074 121.447 -1.373 1
1 121 . 7 1 1 A 14 14 LYS H H 9 8.632 8.230 0.402 1
1 122 . 7 1 1 A 14 14 LYS CA C 9 60.438 59.518 0.920 1
1 123 . 7 1 1 A 14 14 LYS HA H 9 3.668 4.079 -0.411 1
1 124 . 7 1 1 A 14 14 LYS CB C 9 31.655 32.185 -0.530 1
1 136 . 7 1 1 A 14 14 LYS C C 9 177.590 178.082 -0.492 1
1 137 . 7 1 1 A 15 15 ASP N N 10 117.611 119.591 -1.980 1
1 138 . 7 1 1 A 15 15 ASP H H 10 7.732 8.194 -0.462 1
1 139 . 7 1 1 A 15 15 ASP CA C 10 56.325 57.457 -1.132 1
1 140 . 7 1 1 A 15 15 ASP HA H 10 4.320 4.313 0.007 1
1 141 . 7 1 1 A 15 15 ASP CB C 10 40.092 41.698 -1.606 1
1 144 . 7 1 1 A 15 15 ASP C C 10 177.731 178.819 -1.088 1
1 145 . 7 1 1 A 16 16 LYS N N 11 117.878 118.499 -0.621 1
1 146 . 7 1 1 A 16 16 LYS H H 11 7.254 7.924 -0.670 1
1 147 . 7 1 1 A 16 16 LYS CA C 11 58.984 59.507 -0.523 1
1 148 . 7 1 1 A 16 16 LYS HA H 11 3.662 4.111 -0.449 1
1 149 . 7 1 1 A 16 16 LYS CB C 11 32.933 32.694 0.239 1
1 158 . 7 1 1 A 16 16 LYS C C 11 177.350 178.784 -1.434 1
1 159 . 7 1 1 A 17 17 LEU N N 12 115.652 122.105 -6.453 1
1 160 . 7 1 1 A 17 17 LEU H H 12 8.138 8.478 -0.340 1
1 161 . 7 1 1 A 17 17 LEU CA C 12 56.722 58.112 -1.390 1
1 162 . 7 1 1 A 17 17 LEU HA H 12 3.588 4.219 -0.631 1
1 163 . 7 1 1 A 17 17 LEU CB C 12 41.870 41.378 0.492 1
1 174 . 7 1 1 A 17 17 LEU C C 12 177.545 178.641 -1.096 1
1 175 . 7 1 1 A 18 18 ALA N N 13 116.045 120.990 -4.945 1
1 176 . 7 1 1 A 18 18 ALA H H 13 7.080 8.627 -1.547 1
1 177 . 7 1 1 A 18 18 ALA CA C 13 53.475 54.780 -1.305 1
1 178 . 7 1 1 A 18 18 ALA HA H 13 3.984 4.106 -0.122 1
1 182 . 7 1 1 A 18 18 ALA CB C 13 18.121 18.511 -0.390 1
1 183 . 7 1 1 A 18 18 ALA C C 13 178.298 179.795 -1.497 1
1 184 . 7 1 1 A 19 19 TYR N N 14 115.556 119.213 -3.657 1
1 185 . 7 1 1 A 19 19 TYR H H 14 7.675 7.691 -0.016 1
1 186 . 7 1 1 A 19 19 TYR CA C 14 58.741 59.715 -0.974 1
1 187 . 7 1 1 A 19 19 TYR HA H 14 4.323 4.136 0.187 1
1 188 . 7 1 1 A 19 19 TYR CB C 14 38.610 39.093 -0.483 1
1 193 . 7 1 1 A 19 19 TYR C C 14 176.007 175.688 0.319 1
1 194 . 7 1 1 A 20 20 PHE N N 15 118.275 119.427 -1.152 1
1 195 . 7 1 1 A 20 20 PHE H H 15 7.406 7.817 -0.411 1
1 196 . 7 1 1 A 20 20 PHE CA C 15 56.542 56.849 -0.307 1
1 197 . 7 1 1 A 20 20 PHE HA H 15 4.652 4.726 -0.074 1
1 198 . 7 1 1 A 20 20 PHE CB C 15 38.561 40.450 -1.889 1
1 202 . 7 1 1 A 20 20 PHE C C 15 176.160 175.571 0.589 1
1 203 . 7 1 1 A 21 21 ARG N N 16 119.140 122.362 -3.222 1
1 204 . 7 1 1 A 21 21 ARG H H 16 8.714 8.647 0.067 1
1 205 . 7 1 1 A 21 21 ARG CA C 16 54.474 56.382 -1.908 1
1 206 . 7 1 1 A 21 21 ARG HA H 16 4.747 4.305 0.442 1
1 207 . 7 1 1 A 21 21 ARG CB C 16 30.097 31.225 -1.128 1
1 223 . 7 1 1 A 21 21 ARG C C 16 177.095 177.787 -0.692 1
1 224 . 7 1 1 A 22 22 ILE N N 17 120.734 122.210 -1.476 1
1 225 . 7 1 1 A 22 22 ILE H H 17 8.708 8.753 -0.045 1
1 226 . 7 1 1 A 22 22 ILE CA C 17 65.114 64.724 0.390 1
1 227 . 7 1 1 A 22 22 ILE HA H 17 3.740 3.694 0.046 1
1 228 . 7 1 1 A 22 22 ILE CB C 17 36.768 37.591 -0.823 1
1 241 . 7 1 1 A 22 22 ILE C C 17 176.639 177.835 -1.196 1
1 242 . 7 1 1 A 23 23 LYS N N 18 118.184 121.933 -3.749 1
1 243 . 7 1 1 A 23 23 LYS H H 18 8.267 8.166 0.101 1
1 244 . 7 1 1 A 23 23 LYS CA C 18 59.978 59.657 0.321 1
1 245 . 7 1 1 A 23 23 LYS HA H 18 3.909 3.904 0.005 1
1 246 . 7 1 1 A 23 23 LYS CB C 18 32.191 32.434 -0.243 1
1 258 . 7 1 1 A 23 23 LYS C C 18 178.185 178.830 -0.645 1
1 259 . 7 1 1 A 24 24 GLU N N 19 117.651 118.953 -1.302 1
1 260 . 7 1 1 A 24 24 GLU H H 19 7.198 8.113 -0.915 1
1 261 . 7 1 1 A 24 24 GLU CA C 19 60.601 59.166 1.435 1
1 262 . 7 1 1 A 24 24 GLU HA H 19 4.056 3.879 0.177 1
1 263 . 7 1 1 A 24 24 GLU CB C 19 28.859 29.476 -0.617 1
1 269 . 7 1 1 A 24 24 GLU C C 19 178.542 179.096 -0.554 1
1 270 . 7 1 1 A 25 25 LEU N N 20 119.236 120.083 -0.847 1
1 271 . 7 1 1 A 25 25 LEU H H 20 7.980 8.199 -0.219 1
1 272 . 7 1 1 A 25 25 LEU CA C 20 57.812 57.972 -0.160 1
1 273 . 7 1 1 A 25 25 LEU HA H 20 3.947 3.988 -0.041 1
1 274 . 7 1 1 A 25 25 LEU CB C 20 42.172 41.014 1.158 1
1 281 . 7 1 1 A 25 25 LEU C C 20 178.081 179.098 -1.017 1
1 282 . 7 1 1 A 26 26 LYS N N 21 117.457 121.153 -3.696 1
1 283 . 7 1 1 A 26 26 LYS H H 21 8.770 8.295 0.475 1
1 284 . 7 1 1 A 26 26 LYS CA C 21 60.741 59.840 0.901 1
1 285 . 7 1 1 A 26 26 LYS HA H 21 3.806 3.933 -0.127 1
1 286 . 7 1 1 A 26 26 LYS CB C 21 31.876 32.165 -0.289 1
1 287 . 7 1 1 A 26 26 LYS C C 21 177.659 178.667 -1.008 1
1 288 . 7 1 1 A 27 27 ASP N N 22 119.023 119.689 -0.666 1
1 289 . 7 1 1 A 27 27 ASP H H 22 7.671 8.097 -0.426 1
1 290 . 7 1 1 A 27 27 ASP CA C 22 56.971 57.141 -0.170 1
1 291 . 7 1 1 A 27 27 ASP HA H 22 4.409 4.470 -0.061 1
1 292 . 7 1 1 A 27 27 ASP CB C 22 40.196 40.497 -0.301 1
1 295 . 7 1 1 A 27 27 ASP C C 22 180.796 179.044 1.752 1
1 296 . 7 1 1 A 28 28 ILE N N 23 119.318 120.378 -1.060 1
1 297 . 7 1 1 A 28 28 ILE H H 23 8.039 7.724 0.315 1
1 298 . 7 1 1 A 28 28 ILE CA C 23 65.328 65.508 -0.180 1
1 299 . 7 1 1 A 28 28 ILE HA H 23 3.601 3.638 -0.037 1
1 300 . 7 1 1 A 28 28 ILE CB C 23 37.309 38.119 -0.810 1
1 313 . 7 1 1 A 28 28 ILE C C 23 177.251 178.324 -1.073 1
1 314 . 7 1 1 A 29 29 LEU N N 24 120.356 121.486 -1.130 1
1 315 . 7 1 1 A 29 29 LEU H H 24 8.220 8.508 -0.288 1
1 316 . 7 1 1 A 29 29 LEU CA C 24 58.535 58.214 0.321 1
1 317 . 7 1 1 A 29 29 LEU HA H 24 3.824 3.980 -0.156 1
1 318 . 7 1 1 A 29 29 LEU CB C 24 39.478 41.451 -1.973 1
1 326 . 7 1 1 A 29 29 LEU C C 24 178.599 178.287 0.312 1
1 327 . 7 1 1 A 30 30 ASN N N 25 117.446 117.309 0.137 1
1 328 . 7 1 1 A 30 30 ASN H H 25 8.687 8.311 0.376 1
1 329 . 7 1 1 A 30 30 ASN CA C 25 56.241 56.880 -0.639 1
1 330 . 7 1 1 A 30 30 ASN HA H 25 4.520 4.369 0.151 1
1 331 . 7 1 1 A 30 30 ASN CB C 25 38.899 39.040 -0.141 1
1 338 . 7 1 1 A 30 30 ASN C C 25 178.958 177.854 1.104 1
1 339 . 7 1 1 A 31 31 GLN N N 26 119.946 117.991 1.955 1
1 340 . 7 1 1 A 31 31 GLN H H 26 8.184 7.767 0.417 1
1 341 . 7 1 1 A 31 31 GLN CA C 26 58.779 58.302 0.477 1
1 342 . 7 1 1 A 31 31 GLN HA H 26 4.055 4.106 -0.051 1
1 343 . 7 1 1 A 31 31 GLN CB C 26 29.109 28.112 0.997 1
1 353 . 7 1 1 A 31 31 GLN C C 26 177.586 178.147 -0.561 1
1 354 . 7 1 1 A 32 32 LEU N N 27 116.979 118.038 -1.059 1
1 355 . 7 1 1 A 32 32 LEU H H 27 7.893 7.626 0.267 1
1 356 . 7 1 1 A 32 32 LEU CA C 27 54.393 55.367 -0.974 1
1 357 . 7 1 1 A 32 32 LEU HA H 27 4.240 4.142 0.098 1
1 358 . 7 1 1 A 32 32 LEU CB C 27 42.566 42.659 -0.093 1
1 369 . 7 1 1 A 32 32 LEU C C 27 175.693 176.972 -1.279 1
1 370 . 7 1 1 A 33 33 GLY N N 28 108.299 105.584 2.715 1
1 371 . 7 1 1 A 33 33 GLY H H 28 7.834 7.812 0.022 1
1 372 . 7 1 1 A 33 33 GLY CA C 28 45.707 45.023 0.684 1
1 373 . 7 1 1 A 33 33 GLY HA2 H 28 3.952 3.967 -0.015 1
1 374 . 7 1 1 A 33 33 GLY HA3 H 28 3.952 3.972 -0.020 1
1 375 . 7 1 1 A 33 33 GLY C C 28 174.317 174.767 -0.450 1
1 376 . 7 1 1 A 34 34 LEU N N 29 120.833 114.154 6.679 1
1 377 . 7 1 1 A 34 34 LEU H H 29 7.986 8.129 -0.143 1
1 378 . 7 1 1 A 34 34 LEU CA C 29 51.600 55.408 -3.808 1
1 379 . 7 1 1 A 34 34 LEU HA H 29 4.760 4.036 0.724 1
1 380 . 7 1 1 A 34 34 LEU CB C 29 43.531 40.756 2.775 1
1 392 . 7 1 1 A 35 35 PRO CA C 30 62.741 62.256 0.485 1
1 393 . 7 1 1 A 35 35 PRO HA H 30 4.365 4.594 -0.229 1
1 394 . 7 1 1 A 35 35 PRO CB C 30 31.856 33.279 -1.423 1
1 402 . 7 1 1 A 35 35 PRO C C 30 177.334 176.714 0.620 1
1 403 . 7 1 1 A 36 36 LYS N N 31 117.589 118.708 -1.119 1
1 404 . 7 1 1 A 36 36 LYS H H 31 8.380 8.558 -0.178 1
1 405 . 7 1 1 A 36 36 LYS CA C 31 55.569 57.453 -1.884 1
1 406 . 7 1 1 A 36 36 LYS HA H 31 4.288 4.077 0.211 1
1 407 . 7 1 1 A 36 36 LYS CB C 31 33.225 31.814 1.411 1
1 417 . 7 1 1 A 36 36 LYS C C 31 174.406 176.026 -1.620 1
1 418 . 7 1 1 A 37 37 GLN N N 32 118.260 115.360 2.900 1
1 419 . 7 1 1 A 37 37 GLN H H 32 7.698 7.989 -0.291 1
1 420 . 7 1 1 A 37 37 GLN CA C 32 55.716 58.062 -2.346 1
1 421 . 7 1 1 A 37 37 GLN HA H 32 4.392 4.228 0.164 1
1 422 . 7 1 1 A 37 37 GLN CB C 32 28.251 27.443 0.808 1
1 432 . 7 1 1 A 37 37 GLN C C 32 175.122 174.193 0.929 1
1 433 . 7 1 1 A 38 38 GLY N N 33 109.855 108.397 1.458 1
1 434 . 7 1 1 A 38 38 GLY H H 33 8.449 8.465 -0.016 1
1 435 . 7 1 1 A 38 38 GLY CA C 33 43.315 44.751 -1.436 1
1 436 . 7 1 1 A 38 38 GLY HA2 H 33 4.600 4.167 0.433 1
1 437 . 7 1 1 A 38 38 GLY HA3 H 33 3.803 4.168 -0.365 1
1 438 . 7 1 1 A 38 38 GLY C C 33 173.537 172.756 0.781 1
1 439 . 7 1 1 A 39 39 LYS N N 34 117.627 121.165 -3.538 1
1 440 . 7 1 1 A 39 39 LYS H H 34 8.649 8.477 0.172 1
1 441 . 7 1 1 A 39 39 LYS CA C 34 54.916 56.283 -1.367 1
1 442 . 7 1 1 A 39 39 LYS HA H 34 4.395 4.352 0.043 1
1 443 . 7 1 1 A 39 39 LYS CB C 34 32.893 33.377 -0.484 1
1 455 . 7 1 1 A 39 39 LYS C C 34 176.803 178.145 -1.342 1
1 456 . 7 1 1 A 40 40 LYS N N 35 121.705 124.204 -2.499 1
1 457 . 7 1 1 A 40 40 LYS H H 35 8.920 8.995 -0.075 1
1 458 . 7 1 1 A 40 40 LYS CA C 35 61.574 60.185 1.389 1
1 459 . 7 1 1 A 40 40 LYS HA H 35 3.599 3.911 -0.312 1
1 460 . 7 1 1 A 40 40 LYS CB C 35 31.924 32.193 -0.269 1
1 472 . 7 1 1 A 40 40 LYS C C 35 177.366 178.009 -0.643 1
1 473 . 7 1 1 A 41 41 GLN N N 36 114.634 118.290 -3.656 1
1 474 . 7 1 1 A 41 41 GLN H H 36 9.017 7.882 1.135 1
1 475 . 7 1 1 A 41 41 GLN CA C 36 57.636 58.916 -1.280 1
1 476 . 7 1 1 A 41 41 GLN HA H 36 3.731 4.036 -0.305 1
1 477 . 7 1 1 A 41 41 GLN CB C 36 27.865 28.161 -0.296 1
1 487 . 7 1 1 A 41 41 GLN C C 36 176.872 178.127 -1.255 1
1 488 . 7 1 1 A 42 42 ASP N N 37 115.980 120.447 -4.467 1
1 489 . 7 1 1 A 42 42 ASP H H 37 7.047 8.140 -1.093 1
1 490 . 7 1 1 A 42 42 ASP CA C 37 56.593 57.521 -0.928 1
1 491 . 7 1 1 A 42 42 ASP HA H 37 4.297 4.296 0.001 1
1 492 . 7 1 1 A 42 42 ASP CB C 37 39.839 40.476 -0.637 1
1 495 . 7 1 1 A 42 42 ASP C C 37 178.454 178.899 -0.445 1
1 496 . 7 1 1 A 43 43 LEU N N 38 119.074 120.147 -1.073 1
1 497 . 7 1 1 A 43 43 LEU H H 38 7.725 8.240 -0.515 1
1 498 . 7 1 1 A 43 43 LEU CA C 38 57.713 57.976 -0.263 1
1 499 . 7 1 1 A 43 43 LEU HA H 38 3.787 3.967 -0.180 1
1 500 . 7 1 1 A 43 43 LEU CB C 38 40.214 42.246 -2.032 1
1 513 . 7 1 1 A 43 43 LEU C C 38 177.872 179.003 -1.131 1
1 514 . 7 1 1 A 44 44 ILE N N 39 118.343 118.848 -0.505 1
1 515 . 7 1 1 A 44 44 ILE H H 39 7.867 8.131 -0.264 1
1 516 . 7 1 1 A 44 44 ILE CA C 39 66.090 65.786 0.304 1
1 517 . 7 1 1 A 44 44 ILE HA H 39 3.321 3.509 -0.188 1
1 518 . 7 1 1 A 44 44 ILE CB C 39 38.013 37.809 0.204 1
1 528 . 7 1 1 A 44 44 ILE C C 39 177.711 177.700 0.011 1
1 529 . 7 1 1 A 45 45 ASP N N 40 118.533 121.016 -2.483 1
1 530 . 7 1 1 A 45 45 ASP H H 40 8.503 8.340 0.163 1
1 531 . 7 1 1 A 45 45 ASP CA C 40 57.009 57.370 -0.361 1
1 532 . 7 1 1 A 45 45 ASP HA H 40 4.272 4.419 -0.147 1
1 533 . 7 1 1 A 45 45 ASP CB C 40 39.419 41.054 -1.635 1
1 536 . 7 1 1 A 45 45 ASP C C 40 178.392 178.711 -0.319 1
1 537 . 7 1 1 A 46 46 ARG N N 41 120.911 119.995 0.916 1
1 538 . 7 1 1 A 46 46 ARG H H 41 7.717 8.018 -0.301 1
1 539 . 7 1 1 A 46 46 ARG CA C 41 59.048 59.488 -0.440 1
1 540 . 7 1 1 A 46 46 ARG HA H 41 3.991 4.092 -0.101 1
1 541 . 7 1 1 A 46 46 ARG CB C 41 29.817 30.274 -0.457 1
1 550 . 7 1 1 A 46 46 ARG C C 41 177.537 178.515 -0.978 1
1 551 . 7 1 1 A 47 47 VAL N N 42 117.438 119.674 -2.236 1
1 552 . 7 1 1 A 47 47 VAL H H 42 7.445 7.938 -0.493 1
1 553 . 7 1 1 A 47 47 VAL CA C 42 65.881 66.409 -0.528 1
1 554 . 7 1 1 A 47 47 VAL HA H 42 3.442 3.668 -0.226 1
1 555 . 7 1 1 A 47 47 VAL CB C 42 30.931 31.682 -0.751 1
1 565 . 7 1 1 A 47 47 VAL C C 42 177.671 178.180 -0.509 1
1 566 . 7 1 1 A 48 48 LEU N N 43 117.085 117.809 -0.724 1
1 567 . 7 1 1 A 48 48 LEU H H 43 8.466 8.027 0.439 1
1 568 . 7 1 1 A 48 48 LEU CA C 43 57.248 57.818 -0.570 1
1 569 . 7 1 1 A 48 48 LEU HA H 43 3.847 3.957 -0.110 1
1 570 . 7 1 1 A 48 48 LEU CB C 43 40.720 41.231 -0.511 1
1 583 . 7 1 1 A 48 48 LEU C C 43 179.581 179.475 0.106 1
1 584 . 7 1 1 A 49 49 ALA N N 44 120.479 122.016 -1.537 1
1 585 . 7 1 1 A 49 49 ALA H H 44 7.953 8.056 -0.103 1
1 586 . 7 1 1 A 49 49 ALA CA C 44 53.997 54.586 -0.589 1
1 587 . 7 1 1 A 49 49 ALA HA H 44 4.123 4.142 -0.019 1
1 591 . 7 1 1 A 49 49 ALA CB C 44 17.631 18.299 -0.668 1
1 592 . 7 1 1 A 49 49 ALA C C 44 178.926 179.586 -0.660 1
1 593 . 7 1 1 A 50 50 LEU N N 45 115.306 120.579 -5.273 1
1 594 . 7 1 1 A 50 50 LEU H H 45 7.428 7.778 -0.350 1
1 595 . 7 1 1 A 50 50 LEU CA C 45 55.652 57.614 -1.962 1
1 596 . 7 1 1 A 50 50 LEU HA H 45 4.219 4.122 0.097 1
1 597 . 7 1 1 A 50 50 LEU CB C 45 41.846 41.896 -0.050 1
1 610 . 7 1 1 A 50 50 LEU C C 45 177.840 178.778 -0.938 1
1 611 . 7 1 1 A 51 51 LEU N N 46 115.880 118.671 -2.791 1
1 612 . 7 1 1 A 51 51 LEU H H 46 7.642 8.052 -0.410 1
1 613 . 7 1 1 A 51 51 LEU CA C 46 54.693 56.460 -1.767 1
1 614 . 7 1 1 A 51 51 LEU HA H 46 4.265 4.212 0.053 1
1 615 . 7 1 1 A 51 51 LEU CB C 46 42.040 41.867 0.173 1
1 625 . 7 1 1 A 51 51 LEU C C 46 176.015 177.677 -1.662 1
1 626 . 7 1 1 A 52 52 THR N N 47 109.201 113.090 -3.889 1
1 627 . 7 1 1 A 52 52 THR H H 47 7.516 7.496 0.020 1
1 628 . 7 1 1 A 52 52 THR CA C 47 60.834 64.620 -3.786 1
1 629 . 7 1 1 A 52 52 THR HA H 47 4.348 4.300 0.048 1
1 630 . 7 1 1 A 52 52 THR CB C 47 69.704 69.412 0.292 1
1 636 . 7 1 1 A 52 52 THR C C 47 173.733 175.502 -1.769 1
1 637 . 7 1 1 A 53 53 ASP N N 48 122.188 119.060 3.128 1
1 638 . 7 1 1 A 53 53 ASP H H 48 8.280 8.280 0.000 1
1 639 . 7 1 1 A 53 53 ASP CA C 48 54.185 56.193 -2.008 1
1 640 . 7 1 1 A 53 53 ASP HA H 48 4.699 4.535 0.164 1
1 641 . 7 1 1 A 53 53 ASP CB C 48 40.749 40.390 0.359 1
1 645 . 7 1 1 A 53 53 ASP C C 48 176.000 176.742 -0.742 1
1 646 . 7 1 1 A 54 54 GLU N N 49 121.966 118.493 3.473 1
1 647 . 7 1 1 A 54 54 GLU H H 49 8.588 7.793 0.795 1
1 648 . 7 1 1 A 54 54 GLU CA C 49 56.604 55.570 1.034 1
1 649 . 7 1 1 A 54 54 GLU HA H 49 4.229 4.711 -0.482 1
1 650 . 7 1 1 A 54 54 GLU CB C 49 29.642 30.814 -1.172 1
1 656 . 7 1 1 A 54 54 GLU C C 49 176.589 176.797 -0.208 1
1 657 . 7 1 1 A 55 55 GLN N N 50 120.727 119.512 1.215 1
1 658 . 7 1 1 A 55 55 GLN H H 50 8.642 7.826 0.816 1
1 659 . 7 1 1 A 55 55 GLN CA C 50 56.165 56.795 -0.630 1
1 660 . 7 1 1 A 55 55 GLN HA H 50 4.226 4.130 0.096 1
1 661 . 7 1 1 A 55 55 GLN CB C 50 28.555 28.438 0.117 1
1 671 . 7 1 1 A 55 55 GLN C C 50 176.554 176.507 0.047 1
1 672 . 7 1 1 A 56 56 GLY N N 51 109.357 107.370 1.987 1
1 673 . 7 1 1 A 56 56 GLY H H 51 8.519 7.401 1.118 1
1 674 . 7 1 1 A 56 56 GLY CA C 51 45.276 45.444 -0.168 1
1 675 . 7 1 1 A 56 56 GLY HA2 H 51 3.951 4.174 -0.223 1
1 676 . 7 1 1 A 56 56 GLY HA3 H 51 3.815 4.224 -0.409 1
1 677 . 7 1 1 A 56 56 GLY C C 51 174.146 174.626 -0.480 1
1 678 . 7 1 1 A 57 57 GLN N N 52 119.207 118.566 0.641 1
1 679 . 7 1 1 A 57 57 GLN H H 52 8.263 8.191 0.072 1
1 680 . 7 1 1 A 57 57 GLN CA C 52 55.650 55.739 -0.089 1
1 681 . 7 1 1 A 57 57 GLN HA H 52 4.217 4.511 -0.294 1
1 682 . 7 1 1 A 57 57 GLN CB C 52 28.723 29.262 -0.539 1
1 692 . 7 1 1 A 57 57 GLN C C 52 175.872 176.308 -0.436 1
1 693 . 7 1 1 A 58 58 ARG N N 53 120.525 119.316 1.209 1
1 694 . 7 1 1 A 58 58 ARG H H 53 8.279 7.946 0.333 1
1 695 . 7 1 1 A 58 58 ARG CA C 53 55.854 55.045 0.809 1
1 696 . 7 1 1 A 58 58 ARG HA H 53 4.204 4.643 -0.439 1
1 697 . 7 1 1 A 58 58 ARG CB C 53 29.944 31.724 -1.780 1
1 708 . 7 1 1 A 58 58 ARG C C 53 175.819 175.935 -0.116 1
1 709 . 7 1 1 A 59 59 HIS N N 54 118.905 117.348 1.557 1
1 710 . 7 1 1 A 59 59 HIS H H 54 8.397 8.241 0.156 1
1 711 . 7 1 1 A 59 59 HIS CA C 54 55.130 56.768 -1.638 1
1 712 . 7 1 1 A 59 59 HIS HA H 54 4.554 4.210 0.344 1
1 713 . 7 1 1 A 59 59 HIS CB C 54 28.953 28.211 0.742 1
1 716 . 7 1 1 A 59 59 HIS C C 54 174.248 174.594 -0.346 1
1 717 . 7 1 1 A 60 60 HIS N N 55 119.527 121.223 -1.696 1
1 718 . 7 1 1 A 60 60 HIS H H 55 8.493 7.966 0.527 1
1 719 . 7 1 1 A 60 60 HIS CA C 55 55.589 55.692 -0.103 1
1 720 . 7 1 1 A 60 60 HIS HA H 55 4.553 3.753 0.800 1
1 721 . 7 1 1 A 60 60 HIS CB C 55 28.913 30.307 -1.394 1
1 724 . 7 1 1 A 60 60 HIS C C 55 174.759 175.103 -0.344 1
1 725 . 7 1 1 A 61 61 GLY N N 56 110.215 108.001 2.214 1
1 726 . 7 1 1 A 61 61 GLY H H 56 8.604 7.613 0.991 1
1 727 . 7 1 1 A 61 61 GLY CA C 56 44.977 45.058 -0.081 1
1 728 . 7 1 1 A 61 61 GLY HA2 H 56 3.958 3.526 0.432 1
1 729 . 7 1 1 A 61 61 GLY HA3 H 56 3.833 3.662 0.171 1
1 730 . 7 1 1 A 61 61 GLY C C 56 173.752 174.427 -0.675 1
1 731 . 7 1 1 A 62 62 TRP N N 57 120.700 118.462 2.238 1
1 732 . 7 1 1 A 62 62 TRP H H 57 8.175 7.430 0.745 1
1 733 . 7 1 1 A 62 62 TRP CA C 57 56.935 58.219 -1.284 1
1 734 . 7 1 1 A 62 62 TRP HA H 57 4.658 4.754 -0.096 1
1 735 . 7 1 1 A 62 62 TRP CB C 57 29.018 30.957 -1.939 1
1 750 . 7 1 1 A 62 62 TRP C C 57 176.442 177.546 -1.104 1
1 751 . 7 1 1 A 63 63 GLY N N 58 110.195 108.572 1.623 1
1 752 . 7 1 1 A 63 63 GLY H H 58 8.452 8.640 -0.188 1
1 753 . 7 1 1 A 63 63 GLY CA C 58 45.052 45.653 -0.601 1
1 754 . 7 1 1 A 63 63 GLY HA2 H 58 3.925 4.074 -0.149 1
1 755 . 7 1 1 A 63 63 GLY HA3 H 58 3.833 4.128 -0.295 1
1 756 . 7 1 1 A 63 63 GLY C C 58 173.738 175.524 -1.786 1
1 757 . 7 1 1 A 64 64 ARG N N 59 120.374 120.376 -0.002 1
1 758 . 7 1 1 A 64 64 ARG H H 59 8.136 8.163 -0.027 1
1 759 . 7 1 1 A 64 64 ARG CA C 59 55.779 56.747 -0.968 1
1 760 . 7 1 1 A 64 64 ARG HA H 59 4.287 4.389 -0.102 1
1 761 . 7 1 1 A 64 64 ARG CB C 59 30.244 30.586 -0.342 1
1 772 . 7 1 1 A 64 64 ARG C C 59 176.269 177.020 -0.751 1
1 773 . 7 1 1 A 65 65 LYS N N 60 121.590 116.241 5.349 1
1 774 . 7 1 1 A 65 65 LYS H H 60 8.483 7.968 0.515 1
1 775 . 7 1 1 A 65 65 LYS CA C 60 56.435 55.365 1.070 1
1 776 . 7 1 1 A 65 65 LYS HA H 60 4.226 4.570 -0.344 1
1 777 . 7 1 1 A 65 65 LYS CB C 60 32.259 32.841 -0.582 1
1 783 . 7 1 1 A 65 65 LYS C C 60 176.075 176.804 -0.729 1
1 784 . 7 1 1 A 66 66 ASN N N 61 118.654 119.753 -1.099 1
1 785 . 7 1 1 A 66 66 ASN H H 61 8.413 8.410 0.003 1
1 786 . 7 1 1 A 66 66 ASN CA C 61 53.042 53.784 -0.742 1
1 787 . 7 1 1 A 66 66 ASN HA H 61 4.651 4.708 -0.057 1
1 788 . 7 1 1 A 66 66 ASN CB C 61 38.348 37.684 0.664 1
1 795 . 7 1 1 A 66 66 ASN C C 61 174.530 175.919 -1.389 1
1 796 . 7 1 1 A 67 67 SER N N 62 115.494 115.026 0.468 1
1 797 . 7 1 1 A 67 67 SER H H 62 8.289 8.169 0.120 1
1 798 . 7 1 1 A 67 67 SER CA C 62 58.090 58.089 0.001 1
1 799 . 7 1 1 A 67 67 SER HA H 62 4.294 4.581 -0.287 1
1 800 . 7 1 1 A 67 67 SER CB C 62 63.205 61.034 2.171 1
1 803 . 7 1 1 A 67 67 SER C C 62 173.894 174.378 -0.484 1
1 804 . 7 1 1 A 68 68 LEU N N 63 123.552 118.912 4.640 1
1 805 . 7 1 1 A 68 68 LEU H H 63 8.063 8.167 -0.104 1
1 806 . 7 1 1 A 68 68 LEU CA C 63 54.124 53.990 0.134 1
1 807 . 7 1 1 A 68 68 LEU HA H 63 4.495 4.514 -0.019 1
1 808 . 7 1 1 A 68 68 LEU CB C 63 42.447 42.468 -0.021 1
1 821 . 7 1 1 A 68 68 LEU C C 63 176.587 175.630 0.957 1
1 822 . 7 1 1 A 69 69 THR N N 64 112.637 113.990 -1.353 1
1 823 . 7 1 1 A 69 69 THR H H 64 7.797 7.019 0.778 1
1 824 . 7 1 1 A 69 69 THR CA C 64 60.021 60.752 -0.731 1
1 825 . 7 1 1 A 69 69 THR HA H 64 4.490 4.838 -0.348 1
1 826 . 7 1 1 A 69 69 THR CB C 64 70.896 72.588 -1.692 1
1 832 . 7 1 1 A 69 69 THR C C 64 174.998 175.292 -0.294 1
1 833 . 7 1 1 A 70 70 LYS N N 65 120.128 123.251 -3.123 1
1 834 . 7 1 1 A 70 70 LYS H H 65 9.059 8.925 0.134 1
1 835 . 7 1 1 A 70 70 LYS CA C 65 59.374 59.133 0.241 1
1 836 . 7 1 1 A 70 70 LYS HA H 65 3.941 4.031 -0.090 1
1 837 . 7 1 1 A 70 70 LYS CB C 65 31.830 31.927 -0.097 1
1 843 . 7 1 1 A 70 70 LYS C C 65 177.539 178.606 -1.067 1
1 844 . 7 1 1 A 71 71 GLU N N 66 117.667 119.813 -2.146 1
1 845 . 7 1 1 A 71 71 GLU H H 66 8.699 8.652 0.047 1
1 846 . 7 1 1 A 71 71 GLU CA C 66 60.307 59.301 1.006 1
1 847 . 7 1 1 A 71 71 GLU HA H 66 3.812 4.101 -0.289 1
1 848 . 7 1 1 A 71 71 GLU CB C 66 27.903 29.792 -1.889 1
1 855 . 7 1 1 A 71 71 GLU C C 66 178.499 179.071 -0.572 1
1 856 . 7 1 1 A 72 72 ALA N N 67 123.914 122.558 1.356 1
1 857 . 7 1 1 A 72 72 ALA H H 67 7.991 7.668 0.323 1
1 858 . 7 1 1 A 72 72 ALA CA C 67 54.601 55.030 -0.429 1
1 859 . 7 1 1 A 72 72 ALA HA H 67 4.116 4.100 0.016 1
1 863 . 7 1 1 A 72 72 ALA CB C 67 18.288 18.486 -0.198 1
1 864 . 7 1 1 A 72 72 ALA C C 67 178.721 179.664 -0.943 1
1 865 . 7 1 1 A 73 73 VAL N N 68 119.435 117.905 1.530 1
1 866 . 7 1 1 A 73 73 VAL H H 68 8.045 8.101 -0.056 1
1 867 . 7 1 1 A 73 73 VAL CA C 68 66.211 66.682 -0.471 1
1 868 . 7 1 1 A 73 73 VAL HA H 68 3.470 3.562 -0.092 1
1 869 . 7 1 1 A 73 73 VAL CB C 68 31.103 31.593 -0.490 1
1 879 . 7 1 1 A 73 73 VAL C C 68 177.001 178.485 -1.484 1
1 880 . 7 1 1 A 74 74 ALA N N 69 120.667 121.763 -1.096 1
1 881 . 7 1 1 A 74 74 ALA H H 69 8.407 8.100 0.307 1
1 882 . 7 1 1 A 74 74 ALA CA C 69 54.687 55.203 -0.516 1
1 883 . 7 1 1 A 74 74 ALA HA H 69 3.981 4.070 -0.089 1
1 887 . 7 1 1 A 74 74 ALA CB C 69 18.048 18.058 -0.010 1
1 888 . 7 1 1 A 74 74 ALA C C 69 178.865 179.440 -0.575 1
1 889 . 7 1 1 A 75 75 LYS N N 70 118.628 117.869 0.759 1
1 890 . 7 1 1 A 75 75 LYS H H 70 7.930 7.921 0.009 1
1 891 . 7 1 1 A 75 75 LYS CA C 70 58.914 60.038 -1.124 1
1 892 . 7 1 1 A 75 75 LYS HA H 70 4.105 3.981 0.124 1
1 893 . 7 1 1 A 75 75 LYS CB C 70 31.806 32.167 -0.361 1
1 903 . 7 1 1 A 75 75 LYS C C 70 177.409 178.688 -1.279 1
1 904 . 7 1 1 A 76 76 ILE N N 71 120.231 119.499 0.732 1
1 905 . 7 1 1 A 76 76 ILE H H 71 7.478 7.876 -0.398 1
1 906 . 7 1 1 A 76 76 ILE CA C 71 64.835 64.963 -0.128 1
1 907 . 7 1 1 A 76 76 ILE HA H 71 3.973 3.625 0.348 1
1 908 . 7 1 1 A 76 76 ILE CB C 71 37.788 37.894 -0.106 1
1 921 . 7 1 1 A 76 76 ILE C C 71 179.734 177.575 2.159 1
1 922 . 7 1 1 A 77 77 VAL N N 72 122.505 119.532 2.973 1
1 923 . 7 1 1 A 77 77 VAL H H 72 8.325 7.878 0.447 1
1 924 . 7 1 1 A 77 77 VAL CA C 72 67.425 66.615 0.810 1
1 925 . 7 1 1 A 77 77 VAL HA H 72 3.581 3.577 0.004 1
1 926 . 7 1 1 A 77 77 VAL CB C 72 30.885 31.485 -0.600 1
1 936 . 7 1 1 A 77 77 VAL C C 72 176.939 177.047 -0.108 1
1 937 . 7 1 1 A 78 78 ASP N N 73 120.524 120.253 0.271 1
1 938 . 7 1 1 A 78 78 ASP H H 73 8.798 8.027 0.771 1
1 939 . 7 1 1 A 78 78 ASP CA C 73 58.163 57.533 0.630 1
1 940 . 7 1 1 A 78 78 ASP HA H 73 4.392 4.512 -0.120 1
1 941 . 7 1 1 A 78 78 ASP CB C 73 41.459 40.348 1.111 1
1 945 . 7 1 1 A 78 78 ASP C C 73 178.122 178.901 -0.779 1
1 946 . 7 1 1 A 79 79 ASP N N 74 119.762 119.649 0.113 1
1 947 . 7 1 1 A 79 79 ASP H H 74 9.318 8.073 1.245 1
1 948 . 7 1 1 A 79 79 ASP CA C 74 57.122 57.326 -0.204 1
1 949 . 7 1 1 A 79 79 ASP HA H 74 4.405 4.344 0.061 1
1 950 . 7 1 1 A 79 79 ASP CB C 74 39.850 40.902 -1.052 1
1 954 . 7 1 1 A 79 79 ASP C C 74 178.921 178.880 0.041 1
1 955 . 7 1 1 A 80 80 THR N N 75 117.347 116.609 0.738 1
1 956 . 7 1 1 A 80 80 THR H H 75 8.084 8.213 -0.129 1
1 957 . 7 1 1 A 80 80 THR CA C 75 67.055 66.300 0.755 1
1 958 . 7 1 1 A 80 80 THR HA H 75 3.846 3.772 0.074 1
1 959 . 7 1 1 A 80 80 THR CB C 75 67.692 68.055 -0.363 1
1 965 . 7 1 1 A 80 80 THR C C 75 175.367 176.018 -0.651 1
1 966 . 7 1 1 A 81 81 TYR N N 76 123.735 121.221 2.514 1
1 967 . 7 1 1 A 81 81 TYR H H 76 8.830 8.400 0.430 1
1 968 . 7 1 1 A 81 81 TYR CA C 76 61.712 61.916 -0.204 1
1 969 . 7 1 1 A 81 81 TYR HA H 76 4.269 4.431 -0.162 1
1 970 . 7 1 1 A 81 81 TYR CB C 76 38.639 38.918 -0.279 1
1 974 . 7 1 1 A 81 81 TYR C C 76 176.700 177.903 -1.203 1
1 975 . 7 1 1 A 82 82 ARG N N 77 118.508 117.652 0.856 1
1 976 . 7 1 1 A 82 82 ARG H H 77 8.755 8.494 0.261 1
1 977 . 7 1 1 A 82 82 ARG CA C 77 58.776 59.611 -0.835 1
1 978 . 7 1 1 A 82 82 ARG HA H 77 3.892 4.015 -0.123 1
1 979 . 7 1 1 A 82 82 ARG CB C 77 29.459 30.166 -0.707 1
1 995 . 7 1 1 A 82 82 ARG C C 77 178.748 178.533 0.215 1
1 996 . 7 1 1 A 83 83 LYS N N 78 118.075 120.155 -2.080 1
1 997 . 7 1 1 A 83 83 LYS H H 78 7.696 7.926 -0.230 1
1 998 . 7 1 1 A 83 83 LYS CA C 78 58.614 59.174 -0.560 1
1 999 . 7 1 1 A 83 83 LYS HA H 78 4.031 4.180 -0.149 1
1 1000 . 7 1 1 A 83 83 LYS CB C 78 32.055 31.726 0.329 1
1 1005 . 7 1 1 A 83 83 LYS C C 78 177.890 178.667 -0.777 1
1 1006 . 7 1 1 A 84 84 MET N N 79 118.233 119.612 -1.379 1
1 1007 . 7 1 1 A 84 84 MET H H 79 7.748 8.085 -0.337 1
1 1008 . 7 1 1 A 84 84 MET CA C 79 57.254 58.791 -1.537 1
1 1009 . 7 1 1 A 84 84 MET HA H 79 4.189 4.187 0.002 1
1 1010 . 7 1 1 A 84 84 MET CB C 79 32.169 32.618 -0.449 1
1 1020 . 7 1 1 A 84 84 MET C C 79 177.036 176.798 0.238 1
1 1021 . 7 1 1 A 85 85 GLN N N 80 117.242 113.726 3.516 1
1 1022 . 7 1 1 A 85 85 GLN H H 80 7.843 7.576 0.267 1
1 1023 . 7 1 1 A 85 85 GLN CA C 80 56.500 55.413 1.087 1
1 1024 . 7 1 1 A 85 85 GLN HA H 80 3.993 4.626 -0.633 1
1 1025 . 7 1 1 A 85 85 GLN CB C 80 28.124 29.366 -1.242 1
1 1035 . 7 1 1 A 85 85 GLN C C 80 176.756 176.540 0.216 1
1 1036 . 7 1 1 A 86 86 ILE N N 81 119.178 120.775 -1.597 1
1 1037 . 7 1 1 A 86 86 ILE H H 81 7.715 7.494 0.221 1
1 1038 . 7 1 1 A 86 86 ILE CA C 81 61.995 62.987 -0.992 1
1 1039 . 7 1 1 A 86 86 ILE HA H 81 3.948 4.160 -0.212 1
1 1040 . 7 1 1 A 86 86 ILE CB C 81 37.856 38.222 -0.366 1
1 1052 . 7 1 1 A 86 86 ILE C C 81 176.728 176.825 -0.097 1
1 1053 . 7 1 1 A 87 87 GLN N N 82 121.380 120.831 0.549 1
1 1054 . 7 1 1 A 87 87 GLN H H 82 8.164 8.239 -0.075 1
1 1055 . 7 1 1 A 87 87 GLN CA C 82 56.075 57.850 -1.775 1
1 1056 . 7 1 1 A 87 87 GLN HA H 82 4.227 4.326 -0.099 1
1 1057 . 7 1 1 A 87 87 GLN CB C 82 28.735 28.491 0.244 1
1 1066 . 7 1 1 A 87 87 GLN C C 82 175.836 175.319 0.517 1
1 1067 . 7 1 1 A 88 88 CYS N N 83 118.668 117.758 0.910 1
1 1068 . 7 1 1 A 88 88 CYS H H 83 8.238 8.310 -0.072 1
1 1069 . 7 1 1 A 88 88 CYS CA C 83 58.012 58.375 -0.363 1
1 1070 . 7 1 1 A 88 88 CYS HA H 83 4.475 4.611 -0.136 1
1 1071 . 7 1 1 A 88 88 CYS CB C 83 27.697 27.602 0.095 1
1 1074 . 7 1 1 A 88 88 CYS C C 83 173.428 174.143 -0.715 1
1 1075 . 7 1 1 A 89 89 ALA N N 84 127.014 120.606 6.408 1
1 1076 . 7 1 1 A 89 89 ALA H H 84 8.249 7.921 0.328 1
1 1077 . 7 1 1 A 89 89 ALA CA C 84 50.615 52.893 -2.278 1
1 1078 . 7 1 1 A 89 89 ALA HA H 84 4.562 4.157 0.405 1
1 1082 . 7 1 1 A 89 89 ALA CB C 84 17.465 18.055 -0.590 1
1 1083 . 7 1 1 A 89 89 ALA C C 84 175.125 177.733 -2.608 1
1 1085 . 7 1 1 A 90 90 PRO CA C 85 63.085 63.196 -0.111 1
1 1086 . 7 1 1 A 90 90 PRO HA H 85 4.386 4.223 0.163 1
1 1087 . 7 1 1 A 90 90 PRO CB C 85 31.491 31.733 -0.242 1
1 1095 . 7 1 1 A 90 90 PRO C C 85 176.381 176.158 0.223 1
1 1096 . 7 1 1 A 91 91 ASP N N 86 119.209 116.613 2.596 1
1 1097 . 7 1 1 A 91 91 ASP H H 86 8.429 8.088 0.341 1
1 1098 . 7 1 1 A 91 91 ASP CA C 86 53.752 54.714 -0.962 1
1 1099 . 7 1 1 A 91 91 ASP HA H 86 4.394 4.245 0.149 1
1 1100 . 7 1 1 A 91 91 ASP CB C 86 40.319 38.828 1.491 1
1 1103 . 7 1 1 A 91 91 ASP C C 86 176.101 176.123 -0.022 1
1 1104 . 7 1 1 A 92 92 LEU N N 87 122.571 120.905 1.666 1
1 1105 . 7 1 1 A 92 92 LEU H H 87 8.208 7.863 0.345 1
1 1106 . 7 1 1 A 92 92 LEU CA C 87 55.327 58.694 -3.367 1
1 1107 . 7 1 1 A 92 92 LEU HA H 87 4.205 3.898 0.307 1
1 1108 . 7 1 1 A 92 92 LEU CB C 87 41.636 42.010 -0.374 1
1 1121 . 7 1 1 A 92 92 LEU C C 87 177.406 177.306 0.100 1
1 1122 . 7 1 1 A 93 93 ALA N N 88 123.131 119.128 4.003 1
1 1123 . 7 1 1 A 93 93 ALA H H 88 8.305 7.601 0.704 1
1 1124 . 7 1 1 A 93 93 ALA CA C 88 52.823 51.487 1.336 1
1 1125 . 7 1 1 A 93 93 ALA HA H 88 4.245 4.450 -0.205 1
1 1129 . 7 1 1 A 93 93 ALA CB C 88 18.496 19.702 -1.206 1
1 1130 . 7 1 1 A 93 93 ALA C C 88 178.033 176.845 1.188 1
1 1131 . 7 1 1 A 94 94 THR N N 89 112.097 108.374 3.723 1
1 1132 . 7 1 1 A 94 94 THR H H 89 7.994 8.134 -0.140 1
1 1133 . 7 1 1 A 94 94 THR CA C 89 61.892 61.777 0.115 1
1 1134 . 7 1 1 A 94 94 THR HA H 89 4.247 4.080 0.167 1
1 1135 . 7 1 1 A 94 94 THR CB C 89 69.076 68.205 0.871 1
1 1141 . 7 1 1 A 94 94 THR C C 89 174.478 173.840 0.638 1
1 1142 . 7 1 1 A 95 95 ARG N N 90 122.704 128.329 -5.625 1
1 1143 . 7 1 1 A 95 95 ARG H H 90 8.211 8.667 -0.456 1
1 1144 . 7 1 1 A 95 95 ARG CA C 90 55.803 55.406 0.397 1
1 1145 . 7 1 1 A 95 95 ARG HA H 90 4.336 4.458 -0.122 1
1 1146 . 7 1 1 A 95 95 ARG CB C 90 30.263 28.470 1.793 1
1 1157 . 7 1 1 A 95 95 ARG C C 90 175.958 176.224 -0.266 1
1 1158 . 7 1 1 A 96 96 SER N N 91 116.390 114.500 1.890 1
1 1159 . 7 1 1 A 96 96 SER H H 91 8.365 8.291 0.074 1
1 1160 . 7 1 1 A 96 96 SER CA C 91 58.011 57.448 0.563 1
1 1161 . 7 1 1 A 96 96 SER HA H 91 4.383 4.754 -0.371 1
1 1162 . 7 1 1 A 96 96 SER CB C 91 63.261 63.435 -0.174 1
1 1165 . 7 1 1 A 96 96 SER C C 91 174.016 173.785 0.231 1
1 1166 . 7 1 1 A 97 97 HIS N N 92 120.507 122.057 -1.550 1
1 1167 . 7 1 1 A 97 97 HIS H H 92 8.541 8.005 0.536 1
1 1168 . 7 1 1 A 97 97 HIS CA C 92 55.068 54.582 0.486 1
1 1169 . 7 1 1 A 97 97 HIS HA H 92 4.707 4.646 0.061 1
1 1170 . 7 1 1 A 97 97 HIS CB C 92 28.839 28.794 0.045 1
1 1173 . 7 1 1 A 97 97 HIS C C 92 174.186 174.625 -0.439 1
1 1174 . 7 1 1 A 98 98 SER N N 93 116.801 119.857 -3.056 1
1 1175 . 7 1 1 A 98 98 SER H H 93 8.455 8.382 0.073 1
1 1176 . 7 1 1 A 98 98 SER CA C 93 58.046 59.116 -1.070 1
1 1177 . 7 1 1 A 98 98 SER HA H 93 4.450 3.954 0.496 1
1 1178 . 7 1 1 A 98 98 SER CB C 93 63.434 62.025 1.409 1
1 1181 . 7 1 1 A 98 98 SER C C 93 174.553 173.523 1.030 1
1 1182 . 7 1 1 A 99 99 GLY N N 94 111.114 113.244 -2.130 1
1 1183 . 7 1 1 A 99 99 GLY H H 94 8.597 8.317 0.280 1
1 1184 . 7 1 1 A 99 99 GLY CA C 94 44.888 45.841 -0.953 1
1 1185 . 7 1 1 A 99 99 GLY HA2 H 94 3.998 4.105 -0.107 1
1 1186 . 7 1 1 A 99 99 GLY HA3 H 94 3.998 4.112 -0.114 1
1 1187 . 7 1 1 A 99 99 GLY C C 94 173.856 174.085 -0.229 1
1 1188 . 7 1 1 A 100 100 SER N N 95 115.398 115.566 -0.168 1
1 1189 . 7 1 1 A 100 100 SER H H 95 8.311 8.356 -0.045 1
1 1190 . 7 1 1 A 100 100 SER CA C 95 57.909 57.427 0.482 1
1 1191 . 7 1 1 A 100 100 SER HA H 95 4.422 4.622 -0.200 1
1 1192 . 7 1 1 A 100 100 SER CB C 95 63.377 64.704 -1.327 1
1 1195 . 7 1 1 A 100 100 SER C C 95 173.695 174.170 -0.475 1
1 1196 . 7 1 1 A 101 101 ASP N N 96 121.810 121.292 0.518 1
1 1197 . 7 1 1 A 101 101 ASP H H 96 8.380 7.833 0.547 1
1 1198 . 7 1 1 A 101 101 ASP CA C 96 53.797 53.953 -0.156 1
1 1199 . 7 1 1 A 101 101 ASP HA H 96 4.546 4.182 0.364 1
1 1200 . 7 1 1 A 101 101 ASP CB C 96 40.440 42.262 -1.822 1
1 1203 . 7 1 1 A 101 101 ASP C C 96 175.547 176.333 -0.786 1
1 1204 . 7 1 1 A 102 102 PHE N N 97 120.706 117.119 3.587 1
1 1205 . 7 1 1 A 102 102 PHE H H 97 8.249 7.811 0.438 1
1 1206 . 7 1 1 A 102 102 PHE CA C 97 57.444 57.588 -0.144 1
1 1207 . 7 1 1 A 102 102 PHE HA H 97 4.546 4.528 0.018 1
1 1208 . 7 1 1 A 102 102 PHE CB C 97 38.772 39.209 -0.437 1
1 1214 . 7 1 1 A 102 102 PHE C C 97 175.312 175.680 -0.368 1
1 1215 . 7 1 1 A 103 103 SER N N 98 116.992 114.398 2.594 1
1 1216 . 7 1 1 A 103 103 SER H H 98 8.167 7.566 0.601 1
1 1217 . 7 1 1 A 103 103 SER CA C 98 57.983 57.476 0.507 1
1 1218 . 7 1 1 A 103 103 SER HA H 98 4.314 4.635 -0.321 1
1 1219 . 7 1 1 A 103 103 SER CB C 98 63.384 62.806 0.578 1
1 1222 . 7 1 1 A 103 103 SER C C 98 173.286 173.156 0.130 1
1 1223 . 7 1 1 A 104 104 PHE N N 99 122.000 124.962 -2.962 1
1 1224 . 7 1 1 A 104 104 PHE H H 99 8.170 8.829 -0.659 1
1 1225 . 7 1 1 A 104 104 PHE CA C 99 57.354 56.432 0.922 1
1 1226 . 7 1 1 A 104 104 PHE HA H 99 4.545 4.672 -0.127 1
1 1227 . 7 1 1 A 104 104 PHE CB C 99 39.045 36.976 2.069 1
1 1233 . 7 1 1 A 104 104 PHE C C 99 174.621 174.820 -0.199 1
1 1234 . 7 1 1 A 105 105 ARG N N 100 124.796 123.802 0.994 1
1 1235 . 7 1 1 A 105 105 ARG H H 100 8.101 8.233 -0.132 1
1 1236 . 7 1 1 A 105 105 ARG CA C 100 52.919 54.927 -2.008 1
1 1237 . 7 1 1 A 105 105 ARG HA H 100 4.542 4.392 0.150 1
1 1238 . 7 1 1 A 105 105 ARG CB C 100 29.973 29.621 0.352 1
1 1247 . 7 1 1 A 105 105 ARG C C 100 172.924 174.484 -1.560 1
1 1249 . 7 1 1 A 106 106 PRO CA C 101 62.366 62.461 -0.095 1
1 1250 . 7 1 1 A 106 106 PRO HA H 101 4.349 4.691 -0.342 1
1 1251 . 7 1 1 A 106 106 PRO CB C 101 31.609 33.407 -1.798 1
1 1259 . 7 1 1 A 106 106 PRO C C 101 176.395 176.478 -0.083 1
1 1260 . 7 1 1 A 107 107 ILE N N 102 121.380 121.187 0.193 1
1 1261 . 7 1 1 A 107 107 ILE H H 102 8.350 8.488 -0.138 1
1 1262 . 7 1 1 A 107 107 ILE CA C 102 60.925 60.500 0.425 1
1 1263 . 7 1 1 A 107 107 ILE HA H 102 4.050 4.646 -0.596 1
1 1264 . 7 1 1 A 107 107 ILE CB C 102 38.165 38.977 -0.812 1
1 1277 . 7 1 1 A 107 107 ILE C C 102 175.990 176.470 -0.480 1
1 1278 . 7 1 1 A 108 108 GLU N N 103 124.836 123.047 1.789 1
1 1279 . 7 1 1 A 108 108 GLU H H 103 8.578 8.055 0.523 1
1 1280 . 7 1 1 A 108 108 GLU CA C 103 55.915 59.563 -3.648 1
1 1281 . 7 1 1 A 108 108 GLU HA H 103 4.279 3.955 0.324 1
1 1282 . 7 1 1 A 108 108 GLU CB C 103 29.902 29.270 0.632 1
1 1288 . 7 1 1 A 108 108 GLU C C 103 175.678 176.801 -1.123 1
1 1289 . 7 1 1 A 109 109 GLU N N 104 122.847 118.655 4.192 1
1 1290 . 7 1 1 A 109 109 GLU H H 104 8.459 8.190 0.269 1
1 1291 . 7 1 1 A 109 109 GLU CA C 104 55.845 57.460 -1.615 1
1 1292 . 7 1 1 A 109 109 GLU HA H 104 4.273 4.003 0.270 1
1 1293 . 7 1 1 A 109 109 GLU CB C 104 29.990 28.395 1.595 1
1 1299 . 7 1 1 A 109 109 GLU C C 104 174.661 175.419 -0.758 1
1 3 . 8 1 1 A 2 2 SER N N -4 115.528 115.467 0.061 1
1 4 . 8 1 1 A 2 2 SER H H -4 8.751 7.754 0.997 1
1 5 . 8 1 1 A 2 2 SER CA C -4 57.819 57.055 0.764 1
1 6 . 8 1 1 A 2 2 SER HA H -4 4.461 4.533 -0.072 1
1 7 . 8 1 1 A 2 2 SER CB C -4 63.389 63.639 -0.250 1
1 8 . 8 1 1 A 2 2 SER C C -4 173.924 174.052 -0.128 1
1 9 . 8 1 1 A 3 3 HIS N N -3 120.998 116.850 4.148 1
1 10 . 8 1 1 A 3 3 HIS H H -3 8.769 8.347 0.422 1
1 11 . 8 1 1 A 3 3 HIS CA C -3 55.238 57.110 -1.872 1
1 12 . 8 1 1 A 3 3 HIS HA H -3 4.703 4.095 0.608 1
1 13 . 8 1 1 A 3 3 HIS CB C -3 28.916 27.591 1.325 1
1 16 . 8 1 1 A 3 3 HIS C C -3 174.207 175.063 -0.856 1
1 17 . 8 1 1 A 4 4 MET N N -2 122.227 114.175 8.052 1
1 18 . 8 1 1 A 4 4 MET H H -2 8.518 8.380 0.138 1
1 19 . 8 1 1 A 4 4 MET CA C -2 55.003 56.437 -1.434 1
1 20 . 8 1 1 A 4 4 MET HA H -2 4.420 4.015 0.405 1
1 21 . 8 1 1 A 4 4 MET CB C -2 32.578 31.337 1.241 1
1 31 . 8 1 1 A 4 4 MET C C -2 175.475 174.998 0.477 1
1 49 . 8 1 1 A 7 7 ALA N N 2 124.543 122.513 2.030 1
1 50 . 8 1 1 A 7 7 ALA H H 2 8.453 7.899 0.554 1
1 51 . 8 1 1 A 7 7 ALA CA C 2 53.203 54.847 -1.644 1
1 52 . 8 1 1 A 7 7 ALA HA H 2 4.211 4.145 0.066 1
1 56 . 8 1 1 A 7 7 ALA CB C 2 18.387 18.297 0.090 1
1 57 . 8 1 1 A 7 7 ALA C C 2 178.091 179.130 -1.039 1
1 58 . 8 1 1 A 8 8 ASP N N 3 118.618 118.437 0.181 1
1 59 . 8 1 1 A 8 8 ASP H H 3 8.064 8.269 -0.205 1
1 60 . 8 1 1 A 8 8 ASP CA C 3 54.381 56.975 -2.594 1
1 61 . 8 1 1 A 8 8 ASP HA H 3 4.551 4.346 0.205 1
1 62 . 8 1 1 A 8 8 ASP CB C 3 40.446 40.922 -0.476 1
1 65 . 8 1 1 A 8 8 ASP C C 3 176.662 178.554 -1.892 1
1 66 . 8 1 1 A 9 9 LEU N N 4 123.427 120.785 2.642 1
1 67 . 8 1 1 A 9 9 LEU H H 4 8.202 7.733 0.469 1
1 68 . 8 1 1 A 9 9 LEU CA C 4 57.491 57.902 -0.411 1
1 69 . 8 1 1 A 9 9 LEU HA H 4 4.084 3.983 0.101 1
1 70 . 8 1 1 A 9 9 LEU CB C 4 41.745 41.720 0.025 1
1 80 . 8 1 1 A 9 9 LEU C C 4 178.873 178.716 0.157 1
1 81 . 8 1 1 A 10 10 VAL N N 5 119.385 119.191 0.194 1
1 82 . 8 1 1 A 10 10 VAL H H 5 8.186 8.307 -0.121 1
1 83 . 8 1 1 A 10 10 VAL CA C 5 66.686 66.679 0.007 1
1 84 . 8 1 1 A 10 10 VAL HA H 5 3.435 3.508 -0.073 1
1 85 . 8 1 1 A 10 10 VAL CB C 5 31.135 31.612 -0.477 1
1 95 . 8 1 1 A 10 10 VAL C C 5 177.408 177.828 -0.420 1
1 96 . 8 1 1 A 11 11 SER N N 6 115.027 116.059 -1.032 1
1 97 . 8 1 1 A 11 11 SER H H 6 8.252 8.143 0.109 1
1 98 . 8 1 1 A 11 11 SER CA C 6 61.229 62.253 -1.024 1
1 99 . 8 1 1 A 11 11 SER HA H 6 4.068 4.101 -0.033 1
1 100 . 8 1 1 A 11 11 SER CB C 6 62.054 62.669 -0.615 1
1 103 . 8 1 1 A 11 11 SER C C 6 176.036 176.603 -0.567 1
1 104 . 8 1 1 A 12 12 SER N N 7 115.144 117.049 -1.905 1
1 105 . 8 1 1 A 12 12 SER H H 7 8.053 8.071 -0.018 1
1 106 . 8 1 1 A 12 12 SER CA C 7 60.212 61.465 -1.253 1
1 107 . 8 1 1 A 12 12 SER HA H 7 4.309 4.066 0.243 1
1 108 . 8 1 1 A 12 12 SER CB C 7 62.720 62.959 -0.239 1
1 111 . 8 1 1 A 12 12 SER C C 7 176.540 176.564 -0.024 1
1 112 . 8 1 1 A 13 13 CYS N N 8 118.211 119.091 -0.880 1
1 113 . 8 1 1 A 13 13 CYS H H 8 7.919 8.394 -0.475 1
1 114 . 8 1 1 A 13 13 CYS CA C 8 63.729 63.962 -0.233 1
1 115 . 8 1 1 A 13 13 CYS HA H 8 4.046 4.045 0.001 1
1 116 . 8 1 1 A 13 13 CYS CB C 8 26.703 26.819 -0.116 1
1 119 . 8 1 1 A 13 13 CYS C C 8 175.645 177.102 -1.457 1
1 120 . 8 1 1 A 14 14 LYS N N 9 120.074 121.297 -1.223 1
1 121 . 8 1 1 A 14 14 LYS H H 9 8.632 8.291 0.341 1
1 122 . 8 1 1 A 14 14 LYS CA C 9 60.438 59.679 0.759 1
1 123 . 8 1 1 A 14 14 LYS HA H 9 3.668 3.943 -0.275 1
1 124 . 8 1 1 A 14 14 LYS CB C 9 31.655 32.148 -0.493 1
1 136 . 8 1 1 A 14 14 LYS C C 9 177.590 178.062 -0.472 1
1 137 . 8 1 1 A 15 15 ASP N N 10 117.611 119.499 -1.888 1
1 138 . 8 1 1 A 15 15 ASP H H 10 7.732 8.175 -0.443 1
1 139 . 8 1 1 A 15 15 ASP CA C 10 56.325 57.481 -1.156 1
1 140 . 8 1 1 A 15 15 ASP HA H 10 4.320 4.242 0.078 1
1 141 . 8 1 1 A 15 15 ASP CB C 10 40.092 41.637 -1.545 1
1 144 . 8 1 1 A 15 15 ASP C C 10 177.731 178.656 -0.925 1
1 145 . 8 1 1 A 16 16 LYS N N 11 117.878 119.382 -1.504 1
1 146 . 8 1 1 A 16 16 LYS H H 11 7.254 7.746 -0.492 1
1 147 . 8 1 1 A 16 16 LYS CA C 11 58.984 59.018 -0.034 1
1 148 . 8 1 1 A 16 16 LYS HA H 11 3.662 3.663 -0.001 1
1 149 . 8 1 1 A 16 16 LYS CB C 11 32.933 32.046 0.887 1
1 158 . 8 1 1 A 16 16 LYS C C 11 177.350 178.150 -0.800 1
1 159 . 8 1 1 A 17 17 LEU N N 12 115.652 121.675 -6.023 1
1 160 . 8 1 1 A 17 17 LEU H H 12 8.138 8.540 -0.402 1
1 161 . 8 1 1 A 17 17 LEU CA C 12 56.722 58.187 -1.465 1
1 162 . 8 1 1 A 17 17 LEU HA H 12 3.588 4.297 -0.709 1
1 163 . 8 1 1 A 17 17 LEU CB C 12 41.870 41.486 0.384 1
1 174 . 8 1 1 A 17 17 LEU C C 12 177.545 178.620 -1.075 1
1 175 . 8 1 1 A 18 18 ALA N N 13 116.045 120.828 -4.783 1
1 176 . 8 1 1 A 18 18 ALA H H 13 7.080 8.606 -1.526 1
1 177 . 8 1 1 A 18 18 ALA CA C 13 53.475 54.822 -1.347 1
1 178 . 8 1 1 A 18 18 ALA HA H 13 3.984 4.104 -0.120 1
1 182 . 8 1 1 A 18 18 ALA CB C 13 18.121 18.563 -0.442 1
1 183 . 8 1 1 A 18 18 ALA C C 13 178.298 179.704 -1.406 1
1 184 . 8 1 1 A 19 19 TYR N N 14 115.556 119.303 -3.747 1
1 185 . 8 1 1 A 19 19 TYR H H 14 7.675 7.601 0.074 1
1 186 . 8 1 1 A 19 19 TYR CA C 14 58.741 59.709 -0.968 1
1 187 . 8 1 1 A 19 19 TYR HA H 14 4.323 4.164 0.159 1
1 188 . 8 1 1 A 19 19 TYR CB C 14 38.610 39.106 -0.496 1
1 193 . 8 1 1 A 19 19 TYR C C 14 176.007 175.826 0.181 1
1 194 . 8 1 1 A 20 20 PHE N N 15 118.275 119.318 -1.043 1
1 195 . 8 1 1 A 20 20 PHE H H 15 7.406 7.720 -0.314 1
1 196 . 8 1 1 A 20 20 PHE CA C 15 56.542 57.388 -0.846 1
1 197 . 8 1 1 A 20 20 PHE HA H 15 4.652 4.762 -0.110 1
1 198 . 8 1 1 A 20 20 PHE CB C 15 38.561 40.268 -1.707 1
1 202 . 8 1 1 A 20 20 PHE C C 15 176.160 175.751 0.409 1
1 203 . 8 1 1 A 21 21 ARG N N 16 119.140 122.445 -3.305 1
1 204 . 8 1 1 A 21 21 ARG H H 16 8.714 8.639 0.075 1
1 205 . 8 1 1 A 21 21 ARG CA C 16 54.474 56.613 -2.139 1
1 206 . 8 1 1 A 21 21 ARG HA H 16 4.747 4.318 0.429 1
1 207 . 8 1 1 A 21 21 ARG CB C 16 30.097 31.187 -1.090 1
1 223 . 8 1 1 A 21 21 ARG C C 16 177.095 177.719 -0.624 1
1 224 . 8 1 1 A 22 22 ILE N N 17 120.734 122.105 -1.371 1
1 225 . 8 1 1 A 22 22 ILE H H 17 8.708 8.817 -0.109 1
1 226 . 8 1 1 A 22 22 ILE CA C 17 65.114 64.839 0.275 1
1 227 . 8 1 1 A 22 22 ILE HA H 17 3.740 3.722 0.018 1
1 228 . 8 1 1 A 22 22 ILE CB C 17 36.768 37.706 -0.938 1
1 241 . 8 1 1 A 22 22 ILE C C 17 176.639 178.151 -1.512 1
1 242 . 8 1 1 A 23 23 LYS N N 18 118.184 121.059 -2.875 1
1 243 . 8 1 1 A 23 23 LYS H H 18 8.267 8.221 0.046 1
1 244 . 8 1 1 A 23 23 LYS CA C 18 59.978 60.074 -0.096 1
1 245 . 8 1 1 A 23 23 LYS HA H 18 3.909 3.889 0.020 1
1 246 . 8 1 1 A 23 23 LYS CB C 18 32.191 32.255 -0.064 1
1 258 . 8 1 1 A 23 23 LYS C C 18 178.185 178.922 -0.737 1
1 259 . 8 1 1 A 24 24 GLU N N 19 117.651 119.461 -1.810 1
1 260 . 8 1 1 A 24 24 GLU H H 19 7.198 7.943 -0.745 1
1 261 . 8 1 1 A 24 24 GLU CA C 19 60.601 59.112 1.489 1
1 262 . 8 1 1 A 24 24 GLU HA H 19 4.056 3.995 0.061 1
1 263 . 8 1 1 A 24 24 GLU CB C 19 28.859 29.518 -0.659 1
1 269 . 8 1 1 A 24 24 GLU C C 19 178.542 178.926 -0.384 1
1 270 . 8 1 1 A 25 25 LEU N N 20 119.236 120.229 -0.993 1
1 271 . 8 1 1 A 25 25 LEU H H 20 7.980 8.261 -0.281 1
1 272 . 8 1 1 A 25 25 LEU CA C 20 57.812 58.047 -0.235 1
1 273 . 8 1 1 A 25 25 LEU HA H 20 3.947 3.976 -0.029 1
1 274 . 8 1 1 A 25 25 LEU CB C 20 42.172 41.772 0.400 1
1 281 . 8 1 1 A 25 25 LEU C C 20 178.081 179.483 -1.402 1
1 282 . 8 1 1 A 26 26 LYS N N 21 117.457 119.281 -1.824 1
1 283 . 8 1 1 A 26 26 LYS H H 21 8.770 8.534 0.236 1
1 284 . 8 1 1 A 26 26 LYS CA C 21 60.741 59.931 0.810 1
1 285 . 8 1 1 A 26 26 LYS HA H 21 3.806 3.934 -0.128 1
1 286 . 8 1 1 A 26 26 LYS CB C 21 31.876 32.258 -0.382 1
1 287 . 8 1 1 A 26 26 LYS C C 21 177.659 178.967 -1.308 1
1 288 . 8 1 1 A 27 27 ASP N N 22 119.023 120.127 -1.104 1
1 289 . 8 1 1 A 27 27 ASP H H 22 7.671 8.111 -0.440 1
1 290 . 8 1 1 A 27 27 ASP CA C 22 56.971 57.267 -0.296 1
1 291 . 8 1 1 A 27 27 ASP HA H 22 4.409 4.450 -0.041 1
1 292 . 8 1 1 A 27 27 ASP CB C 22 40.196 40.852 -0.656 1
1 295 . 8 1 1 A 27 27 ASP C C 22 180.796 178.949 1.847 1
1 296 . 8 1 1 A 28 28 ILE N N 23 119.318 119.998 -0.680 1
1 297 . 8 1 1 A 28 28 ILE H H 23 8.039 7.859 0.180 1
1 298 . 8 1 1 A 28 28 ILE CA C 23 65.328 65.539 -0.211 1
1 299 . 8 1 1 A 28 28 ILE HA H 23 3.601 3.630 -0.029 1
1 300 . 8 1 1 A 28 28 ILE CB C 23 37.309 38.233 -0.924 1
1 313 . 8 1 1 A 28 28 ILE C C 23 177.251 178.362 -1.111 1
1 314 . 8 1 1 A 29 29 LEU N N 24 120.356 119.112 1.244 1
1 315 . 8 1 1 A 29 29 LEU H H 24 8.220 8.130 0.090 1
1 316 . 8 1 1 A 29 29 LEU CA C 24 58.535 58.104 0.431 1
1 317 . 8 1 1 A 29 29 LEU HA H 24 3.824 3.965 -0.141 1
1 318 . 8 1 1 A 29 29 LEU CB C 24 39.478 41.198 -1.720 1
1 326 . 8 1 1 A 29 29 LEU C C 24 178.599 178.670 -0.071 1
1 327 . 8 1 1 A 30 30 ASN N N 25 117.446 117.491 -0.045 1
1 328 . 8 1 1 A 30 30 ASN H H 25 8.687 8.703 -0.016 1
1 329 . 8 1 1 A 30 30 ASN CA C 25 56.241 57.060 -0.819 1
1 330 . 8 1 1 A 30 30 ASN HA H 25 4.520 4.332 0.188 1
1 331 . 8 1 1 A 30 30 ASN CB C 25 38.899 38.831 0.068 1
1 338 . 8 1 1 A 30 30 ASN C C 25 178.958 177.800 1.158 1
1 339 . 8 1 1 A 31 31 GLN N N 26 119.946 117.841 2.105 1
1 340 . 8 1 1 A 31 31 GLN H H 26 8.184 7.876 0.308 1
1 341 . 8 1 1 A 31 31 GLN CA C 26 58.779 58.799 -0.020 1
1 342 . 8 1 1 A 31 31 GLN HA H 26 4.055 4.022 0.033 1
1 343 . 8 1 1 A 31 31 GLN CB C 26 29.109 28.306 0.803 1
1 353 . 8 1 1 A 31 31 GLN C C 26 177.586 178.744 -1.158 1
1 354 . 8 1 1 A 32 32 LEU N N 27 116.979 120.592 -3.613 1
1 355 . 8 1 1 A 32 32 LEU H H 27 7.893 7.818 0.075 1
1 356 . 8 1 1 A 32 32 LEU CA C 27 54.393 56.584 -2.191 1
1 357 . 8 1 1 A 32 32 LEU HA H 27 4.240 4.161 0.079 1
1 358 . 8 1 1 A 32 32 LEU CB C 27 42.566 43.048 -0.482 1
1 369 . 8 1 1 A 32 32 LEU C C 27 175.693 176.970 -1.277 1
1 370 . 8 1 1 A 33 33 GLY N N 28 108.299 107.666 0.633 1
1 371 . 8 1 1 A 33 33 GLY H H 28 7.834 8.483 -0.649 1
1 372 . 8 1 1 A 33 33 GLY CA C 28 45.707 46.462 -0.755 1
1 373 . 8 1 1 A 33 33 GLY HA2 H 28 3.952 3.986 -0.034 1
1 374 . 8 1 1 A 33 33 GLY HA3 H 28 3.952 3.986 -0.034 1
1 375 . 8 1 1 A 33 33 GLY C C 28 174.317 174.571 -0.254 1
1 376 . 8 1 1 A 34 34 LEU N N 29 120.833 121.377 -0.544 1
1 377 . 8 1 1 A 34 34 LEU H H 29 7.986 7.640 0.346 1
1 378 . 8 1 1 A 34 34 LEU CA C 29 51.600 52.284 -0.684 1
1 379 . 8 1 1 A 34 34 LEU HA H 29 4.760 4.774 -0.014 1
1 380 . 8 1 1 A 34 34 LEU CB C 29 43.531 43.019 0.512 1
1 392 . 8 1 1 A 35 35 PRO CA C 30 62.741 62.427 0.314 1
1 393 . 8 1 1 A 35 35 PRO HA H 30 4.365 4.639 -0.274 1
1 394 . 8 1 1 A 35 35 PRO CB C 30 31.856 29.358 2.498 1
1 402 . 8 1 1 A 35 35 PRO C C 30 177.334 175.642 1.692 1
1 403 . 8 1 1 A 36 36 LYS N N 31 117.589 123.084 -5.495 1
1 404 . 8 1 1 A 36 36 LYS H H 31 8.380 8.380 0.000 1
1 405 . 8 1 1 A 36 36 LYS CA C 31 55.569 55.812 -0.243 1
1 406 . 8 1 1 A 36 36 LYS HA H 31 4.288 4.505 -0.217 1
1 407 . 8 1 1 A 36 36 LYS CB C 31 33.225 32.612 0.613 1
1 417 . 8 1 1 A 36 36 LYS C C 31 174.406 174.998 -0.592 1
1 418 . 8 1 1 A 37 37 GLN N N 32 118.260 121.048 -2.788 1
1 419 . 8 1 1 A 37 37 GLN H H 32 7.698 8.179 -0.481 1
1 420 . 8 1 1 A 37 37 GLN CA C 32 55.716 54.001 1.715 1
1 421 . 8 1 1 A 37 37 GLN HA H 32 4.392 4.888 -0.496 1
1 422 . 8 1 1 A 37 37 GLN CB C 32 28.251 31.711 -3.460 1
1 432 . 8 1 1 A 37 37 GLN C C 32 175.122 175.817 -0.695 1
1 433 . 8 1 1 A 38 38 GLY N N 33 109.855 108.868 0.987 1
1 434 . 8 1 1 A 38 38 GLY H H 33 8.449 8.372 0.077 1
1 435 . 8 1 1 A 38 38 GLY CA C 33 43.315 44.525 -1.210 1
1 436 . 8 1 1 A 38 38 GLY HA2 H 33 4.600 4.095 0.505 1
1 437 . 8 1 1 A 38 38 GLY HA3 H 33 3.803 4.095 -0.292 1
1 438 . 8 1 1 A 38 38 GLY C C 33 173.537 173.223 0.314 1
1 439 . 8 1 1 A 39 39 LYS N N 34 117.627 119.900 -2.273 1
1 440 . 8 1 1 A 39 39 LYS H H 34 8.649 8.275 0.374 1
1 441 . 8 1 1 A 39 39 LYS CA C 34 54.916 54.208 0.708 1
1 442 . 8 1 1 A 39 39 LYS HA H 34 4.395 4.573 -0.178 1
1 443 . 8 1 1 A 39 39 LYS CB C 34 32.893 33.550 -0.657 1
1 455 . 8 1 1 A 39 39 LYS C C 34 176.803 178.213 -1.410 1
1 456 . 8 1 1 A 40 40 LYS N N 35 121.705 119.140 2.565 1
1 457 . 8 1 1 A 40 40 LYS H H 35 8.920 8.630 0.290 1
1 458 . 8 1 1 A 40 40 LYS CA C 35 61.574 59.279 2.295 1
1 459 . 8 1 1 A 40 40 LYS HA H 35 3.599 3.951 -0.352 1
1 460 . 8 1 1 A 40 40 LYS CB C 35 31.924 32.282 -0.358 1
1 472 . 8 1 1 A 40 40 LYS C C 35 177.366 178.367 -1.001 1
1 473 . 8 1 1 A 41 41 GLN N N 36 114.634 118.578 -3.944 1
1 474 . 8 1 1 A 41 41 GLN H H 36 9.017 7.905 1.112 1
1 475 . 8 1 1 A 41 41 GLN CA C 36 57.636 58.766 -1.130 1
1 476 . 8 1 1 A 41 41 GLN HA H 36 3.731 4.049 -0.318 1
1 477 . 8 1 1 A 41 41 GLN CB C 36 27.865 28.292 -0.427 1
1 487 . 8 1 1 A 41 41 GLN C C 36 176.872 178.635 -1.763 1
1 488 . 8 1 1 A 42 42 ASP N N 37 115.980 120.250 -4.270 1
1 489 . 8 1 1 A 42 42 ASP H H 37 7.047 8.132 -1.085 1
1 490 . 8 1 1 A 42 42 ASP CA C 37 56.593 57.402 -0.809 1
1 491 . 8 1 1 A 42 42 ASP HA H 37 4.297 4.392 -0.095 1
1 492 . 8 1 1 A 42 42 ASP CB C 37 39.839 41.039 -1.200 1
1 495 . 8 1 1 A 42 42 ASP C C 37 178.454 178.912 -0.458 1
1 496 . 8 1 1 A 43 43 LEU N N 38 119.074 120.257 -1.183 1
1 497 . 8 1 1 A 43 43 LEU H H 38 7.725 8.089 -0.364 1
1 498 . 8 1 1 A 43 43 LEU CA C 38 57.713 58.032 -0.319 1
1 499 . 8 1 1 A 43 43 LEU HA H 38 3.787 4.006 -0.219 1
1 500 . 8 1 1 A 43 43 LEU CB C 38 40.214 42.302 -2.088 1
1 513 . 8 1 1 A 43 43 LEU C C 38 177.872 178.916 -1.044 1
1 514 . 8 1 1 A 44 44 ILE N N 39 118.343 118.375 -0.032 1
1 515 . 8 1 1 A 44 44 ILE H H 39 7.867 8.122 -0.255 1
1 516 . 8 1 1 A 44 44 ILE CA C 39 66.090 65.524 0.566 1
1 517 . 8 1 1 A 44 44 ILE HA H 39 3.321 3.512 -0.191 1
1 518 . 8 1 1 A 44 44 ILE CB C 39 38.013 37.736 0.277 1
1 528 . 8 1 1 A 44 44 ILE C C 39 177.711 177.780 -0.069 1
1 529 . 8 1 1 A 45 45 ASP N N 40 118.533 120.432 -1.899 1
1 530 . 8 1 1 A 45 45 ASP H H 40 8.503 8.340 0.163 1
1 531 . 8 1 1 A 45 45 ASP CA C 40 57.009 57.222 -0.213 1
1 532 . 8 1 1 A 45 45 ASP HA H 40 4.272 4.453 -0.181 1
1 533 . 8 1 1 A 45 45 ASP CB C 40 39.419 41.831 -2.412 1
1 536 . 8 1 1 A 45 45 ASP C C 40 178.392 178.895 -0.503 1
1 537 . 8 1 1 A 46 46 ARG N N 41 120.911 119.847 1.064 1
1 538 . 8 1 1 A 46 46 ARG H H 41 7.717 7.828 -0.111 1
1 539 . 8 1 1 A 46 46 ARG CA C 41 59.048 59.787 -0.739 1
1 540 . 8 1 1 A 46 46 ARG HA H 41 3.991 4.039 -0.048 1
1 541 . 8 1 1 A 46 46 ARG CB C 41 29.817 30.830 -1.013 1
1 550 . 8 1 1 A 46 46 ARG C C 41 177.537 178.597 -1.060 1
1 551 . 8 1 1 A 47 47 VAL N N 42 117.438 119.756 -2.318 1
1 552 . 8 1 1 A 47 47 VAL H H 42 7.445 7.960 -0.515 1
1 553 . 8 1 1 A 47 47 VAL CA C 42 65.881 66.440 -0.559 1
1 554 . 8 1 1 A 47 47 VAL HA H 42 3.442 3.685 -0.243 1
1 555 . 8 1 1 A 47 47 VAL CB C 42 30.931 31.682 -0.751 1
1 565 . 8 1 1 A 47 47 VAL C C 42 177.671 178.078 -0.407 1
1 566 . 8 1 1 A 48 48 LEU N N 43 117.085 117.767 -0.682 1
1 567 . 8 1 1 A 48 48 LEU H H 43 8.466 8.137 0.329 1
1 568 . 8 1 1 A 48 48 LEU CA C 43 57.248 57.899 -0.651 1
1 569 . 8 1 1 A 48 48 LEU HA H 43 3.847 3.935 -0.088 1
1 570 . 8 1 1 A 48 48 LEU CB C 43 40.720 41.228 -0.508 1
1 583 . 8 1 1 A 48 48 LEU C C 43 179.581 179.442 0.139 1
1 584 . 8 1 1 A 49 49 ALA N N 44 120.479 121.778 -1.299 1
1 585 . 8 1 1 A 49 49 ALA H H 44 7.953 8.142 -0.189 1
1 586 . 8 1 1 A 49 49 ALA CA C 44 53.997 54.405 -0.408 1
1 587 . 8 1 1 A 49 49 ALA HA H 44 4.123 4.141 -0.018 1
1 591 . 8 1 1 A 49 49 ALA CB C 44 17.631 18.487 -0.856 1
1 592 . 8 1 1 A 49 49 ALA C C 44 178.926 179.509 -0.583 1
1 593 . 8 1 1 A 50 50 LEU N N 45 115.306 120.546 -5.240 1
1 594 . 8 1 1 A 50 50 LEU H H 45 7.428 7.851 -0.423 1
1 595 . 8 1 1 A 50 50 LEU CA C 45 55.652 57.641 -1.989 1
1 596 . 8 1 1 A 50 50 LEU HA H 45 4.219 4.101 0.118 1
1 597 . 8 1 1 A 50 50 LEU CB C 45 41.846 41.959 -0.113 1
1 610 . 8 1 1 A 50 50 LEU C C 45 177.840 178.627 -0.787 1
1 611 . 8 1 1 A 51 51 LEU N N 46 115.880 118.744 -2.864 1
1 612 . 8 1 1 A 51 51 LEU H H 46 7.642 7.877 -0.235 1
1 613 . 8 1 1 A 51 51 LEU CA C 46 54.693 55.741 -1.048 1
1 614 . 8 1 1 A 51 51 LEU HA H 46 4.265 4.294 -0.029 1
1 615 . 8 1 1 A 51 51 LEU CB C 46 42.040 42.064 -0.024 1
1 625 . 8 1 1 A 51 51 LEU C C 46 176.015 177.441 -1.426 1
1 626 . 8 1 1 A 52 52 THR N N 47 109.201 112.545 -3.344 1
1 627 . 8 1 1 A 52 52 THR H H 47 7.516 7.494 0.022 1
1 628 . 8 1 1 A 52 52 THR CA C 47 60.834 64.316 -3.482 1
1 629 . 8 1 1 A 52 52 THR HA H 47 4.348 4.329 0.019 1
1 630 . 8 1 1 A 52 52 THR CB C 47 69.704 69.968 -0.264 1
1 636 . 8 1 1 A 52 52 THR C C 47 173.733 175.307 -1.574 1
1 637 . 8 1 1 A 53 53 ASP N N 48 122.188 117.727 4.461 1
1 638 . 8 1 1 A 53 53 ASP H H 48 8.280 8.082 0.198 1
1 639 . 8 1 1 A 53 53 ASP CA C 48 54.185 55.096 -0.911 1
1 640 . 8 1 1 A 53 53 ASP HA H 48 4.699 4.589 0.110 1
1 641 . 8 1 1 A 53 53 ASP CB C 48 40.749 41.351 -0.602 1
1 645 . 8 1 1 A 53 53 ASP C C 48 176.000 176.479 -0.479 1
1 646 . 8 1 1 A 54 54 GLU N N 49 121.966 118.977 2.989 1
1 647 . 8 1 1 A 54 54 GLU H H 49 8.588 7.855 0.733 1
1 648 . 8 1 1 A 54 54 GLU CA C 49 56.604 55.602 1.002 1
1 649 . 8 1 1 A 54 54 GLU HA H 49 4.229 4.640 -0.411 1
1 650 . 8 1 1 A 54 54 GLU CB C 49 29.642 30.863 -1.221 1
1 656 . 8 1 1 A 54 54 GLU C C 49 176.589 176.749 -0.160 1
1 657 . 8 1 1 A 55 55 GLN N N 50 120.727 119.472 1.255 1
1 658 . 8 1 1 A 55 55 GLN H H 50 8.642 7.978 0.664 1
1 659 . 8 1 1 A 55 55 GLN CA C 50 56.165 57.207 -1.042 1
1 660 . 8 1 1 A 55 55 GLN HA H 50 4.226 4.222 0.004 1
1 661 . 8 1 1 A 55 55 GLN CB C 50 28.555 29.359 -0.804 1
1 671 . 8 1 1 A 55 55 GLN C C 50 176.554 176.295 0.259 1
1 672 . 8 1 1 A 56 56 GLY N N 51 109.357 108.368 0.989 1
1 673 . 8 1 1 A 56 56 GLY H H 51 8.519 7.939 0.580 1
1 674 . 8 1 1 A 56 56 GLY CA C 51 45.276 45.343 -0.067 1
1 675 . 8 1 1 A 56 56 GLY HA2 H 51 3.951 4.068 -0.117 1
1 676 . 8 1 1 A 56 56 GLY HA3 H 51 3.815 4.106 -0.291 1
1 677 . 8 1 1 A 56 56 GLY C C 51 174.146 174.935 -0.789 1
1 678 . 8 1 1 A 57 57 GLN N N 52 119.207 115.775 3.432 1
1 679 . 8 1 1 A 57 57 GLN H H 52 8.263 8.569 -0.306 1
1 680 . 8 1 1 A 57 57 GLN CA C 52 55.650 57.470 -1.820 1
1 681 . 8 1 1 A 57 57 GLN HA H 52 4.217 4.080 0.137 1
1 682 . 8 1 1 A 57 57 GLN CB C 52 28.723 27.000 1.723 1
1 692 . 8 1 1 A 57 57 GLN C C 52 175.872 175.264 0.608 1
1 693 . 8 1 1 A 58 58 ARG N N 53 120.525 111.051 9.474 1
1 694 . 8 1 1 A 58 58 ARG H H 53 8.279 8.528 -0.249 1
1 695 . 8 1 1 A 58 58 ARG CA C 53 55.854 57.355 -1.501 1
1 696 . 8 1 1 A 58 58 ARG HA H 53 4.204 4.162 0.042 1
1 697 . 8 1 1 A 58 58 ARG CB C 53 29.944 27.280 2.664 1
1 708 . 8 1 1 A 58 58 ARG C C 53 175.819 175.880 -0.061 1
1 709 . 8 1 1 A 59 59 HIS N N 54 118.905 117.368 1.537 1
1 710 . 8 1 1 A 59 59 HIS H H 54 8.397 8.538 -0.141 1
1 711 . 8 1 1 A 59 59 HIS CA C 54 55.130 59.425 -4.295 1
1 712 . 8 1 1 A 59 59 HIS HA H 54 4.554 4.554 0.000 1
1 713 . 8 1 1 A 59 59 HIS CB C 54 28.953 31.211 -2.258 1
1 716 . 8 1 1 A 59 59 HIS C C 54 174.248 175.254 -1.006 1
1 717 . 8 1 1 A 60 60 HIS N N 55 119.527 111.640 7.887 1
1 718 . 8 1 1 A 60 60 HIS H H 55 8.493 8.101 0.392 1
1 719 . 8 1 1 A 60 60 HIS CA C 55 55.589 53.988 1.601 1
1 720 . 8 1 1 A 60 60 HIS HA H 55 4.553 4.338 0.215 1
1 721 . 8 1 1 A 60 60 HIS CB C 55 28.913 31.367 -2.454 1
1 724 . 8 1 1 A 60 60 HIS C C 55 174.759 173.515 1.244 1
1 725 . 8 1 1 A 61 61 GLY N N 56 110.215 107.629 2.586 1
1 726 . 8 1 1 A 61 61 GLY H H 56 8.604 7.377 1.227 1
1 727 . 8 1 1 A 61 61 GLY CA C 56 44.977 45.251 -0.274 1
1 728 . 8 1 1 A 61 61 GLY HA2 H 56 3.958 3.455 0.503 1
1 729 . 8 1 1 A 61 61 GLY HA3 H 56 3.833 3.525 0.308 1
1 730 . 8 1 1 A 61 61 GLY C C 56 173.752 174.393 -0.641 1
1 731 . 8 1 1 A 62 62 TRP N N 57 120.700 118.023 2.677 1
1 732 . 8 1 1 A 62 62 TRP H H 57 8.175 7.258 0.917 1
1 733 . 8 1 1 A 62 62 TRP CA C 57 56.935 58.209 -1.274 1
1 734 . 8 1 1 A 62 62 TRP HA H 57 4.658 4.729 -0.071 1
1 735 . 8 1 1 A 62 62 TRP CB C 57 29.018 30.951 -1.933 1
1 750 . 8 1 1 A 62 62 TRP C C 57 176.442 177.472 -1.030 1
1 751 . 8 1 1 A 63 63 GLY N N 58 110.195 108.646 1.549 1
1 752 . 8 1 1 A 63 63 GLY H H 58 8.452 8.313 0.139 1
1 753 . 8 1 1 A 63 63 GLY CA C 58 45.052 45.480 -0.428 1
1 754 . 8 1 1 A 63 63 GLY HA2 H 58 3.925 3.995 -0.070 1
1 755 . 8 1 1 A 63 63 GLY HA3 H 58 3.833 4.038 -0.205 1
1 756 . 8 1 1 A 63 63 GLY C C 58 173.738 174.864 -1.126 1
1 757 . 8 1 1 A 64 64 ARG N N 59 120.374 119.176 1.198 1
1 758 . 8 1 1 A 64 64 ARG H H 59 8.136 8.781 -0.645 1
1 759 . 8 1 1 A 64 64 ARG CA C 59 55.779 57.436 -1.657 1
1 760 . 8 1 1 A 64 64 ARG HA H 59 4.287 4.169 0.118 1
1 761 . 8 1 1 A 64 64 ARG CB C 59 30.244 28.234 2.010 1
1 772 . 8 1 1 A 64 64 ARG C C 59 176.269 176.342 -0.073 1
1 773 . 8 1 1 A 65 65 LYS N N 60 121.590 116.936 4.654 1
1 774 . 8 1 1 A 65 65 LYS H H 60 8.483 7.983 0.500 1
1 775 . 8 1 1 A 65 65 LYS CA C 60 56.435 56.810 -0.375 1
1 776 . 8 1 1 A 65 65 LYS HA H 60 4.226 4.688 -0.462 1
1 777 . 8 1 1 A 65 65 LYS CB C 60 32.259 33.956 -1.697 1
1 783 . 8 1 1 A 65 65 LYS C C 60 176.075 177.641 -1.566 1
1 784 . 8 1 1 A 66 66 ASN N N 61 118.654 119.084 -0.430 1
1 785 . 8 1 1 A 66 66 ASN H H 61 8.413 8.309 0.104 1
1 786 . 8 1 1 A 66 66 ASN CA C 61 53.042 55.732 -2.690 1
1 787 . 8 1 1 A 66 66 ASN HA H 61 4.651 4.507 0.144 1
1 788 . 8 1 1 A 66 66 ASN CB C 61 38.348 38.275 0.073 1
1 795 . 8 1 1 A 66 66 ASN C C 61 174.530 175.678 -1.148 1
1 796 . 8 1 1 A 67 67 SER N N 62 115.494 111.478 4.016 1
1 797 . 8 1 1 A 67 67 SER H H 62 8.289 8.088 0.201 1
1 798 . 8 1 1 A 67 67 SER CA C 62 58.090 59.442 -1.352 1
1 799 . 8 1 1 A 67 67 SER HA H 62 4.294 4.260 0.034 1
1 800 . 8 1 1 A 67 67 SER CB C 62 63.205 61.378 1.827 1
1 803 . 8 1 1 A 67 67 SER C C 62 173.894 173.984 -0.090 1
1 804 . 8 1 1 A 68 68 LEU N N 63 123.552 116.334 7.218 1
1 805 . 8 1 1 A 68 68 LEU H H 63 8.063 7.891 0.172 1
1 806 . 8 1 1 A 68 68 LEU CA C 63 54.124 54.023 0.101 1
1 807 . 8 1 1 A 68 68 LEU HA H 63 4.495 4.660 -0.165 1
1 808 . 8 1 1 A 68 68 LEU CB C 63 42.447 42.524 -0.077 1
1 821 . 8 1 1 A 68 68 LEU C C 63 176.587 176.445 0.142 1
1 822 . 8 1 1 A 69 69 THR N N 64 112.637 111.299 1.338 1
1 823 . 8 1 1 A 69 69 THR H H 64 7.797 7.522 0.275 1
1 824 . 8 1 1 A 69 69 THR CA C 64 60.021 59.514 0.507 1
1 825 . 8 1 1 A 69 69 THR HA H 64 4.490 4.799 -0.309 1
1 826 . 8 1 1 A 69 69 THR CB C 64 70.896 72.065 -1.169 1
1 832 . 8 1 1 A 69 69 THR C C 64 174.998 176.173 -1.175 1
1 833 . 8 1 1 A 70 70 LYS N N 65 120.128 119.372 0.756 1
1 834 . 8 1 1 A 70 70 LYS H H 65 9.059 9.081 -0.022 1
1 835 . 8 1 1 A 70 70 LYS CA C 65 59.374 59.015 0.359 1
1 836 . 8 1 1 A 70 70 LYS HA H 65 3.941 4.046 -0.105 1
1 837 . 8 1 1 A 70 70 LYS CB C 65 31.830 31.984 -0.154 1
1 843 . 8 1 1 A 70 70 LYS C C 65 177.539 178.563 -1.024 1
1 844 . 8 1 1 A 71 71 GLU N N 66 117.667 119.846 -2.179 1
1 845 . 8 1 1 A 71 71 GLU H H 66 8.699 8.432 0.267 1
1 846 . 8 1 1 A 71 71 GLU CA C 66 60.307 59.161 1.146 1
1 847 . 8 1 1 A 71 71 GLU HA H 66 3.812 4.085 -0.273 1
1 848 . 8 1 1 A 71 71 GLU CB C 66 27.903 29.727 -1.824 1
1 855 . 8 1 1 A 71 71 GLU C C 66 178.499 178.983 -0.484 1
1 856 . 8 1 1 A 72 72 ALA N N 67 123.914 122.349 1.565 1
1 857 . 8 1 1 A 72 72 ALA H H 67 7.991 7.585 0.406 1
1 858 . 8 1 1 A 72 72 ALA CA C 67 54.601 54.914 -0.313 1
1 859 . 8 1 1 A 72 72 ALA HA H 67 4.116 4.082 0.034 1
1 863 . 8 1 1 A 72 72 ALA CB C 67 18.288 18.567 -0.279 1
1 864 . 8 1 1 A 72 72 ALA C C 67 178.721 179.517 -0.796 1
1 865 . 8 1 1 A 73 73 VAL N N 68 119.435 117.907 1.528 1
1 866 . 8 1 1 A 73 73 VAL H H 68 8.045 8.068 -0.023 1
1 867 . 8 1 1 A 73 73 VAL CA C 68 66.211 66.609 -0.398 1
1 868 . 8 1 1 A 73 73 VAL HA H 68 3.470 3.563 -0.093 1
1 869 . 8 1 1 A 73 73 VAL CB C 68 31.103 31.618 -0.515 1
1 879 . 8 1 1 A 73 73 VAL C C 68 177.001 178.520 -1.519 1
1 880 . 8 1 1 A 74 74 ALA N N 69 120.667 121.533 -0.866 1
1 881 . 8 1 1 A 74 74 ALA H H 69 8.407 8.087 0.320 1
1 882 . 8 1 1 A 74 74 ALA CA C 69 54.687 55.110 -0.423 1
1 883 . 8 1 1 A 74 74 ALA HA H 69 3.981 4.103 -0.122 1
1 887 . 8 1 1 A 74 74 ALA CB C 69 18.048 18.017 0.031 1
1 888 . 8 1 1 A 74 74 ALA C C 69 178.865 179.667 -0.802 1
1 889 . 8 1 1 A 75 75 LYS N N 70 118.628 117.909 0.719 1
1 890 . 8 1 1 A 75 75 LYS H H 70 7.930 7.942 -0.012 1
1 891 . 8 1 1 A 75 75 LYS CA C 70 58.914 59.964 -1.050 1
1 892 . 8 1 1 A 75 75 LYS HA H 70 4.105 4.004 0.101 1
1 893 . 8 1 1 A 75 75 LYS CB C 70 31.806 32.122 -0.316 1
1 903 . 8 1 1 A 75 75 LYS C C 70 177.409 179.130 -1.721 1
1 904 . 8 1 1 A 76 76 ILE N N 71 120.231 119.869 0.362 1
1 905 . 8 1 1 A 76 76 ILE H H 71 7.478 7.822 -0.344 1
1 906 . 8 1 1 A 76 76 ILE CA C 71 64.835 64.790 0.045 1
1 907 . 8 1 1 A 76 76 ILE HA H 71 3.973 3.709 0.264 1
1 908 . 8 1 1 A 76 76 ILE CB C 71 37.788 37.186 0.602 1
1 921 . 8 1 1 A 76 76 ILE C C 71 179.734 178.289 1.445 1
1 922 . 8 1 1 A 77 77 VAL N N 72 122.505 119.871 2.634 1
1 923 . 8 1 1 A 77 77 VAL H H 72 8.325 7.901 0.424 1
1 924 . 8 1 1 A 77 77 VAL CA C 72 67.425 66.668 0.757 1
1 925 . 8 1 1 A 77 77 VAL HA H 72 3.581 3.556 0.025 1
1 926 . 8 1 1 A 77 77 VAL CB C 72 30.885 31.469 -0.584 1
1 936 . 8 1 1 A 77 77 VAL C C 72 176.939 178.099 -1.160 1
1 937 . 8 1 1 A 78 78 ASP N N 73 120.524 120.420 0.104 1
1 938 . 8 1 1 A 78 78 ASP H H 73 8.798 8.214 0.584 1
1 939 . 8 1 1 A 78 78 ASP CA C 73 58.163 57.577 0.586 1
1 940 . 8 1 1 A 78 78 ASP HA H 73 4.392 4.435 -0.043 1
1 941 . 8 1 1 A 78 78 ASP CB C 73 41.459 41.309 0.150 1
1 945 . 8 1 1 A 78 78 ASP C C 73 178.122 178.487 -0.365 1
1 946 . 8 1 1 A 79 79 ASP N N 74 119.762 119.742 0.020 1
1 947 . 8 1 1 A 79 79 ASP H H 74 9.318 8.107 1.211 1
1 948 . 8 1 1 A 79 79 ASP CA C 74 57.122 57.209 -0.087 1
1 949 . 8 1 1 A 79 79 ASP HA H 74 4.405 4.346 0.059 1
1 950 . 8 1 1 A 79 79 ASP CB C 74 39.850 40.595 -0.745 1
1 954 . 8 1 1 A 79 79 ASP C C 74 178.921 178.689 0.232 1
1 955 . 8 1 1 A 80 80 THR N N 75 117.347 116.609 0.738 1
1 956 . 8 1 1 A 80 80 THR H H 75 8.084 8.387 -0.303 1
1 957 . 8 1 1 A 80 80 THR CA C 75 67.055 66.513 0.542 1
1 958 . 8 1 1 A 80 80 THR HA H 75 3.846 3.852 -0.006 1
1 959 . 8 1 1 A 80 80 THR CB C 75 67.692 67.860 -0.168 1
1 965 . 8 1 1 A 80 80 THR C C 75 175.367 175.753 -0.386 1
1 966 . 8 1 1 A 81 81 TYR N N 76 123.735 121.327 2.408 1
1 967 . 8 1 1 A 81 81 TYR H H 76 8.830 8.167 0.663 1
1 968 . 8 1 1 A 81 81 TYR CA C 76 61.712 61.949 -0.237 1
1 969 . 8 1 1 A 81 81 TYR HA H 76 4.269 4.393 -0.124 1
1 970 . 8 1 1 A 81 81 TYR CB C 76 38.639 38.889 -0.250 1
1 974 . 8 1 1 A 81 81 TYR C C 76 176.700 177.326 -0.626 1
1 975 . 8 1 1 A 82 82 ARG N N 77 118.508 120.150 -1.642 1
1 976 . 8 1 1 A 82 82 ARG H H 77 8.755 8.748 0.007 1
1 977 . 8 1 1 A 82 82 ARG CA C 77 58.776 58.810 -0.034 1
1 978 . 8 1 1 A 82 82 ARG HA H 77 3.892 4.024 -0.132 1
1 979 . 8 1 1 A 82 82 ARG CB C 77 29.459 30.259 -0.800 1
1 995 . 8 1 1 A 82 82 ARG C C 77 178.748 178.437 0.311 1
1 996 . 8 1 1 A 83 83 LYS N N 78 118.075 119.788 -1.713 1
1 997 . 8 1 1 A 83 83 LYS H H 78 7.696 7.843 -0.147 1
1 998 . 8 1 1 A 83 83 LYS CA C 78 58.614 59.040 -0.426 1
1 999 . 8 1 1 A 83 83 LYS HA H 78 4.031 4.103 -0.072 1
1 1000 . 8 1 1 A 83 83 LYS CB C 78 32.055 31.665 0.390 1
1 1005 . 8 1 1 A 83 83 LYS C C 78 177.890 178.762 -0.872 1
1 1006 . 8 1 1 A 84 84 MET N N 79 118.233 119.574 -1.341 1
1 1007 . 8 1 1 A 84 84 MET H H 79 7.748 8.018 -0.270 1
1 1008 . 8 1 1 A 84 84 MET CA C 79 57.254 58.341 -1.087 1
1 1009 . 8 1 1 A 84 84 MET HA H 79 4.189 4.183 0.006 1
1 1010 . 8 1 1 A 84 84 MET CB C 79 32.169 32.607 -0.438 1
1 1020 . 8 1 1 A 84 84 MET C C 79 177.036 177.278 -0.242 1
1 1021 . 8 1 1 A 85 85 GLN N N 80 117.242 114.885 2.357 1
1 1022 . 8 1 1 A 85 85 GLN H H 80 7.843 7.407 0.436 1
1 1023 . 8 1 1 A 85 85 GLN CA C 80 56.500 54.655 1.845 1
1 1024 . 8 1 1 A 85 85 GLN HA H 80 3.993 4.486 -0.493 1
1 1025 . 8 1 1 A 85 85 GLN CB C 80 28.124 30.082 -1.958 1
1 1035 . 8 1 1 A 85 85 GLN C C 80 176.756 175.003 1.753 1
1 1036 . 8 1 1 A 86 86 ILE N N 81 119.178 117.748 1.430 1
1 1037 . 8 1 1 A 86 86 ILE H H 81 7.715 7.472 0.243 1
1 1038 . 8 1 1 A 86 86 ILE CA C 81 61.995 61.808 0.187 1
1 1039 . 8 1 1 A 86 86 ILE HA H 81 3.948 4.310 -0.362 1
1 1040 . 8 1 1 A 86 86 ILE CB C 81 37.856 37.094 0.762 1
1 1052 . 8 1 1 A 86 86 ILE C C 81 176.728 174.540 2.188 1
1 1053 . 8 1 1 A 87 87 GLN N N 82 121.380 126.346 -4.966 1
1 1054 . 8 1 1 A 87 87 GLN H H 82 8.164 8.635 -0.471 1
1 1055 . 8 1 1 A 87 87 GLN CA C 82 56.075 53.991 2.084 1
1 1056 . 8 1 1 A 87 87 GLN HA H 82 4.227 4.551 -0.324 1
1 1057 . 8 1 1 A 87 87 GLN CB C 82 28.735 31.057 -2.322 1
1 1066 . 8 1 1 A 87 87 GLN C C 82 175.836 175.777 0.059 1
1 1067 . 8 1 1 A 88 88 CYS N N 83 118.668 120.503 -1.835 1
1 1068 . 8 1 1 A 88 88 CYS H H 83 8.238 8.386 -0.148 1
1 1069 . 8 1 1 A 88 88 CYS CA C 83 58.012 58.771 -0.759 1
1 1070 . 8 1 1 A 88 88 CYS HA H 83 4.475 4.584 -0.109 1
1 1071 . 8 1 1 A 88 88 CYS CB C 83 27.697 27.553 0.144 1
1 1074 . 8 1 1 A 88 88 CYS C C 83 173.428 173.578 -0.150 1
1 1075 . 8 1 1 A 89 89 ALA N N 84 127.014 121.397 5.617 1
1 1076 . 8 1 1 A 89 89 ALA H H 84 8.249 7.931 0.318 1
1 1077 . 8 1 1 A 89 89 ALA CA C 84 50.615 52.838 -2.223 1
1 1078 . 8 1 1 A 89 89 ALA HA H 84 4.562 4.046 0.516 1
1 1082 . 8 1 1 A 89 89 ALA CB C 84 17.465 17.485 -0.020 1
1 1083 . 8 1 1 A 89 89 ALA C C 84 175.125 178.071 -2.946 1
1 1085 . 8 1 1 A 90 90 PRO CA C 85 63.085 63.991 -0.906 1
1 1086 . 8 1 1 A 90 90 PRO HA H 85 4.386 4.367 0.019 1
1 1087 . 8 1 1 A 90 90 PRO CB C 85 31.491 32.020 -0.529 1
1 1095 . 8 1 1 A 90 90 PRO C C 85 176.381 176.381 0.000 1
1 1096 . 8 1 1 A 91 91 ASP N N 86 119.209 116.349 2.860 1
1 1097 . 8 1 1 A 91 91 ASP H H 86 8.429 8.192 0.237 1
1 1098 . 8 1 1 A 91 91 ASP CA C 86 53.752 55.398 -1.646 1
1 1099 . 8 1 1 A 91 91 ASP HA H 86 4.394 4.297 0.097 1
1 1100 . 8 1 1 A 91 91 ASP CB C 86 40.319 39.103 1.216 1
1 1103 . 8 1 1 A 91 91 ASP C C 86 176.101 175.975 0.126 1
1 1104 . 8 1 1 A 92 92 LEU N N 87 122.571 118.136 4.435 1
1 1105 . 8 1 1 A 92 92 LEU H H 87 8.208 8.083 0.125 1
1 1106 . 8 1 1 A 92 92 LEU CA C 87 55.327 55.731 -0.404 1
1 1107 . 8 1 1 A 92 92 LEU HA H 87 4.205 3.974 0.231 1
1 1108 . 8 1 1 A 92 92 LEU CB C 87 41.636 40.904 0.732 1
1 1121 . 8 1 1 A 92 92 LEU C C 87 177.406 175.715 1.691 1
1 1122 . 8 1 1 A 93 93 ALA N N 88 123.131 117.518 5.613 1
1 1123 . 8 1 1 A 93 93 ALA H H 88 8.305 8.228 0.077 1
1 1124 . 8 1 1 A 93 93 ALA CA C 88 52.823 53.097 -0.274 1
1 1125 . 8 1 1 A 93 93 ALA HA H 88 4.245 3.915 0.330 1
1 1129 . 8 1 1 A 93 93 ALA CB C 88 18.496 17.274 1.222 1
1 1130 . 8 1 1 A 93 93 ALA C C 88 178.033 176.606 1.427 1
1 1131 . 8 1 1 A 94 94 THR N N 89 112.097 102.157 9.940 1
1 1132 . 8 1 1 A 94 94 THR H H 89 7.994 8.069 -0.075 1
1 1133 . 8 1 1 A 94 94 THR CA C 89 61.892 61.734 0.158 1
1 1134 . 8 1 1 A 94 94 THR HA H 89 4.247 4.045 0.202 1
1 1135 . 8 1 1 A 94 94 THR CB C 89 69.076 67.794 1.282 1
1 1141 . 8 1 1 A 94 94 THR C C 89 174.478 174.328 0.150 1
1 1142 . 8 1 1 A 95 95 ARG N N 90 122.704 126.422 -3.718 1
1 1143 . 8 1 1 A 95 95 ARG H H 90 8.211 8.775 -0.564 1
1 1144 . 8 1 1 A 95 95 ARG CA C 90 55.803 55.719 0.084 1
1 1145 . 8 1 1 A 95 95 ARG HA H 90 4.336 4.557 -0.221 1
1 1146 . 8 1 1 A 95 95 ARG CB C 90 30.263 30.209 0.054 1
1 1157 . 8 1 1 A 95 95 ARG C C 90 175.958 176.756 -0.798 1
1 1158 . 8 1 1 A 96 96 SER N N 91 116.390 114.395 1.995 1
1 1159 . 8 1 1 A 96 96 SER H H 91 8.365 7.851 0.514 1
1 1160 . 8 1 1 A 96 96 SER CA C 91 58.011 57.958 0.053 1
1 1161 . 8 1 1 A 96 96 SER HA H 91 4.383 4.515 -0.132 1
1 1162 . 8 1 1 A 96 96 SER CB C 91 63.261 62.875 0.386 1
1 1165 . 8 1 1 A 96 96 SER C C 91 174.016 174.612 -0.596 1
1 1166 . 8 1 1 A 97 97 HIS N N 92 120.507 120.232 0.275 1
1 1167 . 8 1 1 A 97 97 HIS H H 92 8.541 7.811 0.730 1
1 1168 . 8 1 1 A 97 97 HIS CA C 92 55.068 55.838 -0.770 1
1 1169 . 8 1 1 A 97 97 HIS HA H 92 4.707 4.822 -0.115 1
1 1170 . 8 1 1 A 97 97 HIS CB C 92 28.839 30.418 -1.579 1
1 1173 . 8 1 1 A 97 97 HIS C C 92 174.186 173.825 0.361 1
1 1174 . 8 1 1 A 98 98 SER N N 93 116.801 110.839 5.962 1
1 1175 . 8 1 1 A 98 98 SER H H 93 8.455 7.449 1.006 1
1 1176 . 8 1 1 A 98 98 SER CA C 93 58.046 57.539 0.507 1
1 1177 . 8 1 1 A 98 98 SER HA H 93 4.450 4.561 -0.111 1
1 1178 . 8 1 1 A 98 98 SER CB C 93 63.434 65.620 -2.186 1
1 1181 . 8 1 1 A 98 98 SER C C 93 174.553 174.580 -0.027 1
1 1182 . 8 1 1 A 99 99 GLY N N 94 111.114 110.459 0.655 1
1 1183 . 8 1 1 A 99 99 GLY H H 94 8.597 8.927 -0.330 1
1 1184 . 8 1 1 A 99 99 GLY CA C 94 44.888 47.476 -2.588 1
1 1185 . 8 1 1 A 99 99 GLY HA2 H 94 3.998 3.816 0.182 1
1 1186 . 8 1 1 A 99 99 GLY HA3 H 94 3.998 3.823 0.175 1
1 1187 . 8 1 1 A 99 99 GLY C C 94 173.856 175.176 -1.320 1
1 1188 . 8 1 1 A 100 100 SER N N 95 115.398 110.226 5.172 1
1 1189 . 8 1 1 A 100 100 SER H H 95 8.311 8.037 0.274 1
1 1190 . 8 1 1 A 100 100 SER CA C 95 57.909 60.324 -2.415 1
1 1191 . 8 1 1 A 100 100 SER HA H 95 4.422 4.314 0.108 1
1 1192 . 8 1 1 A 100 100 SER CB C 95 63.377 61.302 2.075 1
1 1195 . 8 1 1 A 100 100 SER C C 95 173.695 174.132 -0.437 1
1 1196 . 8 1 1 A 101 101 ASP N N 96 121.810 118.483 3.327 1
1 1197 . 8 1 1 A 101 101 ASP H H 96 8.380 8.390 -0.010 1
1 1198 . 8 1 1 A 101 101 ASP CA C 96 53.797 54.246 -0.449 1
1 1199 . 8 1 1 A 101 101 ASP HA H 96 4.546 4.923 -0.377 1
1 1200 . 8 1 1 A 101 101 ASP CB C 96 40.440 42.508 -2.068 1
1 1203 . 8 1 1 A 101 101 ASP C C 96 175.547 176.755 -1.208 1
1 1204 . 8 1 1 A 102 102 PHE N N 97 120.706 117.435 3.271 1
1 1205 . 8 1 1 A 102 102 PHE H H 97 8.249 8.056 0.193 1
1 1206 . 8 1 1 A 102 102 PHE CA C 97 57.444 57.926 -0.482 1
1 1207 . 8 1 1 A 102 102 PHE HA H 97 4.546 4.586 -0.040 1
1 1208 . 8 1 1 A 102 102 PHE CB C 97 38.772 39.271 -0.499 1
1 1214 . 8 1 1 A 102 102 PHE C C 97 175.312 175.786 -0.474 1
1 1215 . 8 1 1 A 103 103 SER N N 98 116.992 115.093 1.899 1
1 1216 . 8 1 1 A 103 103 SER H H 98 8.167 7.981 0.186 1
1 1217 . 8 1 1 A 103 103 SER CA C 98 57.983 57.592 0.391 1
1 1218 . 8 1 1 A 103 103 SER HA H 98 4.314 4.744 -0.430 1
1 1219 . 8 1 1 A 103 103 SER CB C 98 63.384 63.721 -0.337 1
1 1222 . 8 1 1 A 103 103 SER C C 98 173.286 173.110 0.176 1
1 1223 . 8 1 1 A 104 104 PHE N N 99 122.000 124.785 -2.785 1
1 1224 . 8 1 1 A 104 104 PHE H H 99 8.170 8.568 -0.398 1
1 1225 . 8 1 1 A 104 104 PHE CA C 99 57.354 56.282 1.072 1
1 1226 . 8 1 1 A 104 104 PHE HA H 99 4.545 4.658 -0.113 1
1 1227 . 8 1 1 A 104 104 PHE CB C 99 39.045 37.780 1.265 1
1 1233 . 8 1 1 A 104 104 PHE C C 99 174.621 174.785 -0.164 1
1 1234 . 8 1 1 A 105 105 ARG N N 100 124.796 122.820 1.976 1
1 1235 . 8 1 1 A 105 105 ARG H H 100 8.101 8.469 -0.368 1
1 1236 . 8 1 1 A 105 105 ARG CA C 100 52.919 55.127 -2.208 1
1 1237 . 8 1 1 A 105 105 ARG HA H 100 4.542 4.421 0.121 1
1 1238 . 8 1 1 A 105 105 ARG CB C 100 29.973 30.378 -0.405 1
1 1247 . 8 1 1 A 105 105 ARG C C 100 172.924 175.499 -2.575 1
1 1249 . 8 1 1 A 106 106 PRO CA C 101 62.366 62.330 0.036 1
1 1250 . 8 1 1 A 106 106 PRO HA H 101 4.349 4.550 -0.201 1
1 1251 . 8 1 1 A 106 106 PRO CB C 101 31.609 33.342 -1.733 1
1 1259 . 8 1 1 A 106 106 PRO C C 101 176.395 176.463 -0.068 1
1 1260 . 8 1 1 A 107 107 ILE N N 102 121.380 120.669 0.711 1
1 1261 . 8 1 1 A 107 107 ILE H H 102 8.350 8.640 -0.290 1
1 1262 . 8 1 1 A 107 107 ILE CA C 102 60.925 60.488 0.437 1
1 1263 . 8 1 1 A 107 107 ILE HA H 102 4.050 4.552 -0.502 1
1 1264 . 8 1 1 A 107 107 ILE CB C 102 38.165 38.456 -0.291 1
1 1277 . 8 1 1 A 107 107 ILE C C 102 175.990 175.578 0.412 1
1 1278 . 8 1 1 A 108 108 GLU N N 103 124.836 120.802 4.034 1
1 1279 . 8 1 1 A 108 108 GLU H H 103 8.578 8.088 0.490 1
1 1280 . 8 1 1 A 108 108 GLU CA C 103 55.915 57.365 -1.450 1
1 1281 . 8 1 1 A 108 108 GLU HA H 103 4.279 3.977 0.302 1
1 1282 . 8 1 1 A 108 108 GLU CB C 103 29.902 28.454 1.448 1
1 1288 . 8 1 1 A 108 108 GLU C C 103 175.678 175.412 0.266 1
1 1289 . 8 1 1 A 109 109 GLU N N 104 122.847 119.367 3.480 1
1 1290 . 8 1 1 A 109 109 GLU H H 104 8.459 8.354 0.105 1
1 1291 . 8 1 1 A 109 109 GLU CA C 104 55.845 55.498 0.347 1
1 1292 . 8 1 1 A 109 109 GLU HA H 104 4.273 4.495 -0.222 1
1 1293 . 8 1 1 A 109 109 GLU CB C 104 29.990 28.227 1.763 1
1 1299 . 8 1 1 A 109 109 GLU C C 104 174.661 175.141 -0.480 1
1 3 . 9 1 1 A 2 2 SER N N -4 115.528 115.438 0.090 1
1 4 . 9 1 1 A 2 2 SER H H -4 8.751 9.107 -0.356 1
1 5 . 9 1 1 A 2 2 SER CA C -4 57.819 59.073 -1.254 1
1 6 . 9 1 1 A 2 2 SER HA H -4 4.461 3.953 0.508 1
1 7 . 9 1 1 A 2 2 SER CB C -4 63.389 61.726 1.663 1
1 8 . 9 1 1 A 2 2 SER C C -4 173.924 173.647 0.277 1
1 9 . 9 1 1 A 3 3 HIS N N -3 120.998 110.449 10.549 1
1 10 . 9 1 1 A 3 3 HIS H H -3 8.769 8.140 0.629 1
1 11 . 9 1 1 A 3 3 HIS CA C -3 55.238 56.811 -1.573 1
1 12 . 9 1 1 A 3 3 HIS HA H -3 4.703 4.186 0.517 1
1 13 . 9 1 1 A 3 3 HIS CB C -3 28.916 26.866 2.050 1
1 16 . 9 1 1 A 3 3 HIS C C -3 174.207 173.938 0.269 1
1 17 . 9 1 1 A 4 4 MET N N -2 122.227 116.735 5.492 1
1 18 . 9 1 1 A 4 4 MET H H -2 8.518 7.517 1.001 1
1 19 . 9 1 1 A 4 4 MET CA C -2 55.003 54.718 0.285 1
1 20 . 9 1 1 A 4 4 MET HA H -2 4.420 4.726 -0.306 1
1 21 . 9 1 1 A 4 4 MET CB C -2 32.578 33.270 -0.692 1
1 31 . 9 1 1 A 4 4 MET C C -2 175.475 174.462 1.013 1
1 49 . 9 1 1 A 7 7 ALA N N 2 124.543 123.634 0.909 1
1 50 . 9 1 1 A 7 7 ALA H H 2 8.453 8.163 0.290 1
1 51 . 9 1 1 A 7 7 ALA CA C 2 53.203 54.521 -1.318 1
1 52 . 9 1 1 A 7 7 ALA HA H 2 4.211 4.063 0.148 1
1 56 . 9 1 1 A 7 7 ALA CB C 2 18.387 18.127 0.260 1
1 57 . 9 1 1 A 7 7 ALA C C 2 178.091 179.332 -1.241 1
1 58 . 9 1 1 A 8 8 ASP N N 3 118.618 118.627 -0.009 1
1 59 . 9 1 1 A 8 8 ASP H H 3 8.064 7.826 0.238 1
1 60 . 9 1 1 A 8 8 ASP CA C 3 54.381 56.632 -2.251 1
1 61 . 9 1 1 A 8 8 ASP HA H 3 4.551 4.346 0.205 1
1 62 . 9 1 1 A 8 8 ASP CB C 3 40.446 40.843 -0.397 1
1 65 . 9 1 1 A 8 8 ASP C C 3 176.662 178.293 -1.631 1
1 66 . 9 1 1 A 9 9 LEU N N 4 123.427 120.437 2.990 1
1 67 . 9 1 1 A 9 9 LEU H H 4 8.202 7.948 0.254 1
1 68 . 9 1 1 A 9 9 LEU CA C 4 57.491 57.891 -0.400 1
1 69 . 9 1 1 A 9 9 LEU HA H 4 4.084 3.987 0.097 1
1 70 . 9 1 1 A 9 9 LEU CB C 4 41.745 41.589 0.156 1
1 80 . 9 1 1 A 9 9 LEU C C 4 178.873 178.728 0.145 1
1 81 . 9 1 1 A 10 10 VAL N N 5 119.385 119.200 0.185 1
1 82 . 9 1 1 A 10 10 VAL H H 5 8.186 8.209 -0.023 1
1 83 . 9 1 1 A 10 10 VAL CA C 5 66.686 66.634 0.052 1
1 84 . 9 1 1 A 10 10 VAL HA H 5 3.435 3.460 -0.025 1
1 85 . 9 1 1 A 10 10 VAL CB C 5 31.135 31.569 -0.434 1
1 95 . 9 1 1 A 10 10 VAL C C 5 177.408 178.160 -0.752 1
1 96 . 9 1 1 A 11 11 SER N N 6 115.027 115.295 -0.268 1
1 97 . 9 1 1 A 11 11 SER H H 6 8.252 8.029 0.223 1
1 98 . 9 1 1 A 11 11 SER CA C 6 61.229 61.613 -0.384 1
1 99 . 9 1 1 A 11 11 SER HA H 6 4.068 4.011 0.057 1
1 100 . 9 1 1 A 11 11 SER CB C 6 62.054 62.820 -0.766 1
1 103 . 9 1 1 A 11 11 SER C C 6 176.036 177.239 -1.203 1
1 104 . 9 1 1 A 12 12 SER N N 7 115.144 115.192 -0.048 1
1 105 . 9 1 1 A 12 12 SER H H 7 8.053 7.927 0.126 1
1 106 . 9 1 1 A 12 12 SER CA C 7 60.212 61.636 -1.424 1
1 107 . 9 1 1 A 12 12 SER HA H 7 4.309 4.076 0.233 1
1 108 . 9 1 1 A 12 12 SER CB C 7 62.720 62.771 -0.051 1
1 111 . 9 1 1 A 12 12 SER C C 7 176.540 177.204 -0.664 1
1 112 . 9 1 1 A 13 13 CYS N N 8 118.211 119.055 -0.844 1
1 113 . 9 1 1 A 13 13 CYS H H 8 7.919 8.274 -0.355 1
1 114 . 9 1 1 A 13 13 CYS CA C 8 63.729 63.937 -0.208 1
1 115 . 9 1 1 A 13 13 CYS HA H 8 4.046 4.031 0.015 1
1 116 . 9 1 1 A 13 13 CYS CB C 8 26.703 27.057 -0.354 1
1 119 . 9 1 1 A 13 13 CYS C C 8 175.645 176.849 -1.204 1
1 120 . 9 1 1 A 14 14 LYS N N 9 120.074 121.558 -1.484 1
1 121 . 9 1 1 A 14 14 LYS H H 9 8.632 8.072 0.560 1
1 122 . 9 1 1 A 14 14 LYS CA C 9 60.438 59.656 0.782 1
1 123 . 9 1 1 A 14 14 LYS HA H 9 3.668 3.960 -0.292 1
1 124 . 9 1 1 A 14 14 LYS CB C 9 31.655 32.028 -0.373 1
1 136 . 9 1 1 A 14 14 LYS C C 9 177.590 177.854 -0.264 1
1 137 . 9 1 1 A 15 15 ASP N N 10 117.611 119.480 -1.869 1
1 138 . 9 1 1 A 15 15 ASP H H 10 7.732 8.135 -0.403 1
1 139 . 9 1 1 A 15 15 ASP CA C 10 56.325 57.386 -1.061 1
1 140 . 9 1 1 A 15 15 ASP HA H 10 4.320 4.275 0.045 1
1 141 . 9 1 1 A 15 15 ASP CB C 10 40.092 41.726 -1.634 1
1 144 . 9 1 1 A 15 15 ASP C C 10 177.731 178.453 -0.722 1
1 145 . 9 1 1 A 16 16 LYS N N 11 117.878 119.977 -2.099 1
1 146 . 9 1 1 A 16 16 LYS H H 11 7.254 7.760 -0.506 1
1 147 . 9 1 1 A 16 16 LYS CA C 11 58.984 59.572 -0.588 1
1 148 . 9 1 1 A 16 16 LYS HA H 11 3.662 4.076 -0.414 1
1 149 . 9 1 1 A 16 16 LYS CB C 11 32.933 31.739 1.194 1
1 158 . 9 1 1 A 16 16 LYS C C 11 177.350 178.325 -0.975 1
1 159 . 9 1 1 A 17 17 LEU N N 12 115.652 120.476 -4.824 1
1 160 . 9 1 1 A 17 17 LEU H H 12 8.138 8.305 -0.167 1
1 161 . 9 1 1 A 17 17 LEU CA C 12 56.722 57.913 -1.191 1
1 162 . 9 1 1 A 17 17 LEU HA H 12 3.588 3.946 -0.358 1
1 163 . 9 1 1 A 17 17 LEU CB C 12 41.870 41.336 0.534 1
1 174 . 9 1 1 A 17 17 LEU C C 12 177.545 178.372 -0.827 1
1 175 . 9 1 1 A 18 18 ALA N N 13 116.045 120.578 -4.533 1
1 176 . 9 1 1 A 18 18 ALA H H 13 7.080 8.542 -1.462 1
1 177 . 9 1 1 A 18 18 ALA CA C 13 53.475 54.421 -0.946 1
1 178 . 9 1 1 A 18 18 ALA HA H 13 3.984 4.161 -0.177 1
1 182 . 9 1 1 A 18 18 ALA CB C 13 18.121 18.924 -0.803 1
1 183 . 9 1 1 A 18 18 ALA C C 13 178.298 179.924 -1.626 1
1 184 . 9 1 1 A 19 19 TYR N N 14 115.556 119.259 -3.703 1
1 185 . 9 1 1 A 19 19 TYR H H 14 7.675 7.716 -0.041 1
1 186 . 9 1 1 A 19 19 TYR CA C 14 58.741 59.886 -1.145 1
1 187 . 9 1 1 A 19 19 TYR HA H 14 4.323 4.329 -0.006 1
1 188 . 9 1 1 A 19 19 TYR CB C 14 38.610 39.376 -0.766 1
1 193 . 9 1 1 A 19 19 TYR C C 14 176.007 175.988 0.019 1
1 194 . 9 1 1 A 20 20 PHE N N 15 118.275 119.507 -1.232 1
1 195 . 9 1 1 A 20 20 PHE H H 15 7.406 7.886 -0.480 1
1 196 . 9 1 1 A 20 20 PHE CA C 15 56.542 56.833 -0.291 1
1 197 . 9 1 1 A 20 20 PHE HA H 15 4.652 4.789 -0.137 1
1 198 . 9 1 1 A 20 20 PHE CB C 15 38.561 40.744 -2.183 1
1 202 . 9 1 1 A 20 20 PHE C C 15 176.160 175.923 0.237 1
1 203 . 9 1 1 A 21 21 ARG N N 16 119.140 124.075 -4.935 1
1 204 . 9 1 1 A 21 21 ARG H H 16 8.714 8.213 0.501 1
1 205 . 9 1 1 A 21 21 ARG CA C 16 54.474 56.096 -1.622 1
1 206 . 9 1 1 A 21 21 ARG HA H 16 4.747 4.209 0.538 1
1 207 . 9 1 1 A 21 21 ARG CB C 16 30.097 31.647 -1.550 1
1 223 . 9 1 1 A 21 21 ARG C C 16 177.095 177.776 -0.681 1
1 224 . 9 1 1 A 22 22 ILE N N 17 120.734 124.939 -4.205 1
1 225 . 9 1 1 A 22 22 ILE H H 17 8.708 8.802 -0.094 1
1 226 . 9 1 1 A 22 22 ILE CA C 17 65.114 64.634 0.480 1
1 227 . 9 1 1 A 22 22 ILE HA H 17 3.740 3.730 0.010 1
1 228 . 9 1 1 A 22 22 ILE CB C 17 36.768 37.656 -0.888 1
1 241 . 9 1 1 A 22 22 ILE C C 17 176.639 178.046 -1.407 1
1 242 . 9 1 1 A 23 23 LYS N N 18 118.184 121.669 -3.485 1
1 243 . 9 1 1 A 23 23 LYS H H 18 8.267 8.311 -0.044 1
1 244 . 9 1 1 A 23 23 LYS CA C 18 59.978 59.995 -0.017 1
1 245 . 9 1 1 A 23 23 LYS HA H 18 3.909 3.893 0.016 1
1 246 . 9 1 1 A 23 23 LYS CB C 18 32.191 32.440 -0.249 1
1 258 . 9 1 1 A 23 23 LYS C C 18 178.185 179.165 -0.980 1
1 259 . 9 1 1 A 24 24 GLU N N 19 117.651 119.470 -1.819 1
1 260 . 9 1 1 A 24 24 GLU H H 19 7.198 8.091 -0.893 1
1 261 . 9 1 1 A 24 24 GLU CA C 19 60.601 58.982 1.619 1
1 262 . 9 1 1 A 24 24 GLU HA H 19 4.056 4.085 -0.029 1
1 263 . 9 1 1 A 24 24 GLU CB C 19 28.859 29.402 -0.543 1
1 269 . 9 1 1 A 24 24 GLU C C 19 178.542 179.449 -0.907 1
1 270 . 9 1 1 A 25 25 LEU N N 20 119.236 120.036 -0.800 1
1 271 . 9 1 1 A 25 25 LEU H H 20 7.980 8.308 -0.328 1
1 272 . 9 1 1 A 25 25 LEU CA C 20 57.812 58.004 -0.192 1
1 273 . 9 1 1 A 25 25 LEU HA H 20 3.947 3.994 -0.047 1
1 274 . 9 1 1 A 25 25 LEU CB C 20 42.172 40.917 1.255 1
1 281 . 9 1 1 A 25 25 LEU C C 20 178.081 179.417 -1.336 1
1 282 . 9 1 1 A 26 26 LYS N N 21 117.457 121.219 -3.762 1
1 283 . 9 1 1 A 26 26 LYS H H 21 8.770 8.429 0.341 1
1 284 . 9 1 1 A 26 26 LYS CA C 21 60.741 59.541 1.200 1
1 285 . 9 1 1 A 26 26 LYS HA H 21 3.806 3.922 -0.116 1
1 286 . 9 1 1 A 26 26 LYS CB C 21 31.876 31.947 -0.071 1
1 287 . 9 1 1 A 26 26 LYS C C 21 177.659 178.289 -0.630 1
1 288 . 9 1 1 A 27 27 ASP N N 22 119.023 119.606 -0.583 1
1 289 . 9 1 1 A 27 27 ASP H H 22 7.671 8.202 -0.531 1
1 290 . 9 1 1 A 27 27 ASP CA C 22 56.971 57.709 -0.738 1
1 291 . 9 1 1 A 27 27 ASP HA H 22 4.409 4.401 0.008 1
1 292 . 9 1 1 A 27 27 ASP CB C 22 40.196 41.685 -1.489 1
1 295 . 9 1 1 A 27 27 ASP C C 22 180.796 178.733 2.063 1
1 296 . 9 1 1 A 28 28 ILE N N 23 119.318 119.855 -0.537 1
1 297 . 9 1 1 A 28 28 ILE H H 23 8.039 7.788 0.251 1
1 298 . 9 1 1 A 28 28 ILE CA C 23 65.328 65.495 -0.167 1
1 299 . 9 1 1 A 28 28 ILE HA H 23 3.601 3.678 -0.077 1
1 300 . 9 1 1 A 28 28 ILE CB C 23 37.309 37.977 -0.668 1
1 313 . 9 1 1 A 28 28 ILE C C 23 177.251 178.342 -1.091 1
1 314 . 9 1 1 A 29 29 LEU N N 24 120.356 121.322 -0.966 1
1 315 . 9 1 1 A 29 29 LEU H H 24 8.220 8.190 0.030 1
1 316 . 9 1 1 A 29 29 LEU CA C 24 58.535 58.268 0.267 1
1 317 . 9 1 1 A 29 29 LEU HA H 24 3.824 3.996 -0.172 1
1 318 . 9 1 1 A 29 29 LEU CB C 24 39.478 41.420 -1.942 1
1 326 . 9 1 1 A 29 29 LEU C C 24 178.599 178.305 0.294 1
1 327 . 9 1 1 A 30 30 ASN N N 25 117.446 117.045 0.401 1
1 328 . 9 1 1 A 30 30 ASN H H 25 8.687 8.304 0.383 1
1 329 . 9 1 1 A 30 30 ASN CA C 25 56.241 56.626 -0.385 1
1 330 . 9 1 1 A 30 30 ASN HA H 25 4.520 4.396 0.124 1
1 331 . 9 1 1 A 30 30 ASN CB C 25 38.899 39.006 -0.107 1
1 338 . 9 1 1 A 30 30 ASN C C 25 178.958 178.241 0.717 1
1 339 . 9 1 1 A 31 31 GLN N N 26 119.946 118.235 1.711 1
1 340 . 9 1 1 A 31 31 GLN H H 26 8.184 7.991 0.193 1
1 341 . 9 1 1 A 31 31 GLN CA C 26 58.779 58.688 0.091 1
1 342 . 9 1 1 A 31 31 GLN HA H 26 4.055 4.052 0.003 1
1 343 . 9 1 1 A 31 31 GLN CB C 26 29.109 28.346 0.763 1
1 353 . 9 1 1 A 31 31 GLN C C 26 177.586 179.194 -1.608 1
1 354 . 9 1 1 A 32 32 LEU N N 27 116.979 117.989 -1.010 1
1 355 . 9 1 1 A 32 32 LEU H H 27 7.893 7.662 0.231 1
1 356 . 9 1 1 A 32 32 LEU CA C 27 54.393 55.918 -1.525 1
1 357 . 9 1 1 A 32 32 LEU HA H 27 4.240 4.170 0.070 1
1 358 . 9 1 1 A 32 32 LEU CB C 27 42.566 42.515 0.051 1
1 369 . 9 1 1 A 32 32 LEU C C 27 175.693 177.001 -1.308 1
1 370 . 9 1 1 A 33 33 GLY N N 28 108.299 106.817 1.482 1
1 371 . 9 1 1 A 33 33 GLY H H 28 7.834 8.505 -0.671 1
1 372 . 9 1 1 A 33 33 GLY CA C 28 45.707 46.091 -0.384 1
1 373 . 9 1 1 A 33 33 GLY HA2 H 28 3.952 3.945 0.007 1
1 374 . 9 1 1 A 33 33 GLY HA3 H 28 3.952 3.946 0.006 1
1 375 . 9 1 1 A 33 33 GLY C C 28 174.317 174.862 -0.545 1
1 376 . 9 1 1 A 34 34 LEU N N 29 120.833 115.621 5.212 1
1 377 . 9 1 1 A 34 34 LEU H H 29 7.986 7.155 0.831 1
1 378 . 9 1 1 A 34 34 LEU CA C 29 51.600 51.815 -0.215 1
1 379 . 9 1 1 A 34 34 LEU HA H 29 4.760 4.746 0.014 1
1 380 . 9 1 1 A 34 34 LEU CB C 29 43.531 42.046 1.485 1
1 392 . 9 1 1 A 35 35 PRO CA C 30 62.741 62.445 0.296 1
1 393 . 9 1 1 A 35 35 PRO HA H 30 4.365 4.637 -0.272 1
1 394 . 9 1 1 A 35 35 PRO CB C 30 31.856 29.441 2.415 1
1 402 . 9 1 1 A 35 35 PRO C C 30 177.334 175.524 1.810 1
1 403 . 9 1 1 A 36 36 LYS N N 31 117.589 123.956 -6.367 1
1 404 . 9 1 1 A 36 36 LYS H H 31 8.380 8.300 0.080 1
1 405 . 9 1 1 A 36 36 LYS CA C 31 55.569 55.674 -0.105 1
1 406 . 9 1 1 A 36 36 LYS HA H 31 4.288 4.533 -0.245 1
1 407 . 9 1 1 A 36 36 LYS CB C 31 33.225 32.615 0.610 1
1 417 . 9 1 1 A 36 36 LYS C C 31 174.406 174.908 -0.502 1
1 418 . 9 1 1 A 37 37 GLN N N 32 118.260 121.779 -3.519 1
1 419 . 9 1 1 A 37 37 GLN H H 32 7.698 8.287 -0.589 1
1 420 . 9 1 1 A 37 37 GLN CA C 32 55.716 53.747 1.969 1
1 421 . 9 1 1 A 37 37 GLN HA H 32 4.392 4.674 -0.282 1
1 422 . 9 1 1 A 37 37 GLN CB C 32 28.251 31.353 -3.102 1
1 432 . 9 1 1 A 37 37 GLN C C 32 175.122 175.611 -0.489 1
1 433 . 9 1 1 A 38 38 GLY N N 33 109.855 107.661 2.194 1
1 434 . 9 1 1 A 38 38 GLY H H 33 8.449 8.332 0.117 1
1 435 . 9 1 1 A 38 38 GLY CA C 33 43.315 44.553 -1.238 1
1 436 . 9 1 1 A 38 38 GLY HA2 H 33 4.600 4.099 0.501 1
1 437 . 9 1 1 A 38 38 GLY HA3 H 33 3.803 4.099 -0.296 1
1 438 . 9 1 1 A 38 38 GLY C C 33 173.537 173.176 0.361 1
1 439 . 9 1 1 A 39 39 LYS N N 34 117.627 120.042 -2.415 1
1 440 . 9 1 1 A 39 39 LYS H H 34 8.649 8.279 0.370 1
1 441 . 9 1 1 A 39 39 LYS CA C 34 54.916 54.201 0.715 1
1 442 . 9 1 1 A 39 39 LYS HA H 34 4.395 4.578 -0.183 1
1 443 . 9 1 1 A 39 39 LYS CB C 34 32.893 33.618 -0.725 1
1 455 . 9 1 1 A 39 39 LYS C C 34 176.803 178.225 -1.422 1
1 456 . 9 1 1 A 40 40 LYS N N 35 121.705 118.899 2.806 1
1 457 . 9 1 1 A 40 40 LYS H H 35 8.920 8.621 0.299 1
1 458 . 9 1 1 A 40 40 LYS CA C 35 61.574 59.270 2.304 1
1 459 . 9 1 1 A 40 40 LYS HA H 35 3.599 3.945 -0.346 1
1 460 . 9 1 1 A 40 40 LYS CB C 35 31.924 32.263 -0.339 1
1 472 . 9 1 1 A 40 40 LYS C C 35 177.366 178.466 -1.100 1
1 473 . 9 1 1 A 41 41 GLN N N 36 114.634 118.474 -3.840 1
1 474 . 9 1 1 A 41 41 GLN H H 36 9.017 7.897 1.120 1
1 475 . 9 1 1 A 41 41 GLN CA C 36 57.636 58.733 -1.097 1
1 476 . 9 1 1 A 41 41 GLN HA H 36 3.731 4.013 -0.282 1
1 477 . 9 1 1 A 41 41 GLN CB C 36 27.865 28.242 -0.377 1
1 487 . 9 1 1 A 41 41 GLN C C 36 176.872 178.628 -1.756 1
1 488 . 9 1 1 A 42 42 ASP N N 37 115.980 120.247 -4.267 1
1 489 . 9 1 1 A 42 42 ASP H H 37 7.047 7.877 -0.830 1
1 490 . 9 1 1 A 42 42 ASP CA C 37 56.593 57.341 -0.748 1
1 491 . 9 1 1 A 42 42 ASP HA H 37 4.297 4.425 -0.128 1
1 492 . 9 1 1 A 42 42 ASP CB C 37 39.839 40.968 -1.129 1
1 495 . 9 1 1 A 42 42 ASP C C 37 178.454 178.777 -0.323 1
1 496 . 9 1 1 A 43 43 LEU N N 38 119.074 120.534 -1.460 1
1 497 . 9 1 1 A 43 43 LEU H H 38 7.725 8.066 -0.341 1
1 498 . 9 1 1 A 43 43 LEU CA C 38 57.713 58.029 -0.316 1
1 499 . 9 1 1 A 43 43 LEU HA H 38 3.787 3.978 -0.191 1
1 500 . 9 1 1 A 43 43 LEU CB C 38 40.214 42.201 -1.987 1
1 513 . 9 1 1 A 43 43 LEU C C 38 177.872 179.009 -1.137 1
1 514 . 9 1 1 A 44 44 ILE N N 39 118.343 118.382 -0.039 1
1 515 . 9 1 1 A 44 44 ILE H H 39 7.867 8.130 -0.263 1
1 516 . 9 1 1 A 44 44 ILE CA C 39 66.090 65.645 0.445 1
1 517 . 9 1 1 A 44 44 ILE HA H 39 3.321 3.494 -0.173 1
1 518 . 9 1 1 A 44 44 ILE CB C 39 38.013 37.792 0.221 1
1 528 . 9 1 1 A 44 44 ILE C C 39 177.711 177.805 -0.094 1
1 529 . 9 1 1 A 45 45 ASP N N 40 118.533 120.475 -1.942 1
1 530 . 9 1 1 A 45 45 ASP H H 40 8.503 8.241 0.262 1
1 531 . 9 1 1 A 45 45 ASP CA C 40 57.009 57.220 -0.211 1
1 532 . 9 1 1 A 45 45 ASP HA H 40 4.272 4.457 -0.185 1
1 533 . 9 1 1 A 45 45 ASP CB C 40 39.419 41.687 -2.268 1
1 536 . 9 1 1 A 45 45 ASP C C 40 178.392 178.659 -0.267 1
1 537 . 9 1 1 A 46 46 ARG N N 41 120.911 119.770 1.141 1
1 538 . 9 1 1 A 46 46 ARG H H 41 7.717 7.886 -0.169 1
1 539 . 9 1 1 A 46 46 ARG CA C 41 59.048 59.780 -0.732 1
1 540 . 9 1 1 A 46 46 ARG HA H 41 3.991 4.031 -0.040 1
1 541 . 9 1 1 A 46 46 ARG CB C 41 29.817 30.571 -0.754 1
1 550 . 9 1 1 A 46 46 ARG C C 41 177.537 178.555 -1.018 1
1 551 . 9 1 1 A 47 47 VAL N N 42 117.438 119.373 -1.935 1
1 552 . 9 1 1 A 47 47 VAL H H 42 7.445 7.881 -0.436 1
1 553 . 9 1 1 A 47 47 VAL CA C 42 65.881 66.372 -0.491 1
1 554 . 9 1 1 A 47 47 VAL HA H 42 3.442 3.679 -0.237 1
1 555 . 9 1 1 A 47 47 VAL CB C 42 30.931 31.780 -0.849 1
1 565 . 9 1 1 A 47 47 VAL C C 42 177.671 178.316 -0.645 1
1 566 . 9 1 1 A 48 48 LEU N N 43 117.085 117.683 -0.598 1
1 567 . 9 1 1 A 48 48 LEU H H 43 8.466 8.068 0.398 1
1 568 . 9 1 1 A 48 48 LEU CA C 43 57.248 57.755 -0.507 1
1 569 . 9 1 1 A 48 48 LEU HA H 43 3.847 3.959 -0.112 1
1 570 . 9 1 1 A 48 48 LEU CB C 43 40.720 41.003 -0.283 1
1 583 . 9 1 1 A 48 48 LEU C C 43 179.581 179.653 -0.072 1
1 584 . 9 1 1 A 49 49 ALA N N 44 120.479 121.825 -1.346 1
1 585 . 9 1 1 A 49 49 ALA H H 44 7.953 8.009 -0.056 1
1 586 . 9 1 1 A 49 49 ALA CA C 44 53.997 54.636 -0.639 1
1 587 . 9 1 1 A 49 49 ALA HA H 44 4.123 4.117 0.006 1
1 591 . 9 1 1 A 49 49 ALA CB C 44 17.631 18.149 -0.518 1
1 592 . 9 1 1 A 49 49 ALA C C 44 178.926 179.548 -0.622 1
1 593 . 9 1 1 A 50 50 LEU N N 45 115.306 120.277 -4.971 1
1 594 . 9 1 1 A 50 50 LEU H H 45 7.428 7.729 -0.301 1
1 595 . 9 1 1 A 50 50 LEU CA C 45 55.652 57.676 -2.024 1
1 596 . 9 1 1 A 50 50 LEU HA H 45 4.219 4.122 0.097 1
1 597 . 9 1 1 A 50 50 LEU CB C 45 41.846 41.896 -0.050 1
1 610 . 9 1 1 A 50 50 LEU C C 45 177.840 178.782 -0.942 1
1 611 . 9 1 1 A 51 51 LEU N N 46 115.880 118.663 -2.783 1
1 612 . 9 1 1 A 51 51 LEU H H 46 7.642 7.832 -0.190 1
1 613 . 9 1 1 A 51 51 LEU CA C 46 54.693 56.093 -1.400 1
1 614 . 9 1 1 A 51 51 LEU HA H 46 4.265 4.211 0.054 1
1 615 . 9 1 1 A 51 51 LEU CB C 46 42.040 41.765 0.275 1
1 625 . 9 1 1 A 51 51 LEU C C 46 176.015 177.281 -1.266 1
1 626 . 9 1 1 A 52 52 THR N N 47 109.201 112.565 -3.364 1
1 627 . 9 1 1 A 52 52 THR H H 47 7.516 7.480 0.036 1
1 628 . 9 1 1 A 52 52 THR CA C 47 60.834 64.326 -3.492 1
1 629 . 9 1 1 A 52 52 THR HA H 47 4.348 4.346 0.002 1
1 630 . 9 1 1 A 52 52 THR CB C 47 69.704 69.495 0.209 1
1 636 . 9 1 1 A 52 52 THR C C 47 173.733 175.271 -1.538 1
1 637 . 9 1 1 A 53 53 ASP N N 48 122.188 118.819 3.369 1
1 638 . 9 1 1 A 53 53 ASP H H 48 8.280 8.222 0.058 1
1 639 . 9 1 1 A 53 53 ASP CA C 48 54.185 56.273 -2.088 1
1 640 . 9 1 1 A 53 53 ASP HA H 48 4.699 4.533 0.166 1
1 641 . 9 1 1 A 53 53 ASP CB C 48 40.749 40.434 0.315 1
1 645 . 9 1 1 A 53 53 ASP C C 48 176.000 176.717 -0.717 1
1 646 . 9 1 1 A 54 54 GLU N N 49 121.966 118.448 3.518 1
1 647 . 9 1 1 A 54 54 GLU H H 49 8.588 7.815 0.773 1
1 648 . 9 1 1 A 54 54 GLU CA C 49 56.604 55.703 0.901 1
1 649 . 9 1 1 A 54 54 GLU HA H 49 4.229 4.648 -0.419 1
1 650 . 9 1 1 A 54 54 GLU CB C 49 29.642 30.652 -1.010 1
1 656 . 9 1 1 A 54 54 GLU C C 49 176.589 176.677 -0.088 1
1 657 . 9 1 1 A 55 55 GLN N N 50 120.727 119.491 1.236 1
1 658 . 9 1 1 A 55 55 GLN H H 50 8.642 7.806 0.836 1
1 659 . 9 1 1 A 55 55 GLN CA C 50 56.165 57.203 -1.038 1
1 660 . 9 1 1 A 55 55 GLN HA H 50 4.226 4.143 0.083 1
1 661 . 9 1 1 A 55 55 GLN CB C 50 28.555 27.394 1.161 1
1 671 . 9 1 1 A 55 55 GLN C C 50 176.554 176.752 -0.198 1
1 672 . 9 1 1 A 56 56 GLY N N 51 109.357 109.680 -0.323 1
1 673 . 9 1 1 A 56 56 GLY H H 51 8.519 8.359 0.160 1
1 674 . 9 1 1 A 56 56 GLY CA C 51 45.276 46.288 -1.012 1
1 675 . 9 1 1 A 56 56 GLY HA2 H 51 3.951 3.994 -0.043 1
1 676 . 9 1 1 A 56 56 GLY HA3 H 51 3.815 4.000 -0.185 1
1 677 . 9 1 1 A 56 56 GLY C C 51 174.146 174.812 -0.666 1
1 678 . 9 1 1 A 57 57 GLN N N 52 119.207 118.343 0.864 1
1 679 . 9 1 1 A 57 57 GLN H H 52 8.263 7.499 0.764 1
1 680 . 9 1 1 A 57 57 GLN CA C 52 55.650 55.207 0.443 1
1 681 . 9 1 1 A 57 57 GLN HA H 52 4.217 4.689 -0.472 1
1 682 . 9 1 1 A 57 57 GLN CB C 52 28.723 26.841 1.882 1
1 692 . 9 1 1 A 57 57 GLN C C 52 175.872 176.126 -0.254 1
1 693 . 9 1 1 A 58 58 ARG N N 53 120.525 121.306 -0.781 1
1 694 . 9 1 1 A 58 58 ARG H H 53 8.279 8.377 -0.098 1
1 695 . 9 1 1 A 58 58 ARG CA C 53 55.854 55.900 -0.046 1
1 696 . 9 1 1 A 58 58 ARG HA H 53 4.204 4.538 -0.334 1
1 697 . 9 1 1 A 58 58 ARG CB C 53 29.944 31.675 -1.731 1
1 708 . 9 1 1 A 58 58 ARG C C 53 175.819 177.868 -2.049 1
1 709 . 9 1 1 A 59 59 HIS N N 54 118.905 116.650 2.255 1
1 710 . 9 1 1 A 59 59 HIS H H 54 8.397 8.137 0.260 1
1 711 . 9 1 1 A 59 59 HIS CA C 54 55.130 59.277 -4.147 1
1 712 . 9 1 1 A 59 59 HIS HA H 54 4.554 4.624 -0.070 1
1 713 . 9 1 1 A 59 59 HIS CB C 54 28.953 30.695 -1.742 1
1 716 . 9 1 1 A 59 59 HIS C C 54 174.248 175.654 -1.406 1
1 717 . 9 1 1 A 60 60 HIS N N 55 119.527 112.065 7.462 1
1 718 . 9 1 1 A 60 60 HIS H H 55 8.493 7.855 0.638 1
1 719 . 9 1 1 A 60 60 HIS CA C 55 55.589 54.215 1.374 1
1 720 . 9 1 1 A 60 60 HIS HA H 55 4.553 4.351 0.202 1
1 721 . 9 1 1 A 60 60 HIS CB C 55 28.913 31.564 -2.651 1
1 724 . 9 1 1 A 60 60 HIS C C 55 174.759 173.535 1.224 1
1 725 . 9 1 1 A 61 61 GLY N N 56 110.215 108.010 2.205 1
1 726 . 9 1 1 A 61 61 GLY H H 56 8.604 7.667 0.937 1
1 727 . 9 1 1 A 61 61 GLY CA C 56 44.977 45.510 -0.533 1
1 728 . 9 1 1 A 61 61 GLY HA2 H 56 3.958 3.702 0.256 1
1 729 . 9 1 1 A 61 61 GLY HA3 H 56 3.833 3.722 0.111 1
1 730 . 9 1 1 A 61 61 GLY C C 56 173.752 174.478 -0.726 1
1 731 . 9 1 1 A 62 62 TRP N N 57 120.700 118.026 2.674 1
1 732 . 9 1 1 A 62 62 TRP H H 57 8.175 7.446 0.729 1
1 733 . 9 1 1 A 62 62 TRP CA C 57 56.935 58.376 -1.441 1
1 734 . 9 1 1 A 62 62 TRP HA H 57 4.658 4.786 -0.128 1
1 735 . 9 1 1 A 62 62 TRP CB C 57 29.018 31.179 -2.161 1
1 750 . 9 1 1 A 62 62 TRP C C 57 176.442 177.117 -0.675 1
1 751 . 9 1 1 A 63 63 GLY N N 58 110.195 108.317 1.878 1
1 752 . 9 1 1 A 63 63 GLY H H 58 8.452 8.266 0.186 1
1 753 . 9 1 1 A 63 63 GLY CA C 58 45.052 45.535 -0.483 1
1 754 . 9 1 1 A 63 63 GLY HA2 H 58 3.925 4.120 -0.195 1
1 755 . 9 1 1 A 63 63 GLY HA3 H 58 3.833 4.131 -0.298 1
1 756 . 9 1 1 A 63 63 GLY C C 58 173.738 175.089 -1.351 1
1 757 . 9 1 1 A 64 64 ARG N N 59 120.374 119.045 1.329 1
1 758 . 9 1 1 A 64 64 ARG H H 59 8.136 8.549 -0.413 1
1 759 . 9 1 1 A 64 64 ARG CA C 59 55.779 57.471 -1.692 1
1 760 . 9 1 1 A 64 64 ARG HA H 59 4.287 4.136 0.151 1
1 761 . 9 1 1 A 64 64 ARG CB C 59 30.244 28.255 1.989 1
1 772 . 9 1 1 A 64 64 ARG C C 59 176.269 175.373 0.896 1
1 773 . 9 1 1 A 65 65 LYS N N 60 121.590 119.643 1.947 1
1 774 . 9 1 1 A 65 65 LYS H H 60 8.483 8.048 0.435 1
1 775 . 9 1 1 A 65 65 LYS CA C 60 56.435 56.019 0.416 1
1 776 . 9 1 1 A 65 65 LYS HA H 60 4.226 4.494 -0.268 1
1 777 . 9 1 1 A 65 65 LYS CB C 60 32.259 33.279 -1.020 1
1 783 . 9 1 1 A 65 65 LYS C C 60 176.075 175.822 0.253 1
1 784 . 9 1 1 A 66 66 ASN N N 61 118.654 119.489 -0.835 1
1 785 . 9 1 1 A 66 66 ASN H H 61 8.413 8.148 0.265 1
1 786 . 9 1 1 A 66 66 ASN CA C 61 53.042 52.772 0.270 1
1 787 . 9 1 1 A 66 66 ASN HA H 61 4.651 4.671 -0.020 1
1 788 . 9 1 1 A 66 66 ASN CB C 61 38.348 38.274 0.074 1
1 795 . 9 1 1 A 66 66 ASN C C 61 174.530 175.225 -0.695 1
1 796 . 9 1 1 A 67 67 SER N N 62 115.494 111.524 3.970 1
1 797 . 9 1 1 A 67 67 SER H H 62 8.289 8.204 0.085 1
1 798 . 9 1 1 A 67 67 SER CA C 62 58.090 59.595 -1.505 1
1 799 . 9 1 1 A 67 67 SER HA H 62 4.294 4.268 0.026 1
1 800 . 9 1 1 A 67 67 SER CB C 62 63.205 61.128 2.077 1
1 803 . 9 1 1 A 67 67 SER C C 62 173.894 173.867 0.027 1
1 804 . 9 1 1 A 68 68 LEU N N 63 123.552 115.708 7.844 1
1 805 . 9 1 1 A 68 68 LEU H H 63 8.063 7.419 0.644 1
1 806 . 9 1 1 A 68 68 LEU CA C 63 54.124 53.958 0.166 1
1 807 . 9 1 1 A 68 68 LEU HA H 63 4.495 4.601 -0.106 1
1 808 . 9 1 1 A 68 68 LEU CB C 63 42.447 42.481 -0.034 1
1 821 . 9 1 1 A 68 68 LEU C C 63 176.587 175.922 0.665 1
1 822 . 9 1 1 A 69 69 THR N N 64 112.637 109.604 3.033 1
1 823 . 9 1 1 A 69 69 THR H H 64 7.797 7.450 0.347 1
1 824 . 9 1 1 A 69 69 THR CA C 64 60.021 59.783 0.238 1
1 825 . 9 1 1 A 69 69 THR HA H 64 4.490 4.609 -0.119 1
1 826 . 9 1 1 A 69 69 THR CB C 64 70.896 72.284 -1.388 1
1 832 . 9 1 1 A 69 69 THR C C 64 174.998 174.670 0.328 1
1 833 . 9 1 1 A 70 70 LYS N N 65 120.128 121.594 -1.466 1
1 834 . 9 1 1 A 70 70 LYS H H 65 9.059 9.277 -0.218 1
1 835 . 9 1 1 A 70 70 LYS CA C 65 59.374 59.984 -0.610 1
1 836 . 9 1 1 A 70 70 LYS HA H 65 3.941 3.896 0.045 1
1 837 . 9 1 1 A 70 70 LYS CB C 65 31.830 31.937 -0.107 1
1 843 . 9 1 1 A 70 70 LYS C C 65 177.539 178.618 -1.079 1
1 844 . 9 1 1 A 71 71 GLU N N 66 117.667 120.404 -2.737 1
1 845 . 9 1 1 A 71 71 GLU H H 66 8.699 8.562 0.137 1
1 846 . 9 1 1 A 71 71 GLU CA C 66 60.307 59.185 1.122 1
1 847 . 9 1 1 A 71 71 GLU HA H 66 3.812 4.005 -0.193 1
1 848 . 9 1 1 A 71 71 GLU CB C 66 27.903 29.750 -1.847 1
1 855 . 9 1 1 A 71 71 GLU C C 66 178.499 179.067 -0.568 1
1 856 . 9 1 1 A 72 72 ALA N N 67 123.914 122.391 1.523 1
1 857 . 9 1 1 A 72 72 ALA H H 67 7.991 7.420 0.571 1
1 858 . 9 1 1 A 72 72 ALA CA C 67 54.601 54.870 -0.269 1
1 859 . 9 1 1 A 72 72 ALA HA H 67 4.116 4.064 0.052 1
1 863 . 9 1 1 A 72 72 ALA CB C 67 18.288 18.598 -0.310 1
1 864 . 9 1 1 A 72 72 ALA C C 67 178.721 179.470 -0.749 1
1 865 . 9 1 1 A 73 73 VAL N N 68 119.435 118.168 1.267 1
1 866 . 9 1 1 A 73 73 VAL H H 68 8.045 8.007 0.038 1
1 867 . 9 1 1 A 73 73 VAL CA C 68 66.211 66.540 -0.329 1
1 868 . 9 1 1 A 73 73 VAL HA H 68 3.470 3.510 -0.040 1
1 869 . 9 1 1 A 73 73 VAL CB C 68 31.103 31.563 -0.460 1
1 879 . 9 1 1 A 73 73 VAL C C 68 177.001 178.615 -1.614 1
1 880 . 9 1 1 A 74 74 ALA N N 69 120.667 121.462 -0.795 1
1 881 . 9 1 1 A 74 74 ALA H H 69 8.407 8.101 0.306 1
1 882 . 9 1 1 A 74 74 ALA CA C 69 54.687 55.023 -0.336 1
1 883 . 9 1 1 A 74 74 ALA HA H 69 3.981 4.019 -0.038 1
1 887 . 9 1 1 A 74 74 ALA CB C 69 18.048 17.938 0.110 1
1 888 . 9 1 1 A 74 74 ALA C C 69 178.865 179.503 -0.638 1
1 889 . 9 1 1 A 75 75 LYS N N 70 118.628 118.102 0.526 1
1 890 . 9 1 1 A 75 75 LYS H H 70 7.930 7.980 -0.050 1
1 891 . 9 1 1 A 75 75 LYS CA C 70 58.914 60.105 -1.191 1
1 892 . 9 1 1 A 75 75 LYS HA H 70 4.105 3.922 0.183 1
1 893 . 9 1 1 A 75 75 LYS CB C 70 31.806 32.225 -0.419 1
1 903 . 9 1 1 A 75 75 LYS C C 70 177.409 179.257 -1.848 1
1 904 . 9 1 1 A 76 76 ILE N N 71 120.231 119.731 0.500 1
1 905 . 9 1 1 A 76 76 ILE H H 71 7.478 7.725 -0.247 1
1 906 . 9 1 1 A 76 76 ILE CA C 71 64.835 64.748 0.087 1
1 907 . 9 1 1 A 76 76 ILE HA H 71 3.973 3.800 0.173 1
1 908 . 9 1 1 A 76 76 ILE CB C 71 37.788 36.547 1.241 1
1 921 . 9 1 1 A 76 76 ILE C C 71 179.734 178.303 1.431 1
1 922 . 9 1 1 A 77 77 VAL N N 72 122.505 120.676 1.829 1
1 923 . 9 1 1 A 77 77 VAL H H 72 8.325 7.831 0.494 1
1 924 . 9 1 1 A 77 77 VAL CA C 72 67.425 66.652 0.773 1
1 925 . 9 1 1 A 77 77 VAL HA H 72 3.581 3.307 0.274 1
1 926 . 9 1 1 A 77 77 VAL CB C 72 30.885 31.115 -0.230 1
1 936 . 9 1 1 A 77 77 VAL C C 72 176.939 177.824 -0.885 1
1 937 . 9 1 1 A 78 78 ASP N N 73 120.524 120.329 0.195 1
1 938 . 9 1 1 A 78 78 ASP H H 73 8.798 8.108 0.690 1
1 939 . 9 1 1 A 78 78 ASP CA C 73 58.163 57.405 0.758 1
1 940 . 9 1 1 A 78 78 ASP HA H 73 4.392 4.426 -0.034 1
1 941 . 9 1 1 A 78 78 ASP CB C 73 41.459 40.719 0.740 1
1 945 . 9 1 1 A 78 78 ASP C C 73 178.122 178.361 -0.239 1
1 946 . 9 1 1 A 79 79 ASP N N 74 119.762 118.999 0.763 1
1 947 . 9 1 1 A 79 79 ASP H H 74 9.318 8.090 1.228 1
1 948 . 9 1 1 A 79 79 ASP CA C 74 57.122 57.379 -0.257 1
1 949 . 9 1 1 A 79 79 ASP HA H 74 4.405 4.365 0.040 1
1 950 . 9 1 1 A 79 79 ASP CB C 74 39.850 41.007 -1.157 1
1 954 . 9 1 1 A 79 79 ASP C C 74 178.921 178.745 0.176 1
1 955 . 9 1 1 A 80 80 THR N N 75 117.347 117.135 0.212 1
1 956 . 9 1 1 A 80 80 THR H H 75 8.084 8.647 -0.563 1
1 957 . 9 1 1 A 80 80 THR CA C 75 67.055 67.039 0.016 1
1 958 . 9 1 1 A 80 80 THR HA H 75 3.846 4.150 -0.304 1
1 959 . 9 1 1 A 80 80 THR CB C 75 67.692 68.795 -1.103 1
1 965 . 9 1 1 A 80 80 THR C C 75 175.367 176.139 -0.772 1
1 966 . 9 1 1 A 81 81 TYR N N 76 123.735 122.054 1.681 1
1 967 . 9 1 1 A 81 81 TYR H H 76 8.830 8.180 0.650 1
1 968 . 9 1 1 A 81 81 TYR CA C 76 61.712 61.957 -0.245 1
1 969 . 9 1 1 A 81 81 TYR HA H 76 4.269 4.473 -0.204 1
1 970 . 9 1 1 A 81 81 TYR CB C 76 38.639 38.704 -0.065 1
1 974 . 9 1 1 A 81 81 TYR C C 76 176.700 177.429 -0.729 1
1 975 . 9 1 1 A 82 82 ARG N N 77 118.508 120.362 -1.854 1
1 976 . 9 1 1 A 82 82 ARG H H 77 8.755 8.957 -0.202 1
1 977 . 9 1 1 A 82 82 ARG CA C 77 58.776 58.746 0.030 1
1 978 . 9 1 1 A 82 82 ARG HA H 77 3.892 3.877 0.015 1
1 979 . 9 1 1 A 82 82 ARG CB C 77 29.459 30.197 -0.738 1
1 995 . 9 1 1 A 82 82 ARG C C 77 178.748 178.357 0.391 1
1 996 . 9 1 1 A 83 83 LYS N N 78 118.075 119.826 -1.751 1
1 997 . 9 1 1 A 83 83 LYS H H 78 7.696 7.764 -0.068 1
1 998 . 9 1 1 A 83 83 LYS CA C 78 58.614 59.068 -0.454 1
1 999 . 9 1 1 A 83 83 LYS HA H 78 4.031 4.137 -0.106 1
1 1000 . 9 1 1 A 83 83 LYS CB C 78 32.055 31.736 0.319 1
1 1005 . 9 1 1 A 83 83 LYS C C 78 177.890 179.434 -1.544 1
1 1006 . 9 1 1 A 84 84 MET N N 79 118.233 118.918 -0.685 1
1 1007 . 9 1 1 A 84 84 MET H H 79 7.748 8.094 -0.346 1
1 1008 . 9 1 1 A 84 84 MET CA C 79 57.254 58.539 -1.285 1
1 1009 . 9 1 1 A 84 84 MET HA H 79 4.189 4.125 0.064 1
1 1010 . 9 1 1 A 84 84 MET CB C 79 32.169 33.445 -1.276 1
1 1020 . 9 1 1 A 84 84 MET C C 79 177.036 177.114 -0.078 1
1 1021 . 9 1 1 A 85 85 GLN N N 80 117.242 115.589 1.653 1
1 1022 . 9 1 1 A 85 85 GLN H H 80 7.843 7.650 0.193 1
1 1023 . 9 1 1 A 85 85 GLN CA C 80 56.500 54.755 1.745 1
1 1024 . 9 1 1 A 85 85 GLN HA H 80 3.993 4.570 -0.577 1
1 1025 . 9 1 1 A 85 85 GLN CB C 80 28.124 29.881 -1.757 1
1 1035 . 9 1 1 A 85 85 GLN C C 80 176.756 175.109 1.647 1
1 1036 . 9 1 1 A 86 86 ILE N N 81 119.178 116.311 2.867 1
1 1037 . 9 1 1 A 86 86 ILE H H 81 7.715 7.854 -0.139 1
1 1038 . 9 1 1 A 86 86 ILE CA C 81 61.995 61.891 0.104 1
1 1039 . 9 1 1 A 86 86 ILE HA H 81 3.948 3.655 0.293 1
1 1040 . 9 1 1 A 86 86 ILE CB C 81 37.856 36.734 1.122 1
1 1052 . 9 1 1 A 86 86 ILE C C 81 176.728 175.847 0.881 1
1 1053 . 9 1 1 A 87 87 GLN N N 82 121.380 127.148 -5.768 1
1 1054 . 9 1 1 A 87 87 GLN H H 82 8.164 7.933 0.231 1
1 1055 . 9 1 1 A 87 87 GLN CA C 82 56.075 58.239 -2.164 1
1 1056 . 9 1 1 A 87 87 GLN HA H 82 4.227 3.973 0.254 1
1 1057 . 9 1 1 A 87 87 GLN CB C 82 28.735 29.161 -0.426 1
1 1066 . 9 1 1 A 87 87 GLN C C 82 175.836 175.999 -0.163 1
1 1067 . 9 1 1 A 88 88 CYS N N 83 118.668 117.350 1.318 1
1 1068 . 9 1 1 A 88 88 CYS H H 83 8.238 7.691 0.547 1
1 1069 . 9 1 1 A 88 88 CYS CA C 83 58.012 58.263 -0.251 1
1 1070 . 9 1 1 A 88 88 CYS HA H 83 4.475 4.649 -0.174 1
1 1071 . 9 1 1 A 88 88 CYS CB C 83 27.697 28.316 -0.619 1
1 1074 . 9 1 1 A 88 88 CYS C C 83 173.428 174.134 -0.706 1
1 1075 . 9 1 1 A 89 89 ALA N N 84 127.014 119.548 7.466 1
1 1076 . 9 1 1 A 89 89 ALA H H 84 8.249 8.095 0.154 1
1 1077 . 9 1 1 A 89 89 ALA CA C 84 50.615 52.768 -2.153 1
1 1078 . 9 1 1 A 89 89 ALA HA H 84 4.562 4.008 0.554 1
1 1082 . 9 1 1 A 89 89 ALA CB C 84 17.465 17.337 0.128 1
1 1083 . 9 1 1 A 89 89 ALA C C 84 175.125 178.077 -2.952 1
1 1085 . 9 1 1 A 90 90 PRO CA C 85 63.085 63.517 -0.432 1
1 1086 . 9 1 1 A 90 90 PRO HA H 85 4.386 4.413 -0.027 1
1 1087 . 9 1 1 A 90 90 PRO CB C 85 31.491 32.167 -0.676 1
1 1095 . 9 1 1 A 90 90 PRO C C 85 176.381 177.062 -0.681 1
1 1096 . 9 1 1 A 91 91 ASP N N 86 119.209 118.746 0.463 1
1 1097 . 9 1 1 A 91 91 ASP H H 86 8.429 8.122 0.307 1
1 1098 . 9 1 1 A 91 91 ASP CA C 86 53.752 54.772 -1.020 1
1 1099 . 9 1 1 A 91 91 ASP HA H 86 4.394 4.332 0.062 1
1 1100 . 9 1 1 A 91 91 ASP CB C 86 40.319 39.068 1.251 1
1 1103 . 9 1 1 A 91 91 ASP C C 86 176.101 176.848 -0.747 1
1 1104 . 9 1 1 A 92 92 LEU N N 87 122.571 121.380 1.191 1
1 1105 . 9 1 1 A 92 92 LEU H H 87 8.208 8.038 0.170 1
1 1106 . 9 1 1 A 92 92 LEU CA C 87 55.327 57.341 -2.014 1
1 1107 . 9 1 1 A 92 92 LEU HA H 87 4.205 3.964 0.241 1
1 1108 . 9 1 1 A 92 92 LEU CB C 87 41.636 42.240 -0.604 1
1 1121 . 9 1 1 A 92 92 LEU C C 87 177.406 176.801 0.605 1
1 1122 . 9 1 1 A 93 93 ALA N N 88 123.131 119.957 3.174 1
1 1123 . 9 1 1 A 93 93 ALA H H 88 8.305 7.871 0.434 1
1 1124 . 9 1 1 A 93 93 ALA CA C 88 52.823 52.908 -0.085 1
1 1125 . 9 1 1 A 93 93 ALA HA H 88 4.245 4.032 0.213 1
1 1129 . 9 1 1 A 93 93 ALA CB C 88 18.496 16.989 1.507 1
1 1130 . 9 1 1 A 93 93 ALA C C 88 178.033 177.039 0.994 1
1 1131 . 9 1 1 A 94 94 THR N N 89 112.097 111.599 0.498 1
1 1132 . 9 1 1 A 94 94 THR H H 89 7.994 7.728 0.266 1
1 1133 . 9 1 1 A 94 94 THR CA C 89 61.892 66.845 -4.953 1
1 1134 . 9 1 1 A 94 94 THR HA H 89 4.247 3.855 0.392 1
1 1135 . 9 1 1 A 94 94 THR CB C 89 69.076 68.652 0.424 1
1 1141 . 9 1 1 A 94 94 THR C C 89 174.478 175.690 -1.212 1
1 1142 . 9 1 1 A 95 95 ARG N N 90 122.704 118.071 4.633 1
1 1143 . 9 1 1 A 95 95 ARG H H 90 8.211 7.997 0.214 1
1 1144 . 9 1 1 A 95 95 ARG CA C 90 55.803 55.239 0.564 1
1 1145 . 9 1 1 A 95 95 ARG HA H 90 4.336 4.474 -0.138 1
1 1146 . 9 1 1 A 95 95 ARG CB C 90 30.263 31.282 -1.019 1
1 1157 . 9 1 1 A 95 95 ARG C C 90 175.958 175.512 0.446 1
1 1158 . 9 1 1 A 96 96 SER N N 91 116.390 117.848 -1.458 1
1 1159 . 9 1 1 A 96 96 SER H H 91 8.365 7.912 0.453 1
1 1160 . 9 1 1 A 96 96 SER CA C 91 58.011 57.087 0.924 1
1 1161 . 9 1 1 A 96 96 SER HA H 91 4.383 4.693 -0.310 1
1 1162 . 9 1 1 A 96 96 SER CB C 91 63.261 62.067 1.194 1
1 1165 . 9 1 1 A 96 96 SER C C 91 174.016 174.865 -0.849 1
1 1166 . 9 1 1 A 97 97 HIS N N 92 120.507 120.347 0.160 1
1 1167 . 9 1 1 A 97 97 HIS H H 92 8.541 8.192 0.349 1
1 1168 . 9 1 1 A 97 97 HIS CA C 92 55.068 54.925 0.143 1
1 1169 . 9 1 1 A 97 97 HIS HA H 92 4.707 4.951 -0.244 1
1 1170 . 9 1 1 A 97 97 HIS CB C 92 28.839 30.862 -2.023 1
1 1173 . 9 1 1 A 97 97 HIS C C 92 174.186 174.134 0.052 1
1 1174 . 9 1 1 A 98 98 SER N N 93 116.801 111.471 5.330 1
1 1175 . 9 1 1 A 98 98 SER H H 93 8.455 7.501 0.954 1
1 1176 . 9 1 1 A 98 98 SER CA C 93 58.046 57.008 1.038 1
1 1177 . 9 1 1 A 98 98 SER HA H 93 4.450 4.468 -0.018 1
1 1178 . 9 1 1 A 98 98 SER CB C 93 63.434 64.800 -1.366 1
1 1181 . 9 1 1 A 98 98 SER C C 93 174.553 174.133 0.420 1
1 1182 . 9 1 1 A 99 99 GLY N N 94 111.114 108.668 2.446 1
1 1183 . 9 1 1 A 99 99 GLY H H 94 8.597 8.599 -0.002 1
1 1184 . 9 1 1 A 99 99 GLY CA C 94 44.888 44.708 0.180 1
1 1185 . 9 1 1 A 99 99 GLY HA2 H 94 3.998 4.127 -0.129 1
1 1186 . 9 1 1 A 99 99 GLY HA3 H 94 3.998 4.142 -0.144 1
1 1187 . 9 1 1 A 99 99 GLY C C 94 173.856 174.045 -0.189 1
1 1188 . 9 1 1 A 100 100 SER N N 95 115.398 115.986 -0.588 1
1 1189 . 9 1 1 A 100 100 SER H H 95 8.311 8.263 0.048 1
1 1190 . 9 1 1 A 100 100 SER CA C 95 57.909 57.562 0.347 1
1 1191 . 9 1 1 A 100 100 SER HA H 95 4.422 4.831 -0.409 1
1 1192 . 9 1 1 A 100 100 SER CB C 95 63.377 64.061 -0.684 1
1 1195 . 9 1 1 A 100 100 SER C C 95 173.695 174.586 -0.891 1
1 1196 . 9 1 1 A 101 101 ASP N N 96 121.810 120.485 1.325 1
1 1197 . 9 1 1 A 101 101 ASP H H 96 8.380 8.157 0.223 1
1 1198 . 9 1 1 A 101 101 ASP CA C 96 53.797 54.322 -0.525 1
1 1199 . 9 1 1 A 101 101 ASP HA H 96 4.546 4.914 -0.368 1
1 1200 . 9 1 1 A 101 101 ASP CB C 96 40.440 42.135 -1.695 1
1 1203 . 9 1 1 A 101 101 ASP C C 96 175.547 176.546 -0.999 1
1 1204 . 9 1 1 A 102 102 PHE N N 97 120.706 117.364 3.342 1
1 1205 . 9 1 1 A 102 102 PHE H H 97 8.249 8.075 0.174 1
1 1206 . 9 1 1 A 102 102 PHE CA C 97 57.444 57.919 -0.475 1
1 1207 . 9 1 1 A 102 102 PHE HA H 97 4.546 4.583 -0.037 1
1 1208 . 9 1 1 A 102 102 PHE CB C 97 38.772 39.107 -0.335 1
1 1214 . 9 1 1 A 102 102 PHE C C 97 175.312 175.836 -0.524 1
1 1215 . 9 1 1 A 103 103 SER N N 98 116.992 114.709 2.283 1
1 1216 . 9 1 1 A 103 103 SER H H 98 8.167 7.926 0.241 1
1 1217 . 9 1 1 A 103 103 SER CA C 98 57.983 57.829 0.154 1
1 1218 . 9 1 1 A 103 103 SER HA H 98 4.314 4.745 -0.431 1
1 1219 . 9 1 1 A 103 103 SER CB C 98 63.384 63.599 -0.215 1
1 1222 . 9 1 1 A 103 103 SER C C 98 173.286 173.090 0.196 1
1 1223 . 9 1 1 A 104 104 PHE N N 99 122.000 125.413 -3.413 1
1 1224 . 9 1 1 A 104 104 PHE H H 99 8.170 8.873 -0.703 1
1 1225 . 9 1 1 A 104 104 PHE CA C 99 57.354 56.189 1.165 1
1 1226 . 9 1 1 A 104 104 PHE HA H 99 4.545 4.613 -0.068 1
1 1227 . 9 1 1 A 104 104 PHE CB C 99 39.045 37.309 1.736 1
1 1233 . 9 1 1 A 104 104 PHE C C 99 174.621 174.226 0.395 1
1 1234 . 9 1 1 A 105 105 ARG N N 100 124.796 125.250 -0.454 1
1 1235 . 9 1 1 A 105 105 ARG H H 100 8.101 8.100 0.001 1
1 1236 . 9 1 1 A 105 105 ARG CA C 100 52.919 54.493 -1.574 1
1 1237 . 9 1 1 A 105 105 ARG HA H 100 4.542 4.149 0.393 1
1 1238 . 9 1 1 A 105 105 ARG CB C 100 29.973 30.599 -0.626 1
1 1247 . 9 1 1 A 105 105 ARG C C 100 172.924 174.804 -1.880 1
1 1249 . 9 1 1 A 106 106 PRO CA C 101 62.366 62.613 -0.247 1
1 1250 . 9 1 1 A 106 106 PRO HA H 101 4.349 4.492 -0.143 1
1 1251 . 9 1 1 A 106 106 PRO CB C 101 31.609 30.516 1.093 1
1 1259 . 9 1 1 A 106 106 PRO C C 101 176.395 175.948 0.447 1
1 1260 . 9 1 1 A 107 107 ILE N N 102 121.380 123.944 -2.564 1
1 1261 . 9 1 1 A 107 107 ILE H H 102 8.350 8.095 0.255 1
1 1262 . 9 1 1 A 107 107 ILE CA C 102 60.925 60.293 0.632 1
1 1263 . 9 1 1 A 107 107 ILE HA H 102 4.050 4.534 -0.484 1
1 1264 . 9 1 1 A 107 107 ILE CB C 102 38.165 39.206 -1.041 1
1 1277 . 9 1 1 A 107 107 ILE C C 102 175.990 176.348 -0.358 1
1 1278 . 9 1 1 A 108 108 GLU N N 103 124.836 122.855 1.981 1
1 1279 . 9 1 1 A 108 108 GLU H H 103 8.578 8.094 0.484 1
1 1280 . 9 1 1 A 108 108 GLU CA C 103 55.915 59.455 -3.540 1
1 1281 . 9 1 1 A 108 108 GLU HA H 103 4.279 3.994 0.285 1
1 1282 . 9 1 1 A 108 108 GLU CB C 103 29.902 29.384 0.518 1
1 1288 . 9 1 1 A 108 108 GLU C C 103 175.678 177.924 -2.246 1
1 1289 . 9 1 1 A 109 109 GLU N N 104 122.847 119.147 3.700 1
1 1290 . 9 1 1 A 109 109 GLU H H 104 8.459 7.708 0.751 1
1 1291 . 9 1 1 A 109 109 GLU CA C 104 55.845 55.907 -0.062 1
1 1292 . 9 1 1 A 109 109 GLU HA H 104 4.273 4.329 -0.056 1
1 1293 . 9 1 1 A 109 109 GLU CB C 104 29.990 28.653 1.337 1
1 1299 . 9 1 1 A 109 109 GLU C C 104 174.661 175.239 -0.578 1
1 3 . 10 1 1 A 2 2 SER N N -4 115.528 117.597 -2.069 1
1 4 . 10 1 1 A 2 2 SER H H -4 8.751 7.979 0.772 1
1 5 . 10 1 1 A 2 2 SER CA C -4 57.819 60.302 -2.483 1
1 6 . 10 1 1 A 2 2 SER HA H -4 4.461 4.403 0.058 1
1 7 . 10 1 1 A 2 2 SER CB C -4 63.389 63.853 -0.464 1
1 8 . 10 1 1 A 2 2 SER C C -4 173.924 174.725 -0.801 1
1 9 . 10 1 1 A 3 3 HIS N N -3 120.998 114.130 6.868 1
1 10 . 10 1 1 A 3 3 HIS H H -3 8.769 7.673 1.096 1
1 11 . 10 1 1 A 3 3 HIS CA C -3 55.238 55.070 0.168 1
1 12 . 10 1 1 A 3 3 HIS HA H -3 4.703 4.812 -0.109 1
1 13 . 10 1 1 A 3 3 HIS CB C -3 28.916 29.559 -0.643 1
1 16 . 10 1 1 A 3 3 HIS C C -3 174.207 174.206 0.001 1
1 17 . 10 1 1 A 4 4 MET N N -2 122.227 118.865 3.362 1
1 18 . 10 1 1 A 4 4 MET H H -2 8.518 7.807 0.711 1
1 19 . 10 1 1 A 4 4 MET CA C -2 55.003 55.106 -0.103 1
1 20 . 10 1 1 A 4 4 MET HA H -2 4.420 4.893 -0.473 1
1 21 . 10 1 1 A 4 4 MET CB C -2 32.578 33.871 -1.293 1
1 31 . 10 1 1 A 4 4 MET C C -2 175.475 174.646 0.829 1
1 49 . 10 1 1 A 7 7 ALA N N 2 124.543 122.787 1.756 1
1 50 . 10 1 1 A 7 7 ALA H H 2 8.453 8.060 0.393 1
1 51 . 10 1 1 A 7 7 ALA CA C 2 53.203 54.312 -1.109 1
1 52 . 10 1 1 A 7 7 ALA HA H 2 4.211 4.093 0.118 1
1 56 . 10 1 1 A 7 7 ALA CB C 2 18.387 18.243 0.144 1
1 57 . 10 1 1 A 7 7 ALA C C 2 178.091 179.188 -1.097 1
1 58 . 10 1 1 A 8 8 ASP N N 3 118.618 118.723 -0.105 1
1 59 . 10 1 1 A 8 8 ASP H H 3 8.064 7.746 0.318 1
1 60 . 10 1 1 A 8 8 ASP CA C 3 54.381 56.763 -2.382 1
1 61 . 10 1 1 A 8 8 ASP HA H 3 4.551 4.328 0.223 1
1 62 . 10 1 1 A 8 8 ASP CB C 3 40.446 40.980 -0.534 1
1 65 . 10 1 1 A 8 8 ASP C C 3 176.662 178.197 -1.535 1
1 66 . 10 1 1 A 9 9 LEU N N 4 123.427 120.369 3.058 1
1 67 . 10 1 1 A 9 9 LEU H H 4 8.202 7.933 0.269 1
1 68 . 10 1 1 A 9 9 LEU CA C 4 57.491 57.864 -0.373 1
1 69 . 10 1 1 A 9 9 LEU HA H 4 4.084 4.009 0.075 1
1 70 . 10 1 1 A 9 9 LEU CB C 4 41.745 41.612 0.133 1
1 80 . 10 1 1 A 9 9 LEU C C 4 178.873 178.696 0.177 1
1 81 . 10 1 1 A 10 10 VAL N N 5 119.385 119.186 0.199 1
1 82 . 10 1 1 A 10 10 VAL H H 5 8.186 8.357 -0.171 1
1 83 . 10 1 1 A 10 10 VAL CA C 5 66.686 66.738 -0.052 1
1 84 . 10 1 1 A 10 10 VAL HA H 5 3.435 3.513 -0.078 1
1 85 . 10 1 1 A 10 10 VAL CB C 5 31.135 31.530 -0.395 1
1 95 . 10 1 1 A 10 10 VAL C C 5 177.408 178.226 -0.818 1
1 96 . 10 1 1 A 11 11 SER N N 6 115.027 115.528 -0.501 1
1 97 . 10 1 1 A 11 11 SER H H 6 8.252 8.080 0.172 1
1 98 . 10 1 1 A 11 11 SER CA C 6 61.229 61.606 -0.377 1
1 99 . 10 1 1 A 11 11 SER HA H 6 4.068 4.057 0.011 1
1 100 . 10 1 1 A 11 11 SER CB C 6 62.054 62.908 -0.854 1
1 103 . 10 1 1 A 11 11 SER C C 6 176.036 177.333 -1.297 1
1 104 . 10 1 1 A 12 12 SER N N 7 115.144 116.570 -1.426 1
1 105 . 10 1 1 A 12 12 SER H H 7 8.053 8.096 -0.043 1
1 106 . 10 1 1 A 12 12 SER CA C 7 60.212 61.567 -1.355 1
1 107 . 10 1 1 A 12 12 SER HA H 7 4.309 4.120 0.189 1
1 108 . 10 1 1 A 12 12 SER CB C 7 62.720 63.046 -0.326 1
1 111 . 10 1 1 A 12 12 SER C C 7 176.540 176.529 0.011 1
1 112 . 10 1 1 A 13 13 CYS N N 8 118.211 119.203 -0.992 1
1 113 . 10 1 1 A 13 13 CYS H H 8 7.919 8.677 -0.758 1
1 114 . 10 1 1 A 13 13 CYS CA C 8 63.729 63.992 -0.263 1
1 115 . 10 1 1 A 13 13 CYS HA H 8 4.046 4.162 -0.116 1
1 116 . 10 1 1 A 13 13 CYS CB C 8 26.703 27.039 -0.336 1
1 119 . 10 1 1 A 13 13 CYS C C 8 175.645 177.103 -1.458 1
1 120 . 10 1 1 A 14 14 LYS N N 9 120.074 121.556 -1.482 1
1 121 . 10 1 1 A 14 14 LYS H H 9 8.632 8.171 0.461 1
1 122 . 10 1 1 A 14 14 LYS CA C 9 60.438 59.649 0.789 1
1 123 . 10 1 1 A 14 14 LYS HA H 9 3.668 4.037 -0.369 1
1 124 . 10 1 1 A 14 14 LYS CB C 9 31.655 32.049 -0.394 1
1 136 . 10 1 1 A 14 14 LYS C C 9 177.590 178.051 -0.461 1
1 137 . 10 1 1 A 15 15 ASP N N 10 117.611 119.558 -1.947 1
1 138 . 10 1 1 A 15 15 ASP H H 10 7.732 8.165 -0.433 1
1 139 . 10 1 1 A 15 15 ASP CA C 10 56.325 57.582 -1.257 1
1 140 . 10 1 1 A 15 15 ASP HA H 10 4.320 4.294 0.026 1
1 141 . 10 1 1 A 15 15 ASP CB C 10 40.092 41.679 -1.587 1
1 144 . 10 1 1 A 15 15 ASP C C 10 177.731 178.779 -1.048 1
1 145 . 10 1 1 A 16 16 LYS N N 11 117.878 118.462 -0.584 1
1 146 . 10 1 1 A 16 16 LYS H H 11 7.254 7.840 -0.586 1
1 147 . 10 1 1 A 16 16 LYS CA C 11 58.984 59.455 -0.471 1
1 148 . 10 1 1 A 16 16 LYS HA H 11 3.662 4.145 -0.483 1
1 149 . 10 1 1 A 16 16 LYS CB C 11 32.933 32.447 0.486 1
1 158 . 10 1 1 A 16 16 LYS C C 11 177.350 178.853 -1.503 1
1 159 . 10 1 1 A 17 17 LEU N N 12 115.652 121.978 -6.326 1
1 160 . 10 1 1 A 17 17 LEU H H 12 8.138 8.479 -0.341 1
1 161 . 10 1 1 A 17 17 LEU CA C 12 56.722 58.055 -1.333 1
1 162 . 10 1 1 A 17 17 LEU HA H 12 3.588 4.228 -0.640 1
1 163 . 10 1 1 A 17 17 LEU CB C 12 41.870 41.202 0.668 1
1 174 . 10 1 1 A 17 17 LEU C C 12 177.545 178.622 -1.077 1
1 175 . 10 1 1 A 18 18 ALA N N 13 116.045 121.049 -5.004 1
1 176 . 10 1 1 A 18 18 ALA H H 13 7.080 8.575 -1.495 1
1 177 . 10 1 1 A 18 18 ALA CA C 13 53.475 54.978 -1.503 1
1 178 . 10 1 1 A 18 18 ALA HA H 13 3.984 4.128 -0.144 1
1 182 . 10 1 1 A 18 18 ALA CB C 13 18.121 18.481 -0.360 1
1 183 . 10 1 1 A 18 18 ALA C C 13 178.298 179.495 -1.197 1
1 184 . 10 1 1 A 19 19 TYR N N 14 115.556 119.543 -3.987 1
1 185 . 10 1 1 A 19 19 TYR H H 14 7.675 7.824 -0.149 1
1 186 . 10 1 1 A 19 19 TYR CA C 14 58.741 59.834 -1.093 1
1 187 . 10 1 1 A 19 19 TYR HA H 14 4.323 4.189 0.134 1
1 188 . 10 1 1 A 19 19 TYR CB C 14 38.610 39.046 -0.436 1
1 193 . 10 1 1 A 19 19 TYR C C 14 176.007 175.867 0.140 1
1 194 . 10 1 1 A 20 20 PHE N N 15 118.275 119.487 -1.212 1
1 195 . 10 1 1 A 20 20 PHE H H 15 7.406 7.867 -0.461 1
1 196 . 10 1 1 A 20 20 PHE CA C 15 56.542 56.946 -0.404 1
1 197 . 10 1 1 A 20 20 PHE HA H 15 4.652 4.821 -0.169 1
1 198 . 10 1 1 A 20 20 PHE CB C 15 38.561 40.497 -1.936 1
1 202 . 10 1 1 A 20 20 PHE C C 15 176.160 175.483 0.677 1
1 203 . 10 1 1 A 21 21 ARG N N 16 119.140 122.703 -3.563 1
1 204 . 10 1 1 A 21 21 ARG H H 16 8.714 8.614 0.100 1
1 205 . 10 1 1 A 21 21 ARG CA C 16 54.474 56.765 -2.291 1
1 206 . 10 1 1 A 21 21 ARG HA H 16 4.747 4.294 0.453 1
1 207 . 10 1 1 A 21 21 ARG CB C 16 30.097 31.262 -1.165 1
1 223 . 10 1 1 A 21 21 ARG C C 16 177.095 177.726 -0.631 1
1 224 . 10 1 1 A 22 22 ILE N N 17 120.734 122.103 -1.369 1
1 225 . 10 1 1 A 22 22 ILE H H 17 8.708 8.808 -0.100 1
1 226 . 10 1 1 A 22 22 ILE CA C 17 65.114 64.741 0.373 1
1 227 . 10 1 1 A 22 22 ILE HA H 17 3.740 3.725 0.015 1
1 228 . 10 1 1 A 22 22 ILE CB C 17 36.768 37.702 -0.934 1
1 241 . 10 1 1 A 22 22 ILE C C 17 176.639 177.894 -1.255 1
1 242 . 10 1 1 A 23 23 LYS N N 18 118.184 121.783 -3.599 1
1 243 . 10 1 1 A 23 23 LYS H H 18 8.267 8.218 0.049 1
1 244 . 10 1 1 A 23 23 LYS CA C 18 59.978 59.956 0.022 1
1 245 . 10 1 1 A 23 23 LYS HA H 18 3.909 3.897 0.012 1
1 246 . 10 1 1 A 23 23 LYS CB C 18 32.191 32.277 -0.086 1
1 258 . 10 1 1 A 23 23 LYS C C 18 178.185 178.884 -0.699 1
1 259 . 10 1 1 A 24 24 GLU N N 19 117.651 119.184 -1.533 1
1 260 . 10 1 1 A 24 24 GLU H H 19 7.198 7.943 -0.745 1
1 261 . 10 1 1 A 24 24 GLU CA C 19 60.601 59.141 1.460 1
1 262 . 10 1 1 A 24 24 GLU HA H 19 4.056 3.967 0.089 1
1 263 . 10 1 1 A 24 24 GLU CB C 19 28.859 29.325 -0.466 1
1 269 . 10 1 1 A 24 24 GLU C C 19 178.542 179.184 -0.642 1
1 270 . 10 1 1 A 25 25 LEU N N 20 119.236 120.153 -0.917 1
1 271 . 10 1 1 A 25 25 LEU H H 20 7.980 8.345 -0.365 1
1 272 . 10 1 1 A 25 25 LEU CA C 20 57.812 57.955 -0.143 1
1 273 . 10 1 1 A 25 25 LEU HA H 20 3.947 4.001 -0.054 1
1 274 . 10 1 1 A 25 25 LEU CB C 20 42.172 41.009 1.163 1
1 281 . 10 1 1 A 25 25 LEU C C 20 178.081 179.436 -1.355 1
1 282 . 10 1 1 A 26 26 LYS N N 21 117.457 121.260 -3.803 1
1 283 . 10 1 1 A 26 26 LYS H H 21 8.770 8.374 0.396 1
1 284 . 10 1 1 A 26 26 LYS CA C 21 60.741 59.730 1.011 1
1 285 . 10 1 1 A 26 26 LYS HA H 21 3.806 3.943 -0.137 1
1 286 . 10 1 1 A 26 26 LYS CB C 21 31.876 32.068 -0.192 1
1 287 . 10 1 1 A 26 26 LYS C C 21 177.659 178.988 -1.329 1
1 288 . 10 1 1 A 27 27 ASP N N 22 119.023 119.584 -0.561 1
1 289 . 10 1 1 A 27 27 ASP H H 22 7.671 8.164 -0.493 1
1 290 . 10 1 1 A 27 27 ASP CA C 22 56.971 57.069 -0.098 1
1 291 . 10 1 1 A 27 27 ASP HA H 22 4.409 4.495 -0.086 1
1 292 . 10 1 1 A 27 27 ASP CB C 22 40.196 40.732 -0.536 1
1 295 . 10 1 1 A 27 27 ASP C C 22 180.796 179.019 1.777 1
1 296 . 10 1 1 A 28 28 ILE N N 23 119.318 120.331 -1.013 1
1 297 . 10 1 1 A 28 28 ILE H H 23 8.039 7.788 0.251 1
1 298 . 10 1 1 A 28 28 ILE CA C 23 65.328 65.492 -0.164 1
1 299 . 10 1 1 A 28 28 ILE HA H 23 3.601 3.634 -0.033 1
1 300 . 10 1 1 A 28 28 ILE CB C 23 37.309 38.153 -0.844 1
1 313 . 10 1 1 A 28 28 ILE C C 23 177.251 178.426 -1.175 1
1 314 . 10 1 1 A 29 29 LEU N N 24 120.356 121.409 -1.053 1
1 315 . 10 1 1 A 29 29 LEU H H 24 8.220 8.289 -0.069 1
1 316 . 10 1 1 A 29 29 LEU CA C 24 58.535 58.226 0.309 1
1 317 . 10 1 1 A 29 29 LEU HA H 24 3.824 3.997 -0.173 1
1 318 . 10 1 1 A 29 29 LEU CB C 24 39.478 41.437 -1.959 1
1 326 . 10 1 1 A 29 29 LEU C C 24 178.599 178.261 0.338 1
1 327 . 10 1 1 A 30 30 ASN N N 25 117.446 117.119 0.327 1
1 328 . 10 1 1 A 30 30 ASN H H 25 8.687 8.338 0.349 1
1 329 . 10 1 1 A 30 30 ASN CA C 25 56.241 56.728 -0.487 1
1 330 . 10 1 1 A 30 30 ASN HA H 25 4.520 4.373 0.147 1
1 331 . 10 1 1 A 30 30 ASN CB C 25 38.899 39.029 -0.130 1
1 338 . 10 1 1 A 30 30 ASN C C 25 178.958 178.045 0.913 1
1 339 . 10 1 1 A 31 31 GLN N N 26 119.946 117.981 1.965 1
1 340 . 10 1 1 A 31 31 GLN H H 26 8.184 7.799 0.385 1
1 341 . 10 1 1 A 31 31 GLN CA C 26 58.779 58.191 0.588 1
1 342 . 10 1 1 A 31 31 GLN HA H 26 4.055 4.127 -0.072 1
1 343 . 10 1 1 A 31 31 GLN CB C 26 29.109 28.029 1.080 1
1 353 . 10 1 1 A 31 31 GLN C C 26 177.586 178.880 -1.294 1
1 354 . 10 1 1 A 32 32 LEU N N 27 116.979 118.030 -1.051 1
1 355 . 10 1 1 A 32 32 LEU H H 27 7.893 7.587 0.306 1
1 356 . 10 1 1 A 32 32 LEU CA C 27 54.393 55.962 -1.569 1
1 357 . 10 1 1 A 32 32 LEU HA H 27 4.240 4.187 0.053 1
1 358 . 10 1 1 A 32 32 LEU CB C 27 42.566 42.560 0.006 1
1 369 . 10 1 1 A 32 32 LEU C C 27 175.693 177.698 -2.005 1
1 370 . 10 1 1 A 33 33 GLY N N 28 108.299 106.425 1.874 1
1 371 . 10 1 1 A 33 33 GLY H H 28 7.834 8.212 -0.378 1
1 372 . 10 1 1 A 33 33 GLY CA C 28 45.707 45.450 0.257 1
1 373 . 10 1 1 A 33 33 GLY HA2 H 28 3.952 3.980 -0.028 1
1 374 . 10 1 1 A 33 33 GLY HA3 H 28 3.952 3.981 -0.029 1
1 375 . 10 1 1 A 33 33 GLY C C 28 174.317 174.317 0.000 1
1 376 . 10 1 1 A 34 34 LEU N N 29 120.833 114.802 6.031 1
1 377 . 10 1 1 A 34 34 LEU H H 29 7.986 7.118 0.868 1
1 378 . 10 1 1 A 34 34 LEU CA C 29 51.600 51.823 -0.223 1
1 379 . 10 1 1 A 34 34 LEU HA H 29 4.760 4.744 0.016 1
1 380 . 10 1 1 A 34 34 LEU CB C 29 43.531 42.088 1.443 1
1 392 . 10 1 1 A 35 35 PRO CA C 30 62.741 62.421 0.320 1
1 393 . 10 1 1 A 35 35 PRO HA H 30 4.365 4.632 -0.267 1
1 394 . 10 1 1 A 35 35 PRO CB C 30 31.856 29.345 2.511 1
1 402 . 10 1 1 A 35 35 PRO C C 30 177.334 175.835 1.499 1
1 403 . 10 1 1 A 36 36 LYS N N 31 117.589 117.723 -0.134 1
1 404 . 10 1 1 A 36 36 LYS H H 31 8.380 8.163 0.217 1
1 405 . 10 1 1 A 36 36 LYS CA C 31 55.569 55.331 0.238 1
1 406 . 10 1 1 A 36 36 LYS HA H 31 4.288 4.580 -0.292 1
1 407 . 10 1 1 A 36 36 LYS CB C 31 33.225 32.326 0.899 1
1 417 . 10 1 1 A 36 36 LYS C C 31 174.406 176.221 -1.815 1
1 418 . 10 1 1 A 37 37 GLN N N 32 118.260 119.607 -1.347 1
1 419 . 10 1 1 A 37 37 GLN H H 32 7.698 8.165 -0.467 1
1 420 . 10 1 1 A 37 37 GLN CA C 32 55.716 53.735 1.981 1
1 421 . 10 1 1 A 37 37 GLN HA H 32 4.392 4.570 -0.178 1
1 422 . 10 1 1 A 37 37 GLN CB C 32 28.251 31.148 -2.897 1
1 432 . 10 1 1 A 37 37 GLN C C 32 175.122 175.712 -0.590 1
1 433 . 10 1 1 A 38 38 GLY N N 33 109.855 108.871 0.984 1
1 434 . 10 1 1 A 38 38 GLY H H 33 8.449 8.328 0.121 1
1 435 . 10 1 1 A 38 38 GLY CA C 33 43.315 44.483 -1.168 1
1 436 . 10 1 1 A 38 38 GLY HA2 H 33 4.600 4.099 0.501 1
1 437 . 10 1 1 A 38 38 GLY HA3 H 33 3.803 4.099 -0.296 1
1 438 . 10 1 1 A 38 38 GLY C C 33 173.537 173.706 -0.169 1
1 439 . 10 1 1 A 39 39 LYS N N 34 117.627 122.499 -4.872 1
1 440 . 10 1 1 A 39 39 LYS H H 34 8.649 8.218 0.431 1
1 441 . 10 1 1 A 39 39 LYS CA C 34 54.916 54.747 0.169 1
1 442 . 10 1 1 A 39 39 LYS HA H 34 4.395 4.600 -0.205 1
1 443 . 10 1 1 A 39 39 LYS CB C 34 32.893 34.389 -1.496 1
1 455 . 10 1 1 A 39 39 LYS C C 34 176.803 178.406 -1.603 1
1 456 . 10 1 1 A 40 40 LYS N N 35 121.705 123.880 -2.175 1
1 457 . 10 1 1 A 40 40 LYS H H 35 8.920 8.977 -0.057 1
1 458 . 10 1 1 A 40 40 LYS CA C 35 61.574 59.523 2.051 1
1 459 . 10 1 1 A 40 40 LYS HA H 35 3.599 3.967 -0.368 1
1 460 . 10 1 1 A 40 40 LYS CB C 35 31.924 32.148 -0.224 1
1 472 . 10 1 1 A 40 40 LYS C C 35 177.366 177.752 -0.386 1
1 473 . 10 1 1 A 41 41 GLN N N 36 114.634 117.835 -3.201 1
1 474 . 10 1 1 A 41 41 GLN H H 36 9.017 7.911 1.106 1
1 475 . 10 1 1 A 41 41 GLN CA C 36 57.636 58.931 -1.295 1
1 476 . 10 1 1 A 41 41 GLN HA H 36 3.731 4.015 -0.284 1
1 477 . 10 1 1 A 41 41 GLN CB C 36 27.865 28.457 -0.592 1
1 487 . 10 1 1 A 41 41 GLN C C 36 176.872 178.129 -1.257 1
1 488 . 10 1 1 A 42 42 ASP N N 37 115.980 120.515 -4.535 1
1 489 . 10 1 1 A 42 42 ASP H H 37 7.047 8.103 -1.056 1
1 490 . 10 1 1 A 42 42 ASP CA C 37 56.593 57.395 -0.802 1
1 491 . 10 1 1 A 42 42 ASP HA H 37 4.297 4.362 -0.065 1
1 492 . 10 1 1 A 42 42 ASP CB C 37 39.839 40.894 -1.055 1
1 495 . 10 1 1 A 42 42 ASP C C 37 178.454 178.922 -0.468 1
1 496 . 10 1 1 A 43 43 LEU N N 38 119.074 120.781 -1.707 1
1 497 . 10 1 1 A 43 43 LEU H H 38 7.725 8.304 -0.579 1
1 498 . 10 1 1 A 43 43 LEU CA C 38 57.713 58.006 -0.293 1
1 499 . 10 1 1 A 43 43 LEU HA H 38 3.787 3.978 -0.191 1
1 500 . 10 1 1 A 43 43 LEU CB C 38 40.214 42.374 -2.160 1
1 513 . 10 1 1 A 43 43 LEU C C 38 177.872 179.013 -1.141 1
1 514 . 10 1 1 A 44 44 ILE N N 39 118.343 118.798 -0.455 1
1 515 . 10 1 1 A 44 44 ILE H H 39 7.867 8.086 -0.219 1
1 516 . 10 1 1 A 44 44 ILE CA C 39 66.090 65.471 0.619 1
1 517 . 10 1 1 A 44 44 ILE HA H 39 3.321 3.507 -0.186 1
1 518 . 10 1 1 A 44 44 ILE CB C 39 38.013 37.717 0.296 1
1 528 . 10 1 1 A 44 44 ILE C C 39 177.711 177.669 0.042 1
1 529 . 10 1 1 A 45 45 ASP N N 40 118.533 120.632 -2.099 1
1 530 . 10 1 1 A 45 45 ASP H H 40 8.503 8.409 0.094 1
1 531 . 10 1 1 A 45 45 ASP CA C 40 57.009 57.373 -0.364 1
1 532 . 10 1 1 A 45 45 ASP HA H 40 4.272 4.470 -0.198 1
1 533 . 10 1 1 A 45 45 ASP CB C 40 39.419 40.841 -1.422 1
1 536 . 10 1 1 A 45 45 ASP C C 40 178.392 179.135 -0.743 1
1 537 . 10 1 1 A 46 46 ARG N N 41 120.911 120.378 0.533 1
1 538 . 10 1 1 A 46 46 ARG H H 41 7.717 7.822 -0.105 1
1 539 . 10 1 1 A 46 46 ARG CA C 41 59.048 59.674 -0.626 1
1 540 . 10 1 1 A 46 46 ARG HA H 41 3.991 4.038 -0.047 1
1 541 . 10 1 1 A 46 46 ARG CB C 41 29.817 30.790 -0.973 1
1 550 . 10 1 1 A 46 46 ARG C C 41 177.537 178.511 -0.974 1
1 551 . 10 1 1 A 47 47 VAL N N 42 117.438 119.320 -1.882 1
1 552 . 10 1 1 A 47 47 VAL H H 42 7.445 7.972 -0.527 1
1 553 . 10 1 1 A 47 47 VAL CA C 42 65.881 66.345 -0.464 1
1 554 . 10 1 1 A 47 47 VAL HA H 42 3.442 3.666 -0.224 1
1 555 . 10 1 1 A 47 47 VAL CB C 42 30.931 31.700 -0.769 1
1 565 . 10 1 1 A 47 47 VAL C C 42 177.671 178.094 -0.423 1
1 566 . 10 1 1 A 48 48 LEU N N 43 117.085 117.699 -0.614 1
1 567 . 10 1 1 A 48 48 LEU H H 43 8.466 8.131 0.335 1
1 568 . 10 1 1 A 48 48 LEU CA C 43 57.248 57.799 -0.551 1
1 569 . 10 1 1 A 48 48 LEU HA H 43 3.847 3.932 -0.085 1
1 570 . 10 1 1 A 48 48 LEU CB C 43 40.720 41.141 -0.421 1
1 583 . 10 1 1 A 48 48 LEU C C 43 179.581 179.557 0.024 1
1 584 . 10 1 1 A 49 49 ALA N N 44 120.479 121.961 -1.482 1
1 585 . 10 1 1 A 49 49 ALA H H 44 7.953 8.039 -0.086 1
1 586 . 10 1 1 A 49 49 ALA CA C 44 53.997 54.600 -0.603 1
1 587 . 10 1 1 A 49 49 ALA HA H 44 4.123 4.113 0.010 1
1 591 . 10 1 1 A 49 49 ALA CB C 44 17.631 18.172 -0.541 1
1 592 . 10 1 1 A 49 49 ALA C C 44 178.926 179.483 -0.557 1
1 593 . 10 1 1 A 50 50 LEU N N 45 115.306 120.398 -5.092 1
1 594 . 10 1 1 A 50 50 LEU H H 45 7.428 7.789 -0.361 1
1 595 . 10 1 1 A 50 50 LEU CA C 45 55.652 57.617 -1.965 1
1 596 . 10 1 1 A 50 50 LEU HA H 45 4.219 4.095 0.124 1
1 597 . 10 1 1 A 50 50 LEU CB C 45 41.846 41.811 0.035 1
1 610 . 10 1 1 A 50 50 LEU C C 45 177.840 178.716 -0.876 1
1 611 . 10 1 1 A 51 51 LEU N N 46 115.880 118.650 -2.770 1
1 612 . 10 1 1 A 51 51 LEU H H 46 7.642 7.958 -0.316 1
1 613 . 10 1 1 A 51 51 LEU CA C 46 54.693 56.280 -1.587 1
1 614 . 10 1 1 A 51 51 LEU HA H 46 4.265 4.191 0.074 1
1 615 . 10 1 1 A 51 51 LEU CB C 46 42.040 41.917 0.123 1
1 625 . 10 1 1 A 51 51 LEU C C 46 176.015 177.526 -1.511 1
1 626 . 10 1 1 A 52 52 THR N N 47 109.201 112.863 -3.662 1
1 627 . 10 1 1 A 52 52 THR H H 47 7.516 7.437 0.079 1
1 628 . 10 1 1 A 52 52 THR CA C 47 60.834 64.591 -3.757 1
1 629 . 10 1 1 A 52 52 THR HA H 47 4.348 4.288 0.060 1
1 630 . 10 1 1 A 52 52 THR CB C 47 69.704 69.400 0.304 1
1 636 . 10 1 1 A 52 52 THR C C 47 173.733 175.314 -1.581 1
1 637 . 10 1 1 A 53 53 ASP N N 48 122.188 118.780 3.408 1
1 638 . 10 1 1 A 53 53 ASP H H 48 8.280 8.137 0.143 1
1 639 . 10 1 1 A 53 53 ASP CA C 48 54.185 56.169 -1.984 1
1 640 . 10 1 1 A 53 53 ASP HA H 48 4.699 4.504 0.195 1
1 641 . 10 1 1 A 53 53 ASP CB C 48 40.749 40.490 0.259 1
1 645 . 10 1 1 A 53 53 ASP C C 48 176.000 176.726 -0.726 1
1 646 . 10 1 1 A 54 54 GLU N N 49 121.966 118.779 3.187 1
1 647 . 10 1 1 A 54 54 GLU H H 49 8.588 7.757 0.831 1
1 648 . 10 1 1 A 54 54 GLU CA C 49 56.604 55.500 1.104 1
1 649 . 10 1 1 A 54 54 GLU HA H 49 4.229 4.595 -0.366 1
1 650 . 10 1 1 A 54 54 GLU CB C 49 29.642 30.824 -1.182 1
1 656 . 10 1 1 A 54 54 GLU C C 49 176.589 176.735 -0.146 1
1 657 . 10 1 1 A 55 55 GLN N N 50 120.727 119.118 1.609 1
1 658 . 10 1 1 A 55 55 GLN H H 50 8.642 7.906 0.736 1
1 659 . 10 1 1 A 55 55 GLN CA C 50 56.165 55.385 0.780 1
1 660 . 10 1 1 A 55 55 GLN HA H 50 4.226 4.200 0.026 1
1 661 . 10 1 1 A 55 55 GLN CB C 50 28.555 29.063 -0.508 1
1 671 . 10 1 1 A 55 55 GLN C C 50 176.554 176.898 -0.344 1
1 672 . 10 1 1 A 56 56 GLY N N 51 109.357 108.426 0.931 1
1 673 . 10 1 1 A 56 56 GLY H H 51 8.519 7.824 0.695 1
1 674 . 10 1 1 A 56 56 GLY CA C 51 45.276 46.338 -1.062 1
1 675 . 10 1 1 A 56 56 GLY HA2 H 51 3.951 3.951 0.000 1
1 676 . 10 1 1 A 56 56 GLY HA3 H 51 3.815 3.968 -0.153 1
1 677 . 10 1 1 A 56 56 GLY C C 51 174.146 175.091 -0.945 1
1 678 . 10 1 1 A 57 57 GLN N N 52 119.207 117.426 1.781 1
1 679 . 10 1 1 A 57 57 GLN H H 52 8.263 8.193 0.070 1
1 680 . 10 1 1 A 57 57 GLN CA C 52 55.650 57.260 -1.610 1
1 681 . 10 1 1 A 57 57 GLN HA H 52 4.217 4.308 -0.091 1
1 682 . 10 1 1 A 57 57 GLN CB C 52 28.723 29.416 -0.693 1
1 692 . 10 1 1 A 57 57 GLN C C 52 175.872 177.151 -1.279 1
1 693 . 10 1 1 A 58 58 ARG N N 53 120.525 114.513 6.012 1
1 694 . 10 1 1 A 58 58 ARG H H 53 8.279 7.978 0.301 1
1 695 . 10 1 1 A 58 58 ARG CA C 53 55.854 55.498 0.356 1
1 696 . 10 1 1 A 58 58 ARG HA H 53 4.204 4.676 -0.472 1
1 697 . 10 1 1 A 58 58 ARG CB C 53 29.944 30.564 -0.620 1
1 708 . 10 1 1 A 58 58 ARG C C 53 175.819 175.397 0.422 1
1 709 . 10 1 1 A 59 59 HIS N N 54 118.905 118.286 0.619 1
1 710 . 10 1 1 A 59 59 HIS H H 54 8.397 7.824 0.573 1
1 711 . 10 1 1 A 59 59 HIS CA C 54 55.130 56.341 -1.211 1
1 712 . 10 1 1 A 59 59 HIS HA H 54 4.554 4.762 -0.208 1
1 713 . 10 1 1 A 59 59 HIS CB C 54 28.953 32.708 -3.755 1
1 716 . 10 1 1 A 59 59 HIS C C 54 174.248 173.184 1.064 1
1 717 . 10 1 1 A 60 60 HIS N N 55 119.527 121.702 -2.175 1
1 718 . 10 1 1 A 60 60 HIS H H 55 8.493 8.481 0.012 1
1 719 . 10 1 1 A 60 60 HIS CA C 55 55.589 55.820 -0.231 1
1 720 . 10 1 1 A 60 60 HIS HA H 55 4.553 3.911 0.642 1
1 721 . 10 1 1 A 60 60 HIS CB C 55 28.913 29.182 -0.269 1
1 724 . 10 1 1 A 60 60 HIS C C 55 174.759 175.086 -0.327 1
1 725 . 10 1 1 A 61 61 GLY N N 56 110.215 109.225 0.990 1
1 726 . 10 1 1 A 61 61 GLY H H 56 8.604 7.898 0.706 1
1 727 . 10 1 1 A 61 61 GLY CA C 56 44.977 45.541 -0.564 1
1 728 . 10 1 1 A 61 61 GLY HA2 H 56 3.958 3.846 0.112 1
1 729 . 10 1 1 A 61 61 GLY HA3 H 56 3.833 3.949 -0.116 1
1 730 . 10 1 1 A 61 61 GLY C C 56 173.752 174.469 -0.717 1
1 731 . 10 1 1 A 62 62 TRP N N 57 120.700 121.213 -0.513 1
1 732 . 10 1 1 A 62 62 TRP H H 57 8.175 7.405 0.770 1
1 733 . 10 1 1 A 62 62 TRP CA C 57 56.935 57.678 -0.743 1
1 734 . 10 1 1 A 62 62 TRP HA H 57 4.658 4.772 -0.114 1
1 735 . 10 1 1 A 62 62 TRP CB C 57 29.018 30.737 -1.719 1
1 750 . 10 1 1 A 62 62 TRP C C 57 176.442 177.273 -0.831 1
1 751 . 10 1 1 A 63 63 GLY N N 58 110.195 109.336 0.859 1
1 752 . 10 1 1 A 63 63 GLY H H 58 8.452 8.493 -0.041 1
1 753 . 10 1 1 A 63 63 GLY CA C 58 45.052 46.699 -1.647 1
1 754 . 10 1 1 A 63 63 GLY HA2 H 58 3.925 4.008 -0.083 1
1 755 . 10 1 1 A 63 63 GLY HA3 H 58 3.833 4.100 -0.267 1
1 756 . 10 1 1 A 63 63 GLY C C 58 173.738 174.391 -0.653 1
1 757 . 10 1 1 A 64 64 ARG N N 59 120.374 119.731 0.643 1
1 758 . 10 1 1 A 64 64 ARG H H 59 8.136 8.233 -0.097 1
1 759 . 10 1 1 A 64 64 ARG CA C 59 55.779 57.015 -1.236 1
1 760 . 10 1 1 A 64 64 ARG HA H 59 4.287 4.083 0.204 1
1 761 . 10 1 1 A 64 64 ARG CB C 59 30.244 29.345 0.899 1
1 772 . 10 1 1 A 64 64 ARG C C 59 176.269 175.295 0.974 1
1 773 . 10 1 1 A 65 65 LYS N N 60 121.590 118.652 2.938 1
1 774 . 10 1 1 A 65 65 LYS H H 60 8.483 8.437 0.046 1
1 775 . 10 1 1 A 65 65 LYS CA C 60 56.435 57.158 -0.723 1
1 776 . 10 1 1 A 65 65 LYS HA H 60 4.226 4.031 0.195 1
1 777 . 10 1 1 A 65 65 LYS CB C 60 32.259 30.885 1.374 1
1 783 . 10 1 1 A 65 65 LYS C C 60 176.075 177.408 -1.333 1
1 784 . 10 1 1 A 66 66 ASN N N 61 118.654 118.066 0.588 1
1 785 . 10 1 1 A 66 66 ASN H H 61 8.413 8.235 0.178 1
1 786 . 10 1 1 A 66 66 ASN CA C 61 53.042 52.146 0.896 1
1 787 . 10 1 1 A 66 66 ASN HA H 61 4.651 4.689 -0.038 1
1 788 . 10 1 1 A 66 66 ASN CB C 61 38.348 37.667 0.681 1
1 795 . 10 1 1 A 66 66 ASN C C 61 174.530 174.998 -0.468 1
1 796 . 10 1 1 A 67 67 SER N N 62 115.494 111.429 4.065 1
1 797 . 10 1 1 A 67 67 SER H H 62 8.289 8.284 0.005 1
1 798 . 10 1 1 A 67 67 SER CA C 62 58.090 59.462 -1.372 1
1 799 . 10 1 1 A 67 67 SER HA H 62 4.294 4.260 0.034 1
1 800 . 10 1 1 A 67 67 SER CB C 62 63.205 61.169 2.036 1
1 803 . 10 1 1 A 67 67 SER C C 62 173.894 173.922 -0.028 1
1 804 . 10 1 1 A 68 68 LEU N N 63 123.552 115.910 7.642 1
1 805 . 10 1 1 A 68 68 LEU H H 63 8.063 7.866 0.197 1
1 806 . 10 1 1 A 68 68 LEU CA C 63 54.124 54.038 0.086 1
1 807 . 10 1 1 A 68 68 LEU HA H 63 4.495 4.583 -0.088 1
1 808 . 10 1 1 A 68 68 LEU CB C 63 42.447 42.652 -0.205 1
1 821 . 10 1 1 A 68 68 LEU C C 63 176.587 175.853 0.734 1
1 822 . 10 1 1 A 69 69 THR N N 64 112.637 110.074 2.563 1
1 823 . 10 1 1 A 69 69 THR H H 64 7.797 7.403 0.394 1
1 824 . 10 1 1 A 69 69 THR CA C 64 60.021 59.625 0.396 1
1 825 . 10 1 1 A 69 69 THR HA H 64 4.490 4.690 -0.200 1
1 826 . 10 1 1 A 69 69 THR CB C 64 70.896 72.314 -1.418 1
1 832 . 10 1 1 A 69 69 THR C C 64 174.998 175.104 -0.106 1
1 833 . 10 1 1 A 70 70 LYS N N 65 120.128 121.701 -1.573 1
1 834 . 10 1 1 A 70 70 LYS H H 65 9.059 9.268 -0.209 1
1 835 . 10 1 1 A 70 70 LYS CA C 65 59.374 60.170 -0.796 1
1 836 . 10 1 1 A 70 70 LYS HA H 65 3.941 3.927 0.014 1
1 837 . 10 1 1 A 70 70 LYS CB C 65 31.830 31.986 -0.156 1
1 843 . 10 1 1 A 70 70 LYS C C 65 177.539 178.732 -1.193 1
1 844 . 10 1 1 A 71 71 GLU N N 66 117.667 120.682 -3.015 1
1 845 . 10 1 1 A 71 71 GLU H H 66 8.699 8.529 0.170 1
1 846 . 10 1 1 A 71 71 GLU CA C 66 60.307 59.340 0.967 1
1 847 . 10 1 1 A 71 71 GLU HA H 66 3.812 4.077 -0.265 1
1 848 . 10 1 1 A 71 71 GLU CB C 66 27.903 29.695 -1.792 1
1 855 . 10 1 1 A 71 71 GLU C C 66 178.499 179.154 -0.655 1
1 856 . 10 1 1 A 72 72 ALA N N 67 123.914 122.812 1.102 1
1 857 . 10 1 1 A 72 72 ALA H H 67 7.991 7.611 0.380 1
1 858 . 10 1 1 A 72 72 ALA CA C 67 54.601 54.984 -0.383 1
1 859 . 10 1 1 A 72 72 ALA HA H 67 4.116 4.090 0.026 1
1 863 . 10 1 1 A 72 72 ALA CB C 67 18.288 18.438 -0.150 1
1 864 . 10 1 1 A 72 72 ALA C C 67 178.721 179.565 -0.844 1
1 865 . 10 1 1 A 73 73 VAL N N 68 119.435 117.881 1.554 1
1 866 . 10 1 1 A 73 73 VAL H H 68 8.045 8.044 0.001 1
1 867 . 10 1 1 A 73 73 VAL CA C 68 66.211 66.668 -0.457 1
1 868 . 10 1 1 A 73 73 VAL HA H 68 3.470 3.550 -0.080 1
1 869 . 10 1 1 A 73 73 VAL CB C 68 31.103 31.597 -0.494 1
1 879 . 10 1 1 A 73 73 VAL C C 68 177.001 178.487 -1.486 1
1 880 . 10 1 1 A 74 74 ALA N N 69 120.667 121.575 -0.908 1
1 881 . 10 1 1 A 74 74 ALA H H 69 8.407 8.090 0.317 1
1 882 . 10 1 1 A 74 74 ALA CA C 69 54.687 55.134 -0.447 1
1 883 . 10 1 1 A 74 74 ALA HA H 69 3.981 4.048 -0.067 1
1 887 . 10 1 1 A 74 74 ALA CB C 69 18.048 18.112 -0.064 1
1 888 . 10 1 1 A 74 74 ALA C C 69 178.865 179.309 -0.444 1
1 889 . 10 1 1 A 75 75 LYS N N 70 118.628 118.142 0.486 1
1 890 . 10 1 1 A 75 75 LYS H H 70 7.930 7.954 -0.024 1
1 891 . 10 1 1 A 75 75 LYS CA C 70 58.914 60.175 -1.261 1
1 892 . 10 1 1 A 75 75 LYS HA H 70 4.105 3.922 0.183 1
1 893 . 10 1 1 A 75 75 LYS CB C 70 31.806 32.260 -0.454 1
1 903 . 10 1 1 A 75 75 LYS C C 70 177.409 178.619 -1.210 1
1 904 . 10 1 1 A 76 76 ILE N N 71 120.231 119.646 0.585 1
1 905 . 10 1 1 A 76 76 ILE H H 71 7.478 7.810 -0.332 1
1 906 . 10 1 1 A 76 76 ILE CA C 71 64.835 64.958 -0.123 1
1 907 . 10 1 1 A 76 76 ILE HA H 71 3.973 3.627 0.346 1
1 908 . 10 1 1 A 76 76 ILE CB C 71 37.788 37.903 -0.115 1
1 921 . 10 1 1 A 76 76 ILE C C 71 179.734 177.599 2.135 1
1 922 . 10 1 1 A 77 77 VAL N N 72 122.505 119.464 3.041 1
1 923 . 10 1 1 A 77 77 VAL H H 72 8.325 7.796 0.529 1
1 924 . 10 1 1 A 77 77 VAL CA C 72 67.425 66.462 0.963 1
1 925 . 10 1 1 A 77 77 VAL HA H 72 3.581 3.331 0.250 1
1 926 . 10 1 1 A 77 77 VAL CB C 72 30.885 31.518 -0.633 1
1 936 . 10 1 1 A 77 77 VAL C C 72 176.939 177.311 -0.372 1
1 937 . 10 1 1 A 78 78 ASP N N 73 120.524 120.328 0.196 1
1 938 . 10 1 1 A 78 78 ASP H H 73 8.798 8.131 0.667 1
1 939 . 10 1 1 A 78 78 ASP CA C 73 58.163 57.358 0.805 1
1 940 . 10 1 1 A 78 78 ASP HA H 73 4.392 4.484 -0.092 1
1 941 . 10 1 1 A 78 78 ASP CB C 73 41.459 40.623 0.836 1
1 945 . 10 1 1 A 78 78 ASP C C 73 178.122 178.716 -0.594 1
1 946 . 10 1 1 A 79 79 ASP N N 74 119.762 119.356 0.406 1
1 947 . 10 1 1 A 79 79 ASP H H 74 9.318 8.001 1.317 1
1 948 . 10 1 1 A 79 79 ASP CA C 74 57.122 57.432 -0.310 1
1 949 . 10 1 1 A 79 79 ASP HA H 74 4.405 4.330 0.075 1
1 950 . 10 1 1 A 79 79 ASP CB C 74 39.850 41.024 -1.174 1
1 954 . 10 1 1 A 79 79 ASP C C 74 178.921 178.697 0.224 1
1 955 . 10 1 1 A 80 80 THR N N 75 117.347 116.157 1.190 1
1 956 . 10 1 1 A 80 80 THR H H 75 8.084 8.123 -0.039 1
1 957 . 10 1 1 A 80 80 THR CA C 75 67.055 66.382 0.673 1
1 958 . 10 1 1 A 80 80 THR HA H 75 3.846 3.832 0.014 1
1 959 . 10 1 1 A 80 80 THR CB C 75 67.692 68.191 -0.499 1
1 965 . 10 1 1 A 80 80 THR C C 75 175.367 176.037 -0.670 1
1 966 . 10 1 1 A 81 81 TYR N N 76 123.735 121.841 1.894 1
1 967 . 10 1 1 A 81 81 TYR H H 76 8.830 8.278 0.552 1
1 968 . 10 1 1 A 81 81 TYR CA C 76 61.712 61.909 -0.197 1
1 969 . 10 1 1 A 81 81 TYR HA H 76 4.269 4.413 -0.144 1
1 970 . 10 1 1 A 81 81 TYR CB C 76 38.639 38.941 -0.302 1
1 974 . 10 1 1 A 81 81 TYR C C 76 176.700 177.714 -1.014 1
1 975 . 10 1 1 A 82 82 ARG N N 77 118.508 118.190 0.318 1
1 976 . 10 1 1 A 82 82 ARG H H 77 8.755 8.729 0.026 1
1 977 . 10 1 1 A 82 82 ARG CA C 77 58.776 59.589 -0.813 1
1 978 . 10 1 1 A 82 82 ARG HA H 77 3.892 4.031 -0.139 1
1 979 . 10 1 1 A 82 82 ARG CB C 77 29.459 30.164 -0.705 1
1 995 . 10 1 1 A 82 82 ARG C C 77 178.748 178.903 -0.155 1
1 996 . 10 1 1 A 83 83 LYS N N 78 118.075 118.896 -0.821 1
1 997 . 10 1 1 A 83 83 LYS H H 78 7.696 7.959 -0.263 1
1 998 . 10 1 1 A 83 83 LYS CA C 78 58.614 58.781 -0.167 1
1 999 . 10 1 1 A 83 83 LYS HA H 78 4.031 4.110 -0.079 1
1 1000 . 10 1 1 A 83 83 LYS CB C 78 32.055 32.044 0.011 1
1 1005 . 10 1 1 A 83 83 LYS C C 78 177.890 178.954 -1.064 1
1 1006 . 10 1 1 A 84 84 MET N N 79 118.233 119.246 -1.013 1
1 1007 . 10 1 1 A 84 84 MET H H 79 7.748 8.079 -0.331 1
1 1008 . 10 1 1 A 84 84 MET CA C 79 57.254 58.452 -1.198 1
1 1009 . 10 1 1 A 84 84 MET HA H 79 4.189 4.183 0.006 1
1 1010 . 10 1 1 A 84 84 MET CB C 79 32.169 32.647 -0.478 1
1 1020 . 10 1 1 A 84 84 MET C C 79 177.036 177.356 -0.320 1
1 1021 . 10 1 1 A 85 85 GLN N N 80 117.242 115.502 1.740 1
1 1022 . 10 1 1 A 85 85 GLN H H 80 7.843 7.565 0.278 1
1 1023 . 10 1 1 A 85 85 GLN CA C 80 56.500 54.949 1.551 1
1 1024 . 10 1 1 A 85 85 GLN HA H 80 3.993 4.441 -0.448 1
1 1025 . 10 1 1 A 85 85 GLN CB C 80 28.124 30.583 -2.459 1
1 1035 . 10 1 1 A 85 85 GLN C C 80 176.756 176.008 0.748 1
1 1036 . 10 1 1 A 86 86 ILE N N 81 119.178 117.633 1.545 1
1 1037 . 10 1 1 A 86 86 ILE H H 81 7.715 7.995 -0.280 1
1 1038 . 10 1 1 A 86 86 ILE CA C 81 61.995 64.052 -2.057 1
1 1039 . 10 1 1 A 86 86 ILE HA H 81 3.948 4.222 -0.274 1
1 1040 . 10 1 1 A 86 86 ILE CB C 81 37.856 35.969 1.887 1
1 1052 . 10 1 1 A 86 86 ILE C C 81 176.728 175.547 1.181 1
1 1053 . 10 1 1 A 87 87 GLN N N 82 121.380 120.900 0.480 1
1 1054 . 10 1 1 A 87 87 GLN H H 82 8.164 8.941 -0.777 1
1 1055 . 10 1 1 A 87 87 GLN CA C 82 56.075 58.297 -2.222 1
1 1056 . 10 1 1 A 87 87 GLN HA H 82 4.227 4.212 0.015 1
1 1057 . 10 1 1 A 87 87 GLN CB C 82 28.735 28.497 0.238 1
1 1066 . 10 1 1 A 87 87 GLN C C 82 175.836 175.014 0.822 1
1 1067 . 10 1 1 A 88 88 CYS N N 83 118.668 123.219 -4.551 1
1 1068 . 10 1 1 A 88 88 CYS H H 83 8.238 8.367 -0.129 1
1 1069 . 10 1 1 A 88 88 CYS CA C 83 58.012 58.283 -0.271 1
1 1070 . 10 1 1 A 88 88 CYS HA H 83 4.475 4.709 -0.234 1
1 1071 . 10 1 1 A 88 88 CYS CB C 83 27.697 28.251 -0.554 1
1 1074 . 10 1 1 A 88 88 CYS C C 83 173.428 174.375 -0.947 1
1 1075 . 10 1 1 A 89 89 ALA N N 84 127.014 120.564 6.450 1
1 1076 . 10 1 1 A 89 89 ALA H H 84 8.249 8.212 0.037 1
1 1077 . 10 1 1 A 89 89 ALA CA C 84 50.615 52.708 -2.093 1
1 1078 . 10 1 1 A 89 89 ALA HA H 84 4.562 4.098 0.464 1
1 1082 . 10 1 1 A 89 89 ALA CB C 84 17.465 17.701 -0.236 1
1 1083 . 10 1 1 A 89 89 ALA C C 84 175.125 178.028 -2.903 1
1 1085 . 10 1 1 A 90 90 PRO CA C 85 63.085 63.482 -0.397 1
1 1086 . 10 1 1 A 90 90 PRO HA H 85 4.386 4.384 0.002 1
1 1087 . 10 1 1 A 90 90 PRO CB C 85 31.491 32.050 -0.559 1
1 1095 . 10 1 1 A 90 90 PRO C C 85 176.381 177.046 -0.665 1
1 1096 . 10 1 1 A 91 91 ASP N N 86 119.209 118.719 0.490 1
1 1097 . 10 1 1 A 91 91 ASP H H 86 8.429 8.125 0.304 1
1 1098 . 10 1 1 A 91 91 ASP CA C 86 53.752 54.863 -1.111 1
1 1099 . 10 1 1 A 91 91 ASP HA H 86 4.394 4.339 0.055 1
1 1100 . 10 1 1 A 91 91 ASP CB C 86 40.319 39.128 1.191 1
1 1103 . 10 1 1 A 91 91 ASP C C 86 176.101 176.929 -0.828 1
1 1104 . 10 1 1 A 92 92 LEU N N 87 122.571 121.065 1.506 1
1 1105 . 10 1 1 A 92 92 LEU H H 87 8.208 8.088 0.120 1
1 1106 . 10 1 1 A 92 92 LEU CA C 87 55.327 55.422 -0.095 1
1 1107 . 10 1 1 A 92 92 LEU HA H 87 4.205 4.119 0.086 1
1 1108 . 10 1 1 A 92 92 LEU CB C 87 41.636 41.792 -0.156 1
1 1121 . 10 1 1 A 92 92 LEU C C 87 177.406 176.154 1.252 1
1 1122 . 10 1 1 A 93 93 ALA N N 88 123.131 120.554 2.577 1
1 1123 . 10 1 1 A 93 93 ALA H H 88 8.305 7.469 0.836 1
1 1124 . 10 1 1 A 93 93 ALA CA C 88 52.823 53.000 -0.177 1
1 1125 . 10 1 1 A 93 93 ALA HA H 88 4.245 4.075 0.170 1
1 1129 . 10 1 1 A 93 93 ALA CB C 88 18.496 17.285 1.211 1
1 1130 . 10 1 1 A 93 93 ALA C C 88 178.033 176.707 1.326 1
1 1131 . 10 1 1 A 94 94 THR N N 89 112.097 107.178 4.919 1
1 1132 . 10 1 1 A 94 94 THR H H 89 7.994 8.062 -0.068 1
1 1133 . 10 1 1 A 94 94 THR CA C 89 61.892 61.918 -0.026 1
1 1134 . 10 1 1 A 94 94 THR HA H 89 4.247 4.635 -0.388 1
1 1135 . 10 1 1 A 94 94 THR CB C 89 69.076 69.345 -0.269 1
1 1141 . 10 1 1 A 94 94 THR C C 89 174.478 174.614 -0.136 1
1 1142 . 10 1 1 A 95 95 ARG N N 90 122.704 119.599 3.105 1
1 1143 . 10 1 1 A 95 95 ARG H H 90 8.211 8.457 -0.246 1
1 1144 . 10 1 1 A 95 95 ARG CA C 90 55.803 57.245 -1.442 1
1 1145 . 10 1 1 A 95 95 ARG HA H 90 4.336 3.960 0.376 1
1 1146 . 10 1 1 A 95 95 ARG CB C 90 30.263 28.013 2.250 1
1 1157 . 10 1 1 A 95 95 ARG C C 90 175.958 175.600 0.358 1
1 1158 . 10 1 1 A 96 96 SER N N 91 116.390 108.371 8.019 1
1 1159 . 10 1 1 A 96 96 SER H H 91 8.365 8.514 -0.149 1
1 1160 . 10 1 1 A 96 96 SER CA C 91 58.011 59.178 -1.167 1
1 1161 . 10 1 1 A 96 96 SER HA H 91 4.383 4.206 0.177 1
1 1162 . 10 1 1 A 96 96 SER CB C 91 63.261 61.648 1.613 1
1 1165 . 10 1 1 A 96 96 SER C C 91 174.016 174.244 -0.228 1
1 1166 . 10 1 1 A 97 97 HIS N N 92 120.507 124.418 -3.911 1
1 1167 . 10 1 1 A 97 97 HIS H H 92 8.541 8.084 0.457 1
1 1168 . 10 1 1 A 97 97 HIS CA C 92 55.068 58.956 -3.888 1
1 1169 . 10 1 1 A 97 97 HIS HA H 92 4.707 4.283 0.424 1
1 1170 . 10 1 1 A 97 97 HIS CB C 92 28.839 30.216 -1.377 1
1 1173 . 10 1 1 A 97 97 HIS C C 92 174.186 175.353 -1.167 1
1 1174 . 10 1 1 A 98 98 SER N N 93 116.801 109.078 7.723 1
1 1175 . 10 1 1 A 98 98 SER H H 93 8.455 7.668 0.787 1
1 1176 . 10 1 1 A 98 98 SER CA C 93 58.046 57.878 0.168 1
1 1177 . 10 1 1 A 98 98 SER HA H 93 4.450 4.888 -0.438 1
1 1178 . 10 1 1 A 98 98 SER CB C 93 63.434 65.400 -1.966 1
1 1181 . 10 1 1 A 98 98 SER C C 93 174.553 173.099 1.454 1
1 1182 . 10 1 1 A 99 99 GLY N N 94 111.114 111.851 -0.737 1
1 1183 . 10 1 1 A 99 99 GLY H H 94 8.597 8.679 -0.082 1
1 1184 . 10 1 1 A 99 99 GLY CA C 94 44.888 45.876 -0.988 1
1 1185 . 10 1 1 A 99 99 GLY HA2 H 94 3.998 4.293 -0.295 1
1 1186 . 10 1 1 A 99 99 GLY HA3 H 94 3.998 4.312 -0.314 1
1 1187 . 10 1 1 A 99 99 GLY C C 94 173.856 172.501 1.355 1
1 1188 . 10 1 1 A 100 100 SER N N 95 115.398 119.378 -3.980 1
1 1189 . 10 1 1 A 100 100 SER H H 95 8.311 9.014 -0.703 1
1 1190 . 10 1 1 A 100 100 SER CA C 95 57.909 56.059 1.850 1
1 1191 . 10 1 1 A 100 100 SER HA H 95 4.422 5.176 -0.754 1
1 1192 . 10 1 1 A 100 100 SER CB C 95 63.377 66.029 -2.652 1
1 1195 . 10 1 1 A 100 100 SER C C 95 173.695 173.975 -0.280 1
1 1196 . 10 1 1 A 101 101 ASP N N 96 121.810 123.643 -1.833 1
1 1197 . 10 1 1 A 101 101 ASP H H 96 8.380 8.898 -0.518 1
1 1198 . 10 1 1 A 101 101 ASP CA C 96 53.797 56.400 -2.603 1
1 1199 . 10 1 1 A 101 101 ASP HA H 96 4.546 4.540 0.006 1
1 1200 . 10 1 1 A 101 101 ASP CB C 96 40.440 40.400 0.040 1
1 1203 . 10 1 1 A 101 101 ASP C C 96 175.547 176.737 -1.190 1
1 1204 . 10 1 1 A 102 102 PHE N N 97 120.706 116.210 4.496 1
1 1205 . 10 1 1 A 102 102 PHE H H 97 8.249 7.847 0.402 1
1 1206 . 10 1 1 A 102 102 PHE CA C 97 57.444 57.764 -0.320 1
1 1207 . 10 1 1 A 102 102 PHE HA H 97 4.546 4.636 -0.090 1
1 1208 . 10 1 1 A 102 102 PHE CB C 97 38.772 39.744 -0.972 1
1 1214 . 10 1 1 A 102 102 PHE C C 97 175.312 175.000 0.312 1
1 1215 . 10 1 1 A 103 103 SER N N 98 116.992 113.014 3.978 1
1 1216 . 10 1 1 A 103 103 SER H H 98 8.167 8.249 -0.082 1
1 1217 . 10 1 1 A 103 103 SER CA C 98 57.983 59.580 -1.597 1
1 1218 . 10 1 1 A 103 103 SER HA H 98 4.314 4.346 -0.032 1
1 1219 . 10 1 1 A 103 103 SER CB C 98 63.384 62.062 1.322 1
1 1222 . 10 1 1 A 103 103 SER C C 98 173.286 174.597 -1.311 1
1 1223 . 10 1 1 A 104 104 PHE N N 99 122.000 124.987 -2.987 1
1 1224 . 10 1 1 A 104 104 PHE H H 99 8.170 8.818 -0.648 1
1 1225 . 10 1 1 A 104 104 PHE CA C 99 57.354 58.802 -1.448 1
1 1226 . 10 1 1 A 104 104 PHE HA H 99 4.545 4.477 0.068 1
1 1227 . 10 1 1 A 104 104 PHE CB C 99 39.045 37.498 1.547 1
1 1233 . 10 1 1 A 104 104 PHE C C 99 174.621 174.986 -0.365 1
1 1234 . 10 1 1 A 105 105 ARG N N 100 124.796 119.648 5.148 1
1 1235 . 10 1 1 A 105 105 ARG H H 100 8.101 7.818 0.283 1
1 1236 . 10 1 1 A 105 105 ARG CA C 100 52.919 53.364 -0.445 1
1 1237 . 10 1 1 A 105 105 ARG HA H 100 4.542 4.551 -0.009 1
1 1238 . 10 1 1 A 105 105 ARG CB C 100 29.973 31.397 -1.424 1
1 1247 . 10 1 1 A 105 105 ARG C C 100 172.924 174.041 -1.117 1
1 1249 . 10 1 1 A 106 106 PRO CA C 101 62.366 62.204 0.162 1
1 1250 . 10 1 1 A 106 106 PRO HA H 101 4.349 4.521 -0.172 1
1 1251 . 10 1 1 A 106 106 PRO CB C 101 31.609 33.194 -1.585 1
1 1259 . 10 1 1 A 106 106 PRO C C 101 176.395 176.290 0.105 1
1 1260 . 10 1 1 A 107 107 ILE N N 102 121.380 120.592 0.788 1
1 1261 . 10 1 1 A 107 107 ILE H H 102 8.350 8.520 -0.170 1
1 1262 . 10 1 1 A 107 107 ILE CA C 102 60.925 60.433 0.492 1
1 1263 . 10 1 1 A 107 107 ILE HA H 102 4.050 4.517 -0.467 1
1 1264 . 10 1 1 A 107 107 ILE CB C 102 38.165 38.399 -0.234 1
1 1277 . 10 1 1 A 107 107 ILE C C 102 175.990 175.518 0.472 1
1 1278 . 10 1 1 A 108 108 GLU N N 103 124.836 120.724 4.112 1
1 1279 . 10 1 1 A 108 108 GLU H H 103 8.578 8.019 0.559 1
1 1280 . 10 1 1 A 108 108 GLU CA C 103 55.915 57.313 -1.398 1
1 1281 . 10 1 1 A 108 108 GLU HA H 103 4.279 3.925 0.354 1
1 1282 . 10 1 1 A 108 108 GLU CB C 103 29.902 28.414 1.488 1
1 1288 . 10 1 1 A 108 108 GLU C C 103 175.678 175.335 0.343 1
1 1289 . 10 1 1 A 109 109 GLU N N 104 122.847 119.128 3.719 1
1 1290 . 10 1 1 A 109 109 GLU H H 104 8.459 8.103 0.356 1
1 1291 . 10 1 1 A 109 109 GLU CA C 104 55.845 55.335 0.510 1
1 1292 . 10 1 1 A 109 109 GLU HA H 104 4.273 4.499 -0.226 1
1 1293 . 10 1 1 A 109 109 GLU CB C 104 29.990 27.897 2.093 1
1 1299 . 10 1 1 A 109 109 GLU C C 104 174.661 177.097 -2.436 1
1 3 . 11 1 1 A 2 2 SER N N -4 115.528 121.450 -5.922 1
1 4 . 11 1 1 A 2 2 SER H H -4 8.751 8.501 0.250 1
1 5 . 11 1 1 A 2 2 SER CA C -4 57.819 57.306 0.513 1
1 6 . 11 1 1 A 2 2 SER HA H -4 4.461 4.718 -0.257 1
1 7 . 11 1 1 A 2 2 SER CB C -4 63.389 62.499 0.890 1
1 8 . 11 1 1 A 2 2 SER C C -4 173.924 173.452 0.472 1
1 9 . 11 1 1 A 3 3 HIS N N -3 120.998 116.545 4.453 1
1 10 . 11 1 1 A 3 3 HIS H H -3 8.769 8.781 -0.012 1
1 11 . 11 1 1 A 3 3 HIS CA C -3 55.238 57.118 -1.880 1
1 12 . 11 1 1 A 3 3 HIS HA H -3 4.703 4.081 0.622 1
1 13 . 11 1 1 A 3 3 HIS CB C -3 28.916 27.585 1.331 1
1 16 . 11 1 1 A 3 3 HIS C C -3 174.207 175.126 -0.919 1
1 17 . 11 1 1 A 4 4 MET N N -2 122.227 114.079 8.148 1
1 18 . 11 1 1 A 4 4 MET H H -2 8.518 8.365 0.153 1
1 19 . 11 1 1 A 4 4 MET CA C -2 55.003 56.407 -1.404 1
1 20 . 11 1 1 A 4 4 MET HA H -2 4.420 4.017 0.403 1
1 21 . 11 1 1 A 4 4 MET CB C -2 32.578 31.337 1.241 1
1 31 . 11 1 1 A 4 4 MET C C -2 175.475 174.997 0.478 1
1 49 . 11 1 1 A 7 7 ALA N N 2 124.543 122.371 2.172 1
1 50 . 11 1 1 A 7 7 ALA H H 2 8.453 7.782 0.671 1
1 51 . 11 1 1 A 7 7 ALA CA C 2 53.203 54.806 -1.603 1
1 52 . 11 1 1 A 7 7 ALA HA H 2 4.211 4.131 0.080 1
1 56 . 11 1 1 A 7 7 ALA CB C 2 18.387 18.377 0.010 1
1 57 . 11 1 1 A 7 7 ALA C C 2 178.091 179.427 -1.336 1
1 58 . 11 1 1 A 8 8 ASP N N 3 118.618 118.071 0.547 1
1 59 . 11 1 1 A 8 8 ASP H H 3 8.064 8.051 0.013 1
1 60 . 11 1 1 A 8 8 ASP CA C 3 54.381 56.825 -2.444 1
1 61 . 11 1 1 A 8 8 ASP HA H 3 4.551 4.372 0.179 1
1 62 . 11 1 1 A 8 8 ASP CB C 3 40.446 40.953 -0.507 1
1 65 . 11 1 1 A 8 8 ASP C C 3 176.662 178.385 -1.723 1
1 66 . 11 1 1 A 9 9 LEU N N 4 123.427 120.528 2.899 1
1 67 . 11 1 1 A 9 9 LEU H H 4 8.202 7.688 0.514 1
1 68 . 11 1 1 A 9 9 LEU CA C 4 57.491 57.883 -0.392 1
1 69 . 11 1 1 A 9 9 LEU HA H 4 4.084 3.997 0.087 1
1 70 . 11 1 1 A 9 9 LEU CB C 4 41.745 41.550 0.195 1
1 80 . 11 1 1 A 9 9 LEU C C 4 178.873 178.662 0.211 1
1 81 . 11 1 1 A 10 10 VAL N N 5 119.385 119.257 0.128 1
1 82 . 11 1 1 A 10 10 VAL H H 5 8.186 8.325 -0.139 1
1 83 . 11 1 1 A 10 10 VAL CA C 5 66.686 66.677 0.009 1
1 84 . 11 1 1 A 10 10 VAL HA H 5 3.435 3.473 -0.038 1
1 85 . 11 1 1 A 10 10 VAL CB C 5 31.135 31.573 -0.438 1
1 95 . 11 1 1 A 10 10 VAL C C 5 177.408 177.782 -0.374 1
1 96 . 11 1 1 A 11 11 SER N N 6 115.027 116.004 -0.977 1
1 97 . 11 1 1 A 11 11 SER H H 6 8.252 8.098 0.154 1
1 98 . 11 1 1 A 11 11 SER CA C 6 61.229 62.193 -0.964 1
1 99 . 11 1 1 A 11 11 SER HA H 6 4.068 4.088 -0.020 1
1 100 . 11 1 1 A 11 11 SER CB C 6 62.054 62.672 -0.618 1
1 103 . 11 1 1 A 11 11 SER C C 6 176.036 176.582 -0.546 1
1 104 . 11 1 1 A 12 12 SER N N 7 115.144 116.832 -1.688 1
1 105 . 11 1 1 A 12 12 SER H H 7 8.053 8.090 -0.037 1
1 106 . 11 1 1 A 12 12 SER CA C 7 60.212 61.477 -1.265 1
1 107 . 11 1 1 A 12 12 SER HA H 7 4.309 4.061 0.248 1
1 108 . 11 1 1 A 12 12 SER CB C 7 62.720 62.968 -0.248 1
1 111 . 11 1 1 A 12 12 SER C C 7 176.540 176.400 0.140 1
1 112 . 11 1 1 A 13 13 CYS N N 8 118.211 119.026 -0.815 1
1 113 . 11 1 1 A 13 13 CYS H H 8 7.919 8.399 -0.480 1
1 114 . 11 1 1 A 13 13 CYS CA C 8 63.729 63.957 -0.228 1
1 115 . 11 1 1 A 13 13 CYS HA H 8 4.046 4.034 0.012 1
1 116 . 11 1 1 A 13 13 CYS CB C 8 26.703 26.931 -0.228 1
1 119 . 11 1 1 A 13 13 CYS C C 8 175.645 177.048 -1.403 1
1 120 . 11 1 1 A 14 14 LYS N N 9 120.074 121.205 -1.131 1
1 121 . 11 1 1 A 14 14 LYS H H 9 8.632 8.265 0.367 1
1 122 . 11 1 1 A 14 14 LYS CA C 9 60.438 59.613 0.825 1
1 123 . 11 1 1 A 14 14 LYS HA H 9 3.668 3.932 -0.264 1
1 124 . 11 1 1 A 14 14 LYS CB C 9 31.655 32.012 -0.357 1
1 136 . 11 1 1 A 14 14 LYS C C 9 177.590 177.872 -0.282 1
1 137 . 11 1 1 A 15 15 ASP N N 10 117.611 119.447 -1.836 1
1 138 . 11 1 1 A 15 15 ASP H H 10 7.732 8.096 -0.364 1
1 139 . 11 1 1 A 15 15 ASP CA C 10 56.325 57.281 -0.956 1
1 140 . 11 1 1 A 15 15 ASP HA H 10 4.320 4.199 0.121 1
1 141 . 11 1 1 A 15 15 ASP CB C 10 40.092 41.603 -1.511 1
1 144 . 11 1 1 A 15 15 ASP C C 10 177.731 178.443 -0.712 1
1 145 . 11 1 1 A 16 16 LYS N N 11 117.878 118.946 -1.068 1
1 146 . 11 1 1 A 16 16 LYS H H 11 7.254 7.709 -0.455 1
1 147 . 11 1 1 A 16 16 LYS CA C 11 58.984 58.779 0.205 1
1 148 . 11 1 1 A 16 16 LYS HA H 11 3.662 3.426 0.236 1
1 149 . 11 1 1 A 16 16 LYS CB C 11 32.933 31.784 1.149 1
1 158 . 11 1 1 A 16 16 LYS C C 11 177.350 177.892 -0.542 1
1 159 . 11 1 1 A 17 17 LEU N N 12 115.652 121.532 -5.880 1
1 160 . 11 1 1 A 17 17 LEU H H 12 8.138 8.320 -0.182 1
1 161 . 11 1 1 A 17 17 LEU CA C 12 56.722 57.876 -1.154 1
1 162 . 11 1 1 A 17 17 LEU HA H 12 3.588 4.314 -0.726 1
1 163 . 11 1 1 A 17 17 LEU CB C 12 41.870 41.166 0.704 1
1 174 . 11 1 1 A 17 17 LEU C C 12 177.545 178.356 -0.811 1
1 175 . 11 1 1 A 18 18 ALA N N 13 116.045 120.616 -4.571 1
1 176 . 11 1 1 A 18 18 ALA H H 13 7.080 8.466 -1.386 1
1 177 . 11 1 1 A 18 18 ALA CA C 13 53.475 54.354 -0.879 1
1 178 . 11 1 1 A 18 18 ALA HA H 13 3.984 4.066 -0.082 1
1 182 . 11 1 1 A 18 18 ALA CB C 13 18.121 18.824 -0.703 1
1 183 . 11 1 1 A 18 18 ALA C C 13 178.298 179.486 -1.188 1
1 184 . 11 1 1 A 19 19 TYR N N 14 115.556 119.587 -4.031 1
1 185 . 11 1 1 A 19 19 TYR H H 14 7.675 7.501 0.174 1
1 186 . 11 1 1 A 19 19 TYR CA C 14 58.741 60.060 -1.319 1
1 187 . 11 1 1 A 19 19 TYR HA H 14 4.323 4.204 0.119 1
1 188 . 11 1 1 A 19 19 TYR CB C 14 38.610 38.998 -0.388 1
1 193 . 11 1 1 A 19 19 TYR C C 14 176.007 175.893 0.114 1
1 194 . 11 1 1 A 20 20 PHE N N 15 118.275 119.286 -1.011 1
1 195 . 11 1 1 A 20 20 PHE H H 15 7.406 7.589 -0.183 1
1 196 . 11 1 1 A 20 20 PHE CA C 15 56.542 56.932 -0.390 1
1 197 . 11 1 1 A 20 20 PHE HA H 15 4.652 4.814 -0.162 1
1 198 . 11 1 1 A 20 20 PHE CB C 15 38.561 40.526 -1.965 1
1 202 . 11 1 1 A 20 20 PHE C C 15 176.160 175.888 0.272 1
1 203 . 11 1 1 A 21 21 ARG N N 16 119.140 123.830 -4.690 1
1 204 . 11 1 1 A 21 21 ARG H H 16 8.714 8.350 0.364 1
1 205 . 11 1 1 A 21 21 ARG CA C 16 54.474 56.111 -1.637 1
1 206 . 11 1 1 A 21 21 ARG HA H 16 4.747 4.268 0.479 1
1 207 . 11 1 1 A 21 21 ARG CB C 16 30.097 31.686 -1.589 1
1 223 . 11 1 1 A 21 21 ARG C C 16 177.095 177.781 -0.686 1
1 224 . 11 1 1 A 22 22 ILE N N 17 120.734 124.940 -4.206 1
1 225 . 11 1 1 A 22 22 ILE H H 17 8.708 8.815 -0.107 1
1 226 . 11 1 1 A 22 22 ILE CA C 17 65.114 64.738 0.376 1
1 227 . 11 1 1 A 22 22 ILE HA H 17 3.740 3.725 0.015 1
1 228 . 11 1 1 A 22 22 ILE CB C 17 36.768 37.625 -0.857 1
1 241 . 11 1 1 A 22 22 ILE C C 17 176.639 177.999 -1.360 1
1 242 . 11 1 1 A 23 23 LYS N N 18 118.184 121.529 -3.345 1
1 243 . 11 1 1 A 23 23 LYS H H 18 8.267 8.225 0.042 1
1 244 . 11 1 1 A 23 23 LYS CA C 18 59.978 59.907 0.071 1
1 245 . 11 1 1 A 23 23 LYS HA H 18 3.909 3.931 -0.022 1
1 246 . 11 1 1 A 23 23 LYS CB C 18 32.191 32.261 -0.070 1
1 258 . 11 1 1 A 23 23 LYS C C 18 178.185 179.019 -0.834 1
1 259 . 11 1 1 A 24 24 GLU N N 19 117.651 119.463 -1.812 1
1 260 . 11 1 1 A 24 24 GLU H H 19 7.198 8.005 -0.807 1
1 261 . 11 1 1 A 24 24 GLU CA C 19 60.601 59.209 1.392 1
1 262 . 11 1 1 A 24 24 GLU HA H 19 4.056 4.069 -0.013 1
1 263 . 11 1 1 A 24 24 GLU CB C 19 28.859 29.564 -0.705 1
1 269 . 11 1 1 A 24 24 GLU C C 19 178.542 179.229 -0.687 1
1 270 . 11 1 1 A 25 25 LEU N N 20 119.236 120.208 -0.972 1
1 271 . 11 1 1 A 25 25 LEU H H 20 7.980 8.356 -0.376 1
1 272 . 11 1 1 A 25 25 LEU CA C 20 57.812 58.026 -0.214 1
1 273 . 11 1 1 A 25 25 LEU HA H 20 3.947 4.028 -0.081 1
1 274 . 11 1 1 A 25 25 LEU CB C 20 42.172 40.991 1.181 1
1 281 . 11 1 1 A 25 25 LEU C C 20 178.081 179.479 -1.398 1
1 282 . 11 1 1 A 26 26 LYS N N 21 117.457 121.336 -3.879 1
1 283 . 11 1 1 A 26 26 LYS H H 21 8.770 8.410 0.360 1
1 284 . 11 1 1 A 26 26 LYS CA C 21 60.741 59.580 1.161 1
1 285 . 11 1 1 A 26 26 LYS HA H 21 3.806 3.941 -0.135 1
1 286 . 11 1 1 A 26 26 LYS CB C 21 31.876 32.043 -0.167 1
1 287 . 11 1 1 A 26 26 LYS C C 21 177.659 178.777 -1.118 1
1 288 . 11 1 1 A 27 27 ASP N N 22 119.023 119.588 -0.565 1
1 289 . 11 1 1 A 27 27 ASP H H 22 7.671 8.144 -0.473 1
1 290 . 11 1 1 A 27 27 ASP CA C 22 56.971 57.097 -0.126 1
1 291 . 11 1 1 A 27 27 ASP HA H 22 4.409 4.512 -0.103 1
1 292 . 11 1 1 A 27 27 ASP CB C 22 40.196 40.714 -0.518 1
1 295 . 11 1 1 A 27 27 ASP C C 22 180.796 179.073 1.723 1
1 296 . 11 1 1 A 28 28 ILE N N 23 119.318 120.328 -1.010 1
1 297 . 11 1 1 A 28 28 ILE H H 23 8.039 7.912 0.127 1
1 298 . 11 1 1 A 28 28 ILE CA C 23 65.328 65.581 -0.253 1
1 299 . 11 1 1 A 28 28 ILE HA H 23 3.601 3.664 -0.063 1
1 300 . 11 1 1 A 28 28 ILE CB C 23 37.309 38.206 -0.897 1
1 313 . 11 1 1 A 28 28 ILE C C 23 177.251 178.312 -1.061 1
1 314 . 11 1 1 A 29 29 LEU N N 24 120.356 121.379 -1.023 1
1 315 . 11 1 1 A 29 29 LEU H H 24 8.220 8.255 -0.035 1
1 316 . 11 1 1 A 29 29 LEU CA C 24 58.535 58.264 0.271 1
1 317 . 11 1 1 A 29 29 LEU HA H 24 3.824 3.995 -0.171 1
1 318 . 11 1 1 A 29 29 LEU CB C 24 39.478 41.412 -1.934 1
1 326 . 11 1 1 A 29 29 LEU C C 24 178.599 178.357 0.242 1
1 327 . 11 1 1 A 30 30 ASN N N 25 117.446 117.247 0.199 1
1 328 . 11 1 1 A 30 30 ASN H H 25 8.687 8.502 0.185 1
1 329 . 11 1 1 A 30 30 ASN CA C 25 56.241 56.971 -0.730 1
1 330 . 11 1 1 A 30 30 ASN HA H 25 4.520 4.357 0.163 1
1 331 . 11 1 1 A 30 30 ASN CB C 25 38.899 39.109 -0.210 1
1 338 . 11 1 1 A 30 30 ASN C C 25 178.958 178.195 0.763 1
1 339 . 11 1 1 A 31 31 GLN N N 26 119.946 118.147 1.799 1
1 340 . 11 1 1 A 31 31 GLN H H 26 8.184 7.877 0.307 1
1 341 . 11 1 1 A 31 31 GLN CA C 26 58.779 58.741 0.038 1
1 342 . 11 1 1 A 31 31 GLN HA H 26 4.055 4.044 0.011 1
1 343 . 11 1 1 A 31 31 GLN CB C 26 29.109 28.263 0.846 1
1 353 . 11 1 1 A 31 31 GLN C C 26 177.586 178.868 -1.282 1
1 354 . 11 1 1 A 32 32 LEU N N 27 116.979 115.235 1.744 1
1 355 . 11 1 1 A 32 32 LEU H H 27 7.893 7.805 0.088 1
1 356 . 11 1 1 A 32 32 LEU CA C 27 54.393 55.201 -0.808 1
1 357 . 11 1 1 A 32 32 LEU HA H 27 4.240 4.261 -0.021 1
1 358 . 11 1 1 A 32 32 LEU CB C 27 42.566 43.284 -0.718 1
1 369 . 11 1 1 A 32 32 LEU C C 27 175.693 177.395 -1.702 1
1 370 . 11 1 1 A 33 33 GLY N N 28 108.299 109.628 -1.329 1
1 371 . 11 1 1 A 33 33 GLY H H 28 7.834 7.498 0.336 1
1 372 . 11 1 1 A 33 33 GLY CA C 28 45.707 45.328 0.379 1
1 373 . 11 1 1 A 33 33 GLY HA2 H 28 3.952 4.021 -0.069 1
1 374 . 11 1 1 A 33 33 GLY HA3 H 28 3.952 4.027 -0.075 1
1 375 . 11 1 1 A 33 33 GLY C C 28 174.317 174.138 0.179 1
1 376 . 11 1 1 A 34 34 LEU N N 29 120.833 121.692 -0.859 1
1 377 . 11 1 1 A 34 34 LEU H H 29 7.986 8.068 -0.082 1
1 378 . 11 1 1 A 34 34 LEU CA C 29 51.600 52.102 -0.502 1
1 379 . 11 1 1 A 34 34 LEU HA H 29 4.760 4.714 0.046 1
1 380 . 11 1 1 A 34 34 LEU CB C 29 43.531 42.440 1.091 1
1 392 . 11 1 1 A 35 35 PRO CA C 30 62.741 62.314 0.427 1
1 393 . 11 1 1 A 35 35 PRO HA H 30 4.365 4.530 -0.165 1
1 394 . 11 1 1 A 35 35 PRO CB C 30 31.856 32.864 -1.008 1
1 402 . 11 1 1 A 35 35 PRO C C 30 177.334 177.106 0.228 1
1 403 . 11 1 1 A 36 36 LYS N N 31 117.589 121.020 -3.431 1
1 404 . 11 1 1 A 36 36 LYS H H 31 8.380 8.714 -0.334 1
1 405 . 11 1 1 A 36 36 LYS CA C 31 55.569 59.491 -3.922 1
1 406 . 11 1 1 A 36 36 LYS HA H 31 4.288 3.965 0.323 1
1 407 . 11 1 1 A 36 36 LYS CB C 31 33.225 32.108 1.117 1
1 417 . 11 1 1 A 36 36 LYS C C 31 174.406 176.791 -2.385 1
1 418 . 11 1 1 A 37 37 GLN N N 32 118.260 117.648 0.612 1
1 419 . 11 1 1 A 37 37 GLN H H 32 7.698 7.662 0.036 1
1 420 . 11 1 1 A 37 37 GLN CA C 32 55.716 55.067 0.649 1
1 421 . 11 1 1 A 37 37 GLN HA H 32 4.392 4.351 0.041 1
1 422 . 11 1 1 A 37 37 GLN CB C 32 28.251 29.897 -1.646 1
1 432 . 11 1 1 A 37 37 GLN C C 32 175.122 175.966 -0.844 1
1 433 . 11 1 1 A 38 38 GLY N N 33 109.855 108.347 1.508 1
1 434 . 11 1 1 A 38 38 GLY H H 33 8.449 8.707 -0.258 1
1 435 . 11 1 1 A 38 38 GLY CA C 33 43.315 45.328 -2.013 1
1 436 . 11 1 1 A 38 38 GLY HA2 H 33 4.600 4.125 0.475 1
1 437 . 11 1 1 A 38 38 GLY HA3 H 33 3.803 4.126 -0.323 1
1 438 . 11 1 1 A 38 38 GLY C C 33 173.537 174.215 -0.678 1
1 439 . 11 1 1 A 39 39 LYS N N 34 117.627 121.580 -3.953 1
1 440 . 11 1 1 A 39 39 LYS H H 34 8.649 8.204 0.445 1
1 441 . 11 1 1 A 39 39 LYS CA C 34 54.916 56.158 -1.242 1
1 442 . 11 1 1 A 39 39 LYS HA H 34 4.395 4.343 0.052 1
1 443 . 11 1 1 A 39 39 LYS CB C 34 32.893 33.193 -0.300 1
1 455 . 11 1 1 A 39 39 LYS C C 34 176.803 177.342 -0.539 1
1 456 . 11 1 1 A 40 40 LYS N N 35 121.705 119.507 2.198 1
1 457 . 11 1 1 A 40 40 LYS H H 35 8.920 8.879 0.041 1
1 458 . 11 1 1 A 40 40 LYS CA C 35 61.574 59.784 1.790 1
1 459 . 11 1 1 A 40 40 LYS HA H 35 3.599 3.915 -0.316 1
1 460 . 11 1 1 A 40 40 LYS CB C 35 31.924 32.139 -0.215 1
1 472 . 11 1 1 A 40 40 LYS C C 35 177.366 178.253 -0.887 1
1 473 . 11 1 1 A 41 41 GLN N N 36 114.634 118.877 -4.243 1
1 474 . 11 1 1 A 41 41 GLN H H 36 9.017 7.811 1.206 1
1 475 . 11 1 1 A 41 41 GLN CA C 36 57.636 58.640 -1.004 1
1 476 . 11 1 1 A 41 41 GLN HA H 36 3.731 4.055 -0.324 1
1 477 . 11 1 1 A 41 41 GLN CB C 36 27.865 28.427 -0.562 1
1 487 . 11 1 1 A 41 41 GLN C C 36 176.872 178.402 -1.530 1
1 488 . 11 1 1 A 42 42 ASP N N 37 115.980 120.008 -4.028 1
1 489 . 11 1 1 A 42 42 ASP H H 37 7.047 8.132 -1.085 1
1 490 . 11 1 1 A 42 42 ASP CA C 37 56.593 57.426 -0.833 1
1 491 . 11 1 1 A 42 42 ASP HA H 37 4.297 4.330 -0.033 1
1 492 . 11 1 1 A 42 42 ASP CB C 37 39.839 40.852 -1.013 1
1 495 . 11 1 1 A 42 42 ASP C C 37 178.454 179.021 -0.567 1
1 496 . 11 1 1 A 43 43 LEU N N 38 119.074 120.314 -1.240 1
1 497 . 11 1 1 A 43 43 LEU H H 38 7.725 8.262 -0.537 1
1 498 . 11 1 1 A 43 43 LEU CA C 38 57.713 58.006 -0.293 1
1 499 . 11 1 1 A 43 43 LEU HA H 38 3.787 3.954 -0.167 1
1 500 . 11 1 1 A 43 43 LEU CB C 38 40.214 42.197 -1.983 1
1 513 . 11 1 1 A 43 43 LEU C C 38 177.872 178.955 -1.083 1
1 514 . 11 1 1 A 44 44 ILE N N 39 118.343 118.339 0.004 1
1 515 . 11 1 1 A 44 44 ILE H H 39 7.867 8.123 -0.256 1
1 516 . 11 1 1 A 44 44 ILE CA C 39 66.090 65.504 0.586 1
1 517 . 11 1 1 A 44 44 ILE HA H 39 3.321 3.513 -0.192 1
1 518 . 11 1 1 A 44 44 ILE CB C 39 38.013 37.715 0.298 1
1 528 . 11 1 1 A 44 44 ILE C C 39 177.711 177.814 -0.103 1
1 529 . 11 1 1 A 45 45 ASP N N 40 118.533 120.406 -1.873 1
1 530 . 11 1 1 A 45 45 ASP H H 40 8.503 8.478 0.025 1
1 531 . 11 1 1 A 45 45 ASP CA C 40 57.009 57.260 -0.251 1
1 532 . 11 1 1 A 45 45 ASP HA H 40 4.272 4.429 -0.157 1
1 533 . 11 1 1 A 45 45 ASP CB C 40 39.419 41.593 -2.174 1
1 536 . 11 1 1 A 45 45 ASP C C 40 178.392 178.730 -0.338 1
1 537 . 11 1 1 A 46 46 ARG N N 41 120.911 119.310 1.601 1
1 538 . 11 1 1 A 46 46 ARG H H 41 7.717 7.781 -0.064 1
1 539 . 11 1 1 A 46 46 ARG CA C 41 59.048 59.657 -0.609 1
1 540 . 11 1 1 A 46 46 ARG HA H 41 3.991 4.049 -0.058 1
1 541 . 11 1 1 A 46 46 ARG CB C 41 29.817 30.780 -0.963 1
1 550 . 11 1 1 A 46 46 ARG C C 41 177.537 178.484 -0.947 1
1 551 . 11 1 1 A 47 47 VAL N N 42 117.438 119.523 -2.085 1
1 552 . 11 1 1 A 47 47 VAL H H 42 7.445 8.045 -0.600 1
1 553 . 11 1 1 A 47 47 VAL CA C 42 65.881 66.299 -0.418 1
1 554 . 11 1 1 A 47 47 VAL HA H 42 3.442 3.664 -0.222 1
1 555 . 11 1 1 A 47 47 VAL CB C 42 30.931 31.677 -0.746 1
1 565 . 11 1 1 A 47 47 VAL C C 42 177.671 178.021 -0.350 1
1 566 . 11 1 1 A 48 48 LEU N N 43 117.085 117.671 -0.586 1
1 567 . 11 1 1 A 48 48 LEU H H 43 8.466 8.155 0.311 1
1 568 . 11 1 1 A 48 48 LEU CA C 43 57.248 57.789 -0.541 1
1 569 . 11 1 1 A 48 48 LEU HA H 43 3.847 3.964 -0.117 1
1 570 . 11 1 1 A 48 48 LEU CB C 43 40.720 41.266 -0.546 1
1 583 . 11 1 1 A 48 48 LEU C C 43 179.581 179.668 -0.087 1
1 584 . 11 1 1 A 49 49 ALA N N 44 120.479 122.009 -1.530 1
1 585 . 11 1 1 A 49 49 ALA H H 44 7.953 7.987 -0.034 1
1 586 . 11 1 1 A 49 49 ALA CA C 44 53.997 54.780 -0.783 1
1 587 . 11 1 1 A 49 49 ALA HA H 44 4.123 4.103 0.020 1
1 591 . 11 1 1 A 49 49 ALA CB C 44 17.631 18.164 -0.533 1
1 592 . 11 1 1 A 49 49 ALA C C 44 178.926 179.427 -0.501 1
1 593 . 11 1 1 A 50 50 LEU N N 45 115.306 120.291 -4.985 1
1 594 . 11 1 1 A 50 50 LEU H H 45 7.428 7.717 -0.289 1
1 595 . 11 1 1 A 50 50 LEU CA C 45 55.652 57.598 -1.946 1
1 596 . 11 1 1 A 50 50 LEU HA H 45 4.219 4.110 0.109 1
1 597 . 11 1 1 A 50 50 LEU CB C 45 41.846 41.878 -0.032 1
1 610 . 11 1 1 A 50 50 LEU C C 45 177.840 178.744 -0.904 1
1 611 . 11 1 1 A 51 51 LEU N N 46 115.880 118.741 -2.861 1
1 612 . 11 1 1 A 51 51 LEU H H 46 7.642 8.021 -0.379 1
1 613 . 11 1 1 A 51 51 LEU CA C 46 54.693 56.492 -1.799 1
1 614 . 11 1 1 A 51 51 LEU HA H 46 4.265 4.172 0.093 1
1 615 . 11 1 1 A 51 51 LEU CB C 46 42.040 41.837 0.203 1
1 625 . 11 1 1 A 51 51 LEU C C 46 176.015 177.649 -1.634 1
1 626 . 11 1 1 A 52 52 THR N N 47 109.201 113.054 -3.853 1
1 627 . 11 1 1 A 52 52 THR H H 47 7.516 7.516 0.000 1
1 628 . 11 1 1 A 52 52 THR CA C 47 60.834 64.568 -3.734 1
1 629 . 11 1 1 A 52 52 THR HA H 47 4.348 4.288 0.060 1
1 630 . 11 1 1 A 52 52 THR CB C 47 69.704 69.368 0.336 1
1 636 . 11 1 1 A 52 52 THR C C 47 173.733 175.508 -1.775 1
1 637 . 11 1 1 A 53 53 ASP N N 48 122.188 119.294 2.894 1
1 638 . 11 1 1 A 53 53 ASP H H 48 8.280 8.228 0.052 1
1 639 . 11 1 1 A 53 53 ASP CA C 48 54.185 56.467 -2.282 1
1 640 . 11 1 1 A 53 53 ASP HA H 48 4.699 4.492 0.207 1
1 641 . 11 1 1 A 53 53 ASP CB C 48 40.749 40.345 0.404 1
1 645 . 11 1 1 A 53 53 ASP C C 48 176.000 176.697 -0.697 1
1 646 . 11 1 1 A 54 54 GLU N N 49 121.966 118.560 3.406 1
1 647 . 11 1 1 A 54 54 GLU H H 49 8.588 7.749 0.839 1
1 648 . 11 1 1 A 54 54 GLU CA C 49 56.604 55.543 1.061 1
1 649 . 11 1 1 A 54 54 GLU HA H 49 4.229 4.685 -0.456 1
1 650 . 11 1 1 A 54 54 GLU CB C 49 29.642 30.848 -1.206 1
1 656 . 11 1 1 A 54 54 GLU C C 49 176.589 176.761 -0.172 1
1 657 . 11 1 1 A 55 55 GLN N N 50 120.727 119.478 1.249 1
1 658 . 11 1 1 A 55 55 GLN H H 50 8.642 7.798 0.844 1
1 659 . 11 1 1 A 55 55 GLN CA C 50 56.165 56.745 -0.580 1
1 660 . 11 1 1 A 55 55 GLN HA H 50 4.226 4.104 0.122 1
1 661 . 11 1 1 A 55 55 GLN CB C 50 28.555 28.420 0.135 1
1 671 . 11 1 1 A 55 55 GLN C C 50 176.554 176.555 -0.001 1
1 672 . 11 1 1 A 56 56 GLY N N 51 109.357 107.754 1.603 1
1 673 . 11 1 1 A 56 56 GLY H H 51 8.519 7.372 1.147 1
1 674 . 11 1 1 A 56 56 GLY CA C 51 45.276 45.524 -0.248 1
1 675 . 11 1 1 A 56 56 GLY HA2 H 51 3.951 4.135 -0.184 1
1 676 . 11 1 1 A 56 56 GLY HA3 H 51 3.815 4.143 -0.328 1
1 677 . 11 1 1 A 56 56 GLY C C 51 174.146 175.213 -1.067 1
1 678 . 11 1 1 A 57 57 GLN N N 52 119.207 119.214 -0.007 1
1 679 . 11 1 1 A 57 57 GLN H H 52 8.263 8.389 -0.126 1
1 680 . 11 1 1 A 57 57 GLN CA C 52 55.650 59.048 -3.398 1
1 681 . 11 1 1 A 57 57 GLN HA H 52 4.217 3.927 0.290 1
1 682 . 11 1 1 A 57 57 GLN CB C 52 28.723 28.186 0.537 1
1 692 . 11 1 1 A 57 57 GLN C C 52 175.872 175.728 0.144 1
1 693 . 11 1 1 A 58 58 ARG N N 53 120.525 116.233 4.292 1
1 694 . 11 1 1 A 58 58 ARG H H 53 8.279 7.962 0.317 1
1 695 . 11 1 1 A 58 58 ARG CA C 53 55.854 57.006 -1.152 1
1 696 . 11 1 1 A 58 58 ARG HA H 53 4.204 4.074 0.130 1
1 697 . 11 1 1 A 58 58 ARG CB C 53 29.944 28.125 1.819 1
1 708 . 11 1 1 A 58 58 ARG C C 53 175.819 175.564 0.255 1
1 709 . 11 1 1 A 59 59 HIS N N 54 118.905 117.927 0.978 1
1 710 . 11 1 1 A 59 59 HIS H H 54 8.397 8.046 0.351 1
1 711 . 11 1 1 A 59 59 HIS CA C 54 55.130 56.817 -1.687 1
1 712 . 11 1 1 A 59 59 HIS HA H 54 4.554 4.717 -0.163 1
1 713 . 11 1 1 A 59 59 HIS CB C 54 28.953 31.244 -2.291 1
1 716 . 11 1 1 A 59 59 HIS C C 54 174.248 174.767 -0.519 1
1 717 . 11 1 1 A 60 60 HIS N N 55 119.527 112.142 7.385 1
1 718 . 11 1 1 A 60 60 HIS H H 55 8.493 7.922 0.571 1
1 719 . 11 1 1 A 60 60 HIS CA C 55 55.589 53.463 2.126 1
1 720 . 11 1 1 A 60 60 HIS HA H 55 4.553 4.328 0.225 1
1 721 . 11 1 1 A 60 60 HIS CB C 55 28.913 28.983 -0.070 1
1 724 . 11 1 1 A 60 60 HIS C C 55 174.759 173.136 1.623 1
1 725 . 11 1 1 A 61 61 GLY N N 56 110.215 108.575 1.640 1
1 726 . 11 1 1 A 61 61 GLY H H 56 8.604 8.546 0.058 1
1 727 . 11 1 1 A 61 61 GLY CA C 56 44.977 46.217 -1.240 1
1 728 . 11 1 1 A 61 61 GLY HA2 H 56 3.958 3.632 0.326 1
1 729 . 11 1 1 A 61 61 GLY HA3 H 56 3.833 3.828 0.005 1
1 730 . 11 1 1 A 61 61 GLY C C 56 173.752 174.099 -0.347 1
1 731 . 11 1 1 A 62 62 TRP N N 57 120.700 123.041 -2.341 1
1 732 . 11 1 1 A 62 62 TRP H H 57 8.175 7.501 0.674 1
1 733 . 11 1 1 A 62 62 TRP CA C 57 56.935 57.879 -0.944 1
1 734 . 11 1 1 A 62 62 TRP HA H 57 4.658 4.744 -0.086 1
1 735 . 11 1 1 A 62 62 TRP CB C 57 29.018 30.680 -1.662 1
1 750 . 11 1 1 A 62 62 TRP C C 57 176.442 177.012 -0.570 1
1 751 . 11 1 1 A 63 63 GLY N N 58 110.195 108.466 1.729 1
1 752 . 11 1 1 A 63 63 GLY H H 58 8.452 8.478 -0.026 1
1 753 . 11 1 1 A 63 63 GLY CA C 58 45.052 46.645 -1.593 1
1 754 . 11 1 1 A 63 63 GLY HA2 H 58 3.925 3.909 0.016 1
1 755 . 11 1 1 A 63 63 GLY HA3 H 58 3.833 4.005 -0.172 1
1 756 . 11 1 1 A 63 63 GLY C C 58 173.738 174.283 -0.545 1
1 757 . 11 1 1 A 64 64 ARG N N 59 120.374 118.784 1.590 1
1 758 . 11 1 1 A 64 64 ARG H H 59 8.136 8.138 -0.002 1
1 759 . 11 1 1 A 64 64 ARG CA C 59 55.779 57.356 -1.577 1
1 760 . 11 1 1 A 64 64 ARG HA H 59 4.287 3.929 0.358 1
1 761 . 11 1 1 A 64 64 ARG CB C 59 30.244 29.285 0.959 1
1 772 . 11 1 1 A 64 64 ARG C C 59 176.269 176.548 -0.279 1
1 773 . 11 1 1 A 65 65 LYS N N 60 121.590 115.683 5.907 1
1 774 . 11 1 1 A 65 65 LYS H H 60 8.483 8.047 0.436 1
1 775 . 11 1 1 A 65 65 LYS CA C 60 56.435 55.675 0.760 1
1 776 . 11 1 1 A 65 65 LYS HA H 60 4.226 4.451 -0.225 1
1 777 . 11 1 1 A 65 65 LYS CB C 60 32.259 33.164 -0.905 1
1 783 . 11 1 1 A 65 65 LYS C C 60 176.075 176.805 -0.730 1
1 784 . 11 1 1 A 66 66 ASN N N 61 118.654 119.031 -0.377 1
1 785 . 11 1 1 A 66 66 ASN H H 61 8.413 8.325 0.088 1
1 786 . 11 1 1 A 66 66 ASN CA C 61 53.042 53.043 -0.001 1
1 787 . 11 1 1 A 66 66 ASN HA H 61 4.651 4.618 0.033 1
1 788 . 11 1 1 A 66 66 ASN CB C 61 38.348 37.588 0.760 1
1 795 . 11 1 1 A 66 66 ASN C C 61 174.530 175.677 -1.147 1
1 796 . 11 1 1 A 67 67 SER N N 62 115.494 114.823 0.671 1
1 797 . 11 1 1 A 67 67 SER H H 62 8.289 8.667 -0.378 1
1 798 . 11 1 1 A 67 67 SER CA C 62 58.090 58.260 -0.170 1
1 799 . 11 1 1 A 67 67 SER HA H 62 4.294 4.345 -0.051 1
1 800 . 11 1 1 A 67 67 SER CB C 62 63.205 62.503 0.702 1
1 803 . 11 1 1 A 67 67 SER C C 62 173.894 175.119 -1.225 1
1 804 . 11 1 1 A 68 68 LEU N N 63 123.552 118.954 4.598 1
1 805 . 11 1 1 A 68 68 LEU H H 63 8.063 8.308 -0.245 1
1 806 . 11 1 1 A 68 68 LEU CA C 63 54.124 54.219 -0.095 1
1 807 . 11 1 1 A 68 68 LEU HA H 63 4.495 4.594 -0.099 1
1 808 . 11 1 1 A 68 68 LEU CB C 63 42.447 43.008 -0.561 1
1 821 . 11 1 1 A 68 68 LEU C C 63 176.587 176.390 0.197 1
1 822 . 11 1 1 A 69 69 THR N N 64 112.637 112.848 -0.211 1
1 823 . 11 1 1 A 69 69 THR H H 64 7.797 7.424 0.373 1
1 824 . 11 1 1 A 69 69 THR CA C 64 60.021 60.253 -0.232 1
1 825 . 11 1 1 A 69 69 THR HA H 64 4.490 4.637 -0.147 1
1 826 . 11 1 1 A 69 69 THR CB C 64 70.896 71.558 -0.662 1
1 832 . 11 1 1 A 69 69 THR C C 64 174.998 176.461 -1.463 1
1 833 . 11 1 1 A 70 70 LYS N N 65 120.128 122.003 -1.875 1
1 834 . 11 1 1 A 70 70 LYS H H 65 9.059 9.071 -0.012 1
1 835 . 11 1 1 A 70 70 LYS CA C 65 59.374 58.960 0.414 1
1 836 . 11 1 1 A 70 70 LYS HA H 65 3.941 3.991 -0.050 1
1 837 . 11 1 1 A 70 70 LYS CB C 65 31.830 31.852 -0.022 1
1 843 . 11 1 1 A 70 70 LYS C C 65 177.539 178.462 -0.923 1
1 844 . 11 1 1 A 71 71 GLU N N 66 117.667 119.423 -1.756 1
1 845 . 11 1 1 A 71 71 GLU H H 66 8.699 8.342 0.357 1
1 846 . 11 1 1 A 71 71 GLU CA C 66 60.307 59.050 1.257 1
1 847 . 11 1 1 A 71 71 GLU HA H 66 3.812 4.082 -0.270 1
1 848 . 11 1 1 A 71 71 GLU CB C 66 27.903 29.813 -1.910 1
1 855 . 11 1 1 A 71 71 GLU C C 66 178.499 179.076 -0.577 1
1 856 . 11 1 1 A 72 72 ALA N N 67 123.914 122.321 1.593 1
1 857 . 11 1 1 A 72 72 ALA H H 67 7.991 7.709 0.282 1
1 858 . 11 1 1 A 72 72 ALA CA C 67 54.601 55.061 -0.460 1
1 859 . 11 1 1 A 72 72 ALA HA H 67 4.116 4.120 -0.004 1
1 863 . 11 1 1 A 72 72 ALA CB C 67 18.288 18.524 -0.236 1
1 864 . 11 1 1 A 72 72 ALA C C 67 178.721 179.640 -0.919 1
1 865 . 11 1 1 A 73 73 VAL N N 68 119.435 117.865 1.570 1
1 866 . 11 1 1 A 73 73 VAL H H 68 8.045 8.150 -0.105 1
1 867 . 11 1 1 A 73 73 VAL CA C 68 66.211 66.624 -0.413 1
1 868 . 11 1 1 A 73 73 VAL HA H 68 3.470 3.564 -0.094 1
1 869 . 11 1 1 A 73 73 VAL CB C 68 31.103 31.472 -0.369 1
1 879 . 11 1 1 A 73 73 VAL C C 68 177.001 178.477 -1.476 1
1 880 . 11 1 1 A 74 74 ALA N N 69 120.667 121.585 -0.918 1
1 881 . 11 1 1 A 74 74 ALA H H 69 8.407 8.032 0.375 1
1 882 . 11 1 1 A 74 74 ALA CA C 69 54.687 55.114 -0.427 1
1 883 . 11 1 1 A 74 74 ALA HA H 69 3.981 4.144 -0.163 1
1 887 . 11 1 1 A 74 74 ALA CB C 69 18.048 18.237 -0.189 1
1 888 . 11 1 1 A 74 74 ALA C C 69 178.865 179.823 -0.958 1
1 889 . 11 1 1 A 75 75 LYS N N 70 118.628 118.189 0.439 1
1 890 . 11 1 1 A 75 75 LYS H H 70 7.930 7.965 -0.035 1
1 891 . 11 1 1 A 75 75 LYS CA C 70 58.914 59.843 -0.929 1
1 892 . 11 1 1 A 75 75 LYS HA H 70 4.105 4.062 0.043 1
1 893 . 11 1 1 A 75 75 LYS CB C 70 31.806 32.142 -0.336 1
1 903 . 11 1 1 A 75 75 LYS C C 70 177.409 179.206 -1.797 1
1 904 . 11 1 1 A 76 76 ILE N N 71 120.231 119.890 0.341 1
1 905 . 11 1 1 A 76 76 ILE H H 71 7.478 7.806 -0.328 1
1 906 . 11 1 1 A 76 76 ILE CA C 71 64.835 64.741 0.094 1
1 907 . 11 1 1 A 76 76 ILE HA H 71 3.973 3.789 0.184 1
1 908 . 11 1 1 A 76 76 ILE CB C 71 37.788 37.349 0.439 1
1 921 . 11 1 1 A 76 76 ILE C C 71 179.734 178.424 1.310 1
1 922 . 11 1 1 A 77 77 VAL N N 72 122.505 119.988 2.517 1
1 923 . 11 1 1 A 77 77 VAL H H 72 8.325 8.148 0.177 1
1 924 . 11 1 1 A 77 77 VAL CA C 72 67.425 66.858 0.567 1
1 925 . 11 1 1 A 77 77 VAL HA H 72 3.581 3.776 -0.195 1
1 926 . 11 1 1 A 77 77 VAL CB C 72 30.885 31.631 -0.746 1
1 936 . 11 1 1 A 77 77 VAL C C 72 176.939 177.765 -0.826 1
1 937 . 11 1 1 A 78 78 ASP N N 73 120.524 120.342 0.182 1
1 938 . 11 1 1 A 78 78 ASP H H 73 8.798 8.358 0.440 1
1 939 . 11 1 1 A 78 78 ASP CA C 73 58.163 56.916 1.247 1
1 940 . 11 1 1 A 78 78 ASP HA H 73 4.392 4.540 -0.148 1
1 941 . 11 1 1 A 78 78 ASP CB C 73 41.459 41.033 0.426 1
1 945 . 11 1 1 A 78 78 ASP C C 73 178.122 178.510 -0.388 1
1 946 . 11 1 1 A 79 79 ASP N N 74 119.762 119.803 -0.041 1
1 947 . 11 1 1 A 79 79 ASP H H 74 9.318 8.193 1.125 1
1 948 . 11 1 1 A 79 79 ASP CA C 74 57.122 57.270 -0.148 1
1 949 . 11 1 1 A 79 79 ASP HA H 74 4.405 4.372 0.033 1
1 950 . 11 1 1 A 79 79 ASP CB C 74 39.850 40.636 -0.786 1
1 954 . 11 1 1 A 79 79 ASP C C 74 178.921 178.616 0.305 1
1 955 . 11 1 1 A 80 80 THR N N 75 117.347 116.744 0.603 1
1 956 . 11 1 1 A 80 80 THR H H 75 8.084 8.240 -0.156 1
1 957 . 11 1 1 A 80 80 THR CA C 75 67.055 66.552 0.503 1
1 958 . 11 1 1 A 80 80 THR HA H 75 3.846 3.913 -0.067 1
1 959 . 11 1 1 A 80 80 THR CB C 75 67.692 68.127 -0.435 1
1 965 . 11 1 1 A 80 80 THR C C 75 175.367 175.618 -0.251 1
1 966 . 11 1 1 A 81 81 TYR N N 76 123.735 121.268 2.467 1
1 967 . 11 1 1 A 81 81 TYR H H 76 8.830 8.074 0.756 1
1 968 . 11 1 1 A 81 81 TYR CA C 76 61.712 61.778 -0.066 1
1 969 . 11 1 1 A 81 81 TYR HA H 76 4.269 4.124 0.145 1
1 970 . 11 1 1 A 81 81 TYR CB C 76 38.639 38.874 -0.235 1
1 974 . 11 1 1 A 81 81 TYR C C 76 176.700 177.856 -1.156 1
1 975 . 11 1 1 A 82 82 ARG N N 77 118.508 118.514 -0.006 1
1 976 . 11 1 1 A 82 82 ARG H H 77 8.755 8.698 0.057 1
1 977 . 11 1 1 A 82 82 ARG CA C 77 58.776 59.429 -0.653 1
1 978 . 11 1 1 A 82 82 ARG HA H 77 3.892 3.857 0.035 1
1 979 . 11 1 1 A 82 82 ARG CB C 77 29.459 30.170 -0.711 1
1 995 . 11 1 1 A 82 82 ARG C C 77 178.748 178.932 -0.184 1
1 996 . 11 1 1 A 83 83 LYS N N 78 118.075 120.314 -2.239 1
1 997 . 11 1 1 A 83 83 LYS H H 78 7.696 7.869 -0.173 1
1 998 . 11 1 1 A 83 83 LYS CA C 78 58.614 58.888 -0.274 1
1 999 . 11 1 1 A 83 83 LYS HA H 78 4.031 4.084 -0.053 1
1 1000 . 11 1 1 A 83 83 LYS CB C 78 32.055 31.831 0.224 1
1 1005 . 11 1 1 A 83 83 LYS C C 78 177.890 179.099 -1.209 1
1 1006 . 11 1 1 A 84 84 MET N N 79 118.233 117.914 0.319 1
1 1007 . 11 1 1 A 84 84 MET H H 79 7.748 8.068 -0.320 1
1 1008 . 11 1 1 A 84 84 MET CA C 79 57.254 58.719 -1.465 1
1 1009 . 11 1 1 A 84 84 MET HA H 79 4.189 4.109 0.080 1
1 1010 . 11 1 1 A 84 84 MET CB C 79 32.169 33.195 -1.026 1
1 1020 . 11 1 1 A 84 84 MET C C 79 177.036 177.009 0.027 1
1 1021 . 11 1 1 A 85 85 GLN N N 80 117.242 113.032 4.210 1
1 1022 . 11 1 1 A 85 85 GLN H H 80 7.843 7.373 0.470 1
1 1023 . 11 1 1 A 85 85 GLN CA C 80 56.500 54.724 1.776 1
1 1024 . 11 1 1 A 85 85 GLN HA H 80 3.993 4.481 -0.488 1
1 1025 . 11 1 1 A 85 85 GLN CB C 80 28.124 29.450 -1.326 1
1 1035 . 11 1 1 A 85 85 GLN C C 80 176.756 176.388 0.368 1
1 1036 . 11 1 1 A 86 86 ILE N N 81 119.178 114.719 4.459 1
1 1037 . 11 1 1 A 86 86 ILE H H 81 7.715 7.793 -0.078 1
1 1038 . 11 1 1 A 86 86 ILE CA C 81 61.995 63.639 -1.644 1
1 1039 . 11 1 1 A 86 86 ILE HA H 81 3.948 3.641 0.307 1
1 1040 . 11 1 1 A 86 86 ILE CB C 81 37.856 36.454 1.402 1
1 1052 . 11 1 1 A 86 86 ILE C C 81 176.728 175.306 1.422 1
1 1053 . 11 1 1 A 87 87 GLN N N 82 121.380 120.563 0.817 1
1 1054 . 11 1 1 A 87 87 GLN H H 82 8.164 8.393 -0.229 1
1 1055 . 11 1 1 A 87 87 GLN CA C 82 56.075 57.574 -1.499 1
1 1056 . 11 1 1 A 87 87 GLN HA H 82 4.227 4.250 -0.023 1
1 1057 . 11 1 1 A 87 87 GLN CB C 82 28.735 28.075 0.660 1
1 1066 . 11 1 1 A 87 87 GLN C C 82 175.836 175.998 -0.162 1
1 1067 . 11 1 1 A 88 88 CYS N N 83 118.668 123.628 -4.960 1
1 1068 . 11 1 1 A 88 88 CYS H H 83 8.238 8.976 -0.738 1
1 1069 . 11 1 1 A 88 88 CYS CA C 83 58.012 62.710 -4.698 1
1 1070 . 11 1 1 A 88 88 CYS HA H 83 4.475 4.164 0.311 1
1 1071 . 11 1 1 A 88 88 CYS CB C 83 27.697 27.783 -0.086 1
1 1074 . 11 1 1 A 88 88 CYS C C 83 173.428 174.658 -1.230 1
1 1075 . 11 1 1 A 89 89 ALA N N 84 127.014 121.160 5.854 1
1 1076 . 11 1 1 A 89 89 ALA H H 84 8.249 8.114 0.135 1
1 1077 . 11 1 1 A 89 89 ALA CA C 84 50.615 52.886 -2.271 1
1 1078 . 11 1 1 A 89 89 ALA HA H 84 4.562 4.231 0.331 1
1 1082 . 11 1 1 A 89 89 ALA CB C 84 17.465 17.365 0.100 1
1 1083 . 11 1 1 A 89 89 ALA C C 84 175.125 178.322 -3.197 1
1 1085 . 11 1 1 A 90 90 PRO CA C 85 63.085 63.594 -0.509 1
1 1086 . 11 1 1 A 90 90 PRO HA H 85 4.386 4.434 -0.048 1
1 1087 . 11 1 1 A 90 90 PRO CB C 85 31.491 32.170 -0.679 1
1 1095 . 11 1 1 A 90 90 PRO C C 85 176.381 176.983 -0.602 1
1 1096 . 11 1 1 A 91 91 ASP N N 86 119.209 119.329 -0.120 1
1 1097 . 11 1 1 A 91 91 ASP H H 86 8.429 8.113 0.316 1
1 1098 . 11 1 1 A 91 91 ASP CA C 86 53.752 54.906 -1.154 1
1 1099 . 11 1 1 A 91 91 ASP HA H 86 4.394 4.407 -0.013 1
1 1100 . 11 1 1 A 91 91 ASP CB C 86 40.319 39.240 1.079 1
1 1103 . 11 1 1 A 91 91 ASP C C 86 176.101 176.450 -0.349 1
1 1104 . 11 1 1 A 92 92 LEU N N 87 122.571 124.309 -1.738 1
1 1105 . 11 1 1 A 92 92 LEU H H 87 8.208 7.860 0.348 1
1 1106 . 11 1 1 A 92 92 LEU CA C 87 55.327 58.201 -2.874 1
1 1107 . 11 1 1 A 92 92 LEU HA H 87 4.205 4.101 0.104 1
1 1108 . 11 1 1 A 92 92 LEU CB C 87 41.636 41.297 0.339 1
1 1121 . 11 1 1 A 92 92 LEU C C 87 177.406 177.445 -0.039 1
1 1122 . 11 1 1 A 93 93 ALA N N 88 123.131 121.521 1.610 1
1 1123 . 11 1 1 A 93 93 ALA H H 88 8.305 7.659 0.646 1
1 1124 . 11 1 1 A 93 93 ALA CA C 88 52.823 51.372 1.451 1
1 1125 . 11 1 1 A 93 93 ALA HA H 88 4.245 4.461 -0.216 1
1 1129 . 11 1 1 A 93 93 ALA CB C 88 18.496 19.215 -0.719 1
1 1130 . 11 1 1 A 93 93 ALA C C 88 178.033 177.469 0.564 1
1 1131 . 11 1 1 A 94 94 THR N N 89 112.097 108.774 3.323 1
1 1132 . 11 1 1 A 94 94 THR H H 89 7.994 8.525 -0.531 1
1 1133 . 11 1 1 A 94 94 THR CA C 89 61.892 63.133 -1.241 1
1 1134 . 11 1 1 A 94 94 THR HA H 89 4.247 3.918 0.329 1
1 1135 . 11 1 1 A 94 94 THR CB C 89 69.076 66.545 2.531 1
1 1141 . 11 1 1 A 94 94 THR C C 89 174.478 173.812 0.666 1
1 1142 . 11 1 1 A 95 95 ARG N N 90 122.704 114.301 8.403 1
1 1143 . 11 1 1 A 95 95 ARG H H 90 8.211 8.392 -0.181 1
1 1144 . 11 1 1 A 95 95 ARG CA C 90 55.803 57.359 -1.556 1
1 1145 . 11 1 1 A 95 95 ARG HA H 90 4.336 4.384 -0.048 1
1 1146 . 11 1 1 A 95 95 ARG CB C 90 30.263 27.351 2.912 1
1 1157 . 11 1 1 A 95 95 ARG C C 90 175.958 176.295 -0.337 1
1 1158 . 11 1 1 A 96 96 SER N N 91 116.390 113.590 2.800 1
1 1159 . 11 1 1 A 96 96 SER H H 91 8.365 8.226 0.139 1
1 1160 . 11 1 1 A 96 96 SER CA C 91 58.011 61.947 -3.936 1
1 1161 . 11 1 1 A 96 96 SER HA H 91 4.383 4.327 0.056 1
1 1162 . 11 1 1 A 96 96 SER CB C 91 63.261 63.624 -0.363 1
1 1165 . 11 1 1 A 96 96 SER C C 91 174.016 176.317 -2.301 1
1 1166 . 11 1 1 A 97 97 HIS N N 92 120.507 117.789 2.718 1
1 1167 . 11 1 1 A 97 97 HIS H H 92 8.541 7.879 0.662 1
1 1168 . 11 1 1 A 97 97 HIS CA C 92 55.068 58.105 -3.037 1
1 1169 . 11 1 1 A 97 97 HIS HA H 92 4.707 4.453 0.254 1
1 1170 . 11 1 1 A 97 97 HIS CB C 92 28.839 30.968 -2.129 1
1 1173 . 11 1 1 A 97 97 HIS C C 92 174.186 175.566 -1.380 1
1 1174 . 11 1 1 A 98 98 SER N N 93 116.801 112.600 4.201 1
1 1175 . 11 1 1 A 98 98 SER H H 93 8.455 7.774 0.681 1
1 1176 . 11 1 1 A 98 98 SER CA C 93 58.046 57.600 0.446 1
1 1177 . 11 1 1 A 98 98 SER HA H 93 4.450 4.999 -0.549 1
1 1178 . 11 1 1 A 98 98 SER CB C 93 63.434 65.515 -2.081 1
1 1181 . 11 1 1 A 98 98 SER C C 93 174.553 173.875 0.678 1
1 1182 . 11 1 1 A 99 99 GLY N N 94 111.114 113.638 -2.524 1
1 1183 . 11 1 1 A 99 99 GLY H H 94 8.597 8.761 -0.164 1
1 1184 . 11 1 1 A 99 99 GLY CA C 94 44.888 44.631 0.257 1
1 1185 . 11 1 1 A 99 99 GLY HA2 H 94 3.998 4.112 -0.114 1
1 1186 . 11 1 1 A 99 99 GLY HA3 H 94 3.998 4.113 -0.115 1
1 1187 . 11 1 1 A 99 99 GLY C C 94 173.856 173.648 0.208 1
1 1188 . 11 1 1 A 100 100 SER N N 95 115.398 116.565 -1.167 1
1 1189 . 11 1 1 A 100 100 SER H H 95 8.311 8.336 -0.025 1
1 1190 . 11 1 1 A 100 100 SER CA C 95 57.909 57.608 0.301 1
1 1191 . 11 1 1 A 100 100 SER HA H 95 4.422 4.871 -0.449 1
1 1192 . 11 1 1 A 100 100 SER CB C 95 63.377 64.361 -0.984 1
1 1195 . 11 1 1 A 100 100 SER C C 95 173.695 174.556 -0.861 1
1 1196 . 11 1 1 A 101 101 ASP N N 96 121.810 121.861 -0.051 1
1 1197 . 11 1 1 A 101 101 ASP H H 96 8.380 8.210 0.170 1
1 1198 . 11 1 1 A 101 101 ASP CA C 96 53.797 54.385 -0.588 1
1 1199 . 11 1 1 A 101 101 ASP HA H 96 4.546 5.081 -0.535 1
1 1200 . 11 1 1 A 101 101 ASP CB C 96 40.440 42.323 -1.883 1
1 1203 . 11 1 1 A 101 101 ASP C C 96 175.547 176.846 -1.299 1
1 1204 . 11 1 1 A 102 102 PHE N N 97 120.706 117.014 3.692 1
1 1205 . 11 1 1 A 102 102 PHE H H 97 8.249 8.151 0.098 1
1 1206 . 11 1 1 A 102 102 PHE CA C 97 57.444 57.921 -0.477 1
1 1207 . 11 1 1 A 102 102 PHE HA H 97 4.546 4.657 -0.111 1
1 1208 . 11 1 1 A 102 102 PHE CB C 97 38.772 39.203 -0.431 1
1 1214 . 11 1 1 A 102 102 PHE C C 97 175.312 176.196 -0.884 1
1 1215 . 11 1 1 A 103 103 SER N N 98 116.992 111.405 5.587 1
1 1216 . 11 1 1 A 103 103 SER H H 98 8.167 7.857 0.310 1
1 1217 . 11 1 1 A 103 103 SER CA C 98 57.983 57.022 0.961 1
1 1218 . 11 1 1 A 103 103 SER HA H 98 4.314 4.741 -0.427 1
1 1219 . 11 1 1 A 103 103 SER CB C 98 63.384 62.947 0.437 1
1 1222 . 11 1 1 A 103 103 SER C C 98 173.286 173.842 -0.556 1
1 1223 . 11 1 1 A 104 104 PHE N N 99 122.000 119.100 2.900 1
1 1224 . 11 1 1 A 104 104 PHE H H 99 8.170 8.232 -0.062 1
1 1225 . 11 1 1 A 104 104 PHE CA C 99 57.354 56.775 0.579 1
1 1226 . 11 1 1 A 104 104 PHE HA H 99 4.545 4.858 -0.313 1
1 1227 . 11 1 1 A 104 104 PHE CB C 99 39.045 38.899 0.146 1
1 1233 . 11 1 1 A 104 104 PHE C C 99 174.621 175.775 -1.154 1
1 1234 . 11 1 1 A 105 105 ARG N N 100 124.796 118.027 6.769 1
1 1235 . 11 1 1 A 105 105 ARG H H 100 8.101 7.360 0.741 1
1 1236 . 11 1 1 A 105 105 ARG CA C 100 52.919 55.204 -2.285 1
1 1237 . 11 1 1 A 105 105 ARG HA H 100 4.542 4.403 0.139 1
1 1238 . 11 1 1 A 105 105 ARG CB C 100 29.973 30.198 -0.225 1
1 1247 . 11 1 1 A 105 105 ARG C C 100 172.924 175.717 -2.793 1
1 1249 . 11 1 1 A 106 106 PRO CA C 101 62.366 62.373 -0.007 1
1 1250 . 11 1 1 A 106 106 PRO HA H 101 4.349 4.708 -0.359 1
1 1251 . 11 1 1 A 106 106 PRO CB C 101 31.609 33.393 -1.784 1
1 1259 . 11 1 1 A 106 106 PRO C C 101 176.395 176.458 -0.063 1
1 1260 . 11 1 1 A 107 107 ILE N N 102 121.380 120.922 0.458 1
1 1261 . 11 1 1 A 107 107 ILE H H 102 8.350 8.496 -0.146 1
1 1262 . 11 1 1 A 107 107 ILE CA C 102 60.925 60.329 0.596 1
1 1263 . 11 1 1 A 107 107 ILE HA H 102 4.050 4.678 -0.628 1
1 1264 . 11 1 1 A 107 107 ILE CB C 102 38.165 38.855 -0.690 1
1 1277 . 11 1 1 A 107 107 ILE C C 102 175.990 176.419 -0.429 1
1 1278 . 11 1 1 A 108 108 GLU N N 103 124.836 123.257 1.579 1
1 1279 . 11 1 1 A 108 108 GLU H H 103 8.578 8.234 0.344 1
1 1280 . 11 1 1 A 108 108 GLU CA C 103 55.915 59.232 -3.317 1
1 1281 . 11 1 1 A 108 108 GLU HA H 103 4.279 3.941 0.338 1
1 1282 . 11 1 1 A 108 108 GLU CB C 103 29.902 30.314 -0.412 1
1 1288 . 11 1 1 A 108 108 GLU C C 103 175.678 176.424 -0.746 1
1 1289 . 11 1 1 A 109 109 GLU N N 104 122.847 115.356 7.491 1
1 1290 . 11 1 1 A 109 109 GLU H H 104 8.459 7.681 0.778 1
1 1291 . 11 1 1 A 109 109 GLU CA C 104 55.845 55.882 -0.037 1
1 1292 . 11 1 1 A 109 109 GLU HA H 104 4.273 4.674 -0.401 1
1 1293 . 11 1 1 A 109 109 GLU CB C 104 29.990 32.302 -2.312 1
1 1299 . 11 1 1 A 109 109 GLU C C 104 174.661 174.376 0.285 1
1 3 . 12 1 1 A 2 2 SER N N -4 115.528 113.408 2.120 1
1 4 . 12 1 1 A 2 2 SER H H -4 8.751 8.570 0.181 1
1 5 . 12 1 1 A 2 2 SER CA C -4 57.819 57.904 -0.085 1
1 6 . 12 1 1 A 2 2 SER HA H -4 4.461 4.536 -0.075 1
1 7 . 12 1 1 A 2 2 SER CB C -4 63.389 64.537 -1.148 1
1 8 . 12 1 1 A 2 2 SER C C -4 173.924 174.354 -0.430 1
1 9 . 12 1 1 A 3 3 HIS N N -3 120.998 117.312 3.686 1
1 10 . 12 1 1 A 3 3 HIS H H -3 8.769 7.563 1.206 1
1 11 . 12 1 1 A 3 3 HIS CA C -3 55.238 54.917 0.321 1
1 12 . 12 1 1 A 3 3 HIS HA H -3 4.703 4.661 0.042 1
1 13 . 12 1 1 A 3 3 HIS CB C -3 28.916 29.172 -0.256 1
1 16 . 12 1 1 A 3 3 HIS C C -3 174.207 174.438 -0.231 1
1 17 . 12 1 1 A 4 4 MET N N -2 122.227 118.873 3.354 1
1 18 . 12 1 1 A 4 4 MET H H -2 8.518 7.792 0.726 1
1 19 . 12 1 1 A 4 4 MET CA C -2 55.003 54.916 0.087 1
1 20 . 12 1 1 A 4 4 MET HA H -2 4.420 4.892 -0.472 1
1 21 . 12 1 1 A 4 4 MET CB C -2 32.578 33.427 -0.849 1
1 31 . 12 1 1 A 4 4 MET C C -2 175.475 174.642 0.833 1
1 49 . 12 1 1 A 7 7 ALA N N 2 124.543 123.613 0.930 1
1 50 . 12 1 1 A 7 7 ALA H H 2 8.453 8.096 0.357 1
1 51 . 12 1 1 A 7 7 ALA CA C 2 53.203 54.409 -1.206 1
1 52 . 12 1 1 A 7 7 ALA HA H 2 4.211 4.109 0.102 1
1 56 . 12 1 1 A 7 7 ALA CB C 2 18.387 18.224 0.163 1
1 57 . 12 1 1 A 7 7 ALA C C 2 178.091 179.636 -1.545 1
1 58 . 12 1 1 A 8 8 ASP N N 3 118.618 118.614 0.004 1
1 59 . 12 1 1 A 8 8 ASP H H 3 8.064 7.875 0.189 1
1 60 . 12 1 1 A 8 8 ASP CA C 3 54.381 57.306 -2.925 1
1 61 . 12 1 1 A 8 8 ASP HA H 3 4.551 4.481 0.070 1
1 62 . 12 1 1 A 8 8 ASP CB C 3 40.446 40.852 -0.406 1
1 65 . 12 1 1 A 8 8 ASP C C 3 176.662 178.461 -1.799 1
1 66 . 12 1 1 A 9 9 LEU N N 4 123.427 121.094 2.333 1
1 67 . 12 1 1 A 9 9 LEU H H 4 8.202 7.994 0.208 1
1 68 . 12 1 1 A 9 9 LEU CA C 4 57.491 57.904 -0.413 1
1 69 . 12 1 1 A 9 9 LEU HA H 4 4.084 4.039 0.045 1
1 70 . 12 1 1 A 9 9 LEU CB C 4 41.745 41.674 0.071 1
1 80 . 12 1 1 A 9 9 LEU C C 4 178.873 178.647 0.226 1
1 81 . 12 1 1 A 10 10 VAL N N 5 119.385 119.204 0.181 1
1 82 . 12 1 1 A 10 10 VAL H H 5 8.186 8.354 -0.168 1
1 83 . 12 1 1 A 10 10 VAL CA C 5 66.686 66.733 -0.047 1
1 84 . 12 1 1 A 10 10 VAL HA H 5 3.435 3.503 -0.068 1
1 85 . 12 1 1 A 10 10 VAL CB C 5 31.135 31.520 -0.385 1
1 95 . 12 1 1 A 10 10 VAL C C 5 177.408 177.627 -0.219 1
1 96 . 12 1 1 A 11 11 SER N N 6 115.027 115.819 -0.792 1
1 97 . 12 1 1 A 11 11 SER H H 6 8.252 8.062 0.190 1
1 98 . 12 1 1 A 11 11 SER CA C 6 61.229 62.095 -0.866 1
1 99 . 12 1 1 A 11 11 SER HA H 6 4.068 4.107 -0.039 1
1 100 . 12 1 1 A 11 11 SER CB C 6 62.054 62.702 -0.648 1
1 103 . 12 1 1 A 11 11 SER C C 6 176.036 176.413 -0.377 1
1 104 . 12 1 1 A 12 12 SER N N 7 115.144 115.936 -0.792 1
1 105 . 12 1 1 A 12 12 SER H H 7 8.053 7.906 0.147 1
1 106 . 12 1 1 A 12 12 SER CA C 7 60.212 61.605 -1.393 1
1 107 . 12 1 1 A 12 12 SER HA H 7 4.309 4.065 0.244 1
1 108 . 12 1 1 A 12 12 SER CB C 7 62.720 62.838 -0.118 1
1 111 . 12 1 1 A 12 12 SER C C 7 176.540 177.228 -0.688 1
1 112 . 12 1 1 A 13 13 CYS N N 8 118.211 119.195 -0.984 1
1 113 . 12 1 1 A 13 13 CYS H H 8 7.919 8.558 -0.639 1
1 114 . 12 1 1 A 13 13 CYS CA C 8 63.729 63.980 -0.251 1
1 115 . 12 1 1 A 13 13 CYS HA H 8 4.046 4.112 -0.066 1
1 116 . 12 1 1 A 13 13 CYS CB C 8 26.703 27.103 -0.400 1
1 119 . 12 1 1 A 13 13 CYS C C 8 175.645 176.956 -1.311 1
1 120 . 12 1 1 A 14 14 LYS N N 9 120.074 121.502 -1.428 1
1 121 . 12 1 1 A 14 14 LYS H H 9 8.632 8.102 0.530 1
1 122 . 12 1 1 A 14 14 LYS CA C 9 60.438 59.571 0.867 1
1 123 . 12 1 1 A 14 14 LYS HA H 9 3.668 3.974 -0.306 1
1 124 . 12 1 1 A 14 14 LYS CB C 9 31.655 32.006 -0.351 1
1 136 . 12 1 1 A 14 14 LYS C C 9 177.590 177.804 -0.214 1
1 137 . 12 1 1 A 15 15 ASP N N 10 117.611 119.420 -1.809 1
1 138 . 12 1 1 A 15 15 ASP H H 10 7.732 8.072 -0.340 1
1 139 . 12 1 1 A 15 15 ASP CA C 10 56.325 57.294 -0.969 1
1 140 . 12 1 1 A 15 15 ASP HA H 10 4.320 4.185 0.135 1
1 141 . 12 1 1 A 15 15 ASP CB C 10 40.092 41.640 -1.548 1
1 144 . 12 1 1 A 15 15 ASP C C 10 177.731 178.470 -0.739 1
1 145 . 12 1 1 A 16 16 LYS N N 11 117.878 119.199 -1.321 1
1 146 . 12 1 1 A 16 16 LYS H H 11 7.254 7.641 -0.387 1
1 147 . 12 1 1 A 16 16 LYS CA C 11 58.984 58.788 0.196 1
1 148 . 12 1 1 A 16 16 LYS HA H 11 3.662 3.334 0.328 1
1 149 . 12 1 1 A 16 16 LYS CB C 11 32.933 31.707 1.226 1
1 158 . 12 1 1 A 16 16 LYS C C 11 177.350 177.725 -0.375 1
1 159 . 12 1 1 A 17 17 LEU N N 12 115.652 121.623 -5.971 1
1 160 . 12 1 1 A 17 17 LEU H H 12 8.138 8.269 -0.131 1
1 161 . 12 1 1 A 17 17 LEU CA C 12 56.722 58.014 -1.292 1
1 162 . 12 1 1 A 17 17 LEU HA H 12 3.588 4.152 -0.564 1
1 163 . 12 1 1 A 17 17 LEU CB C 12 41.870 41.336 0.534 1
1 174 . 12 1 1 A 17 17 LEU C C 12 177.545 178.402 -0.857 1
1 175 . 12 1 1 A 18 18 ALA N N 13 116.045 120.779 -4.734 1
1 176 . 12 1 1 A 18 18 ALA H H 13 7.080 8.557 -1.477 1
1 177 . 12 1 1 A 18 18 ALA CA C 13 53.475 54.409 -0.934 1
1 178 . 12 1 1 A 18 18 ALA HA H 13 3.984 4.063 -0.079 1
1 182 . 12 1 1 A 18 18 ALA CB C 13 18.121 18.767 -0.646 1
1 183 . 12 1 1 A 18 18 ALA C C 13 178.298 179.689 -1.391 1
1 184 . 12 1 1 A 19 19 TYR N N 14 115.556 119.396 -3.840 1
1 185 . 12 1 1 A 19 19 TYR H H 14 7.675 7.502 0.173 1
1 186 . 12 1 1 A 19 19 TYR CA C 14 58.741 59.884 -1.143 1
1 187 . 12 1 1 A 19 19 TYR HA H 14 4.323 4.157 0.166 1
1 188 . 12 1 1 A 19 19 TYR CB C 14 38.610 39.243 -0.633 1
1 193 . 12 1 1 A 19 19 TYR C C 14 176.007 176.034 -0.027 1
1 194 . 12 1 1 A 20 20 PHE N N 15 118.275 119.456 -1.181 1
1 195 . 12 1 1 A 20 20 PHE H H 15 7.406 7.610 -0.204 1
1 196 . 12 1 1 A 20 20 PHE CA C 15 56.542 57.471 -0.929 1
1 197 . 12 1 1 A 20 20 PHE HA H 15 4.652 4.720 -0.068 1
1 198 . 12 1 1 A 20 20 PHE CB C 15 38.561 40.464 -1.903 1
1 202 . 12 1 1 A 20 20 PHE C C 15 176.160 175.885 0.275 1
1 203 . 12 1 1 A 21 21 ARG N N 16 119.140 123.720 -4.580 1
1 204 . 12 1 1 A 21 21 ARG H H 16 8.714 8.350 0.364 1
1 205 . 12 1 1 A 21 21 ARG CA C 16 54.474 55.811 -1.337 1
1 206 . 12 1 1 A 21 21 ARG HA H 16 4.747 4.398 0.349 1
1 207 . 12 1 1 A 21 21 ARG CB C 16 30.097 31.597 -1.500 1
1 223 . 12 1 1 A 21 21 ARG C C 16 177.095 177.743 -0.648 1
1 224 . 12 1 1 A 22 22 ILE N N 17 120.734 124.596 -3.862 1
1 225 . 12 1 1 A 22 22 ILE H H 17 8.708 8.816 -0.108 1
1 226 . 12 1 1 A 22 22 ILE CA C 17 65.114 64.834 0.280 1
1 227 . 12 1 1 A 22 22 ILE HA H 17 3.740 3.723 0.017 1
1 228 . 12 1 1 A 22 22 ILE CB C 17 36.768 37.711 -0.943 1
1 241 . 12 1 1 A 22 22 ILE C C 17 176.639 178.056 -1.417 1
1 242 . 12 1 1 A 23 23 LYS N N 18 118.184 121.426 -3.242 1
1 243 . 12 1 1 A 23 23 LYS H H 18 8.267 8.229 0.038 1
1 244 . 12 1 1 A 23 23 LYS CA C 18 59.978 59.722 0.256 1
1 245 . 12 1 1 A 23 23 LYS HA H 18 3.909 3.917 -0.008 1
1 246 . 12 1 1 A 23 23 LYS CB C 18 32.191 32.496 -0.305 1
1 258 . 12 1 1 A 23 23 LYS C C 18 178.185 178.835 -0.650 1
1 259 . 12 1 1 A 24 24 GLU N N 19 117.651 119.190 -1.539 1
1 260 . 12 1 1 A 24 24 GLU H H 19 7.198 8.024 -0.826 1
1 261 . 12 1 1 A 24 24 GLU CA C 19 60.601 59.131 1.470 1
1 262 . 12 1 1 A 24 24 GLU HA H 19 4.056 4.062 -0.006 1
1 263 . 12 1 1 A 24 24 GLU CB C 19 28.859 29.375 -0.516 1
1 269 . 12 1 1 A 24 24 GLU C C 19 178.542 179.176 -0.634 1
1 270 . 12 1 1 A 25 25 LEU N N 20 119.236 120.183 -0.947 1
1 271 . 12 1 1 A 25 25 LEU H H 20 7.980 8.266 -0.286 1
1 272 . 12 1 1 A 25 25 LEU CA C 20 57.812 58.019 -0.207 1
1 273 . 12 1 1 A 25 25 LEU HA H 20 3.947 4.017 -0.070 1
1 274 . 12 1 1 A 25 25 LEU CB C 20 42.172 41.258 0.914 1
1 281 . 12 1 1 A 25 25 LEU C C 20 178.081 179.415 -1.334 1
1 282 . 12 1 1 A 26 26 LYS N N 21 117.457 121.265 -3.808 1
1 283 . 12 1 1 A 26 26 LYS H H 21 8.770 8.439 0.331 1
1 284 . 12 1 1 A 26 26 LYS CA C 21 60.741 59.720 1.021 1
1 285 . 12 1 1 A 26 26 LYS HA H 21 3.806 3.948 -0.142 1
1 286 . 12 1 1 A 26 26 LYS CB C 21 31.876 32.017 -0.141 1
1 287 . 12 1 1 A 26 26 LYS C C 21 177.659 178.485 -0.826 1
1 288 . 12 1 1 A 27 27 ASP N N 22 119.023 119.716 -0.693 1
1 289 . 12 1 1 A 27 27 ASP H H 22 7.671 8.242 -0.571 1
1 290 . 12 1 1 A 27 27 ASP CA C 22 56.971 57.586 -0.615 1
1 291 . 12 1 1 A 27 27 ASP HA H 22 4.409 4.381 0.028 1
1 292 . 12 1 1 A 27 27 ASP CB C 22 40.196 41.512 -1.316 1
1 295 . 12 1 1 A 27 27 ASP C C 22 180.796 178.541 2.255 1
1 296 . 12 1 1 A 28 28 ILE N N 23 119.318 119.580 -0.262 1
1 297 . 12 1 1 A 28 28 ILE H H 23 8.039 7.821 0.218 1
1 298 . 12 1 1 A 28 28 ILE CA C 23 65.328 65.630 -0.302 1
1 299 . 12 1 1 A 28 28 ILE HA H 23 3.601 3.659 -0.058 1
1 300 . 12 1 1 A 28 28 ILE CB C 23 37.309 38.204 -0.895 1
1 313 . 12 1 1 A 28 28 ILE C C 23 177.251 178.352 -1.101 1
1 314 . 12 1 1 A 29 29 LEU N N 24 120.356 119.114 1.242 1
1 315 . 12 1 1 A 29 29 LEU H H 24 8.220 8.212 0.008 1
1 316 . 12 1 1 A 29 29 LEU CA C 24 58.535 58.058 0.477 1
1 317 . 12 1 1 A 29 29 LEU HA H 24 3.824 3.973 -0.149 1
1 318 . 12 1 1 A 29 29 LEU CB C 24 39.478 41.461 -1.983 1
1 326 . 12 1 1 A 29 29 LEU C C 24 178.599 178.721 -0.122 1
1 327 . 12 1 1 A 30 30 ASN N N 25 117.446 117.590 -0.144 1
1 328 . 12 1 1 A 30 30 ASN H H 25 8.687 8.652 0.035 1
1 329 . 12 1 1 A 30 30 ASN CA C 25 56.241 57.069 -0.828 1
1 330 . 12 1 1 A 30 30 ASN HA H 25 4.520 4.346 0.174 1
1 331 . 12 1 1 A 30 30 ASN CB C 25 38.899 38.808 0.091 1
1 338 . 12 1 1 A 30 30 ASN C C 25 178.958 177.909 1.049 1
1 339 . 12 1 1 A 31 31 GLN N N 26 119.946 118.029 1.917 1
1 340 . 12 1 1 A 31 31 GLN H H 26 8.184 7.849 0.335 1
1 341 . 12 1 1 A 31 31 GLN CA C 26 58.779 58.739 0.040 1
1 342 . 12 1 1 A 31 31 GLN HA H 26 4.055 4.030 0.025 1
1 343 . 12 1 1 A 31 31 GLN CB C 26 29.109 28.213 0.896 1
1 353 . 12 1 1 A 31 31 GLN C C 26 177.586 179.089 -1.503 1
1 354 . 12 1 1 A 32 32 LEU N N 27 116.979 118.031 -1.052 1
1 355 . 12 1 1 A 32 32 LEU H H 27 7.893 7.742 0.151 1
1 356 . 12 1 1 A 32 32 LEU CA C 27 54.393 55.490 -1.097 1
1 357 . 12 1 1 A 32 32 LEU HA H 27 4.240 4.399 -0.159 1
1 358 . 12 1 1 A 32 32 LEU CB C 27 42.566 43.082 -0.516 1
1 369 . 12 1 1 A 32 32 LEU C C 27 175.693 176.777 -1.084 1
1 370 . 12 1 1 A 33 33 GLY N N 28 108.299 107.634 0.665 1
1 371 . 12 1 1 A 33 33 GLY H H 28 7.834 7.476 0.358 1
1 372 . 12 1 1 A 33 33 GLY CA C 28 45.707 45.184 0.523 1
1 373 . 12 1 1 A 33 33 GLY HA2 H 28 3.952 3.988 -0.036 1
1 374 . 12 1 1 A 33 33 GLY HA3 H 28 3.952 3.989 -0.037 1
1 375 . 12 1 1 A 33 33 GLY C C 28 174.317 174.702 -0.385 1
1 376 . 12 1 1 A 34 34 LEU N N 29 120.833 113.281 7.552 1
1 377 . 12 1 1 A 34 34 LEU H H 29 7.986 8.580 -0.594 1
1 378 . 12 1 1 A 34 34 LEU CA C 29 51.600 55.580 -3.980 1
1 379 . 12 1 1 A 34 34 LEU HA H 29 4.760 3.995 0.765 1
1 380 . 12 1 1 A 34 34 LEU CB C 29 43.531 40.765 2.766 1
1 392 . 12 1 1 A 35 35 PRO CA C 30 62.741 63.434 -0.693 1
1 393 . 12 1 1 A 35 35 PRO HA H 30 4.365 4.455 -0.090 1
1 394 . 12 1 1 A 35 35 PRO CB C 30 31.856 31.846 0.010 1
1 402 . 12 1 1 A 35 35 PRO C C 30 177.334 177.744 -0.410 1
1 403 . 12 1 1 A 36 36 LYS N N 31 117.589 118.064 -0.475 1
1 404 . 12 1 1 A 36 36 LYS H H 31 8.380 8.282 0.098 1
1 405 . 12 1 1 A 36 36 LYS CA C 31 55.569 57.140 -1.571 1
1 406 . 12 1 1 A 36 36 LYS HA H 31 4.288 3.994 0.294 1
1 407 . 12 1 1 A 36 36 LYS CB C 31 33.225 30.122 3.103 1
1 417 . 12 1 1 A 36 36 LYS C C 31 174.406 175.815 -1.409 1
1 418 . 12 1 1 A 37 37 GLN N N 32 118.260 119.200 -0.940 1
1 419 . 12 1 1 A 37 37 GLN H H 32 7.698 7.845 -0.147 1
1 420 . 12 1 1 A 37 37 GLN CA C 32 55.716 55.920 -0.204 1
1 421 . 12 1 1 A 37 37 GLN HA H 32 4.392 4.337 0.055 1
1 422 . 12 1 1 A 37 37 GLN CB C 32 28.251 30.295 -2.044 1
1 432 . 12 1 1 A 37 37 GLN C C 32 175.122 176.193 -1.071 1
1 433 . 12 1 1 A 38 38 GLY N N 33 109.855 108.218 1.637 1
1 434 . 12 1 1 A 38 38 GLY H H 33 8.449 8.180 0.269 1
1 435 . 12 1 1 A 38 38 GLY CA C 33 43.315 44.721 -1.406 1
1 436 . 12 1 1 A 38 38 GLY HA2 H 33 4.600 4.082 0.518 1
1 437 . 12 1 1 A 38 38 GLY HA3 H 33 3.803 4.082 -0.279 1
1 438 . 12 1 1 A 38 38 GLY C C 33 173.537 173.670 -0.133 1
1 439 . 12 1 1 A 39 39 LYS N N 34 117.627 122.183 -4.556 1
1 440 . 12 1 1 A 39 39 LYS H H 34 8.649 8.208 0.441 1
1 441 . 12 1 1 A 39 39 LYS CA C 34 54.916 54.767 0.149 1
1 442 . 12 1 1 A 39 39 LYS HA H 34 4.395 4.581 -0.186 1
1 443 . 12 1 1 A 39 39 LYS CB C 34 32.893 34.228 -1.335 1
1 455 . 12 1 1 A 39 39 LYS C C 34 176.803 178.526 -1.723 1
1 456 . 12 1 1 A 40 40 LYS N N 35 121.705 123.053 -1.348 1
1 457 . 12 1 1 A 40 40 LYS H H 35 8.920 8.636 0.284 1
1 458 . 12 1 1 A 40 40 LYS CA C 35 61.574 59.119 2.455 1
1 459 . 12 1 1 A 40 40 LYS HA H 35 3.599 3.944 -0.345 1
1 460 . 12 1 1 A 40 40 LYS CB C 35 31.924 32.220 -0.296 1
1 472 . 12 1 1 A 40 40 LYS C C 35 177.366 178.110 -0.744 1
1 473 . 12 1 1 A 41 41 GLN N N 36 114.634 118.544 -3.910 1
1 474 . 12 1 1 A 41 41 GLN H H 36 9.017 7.836 1.181 1
1 475 . 12 1 1 A 41 41 GLN CA C 36 57.636 59.038 -1.402 1
1 476 . 12 1 1 A 41 41 GLN HA H 36 3.731 3.978 -0.247 1
1 477 . 12 1 1 A 41 41 GLN CB C 36 27.865 28.324 -0.459 1
1 487 . 12 1 1 A 41 41 GLN C C 36 176.872 178.743 -1.871 1
1 488 . 12 1 1 A 42 42 ASP N N 37 115.980 120.671 -4.691 1
1 489 . 12 1 1 A 42 42 ASP H H 37 7.047 7.933 -0.886 1
1 490 . 12 1 1 A 42 42 ASP CA C 37 56.593 57.227 -0.634 1
1 491 . 12 1 1 A 42 42 ASP HA H 37 4.297 4.455 -0.158 1
1 492 . 12 1 1 A 42 42 ASP CB C 37 39.839 41.314 -1.475 1
1 495 . 12 1 1 A 42 42 ASP C C 37 178.454 178.734 -0.280 1
1 496 . 12 1 1 A 43 43 LEU N N 38 119.074 120.714 -1.640 1
1 497 . 12 1 1 A 43 43 LEU H H 38 7.725 8.170 -0.445 1
1 498 . 12 1 1 A 43 43 LEU CA C 38 57.713 57.967 -0.254 1
1 499 . 12 1 1 A 43 43 LEU HA H 38 3.787 3.954 -0.167 1
1 500 . 12 1 1 A 43 43 LEU CB C 38 40.214 42.128 -1.914 1
1 513 . 12 1 1 A 43 43 LEU C C 38 177.872 179.075 -1.203 1
1 514 . 12 1 1 A 44 44 ILE N N 39 118.343 118.487 -0.144 1
1 515 . 12 1 1 A 44 44 ILE H H 39 7.867 8.224 -0.357 1
1 516 . 12 1 1 A 44 44 ILE CA C 39 66.090 65.833 0.257 1
1 517 . 12 1 1 A 44 44 ILE HA H 39 3.321 3.486 -0.165 1
1 518 . 12 1 1 A 44 44 ILE CB C 39 38.013 37.780 0.233 1
1 528 . 12 1 1 A 44 44 ILE C C 39 177.711 177.827 -0.116 1
1 529 . 12 1 1 A 45 45 ASP N N 40 118.533 120.616 -2.083 1
1 530 . 12 1 1 A 45 45 ASP H H 40 8.503 8.143 0.360 1
1 531 . 12 1 1 A 45 45 ASP CA C 40 57.009 57.296 -0.287 1
1 532 . 12 1 1 A 45 45 ASP HA H 40 4.272 4.441 -0.169 1
1 533 . 12 1 1 A 45 45 ASP CB C 40 39.419 41.851 -2.432 1
1 536 . 12 1 1 A 45 45 ASP C C 40 178.392 178.716 -0.324 1
1 537 . 12 1 1 A 46 46 ARG N N 41 120.911 119.640 1.271 1
1 538 . 12 1 1 A 46 46 ARG H H 41 7.717 7.963 -0.246 1
1 539 . 12 1 1 A 46 46 ARG CA C 41 59.048 59.712 -0.664 1
1 540 . 12 1 1 A 46 46 ARG HA H 41 3.991 4.057 -0.066 1
1 541 . 12 1 1 A 46 46 ARG CB C 41 29.817 30.878 -1.061 1
1 550 . 12 1 1 A 46 46 ARG C C 41 177.537 178.515 -0.978 1
1 551 . 12 1 1 A 47 47 VAL N N 42 117.438 119.663 -2.225 1
1 552 . 12 1 1 A 47 47 VAL H H 42 7.445 8.212 -0.767 1
1 553 . 12 1 1 A 47 47 VAL CA C 42 65.881 66.464 -0.583 1
1 554 . 12 1 1 A 47 47 VAL HA H 42 3.442 3.667 -0.225 1
1 555 . 12 1 1 A 47 47 VAL CB C 42 30.931 31.703 -0.772 1
1 565 . 12 1 1 A 47 47 VAL C C 42 177.671 178.170 -0.499 1
1 566 . 12 1 1 A 48 48 LEU N N 43 117.085 117.705 -0.620 1
1 567 . 12 1 1 A 48 48 LEU H H 43 8.466 8.145 0.321 1
1 568 . 12 1 1 A 48 48 LEU CA C 43 57.248 57.866 -0.618 1
1 569 . 12 1 1 A 48 48 LEU HA H 43 3.847 3.928 -0.081 1
1 570 . 12 1 1 A 48 48 LEU CB C 43 40.720 41.200 -0.480 1
1 583 . 12 1 1 A 48 48 LEU C C 43 179.581 179.505 0.076 1
1 584 . 12 1 1 A 49 49 ALA N N 44 120.479 122.008 -1.529 1
1 585 . 12 1 1 A 49 49 ALA H H 44 7.953 8.004 -0.051 1
1 586 . 12 1 1 A 49 49 ALA CA C 44 53.997 54.408 -0.411 1
1 587 . 12 1 1 A 49 49 ALA HA H 44 4.123 4.121 0.002 1
1 591 . 12 1 1 A 49 49 ALA CB C 44 17.631 18.294 -0.663 1
1 592 . 12 1 1 A 49 49 ALA C C 44 178.926 179.600 -0.674 1
1 593 . 12 1 1 A 50 50 LEU N N 45 115.306 120.554 -5.248 1
1 594 . 12 1 1 A 50 50 LEU H H 45 7.428 7.825 -0.397 1
1 595 . 12 1 1 A 50 50 LEU CA C 45 55.652 57.667 -2.015 1
1 596 . 12 1 1 A 50 50 LEU HA H 45 4.219 4.106 0.113 1
1 597 . 12 1 1 A 50 50 LEU CB C 45 41.846 41.806 0.040 1
1 610 . 12 1 1 A 50 50 LEU C C 45 177.840 178.756 -0.916 1
1 611 . 12 1 1 A 51 51 LEU N N 46 115.880 118.653 -2.773 1
1 612 . 12 1 1 A 51 51 LEU H H 46 7.642 7.934 -0.292 1
1 613 . 12 1 1 A 51 51 LEU CA C 46 54.693 56.190 -1.497 1
1 614 . 12 1 1 A 51 51 LEU HA H 46 4.265 4.201 0.064 1
1 615 . 12 1 1 A 51 51 LEU CB C 46 42.040 41.769 0.271 1
1 625 . 12 1 1 A 51 51 LEU C C 46 176.015 177.536 -1.521 1
1 626 . 12 1 1 A 52 52 THR N N 47 109.201 112.521 -3.320 1
1 627 . 12 1 1 A 52 52 THR H H 47 7.516 7.428 0.088 1
1 628 . 12 1 1 A 52 52 THR CA C 47 60.834 64.471 -3.637 1
1 629 . 12 1 1 A 52 52 THR HA H 47 4.348 4.291 0.057 1
1 630 . 12 1 1 A 52 52 THR CB C 47 69.704 69.438 0.266 1
1 636 . 12 1 1 A 52 52 THR C C 47 173.733 175.285 -1.552 1
1 637 . 12 1 1 A 53 53 ASP N N 48 122.188 118.544 3.644 1
1 638 . 12 1 1 A 53 53 ASP H H 48 8.280 8.064 0.216 1
1 639 . 12 1 1 A 53 53 ASP CA C 48 54.185 55.973 -1.788 1
1 640 . 12 1 1 A 53 53 ASP HA H 48 4.699 4.526 0.173 1
1 641 . 12 1 1 A 53 53 ASP CB C 48 40.749 40.437 0.312 1
1 645 . 12 1 1 A 53 53 ASP C C 48 176.000 176.720 -0.720 1
1 646 . 12 1 1 A 54 54 GLU N N 49 121.966 118.781 3.185 1
1 647 . 12 1 1 A 54 54 GLU H H 49 8.588 7.758 0.830 1
1 648 . 12 1 1 A 54 54 GLU CA C 49 56.604 55.478 1.126 1
1 649 . 12 1 1 A 54 54 GLU HA H 49 4.229 4.567 -0.338 1
1 650 . 12 1 1 A 54 54 GLU CB C 49 29.642 30.808 -1.166 1
1 656 . 12 1 1 A 54 54 GLU C C 49 176.589 176.680 -0.091 1
1 657 . 12 1 1 A 55 55 GLN N N 50 120.727 118.911 1.816 1
1 658 . 12 1 1 A 55 55 GLN H H 50 8.642 7.898 0.744 1
1 659 . 12 1 1 A 55 55 GLN CA C 50 56.165 55.552 0.613 1
1 660 . 12 1 1 A 55 55 GLN HA H 50 4.226 4.173 0.053 1
1 661 . 12 1 1 A 55 55 GLN CB C 50 28.555 29.008 -0.453 1
1 671 . 12 1 1 A 55 55 GLN C C 50 176.554 176.256 0.298 1
1 672 . 12 1 1 A 56 56 GLY N N 51 109.357 108.413 0.944 1
1 673 . 12 1 1 A 56 56 GLY H H 51 8.519 7.661 0.858 1
1 674 . 12 1 1 A 56 56 GLY CA C 51 45.276 45.238 0.038 1
1 675 . 12 1 1 A 56 56 GLY HA2 H 51 3.951 3.748 0.203 1
1 676 . 12 1 1 A 56 56 GLY HA3 H 51 3.815 3.912 -0.097 1
1 677 . 12 1 1 A 56 56 GLY C C 51 174.146 174.858 -0.712 1
1 678 . 12 1 1 A 57 57 GLN N N 52 119.207 117.050 2.157 1
1 679 . 12 1 1 A 57 57 GLN H H 52 8.263 8.359 -0.096 1
1 680 . 12 1 1 A 57 57 GLN CA C 52 55.650 57.352 -1.702 1
1 681 . 12 1 1 A 57 57 GLN HA H 52 4.217 4.016 0.201 1
1 682 . 12 1 1 A 57 57 GLN CB C 52 28.723 26.960 1.763 1
1 692 . 12 1 1 A 57 57 GLN C C 52 175.872 175.111 0.761 1
1 693 . 12 1 1 A 58 58 ARG N N 53 120.525 110.887 9.638 1
1 694 . 12 1 1 A 58 58 ARG H H 53 8.279 8.455 -0.176 1
1 695 . 12 1 1 A 58 58 ARG CA C 53 55.854 57.252 -1.398 1
1 696 . 12 1 1 A 58 58 ARG HA H 53 4.204 4.008 0.196 1
1 697 . 12 1 1 A 58 58 ARG CB C 53 29.944 26.956 2.988 1
1 708 . 12 1 1 A 58 58 ARG C C 53 175.819 175.760 0.059 1
1 709 . 12 1 1 A 59 59 HIS N N 54 118.905 117.119 1.786 1
1 710 . 12 1 1 A 59 59 HIS H H 54 8.397 7.952 0.445 1
1 711 . 12 1 1 A 59 59 HIS CA C 54 55.130 57.079 -1.949 1
1 712 . 12 1 1 A 59 59 HIS HA H 54 4.554 4.956 -0.402 1
1 713 . 12 1 1 A 59 59 HIS CB C 54 28.953 31.770 -2.817 1
1 716 . 12 1 1 A 59 59 HIS C C 54 174.248 174.738 -0.490 1
1 717 . 12 1 1 A 60 60 HIS N N 55 119.527 112.773 6.754 1
1 718 . 12 1 1 A 60 60 HIS H H 55 8.493 7.753 0.740 1
1 719 . 12 1 1 A 60 60 HIS CA C 55 55.589 53.907 1.682 1
1 720 . 12 1 1 A 60 60 HIS HA H 55 4.553 4.621 -0.068 1
1 721 . 12 1 1 A 60 60 HIS CB C 55 28.913 32.273 -3.360 1
1 724 . 12 1 1 A 60 60 HIS C C 55 174.759 173.820 0.939 1
1 725 . 12 1 1 A 61 61 GLY N N 56 110.215 107.024 3.191 1
1 726 . 12 1 1 A 61 61 GLY H H 56 8.604 7.535 1.069 1
1 727 . 12 1 1 A 61 61 GLY CA C 56 44.977 44.940 0.037 1
1 728 . 12 1 1 A 61 61 GLY HA2 H 56 3.958 3.688 0.270 1
1 729 . 12 1 1 A 61 61 GLY HA3 H 56 3.833 3.700 0.133 1
1 730 . 12 1 1 A 61 61 GLY C C 56 173.752 174.507 -0.755 1
1 731 . 12 1 1 A 62 62 TRP N N 57 120.700 117.750 2.950 1
1 732 . 12 1 1 A 62 62 TRP H H 57 8.175 7.223 0.952 1
1 733 . 12 1 1 A 62 62 TRP CA C 57 56.935 58.004 -1.069 1
1 734 . 12 1 1 A 62 62 TRP HA H 57 4.658 4.805 -0.147 1
1 735 . 12 1 1 A 62 62 TRP CB C 57 29.018 30.876 -1.858 1
1 750 . 12 1 1 A 62 62 TRP C C 57 176.442 177.211 -0.769 1
1 751 . 12 1 1 A 63 63 GLY N N 58 110.195 108.544 1.651 1
1 752 . 12 1 1 A 63 63 GLY H H 58 8.452 8.547 -0.095 1
1 753 . 12 1 1 A 63 63 GLY CA C 58 45.052 46.693 -1.641 1
1 754 . 12 1 1 A 63 63 GLY HA2 H 58 3.925 4.009 -0.084 1
1 755 . 12 1 1 A 63 63 GLY HA3 H 58 3.833 4.101 -0.268 1
1 756 . 12 1 1 A 63 63 GLY C C 58 173.738 174.343 -0.605 1
1 757 . 12 1 1 A 64 64 ARG N N 59 120.374 118.930 1.444 1
1 758 . 12 1 1 A 64 64 ARG H H 59 8.136 8.212 -0.076 1
1 759 . 12 1 1 A 64 64 ARG CA C 59 55.779 57.097 -1.318 1
1 760 . 12 1 1 A 64 64 ARG HA H 59 4.287 4.086 0.201 1
1 761 . 12 1 1 A 64 64 ARG CB C 59 30.244 29.290 0.954 1
1 772 . 12 1 1 A 64 64 ARG C C 59 176.269 175.072 1.197 1
1 773 . 12 1 1 A 65 65 LYS N N 60 121.590 112.873 8.717 1
1 774 . 12 1 1 A 65 65 LYS H H 60 8.483 8.481 0.002 1
1 775 . 12 1 1 A 65 65 LYS CA C 60 56.435 57.242 -0.807 1
1 776 . 12 1 1 A 65 65 LYS HA H 60 4.226 3.986 0.240 1
1 777 . 12 1 1 A 65 65 LYS CB C 60 32.259 29.935 2.324 1
1 783 . 12 1 1 A 65 65 LYS C C 60 176.075 176.890 -0.815 1
1 784 . 12 1 1 A 66 66 ASN N N 61 118.654 117.044 1.610 1
1 785 . 12 1 1 A 66 66 ASN H H 61 8.413 8.276 0.137 1
1 786 . 12 1 1 A 66 66 ASN CA C 61 53.042 52.240 0.802 1
1 787 . 12 1 1 A 66 66 ASN HA H 61 4.651 4.685 -0.034 1
1 788 . 12 1 1 A 66 66 ASN CB C 61 38.348 37.662 0.686 1
1 795 . 12 1 1 A 66 66 ASN C C 61 174.530 175.847 -1.317 1
1 796 . 12 1 1 A 67 67 SER N N 62 115.494 114.224 1.270 1
1 797 . 12 1 1 A 67 67 SER H H 62 8.289 8.088 0.201 1
1 798 . 12 1 1 A 67 67 SER CA C 62 58.090 59.210 -1.120 1
1 799 . 12 1 1 A 67 67 SER HA H 62 4.294 4.131 0.163 1
1 800 . 12 1 1 A 67 67 SER CB C 62 63.205 61.869 1.336 1
1 803 . 12 1 1 A 67 67 SER C C 62 173.894 175.145 -1.251 1
1 804 . 12 1 1 A 68 68 LEU N N 63 123.552 118.360 5.192 1
1 805 . 12 1 1 A 68 68 LEU H H 63 8.063 7.870 0.193 1
1 806 . 12 1 1 A 68 68 LEU CA C 63 54.124 54.046 0.078 1
1 807 . 12 1 1 A 68 68 LEU HA H 63 4.495 4.608 -0.113 1
1 808 . 12 1 1 A 68 68 LEU CB C 63 42.447 42.691 -0.244 1
1 821 . 12 1 1 A 68 68 LEU C C 63 176.587 175.864 0.723 1
1 822 . 12 1 1 A 69 69 THR N N 64 112.637 110.147 2.490 1
1 823 . 12 1 1 A 69 69 THR H H 64 7.797 7.434 0.363 1
1 824 . 12 1 1 A 69 69 THR CA C 64 60.021 59.645 0.376 1
1 825 . 12 1 1 A 69 69 THR HA H 64 4.490 4.696 -0.206 1
1 826 . 12 1 1 A 69 69 THR CB C 64 70.896 72.062 -1.166 1
1 832 . 12 1 1 A 69 69 THR C C 64 174.998 175.052 -0.054 1
1 833 . 12 1 1 A 70 70 LYS N N 65 120.128 121.537 -1.409 1
1 834 . 12 1 1 A 70 70 LYS H H 65 9.059 9.175 -0.116 1
1 835 . 12 1 1 A 70 70 LYS CA C 65 59.374 59.841 -0.467 1
1 836 . 12 1 1 A 70 70 LYS HA H 65 3.941 3.947 -0.006 1
1 837 . 12 1 1 A 70 70 LYS CB C 65 31.830 32.139 -0.309 1
1 843 . 12 1 1 A 70 70 LYS C C 65 177.539 178.721 -1.182 1
1 844 . 12 1 1 A 71 71 GLU N N 66 117.667 120.487 -2.820 1
1 845 . 12 1 1 A 71 71 GLU H H 66 8.699 8.612 0.087 1
1 846 . 12 1 1 A 71 71 GLU CA C 66 60.307 59.045 1.262 1
1 847 . 12 1 1 A 71 71 GLU HA H 66 3.812 4.111 -0.299 1
1 848 . 12 1 1 A 71 71 GLU CB C 66 27.903 29.680 -1.777 1
1 855 . 12 1 1 A 71 71 GLU C C 66 178.499 179.003 -0.504 1
1 856 . 12 1 1 A 72 72 ALA N N 67 123.914 122.127 1.787 1
1 857 . 12 1 1 A 72 72 ALA H H 67 7.991 7.244 0.747 1
1 858 . 12 1 1 A 72 72 ALA CA C 67 54.601 54.744 -0.143 1
1 859 . 12 1 1 A 72 72 ALA HA H 67 4.116 4.098 0.018 1
1 863 . 12 1 1 A 72 72 ALA CB C 67 18.288 19.122 -0.834 1
1 864 . 12 1 1 A 72 72 ALA C C 67 178.721 179.335 -0.614 1
1 865 . 12 1 1 A 73 73 VAL N N 68 119.435 118.123 1.312 1
1 866 . 12 1 1 A 73 73 VAL H H 68 8.045 8.067 -0.022 1
1 867 . 12 1 1 A 73 73 VAL CA C 68 66.211 66.564 -0.353 1
1 868 . 12 1 1 A 73 73 VAL HA H 68 3.470 3.563 -0.093 1
1 869 . 12 1 1 A 73 73 VAL CB C 68 31.103 31.590 -0.487 1
1 879 . 12 1 1 A 73 73 VAL C C 68 177.001 178.489 -1.488 1
1 880 . 12 1 1 A 74 74 ALA N N 69 120.667 121.462 -0.795 1
1 881 . 12 1 1 A 74 74 ALA H H 69 8.407 8.425 -0.018 1
1 882 . 12 1 1 A 74 74 ALA CA C 69 54.687 55.113 -0.426 1
1 883 . 12 1 1 A 74 74 ALA HA H 69 3.981 4.138 -0.157 1
1 887 . 12 1 1 A 74 74 ALA CB C 69 18.048 18.233 -0.185 1
1 888 . 12 1 1 A 74 74 ALA C C 69 178.865 179.748 -0.883 1
1 889 . 12 1 1 A 75 75 LYS N N 70 118.628 118.190 0.438 1
1 890 . 12 1 1 A 75 75 LYS H H 70 7.930 7.928 0.002 1
1 891 . 12 1 1 A 75 75 LYS CA C 70 58.914 59.913 -0.999 1
1 892 . 12 1 1 A 75 75 LYS HA H 70 4.105 4.035 0.070 1
1 893 . 12 1 1 A 75 75 LYS CB C 70 31.806 32.141 -0.335 1
1 903 . 12 1 1 A 75 75 LYS C C 70 177.409 179.179 -1.770 1
1 904 . 12 1 1 A 76 76 ILE N N 71 120.231 119.906 0.325 1
1 905 . 12 1 1 A 76 76 ILE H H 71 7.478 7.823 -0.345 1
1 906 . 12 1 1 A 76 76 ILE CA C 71 64.835 64.736 0.099 1
1 907 . 12 1 1 A 76 76 ILE HA H 71 3.973 3.781 0.192 1
1 908 . 12 1 1 A 76 76 ILE CB C 71 37.788 37.430 0.358 1
1 921 . 12 1 1 A 76 76 ILE C C 71 179.734 178.330 1.404 1
1 922 . 12 1 1 A 77 77 VAL N N 72 122.505 119.945 2.560 1
1 923 . 12 1 1 A 77 77 VAL H H 72 8.325 8.143 0.182 1
1 924 . 12 1 1 A 77 77 VAL CA C 72 67.425 66.772 0.653 1
1 925 . 12 1 1 A 77 77 VAL HA H 72 3.581 4.062 -0.481 1
1 926 . 12 1 1 A 77 77 VAL CB C 72 30.885 31.618 -0.733 1
1 936 . 12 1 1 A 77 77 VAL C C 72 176.939 177.971 -1.032 1
1 937 . 12 1 1 A 78 78 ASP N N 73 120.524 120.771 -0.247 1
1 938 . 12 1 1 A 78 78 ASP H H 73 8.798 8.351 0.447 1
1 939 . 12 1 1 A 78 78 ASP CA C 73 58.163 56.953 1.210 1
1 940 . 12 1 1 A 78 78 ASP HA H 73 4.392 4.518 -0.126 1
1 941 . 12 1 1 A 78 78 ASP CB C 73 41.459 41.099 0.360 1
1 945 . 12 1 1 A 78 78 ASP C C 73 178.122 178.542 -0.420 1
1 946 . 12 1 1 A 79 79 ASP N N 74 119.762 119.959 -0.197 1
1 947 . 12 1 1 A 79 79 ASP H H 74 9.318 8.185 1.133 1
1 948 . 12 1 1 A 79 79 ASP CA C 74 57.122 57.327 -0.205 1
1 949 . 12 1 1 A 79 79 ASP HA H 74 4.405 4.394 0.011 1
1 950 . 12 1 1 A 79 79 ASP CB C 74 39.850 40.724 -0.874 1
1 954 . 12 1 1 A 79 79 ASP C C 74 178.921 178.763 0.158 1
1 955 . 12 1 1 A 80 80 THR N N 75 117.347 116.286 1.061 1
1 956 . 12 1 1 A 80 80 THR H H 75 8.084 8.395 -0.311 1
1 957 . 12 1 1 A 80 80 THR CA C 75 67.055 66.276 0.779 1
1 958 . 12 1 1 A 80 80 THR HA H 75 3.846 3.877 -0.031 1
1 959 . 12 1 1 A 80 80 THR CB C 75 67.692 68.103 -0.411 1
1 965 . 12 1 1 A 80 80 THR C C 75 175.367 176.026 -0.659 1
1 966 . 12 1 1 A 81 81 TYR N N 76 123.735 120.895 2.840 1
1 967 . 12 1 1 A 81 81 TYR H H 76 8.830 8.390 0.440 1
1 968 . 12 1 1 A 81 81 TYR CA C 76 61.712 61.883 -0.171 1
1 969 . 12 1 1 A 81 81 TYR HA H 76 4.269 4.306 -0.037 1
1 970 . 12 1 1 A 81 81 TYR CB C 76 38.639 38.861 -0.222 1
1 974 . 12 1 1 A 81 81 TYR C C 76 176.700 177.486 -0.786 1
1 975 . 12 1 1 A 82 82 ARG N N 77 118.508 118.160 0.348 1
1 976 . 12 1 1 A 82 82 ARG H H 77 8.755 8.791 -0.036 1
1 977 . 12 1 1 A 82 82 ARG CA C 77 58.776 59.717 -0.941 1
1 978 . 12 1 1 A 82 82 ARG HA H 77 3.892 4.343 -0.451 1
1 979 . 12 1 1 A 82 82 ARG CB C 77 29.459 30.014 -0.555 1
1 995 . 12 1 1 A 82 82 ARG C C 77 178.748 178.819 -0.071 1
1 996 . 12 1 1 A 83 83 LYS N N 78 118.075 119.152 -1.077 1
1 997 . 12 1 1 A 83 83 LYS H H 78 7.696 7.909 -0.213 1
1 998 . 12 1 1 A 83 83 LYS CA C 78 58.614 59.017 -0.403 1
1 999 . 12 1 1 A 83 83 LYS HA H 78 4.031 4.139 -0.108 1
1 1000 . 12 1 1 A 83 83 LYS CB C 78 32.055 31.681 0.374 1
1 1005 . 12 1 1 A 83 83 LYS C C 78 177.890 178.626 -0.736 1
1 1006 . 12 1 1 A 84 84 MET N N 79 118.233 119.659 -1.426 1
1 1007 . 12 1 1 A 84 84 MET H H 79 7.748 7.894 -0.146 1
1 1008 . 12 1 1 A 84 84 MET CA C 79 57.254 58.612 -1.358 1
1 1009 . 12 1 1 A 84 84 MET HA H 79 4.189 4.208 -0.019 1
1 1010 . 12 1 1 A 84 84 MET CB C 79 32.169 32.480 -0.311 1
1 1020 . 12 1 1 A 84 84 MET C C 79 177.036 176.859 0.177 1
1 1021 . 12 1 1 A 85 85 GLN N N 80 117.242 117.747 -0.505 1
1 1022 . 12 1 1 A 85 85 GLN H H 80 7.843 7.557 0.286 1
1 1023 . 12 1 1 A 85 85 GLN CA C 80 56.500 55.104 1.396 1
1 1024 . 12 1 1 A 85 85 GLN HA H 80 3.993 4.411 -0.418 1
1 1025 . 12 1 1 A 85 85 GLN CB C 80 28.124 29.446 -1.322 1
1 1035 . 12 1 1 A 85 85 GLN C C 80 176.756 174.453 2.303 1
1 1036 . 12 1 1 A 86 86 ILE N N 81 119.178 120.061 -0.883 1
1 1037 . 12 1 1 A 86 86 ILE H H 81 7.715 7.416 0.299 1
1 1038 . 12 1 1 A 86 86 ILE CA C 81 61.995 59.890 2.105 1
1 1039 . 12 1 1 A 86 86 ILE HA H 81 3.948 4.504 -0.556 1
1 1040 . 12 1 1 A 86 86 ILE CB C 81 37.856 38.491 -0.635 1
1 1052 . 12 1 1 A 86 86 ILE C C 81 176.728 176.186 0.542 1
1 1053 . 12 1 1 A 87 87 GLN N N 82 121.380 122.832 -1.452 1
1 1054 . 12 1 1 A 87 87 GLN H H 82 8.164 8.407 -0.243 1
1 1055 . 12 1 1 A 87 87 GLN CA C 82 56.075 58.448 -2.373 1
1 1056 . 12 1 1 A 87 87 GLN HA H 82 4.227 4.060 0.167 1
1 1057 . 12 1 1 A 87 87 GLN CB C 82 28.735 28.209 0.526 1
1 1066 . 12 1 1 A 87 87 GLN C C 82 175.836 178.664 -2.828 1
1 1067 . 12 1 1 A 88 88 CYS N N 83 118.668 117.858 0.810 1
1 1068 . 12 1 1 A 88 88 CYS H H 83 8.238 7.719 0.519 1
1 1069 . 12 1 1 A 88 88 CYS CA C 83 58.012 61.757 -3.745 1
1 1070 . 12 1 1 A 88 88 CYS HA H 83 4.475 4.181 0.294 1
1 1071 . 12 1 1 A 88 88 CYS CB C 83 27.697 28.063 -0.366 1
1 1074 . 12 1 1 A 88 88 CYS C C 83 173.428 174.441 -1.013 1
1 1075 . 12 1 1 A 89 89 ALA N N 84 127.014 121.664 5.350 1
1 1076 . 12 1 1 A 89 89 ALA H H 84 8.249 7.825 0.424 1
1 1077 . 12 1 1 A 89 89 ALA CA C 84 50.615 52.556 -1.941 1
1 1078 . 12 1 1 A 89 89 ALA HA H 84 4.562 4.013 0.549 1
1 1082 . 12 1 1 A 89 89 ALA CB C 84 17.465 17.646 -0.181 1
1 1083 . 12 1 1 A 89 89 ALA C C 84 175.125 178.031 -2.906 1
1 1085 . 12 1 1 A 90 90 PRO CA C 85 63.085 63.889 -0.804 1
1 1086 . 12 1 1 A 90 90 PRO HA H 85 4.386 4.385 0.001 1
1 1087 . 12 1 1 A 90 90 PRO CB C 85 31.491 31.959 -0.468 1
1 1095 . 12 1 1 A 90 90 PRO C C 85 176.381 177.196 -0.815 1
1 1096 . 12 1 1 A 91 91 ASP N N 86 119.209 118.444 0.765 1
1 1097 . 12 1 1 A 91 91 ASP H H 86 8.429 8.138 0.291 1
1 1098 . 12 1 1 A 91 91 ASP CA C 86 53.752 55.158 -1.406 1
1 1099 . 12 1 1 A 91 91 ASP HA H 86 4.394 4.293 0.101 1
1 1100 . 12 1 1 A 91 91 ASP CB C 86 40.319 39.492 0.827 1
1 1103 . 12 1 1 A 91 91 ASP C C 86 176.101 175.373 0.728 1
1 1104 . 12 1 1 A 92 92 LEU N N 87 122.571 118.766 3.805 1
1 1105 . 12 1 1 A 92 92 LEU H H 87 8.208 8.416 -0.208 1
1 1106 . 12 1 1 A 92 92 LEU CA C 87 55.327 55.778 -0.451 1
1 1107 . 12 1 1 A 92 92 LEU HA H 87 4.205 3.997 0.208 1
1 1108 . 12 1 1 A 92 92 LEU CB C 87 41.636 40.953 0.683 1
1 1121 . 12 1 1 A 92 92 LEU C C 87 177.406 175.777 1.629 1
1 1122 . 12 1 1 A 93 93 ALA N N 88 123.131 117.081 6.050 1
1 1123 . 12 1 1 A 93 93 ALA H H 88 8.305 8.241 0.064 1
1 1124 . 12 1 1 A 93 93 ALA CA C 88 52.823 53.288 -0.465 1
1 1125 . 12 1 1 A 93 93 ALA HA H 88 4.245 3.962 0.283 1
1 1129 . 12 1 1 A 93 93 ALA CB C 88 18.496 17.296 1.200 1
1 1130 . 12 1 1 A 93 93 ALA C C 88 178.033 176.486 1.547 1
1 1131 . 12 1 1 A 94 94 THR N N 89 112.097 101.870 10.227 1
1 1132 . 12 1 1 A 94 94 THR H H 89 7.994 7.866 0.128 1
1 1133 . 12 1 1 A 94 94 THR CA C 89 61.892 62.997 -1.105 1
1 1134 . 12 1 1 A 94 94 THR HA H 89 4.247 3.876 0.371 1
1 1135 . 12 1 1 A 94 94 THR CB C 89 69.076 66.576 2.500 1
1 1141 . 12 1 1 A 94 94 THR C C 89 174.478 173.874 0.604 1
1 1142 . 12 1 1 A 95 95 ARG N N 90 122.704 113.741 8.963 1
1 1143 . 12 1 1 A 95 95 ARG H H 90 8.211 8.407 -0.196 1
1 1144 . 12 1 1 A 95 95 ARG CA C 90 55.803 57.436 -1.633 1
1 1145 . 12 1 1 A 95 95 ARG HA H 90 4.336 3.980 0.356 1
1 1146 . 12 1 1 A 95 95 ARG CB C 90 30.263 28.233 2.030 1
1 1157 . 12 1 1 A 95 95 ARG C C 90 175.958 176.019 -0.061 1
1 1158 . 12 1 1 A 96 96 SER N N 91 116.390 114.173 2.217 1
1 1159 . 12 1 1 A 96 96 SER H H 91 8.365 8.251 0.114 1
1 1160 . 12 1 1 A 96 96 SER CA C 91 58.011 59.252 -1.241 1
1 1161 . 12 1 1 A 96 96 SER HA H 91 4.383 4.085 0.298 1
1 1162 . 12 1 1 A 96 96 SER CB C 91 63.261 62.074 1.187 1
1 1165 . 12 1 1 A 96 96 SER C C 91 174.016 173.507 0.509 1
1 1166 . 12 1 1 A 97 97 HIS N N 92 120.507 113.546 6.961 1
1 1167 . 12 1 1 A 97 97 HIS H H 92 8.541 8.170 0.371 1
1 1168 . 12 1 1 A 97 97 HIS CA C 92 55.068 56.459 -1.391 1
1 1169 . 12 1 1 A 97 97 HIS HA H 92 4.707 4.169 0.538 1
1 1170 . 12 1 1 A 97 97 HIS CB C 92 28.839 27.215 1.624 1
1 1173 . 12 1 1 A 97 97 HIS C C 92 174.186 173.803 0.383 1
1 1174 . 12 1 1 A 98 98 SER N N 93 116.801 113.425 3.376 1
1 1175 . 12 1 1 A 98 98 SER H H 93 8.455 7.416 1.039 1
1 1176 . 12 1 1 A 98 98 SER CA C 93 58.046 56.480 1.566 1
1 1177 . 12 1 1 A 98 98 SER HA H 93 4.450 4.750 -0.300 1
1 1178 . 12 1 1 A 98 98 SER CB C 93 63.434 65.802 -2.368 1
1 1181 . 12 1 1 A 98 98 SER C C 93 174.553 174.549 0.004 1
1 1182 . 12 1 1 A 99 99 GLY N N 94 111.114 114.077 -2.963 1
1 1183 . 12 1 1 A 99 99 GLY H H 94 8.597 8.853 -0.256 1
1 1184 . 12 1 1 A 99 99 GLY CA C 94 44.888 47.296 -2.408 1
1 1185 . 12 1 1 A 99 99 GLY HA2 H 94 3.998 3.903 0.095 1
1 1186 . 12 1 1 A 99 99 GLY HA3 H 94 3.998 3.916 0.082 1
1 1187 . 12 1 1 A 99 99 GLY C C 94 173.856 175.506 -1.650 1
1 1188 . 12 1 1 A 100 100 SER N N 95 115.398 110.572 4.826 1
1 1189 . 12 1 1 A 100 100 SER H H 95 8.311 7.956 0.355 1
1 1190 . 12 1 1 A 100 100 SER CA C 95 57.909 57.519 0.390 1
1 1191 . 12 1 1 A 100 100 SER HA H 95 4.422 4.849 -0.427 1
1 1192 . 12 1 1 A 100 100 SER CB C 95 63.377 64.019 -0.642 1
1 1195 . 12 1 1 A 100 100 SER C C 95 173.695 174.484 -0.789 1
1 1196 . 12 1 1 A 101 101 ASP N N 96 121.810 120.428 1.382 1
1 1197 . 12 1 1 A 101 101 ASP H H 96 8.380 8.121 0.259 1
1 1198 . 12 1 1 A 101 101 ASP CA C 96 53.797 54.255 -0.458 1
1 1199 . 12 1 1 A 101 101 ASP HA H 96 4.546 4.858 -0.312 1
1 1200 . 12 1 1 A 101 101 ASP CB C 96 40.440 42.160 -1.720 1
1 1203 . 12 1 1 A 101 101 ASP C C 96 175.547 176.411 -0.864 1
1 1204 . 12 1 1 A 102 102 PHE N N 97 120.706 117.345 3.361 1
1 1205 . 12 1 1 A 102 102 PHE H H 97 8.249 8.050 0.199 1
1 1206 . 12 1 1 A 102 102 PHE CA C 97 57.444 57.990 -0.546 1
1 1207 . 12 1 1 A 102 102 PHE HA H 97 4.546 4.548 -0.002 1
1 1208 . 12 1 1 A 102 102 PHE CB C 97 38.772 39.318 -0.546 1
1 1214 . 12 1 1 A 102 102 PHE C C 97 175.312 176.160 -0.848 1
1 1215 . 12 1 1 A 103 103 SER N N 98 116.992 111.642 5.350 1
1 1216 . 12 1 1 A 103 103 SER H H 98 8.167 7.820 0.347 1
1 1217 . 12 1 1 A 103 103 SER CA C 98 57.983 57.153 0.830 1
1 1218 . 12 1 1 A 103 103 SER HA H 98 4.314 4.900 -0.586 1
1 1219 . 12 1 1 A 103 103 SER CB C 98 63.384 63.025 0.359 1
1 1222 . 12 1 1 A 103 103 SER C C 98 173.286 173.557 -0.271 1
1 1223 . 12 1 1 A 104 104 PHE N N 99 122.000 123.154 -1.154 1
1 1224 . 12 1 1 A 104 104 PHE H H 99 8.170 8.939 -0.769 1
1 1225 . 12 1 1 A 104 104 PHE CA C 99 57.354 56.693 0.661 1
1 1226 . 12 1 1 A 104 104 PHE HA H 99 4.545 4.597 -0.052 1
1 1227 . 12 1 1 A 104 104 PHE CB C 99 39.045 37.860 1.185 1
1 1233 . 12 1 1 A 104 104 PHE C C 99 174.621 174.553 0.068 1
1 1234 . 12 1 1 A 105 105 ARG N N 100 124.796 126.001 -1.205 1
1 1235 . 12 1 1 A 105 105 ARG H H 100 8.101 8.322 -0.221 1
1 1236 . 12 1 1 A 105 105 ARG CA C 100 52.919 53.411 -0.492 1
1 1237 . 12 1 1 A 105 105 ARG HA H 100 4.542 4.689 -0.147 1
1 1238 . 12 1 1 A 105 105 ARG CB C 100 29.973 31.333 -1.360 1
1 1247 . 12 1 1 A 105 105 ARG C C 100 172.924 174.080 -1.156 1
1 1249 . 12 1 1 A 106 106 PRO CA C 101 62.366 62.283 0.083 1
1 1250 . 12 1 1 A 106 106 PRO HA H 101 4.349 4.688 -0.339 1
1 1251 . 12 1 1 A 106 106 PRO CB C 101 31.609 33.390 -1.781 1
1 1259 . 12 1 1 A 106 106 PRO C C 101 176.395 176.358 0.037 1
1 1260 . 12 1 1 A 107 107 ILE N N 102 121.380 121.003 0.377 1
1 1261 . 12 1 1 A 107 107 ILE H H 102 8.350 8.445 -0.095 1
1 1262 . 12 1 1 A 107 107 ILE CA C 102 60.925 60.462 0.463 1
1 1263 . 12 1 1 A 107 107 ILE HA H 102 4.050 4.601 -0.551 1
1 1264 . 12 1 1 A 107 107 ILE CB C 102 38.165 38.953 -0.788 1
1 1277 . 12 1 1 A 107 107 ILE C C 102 175.990 176.332 -0.342 1
1 1278 . 12 1 1 A 108 108 GLU N N 103 124.836 122.781 2.055 1
1 1279 . 12 1 1 A 108 108 GLU H H 103 8.578 8.045 0.533 1
1 1280 . 12 1 1 A 108 108 GLU CA C 103 55.915 58.899 -2.984 1
1 1281 . 12 1 1 A 108 108 GLU HA H 103 4.279 4.081 0.198 1
1 1282 . 12 1 1 A 108 108 GLU CB C 103 29.902 28.887 1.015 1
1 1288 . 12 1 1 A 108 108 GLU C C 103 175.678 176.688 -1.010 1
1 1289 . 12 1 1 A 109 109 GLU N N 104 122.847 119.491 3.356 1
1 1290 . 12 1 1 A 109 109 GLU H H 104 8.459 8.142 0.317 1
1 1291 . 12 1 1 A 109 109 GLU CA C 104 55.845 57.249 -1.404 1
1 1292 . 12 1 1 A 109 109 GLU HA H 104 4.273 3.984 0.289 1
1 1293 . 12 1 1 A 109 109 GLU CB C 104 29.990 28.128 1.862 1
1 1299 . 12 1 1 A 109 109 GLU C C 104 174.661 175.470 -0.809 1
1 3 . 13 1 1 A 2 2 SER N N -4 115.528 114.851 0.677 1
1 4 . 13 1 1 A 2 2 SER H H -4 8.751 7.966 0.785 1
1 5 . 13 1 1 A 2 2 SER CA C -4 57.819 57.521 0.298 1
1 6 . 13 1 1 A 2 2 SER HA H -4 4.461 4.463 -0.002 1
1 7 . 13 1 1 A 2 2 SER CB C -4 63.389 63.222 0.167 1
1 8 . 13 1 1 A 2 2 SER C C -4 173.924 173.387 0.537 1
1 9 . 13 1 1 A 3 3 HIS N N -3 120.998 115.772 5.226 1
1 10 . 13 1 1 A 3 3 HIS H H -3 8.769 7.801 0.968 1
1 11 . 13 1 1 A 3 3 HIS CA C -3 55.238 56.857 -1.619 1
1 12 . 13 1 1 A 3 3 HIS HA H -3 4.703 4.190 0.513 1
1 13 . 13 1 1 A 3 3 HIS CB C -3 28.916 26.665 2.251 1
1 16 . 13 1 1 A 3 3 HIS C C -3 174.207 174.211 -0.004 1
1 17 . 13 1 1 A 4 4 MET N N -2 122.227 117.107 5.120 1
1 18 . 13 1 1 A 4 4 MET H H -2 8.518 7.646 0.872 1
1 19 . 13 1 1 A 4 4 MET CA C -2 55.003 54.844 0.159 1
1 20 . 13 1 1 A 4 4 MET HA H -2 4.420 4.781 -0.361 1
1 21 . 13 1 1 A 4 4 MET CB C -2 32.578 33.366 -0.788 1
1 31 . 13 1 1 A 4 4 MET C C -2 175.475 174.569 0.906 1
1 49 . 13 1 1 A 7 7 ALA N N 2 124.543 122.862 1.681 1
1 50 . 13 1 1 A 7 7 ALA H H 2 8.453 8.163 0.290 1
1 51 . 13 1 1 A 7 7 ALA CA C 2 53.203 54.495 -1.292 1
1 52 . 13 1 1 A 7 7 ALA HA H 2 4.211 4.109 0.102 1
1 56 . 13 1 1 A 7 7 ALA CB C 2 18.387 18.234 0.153 1
1 57 . 13 1 1 A 7 7 ALA C C 2 178.091 179.335 -1.244 1
1 58 . 13 1 1 A 8 8 ASP N N 3 118.618 118.563 0.055 1
1 59 . 13 1 1 A 8 8 ASP H H 3 8.064 7.857 0.207 1
1 60 . 13 1 1 A 8 8 ASP CA C 3 54.381 57.248 -2.867 1
1 61 . 13 1 1 A 8 8 ASP HA H 3 4.551 4.465 0.086 1
1 62 . 13 1 1 A 8 8 ASP CB C 3 40.446 40.782 -0.336 1
1 65 . 13 1 1 A 8 8 ASP C C 3 176.662 178.563 -1.901 1
1 66 . 13 1 1 A 9 9 LEU N N 4 123.427 121.206 2.221 1
1 67 . 13 1 1 A 9 9 LEU H H 4 8.202 7.895 0.307 1
1 68 . 13 1 1 A 9 9 LEU CA C 4 57.491 57.879 -0.388 1
1 69 . 13 1 1 A 9 9 LEU HA H 4 4.084 4.010 0.074 1
1 70 . 13 1 1 A 9 9 LEU CB C 4 41.745 41.651 0.094 1
1 80 . 13 1 1 A 9 9 LEU C C 4 178.873 178.644 0.229 1
1 81 . 13 1 1 A 10 10 VAL N N 5 119.385 119.178 0.207 1
1 82 . 13 1 1 A 10 10 VAL H H 5 8.186 8.357 -0.171 1
1 83 . 13 1 1 A 10 10 VAL CA C 5 66.686 66.718 -0.032 1
1 84 . 13 1 1 A 10 10 VAL HA H 5 3.435 3.491 -0.056 1
1 85 . 13 1 1 A 10 10 VAL CB C 5 31.135 31.521 -0.386 1
1 95 . 13 1 1 A 10 10 VAL C C 5 177.408 177.792 -0.384 1
1 96 . 13 1 1 A 11 11 SER N N 6 115.027 115.840 -0.813 1
1 97 . 13 1 1 A 11 11 SER H H 6 8.252 8.053 0.199 1
1 98 . 13 1 1 A 11 11 SER CA C 6 61.229 62.109 -0.880 1
1 99 . 13 1 1 A 11 11 SER HA H 6 4.068 4.087 -0.019 1
1 100 . 13 1 1 A 11 11 SER CB C 6 62.054 62.677 -0.623 1
1 103 . 13 1 1 A 11 11 SER C C 6 176.036 176.439 -0.403 1
1 104 . 13 1 1 A 12 12 SER N N 7 115.144 117.004 -1.860 1
1 105 . 13 1 1 A 12 12 SER H H 7 8.053 8.079 -0.026 1
1 106 . 13 1 1 A 12 12 SER CA C 7 60.212 61.524 -1.312 1
1 107 . 13 1 1 A 12 12 SER HA H 7 4.309 4.052 0.257 1
1 108 . 13 1 1 A 12 12 SER CB C 7 62.720 62.976 -0.256 1
1 111 . 13 1 1 A 12 12 SER C C 7 176.540 176.462 0.078 1
1 112 . 13 1 1 A 13 13 CYS N N 8 118.211 118.942 -0.731 1
1 113 . 13 1 1 A 13 13 CYS H H 8 7.919 8.553 -0.634 1
1 114 . 13 1 1 A 13 13 CYS CA C 8 63.729 63.840 -0.111 1
1 115 . 13 1 1 A 13 13 CYS HA H 8 4.046 4.075 -0.029 1
1 116 . 13 1 1 A 13 13 CYS CB C 8 26.703 26.968 -0.265 1
1 119 . 13 1 1 A 13 13 CYS C C 8 175.645 177.005 -1.360 1
1 120 . 13 1 1 A 14 14 LYS N N 9 120.074 121.517 -1.443 1
1 121 . 13 1 1 A 14 14 LYS H H 9 8.632 8.119 0.513 1
1 122 . 13 1 1 A 14 14 LYS CA C 9 60.438 59.575 0.863 1
1 123 . 13 1 1 A 14 14 LYS HA H 9 3.668 3.963 -0.295 1
1 124 . 13 1 1 A 14 14 LYS CB C 9 31.655 31.987 -0.332 1
1 136 . 13 1 1 A 14 14 LYS C C 9 177.590 177.839 -0.249 1
1 137 . 13 1 1 A 15 15 ASP N N 10 117.611 119.440 -1.829 1
1 138 . 13 1 1 A 15 15 ASP H H 10 7.732 8.062 -0.330 1
1 139 . 13 1 1 A 15 15 ASP CA C 10 56.325 57.407 -1.082 1
1 140 . 13 1 1 A 15 15 ASP HA H 10 4.320 4.185 0.135 1
1 141 . 13 1 1 A 15 15 ASP CB C 10 40.092 41.653 -1.561 1
1 144 . 13 1 1 A 15 15 ASP C C 10 177.731 178.495 -0.764 1
1 145 . 13 1 1 A 16 16 LYS N N 11 117.878 119.123 -1.245 1
1 146 . 13 1 1 A 16 16 LYS H H 11 7.254 7.617 -0.363 1
1 147 . 13 1 1 A 16 16 LYS CA C 11 58.984 58.718 0.266 1
1 148 . 13 1 1 A 16 16 LYS HA H 11 3.662 3.358 0.304 1
1 149 . 13 1 1 A 16 16 LYS CB C 11 32.933 31.800 1.133 1
1 158 . 13 1 1 A 16 16 LYS C C 11 177.350 177.788 -0.438 1
1 159 . 13 1 1 A 17 17 LEU N N 12 115.652 121.669 -6.017 1
1 160 . 13 1 1 A 17 17 LEU H H 12 8.138 8.276 -0.138 1
1 161 . 13 1 1 A 17 17 LEU CA C 12 56.722 58.101 -1.379 1
1 162 . 13 1 1 A 17 17 LEU HA H 12 3.588 4.056 -0.468 1
1 163 . 13 1 1 A 17 17 LEU CB C 12 41.870 41.475 0.395 1
1 174 . 13 1 1 A 17 17 LEU C C 12 177.545 178.448 -0.903 1
1 175 . 13 1 1 A 18 18 ALA N N 13 116.045 120.629 -4.584 1
1 176 . 13 1 1 A 18 18 ALA H H 13 7.080 8.464 -1.384 1
1 177 . 13 1 1 A 18 18 ALA CA C 13 53.475 54.575 -1.100 1
1 178 . 13 1 1 A 18 18 ALA HA H 13 3.984 4.075 -0.091 1
1 182 . 13 1 1 A 18 18 ALA CB C 13 18.121 18.512 -0.391 1
1 183 . 13 1 1 A 18 18 ALA C C 13 178.298 179.495 -1.197 1
1 184 . 13 1 1 A 19 19 TYR N N 14 115.556 119.368 -3.812 1
1 185 . 13 1 1 A 19 19 TYR H H 14 7.675 7.571 0.104 1
1 186 . 13 1 1 A 19 19 TYR CA C 14 58.741 59.904 -1.163 1
1 187 . 13 1 1 A 19 19 TYR HA H 14 4.323 4.189 0.134 1
1 188 . 13 1 1 A 19 19 TYR CB C 14 38.610 38.999 -0.389 1
1 193 . 13 1 1 A 19 19 TYR C C 14 176.007 175.923 0.084 1
1 194 . 13 1 1 A 20 20 PHE N N 15 118.275 119.519 -1.244 1
1 195 . 13 1 1 A 20 20 PHE H H 15 7.406 7.596 -0.190 1
1 196 . 13 1 1 A 20 20 PHE CA C 15 56.542 57.168 -0.626 1
1 197 . 13 1 1 A 20 20 PHE HA H 15 4.652 4.717 -0.065 1
1 198 . 13 1 1 A 20 20 PHE CB C 15 38.561 40.422 -1.861 1
1 202 . 13 1 1 A 20 20 PHE C C 15 176.160 175.672 0.488 1
1 203 . 13 1 1 A 21 21 ARG N N 16 119.140 121.911 -2.771 1
1 204 . 13 1 1 A 21 21 ARG H H 16 8.714 8.669 0.045 1
1 205 . 13 1 1 A 21 21 ARG CA C 16 54.474 56.300 -1.826 1
1 206 . 13 1 1 A 21 21 ARG HA H 16 4.747 4.347 0.400 1
1 207 . 13 1 1 A 21 21 ARG CB C 16 30.097 31.282 -1.185 1
1 223 . 13 1 1 A 21 21 ARG C C 16 177.095 177.759 -0.664 1
1 224 . 13 1 1 A 22 22 ILE N N 17 120.734 122.080 -1.346 1
1 225 . 13 1 1 A 22 22 ILE H H 17 8.708 8.765 -0.057 1
1 226 . 13 1 1 A 22 22 ILE CA C 17 65.114 64.740 0.374 1
1 227 . 13 1 1 A 22 22 ILE HA H 17 3.740 3.710 0.030 1
1 228 . 13 1 1 A 22 22 ILE CB C 17 36.768 37.680 -0.912 1
1 241 . 13 1 1 A 22 22 ILE C C 17 176.639 177.964 -1.325 1
1 242 . 13 1 1 A 23 23 LYS N N 18 118.184 121.731 -3.547 1
1 243 . 13 1 1 A 23 23 LYS H H 18 8.267 8.210 0.057 1
1 244 . 13 1 1 A 23 23 LYS CA C 18 59.978 59.719 0.259 1
1 245 . 13 1 1 A 23 23 LYS HA H 18 3.909 3.932 -0.023 1
1 246 . 13 1 1 A 23 23 LYS CB C 18 32.191 32.445 -0.254 1
1 258 . 13 1 1 A 23 23 LYS C C 18 178.185 178.842 -0.657 1
1 259 . 13 1 1 A 24 24 GLU N N 19 117.651 119.176 -1.525 1
1 260 . 13 1 1 A 24 24 GLU H H 19 7.198 7.961 -0.763 1
1 261 . 13 1 1 A 24 24 GLU CA C 19 60.601 59.260 1.341 1
1 262 . 13 1 1 A 24 24 GLU HA H 19 4.056 4.074 -0.018 1
1 263 . 13 1 1 A 24 24 GLU CB C 19 28.859 29.575 -0.716 1
1 269 . 13 1 1 A 24 24 GLU C C 19 178.542 178.860 -0.318 1
1 270 . 13 1 1 A 25 25 LEU N N 20 119.236 120.426 -1.190 1
1 271 . 13 1 1 A 25 25 LEU H H 20 7.980 8.277 -0.297 1
1 272 . 13 1 1 A 25 25 LEU CA C 20 57.812 57.663 0.149 1
1 273 . 13 1 1 A 25 25 LEU HA H 20 3.947 3.957 -0.010 1
1 274 . 13 1 1 A 25 25 LEU CB C 20 42.172 41.740 0.432 1
1 281 . 13 1 1 A 25 25 LEU C C 20 178.081 178.966 -0.885 1
1 282 . 13 1 1 A 26 26 LYS N N 21 117.457 118.893 -1.436 1
1 283 . 13 1 1 A 26 26 LYS H H 21 8.770 8.765 0.005 1
1 284 . 13 1 1 A 26 26 LYS CA C 21 60.741 60.049 0.692 1
1 285 . 13 1 1 A 26 26 LYS HA H 21 3.806 3.906 -0.100 1
1 286 . 13 1 1 A 26 26 LYS CB C 21 31.876 32.200 -0.324 1
1 287 . 13 1 1 A 26 26 LYS C C 21 177.659 178.200 -0.541 1
1 288 . 13 1 1 A 27 27 ASP N N 22 119.023 119.502 -0.479 1
1 289 . 13 1 1 A 27 27 ASP H H 22 7.671 8.446 -0.775 1
1 290 . 13 1 1 A 27 27 ASP CA C 22 56.971 57.152 -0.181 1
1 291 . 13 1 1 A 27 27 ASP HA H 22 4.409 4.340 0.069 1
1 292 . 13 1 1 A 27 27 ASP CB C 22 40.196 40.630 -0.434 1
1 295 . 13 1 1 A 27 27 ASP C C 22 180.796 179.045 1.751 1
1 296 . 13 1 1 A 28 28 ILE N N 23 119.318 120.009 -0.691 1
1 297 . 13 1 1 A 28 28 ILE H H 23 8.039 7.912 0.127 1
1 298 . 13 1 1 A 28 28 ILE CA C 23 65.328 65.312 0.016 1
1 299 . 13 1 1 A 28 28 ILE HA H 23 3.601 3.669 -0.068 1
1 300 . 13 1 1 A 28 28 ILE CB C 23 37.309 37.868 -0.559 1
1 313 . 13 1 1 A 28 28 ILE C C 23 177.251 178.319 -1.068 1
1 314 . 13 1 1 A 29 29 LEU N N 24 120.356 120.941 -0.585 1
1 315 . 13 1 1 A 29 29 LEU H H 24 8.220 8.524 -0.304 1
1 316 . 13 1 1 A 29 29 LEU CA C 24 58.535 57.980 0.555 1
1 317 . 13 1 1 A 29 29 LEU HA H 24 3.824 3.938 -0.114 1
1 318 . 13 1 1 A 29 29 LEU CB C 24 39.478 41.345 -1.867 1
1 326 . 13 1 1 A 29 29 LEU C C 24 178.599 178.351 0.248 1
1 327 . 13 1 1 A 30 30 ASN N N 25 117.446 117.312 0.134 1
1 328 . 13 1 1 A 30 30 ASN H H 25 8.687 8.456 0.231 1
1 329 . 13 1 1 A 30 30 ASN CA C 25 56.241 56.530 -0.289 1
1 330 . 13 1 1 A 30 30 ASN HA H 25 4.520 4.399 0.121 1
1 331 . 13 1 1 A 30 30 ASN CB C 25 38.899 38.981 -0.082 1
1 338 . 13 1 1 A 30 30 ASN C C 25 178.958 178.094 0.864 1
1 339 . 13 1 1 A 31 31 GLN N N 26 119.946 118.433 1.513 1
1 340 . 13 1 1 A 31 31 GLN H H 26 8.184 7.931 0.253 1
1 341 . 13 1 1 A 31 31 GLN CA C 26 58.779 58.843 -0.064 1
1 342 . 13 1 1 A 31 31 GLN HA H 26 4.055 4.046 0.009 1
1 343 . 13 1 1 A 31 31 GLN CB C 26 29.109 27.956 1.153 1
1 353 . 13 1 1 A 31 31 GLN C C 26 177.586 179.425 -1.839 1
1 354 . 13 1 1 A 32 32 LEU N N 27 116.979 117.715 -0.736 1
1 355 . 13 1 1 A 32 32 LEU H H 27 7.893 7.855 0.038 1
1 356 . 13 1 1 A 32 32 LEU CA C 27 54.393 56.150 -1.757 1
1 357 . 13 1 1 A 32 32 LEU HA H 27 4.240 4.433 -0.193 1
1 358 . 13 1 1 A 32 32 LEU CB C 27 42.566 42.398 0.168 1
1 369 . 13 1 1 A 32 32 LEU C C 27 175.693 177.219 -1.526 1
1 370 . 13 1 1 A 33 33 GLY N N 28 108.299 106.749 1.550 1
1 371 . 13 1 1 A 33 33 GLY H H 28 7.834 8.181 -0.347 1
1 372 . 13 1 1 A 33 33 GLY CA C 28 45.707 46.398 -0.691 1
1 373 . 13 1 1 A 33 33 GLY HA2 H 28 3.952 3.976 -0.024 1
1 374 . 13 1 1 A 33 33 GLY HA3 H 28 3.952 3.977 -0.025 1
1 375 . 13 1 1 A 33 33 GLY C C 28 174.317 174.712 -0.395 1
1 376 . 13 1 1 A 34 34 LEU N N 29 120.833 114.919 5.914 1
1 377 . 13 1 1 A 34 34 LEU H H 29 7.986 7.218 0.768 1
1 378 . 13 1 1 A 34 34 LEU CA C 29 51.600 51.789 -0.189 1
1 379 . 13 1 1 A 34 34 LEU HA H 29 4.760 4.763 -0.003 1
1 380 . 13 1 1 A 34 34 LEU CB C 29 43.531 42.039 1.492 1
1 392 . 13 1 1 A 35 35 PRO CA C 30 62.741 62.661 0.080 1
1 393 . 13 1 1 A 35 35 PRO HA H 30 4.365 4.503 -0.138 1
1 394 . 13 1 1 A 35 35 PRO CB C 30 31.856 32.606 -0.750 1
1 402 . 13 1 1 A 35 35 PRO C C 30 177.334 177.106 0.228 1
1 403 . 13 1 1 A 36 36 LYS N N 31 117.589 120.484 -2.895 1
1 404 . 13 1 1 A 36 36 LYS H H 31 8.380 8.835 -0.455 1
1 405 . 13 1 1 A 36 36 LYS CA C 31 55.569 56.935 -1.366 1
1 406 . 13 1 1 A 36 36 LYS HA H 31 4.288 3.943 0.345 1
1 407 . 13 1 1 A 36 36 LYS CB C 31 33.225 30.974 2.251 1
1 417 . 13 1 1 A 36 36 LYS C C 31 174.406 175.413 -1.007 1
1 418 . 13 1 1 A 37 37 GLN N N 32 118.260 117.234 1.026 1
1 419 . 13 1 1 A 37 37 GLN H H 32 7.698 7.706 -0.008 1
1 420 . 13 1 1 A 37 37 GLN CA C 32 55.716 53.788 1.928 1
1 421 . 13 1 1 A 37 37 GLN HA H 32 4.392 4.905 -0.513 1
1 422 . 13 1 1 A 37 37 GLN CB C 32 28.251 31.929 -3.678 1
1 432 . 13 1 1 A 37 37 GLN C C 32 175.122 175.511 -0.389 1
1 433 . 13 1 1 A 38 38 GLY N N 33 109.855 107.532 2.323 1
1 434 . 13 1 1 A 38 38 GLY H H 33 8.449 8.339 0.110 1
1 435 . 13 1 1 A 38 38 GLY CA C 33 43.315 44.427 -1.112 1
1 436 . 13 1 1 A 38 38 GLY HA2 H 33 4.600 4.106 0.494 1
1 437 . 13 1 1 A 38 38 GLY HA3 H 33 3.803 4.106 -0.303 1
1 438 . 13 1 1 A 38 38 GLY C C 33 173.537 173.079 0.458 1
1 439 . 13 1 1 A 39 39 LYS N N 34 117.627 119.614 -1.987 1
1 440 . 13 1 1 A 39 39 LYS H H 34 8.649 8.382 0.267 1
1 441 . 13 1 1 A 39 39 LYS CA C 34 54.916 54.201 0.715 1
1 442 . 13 1 1 A 39 39 LYS HA H 34 4.395 4.578 -0.183 1
1 443 . 13 1 1 A 39 39 LYS CB C 34 32.893 33.573 -0.680 1
1 455 . 13 1 1 A 39 39 LYS C C 34 176.803 178.149 -1.346 1
1 456 . 13 1 1 A 40 40 LYS N N 35 121.705 119.119 2.586 1
1 457 . 13 1 1 A 40 40 LYS H H 35 8.920 8.622 0.298 1
1 458 . 13 1 1 A 40 40 LYS CA C 35 61.574 59.297 2.277 1
1 459 . 13 1 1 A 40 40 LYS HA H 35 3.599 3.956 -0.357 1
1 460 . 13 1 1 A 40 40 LYS CB C 35 31.924 32.261 -0.337 1
1 472 . 13 1 1 A 40 40 LYS C C 35 177.366 178.358 -0.992 1
1 473 . 13 1 1 A 41 41 GLN N N 36 114.634 118.605 -3.971 1
1 474 . 13 1 1 A 41 41 GLN H H 36 9.017 7.877 1.140 1
1 475 . 13 1 1 A 41 41 GLN CA C 36 57.636 58.594 -0.958 1
1 476 . 13 1 1 A 41 41 GLN HA H 36 3.731 4.059 -0.328 1
1 477 . 13 1 1 A 41 41 GLN CB C 36 27.865 28.389 -0.524 1
1 487 . 13 1 1 A 41 41 GLN C C 36 176.872 178.737 -1.865 1
1 488 . 13 1 1 A 42 42 ASP N N 37 115.980 119.969 -3.989 1
1 489 . 13 1 1 A 42 42 ASP H H 37 7.047 7.971 -0.924 1
1 490 . 13 1 1 A 42 42 ASP CA C 37 56.593 57.365 -0.772 1
1 491 . 13 1 1 A 42 42 ASP HA H 37 4.297 4.403 -0.106 1
1 492 . 13 1 1 A 42 42 ASP CB C 37 39.839 41.001 -1.162 1
1 495 . 13 1 1 A 42 42 ASP C C 37 178.454 178.884 -0.430 1
1 496 . 13 1 1 A 43 43 LEU N N 38 119.074 120.530 -1.456 1
1 497 . 13 1 1 A 43 43 LEU H H 38 7.725 8.128 -0.403 1
1 498 . 13 1 1 A 43 43 LEU CA C 38 57.713 58.012 -0.299 1
1 499 . 13 1 1 A 43 43 LEU HA H 38 3.787 3.985 -0.198 1
1 500 . 13 1 1 A 43 43 LEU CB C 38 40.214 42.300 -2.086 1
1 513 . 13 1 1 A 43 43 LEU C C 38 177.872 179.118 -1.246 1
1 514 . 13 1 1 A 44 44 ILE N N 39 118.343 118.445 -0.102 1
1 515 . 13 1 1 A 44 44 ILE H H 39 7.867 8.116 -0.249 1
1 516 . 13 1 1 A 44 44 ILE CA C 39 66.090 65.872 0.218 1
1 517 . 13 1 1 A 44 44 ILE HA H 39 3.321 3.512 -0.191 1
1 518 . 13 1 1 A 44 44 ILE CB C 39 38.013 37.745 0.268 1
1 528 . 13 1 1 A 44 44 ILE C C 39 177.711 177.859 -0.148 1
1 529 . 13 1 1 A 45 45 ASP N N 40 118.533 120.706 -2.173 1
1 530 . 13 1 1 A 45 45 ASP H H 40 8.503 8.396 0.107 1
1 531 . 13 1 1 A 45 45 ASP CA C 40 57.009 57.404 -0.395 1
1 532 . 13 1 1 A 45 45 ASP HA H 40 4.272 4.432 -0.160 1
1 533 . 13 1 1 A 45 45 ASP CB C 40 39.419 41.733 -2.314 1
1 536 . 13 1 1 A 45 45 ASP C C 40 178.392 178.713 -0.321 1
1 537 . 13 1 1 A 46 46 ARG N N 41 120.911 119.943 0.968 1
1 538 . 13 1 1 A 46 46 ARG H H 41 7.717 7.836 -0.119 1
1 539 . 13 1 1 A 46 46 ARG CA C 41 59.048 59.584 -0.536 1
1 540 . 13 1 1 A 46 46 ARG HA H 41 3.991 4.067 -0.076 1
1 541 . 13 1 1 A 46 46 ARG CB C 41 29.817 29.838 -0.021 1
1 550 . 13 1 1 A 46 46 ARG C C 41 177.537 178.714 -1.177 1
1 551 . 13 1 1 A 47 47 VAL N N 42 117.438 119.778 -2.340 1
1 552 . 13 1 1 A 47 47 VAL H H 42 7.445 7.909 -0.464 1
1 553 . 13 1 1 A 47 47 VAL CA C 42 65.881 66.384 -0.503 1
1 554 . 13 1 1 A 47 47 VAL HA H 42 3.442 3.664 -0.222 1
1 555 . 13 1 1 A 47 47 VAL CB C 42 30.931 31.748 -0.817 1
1 565 . 13 1 1 A 47 47 VAL C C 42 177.671 178.269 -0.598 1
1 566 . 13 1 1 A 48 48 LEU N N 43 117.085 118.142 -1.057 1
1 567 . 13 1 1 A 48 48 LEU H H 43 8.466 8.078 0.388 1
1 568 . 13 1 1 A 48 48 LEU CA C 43 57.248 57.800 -0.552 1
1 569 . 13 1 1 A 48 48 LEU HA H 43 3.847 3.915 -0.068 1
1 570 . 13 1 1 A 48 48 LEU CB C 43 40.720 41.158 -0.438 1
1 583 . 13 1 1 A 48 48 LEU C C 43 179.581 179.311 0.270 1
1 584 . 13 1 1 A 49 49 ALA N N 44 120.479 121.808 -1.329 1
1 585 . 13 1 1 A 49 49 ALA H H 44 7.953 7.944 0.009 1
1 586 . 13 1 1 A 49 49 ALA CA C 44 53.997 55.258 -1.261 1
1 587 . 13 1 1 A 49 49 ALA HA H 44 4.123 4.009 0.114 1
1 591 . 13 1 1 A 49 49 ALA CB C 44 17.631 18.209 -0.578 1
1 592 . 13 1 1 A 49 49 ALA C C 44 178.926 179.966 -1.040 1
1 593 . 13 1 1 A 50 50 LEU N N 45 115.306 118.829 -3.523 1
1 594 . 13 1 1 A 50 50 LEU H H 45 7.428 8.078 -0.650 1
1 595 . 13 1 1 A 50 50 LEU CA C 45 55.652 57.996 -2.344 1
1 596 . 13 1 1 A 50 50 LEU HA H 45 4.219 3.985 0.234 1
1 597 . 13 1 1 A 50 50 LEU CB C 45 41.846 42.365 -0.519 1
1 610 . 13 1 1 A 50 50 LEU C C 45 177.840 178.642 -0.802 1
1 611 . 13 1 1 A 51 51 LEU N N 46 115.880 116.632 -0.752 1
1 612 . 13 1 1 A 51 51 LEU H H 46 7.642 8.092 -0.450 1
1 613 . 13 1 1 A 51 51 LEU CA C 46 54.693 57.297 -2.604 1
1 614 . 13 1 1 A 51 51 LEU HA H 46 4.265 4.160 0.105 1
1 615 . 13 1 1 A 51 51 LEU CB C 46 42.040 41.571 0.469 1
1 625 . 13 1 1 A 51 51 LEU C C 46 176.015 179.412 -3.397 1
1 626 . 13 1 1 A 52 52 THR N N 47 109.201 115.241 -6.040 1
1 627 . 13 1 1 A 52 52 THR H H 47 7.516 7.927 -0.411 1
1 628 . 13 1 1 A 52 52 THR CA C 47 60.834 65.949 -5.115 1
1 629 . 13 1 1 A 52 52 THR HA H 47 4.348 4.007 0.341 1
1 630 . 13 1 1 A 52 52 THR CB C 47 69.704 69.027 0.677 1
1 636 . 13 1 1 A 52 52 THR C C 47 173.733 176.077 -2.344 1
1 637 . 13 1 1 A 53 53 ASP N N 48 122.188 120.932 1.256 1
1 638 . 13 1 1 A 53 53 ASP H H 48 8.280 9.043 -0.763 1
1 639 . 13 1 1 A 53 53 ASP CA C 48 54.185 57.270 -3.085 1
1 640 . 13 1 1 A 53 53 ASP HA H 48 4.699 4.389 0.310 1
1 641 . 13 1 1 A 53 53 ASP CB C 48 40.749 40.601 0.148 1
1 645 . 13 1 1 A 53 53 ASP C C 48 176.000 178.357 -2.357 1
1 646 . 13 1 1 A 54 54 GLU N N 49 121.966 118.354 3.612 1
1 647 . 13 1 1 A 54 54 GLU H H 49 8.588 8.355 0.233 1
1 648 . 13 1 1 A 54 54 GLU CA C 49 56.604 58.669 -2.065 1
1 649 . 13 1 1 A 54 54 GLU HA H 49 4.229 4.442 -0.213 1
1 650 . 13 1 1 A 54 54 GLU CB C 49 29.642 29.572 0.070 1
1 656 . 13 1 1 A 54 54 GLU C C 49 176.589 178.573 -1.984 1
1 657 . 13 1 1 A 55 55 GLN N N 50 120.727 117.266 3.461 1
1 658 . 13 1 1 A 55 55 GLN H H 50 8.642 8.834 -0.192 1
1 659 . 13 1 1 A 55 55 GLN CA C 50 56.165 57.043 -0.878 1
1 660 . 13 1 1 A 55 55 GLN HA H 50 4.226 4.260 -0.034 1
1 661 . 13 1 1 A 55 55 GLN CB C 50 28.555 27.450 1.105 1
1 671 . 13 1 1 A 55 55 GLN C C 50 176.554 177.714 -1.160 1
1 672 . 13 1 1 A 56 56 GLY N N 51 109.357 109.790 -0.433 1
1 673 . 13 1 1 A 56 56 GLY H H 51 8.519 8.290 0.229 1
1 674 . 13 1 1 A 56 56 GLY CA C 51 45.276 47.083 -1.807 1
1 675 . 13 1 1 A 56 56 GLY HA2 H 51 3.951 3.961 -0.010 1
1 676 . 13 1 1 A 56 56 GLY HA3 H 51 3.815 3.974 -0.159 1
1 677 . 13 1 1 A 56 56 GLY C C 51 174.146 174.794 -0.648 1
1 678 . 13 1 1 A 57 57 GLN N N 52 119.207 117.582 1.625 1
1 679 . 13 1 1 A 57 57 GLN H H 52 8.263 7.155 1.108 1
1 680 . 13 1 1 A 57 57 GLN CA C 52 55.650 55.990 -0.340 1
1 681 . 13 1 1 A 57 57 GLN HA H 52 4.217 4.520 -0.303 1
1 682 . 13 1 1 A 57 57 GLN CB C 52 28.723 31.075 -2.352 1
1 692 . 13 1 1 A 57 57 GLN C C 52 175.872 175.399 0.473 1
1 693 . 13 1 1 A 58 58 ARG N N 53 120.525 116.799 3.726 1
1 694 . 13 1 1 A 58 58 ARG H H 53 8.279 7.967 0.312 1
1 695 . 13 1 1 A 58 58 ARG CA C 53 55.854 57.085 -1.231 1
1 696 . 13 1 1 A 58 58 ARG HA H 53 4.204 4.019 0.185 1
1 697 . 13 1 1 A 58 58 ARG CB C 53 29.944 26.860 3.084 1
1 708 . 13 1 1 A 58 58 ARG C C 53 175.819 174.760 1.059 1
1 709 . 13 1 1 A 59 59 HIS N N 54 118.905 117.732 1.173 1
1 710 . 13 1 1 A 59 59 HIS H H 54 8.397 7.849 0.548 1
1 711 . 13 1 1 A 59 59 HIS CA C 54 55.130 54.955 0.175 1
1 712 . 13 1 1 A 59 59 HIS HA H 54 4.554 4.637 -0.083 1
1 713 . 13 1 1 A 59 59 HIS CB C 54 28.953 30.965 -2.012 1
1 716 . 13 1 1 A 59 59 HIS C C 54 174.248 173.730 0.518 1
1 717 . 13 1 1 A 60 60 HIS N N 55 119.527 117.106 2.421 1
1 718 . 13 1 1 A 60 60 HIS H H 55 8.493 7.275 1.218 1
1 719 . 13 1 1 A 60 60 HIS CA C 55 55.589 55.588 0.001 1
1 720 . 13 1 1 A 60 60 HIS HA H 55 4.553 3.887 0.666 1
1 721 . 13 1 1 A 60 60 HIS CB C 55 28.913 30.483 -1.570 1
1 724 . 13 1 1 A 60 60 HIS C C 55 174.759 175.227 -0.468 1
1 725 . 13 1 1 A 61 61 GLY N N 56 110.215 107.174 3.041 1
1 726 . 13 1 1 A 61 61 GLY H H 56 8.604 7.584 1.020 1
1 727 . 13 1 1 A 61 61 GLY CA C 56 44.977 45.124 -0.147 1
1 728 . 13 1 1 A 61 61 GLY HA2 H 56 3.958 3.739 0.219 1
1 729 . 13 1 1 A 61 61 GLY HA3 H 56 3.833 3.774 0.059 1
1 730 . 13 1 1 A 61 61 GLY C C 56 173.752 174.434 -0.682 1
1 731 . 13 1 1 A 62 62 TRP N N 57 120.700 118.384 2.316 1
1 732 . 13 1 1 A 62 62 TRP H H 57 8.175 7.251 0.924 1
1 733 . 13 1 1 A 62 62 TRP CA C 57 56.935 58.035 -1.100 1
1 734 . 13 1 1 A 62 62 TRP HA H 57 4.658 4.708 -0.050 1
1 735 . 13 1 1 A 62 62 TRP CB C 57 29.018 30.998 -1.980 1
1 750 . 13 1 1 A 62 62 TRP C C 57 176.442 177.447 -1.005 1
1 751 . 13 1 1 A 63 63 GLY N N 58 110.195 108.660 1.535 1
1 752 . 13 1 1 A 63 63 GLY H H 58 8.452 8.604 -0.152 1
1 753 . 13 1 1 A 63 63 GLY CA C 58 45.052 46.046 -0.994 1
1 754 . 13 1 1 A 63 63 GLY HA2 H 58 3.925 3.956 -0.031 1
1 755 . 13 1 1 A 63 63 GLY HA3 H 58 3.833 4.041 -0.208 1
1 756 . 13 1 1 A 63 63 GLY C C 58 173.738 174.501 -0.763 1
1 757 . 13 1 1 A 64 64 ARG N N 59 120.374 120.153 0.221 1
1 758 . 13 1 1 A 64 64 ARG H H 59 8.136 8.337 -0.201 1
1 759 . 13 1 1 A 64 64 ARG CA C 59 55.779 55.988 -0.209 1
1 760 . 13 1 1 A 64 64 ARG HA H 59 4.287 4.491 -0.204 1
1 761 . 13 1 1 A 64 64 ARG CB C 59 30.244 30.996 -0.752 1
1 772 . 13 1 1 A 64 64 ARG C C 59 176.269 176.798 -0.529 1
1 773 . 13 1 1 A 65 65 LYS N N 60 121.590 115.958 5.632 1
1 774 . 13 1 1 A 65 65 LYS H H 60 8.483 8.109 0.374 1
1 775 . 13 1 1 A 65 65 LYS CA C 60 56.435 57.037 -0.602 1
1 776 . 13 1 1 A 65 65 LYS HA H 60 4.226 4.462 -0.236 1
1 777 . 13 1 1 A 65 65 LYS CB C 60 32.259 33.456 -1.197 1
1 783 . 13 1 1 A 65 65 LYS C C 60 176.075 177.083 -1.008 1
1 784 . 13 1 1 A 66 66 ASN N N 61 118.654 117.210 1.444 1
1 785 . 13 1 1 A 66 66 ASN H H 61 8.413 8.003 0.410 1
1 786 . 13 1 1 A 66 66 ASN CA C 61 53.042 52.031 1.011 1
1 787 . 13 1 1 A 66 66 ASN HA H 61 4.651 4.949 -0.298 1
1 788 . 13 1 1 A 66 66 ASN CB C 61 38.348 39.701 -1.353 1
1 795 . 13 1 1 A 66 66 ASN C C 61 174.530 175.435 -0.905 1
1 796 . 13 1 1 A 67 67 SER N N 62 115.494 113.792 1.702 1
1 797 . 13 1 1 A 67 67 SER H H 62 8.289 8.056 0.233 1
1 798 . 13 1 1 A 67 67 SER CA C 62 58.090 59.339 -1.249 1
1 799 . 13 1 1 A 67 67 SER HA H 62 4.294 4.165 0.129 1
1 800 . 13 1 1 A 67 67 SER CB C 62 63.205 62.008 1.197 1
1 803 . 13 1 1 A 67 67 SER C C 62 173.894 173.133 0.761 1
1 804 . 13 1 1 A 68 68 LEU N N 63 123.552 116.767 6.785 1
1 805 . 13 1 1 A 68 68 LEU H H 63 8.063 7.458 0.605 1
1 806 . 13 1 1 A 68 68 LEU CA C 63 54.124 53.650 0.474 1
1 807 . 13 1 1 A 68 68 LEU HA H 63 4.495 4.804 -0.309 1
1 808 . 13 1 1 A 68 68 LEU CB C 63 42.447 44.949 -2.502 1
1 821 . 13 1 1 A 68 68 LEU C C 63 176.587 174.991 1.596 1
1 822 . 13 1 1 A 69 69 THR N N 64 112.637 111.340 1.297 1
1 823 . 13 1 1 A 69 69 THR H H 64 7.797 8.696 -0.899 1
1 824 . 13 1 1 A 69 69 THR CA C 64 60.021 59.848 0.173 1
1 825 . 13 1 1 A 69 69 THR HA H 64 4.490 4.747 -0.257 1
1 826 . 13 1 1 A 69 69 THR CB C 64 70.896 70.964 -0.068 1
1 832 . 13 1 1 A 69 69 THR C C 64 174.998 174.768 0.230 1
1 833 . 13 1 1 A 70 70 LYS N N 65 120.128 120.051 0.077 1
1 834 . 13 1 1 A 70 70 LYS H H 65 9.059 8.498 0.561 1
1 835 . 13 1 1 A 70 70 LYS CA C 65 59.374 58.699 0.675 1
1 836 . 13 1 1 A 70 70 LYS HA H 65 3.941 3.872 0.069 1
1 837 . 13 1 1 A 70 70 LYS CB C 65 31.830 31.604 0.226 1
1 843 . 13 1 1 A 70 70 LYS C C 65 177.539 178.298 -0.759 1
1 844 . 13 1 1 A 71 71 GLU N N 66 117.667 119.412 -1.745 1
1 845 . 13 1 1 A 71 71 GLU H H 66 8.699 8.478 0.221 1
1 846 . 13 1 1 A 71 71 GLU CA C 66 60.307 59.180 1.127 1
1 847 . 13 1 1 A 71 71 GLU HA H 66 3.812 4.011 -0.199 1
1 848 . 13 1 1 A 71 71 GLU CB C 66 27.903 29.678 -1.775 1
1 855 . 13 1 1 A 71 71 GLU C C 66 178.499 179.016 -0.517 1
1 856 . 13 1 1 A 72 72 ALA N N 67 123.914 122.451 1.463 1
1 857 . 13 1 1 A 72 72 ALA H H 67 7.991 7.296 0.695 1
1 858 . 13 1 1 A 72 72 ALA CA C 67 54.601 54.976 -0.375 1
1 859 . 13 1 1 A 72 72 ALA HA H 67 4.116 4.072 0.044 1
1 863 . 13 1 1 A 72 72 ALA CB C 67 18.288 18.465 -0.177 1
1 864 . 13 1 1 A 72 72 ALA C C 67 178.721 179.503 -0.782 1
1 865 . 13 1 1 A 73 73 VAL N N 68 119.435 117.808 1.627 1
1 866 . 13 1 1 A 73 73 VAL H H 68 8.045 7.936 0.109 1
1 867 . 13 1 1 A 73 73 VAL CA C 68 66.211 66.545 -0.334 1
1 868 . 13 1 1 A 73 73 VAL HA H 68 3.470 3.522 -0.052 1
1 869 . 13 1 1 A 73 73 VAL CB C 68 31.103 31.516 -0.413 1
1 879 . 13 1 1 A 73 73 VAL C C 68 177.001 178.441 -1.440 1
1 880 . 13 1 1 A 74 74 ALA N N 69 120.667 121.563 -0.896 1
1 881 . 13 1 1 A 74 74 ALA H H 69 8.407 8.404 0.003 1
1 882 . 13 1 1 A 74 74 ALA CA C 69 54.687 55.033 -0.346 1
1 883 . 13 1 1 A 74 74 ALA HA H 69 3.981 4.114 -0.133 1
1 887 . 13 1 1 A 74 74 ALA CB C 69 18.048 18.154 -0.106 1
1 888 . 13 1 1 A 74 74 ALA C C 69 178.865 179.701 -0.836 1
1 889 . 13 1 1 A 75 75 LYS N N 70 118.628 118.153 0.475 1
1 890 . 13 1 1 A 75 75 LYS H H 70 7.930 7.881 0.049 1
1 891 . 13 1 1 A 75 75 LYS CA C 70 58.914 59.766 -0.852 1
1 892 . 13 1 1 A 75 75 LYS HA H 70 4.105 4.048 0.057 1
1 893 . 13 1 1 A 75 75 LYS CB C 70 31.806 32.321 -0.515 1
1 903 . 13 1 1 A 75 75 LYS C C 70 177.409 179.103 -1.694 1
1 904 . 13 1 1 A 76 76 ILE N N 71 120.231 119.879 0.352 1
1 905 . 13 1 1 A 76 76 ILE H H 71 7.478 7.758 -0.280 1
1 906 . 13 1 1 A 76 76 ILE CA C 71 64.835 64.747 0.088 1
1 907 . 13 1 1 A 76 76 ILE HA H 71 3.973 3.791 0.182 1
1 908 . 13 1 1 A 76 76 ILE CB C 71 37.788 37.249 0.539 1
1 921 . 13 1 1 A 76 76 ILE C C 71 179.734 178.295 1.439 1
1 922 . 13 1 1 A 77 77 VAL N N 72 122.505 120.232 2.273 1
1 923 . 13 1 1 A 77 77 VAL H H 72 8.325 8.036 0.289 1
1 924 . 13 1 1 A 77 77 VAL CA C 72 67.425 66.856 0.569 1
1 925 . 13 1 1 A 77 77 VAL HA H 72 3.581 4.056 -0.475 1
1 926 . 13 1 1 A 77 77 VAL CB C 72 30.885 31.669 -0.784 1
1 936 . 13 1 1 A 77 77 VAL C C 72 176.939 177.776 -0.837 1
1 937 . 13 1 1 A 78 78 ASP N N 73 120.524 120.392 0.132 1
1 938 . 13 1 1 A 78 78 ASP H H 73 8.798 8.166 0.632 1
1 939 . 13 1 1 A 78 78 ASP CA C 73 58.163 56.902 1.261 1
1 940 . 13 1 1 A 78 78 ASP HA H 73 4.392 4.514 -0.122 1
1 941 . 13 1 1 A 78 78 ASP CB C 73 41.459 40.958 0.501 1
1 945 . 13 1 1 A 78 78 ASP C C 73 178.122 178.525 -0.403 1
1 946 . 13 1 1 A 79 79 ASP N N 74 119.762 119.976 -0.214 1
1 947 . 13 1 1 A 79 79 ASP H H 74 9.318 8.239 1.079 1
1 948 . 13 1 1 A 79 79 ASP CA C 74 57.122 57.282 -0.160 1
1 949 . 13 1 1 A 79 79 ASP HA H 74 4.405 4.356 0.049 1
1 950 . 13 1 1 A 79 79 ASP CB C 74 39.850 40.596 -0.746 1
1 954 . 13 1 1 A 79 79 ASP C C 74 178.921 178.705 0.216 1
1 955 . 13 1 1 A 80 80 THR N N 75 117.347 116.970 0.377 1
1 956 . 13 1 1 A 80 80 THR H H 75 8.084 8.307 -0.223 1
1 957 . 13 1 1 A 80 80 THR CA C 75 67.055 66.479 0.576 1
1 958 . 13 1 1 A 80 80 THR HA H 75 3.846 3.795 0.051 1
1 959 . 13 1 1 A 80 80 THR CB C 75 67.692 68.073 -0.381 1
1 965 . 13 1 1 A 80 80 THR C C 75 175.367 175.735 -0.368 1
1 966 . 13 1 1 A 81 81 TYR N N 76 123.735 120.830 2.905 1
1 967 . 13 1 1 A 81 81 TYR H H 76 8.830 8.237 0.593 1
1 968 . 13 1 1 A 81 81 TYR CA C 76 61.712 61.836 -0.124 1
1 969 . 13 1 1 A 81 81 TYR HA H 76 4.269 4.177 0.092 1
1 970 . 13 1 1 A 81 81 TYR CB C 76 38.639 38.802 -0.163 1
1 974 . 13 1 1 A 81 81 TYR C C 76 176.700 177.444 -0.744 1
1 975 . 13 1 1 A 82 82 ARG N N 77 118.508 120.117 -1.609 1
1 976 . 13 1 1 A 82 82 ARG H H 77 8.755 8.746 0.009 1
1 977 . 13 1 1 A 82 82 ARG CA C 77 58.776 58.858 -0.082 1
1 978 . 13 1 1 A 82 82 ARG HA H 77 3.892 4.265 -0.373 1
1 979 . 13 1 1 A 82 82 ARG CB C 77 29.459 30.339 -0.880 1
1 995 . 13 1 1 A 82 82 ARG C C 77 178.748 178.442 0.306 1
1 996 . 13 1 1 A 83 83 LYS N N 78 118.075 119.740 -1.665 1
1 997 . 13 1 1 A 83 83 LYS H H 78 7.696 7.826 -0.130 1
1 998 . 13 1 1 A 83 83 LYS CA C 78 58.614 59.055 -0.441 1
1 999 . 13 1 1 A 83 83 LYS HA H 78 4.031 4.100 -0.069 1
1 1000 . 13 1 1 A 83 83 LYS CB C 78 32.055 31.674 0.381 1
1 1005 . 13 1 1 A 83 83 LYS C C 78 177.890 178.703 -0.813 1
1 1006 . 13 1 1 A 84 84 MET N N 79 118.233 119.283 -1.050 1
1 1007 . 13 1 1 A 84 84 MET H H 79 7.748 7.845 -0.097 1
1 1008 . 13 1 1 A 84 84 MET CA C 79 57.254 58.130 -0.876 1
1 1009 . 13 1 1 A 84 84 MET HA H 79 4.189 4.158 0.031 1
1 1010 . 13 1 1 A 84 84 MET CB C 79 32.169 32.939 -0.770 1
1 1020 . 13 1 1 A 84 84 MET C C 79 177.036 176.547 0.489 1
1 1021 . 13 1 1 A 85 85 GLN N N 80 117.242 114.955 2.287 1
1 1022 . 13 1 1 A 85 85 GLN H H 80 7.843 7.359 0.484 1
1 1023 . 13 1 1 A 85 85 GLN CA C 80 56.500 54.677 1.823 1
1 1024 . 13 1 1 A 85 85 GLN HA H 80 3.993 4.476 -0.483 1
1 1025 . 13 1 1 A 85 85 GLN CB C 80 28.124 29.266 -1.142 1
1 1035 . 13 1 1 A 85 85 GLN C C 80 176.756 176.158 0.598 1
1 1036 . 13 1 1 A 86 86 ILE N N 81 119.178 115.035 4.143 1
1 1037 . 13 1 1 A 86 86 ILE H H 81 7.715 7.855 -0.140 1
1 1038 . 13 1 1 A 86 86 ILE CA C 81 61.995 63.712 -1.717 1
1 1039 . 13 1 1 A 86 86 ILE HA H 81 3.948 4.071 -0.123 1
1 1040 . 13 1 1 A 86 86 ILE CB C 81 37.856 36.408 1.448 1
1 1052 . 13 1 1 A 86 86 ILE C C 81 176.728 175.252 1.476 1
1 1053 . 13 1 1 A 87 87 GLN N N 82 121.380 119.968 1.412 1
1 1054 . 13 1 1 A 87 87 GLN H H 82 8.164 8.434 -0.270 1
1 1055 . 13 1 1 A 87 87 GLN CA C 82 56.075 57.057 -0.982 1
1 1056 . 13 1 1 A 87 87 GLN HA H 82 4.227 4.281 -0.054 1
1 1057 . 13 1 1 A 87 87 GLN CB C 82 28.735 28.127 0.608 1
1 1066 . 13 1 1 A 87 87 GLN C C 82 175.836 175.403 0.433 1
1 1067 . 13 1 1 A 88 88 CYS N N 83 118.668 122.286 -3.618 1
1 1068 . 13 1 1 A 88 88 CYS H H 83 8.238 8.441 -0.203 1
1 1069 . 13 1 1 A 88 88 CYS CA C 83 58.012 58.390 -0.378 1
1 1070 . 13 1 1 A 88 88 CYS HA H 83 4.475 4.488 -0.013 1
1 1071 . 13 1 1 A 88 88 CYS CB C 83 27.697 26.221 1.476 1
1 1074 . 13 1 1 A 88 88 CYS C C 83 173.428 174.318 -0.890 1
1 1075 . 13 1 1 A 89 89 ALA N N 84 127.014 124.977 2.037 1
1 1076 . 13 1 1 A 89 89 ALA H H 84 8.249 7.883 0.366 1
1 1077 . 13 1 1 A 89 89 ALA CA C 84 50.615 50.618 -0.003 1
1 1078 . 13 1 1 A 89 89 ALA HA H 84 4.562 4.316 0.246 1
1 1082 . 13 1 1 A 89 89 ALA CB C 84 17.465 19.715 -2.250 1
1 1083 . 13 1 1 A 89 89 ALA C C 84 175.125 177.468 -2.343 1
1 1085 . 13 1 1 A 90 90 PRO CA C 85 63.085 63.699 -0.614 1
1 1086 . 13 1 1 A 90 90 PRO HA H 85 4.386 4.423 -0.037 1
1 1087 . 13 1 1 A 90 90 PRO CB C 85 31.491 31.917 -0.426 1
1 1095 . 13 1 1 A 90 90 PRO C C 85 176.381 177.106 -0.725 1
1 1096 . 13 1 1 A 91 91 ASP N N 86 119.209 118.793 0.416 1
1 1097 . 13 1 1 A 91 91 ASP H H 86 8.429 8.197 0.232 1
1 1098 . 13 1 1 A 91 91 ASP CA C 86 53.752 55.051 -1.299 1
1 1099 . 13 1 1 A 91 91 ASP HA H 86 4.394 4.287 0.107 1
1 1100 . 13 1 1 A 91 91 ASP CB C 86 40.319 39.538 0.781 1
1 1103 . 13 1 1 A 91 91 ASP C C 86 176.101 175.307 0.794 1
1 1104 . 13 1 1 A 92 92 LEU N N 87 122.571 118.396 4.175 1
1 1105 . 13 1 1 A 92 92 LEU H H 87 8.208 8.344 -0.136 1
1 1106 . 13 1 1 A 92 92 LEU CA C 87 55.327 55.892 -0.565 1
1 1107 . 13 1 1 A 92 92 LEU HA H 87 4.205 3.957 0.248 1
1 1108 . 13 1 1 A 92 92 LEU CB C 87 41.636 40.826 0.810 1
1 1121 . 13 1 1 A 92 92 LEU C C 87 177.406 175.723 1.683 1
1 1122 . 13 1 1 A 93 93 ALA N N 88 123.131 116.517 6.614 1
1 1123 . 13 1 1 A 93 93 ALA H H 88 8.305 8.227 0.078 1
1 1124 . 13 1 1 A 93 93 ALA CA C 88 52.823 53.224 -0.401 1
1 1125 . 13 1 1 A 93 93 ALA HA H 88 4.245 3.937 0.308 1
1 1129 . 13 1 1 A 93 93 ALA CB C 88 18.496 17.231 1.265 1
1 1130 . 13 1 1 A 93 93 ALA C C 88 178.033 176.558 1.475 1
1 1131 . 13 1 1 A 94 94 THR N N 89 112.097 102.479 9.618 1
1 1132 . 13 1 1 A 94 94 THR H H 89 7.994 7.916 0.078 1
1 1133 . 13 1 1 A 94 94 THR CA C 89 61.892 61.736 0.156 1
1 1134 . 13 1 1 A 94 94 THR HA H 89 4.247 4.089 0.158 1
1 1135 . 13 1 1 A 94 94 THR CB C 89 69.076 67.870 1.206 1
1 1141 . 13 1 1 A 94 94 THR C C 89 174.478 174.349 0.129 1
1 1142 . 13 1 1 A 95 95 ARG N N 90 122.704 127.263 -4.559 1
1 1143 . 13 1 1 A 95 95 ARG H H 90 8.211 8.767 -0.556 1
1 1144 . 13 1 1 A 95 95 ARG CA C 90 55.803 55.923 -0.120 1
1 1145 . 13 1 1 A 95 95 ARG HA H 90 4.336 4.557 -0.221 1
1 1146 . 13 1 1 A 95 95 ARG CB C 90 30.263 30.145 0.118 1
1 1157 . 13 1 1 A 95 95 ARG C C 90 175.958 176.563 -0.605 1
1 1158 . 13 1 1 A 96 96 SER N N 91 116.390 115.218 1.172 1
1 1159 . 13 1 1 A 96 96 SER H H 91 8.365 7.697 0.668 1
1 1160 . 13 1 1 A 96 96 SER CA C 91 58.011 57.634 0.377 1
1 1161 . 13 1 1 A 96 96 SER HA H 91 4.383 4.974 -0.591 1
1 1162 . 13 1 1 A 96 96 SER CB C 91 63.261 63.959 -0.698 1
1 1165 . 13 1 1 A 96 96 SER C C 91 174.016 174.784 -0.768 1
1 1166 . 13 1 1 A 97 97 HIS N N 92 120.507 120.347 0.160 1
1 1167 . 13 1 1 A 97 97 HIS H H 92 8.541 8.213 0.328 1
1 1168 . 13 1 1 A 97 97 HIS CA C 92 55.068 58.317 -3.249 1
1 1169 . 13 1 1 A 97 97 HIS HA H 92 4.707 4.415 0.292 1
1 1170 . 13 1 1 A 97 97 HIS CB C 92 28.839 29.880 -1.041 1
1 1173 . 13 1 1 A 97 97 HIS C C 92 174.186 175.599 -1.413 1
1 1174 . 13 1 1 A 98 98 SER N N 93 116.801 109.930 6.871 1
1 1175 . 13 1 1 A 98 98 SER H H 93 8.455 7.682 0.773 1
1 1176 . 13 1 1 A 98 98 SER CA C 93 58.046 57.532 0.514 1
1 1177 . 13 1 1 A 98 98 SER HA H 93 4.450 4.697 -0.247 1
1 1178 . 13 1 1 A 98 98 SER CB C 93 63.434 65.690 -2.256 1
1 1181 . 13 1 1 A 98 98 SER C C 93 174.553 173.027 1.526 1
1 1182 . 13 1 1 A 99 99 GLY N N 94 111.114 113.428 -2.314 1
1 1183 . 13 1 1 A 99 99 GLY H H 94 8.597 8.640 -0.043 1
1 1184 . 13 1 1 A 99 99 GLY CA C 94 44.888 44.507 0.381 1
1 1185 . 13 1 1 A 99 99 GLY HA2 H 94 3.998 4.134 -0.136 1
1 1186 . 13 1 1 A 99 99 GLY HA3 H 94 3.998 4.139 -0.141 1
1 1187 . 13 1 1 A 99 99 GLY C C 94 173.856 174.280 -0.424 1
1 1188 . 13 1 1 A 100 100 SER N N 95 115.398 114.181 1.217 1
1 1189 . 13 1 1 A 100 100 SER H H 95 8.311 8.688 -0.377 1
1 1190 . 13 1 1 A 100 100 SER CA C 95 57.909 60.332 -2.423 1
1 1191 . 13 1 1 A 100 100 SER HA H 95 4.422 4.286 0.136 1
1 1192 . 13 1 1 A 100 100 SER CB C 95 63.377 61.169 2.208 1
1 1195 . 13 1 1 A 100 100 SER C C 95 173.695 174.166 -0.471 1
1 1196 . 13 1 1 A 101 101 ASP N N 96 121.810 118.468 3.342 1
1 1197 . 13 1 1 A 101 101 ASP H H 96 8.380 8.382 -0.002 1
1 1198 . 13 1 1 A 101 101 ASP CA C 96 53.797 54.227 -0.430 1
1 1199 . 13 1 1 A 101 101 ASP HA H 96 4.546 4.932 -0.386 1
1 1200 . 13 1 1 A 101 101 ASP CB C 96 40.440 42.447 -2.007 1
1 1203 . 13 1 1 A 101 101 ASP C C 96 175.547 176.621 -1.074 1
1 1204 . 13 1 1 A 102 102 PHE N N 97 120.706 117.455 3.251 1
1 1205 . 13 1 1 A 102 102 PHE H H 97 8.249 8.053 0.196 1
1 1206 . 13 1 1 A 102 102 PHE CA C 97 57.444 57.664 -0.220 1
1 1207 . 13 1 1 A 102 102 PHE HA H 97 4.546 4.655 -0.109 1
1 1208 . 13 1 1 A 102 102 PHE CB C 97 38.772 39.300 -0.528 1
1 1214 . 13 1 1 A 102 102 PHE C C 97 175.312 176.382 -1.070 1
1 1215 . 13 1 1 A 103 103 SER N N 98 116.992 111.962 5.030 1
1 1216 . 13 1 1 A 103 103 SER H H 98 8.167 7.837 0.330 1
1 1217 . 13 1 1 A 103 103 SER CA C 98 57.983 57.547 0.436 1
1 1218 . 13 1 1 A 103 103 SER HA H 98 4.314 4.811 -0.497 1
1 1219 . 13 1 1 A 103 103 SER CB C 98 63.384 63.350 0.034 1
1 1222 . 13 1 1 A 103 103 SER C C 98 173.286 173.596 -0.310 1
1 1223 . 13 1 1 A 104 104 PHE N N 99 122.000 121.665 0.335 1
1 1224 . 13 1 1 A 104 104 PHE H H 99 8.170 7.896 0.274 1
1 1225 . 13 1 1 A 104 104 PHE CA C 99 57.354 57.409 -0.055 1
1 1226 . 13 1 1 A 104 104 PHE HA H 99 4.545 4.797 -0.252 1
1 1227 . 13 1 1 A 104 104 PHE CB C 99 39.045 39.428 -0.383 1
1 1233 . 13 1 1 A 104 104 PHE C C 99 174.621 173.601 1.020 1
1 1234 . 13 1 1 A 105 105 ARG N N 100 124.796 124.671 0.125 1
1 1235 . 13 1 1 A 105 105 ARG H H 100 8.101 7.604 0.497 1
1 1236 . 13 1 1 A 105 105 ARG CA C 100 52.919 53.475 -0.556 1
1 1237 . 13 1 1 A 105 105 ARG HA H 100 4.542 4.790 -0.248 1
1 1238 . 13 1 1 A 105 105 ARG CB C 100 29.973 31.559 -1.586 1
1 1247 . 13 1 1 A 105 105 ARG C C 100 172.924 174.027 -1.103 1
1 1249 . 13 1 1 A 106 106 PRO CA C 101 62.366 62.300 0.066 1
1 1250 . 13 1 1 A 106 106 PRO HA H 101 4.349 4.689 -0.340 1
1 1251 . 13 1 1 A 106 106 PRO CB C 101 31.609 33.262 -1.653 1
1 1259 . 13 1 1 A 106 106 PRO C C 101 176.395 176.354 0.041 1
1 1260 . 13 1 1 A 107 107 ILE N N 102 121.380 120.990 0.390 1
1 1261 . 13 1 1 A 107 107 ILE H H 102 8.350 8.431 -0.081 1
1 1262 . 13 1 1 A 107 107 ILE CA C 102 60.925 60.438 0.487 1
1 1263 . 13 1 1 A 107 107 ILE HA H 102 4.050 4.571 -0.521 1
1 1264 . 13 1 1 A 107 107 ILE CB C 102 38.165 38.930 -0.765 1
1 1277 . 13 1 1 A 107 107 ILE C C 102 175.990 176.571 -0.581 1
1 1278 . 13 1 1 A 108 108 GLU N N 103 124.836 124.109 0.727 1
1 1279 . 13 1 1 A 108 108 GLU H H 103 8.578 8.106 0.472 1
1 1280 . 13 1 1 A 108 108 GLU CA C 103 55.915 59.224 -3.309 1
1 1281 . 13 1 1 A 108 108 GLU HA H 103 4.279 3.996 0.283 1
1 1282 . 13 1 1 A 108 108 GLU CB C 103 29.902 29.673 0.229 1
1 1288 . 13 1 1 A 108 108 GLU C C 103 175.678 176.836 -1.158 1
1 1289 . 13 1 1 A 109 109 GLU N N 104 122.847 118.309 4.538 1
1 1290 . 13 1 1 A 109 109 GLU H H 104 8.459 7.806 0.653 1
1 1291 . 13 1 1 A 109 109 GLU CA C 104 55.845 55.717 0.128 1
1 1292 . 13 1 1 A 109 109 GLU HA H 104 4.273 4.488 -0.215 1
1 1293 . 13 1 1 A 109 109 GLU CB C 104 29.990 30.178 -0.188 1
1 1299 . 13 1 1 A 109 109 GLU C C 104 174.661 175.928 -1.267 1
1 3 . 14 1 1 A 2 2 SER N N -4 115.528 119.830 -4.302 1
1 4 . 14 1 1 A 2 2 SER H H -4 8.751 8.848 -0.097 1
1 5 . 14 1 1 A 2 2 SER CA C -4 57.819 59.089 -1.270 1
1 6 . 14 1 1 A 2 2 SER HA H -4 4.461 4.466 -0.005 1
1 7 . 14 1 1 A 2 2 SER CB C -4 63.389 65.965 -2.576 1
1 8 . 14 1 1 A 2 2 SER C C -4 173.924 172.868 1.056 1
1 9 . 14 1 1 A 3 3 HIS N N -3 120.998 115.635 5.363 1
1 10 . 14 1 1 A 3 3 HIS H H -3 8.769 7.857 0.912 1
1 11 . 14 1 1 A 3 3 HIS CA C -3 55.238 54.782 0.456 1
1 12 . 14 1 1 A 3 3 HIS HA H -3 4.703 5.107 -0.404 1
1 13 . 14 1 1 A 3 3 HIS CB C -3 28.916 31.233 -2.317 1
1 16 . 14 1 1 A 3 3 HIS C C -3 174.207 174.154 0.053 1
1 17 . 14 1 1 A 4 4 MET N N -2 122.227 123.043 -0.816 1
1 18 . 14 1 1 A 4 4 MET H H -2 8.518 8.865 -0.347 1
1 19 . 14 1 1 A 4 4 MET CA C -2 55.003 56.027 -1.024 1
1 20 . 14 1 1 A 4 4 MET HA H -2 4.420 4.630 -0.210 1
1 21 . 14 1 1 A 4 4 MET CB C -2 32.578 34.056 -1.478 1
1 31 . 14 1 1 A 4 4 MET C C -2 175.475 176.322 -0.847 1
1 49 . 14 1 1 A 7 7 ALA N N 2 124.543 123.481 1.062 1
1 50 . 14 1 1 A 7 7 ALA H H 2 8.453 8.201 0.252 1
1 51 . 14 1 1 A 7 7 ALA CA C 2 53.203 54.733 -1.530 1
1 52 . 14 1 1 A 7 7 ALA HA H 2 4.211 4.098 0.113 1
1 56 . 14 1 1 A 7 7 ALA CB C 2 18.387 18.096 0.291 1
1 57 . 14 1 1 A 7 7 ALA C C 2 178.091 179.368 -1.277 1
1 58 . 14 1 1 A 8 8 ASP N N 3 118.618 118.838 -0.220 1
1 59 . 14 1 1 A 8 8 ASP H H 3 8.064 7.887 0.177 1
1 60 . 14 1 1 A 8 8 ASP CA C 3 54.381 56.674 -2.293 1
1 61 . 14 1 1 A 8 8 ASP HA H 3 4.551 4.346 0.205 1
1 62 . 14 1 1 A 8 8 ASP CB C 3 40.446 40.878 -0.432 1
1 65 . 14 1 1 A 8 8 ASP C C 3 176.662 178.290 -1.628 1
1 66 . 14 1 1 A 9 9 LEU N N 4 123.427 120.474 2.953 1
1 67 . 14 1 1 A 9 9 LEU H H 4 8.202 7.953 0.249 1
1 68 . 14 1 1 A 9 9 LEU CA C 4 57.491 57.944 -0.453 1
1 69 . 14 1 1 A 9 9 LEU HA H 4 4.084 4.031 0.053 1
1 70 . 14 1 1 A 9 9 LEU CB C 4 41.745 41.639 0.106 1
1 80 . 14 1 1 A 9 9 LEU C C 4 178.873 178.706 0.167 1
1 81 . 14 1 1 A 10 10 VAL N N 5 119.385 119.147 0.238 1
1 82 . 14 1 1 A 10 10 VAL H H 5 8.186 8.354 -0.168 1
1 83 . 14 1 1 A 10 10 VAL CA C 5 66.686 66.706 -0.020 1
1 84 . 14 1 1 A 10 10 VAL HA H 5 3.435 3.515 -0.080 1
1 85 . 14 1 1 A 10 10 VAL CB C 5 31.135 31.580 -0.445 1
1 95 . 14 1 1 A 10 10 VAL C C 5 177.408 177.842 -0.434 1
1 96 . 14 1 1 A 11 11 SER N N 6 115.027 116.045 -1.018 1
1 97 . 14 1 1 A 11 11 SER H H 6 8.252 8.094 0.158 1
1 98 . 14 1 1 A 11 11 SER CA C 6 61.229 62.194 -0.965 1
1 99 . 14 1 1 A 11 11 SER HA H 6 4.068 4.098 -0.030 1
1 100 . 14 1 1 A 11 11 SER CB C 6 62.054 62.658 -0.604 1
1 103 . 14 1 1 A 11 11 SER C C 6 176.036 176.280 -0.244 1
1 104 . 14 1 1 A 12 12 SER N N 7 115.144 115.934 -0.790 1
1 105 . 14 1 1 A 12 12 SER H H 7 8.053 7.972 0.081 1
1 106 . 14 1 1 A 12 12 SER CA C 7 60.212 61.606 -1.394 1
1 107 . 14 1 1 A 12 12 SER HA H 7 4.309 4.084 0.225 1
1 108 . 14 1 1 A 12 12 SER CB C 7 62.720 62.908 -0.188 1
1 111 . 14 1 1 A 12 12 SER C C 7 176.540 177.269 -0.729 1
1 112 . 14 1 1 A 13 13 CYS N N 8 118.211 119.192 -0.981 1
1 113 . 14 1 1 A 13 13 CYS H H 8 7.919 8.475 -0.556 1
1 114 . 14 1 1 A 13 13 CYS CA C 8 63.729 63.953 -0.224 1
1 115 . 14 1 1 A 13 13 CYS HA H 8 4.046 4.017 0.029 1
1 116 . 14 1 1 A 13 13 CYS CB C 8 26.703 26.945 -0.242 1
1 119 . 14 1 1 A 13 13 CYS C C 8 175.645 177.016 -1.371 1
1 120 . 14 1 1 A 14 14 LYS N N 9 120.074 121.395 -1.321 1
1 121 . 14 1 1 A 14 14 LYS H H 9 8.632 8.119 0.513 1
1 122 . 14 1 1 A 14 14 LYS CA C 9 60.438 59.665 0.773 1
1 123 . 14 1 1 A 14 14 LYS HA H 9 3.668 3.986 -0.318 1
1 124 . 14 1 1 A 14 14 LYS CB C 9 31.655 32.049 -0.394 1
1 136 . 14 1 1 A 14 14 LYS C C 9 177.590 177.773 -0.183 1
1 137 . 14 1 1 A 15 15 ASP N N 10 117.611 119.537 -1.926 1
1 138 . 14 1 1 A 15 15 ASP H H 10 7.732 8.152 -0.420 1
1 139 . 14 1 1 A 15 15 ASP CA C 10 56.325 57.399 -1.074 1
1 140 . 14 1 1 A 15 15 ASP HA H 10 4.320 4.287 0.033 1
1 141 . 14 1 1 A 15 15 ASP CB C 10 40.092 41.720 -1.628 1
1 144 . 14 1 1 A 15 15 ASP C C 10 177.731 178.598 -0.867 1
1 145 . 14 1 1 A 16 16 LYS N N 11 117.878 119.994 -2.116 1
1 146 . 14 1 1 A 16 16 LYS H H 11 7.254 7.789 -0.535 1
1 147 . 14 1 1 A 16 16 LYS CA C 11 58.984 59.574 -0.590 1
1 148 . 14 1 1 A 16 16 LYS HA H 11 3.662 4.281 -0.619 1
1 149 . 14 1 1 A 16 16 LYS CB C 11 32.933 32.012 0.921 1
1 158 . 14 1 1 A 16 16 LYS C C 11 177.350 178.749 -1.399 1
1 159 . 14 1 1 A 17 17 LEU N N 12 115.652 120.776 -5.124 1
1 160 . 14 1 1 A 17 17 LEU H H 12 8.138 8.534 -0.396 1
1 161 . 14 1 1 A 17 17 LEU CA C 12 56.722 58.044 -1.322 1
1 162 . 14 1 1 A 17 17 LEU HA H 12 3.588 4.119 -0.531 1
1 163 . 14 1 1 A 17 17 LEU CB C 12 41.870 41.221 0.649 1
1 174 . 14 1 1 A 17 17 LEU C C 12 177.545 178.392 -0.847 1
1 175 . 14 1 1 A 18 18 ALA N N 13 116.045 120.764 -4.719 1
1 176 . 14 1 1 A 18 18 ALA H H 13 7.080 8.538 -1.458 1
1 177 . 14 1 1 A 18 18 ALA CA C 13 53.475 54.815 -1.340 1
1 178 . 14 1 1 A 18 18 ALA HA H 13 3.984 4.182 -0.198 1
1 182 . 14 1 1 A 18 18 ALA CB C 13 18.121 18.342 -0.221 1
1 183 . 14 1 1 A 18 18 ALA C C 13 178.298 180.184 -1.886 1
1 184 . 14 1 1 A 19 19 TYR N N 14 115.556 119.491 -3.935 1
1 185 . 14 1 1 A 19 19 TYR H H 14 7.675 7.817 -0.142 1
1 186 . 14 1 1 A 19 19 TYR CA C 14 58.741 60.035 -1.294 1
1 187 . 14 1 1 A 19 19 TYR HA H 14 4.323 4.214 0.109 1
1 188 . 14 1 1 A 19 19 TYR CB C 14 38.610 39.408 -0.798 1
1 193 . 14 1 1 A 19 19 TYR C C 14 176.007 175.432 0.575 1
1 194 . 14 1 1 A 20 20 PHE N N 15 118.275 119.564 -1.289 1
1 195 . 14 1 1 A 20 20 PHE H H 15 7.406 7.868 -0.462 1
1 196 . 14 1 1 A 20 20 PHE CA C 15 56.542 56.932 -0.390 1
1 197 . 14 1 1 A 20 20 PHE HA H 15 4.652 4.828 -0.176 1
1 198 . 14 1 1 A 20 20 PHE CB C 15 38.561 41.069 -2.508 1
1 202 . 14 1 1 A 20 20 PHE C C 15 176.160 175.813 0.347 1
1 203 . 14 1 1 A 21 21 ARG N N 16 119.140 121.394 -2.254 1
1 204 . 14 1 1 A 21 21 ARG H H 16 8.714 8.648 0.066 1
1 205 . 14 1 1 A 21 21 ARG CA C 16 54.474 56.273 -1.799 1
1 206 . 14 1 1 A 21 21 ARG HA H 16 4.747 4.339 0.408 1
1 207 . 14 1 1 A 21 21 ARG CB C 16 30.097 31.340 -1.243 1
1 223 . 14 1 1 A 21 21 ARG C C 16 177.095 177.789 -0.694 1
1 224 . 14 1 1 A 22 22 ILE N N 17 120.734 122.131 -1.397 1
1 225 . 14 1 1 A 22 22 ILE H H 17 8.708 8.758 -0.050 1
1 226 . 14 1 1 A 22 22 ILE CA C 17 65.114 64.518 0.596 1
1 227 . 14 1 1 A 22 22 ILE HA H 17 3.740 3.731 0.009 1
1 228 . 14 1 1 A 22 22 ILE CB C 17 36.768 37.519 -0.751 1
1 241 . 14 1 1 A 22 22 ILE C C 17 176.639 177.998 -1.359 1
1 242 . 14 1 1 A 23 23 LYS N N 18 118.184 121.883 -3.699 1
1 243 . 14 1 1 A 23 23 LYS H H 18 8.267 8.351 -0.084 1
1 244 . 14 1 1 A 23 23 LYS CA C 18 59.978 60.017 -0.039 1
1 245 . 14 1 1 A 23 23 LYS HA H 18 3.909 3.905 0.004 1
1 246 . 14 1 1 A 23 23 LYS CB C 18 32.191 32.351 -0.160 1
1 258 . 14 1 1 A 23 23 LYS C C 18 178.185 179.120 -0.935 1
1 259 . 14 1 1 A 24 24 GLU N N 19 117.651 119.080 -1.429 1
1 260 . 14 1 1 A 24 24 GLU H H 19 7.198 7.915 -0.717 1
1 261 . 14 1 1 A 24 24 GLU CA C 19 60.601 58.891 1.710 1
1 262 . 14 1 1 A 24 24 GLU HA H 19 4.056 3.988 0.068 1
1 263 . 14 1 1 A 24 24 GLU CB C 19 28.859 29.284 -0.425 1
1 269 . 14 1 1 A 24 24 GLU C C 19 178.542 179.472 -0.930 1
1 270 . 14 1 1 A 25 25 LEU N N 20 119.236 120.164 -0.928 1
1 271 . 14 1 1 A 25 25 LEU H H 20 7.980 8.395 -0.415 1
1 272 . 14 1 1 A 25 25 LEU CA C 20 57.812 57.984 -0.172 1
1 273 . 14 1 1 A 25 25 LEU HA H 20 3.947 3.997 -0.050 1
1 274 . 14 1 1 A 25 25 LEU CB C 20 42.172 40.811 1.361 1
1 281 . 14 1 1 A 25 25 LEU C C 20 178.081 179.385 -1.304 1
1 282 . 14 1 1 A 26 26 LYS N N 21 117.457 121.103 -3.646 1
1 283 . 14 1 1 A 26 26 LYS H H 21 8.770 8.454 0.316 1
1 284 . 14 1 1 A 26 26 LYS CA C 21 60.741 59.740 1.001 1
1 285 . 14 1 1 A 26 26 LYS HA H 21 3.806 3.957 -0.151 1
1 286 . 14 1 1 A 26 26 LYS CB C 21 31.876 32.000 -0.124 1
1 287 . 14 1 1 A 26 26 LYS C C 21 177.659 178.442 -0.783 1
1 288 . 14 1 1 A 27 27 ASP N N 22 119.023 119.563 -0.540 1
1 289 . 14 1 1 A 27 27 ASP H H 22 7.671 8.097 -0.426 1
1 290 . 14 1 1 A 27 27 ASP CA C 22 56.971 57.764 -0.793 1
1 291 . 14 1 1 A 27 27 ASP HA H 22 4.409 4.331 0.078 1
1 292 . 14 1 1 A 27 27 ASP CB C 22 40.196 41.896 -1.700 1
1 295 . 14 1 1 A 27 27 ASP C C 22 180.796 178.715 2.081 1
1 296 . 14 1 1 A 28 28 ILE N N 23 119.318 119.297 0.021 1
1 297 . 14 1 1 A 28 28 ILE H H 23 8.039 7.848 0.191 1
1 298 . 14 1 1 A 28 28 ILE CA C 23 65.328 65.475 -0.147 1
1 299 . 14 1 1 A 28 28 ILE HA H 23 3.601 3.632 -0.031 1
1 300 . 14 1 1 A 28 28 ILE CB C 23 37.309 38.179 -0.870 1
1 313 . 14 1 1 A 28 28 ILE C C 23 177.251 178.302 -1.051 1
1 314 . 14 1 1 A 29 29 LEU N N 24 120.356 121.274 -0.918 1
1 315 . 14 1 1 A 29 29 LEU H H 24 8.220 8.270 -0.050 1
1 316 . 14 1 1 A 29 29 LEU CA C 24 58.535 58.255 0.280 1
1 317 . 14 1 1 A 29 29 LEU HA H 24 3.824 4.006 -0.182 1
1 318 . 14 1 1 A 29 29 LEU CB C 24 39.478 41.390 -1.912 1
1 326 . 14 1 1 A 29 29 LEU C C 24 178.599 178.326 0.273 1
1 327 . 14 1 1 A 30 30 ASN N N 25 117.446 117.166 0.280 1
1 328 . 14 1 1 A 30 30 ASN H H 25 8.687 8.571 0.116 1
1 329 . 14 1 1 A 30 30 ASN CA C 25 56.241 56.980 -0.739 1
1 330 . 14 1 1 A 30 30 ASN HA H 25 4.520 4.350 0.170 1
1 331 . 14 1 1 A 30 30 ASN CB C 25 38.899 38.937 -0.038 1
1 338 . 14 1 1 A 30 30 ASN C C 25 178.958 177.884 1.074 1
1 339 . 14 1 1 A 31 31 GLN N N 26 119.946 118.053 1.893 1
1 340 . 14 1 1 A 31 31 GLN H H 26 8.184 7.813 0.371 1
1 341 . 14 1 1 A 31 31 GLN CA C 26 58.779 58.795 -0.016 1
1 342 . 14 1 1 A 31 31 GLN HA H 26 4.055 4.027 0.028 1
1 343 . 14 1 1 A 31 31 GLN CB C 26 29.109 28.316 0.793 1
1 353 . 14 1 1 A 31 31 GLN C C 26 177.586 179.296 -1.710 1
1 354 . 14 1 1 A 32 32 LEU N N 27 116.979 117.891 -0.912 1
1 355 . 14 1 1 A 32 32 LEU H H 27 7.893 7.573 0.320 1
1 356 . 14 1 1 A 32 32 LEU CA C 27 54.393 55.907 -1.514 1
1 357 . 14 1 1 A 32 32 LEU HA H 27 4.240 4.151 0.089 1
1 358 . 14 1 1 A 32 32 LEU CB C 27 42.566 42.686 -0.120 1
1 369 . 14 1 1 A 32 32 LEU C C 27 175.693 177.218 -1.525 1
1 370 . 14 1 1 A 33 33 GLY N N 28 108.299 105.799 2.500 1
1 371 . 14 1 1 A 33 33 GLY H H 28 7.834 7.510 0.324 1
1 372 . 14 1 1 A 33 33 GLY CA C 28 45.707 44.812 0.895 1
1 373 . 14 1 1 A 33 33 GLY HA2 H 28 3.952 3.997 -0.045 1
1 374 . 14 1 1 A 33 33 GLY HA3 H 28 3.952 3.999 -0.047 1
1 375 . 14 1 1 A 33 33 GLY C C 28 174.317 174.513 -0.196 1
1 376 . 14 1 1 A 34 34 LEU N N 29 120.833 122.613 -1.780 1
1 377 . 14 1 1 A 34 34 LEU H H 29 7.986 7.542 0.444 1
1 378 . 14 1 1 A 34 34 LEU CA C 29 51.600 53.894 -2.294 1
1 379 . 14 1 1 A 34 34 LEU HA H 29 4.760 4.271 0.489 1
1 380 . 14 1 1 A 34 34 LEU CB C 29 43.531 41.444 2.087 1
1 392 . 14 1 1 A 35 35 PRO CA C 30 62.741 62.337 0.404 1
1 393 . 14 1 1 A 35 35 PRO HA H 30 4.365 4.508 -0.143 1
1 394 . 14 1 1 A 35 35 PRO CB C 30 31.856 32.738 -0.882 1
1 402 . 14 1 1 A 35 35 PRO C C 30 177.334 177.097 0.237 1
1 403 . 14 1 1 A 36 36 LYS N N 31 117.589 120.990 -3.401 1
1 404 . 14 1 1 A 36 36 LYS H H 31 8.380 8.942 -0.562 1
1 405 . 14 1 1 A 36 36 LYS CA C 31 55.569 59.283 -3.714 1
1 406 . 14 1 1 A 36 36 LYS HA H 31 4.288 3.970 0.318 1
1 407 . 14 1 1 A 36 36 LYS CB C 31 33.225 32.273 0.952 1
1 417 . 14 1 1 A 36 36 LYS C C 31 174.406 176.797 -2.391 1
1 418 . 14 1 1 A 37 37 GLN N N 32 118.260 117.252 1.008 1
1 419 . 14 1 1 A 37 37 GLN H H 32 7.698 7.711 -0.013 1
1 420 . 14 1 1 A 37 37 GLN CA C 32 55.716 54.735 0.981 1
1 421 . 14 1 1 A 37 37 GLN HA H 32 4.392 4.331 0.061 1
1 422 . 14 1 1 A 37 37 GLN CB C 32 28.251 30.078 -1.827 1
1 432 . 14 1 1 A 37 37 GLN C C 32 175.122 175.779 -0.657 1
1 433 . 14 1 1 A 38 38 GLY N N 33 109.855 108.472 1.383 1
1 434 . 14 1 1 A 38 38 GLY H H 33 8.449 8.590 -0.141 1
1 435 . 14 1 1 A 38 38 GLY CA C 33 43.315 45.090 -1.775 1
1 436 . 14 1 1 A 38 38 GLY HA2 H 33 4.600 4.153 0.447 1
1 437 . 14 1 1 A 38 38 GLY HA3 H 33 3.803 4.153 -0.350 1
1 438 . 14 1 1 A 38 38 GLY C C 33 173.537 173.792 -0.255 1
1 439 . 14 1 1 A 39 39 LYS N N 34 117.627 122.525 -4.898 1
1 440 . 14 1 1 A 39 39 LYS H H 34 8.649 8.271 0.378 1
1 441 . 14 1 1 A 39 39 LYS CA C 34 54.916 55.931 -1.015 1
1 442 . 14 1 1 A 39 39 LYS HA H 34 4.395 4.387 0.008 1
1 443 . 14 1 1 A 39 39 LYS CB C 34 32.893 33.271 -0.378 1
1 455 . 14 1 1 A 39 39 LYS C C 34 176.803 177.403 -0.600 1
1 456 . 14 1 1 A 40 40 LYS N N 35 121.705 119.199 2.506 1
1 457 . 14 1 1 A 40 40 LYS H H 35 8.920 8.880 0.040 1
1 458 . 14 1 1 A 40 40 LYS CA C 35 61.574 59.794 1.780 1
1 459 . 14 1 1 A 40 40 LYS HA H 35 3.599 3.924 -0.325 1
1 460 . 14 1 1 A 40 40 LYS CB C 35 31.924 32.133 -0.209 1
1 472 . 14 1 1 A 40 40 LYS C C 35 177.366 178.331 -0.965 1
1 473 . 14 1 1 A 41 41 GLN N N 36 114.634 118.892 -4.258 1
1 474 . 14 1 1 A 41 41 GLN H H 36 9.017 7.819 1.198 1
1 475 . 14 1 1 A 41 41 GLN CA C 36 57.636 58.647 -1.011 1
1 476 . 14 1 1 A 41 41 GLN HA H 36 3.731 4.060 -0.329 1
1 477 . 14 1 1 A 41 41 GLN CB C 36 27.865 28.390 -0.525 1
1 487 . 14 1 1 A 41 41 GLN C C 36 176.872 178.325 -1.453 1
1 488 . 14 1 1 A 42 42 ASP N N 37 115.980 119.995 -4.015 1
1 489 . 14 1 1 A 42 42 ASP H H 37 7.047 8.155 -1.108 1
1 490 . 14 1 1 A 42 42 ASP CA C 37 56.593 57.437 -0.844 1
1 491 . 14 1 1 A 42 42 ASP HA H 37 4.297 4.326 -0.029 1
1 492 . 14 1 1 A 42 42 ASP CB C 37 39.839 40.819 -0.980 1
1 495 . 14 1 1 A 42 42 ASP C C 37 178.454 179.017 -0.563 1
1 496 . 14 1 1 A 43 43 LEU N N 38 119.074 120.305 -1.231 1
1 497 . 14 1 1 A 43 43 LEU H H 38 7.725 8.211 -0.486 1
1 498 . 14 1 1 A 43 43 LEU CA C 38 57.713 58.020 -0.307 1
1 499 . 14 1 1 A 43 43 LEU HA H 38 3.787 3.958 -0.171 1
1 500 . 14 1 1 A 43 43 LEU CB C 38 40.214 42.200 -1.986 1
1 513 . 14 1 1 A 43 43 LEU C C 38 177.872 179.028 -1.156 1
1 514 . 14 1 1 A 44 44 ILE N N 39 118.343 118.360 -0.017 1
1 515 . 14 1 1 A 44 44 ILE H H 39 7.867 8.148 -0.281 1
1 516 . 14 1 1 A 44 44 ILE CA C 39 66.090 65.534 0.556 1
1 517 . 14 1 1 A 44 44 ILE HA H 39 3.321 3.527 -0.206 1
1 518 . 14 1 1 A 44 44 ILE CB C 39 38.013 37.740 0.273 1
1 528 . 14 1 1 A 44 44 ILE C C 39 177.711 177.801 -0.090 1
1 529 . 14 1 1 A 45 45 ASP N N 40 118.533 120.296 -1.763 1
1 530 . 14 1 1 A 45 45 ASP H H 40 8.503 8.496 0.007 1
1 531 . 14 1 1 A 45 45 ASP CA C 40 57.009 57.296 -0.287 1
1 532 . 14 1 1 A 45 45 ASP HA H 40 4.272 4.414 -0.142 1
1 533 . 14 1 1 A 45 45 ASP CB C 40 39.419 41.494 -2.075 1
1 536 . 14 1 1 A 45 45 ASP C C 40 178.392 178.710 -0.318 1
1 537 . 14 1 1 A 46 46 ARG N N 41 120.911 119.373 1.538 1
1 538 . 14 1 1 A 46 46 ARG H H 41 7.717 7.773 -0.056 1
1 539 . 14 1 1 A 46 46 ARG CA C 41 59.048 59.651 -0.603 1
1 540 . 14 1 1 A 46 46 ARG HA H 41 3.991 4.072 -0.081 1
1 541 . 14 1 1 A 46 46 ARG CB C 41 29.817 30.374 -0.557 1
1 550 . 14 1 1 A 46 46 ARG C C 41 177.537 178.491 -0.954 1
1 551 . 14 1 1 A 47 47 VAL N N 42 117.438 119.424 -1.986 1
1 552 . 14 1 1 A 47 47 VAL H H 42 7.445 7.973 -0.528 1
1 553 . 14 1 1 A 47 47 VAL CA C 42 65.881 66.346 -0.465 1
1 554 . 14 1 1 A 47 47 VAL HA H 42 3.442 3.690 -0.248 1
1 555 . 14 1 1 A 47 47 VAL CB C 42 30.931 31.742 -0.811 1
1 565 . 14 1 1 A 47 47 VAL C C 42 177.671 178.124 -0.453 1
1 566 . 14 1 1 A 48 48 LEU N N 43 117.085 117.701 -0.616 1
1 567 . 14 1 1 A 48 48 LEU H H 43 8.466 8.095 0.371 1
1 568 . 14 1 1 A 48 48 LEU CA C 43 57.248 57.704 -0.456 1
1 569 . 14 1 1 A 48 48 LEU HA H 43 3.847 4.006 -0.159 1
1 570 . 14 1 1 A 48 48 LEU CB C 43 40.720 41.070 -0.350 1
1 583 . 14 1 1 A 48 48 LEU C C 43 179.581 179.764 -0.183 1
1 584 . 14 1 1 A 49 49 ALA N N 44 120.479 122.032 -1.553 1
1 585 . 14 1 1 A 49 49 ALA H H 44 7.953 8.034 -0.081 1
1 586 . 14 1 1 A 49 49 ALA CA C 44 53.997 54.898 -0.901 1
1 587 . 14 1 1 A 49 49 ALA HA H 44 4.123 4.054 0.069 1
1 591 . 14 1 1 A 49 49 ALA CB C 44 17.631 18.318 -0.687 1
1 592 . 14 1 1 A 49 49 ALA C C 44 178.926 179.200 -0.274 1
1 593 . 14 1 1 A 50 50 LEU N N 45 115.306 120.226 -4.920 1
1 594 . 14 1 1 A 50 50 LEU H H 45 7.428 7.689 -0.261 1
1 595 . 14 1 1 A 50 50 LEU CA C 45 55.652 57.607 -1.955 1
1 596 . 14 1 1 A 50 50 LEU HA H 45 4.219 4.125 0.094 1
1 597 . 14 1 1 A 50 50 LEU CB C 45 41.846 41.885 -0.039 1
1 610 . 14 1 1 A 50 50 LEU C C 45 177.840 178.767 -0.927 1
1 611 . 14 1 1 A 51 51 LEU N N 46 115.880 118.670 -2.790 1
1 612 . 14 1 1 A 51 51 LEU H H 46 7.642 7.972 -0.330 1
1 613 . 14 1 1 A 51 51 LEU CA C 46 54.693 56.512 -1.819 1
1 614 . 14 1 1 A 51 51 LEU HA H 46 4.265 4.201 0.064 1
1 615 . 14 1 1 A 51 51 LEU CB C 46 42.040 41.868 0.172 1
1 625 . 14 1 1 A 51 51 LEU C C 46 176.015 177.660 -1.645 1
1 626 . 14 1 1 A 52 52 THR N N 47 109.201 113.063 -3.862 1
1 627 . 14 1 1 A 52 52 THR H H 47 7.516 7.570 -0.054 1
1 628 . 14 1 1 A 52 52 THR CA C 47 60.834 64.586 -3.752 1
1 629 . 14 1 1 A 52 52 THR HA H 47 4.348 4.309 0.039 1
1 630 . 14 1 1 A 52 52 THR CB C 47 69.704 69.378 0.326 1
1 636 . 14 1 1 A 52 52 THR C C 47 173.733 175.425 -1.692 1
1 637 . 14 1 1 A 53 53 ASP N N 48 122.188 119.312 2.876 1
1 638 . 14 1 1 A 53 53 ASP H H 48 8.280 8.297 -0.017 1
1 639 . 14 1 1 A 53 53 ASP CA C 48 54.185 56.484 -2.299 1
1 640 . 14 1 1 A 53 53 ASP HA H 48 4.699 4.501 0.198 1
1 641 . 14 1 1 A 53 53 ASP CB C 48 40.749 40.352 0.397 1
1 645 . 14 1 1 A 53 53 ASP C C 48 176.000 176.722 -0.722 1
1 646 . 14 1 1 A 54 54 GLU N N 49 121.966 118.608 3.358 1
1 647 . 14 1 1 A 54 54 GLU H H 49 8.588 7.764 0.824 1
1 648 . 14 1 1 A 54 54 GLU CA C 49 56.604 55.564 1.040 1
1 649 . 14 1 1 A 54 54 GLU HA H 49 4.229 4.689 -0.460 1
1 650 . 14 1 1 A 54 54 GLU CB C 49 29.642 30.790 -1.148 1
1 656 . 14 1 1 A 54 54 GLU C C 49 176.589 176.785 -0.196 1
1 657 . 14 1 1 A 55 55 GLN N N 50 120.727 119.669 1.058 1
1 658 . 14 1 1 A 55 55 GLN H H 50 8.642 7.911 0.731 1
1 659 . 14 1 1 A 55 55 GLN CA C 50 56.165 57.913 -1.748 1
1 660 . 14 1 1 A 55 55 GLN HA H 50 4.226 4.122 0.104 1
1 661 . 14 1 1 A 55 55 GLN CB C 50 28.555 28.126 0.429 1
1 671 . 14 1 1 A 55 55 GLN C C 50 176.554 176.787 -0.233 1
1 672 . 14 1 1 A 56 56 GLY N N 51 109.357 107.917 1.440 1
1 673 . 14 1 1 A 56 56 GLY H H 51 8.519 8.132 0.387 1
1 674 . 14 1 1 A 56 56 GLY CA C 51 45.276 45.449 -0.173 1
1 675 . 14 1 1 A 56 56 GLY HA2 H 51 3.951 4.014 -0.063 1
1 676 . 14 1 1 A 56 56 GLY HA3 H 51 3.815 4.023 -0.208 1
1 677 . 14 1 1 A 56 56 GLY C C 51 174.146 174.756 -0.610 1
1 678 . 14 1 1 A 57 57 GLN N N 52 119.207 118.343 0.864 1
1 679 . 14 1 1 A 57 57 GLN H H 52 8.263 7.601 0.662 1
1 680 . 14 1 1 A 57 57 GLN CA C 52 55.650 56.679 -1.029 1
1 681 . 14 1 1 A 57 57 GLN HA H 52 4.217 4.423 -0.206 1
1 682 . 14 1 1 A 57 57 GLN CB C 52 28.723 28.828 -0.105 1
1 692 . 14 1 1 A 57 57 GLN C C 52 175.872 177.247 -1.375 1
1 693 . 14 1 1 A 58 58 ARG N N 53 120.525 119.629 0.896 1
1 694 . 14 1 1 A 58 58 ARG H H 53 8.279 8.029 0.250 1
1 695 . 14 1 1 A 58 58 ARG CA C 53 55.854 57.435 -1.581 1
1 696 . 14 1 1 A 58 58 ARG HA H 53 4.204 4.420 -0.216 1
1 697 . 14 1 1 A 58 58 ARG CB C 53 29.944 30.302 -0.358 1
1 708 . 14 1 1 A 58 58 ARG C C 53 175.819 177.851 -2.032 1
1 709 . 14 1 1 A 59 59 HIS N N 54 118.905 120.437 -1.532 1
1 710 . 14 1 1 A 59 59 HIS H H 54 8.397 8.183 0.214 1
1 711 . 14 1 1 A 59 59 HIS CA C 54 55.130 59.613 -4.483 1
1 712 . 14 1 1 A 59 59 HIS HA H 54 4.554 4.391 0.163 1
1 713 . 14 1 1 A 59 59 HIS CB C 54 28.953 30.553 -1.600 1
1 716 . 14 1 1 A 59 59 HIS C C 54 174.248 174.934 -0.686 1
1 717 . 14 1 1 A 60 60 HIS N N 55 119.527 111.548 7.979 1
1 718 . 14 1 1 A 60 60 HIS H H 55 8.493 8.035 0.458 1
1 719 . 14 1 1 A 60 60 HIS CA C 55 55.589 53.974 1.615 1
1 720 . 14 1 1 A 60 60 HIS HA H 55 4.553 4.300 0.253 1
1 721 . 14 1 1 A 60 60 HIS CB C 55 28.913 31.505 -2.592 1
1 724 . 14 1 1 A 60 60 HIS C C 55 174.759 173.613 1.146 1
1 725 . 14 1 1 A 61 61 GLY N N 56 110.215 107.693 2.522 1
1 726 . 14 1 1 A 61 61 GLY H H 56 8.604 7.383 1.221 1
1 727 . 14 1 1 A 61 61 GLY CA C 56 44.977 45.286 -0.309 1
1 728 . 14 1 1 A 61 61 GLY HA2 H 56 3.958 3.452 0.506 1
1 729 . 14 1 1 A 61 61 GLY HA3 H 56 3.833 3.523 0.310 1
1 730 . 14 1 1 A 61 61 GLY C C 56 173.752 174.393 -0.641 1
1 731 . 14 1 1 A 62 62 TRP N N 57 120.700 117.901 2.799 1
1 732 . 14 1 1 A 62 62 TRP H H 57 8.175 7.173 1.002 1
1 733 . 14 1 1 A 62 62 TRP CA C 57 56.935 58.017 -1.082 1
1 734 . 14 1 1 A 62 62 TRP HA H 57 4.658 4.742 -0.084 1
1 735 . 14 1 1 A 62 62 TRP CB C 57 29.018 30.880 -1.862 1
1 750 . 14 1 1 A 62 62 TRP C C 57 176.442 177.303 -0.861 1
1 751 . 14 1 1 A 63 63 GLY N N 58 110.195 109.052 1.143 1
1 752 . 14 1 1 A 63 63 GLY H H 58 8.452 8.472 -0.020 1
1 753 . 14 1 1 A 63 63 GLY CA C 58 45.052 46.464 -1.412 1
1 754 . 14 1 1 A 63 63 GLY HA2 H 58 3.925 3.961 -0.036 1
1 755 . 14 1 1 A 63 63 GLY HA3 H 58 3.833 4.056 -0.223 1
1 756 . 14 1 1 A 63 63 GLY C C 58 173.738 174.380 -0.642 1
1 757 . 14 1 1 A 64 64 ARG N N 59 120.374 119.311 1.063 1
1 758 . 14 1 1 A 64 64 ARG H H 59 8.136 8.279 -0.143 1
1 759 . 14 1 1 A 64 64 ARG CA C 59 55.779 57.235 -1.456 1
1 760 . 14 1 1 A 64 64 ARG HA H 59 4.287 4.134 0.153 1
1 761 . 14 1 1 A 64 64 ARG CB C 59 30.244 29.210 1.034 1
1 772 . 14 1 1 A 64 64 ARG C C 59 176.269 175.330 0.939 1
1 773 . 14 1 1 A 65 65 LYS N N 60 121.590 118.547 3.043 1
1 774 . 14 1 1 A 65 65 LYS H H 60 8.483 8.001 0.482 1
1 775 . 14 1 1 A 65 65 LYS CA C 60 56.435 56.891 -0.456 1
1 776 . 14 1 1 A 65 65 LYS HA H 60 4.226 4.464 -0.238 1
1 777 . 14 1 1 A 65 65 LYS CB C 60 32.259 35.755 -3.496 1
1 783 . 14 1 1 A 65 65 LYS C C 60 176.075 176.751 -0.676 1
1 784 . 14 1 1 A 66 66 ASN N N 61 118.654 118.374 0.280 1
1 785 . 14 1 1 A 66 66 ASN H H 61 8.413 8.524 -0.111 1
1 786 . 14 1 1 A 66 66 ASN CA C 61 53.042 56.022 -2.980 1
1 787 . 14 1 1 A 66 66 ASN HA H 61 4.651 4.481 0.170 1
1 788 . 14 1 1 A 66 66 ASN CB C 61 38.348 38.216 0.132 1
1 795 . 14 1 1 A 66 66 ASN C C 61 174.530 175.610 -1.080 1
1 796 . 14 1 1 A 67 67 SER N N 62 115.494 111.465 4.029 1
1 797 . 14 1 1 A 67 67 SER H H 62 8.289 8.136 0.153 1
1 798 . 14 1 1 A 67 67 SER CA C 62 58.090 59.168 -1.078 1
1 799 . 14 1 1 A 67 67 SER HA H 62 4.294 4.284 0.010 1
1 800 . 14 1 1 A 67 67 SER CB C 62 63.205 60.966 2.239 1
1 803 . 14 1 1 A 67 67 SER C C 62 173.894 173.975 -0.081 1
1 804 . 14 1 1 A 68 68 LEU N N 63 123.552 116.771 6.781 1
1 805 . 14 1 1 A 68 68 LEU H H 63 8.063 8.047 0.016 1
1 806 . 14 1 1 A 68 68 LEU CA C 63 54.124 54.000 0.124 1
1 807 . 14 1 1 A 68 68 LEU HA H 63 4.495 4.665 -0.170 1
1 808 . 14 1 1 A 68 68 LEU CB C 63 42.447 42.684 -0.237 1
1 821 . 14 1 1 A 68 68 LEU C C 63 176.587 175.767 0.820 1
1 822 . 14 1 1 A 69 69 THR N N 64 112.637 110.186 2.451 1
1 823 . 14 1 1 A 69 69 THR H H 64 7.797 7.465 0.332 1
1 824 . 14 1 1 A 69 69 THR CA C 64 60.021 59.224 0.797 1
1 825 . 14 1 1 A 69 69 THR HA H 64 4.490 4.852 -0.362 1
1 826 . 14 1 1 A 69 69 THR CB C 64 70.896 72.432 -1.536 1
1 832 . 14 1 1 A 69 69 THR C C 64 174.998 175.441 -0.443 1
1 833 . 14 1 1 A 70 70 LYS N N 65 120.128 122.084 -1.956 1
1 834 . 14 1 1 A 70 70 LYS H H 65 9.059 9.201 -0.142 1
1 835 . 14 1 1 A 70 70 LYS CA C 65 59.374 59.743 -0.369 1
1 836 . 14 1 1 A 70 70 LYS HA H 65 3.941 3.940 0.001 1
1 837 . 14 1 1 A 70 70 LYS CB C 65 31.830 32.103 -0.273 1
1 843 . 14 1 1 A 70 70 LYS C C 65 177.539 178.829 -1.290 1
1 844 . 14 1 1 A 71 71 GLU N N 66 117.667 120.320 -2.653 1
1 845 . 14 1 1 A 71 71 GLU H H 66 8.699 8.612 0.087 1
1 846 . 14 1 1 A 71 71 GLU CA C 66 60.307 59.003 1.304 1
1 847 . 14 1 1 A 71 71 GLU HA H 66 3.812 4.074 -0.262 1
1 848 . 14 1 1 A 71 71 GLU CB C 66 27.903 29.707 -1.804 1
1 855 . 14 1 1 A 71 71 GLU C C 66 178.499 178.983 -0.484 1
1 856 . 14 1 1 A 72 72 ALA N N 67 123.914 122.118 1.796 1
1 857 . 14 1 1 A 72 72 ALA H H 67 7.991 7.344 0.647 1
1 858 . 14 1 1 A 72 72 ALA CA C 67 54.601 54.672 -0.071 1
1 859 . 14 1 1 A 72 72 ALA HA H 67 4.116 4.086 0.030 1
1 863 . 14 1 1 A 72 72 ALA CB C 67 18.288 19.361 -1.073 1
1 864 . 14 1 1 A 72 72 ALA C C 67 178.721 179.343 -0.622 1
1 865 . 14 1 1 A 73 73 VAL N N 68 119.435 118.185 1.250 1
1 866 . 14 1 1 A 73 73 VAL H H 68 8.045 7.961 0.084 1
1 867 . 14 1 1 A 73 73 VAL CA C 68 66.211 66.413 -0.202 1
1 868 . 14 1 1 A 73 73 VAL HA H 68 3.470 3.514 -0.044 1
1 869 . 14 1 1 A 73 73 VAL CB C 68 31.103 31.558 -0.455 1
1 879 . 14 1 1 A 73 73 VAL C C 68 177.001 178.353 -1.352 1
1 880 . 14 1 1 A 74 74 ALA N N 69 120.667 121.284 -0.617 1
1 881 . 14 1 1 A 74 74 ALA H H 69 8.407 8.434 -0.027 1
1 882 . 14 1 1 A 74 74 ALA CA C 69 54.687 54.912 -0.225 1
1 883 . 14 1 1 A 74 74 ALA HA H 69 3.981 4.121 -0.140 1
1 887 . 14 1 1 A 74 74 ALA CB C 69 18.048 18.250 -0.202 1
1 888 . 14 1 1 A 74 74 ALA C C 69 178.865 179.697 -0.832 1
1 889 . 14 1 1 A 75 75 LYS N N 70 118.628 118.356 0.272 1
1 890 . 14 1 1 A 75 75 LYS H H 70 7.930 7.862 0.068 1
1 891 . 14 1 1 A 75 75 LYS CA C 70 58.914 59.718 -0.804 1
1 892 . 14 1 1 A 75 75 LYS HA H 70 4.105 4.000 0.105 1
1 893 . 14 1 1 A 75 75 LYS CB C 70 31.806 32.308 -0.502 1
1 903 . 14 1 1 A 75 75 LYS C C 70 177.409 179.073 -1.664 1
1 904 . 14 1 1 A 76 76 ILE N N 71 120.231 119.880 0.351 1
1 905 . 14 1 1 A 76 76 ILE H H 71 7.478 7.698 -0.220 1
1 906 . 14 1 1 A 76 76 ILE CA C 71 64.835 64.663 0.172 1
1 907 . 14 1 1 A 76 76 ILE HA H 71 3.973 3.752 0.221 1
1 908 . 14 1 1 A 76 76 ILE CB C 71 37.788 37.139 0.649 1
1 921 . 14 1 1 A 76 76 ILE C C 71 179.734 178.293 1.441 1
1 922 . 14 1 1 A 77 77 VAL N N 72 122.505 119.955 2.550 1
1 923 . 14 1 1 A 77 77 VAL H H 72 8.325 7.952 0.373 1
1 924 . 14 1 1 A 77 77 VAL CA C 72 67.425 66.597 0.828 1
1 925 . 14 1 1 A 77 77 VAL HA H 72 3.581 3.415 0.166 1
1 926 . 14 1 1 A 77 77 VAL CB C 72 30.885 31.311 -0.426 1
1 936 . 14 1 1 A 77 77 VAL C C 72 176.939 177.606 -0.667 1
1 937 . 14 1 1 A 78 78 ASP N N 73 120.524 119.966 0.558 1
1 938 . 14 1 1 A 78 78 ASP H H 73 8.798 8.180 0.618 1
1 939 . 14 1 1 A 78 78 ASP CA C 73 58.163 56.769 1.394 1
1 940 . 14 1 1 A 78 78 ASP HA H 73 4.392 4.478 -0.086 1
1 941 . 14 1 1 A 78 78 ASP CB C 73 41.459 40.985 0.474 1
1 945 . 14 1 1 A 78 78 ASP C C 73 178.122 178.431 -0.309 1
1 946 . 14 1 1 A 79 79 ASP N N 74 119.762 119.543 0.219 1
1 947 . 14 1 1 A 79 79 ASP H H 74 9.318 8.133 1.185 1
1 948 . 14 1 1 A 79 79 ASP CA C 74 57.122 57.428 -0.306 1
1 949 . 14 1 1 A 79 79 ASP HA H 74 4.405 4.304 0.101 1
1 950 . 14 1 1 A 79 79 ASP CB C 74 39.850 41.031 -1.181 1
1 954 . 14 1 1 A 79 79 ASP C C 74 178.921 178.864 0.057 1
1 955 . 14 1 1 A 80 80 THR N N 75 117.347 116.161 1.186 1
1 956 . 14 1 1 A 80 80 THR H H 75 8.084 8.499 -0.415 1
1 957 . 14 1 1 A 80 80 THR CA C 75 67.055 66.308 0.747 1
1 958 . 14 1 1 A 80 80 THR HA H 75 3.846 3.903 -0.057 1
1 959 . 14 1 1 A 80 80 THR CB C 75 67.692 68.326 -0.634 1
1 965 . 14 1 1 A 80 80 THR C C 75 175.367 176.031 -0.664 1
1 966 . 14 1 1 A 81 81 TYR N N 76 123.735 120.568 3.167 1
1 967 . 14 1 1 A 81 81 TYR H H 76 8.830 8.375 0.455 1
1 968 . 14 1 1 A 81 81 TYR CA C 76 61.712 61.504 0.208 1
1 969 . 14 1 1 A 81 81 TYR HA H 76 4.269 4.309 -0.040 1
1 970 . 14 1 1 A 81 81 TYR CB C 76 38.639 39.004 -0.365 1
1 974 . 14 1 1 A 81 81 TYR C C 76 176.700 178.245 -1.545 1
1 975 . 14 1 1 A 82 82 ARG N N 77 118.508 118.502 0.006 1
1 976 . 14 1 1 A 82 82 ARG H H 77 8.755 8.568 0.187 1
1 977 . 14 1 1 A 82 82 ARG CA C 77 58.776 58.864 -0.088 1
1 978 . 14 1 1 A 82 82 ARG HA H 77 3.892 3.957 -0.065 1
1 979 . 14 1 1 A 82 82 ARG CB C 77 29.459 29.649 -0.190 1
1 995 . 14 1 1 A 82 82 ARG C C 77 178.748 178.906 -0.158 1
1 996 . 14 1 1 A 83 83 LYS N N 78 118.075 119.831 -1.756 1
1 997 . 14 1 1 A 83 83 LYS H H 78 7.696 7.786 -0.090 1
1 998 . 14 1 1 A 83 83 LYS CA C 78 58.614 58.920 -0.306 1
1 999 . 14 1 1 A 83 83 LYS HA H 78 4.031 4.135 -0.104 1
1 1000 . 14 1 1 A 83 83 LYS CB C 78 32.055 32.123 -0.068 1
1 1005 . 14 1 1 A 83 83 LYS C C 78 177.890 178.476 -0.586 1
1 1006 . 14 1 1 A 84 84 MET N N 79 118.233 119.447 -1.214 1
1 1007 . 14 1 1 A 84 84 MET H H 79 7.748 8.258 -0.510 1
1 1008 . 14 1 1 A 84 84 MET CA C 79 57.254 57.974 -0.720 1
1 1009 . 14 1 1 A 84 84 MET HA H 79 4.189 4.280 -0.091 1
1 1010 . 14 1 1 A 84 84 MET CB C 79 32.169 32.559 -0.390 1
1 1020 . 14 1 1 A 84 84 MET C C 79 177.036 178.323 -1.287 1
1 1021 . 14 1 1 A 85 85 GLN N N 80 117.242 119.326 -2.084 1
1 1022 . 14 1 1 A 85 85 GLN H H 80 7.843 8.105 -0.262 1
1 1023 . 14 1 1 A 85 85 GLN CA C 80 56.500 58.419 -1.919 1
1 1024 . 14 1 1 A 85 85 GLN HA H 80 3.993 4.085 -0.092 1
1 1025 . 14 1 1 A 85 85 GLN CB C 80 28.124 27.937 0.187 1
1 1035 . 14 1 1 A 85 85 GLN C C 80 176.756 175.546 1.210 1
1 1036 . 14 1 1 A 86 86 ILE N N 81 119.178 118.739 0.439 1
1 1037 . 14 1 1 A 86 86 ILE H H 81 7.715 7.915 -0.200 1
1 1038 . 14 1 1 A 86 86 ILE CA C 81 61.995 62.578 -0.583 1
1 1039 . 14 1 1 A 86 86 ILE HA H 81 3.948 3.968 -0.020 1
1 1040 . 14 1 1 A 86 86 ILE CB C 81 37.856 36.526 1.330 1
1 1052 . 14 1 1 A 86 86 ILE C C 81 176.728 174.316 2.412 1
1 1053 . 14 1 1 A 87 87 GLN N N 82 121.380 120.389 0.991 1
1 1054 . 14 1 1 A 87 87 GLN H H 82 8.164 7.643 0.521 1
1 1055 . 14 1 1 A 87 87 GLN CA C 82 56.075 55.036 1.039 1
1 1056 . 14 1 1 A 87 87 GLN HA H 82 4.227 4.552 -0.325 1
1 1057 . 14 1 1 A 87 87 GLN CB C 82 28.735 32.077 -3.342 1
1 1066 . 14 1 1 A 87 87 GLN C C 82 175.836 175.174 0.662 1
1 1067 . 14 1 1 A 88 88 CYS N N 83 118.668 124.301 -5.633 1
1 1068 . 14 1 1 A 88 88 CYS H H 83 8.238 9.212 -0.974 1
1 1069 . 14 1 1 A 88 88 CYS CA C 83 58.012 60.822 -2.810 1
1 1070 . 14 1 1 A 88 88 CYS HA H 83 4.475 4.418 0.057 1
1 1071 . 14 1 1 A 88 88 CYS CB C 83 27.697 27.901 -0.204 1
1 1074 . 14 1 1 A 88 88 CYS C C 83 173.428 174.315 -0.887 1
1 1075 . 14 1 1 A 89 89 ALA N N 84 127.014 122.734 4.280 1
1 1076 . 14 1 1 A 89 89 ALA H H 84 8.249 8.429 -0.180 1
1 1077 . 14 1 1 A 89 89 ALA CA C 84 50.615 52.766 -2.151 1
1 1078 . 14 1 1 A 89 89 ALA HA H 84 4.562 4.123 0.439 1
1 1082 . 14 1 1 A 89 89 ALA CB C 84 17.465 17.250 0.215 1
1 1083 . 14 1 1 A 89 89 ALA C C 84 175.125 178.182 -3.057 1
1 1085 . 14 1 1 A 90 90 PRO CA C 85 63.085 63.575 -0.490 1
1 1086 . 14 1 1 A 90 90 PRO HA H 85 4.386 4.419 -0.033 1
1 1087 . 14 1 1 A 90 90 PRO CB C 85 31.491 32.181 -0.690 1
1 1095 . 14 1 1 A 90 90 PRO C C 85 176.381 177.002 -0.621 1
1 1096 . 14 1 1 A 91 91 ASP N N 86 119.209 118.772 0.437 1
1 1097 . 14 1 1 A 91 91 ASP H H 86 8.429 8.059 0.370 1
1 1098 . 14 1 1 A 91 91 ASP CA C 86 53.752 54.834 -1.082 1
1 1099 . 14 1 1 A 91 91 ASP HA H 86 4.394 4.349 0.045 1
1 1100 . 14 1 1 A 91 91 ASP CB C 86 40.319 39.089 1.230 1
1 1103 . 14 1 1 A 91 91 ASP C C 86 176.101 176.515 -0.414 1
1 1104 . 14 1 1 A 92 92 LEU N N 87 122.571 125.742 -3.171 1
1 1105 . 14 1 1 A 92 92 LEU H H 87 8.208 8.088 0.120 1
1 1106 . 14 1 1 A 92 92 LEU CA C 87 55.327 58.589 -3.262 1
1 1107 . 14 1 1 A 92 92 LEU HA H 87 4.205 3.964 0.241 1
1 1108 . 14 1 1 A 92 92 LEU CB C 87 41.636 42.188 -0.552 1
1 1121 . 14 1 1 A 92 92 LEU C C 87 177.406 177.268 0.138 1
1 1122 . 14 1 1 A 93 93 ALA N N 88 123.131 118.058 5.073 1
1 1123 . 14 1 1 A 93 93 ALA H H 88 8.305 7.427 0.878 1
1 1124 . 14 1 1 A 93 93 ALA CA C 88 52.823 52.582 0.241 1
1 1125 . 14 1 1 A 93 93 ALA HA H 88 4.245 4.262 -0.017 1
1 1129 . 14 1 1 A 93 93 ALA CB C 88 18.496 21.134 -2.638 1
1 1130 . 14 1 1 A 93 93 ALA C C 88 178.033 177.846 0.187 1
1 1131 . 14 1 1 A 94 94 THR N N 89 112.097 109.101 2.996 1
1 1132 . 14 1 1 A 94 94 THR H H 89 7.994 8.122 -0.128 1
1 1133 . 14 1 1 A 94 94 THR CA C 89 61.892 63.169 -1.277 1
1 1134 . 14 1 1 A 94 94 THR HA H 89 4.247 3.893 0.354 1
1 1135 . 14 1 1 A 94 94 THR CB C 89 69.076 65.867 3.209 1
1 1141 . 14 1 1 A 94 94 THR C C 89 174.478 173.795 0.683 1
1 1142 . 14 1 1 A 95 95 ARG N N 90 122.704 114.002 8.702 1
1 1143 . 14 1 1 A 95 95 ARG H H 90 8.211 8.359 -0.148 1
1 1144 . 14 1 1 A 95 95 ARG CA C 90 55.803 57.231 -1.428 1
1 1145 . 14 1 1 A 95 95 ARG HA H 90 4.336 3.934 0.402 1
1 1146 . 14 1 1 A 95 95 ARG CB C 90 30.263 27.095 3.168 1
1 1157 . 14 1 1 A 95 95 ARG C C 90 175.958 176.003 -0.045 1
1 1158 . 14 1 1 A 96 96 SER N N 91 116.390 110.920 5.470 1
1 1159 . 14 1 1 A 96 96 SER H H 91 8.365 7.846 0.519 1
1 1160 . 14 1 1 A 96 96 SER CA C 91 58.011 59.943 -1.932 1
1 1161 . 14 1 1 A 96 96 SER HA H 91 4.383 4.504 -0.121 1
1 1162 . 14 1 1 A 96 96 SER CB C 91 63.261 64.034 -0.773 1
1 1165 . 14 1 1 A 96 96 SER C C 91 174.016 176.394 -2.378 1
1 1166 . 14 1 1 A 97 97 HIS N N 92 120.507 119.452 1.055 1
1 1167 . 14 1 1 A 97 97 HIS H H 92 8.541 8.017 0.524 1
1 1168 . 14 1 1 A 97 97 HIS CA C 92 55.068 58.614 -3.546 1
1 1169 . 14 1 1 A 97 97 HIS HA H 92 4.707 4.331 0.376 1
1 1170 . 14 1 1 A 97 97 HIS CB C 92 28.839 30.311 -1.472 1
1 1173 . 14 1 1 A 97 97 HIS C C 92 174.186 176.142 -1.956 1
1 1174 . 14 1 1 A 98 98 SER N N 93 116.801 109.926 6.875 1
1 1175 . 14 1 1 A 98 98 SER H H 93 8.455 7.737 0.718 1
1 1176 . 14 1 1 A 98 98 SER CA C 93 58.046 56.879 1.167 1
1 1177 . 14 1 1 A 98 98 SER HA H 93 4.450 4.585 -0.135 1
1 1178 . 14 1 1 A 98 98 SER CB C 93 63.434 62.984 0.450 1
1 1181 . 14 1 1 A 98 98 SER C C 93 174.553 173.687 0.866 1
1 1182 . 14 1 1 A 99 99 GLY N N 94 111.114 111.032 0.082 1
1 1183 . 14 1 1 A 99 99 GLY H H 94 8.597 8.495 0.102 1
1 1184 . 14 1 1 A 99 99 GLY CA C 94 44.888 45.331 -0.443 1
1 1185 . 14 1 1 A 99 99 GLY HA2 H 94 3.998 3.970 0.028 1
1 1186 . 14 1 1 A 99 99 GLY HA3 H 94 3.998 4.032 -0.034 1
1 1187 . 14 1 1 A 99 99 GLY C C 94 173.856 174.987 -1.131 1
1 1188 . 14 1 1 A 100 100 SER N N 95 115.398 116.548 -1.150 1
1 1189 . 14 1 1 A 100 100 SER H H 95 8.311 8.360 -0.049 1
1 1190 . 14 1 1 A 100 100 SER CA C 95 57.909 59.532 -1.623 1
1 1191 . 14 1 1 A 100 100 SER HA H 95 4.422 4.334 0.088 1
1 1192 . 14 1 1 A 100 100 SER CB C 95 63.377 61.127 2.250 1
1 1195 . 14 1 1 A 100 100 SER C C 95 173.695 173.786 -0.091 1
1 1196 . 14 1 1 A 101 101 ASP N N 96 121.810 119.630 2.180 1
1 1197 . 14 1 1 A 101 101 ASP H H 96 8.380 8.316 0.064 1
1 1198 . 14 1 1 A 101 101 ASP CA C 96 53.797 54.167 -0.370 1
1 1199 . 14 1 1 A 101 101 ASP HA H 96 4.546 4.883 -0.337 1
1 1200 . 14 1 1 A 101 101 ASP CB C 96 40.440 42.351 -1.911 1
1 1203 . 14 1 1 A 101 101 ASP C C 96 175.547 176.788 -1.241 1
1 1204 . 14 1 1 A 102 102 PHE N N 97 120.706 117.286 3.420 1
1 1205 . 14 1 1 A 102 102 PHE H H 97 8.249 8.141 0.108 1
1 1206 . 14 1 1 A 102 102 PHE CA C 97 57.444 57.411 0.033 1
1 1207 . 14 1 1 A 102 102 PHE HA H 97 4.546 4.593 -0.047 1
1 1208 . 14 1 1 A 102 102 PHE CB C 97 38.772 38.832 -0.060 1
1 1214 . 14 1 1 A 102 102 PHE C C 97 175.312 175.475 -0.163 1
1 1215 . 14 1 1 A 103 103 SER N N 98 116.992 117.765 -0.773 1
1 1216 . 14 1 1 A 103 103 SER H H 98 8.167 7.794 0.373 1
1 1217 . 14 1 1 A 103 103 SER CA C 98 57.983 58.940 -0.957 1
1 1218 . 14 1 1 A 103 103 SER HA H 98 4.314 4.258 0.056 1
1 1219 . 14 1 1 A 103 103 SER CB C 98 63.384 62.781 0.603 1
1 1222 . 14 1 1 A 103 103 SER C C 98 173.286 175.445 -2.159 1
1 1223 . 14 1 1 A 104 104 PHE N N 99 122.000 126.817 -4.817 1
1 1224 . 14 1 1 A 104 104 PHE H H 99 8.170 9.002 -0.832 1
1 1225 . 14 1 1 A 104 104 PHE CA C 99 57.354 58.602 -1.248 1
1 1226 . 14 1 1 A 104 104 PHE HA H 99 4.545 4.081 0.464 1
1 1227 . 14 1 1 A 104 104 PHE CB C 99 39.045 37.410 1.635 1
1 1233 . 14 1 1 A 104 104 PHE C C 99 174.621 175.489 -0.868 1
1 1234 . 14 1 1 A 105 105 ARG N N 100 124.796 117.712 7.084 1
1 1235 . 14 1 1 A 105 105 ARG H H 100 8.101 7.354 0.747 1
1 1236 . 14 1 1 A 105 105 ARG CA C 100 52.919 55.180 -2.261 1
1 1237 . 14 1 1 A 105 105 ARG HA H 100 4.542 4.261 0.281 1
1 1238 . 14 1 1 A 105 105 ARG CB C 100 29.973 29.949 0.024 1
1 1247 . 14 1 1 A 105 105 ARG C C 100 172.924 175.569 -2.645 1
1 1249 . 14 1 1 A 106 106 PRO CA C 101 62.366 62.143 0.223 1
1 1250 . 14 1 1 A 106 106 PRO HA H 101 4.349 4.435 -0.086 1
1 1251 . 14 1 1 A 106 106 PRO CB C 101 31.609 33.214 -1.605 1
1 1259 . 14 1 1 A 106 106 PRO C C 101 176.395 176.468 -0.073 1
1 1260 . 14 1 1 A 107 107 ILE N N 102 121.380 120.440 0.940 1
1 1261 . 14 1 1 A 107 107 ILE H H 102 8.350 8.553 -0.203 1
1 1262 . 14 1 1 A 107 107 ILE CA C 102 60.925 60.566 0.359 1
1 1263 . 14 1 1 A 107 107 ILE HA H 102 4.050 4.439 -0.389 1
1 1264 . 14 1 1 A 107 107 ILE CB C 102 38.165 37.721 0.444 1
1 1277 . 14 1 1 A 107 107 ILE C C 102 175.990 175.488 0.502 1
1 1278 . 14 1 1 A 108 108 GLU N N 103 124.836 119.539 5.297 1
1 1279 . 14 1 1 A 108 108 GLU H H 103 8.578 8.439 0.139 1
1 1280 . 14 1 1 A 108 108 GLU CA C 103 55.915 57.858 -1.943 1
1 1281 . 14 1 1 A 108 108 GLU HA H 103 4.279 3.925 0.354 1
1 1282 . 14 1 1 A 108 108 GLU CB C 103 29.902 28.039 1.863 1
1 1288 . 14 1 1 A 108 108 GLU C C 103 175.678 175.675 0.003 1
1 1289 . 14 1 1 A 109 109 GLU N N 104 122.847 111.471 11.376 1
1 1290 . 14 1 1 A 109 109 GLU H H 104 8.459 8.453 0.006 1
1 1291 . 14 1 1 A 109 109 GLU CA C 104 55.845 57.798 -1.953 1
1 1292 . 14 1 1 A 109 109 GLU HA H 104 4.273 3.894 0.379 1
1 1293 . 14 1 1 A 109 109 GLU CB C 104 29.990 27.766 2.224 1
1 1299 . 14 1 1 A 109 109 GLU C C 104 174.661 176.838 -2.177 1
1 3 . 15 1 1 A 2 2 SER N N -4 115.528 112.790 2.738 1
1 4 . 15 1 1 A 2 2 SER H H -4 8.751 8.371 0.380 1
1 5 . 15 1 1 A 2 2 SER CA C -4 57.819 56.756 1.063 1
1 6 . 15 1 1 A 2 2 SER HA H -4 4.461 4.741 -0.280 1
1 7 . 15 1 1 A 2 2 SER CB C -4 63.389 63.178 0.211 1
1 8 . 15 1 1 A 2 2 SER C C -4 173.924 174.225 -0.301 1
1 9 . 15 1 1 A 3 3 HIS N N -3 120.998 114.768 6.230 1
1 10 . 15 1 1 A 3 3 HIS H H -3 8.769 7.948 0.821 1
1 11 . 15 1 1 A 3 3 HIS CA C -3 55.238 56.761 -1.523 1
1 12 . 15 1 1 A 3 3 HIS HA H -3 4.703 4.069 0.634 1
1 13 . 15 1 1 A 3 3 HIS CB C -3 28.916 26.706 2.210 1
1 16 . 15 1 1 A 3 3 HIS C C -3 174.207 174.313 -0.106 1
1 17 . 15 1 1 A 4 4 MET N N -2 122.227 116.758 5.469 1
1 18 . 15 1 1 A 4 4 MET H H -2 8.518 7.543 0.975 1
1 19 . 15 1 1 A 4 4 MET CA C -2 55.003 54.603 0.400 1
1 20 . 15 1 1 A 4 4 MET HA H -2 4.420 4.788 -0.368 1
1 21 . 15 1 1 A 4 4 MET CB C -2 32.578 33.113 -0.535 1
1 31 . 15 1 1 A 4 4 MET C C -2 175.475 174.635 0.840 1
1 49 . 15 1 1 A 7 7 ALA N N 2 124.543 123.030 1.513 1
1 50 . 15 1 1 A 7 7 ALA H H 2 8.453 8.150 0.303 1
1 51 . 15 1 1 A 7 7 ALA CA C 2 53.203 54.445 -1.242 1
1 52 . 15 1 1 A 7 7 ALA HA H 2 4.211 4.089 0.122 1
1 56 . 15 1 1 A 7 7 ALA CB C 2 18.387 18.241 0.146 1
1 57 . 15 1 1 A 7 7 ALA C C 2 178.091 179.236 -1.145 1
1 58 . 15 1 1 A 8 8 ASP N N 3 118.618 118.737 -0.119 1
1 59 . 15 1 1 A 8 8 ASP H H 3 8.064 7.865 0.199 1
1 60 . 15 1 1 A 8 8 ASP CA C 3 54.381 56.785 -2.404 1
1 61 . 15 1 1 A 8 8 ASP HA H 3 4.551 4.334 0.217 1
1 62 . 15 1 1 A 8 8 ASP CB C 3 40.446 40.994 -0.548 1
1 65 . 15 1 1 A 8 8 ASP C C 3 176.662 178.186 -1.524 1
1 66 . 15 1 1 A 9 9 LEU N N 4 123.427 120.387 3.040 1
1 67 . 15 1 1 A 9 9 LEU H H 4 8.202 8.001 0.201 1
1 68 . 15 1 1 A 9 9 LEU CA C 4 57.491 57.875 -0.384 1
1 69 . 15 1 1 A 9 9 LEU HA H 4 4.084 4.015 0.069 1
1 70 . 15 1 1 A 9 9 LEU CB C 4 41.745 41.647 0.098 1
1 80 . 15 1 1 A 9 9 LEU C C 4 178.873 178.635 0.238 1
1 81 . 15 1 1 A 10 10 VAL N N 5 119.385 119.207 0.178 1
1 82 . 15 1 1 A 10 10 VAL H H 5 8.186 8.376 -0.190 1
1 83 . 15 1 1 A 10 10 VAL CA C 5 66.686 66.747 -0.061 1
1 84 . 15 1 1 A 10 10 VAL HA H 5 3.435 3.509 -0.074 1
1 85 . 15 1 1 A 10 10 VAL CB C 5 31.135 31.514 -0.379 1
1 95 . 15 1 1 A 10 10 VAL C C 5 177.408 177.714 -0.306 1
1 96 . 15 1 1 A 11 11 SER N N 6 115.027 115.703 -0.676 1
1 97 . 15 1 1 A 11 11 SER H H 6 8.252 8.035 0.217 1
1 98 . 15 1 1 A 11 11 SER CA C 6 61.229 62.095 -0.866 1
1 99 . 15 1 1 A 11 11 SER HA H 6 4.068 4.084 -0.016 1
1 100 . 15 1 1 A 11 11 SER CB C 6 62.054 62.675 -0.621 1
1 103 . 15 1 1 A 11 11 SER C C 6 176.036 176.297 -0.261 1
1 104 . 15 1 1 A 12 12 SER N N 7 115.144 115.925 -0.781 1
1 105 . 15 1 1 A 12 12 SER H H 7 8.053 7.927 0.126 1
1 106 . 15 1 1 A 12 12 SER CA C 7 60.212 61.609 -1.397 1
1 107 . 15 1 1 A 12 12 SER HA H 7 4.309 4.062 0.247 1
1 108 . 15 1 1 A 12 12 SER CB C 7 62.720 62.857 -0.137 1
1 111 . 15 1 1 A 12 12 SER C C 7 176.540 177.249 -0.709 1
1 112 . 15 1 1 A 13 13 CYS N N 8 118.211 119.109 -0.898 1
1 113 . 15 1 1 A 13 13 CYS H H 8 7.919 8.554 -0.635 1
1 114 . 15 1 1 A 13 13 CYS CA C 8 63.729 63.971 -0.242 1
1 115 . 15 1 1 A 13 13 CYS HA H 8 4.046 4.120 -0.074 1
1 116 . 15 1 1 A 13 13 CYS CB C 8 26.703 26.971 -0.268 1
1 119 . 15 1 1 A 13 13 CYS C C 8 175.645 177.049 -1.404 1
1 120 . 15 1 1 A 14 14 LYS N N 9 120.074 121.407 -1.333 1
1 121 . 15 1 1 A 14 14 LYS H H 9 8.632 8.047 0.585 1
1 122 . 15 1 1 A 14 14 LYS CA C 9 60.438 59.651 0.787 1
1 123 . 15 1 1 A 14 14 LYS HA H 9 3.668 3.954 -0.286 1
1 124 . 15 1 1 A 14 14 LYS CB C 9 31.655 32.040 -0.385 1
1 136 . 15 1 1 A 14 14 LYS C C 9 177.590 177.824 -0.234 1
1 137 . 15 1 1 A 15 15 ASP N N 10 117.611 119.464 -1.853 1
1 138 . 15 1 1 A 15 15 ASP H H 10 7.732 8.102 -0.370 1
1 139 . 15 1 1 A 15 15 ASP CA C 10 56.325 57.307 -0.982 1
1 140 . 15 1 1 A 15 15 ASP HA H 10 4.320 4.204 0.116 1
1 141 . 15 1 1 A 15 15 ASP CB C 10 40.092 41.617 -1.525 1
1 144 . 15 1 1 A 15 15 ASP C C 10 177.731 178.482 -0.751 1
1 145 . 15 1 1 A 16 16 LYS N N 11 117.878 119.010 -1.132 1
1 146 . 15 1 1 A 16 16 LYS H H 11 7.254 7.735 -0.481 1
1 147 . 15 1 1 A 16 16 LYS CA C 11 58.984 58.995 -0.011 1
1 148 . 15 1 1 A 16 16 LYS HA H 11 3.662 3.559 0.103 1
1 149 . 15 1 1 A 16 16 LYS CB C 11 32.933 31.884 1.049 1
1 158 . 15 1 1 A 16 16 LYS C C 11 177.350 178.023 -0.673 1
1 159 . 15 1 1 A 17 17 LEU N N 12 115.652 121.824 -6.172 1
1 160 . 15 1 1 A 17 17 LEU H H 12 8.138 8.415 -0.277 1
1 161 . 15 1 1 A 17 17 LEU CA C 12 56.722 57.994 -1.272 1
1 162 . 15 1 1 A 17 17 LEU HA H 12 3.588 4.176 -0.588 1
1 163 . 15 1 1 A 17 17 LEU CB C 12 41.870 41.232 0.638 1
1 174 . 15 1 1 A 17 17 LEU C C 12 177.545 178.424 -0.879 1
1 175 . 15 1 1 A 18 18 ALA N N 13 116.045 120.656 -4.611 1
1 176 . 15 1 1 A 18 18 ALA H H 13 7.080 8.563 -1.483 1
1 177 . 15 1 1 A 18 18 ALA CA C 13 53.475 54.370 -0.895 1
1 178 . 15 1 1 A 18 18 ALA HA H 13 3.984 4.085 -0.101 1
1 182 . 15 1 1 A 18 18 ALA CB C 13 18.121 18.860 -0.739 1
1 183 . 15 1 1 A 18 18 ALA C C 13 178.298 179.776 -1.478 1
1 184 . 15 1 1 A 19 19 TYR N N 14 115.556 119.154 -3.598 1
1 185 . 15 1 1 A 19 19 TYR H H 14 7.675 7.489 0.186 1
1 186 . 15 1 1 A 19 19 TYR CA C 14 58.741 59.839 -1.098 1
1 187 . 15 1 1 A 19 19 TYR HA H 14 4.323 4.156 0.167 1
1 188 . 15 1 1 A 19 19 TYR CB C 14 38.610 39.075 -0.465 1
1 193 . 15 1 1 A 19 19 TYR C C 14 176.007 175.782 0.225 1
1 194 . 15 1 1 A 20 20 PHE N N 15 118.275 119.583 -1.308 1
1 195 . 15 1 1 A 20 20 PHE H H 15 7.406 7.648 -0.242 1
1 196 . 15 1 1 A 20 20 PHE CA C 15 56.542 57.157 -0.615 1
1 197 . 15 1 1 A 20 20 PHE HA H 15 4.652 4.729 -0.077 1
1 198 . 15 1 1 A 20 20 PHE CB C 15 38.561 40.404 -1.843 1
1 202 . 15 1 1 A 20 20 PHE C C 15 176.160 175.962 0.198 1
1 203 . 15 1 1 A 21 21 ARG N N 16 119.140 123.794 -4.654 1
1 204 . 15 1 1 A 21 21 ARG H H 16 8.714 8.423 0.291 1
1 205 . 15 1 1 A 21 21 ARG CA C 16 54.474 56.219 -1.745 1
1 206 . 15 1 1 A 21 21 ARG HA H 16 4.747 4.276 0.471 1
1 207 . 15 1 1 A 21 21 ARG CB C 16 30.097 31.340 -1.243 1
1 223 . 15 1 1 A 21 21 ARG C C 16 177.095 177.927 -0.832 1
1 224 . 15 1 1 A 22 22 ILE N N 17 120.734 124.202 -3.468 1
1 225 . 15 1 1 A 22 22 ILE H H 17 8.708 8.832 -0.124 1
1 226 . 15 1 1 A 22 22 ILE CA C 17 65.114 64.743 0.371 1
1 227 . 15 1 1 A 22 22 ILE HA H 17 3.740 3.724 0.016 1
1 228 . 15 1 1 A 22 22 ILE CB C 17 36.768 37.621 -0.853 1
1 241 . 15 1 1 A 22 22 ILE C C 17 176.639 178.170 -1.531 1
1 242 . 15 1 1 A 23 23 LYS N N 18 118.184 121.447 -3.263 1
1 243 . 15 1 1 A 23 23 LYS H H 18 8.267 8.209 0.058 1
1 244 . 15 1 1 A 23 23 LYS CA C 18 59.978 60.109 -0.131 1
1 245 . 15 1 1 A 23 23 LYS HA H 18 3.909 3.892 0.017 1
1 246 . 15 1 1 A 23 23 LYS CB C 18 32.191 32.306 -0.115 1
1 258 . 15 1 1 A 23 23 LYS C C 18 178.185 178.904 -0.719 1
1 259 . 15 1 1 A 24 24 GLU N N 19 117.651 119.657 -2.006 1
1 260 . 15 1 1 A 24 24 GLU H H 19 7.198 7.977 -0.779 1
1 261 . 15 1 1 A 24 24 GLU CA C 19 60.601 59.185 1.416 1
1 262 . 15 1 1 A 24 24 GLU HA H 19 4.056 4.044 0.012 1
1 263 . 15 1 1 A 24 24 GLU CB C 19 28.859 29.660 -0.801 1
1 269 . 15 1 1 A 24 24 GLU C C 19 178.542 178.603 -0.061 1
1 270 . 15 1 1 A 25 25 LEU N N 20 119.236 119.316 -0.080 1
1 271 . 15 1 1 A 25 25 LEU H H 20 7.980 7.938 0.042 1
1 272 . 15 1 1 A 25 25 LEU CA C 20 57.812 57.589 0.223 1
1 273 . 15 1 1 A 25 25 LEU HA H 20 3.947 4.002 -0.055 1
1 274 . 15 1 1 A 25 25 LEU CB C 20 42.172 41.309 0.863 1
1 281 . 15 1 1 A 25 25 LEU C C 20 178.081 178.756 -0.675 1
1 282 . 15 1 1 A 26 26 LYS N N 21 117.457 119.409 -1.952 1
1 283 . 15 1 1 A 26 26 LYS H H 21 8.770 8.474 0.296 1
1 284 . 15 1 1 A 26 26 LYS CA C 21 60.741 59.916 0.825 1
1 285 . 15 1 1 A 26 26 LYS HA H 21 3.806 3.971 -0.165 1
1 286 . 15 1 1 A 26 26 LYS CB C 21 31.876 32.268 -0.392 1
1 287 . 15 1 1 A 26 26 LYS C C 21 177.659 178.741 -1.082 1
1 288 . 15 1 1 A 27 27 ASP N N 22 119.023 119.713 -0.690 1
1 289 . 15 1 1 A 27 27 ASP H H 22 7.671 8.176 -0.505 1
1 290 . 15 1 1 A 27 27 ASP CA C 22 56.971 57.356 -0.385 1
1 291 . 15 1 1 A 27 27 ASP HA H 22 4.409 4.478 -0.069 1
1 292 . 15 1 1 A 27 27 ASP CB C 22 40.196 40.694 -0.498 1
1 295 . 15 1 1 A 27 27 ASP C C 22 180.796 178.950 1.846 1
1 296 . 15 1 1 A 28 28 ILE N N 23 119.318 120.208 -0.890 1
1 297 . 15 1 1 A 28 28 ILE H H 23 8.039 7.740 0.299 1
1 298 . 15 1 1 A 28 28 ILE CA C 23 65.328 65.774 -0.446 1
1 299 . 15 1 1 A 28 28 ILE HA H 23 3.601 3.636 -0.035 1
1 300 . 15 1 1 A 28 28 ILE CB C 23 37.309 38.276 -0.967 1
1 313 . 15 1 1 A 28 28 ILE C C 23 177.251 178.099 -0.848 1
1 314 . 15 1 1 A 29 29 LEU N N 24 120.356 121.736 -1.380 1
1 315 . 15 1 1 A 29 29 LEU H H 24 8.220 8.471 -0.251 1
1 316 . 15 1 1 A 29 29 LEU CA C 24 58.535 58.306 0.229 1
1 317 . 15 1 1 A 29 29 LEU HA H 24 3.824 4.067 -0.243 1
1 318 . 15 1 1 A 29 29 LEU CB C 24 39.478 41.227 -1.749 1
1 326 . 15 1 1 A 29 29 LEU C C 24 178.599 178.348 0.251 1
1 327 . 15 1 1 A 30 30 ASN N N 25 117.446 117.459 -0.013 1
1 328 . 15 1 1 A 30 30 ASN H H 25 8.687 8.094 0.593 1
1 329 . 15 1 1 A 30 30 ASN CA C 25 56.241 57.044 -0.803 1
1 330 . 15 1 1 A 30 30 ASN HA H 25 4.520 4.344 0.176 1
1 331 . 15 1 1 A 30 30 ASN CB C 25 38.899 40.180 -1.281 1
1 338 . 15 1 1 A 30 30 ASN C C 25 178.958 177.486 1.472 1
1 339 . 15 1 1 A 31 31 GLN N N 26 119.946 117.415 2.531 1
1 340 . 15 1 1 A 31 31 GLN H H 26 8.184 7.688 0.496 1
1 341 . 15 1 1 A 31 31 GLN CA C 26 58.779 58.525 0.254 1
1 342 . 15 1 1 A 31 31 GLN HA H 26 4.055 4.081 -0.026 1
1 343 . 15 1 1 A 31 31 GLN CB C 26 29.109 28.568 0.541 1
1 353 . 15 1 1 A 31 31 GLN C C 26 177.586 179.179 -1.593 1
1 354 . 15 1 1 A 32 32 LEU N N 27 116.979 115.193 1.786 1
1 355 . 15 1 1 A 32 32 LEU H H 27 7.893 7.822 0.071 1
1 356 . 15 1 1 A 32 32 LEU CA C 27 54.393 54.861 -0.468 1
1 357 . 15 1 1 A 32 32 LEU HA H 27 4.240 4.290 -0.050 1
1 358 . 15 1 1 A 32 32 LEU CB C 27 42.566 42.249 0.317 1
1 369 . 15 1 1 A 32 32 LEU C C 27 175.693 177.319 -1.626 1
1 370 . 15 1 1 A 33 33 GLY N N 28 108.299 108.657 -0.358 1
1 371 . 15 1 1 A 33 33 GLY H H 28 7.834 7.554 0.280 1
1 372 . 15 1 1 A 33 33 GLY CA C 28 45.707 45.694 0.013 1
1 373 . 15 1 1 A 33 33 GLY HA2 H 28 3.952 3.991 -0.039 1
1 374 . 15 1 1 A 33 33 GLY HA3 H 28 3.952 3.992 -0.040 1
1 375 . 15 1 1 A 33 33 GLY C C 28 174.317 175.063 -0.746 1
1 376 . 15 1 1 A 34 34 LEU N N 29 120.833 120.161 0.672 1
1 377 . 15 1 1 A 34 34 LEU H H 29 7.986 7.809 0.177 1
1 378 . 15 1 1 A 34 34 LEU CA C 29 51.600 54.044 -2.444 1
1 379 . 15 1 1 A 34 34 LEU HA H 29 4.760 4.349 0.411 1
1 380 . 15 1 1 A 34 34 LEU CB C 29 43.531 42.364 1.167 1
1 392 . 15 1 1 A 35 35 PRO CA C 30 62.741 62.242 0.499 1
1 393 . 15 1 1 A 35 35 PRO HA H 30 4.365 4.580 -0.215 1
1 394 . 15 1 1 A 35 35 PRO CB C 30 31.856 33.221 -1.365 1
1 402 . 15 1 1 A 35 35 PRO C C 30 177.334 176.467 0.867 1
1 403 . 15 1 1 A 36 36 LYS N N 31 117.589 119.280 -1.691 1
1 404 . 15 1 1 A 36 36 LYS H H 31 8.380 9.092 -0.712 1
1 405 . 15 1 1 A 36 36 LYS CA C 31 55.569 57.715 -2.146 1
1 406 . 15 1 1 A 36 36 LYS HA H 31 4.288 4.108 0.180 1
1 407 . 15 1 1 A 36 36 LYS CB C 31 33.225 32.947 0.278 1
1 417 . 15 1 1 A 36 36 LYS C C 31 174.406 176.361 -1.955 1
1 418 . 15 1 1 A 37 37 GLN N N 32 118.260 114.332 3.928 1
1 419 . 15 1 1 A 37 37 GLN H H 32 7.698 7.653 0.045 1
1 420 . 15 1 1 A 37 37 GLN CA C 32 55.716 54.766 0.950 1
1 421 . 15 1 1 A 37 37 GLN HA H 32 4.392 4.627 -0.235 1
1 422 . 15 1 1 A 37 37 GLN CB C 32 28.251 31.232 -2.981 1
1 432 . 15 1 1 A 37 37 GLN C C 32 175.122 174.046 1.076 1
1 433 . 15 1 1 A 38 38 GLY N N 33 109.855 106.255 3.600 1
1 434 . 15 1 1 A 38 38 GLY H H 33 8.449 8.461 -0.012 1
1 435 . 15 1 1 A 38 38 GLY CA C 33 43.315 45.528 -2.213 1
1 436 . 15 1 1 A 38 38 GLY HA2 H 33 4.600 4.158 0.442 1
1 437 . 15 1 1 A 38 38 GLY HA3 H 33 3.803 4.159 -0.356 1
1 438 . 15 1 1 A 38 38 GLY C C 33 173.537 172.886 0.651 1
1 439 . 15 1 1 A 39 39 LYS N N 34 117.627 124.640 -7.013 1
1 440 . 15 1 1 A 39 39 LYS H H 34 8.649 8.499 0.150 1
1 441 . 15 1 1 A 39 39 LYS CA C 34 54.916 55.822 -0.906 1
1 442 . 15 1 1 A 39 39 LYS HA H 34 4.395 4.409 -0.014 1
1 443 . 15 1 1 A 39 39 LYS CB C 34 32.893 33.445 -0.552 1
1 455 . 15 1 1 A 39 39 LYS C C 34 176.803 178.141 -1.338 1
1 456 . 15 1 1 A 40 40 LYS N N 35 121.705 122.434 -0.729 1
1 457 . 15 1 1 A 40 40 LYS H H 35 8.920 8.800 0.120 1
1 458 . 15 1 1 A 40 40 LYS CA C 35 61.574 60.634 0.940 1
1 459 . 15 1 1 A 40 40 LYS HA H 35 3.599 3.913 -0.314 1
1 460 . 15 1 1 A 40 40 LYS CB C 35 31.924 32.211 -0.287 1
1 472 . 15 1 1 A 40 40 LYS C C 35 177.366 178.152 -0.786 1
1 473 . 15 1 1 A 41 41 GLN N N 36 114.634 118.730 -4.096 1
1 474 . 15 1 1 A 41 41 GLN H H 36 9.017 7.927 1.090 1
1 475 . 15 1 1 A 41 41 GLN CA C 36 57.636 58.780 -1.144 1
1 476 . 15 1 1 A 41 41 GLN HA H 36 3.731 4.009 -0.278 1
1 477 . 15 1 1 A 41 41 GLN CB C 36 27.865 28.315 -0.450 1
1 487 . 15 1 1 A 41 41 GLN C C 36 176.872 178.396 -1.524 1
1 488 . 15 1 1 A 42 42 ASP N N 37 115.980 119.947 -3.967 1
1 489 . 15 1 1 A 42 42 ASP H H 37 7.047 8.209 -1.162 1
1 490 . 15 1 1 A 42 42 ASP CA C 37 56.593 57.380 -0.787 1
1 491 . 15 1 1 A 42 42 ASP HA H 37 4.297 4.365 -0.068 1
1 492 . 15 1 1 A 42 42 ASP CB C 37 39.839 40.745 -0.906 1
1 495 . 15 1 1 A 42 42 ASP C C 37 178.454 178.969 -0.515 1
1 496 . 15 1 1 A 43 43 LEU N N 38 119.074 120.657 -1.583 1
1 497 . 15 1 1 A 43 43 LEU H H 38 7.725 8.507 -0.782 1
1 498 . 15 1 1 A 43 43 LEU CA C 38 57.713 57.994 -0.281 1
1 499 . 15 1 1 A 43 43 LEU HA H 38 3.787 3.975 -0.188 1
1 500 . 15 1 1 A 43 43 LEU CB C 38 40.214 42.146 -1.932 1
1 513 . 15 1 1 A 43 43 LEU C C 38 177.872 179.113 -1.241 1
1 514 . 15 1 1 A 44 44 ILE N N 39 118.343 118.833 -0.490 1
1 515 . 15 1 1 A 44 44 ILE H H 39 7.867 8.064 -0.197 1
1 516 . 15 1 1 A 44 44 ILE CA C 39 66.090 65.748 0.342 1
1 517 . 15 1 1 A 44 44 ILE HA H 39 3.321 3.495 -0.174 1
1 518 . 15 1 1 A 44 44 ILE CB C 39 38.013 37.866 0.147 1
1 528 . 15 1 1 A 44 44 ILE C C 39 177.711 177.653 0.058 1
1 529 . 15 1 1 A 45 45 ASP N N 40 118.533 120.528 -1.995 1
1 530 . 15 1 1 A 45 45 ASP H H 40 8.503 8.597 -0.094 1
1 531 . 15 1 1 A 45 45 ASP CA C 40 57.009 57.523 -0.514 1
1 532 . 15 1 1 A 45 45 ASP HA H 40 4.272 4.475 -0.203 1
1 533 . 15 1 1 A 45 45 ASP CB C 40 39.419 40.559 -1.140 1
1 536 . 15 1 1 A 45 45 ASP C C 40 178.392 179.098 -0.706 1
1 537 . 15 1 1 A 46 46 ARG N N 41 120.911 120.286 0.625 1
1 538 . 15 1 1 A 46 46 ARG H H 41 7.717 7.825 -0.108 1
1 539 . 15 1 1 A 46 46 ARG CA C 41 59.048 59.615 -0.567 1
1 540 . 15 1 1 A 46 46 ARG HA H 41 3.991 4.072 -0.081 1
1 541 . 15 1 1 A 46 46 ARG CB C 41 29.817 30.427 -0.610 1
1 550 . 15 1 1 A 46 46 ARG C C 41 177.537 178.436 -0.899 1
1 551 . 15 1 1 A 47 47 VAL N N 42 117.438 119.799 -2.361 1
1 552 . 15 1 1 A 47 47 VAL H H 42 7.445 8.247 -0.802 1
1 553 . 15 1 1 A 47 47 VAL CA C 42 65.881 66.363 -0.482 1
1 554 . 15 1 1 A 47 47 VAL HA H 42 3.442 3.680 -0.238 1
1 555 . 15 1 1 A 47 47 VAL CB C 42 30.931 31.837 -0.906 1
1 565 . 15 1 1 A 47 47 VAL C C 42 177.671 178.583 -0.912 1
1 566 . 15 1 1 A 48 48 LEU N N 43 117.085 117.771 -0.686 1
1 567 . 15 1 1 A 48 48 LEU H H 43 8.466 7.975 0.491 1
1 568 . 15 1 1 A 48 48 LEU CA C 43 57.248 57.854 -0.606 1
1 569 . 15 1 1 A 48 48 LEU HA H 43 3.847 3.950 -0.103 1
1 570 . 15 1 1 A 48 48 LEU CB C 43 40.720 41.198 -0.478 1
1 583 . 15 1 1 A 48 48 LEU C C 43 179.581 179.571 0.010 1
1 584 . 15 1 1 A 49 49 ALA N N 44 120.479 121.914 -1.435 1
1 585 . 15 1 1 A 49 49 ALA H H 44 7.953 8.162 -0.209 1
1 586 . 15 1 1 A 49 49 ALA CA C 44 53.997 54.709 -0.712 1
1 587 . 15 1 1 A 49 49 ALA HA H 44 4.123 4.125 -0.002 1
1 591 . 15 1 1 A 49 49 ALA CB C 44 17.631 18.201 -0.570 1
1 592 . 15 1 1 A 49 49 ALA C C 44 178.926 180.259 -1.333 1
1 593 . 15 1 1 A 50 50 LEU N N 45 115.306 119.471 -4.165 1
1 594 . 15 1 1 A 50 50 LEU H H 45 7.428 7.985 -0.557 1
1 595 . 15 1 1 A 50 50 LEU CA C 45 55.652 57.730 -2.078 1
1 596 . 15 1 1 A 50 50 LEU HA H 45 4.219 4.044 0.175 1
1 597 . 15 1 1 A 50 50 LEU CB C 45 41.846 41.984 -0.138 1
1 610 . 15 1 1 A 50 50 LEU C C 45 177.840 179.333 -1.493 1
1 611 . 15 1 1 A 51 51 LEU N N 46 115.880 117.126 -1.246 1
1 612 . 15 1 1 A 51 51 LEU H H 46 7.642 8.071 -0.429 1
1 613 . 15 1 1 A 51 51 LEU CA C 46 54.693 56.578 -1.885 1
1 614 . 15 1 1 A 51 51 LEU HA H 46 4.265 4.147 0.118 1
1 615 . 15 1 1 A 51 51 LEU CB C 46 42.040 41.782 0.258 1
1 625 . 15 1 1 A 51 51 LEU C C 46 176.015 177.652 -1.637 1
1 626 . 15 1 1 A 52 52 THR N N 47 109.201 112.767 -3.566 1
1 627 . 15 1 1 A 52 52 THR H H 47 7.516 7.525 -0.009 1
1 628 . 15 1 1 A 52 52 THR CA C 47 60.834 64.535 -3.701 1
1 629 . 15 1 1 A 52 52 THR HA H 47 4.348 4.301 0.047 1
1 630 . 15 1 1 A 52 52 THR CB C 47 69.704 69.277 0.427 1
1 636 . 15 1 1 A 52 52 THR C C 47 173.733 175.307 -1.574 1
1 637 . 15 1 1 A 53 53 ASP N N 48 122.188 119.458 2.730 1
1 638 . 15 1 1 A 53 53 ASP H H 48 8.280 8.310 -0.030 1
1 639 . 15 1 1 A 53 53 ASP CA C 48 54.185 56.360 -2.175 1
1 640 . 15 1 1 A 53 53 ASP HA H 48 4.699 4.501 0.198 1
1 641 . 15 1 1 A 53 53 ASP CB C 48 40.749 40.408 0.341 1
1 645 . 15 1 1 A 53 53 ASP C C 48 176.000 176.689 -0.689 1
1 646 . 15 1 1 A 54 54 GLU N N 49 121.966 118.492 3.474 1
1 647 . 15 1 1 A 54 54 GLU H H 49 8.588 7.779 0.809 1
1 648 . 15 1 1 A 54 54 GLU CA C 49 56.604 55.560 1.044 1
1 649 . 15 1 1 A 54 54 GLU HA H 49 4.229 4.664 -0.435 1
1 650 . 15 1 1 A 54 54 GLU CB C 49 29.642 30.890 -1.248 1
1 656 . 15 1 1 A 54 54 GLU C C 49 176.589 176.767 -0.178 1
1 657 . 15 1 1 A 55 55 GLN N N 50 120.727 119.488 1.239 1
1 658 . 15 1 1 A 55 55 GLN H H 50 8.642 7.910 0.732 1
1 659 . 15 1 1 A 55 55 GLN CA C 50 56.165 56.797 -0.632 1
1 660 . 15 1 1 A 55 55 GLN HA H 50 4.226 4.085 0.141 1
1 661 . 15 1 1 A 55 55 GLN CB C 50 28.555 28.293 0.262 1
1 671 . 15 1 1 A 55 55 GLN C C 50 176.554 176.287 0.267 1
1 672 . 15 1 1 A 56 56 GLY N N 51 109.357 107.656 1.701 1
1 673 . 15 1 1 A 56 56 GLY H H 51 8.519 7.463 1.056 1
1 674 . 15 1 1 A 56 56 GLY CA C 51 45.276 45.342 -0.066 1
1 675 . 15 1 1 A 56 56 GLY HA2 H 51 3.951 4.112 -0.161 1
1 676 . 15 1 1 A 56 56 GLY HA3 H 51 3.815 4.140 -0.325 1
1 677 . 15 1 1 A 56 56 GLY C C 51 174.146 174.101 0.045 1
1 678 . 15 1 1 A 57 57 GLN N N 52 119.207 120.039 -0.832 1
1 679 . 15 1 1 A 57 57 GLN H H 52 8.263 7.804 0.459 1
1 680 . 15 1 1 A 57 57 GLN CA C 52 55.650 54.846 0.804 1
1 681 . 15 1 1 A 57 57 GLN HA H 52 4.217 4.585 -0.368 1
1 682 . 15 1 1 A 57 57 GLN CB C 52 28.723 28.464 0.259 1
1 692 . 15 1 1 A 57 57 GLN C C 52 175.872 175.653 0.219 1
1 693 . 15 1 1 A 58 58 ARG N N 53 120.525 121.710 -1.185 1
1 694 . 15 1 1 A 58 58 ARG H H 53 8.279 8.074 0.205 1
1 695 . 15 1 1 A 58 58 ARG CA C 53 55.854 55.026 0.828 1
1 696 . 15 1 1 A 58 58 ARG HA H 53 4.204 4.565 -0.361 1
1 697 . 15 1 1 A 58 58 ARG CB C 53 29.944 31.624 -1.680 1
1 708 . 15 1 1 A 58 58 ARG C C 53 175.819 175.893 -0.074 1
1 709 . 15 1 1 A 59 59 HIS N N 54 118.905 117.119 1.786 1
1 710 . 15 1 1 A 59 59 HIS H H 54 8.397 8.152 0.245 1
1 711 . 15 1 1 A 59 59 HIS CA C 54 55.130 56.792 -1.662 1
1 712 . 15 1 1 A 59 59 HIS HA H 54 4.554 3.636 0.918 1
1 713 . 15 1 1 A 59 59 HIS CB C 54 28.953 28.221 0.732 1
1 716 . 15 1 1 A 59 59 HIS C C 54 174.248 173.806 0.442 1
1 717 . 15 1 1 A 60 60 HIS N N 55 119.527 114.932 4.595 1
1 718 . 15 1 1 A 60 60 HIS H H 55 8.493 8.376 0.117 1
1 719 . 15 1 1 A 60 60 HIS CA C 55 55.589 57.383 -1.794 1
1 720 . 15 1 1 A 60 60 HIS HA H 55 4.553 4.055 0.498 1
1 721 . 15 1 1 A 60 60 HIS CB C 55 28.913 28.017 0.896 1
1 724 . 15 1 1 A 60 60 HIS C C 55 174.759 175.158 -0.399 1
1 725 . 15 1 1 A 61 61 GLY N N 56 110.215 109.028 1.187 1
1 726 . 15 1 1 A 61 61 GLY H H 56 8.604 7.643 0.961 1
1 727 . 15 1 1 A 61 61 GLY CA C 56 44.977 45.316 -0.339 1
1 728 . 15 1 1 A 61 61 GLY HA2 H 56 3.958 3.700 0.258 1
1 729 . 15 1 1 A 61 61 GLY HA3 H 56 3.833 3.786 0.047 1
1 730 . 15 1 1 A 61 61 GLY C C 56 173.752 174.935 -1.183 1
1 731 . 15 1 1 A 62 62 TRP N N 57 120.700 117.268 3.432 1
1 732 . 15 1 1 A 62 62 TRP H H 57 8.175 7.113 1.062 1
1 733 . 15 1 1 A 62 62 TRP CA C 57 56.935 57.134 -0.199 1
1 734 . 15 1 1 A 62 62 TRP HA H 57 4.658 4.908 -0.250 1
1 735 . 15 1 1 A 62 62 TRP CB C 57 29.018 30.274 -1.256 1
1 750 . 15 1 1 A 62 62 TRP C C 57 176.442 177.391 -0.949 1
1 751 . 15 1 1 A 63 63 GLY N N 58 110.195 109.736 0.459 1
1 752 . 15 1 1 A 63 63 GLY H H 58 8.452 8.342 0.110 1
1 753 . 15 1 1 A 63 63 GLY CA C 58 45.052 46.971 -1.919 1
1 754 . 15 1 1 A 63 63 GLY HA2 H 58 3.925 3.948 -0.023 1
1 755 . 15 1 1 A 63 63 GLY HA3 H 58 3.833 4.034 -0.201 1
1 756 . 15 1 1 A 63 63 GLY C C 58 173.738 174.632 -0.894 1
1 757 . 15 1 1 A 64 64 ARG N N 59 120.374 120.380 -0.006 1
1 758 . 15 1 1 A 64 64 ARG H H 59 8.136 7.698 0.438 1
1 759 . 15 1 1 A 64 64 ARG CA C 59 55.779 54.835 0.944 1
1 760 . 15 1 1 A 64 64 ARG HA H 59 4.287 4.392 -0.105 1
1 761 . 15 1 1 A 64 64 ARG CB C 59 30.244 28.710 1.534 1
1 772 . 15 1 1 A 64 64 ARG C C 59 176.269 175.648 0.621 1
1 773 . 15 1 1 A 65 65 LYS N N 60 121.590 122.459 -0.869 1
1 774 . 15 1 1 A 65 65 LYS H H 60 8.483 8.271 0.212 1
1 775 . 15 1 1 A 65 65 LYS CA C 60 56.435 57.626 -1.191 1
1 776 . 15 1 1 A 65 65 LYS HA H 60 4.226 4.033 0.193 1
1 777 . 15 1 1 A 65 65 LYS CB C 60 32.259 31.836 0.423 1
1 783 . 15 1 1 A 65 65 LYS C C 60 176.075 175.813 0.262 1
1 784 . 15 1 1 A 66 66 ASN N N 61 118.654 116.689 1.965 1
1 785 . 15 1 1 A 66 66 ASN H H 61 8.413 8.932 -0.519 1
1 786 . 15 1 1 A 66 66 ASN CA C 61 53.042 54.009 -0.967 1
1 787 . 15 1 1 A 66 66 ASN HA H 61 4.651 4.590 0.061 1
1 788 . 15 1 1 A 66 66 ASN CB C 61 38.348 36.378 1.970 1
1 795 . 15 1 1 A 66 66 ASN C C 61 174.530 174.975 -0.445 1
1 796 . 15 1 1 A 67 67 SER N N 62 115.494 114.705 0.789 1
1 797 . 15 1 1 A 67 67 SER H H 62 8.289 7.755 0.534 1
1 798 . 15 1 1 A 67 67 SER CA C 62 58.090 58.473 -0.383 1
1 799 . 15 1 1 A 67 67 SER HA H 62 4.294 4.559 -0.265 1
1 800 . 15 1 1 A 67 67 SER CB C 62 63.205 61.786 1.419 1
1 803 . 15 1 1 A 67 67 SER C C 62 173.894 174.506 -0.612 1
1 804 . 15 1 1 A 68 68 LEU N N 63 123.552 119.111 4.441 1
1 805 . 15 1 1 A 68 68 LEU H H 63 8.063 7.992 0.071 1
1 806 . 15 1 1 A 68 68 LEU CA C 63 54.124 54.110 0.014 1
1 807 . 15 1 1 A 68 68 LEU HA H 63 4.495 4.559 -0.064 1
1 808 . 15 1 1 A 68 68 LEU CB C 63 42.447 42.900 -0.453 1
1 821 . 15 1 1 A 68 68 LEU C C 63 176.587 175.710 0.877 1
1 822 . 15 1 1 A 69 69 THR N N 64 112.637 111.821 0.816 1
1 823 . 15 1 1 A 69 69 THR H H 64 7.797 6.997 0.800 1
1 824 . 15 1 1 A 69 69 THR CA C 64 60.021 59.141 0.880 1
1 825 . 15 1 1 A 69 69 THR HA H 64 4.490 4.935 -0.445 1
1 826 . 15 1 1 A 69 69 THR CB C 64 70.896 71.545 -0.649 1
1 832 . 15 1 1 A 69 69 THR C C 64 174.998 175.027 -0.029 1
1 833 . 15 1 1 A 70 70 LYS N N 65 120.128 121.669 -1.541 1
1 834 . 15 1 1 A 70 70 LYS H H 65 9.059 8.807 0.252 1
1 835 . 15 1 1 A 70 70 LYS CA C 65 59.374 59.001 0.373 1
1 836 . 15 1 1 A 70 70 LYS HA H 65 3.941 3.979 -0.038 1
1 837 . 15 1 1 A 70 70 LYS CB C 65 31.830 31.879 -0.049 1
1 843 . 15 1 1 A 70 70 LYS C C 65 177.539 178.390 -0.851 1
1 844 . 15 1 1 A 71 71 GLU N N 66 117.667 119.444 -1.777 1
1 845 . 15 1 1 A 71 71 GLU H H 66 8.699 8.534 0.165 1
1 846 . 15 1 1 A 71 71 GLU CA C 66 60.307 59.038 1.269 1
1 847 . 15 1 1 A 71 71 GLU HA H 66 3.812 4.036 -0.224 1
1 848 . 15 1 1 A 71 71 GLU CB C 66 27.903 29.688 -1.785 1
1 855 . 15 1 1 A 71 71 GLU C C 66 178.499 178.964 -0.465 1
1 856 . 15 1 1 A 72 72 ALA N N 67 123.914 122.069 1.845 1
1 857 . 15 1 1 A 72 72 ALA H H 67 7.991 7.185 0.806 1
1 858 . 15 1 1 A 72 72 ALA CA C 67 54.601 54.974 -0.373 1
1 859 . 15 1 1 A 72 72 ALA HA H 67 4.116 4.081 0.035 1
1 863 . 15 1 1 A 72 72 ALA CB C 67 18.288 18.534 -0.246 1
1 864 . 15 1 1 A 72 72 ALA C C 67 178.721 179.519 -0.798 1
1 865 . 15 1 1 A 73 73 VAL N N 68 119.435 117.858 1.577 1
1 866 . 15 1 1 A 73 73 VAL H H 68 8.045 8.068 -0.023 1
1 867 . 15 1 1 A 73 73 VAL CA C 68 66.211 66.626 -0.415 1
1 868 . 15 1 1 A 73 73 VAL HA H 68 3.470 3.559 -0.089 1
1 869 . 15 1 1 A 73 73 VAL CB C 68 31.103 31.606 -0.503 1
1 879 . 15 1 1 A 73 73 VAL C C 68 177.001 178.510 -1.509 1
1 880 . 15 1 1 A 74 74 ALA N N 69 120.667 121.515 -0.848 1
1 881 . 15 1 1 A 74 74 ALA H H 69 8.407 8.308 0.099 1
1 882 . 15 1 1 A 74 74 ALA CA C 69 54.687 55.110 -0.423 1
1 883 . 15 1 1 A 74 74 ALA HA H 69 3.981 4.086 -0.105 1
1 887 . 15 1 1 A 74 74 ALA CB C 69 18.048 17.976 0.072 1
1 888 . 15 1 1 A 74 74 ALA C C 69 178.865 179.591 -0.726 1
1 889 . 15 1 1 A 75 75 LYS N N 70 118.628 118.076 0.552 1
1 890 . 15 1 1 A 75 75 LYS H H 70 7.930 7.956 -0.026 1
1 891 . 15 1 1 A 75 75 LYS CA C 70 58.914 60.061 -1.147 1
1 892 . 15 1 1 A 75 75 LYS HA H 70 4.105 3.949 0.156 1
1 893 . 15 1 1 A 75 75 LYS CB C 70 31.806 32.196 -0.390 1
1 903 . 15 1 1 A 75 75 LYS C C 70 177.409 178.747 -1.338 1
1 904 . 15 1 1 A 76 76 ILE N N 71 120.231 119.811 0.420 1
1 905 . 15 1 1 A 76 76 ILE H H 71 7.478 7.817 -0.339 1
1 906 . 15 1 1 A 76 76 ILE CA C 71 64.835 65.062 -0.227 1
1 907 . 15 1 1 A 76 76 ILE HA H 71 3.973 3.650 0.323 1
1 908 . 15 1 1 A 76 76 ILE CB C 71 37.788 37.951 -0.163 1
1 921 . 15 1 1 A 76 76 ILE C C 71 179.734 177.746 1.988 1
1 922 . 15 1 1 A 77 77 VAL N N 72 122.505 119.532 2.973 1
1 923 . 15 1 1 A 77 77 VAL H H 72 8.325 7.909 0.416 1
1 924 . 15 1 1 A 77 77 VAL CA C 72 67.425 66.591 0.834 1
1 925 . 15 1 1 A 77 77 VAL HA H 72 3.581 3.618 -0.037 1
1 926 . 15 1 1 A 77 77 VAL CB C 72 30.885 31.576 -0.691 1
1 936 . 15 1 1 A 77 77 VAL C C 72 176.939 177.463 -0.524 1
1 937 . 15 1 1 A 78 78 ASP N N 73 120.524 120.399 0.125 1
1 938 . 15 1 1 A 78 78 ASP H H 73 8.798 8.046 0.752 1
1 939 . 15 1 1 A 78 78 ASP CA C 73 58.163 57.082 1.081 1
1 940 . 15 1 1 A 78 78 ASP HA H 73 4.392 4.523 -0.131 1
1 941 . 15 1 1 A 78 78 ASP CB C 73 41.459 40.834 0.625 1
1 945 . 15 1 1 A 78 78 ASP C C 73 178.122 178.633 -0.511 1
1 946 . 15 1 1 A 79 79 ASP N N 74 119.762 119.533 0.229 1
1 947 . 15 1 1 A 79 79 ASP H H 74 9.318 8.126 1.192 1
1 948 . 15 1 1 A 79 79 ASP CA C 74 57.122 57.337 -0.215 1
1 949 . 15 1 1 A 79 79 ASP HA H 74 4.405 4.318 0.087 1
1 950 . 15 1 1 A 79 79 ASP CB C 74 39.850 40.570 -0.720 1
1 954 . 15 1 1 A 79 79 ASP C C 74 178.921 178.919 0.002 1
1 955 . 15 1 1 A 80 80 THR N N 75 117.347 116.322 1.025 1
1 956 . 15 1 1 A 80 80 THR H H 75 8.084 7.933 0.151 1
1 957 . 15 1 1 A 80 80 THR CA C 75 67.055 66.284 0.771 1
1 958 . 15 1 1 A 80 80 THR HA H 75 3.846 3.675 0.171 1
1 959 . 15 1 1 A 80 80 THR CB C 75 67.692 67.802 -0.110 1
1 965 . 15 1 1 A 80 80 THR C C 75 175.367 175.453 -0.086 1
1 966 . 15 1 1 A 81 81 TYR N N 76 123.735 121.581 2.154 1
1 967 . 15 1 1 A 81 81 TYR H H 76 8.830 8.224 0.606 1
1 968 . 15 1 1 A 81 81 TYR CA C 76 61.712 61.023 0.689 1
1 969 . 15 1 1 A 81 81 TYR HA H 76 4.269 4.432 -0.163 1
1 970 . 15 1 1 A 81 81 TYR CB C 76 38.639 38.824 -0.185 1
1 974 . 15 1 1 A 81 81 TYR C C 76 176.700 177.900 -1.200 1
1 975 . 15 1 1 A 82 82 ARG N N 77 118.508 118.729 -0.221 1
1 976 . 15 1 1 A 82 82 ARG H H 77 8.755 8.329 0.426 1
1 977 . 15 1 1 A 82 82 ARG CA C 77 58.776 59.361 -0.585 1
1 978 . 15 1 1 A 82 82 ARG HA H 77 3.892 4.076 -0.184 1
1 979 . 15 1 1 A 82 82 ARG CB C 77 29.459 30.437 -0.978 1
1 995 . 15 1 1 A 82 82 ARG C C 77 178.748 178.228 0.520 1
1 996 . 15 1 1 A 83 83 LYS N N 78 118.075 119.875 -1.800 1
1 997 . 15 1 1 A 83 83 LYS H H 78 7.696 8.002 -0.306 1
1 998 . 15 1 1 A 83 83 LYS CA C 78 58.614 59.338 -0.724 1
1 999 . 15 1 1 A 83 83 LYS HA H 78 4.031 4.076 -0.045 1
1 1000 . 15 1 1 A 83 83 LYS CB C 78 32.055 32.085 -0.030 1
1 1005 . 15 1 1 A 83 83 LYS C C 78 177.890 178.601 -0.711 1
1 1006 . 15 1 1 A 84 84 MET N N 79 118.233 118.795 -0.562 1
1 1007 . 15 1 1 A 84 84 MET H H 79 7.748 7.978 -0.230 1
1 1008 . 15 1 1 A 84 84 MET CA C 79 57.254 57.978 -0.724 1
1 1009 . 15 1 1 A 84 84 MET HA H 79 4.189 4.320 -0.131 1
1 1010 . 15 1 1 A 84 84 MET CB C 79 32.169 33.181 -1.012 1
1 1020 . 15 1 1 A 84 84 MET C C 79 177.036 176.319 0.717 1
1 1021 . 15 1 1 A 85 85 GLN N N 80 117.242 117.583 -0.341 1
1 1022 . 15 1 1 A 85 85 GLN H H 80 7.843 8.024 -0.181 1
1 1023 . 15 1 1 A 85 85 GLN CA C 80 56.500 54.288 2.212 1
1 1024 . 15 1 1 A 85 85 GLN HA H 80 3.993 4.484 -0.491 1
1 1025 . 15 1 1 A 85 85 GLN CB C 80 28.124 28.505 -0.381 1
1 1035 . 15 1 1 A 85 85 GLN C C 80 176.756 175.515 1.241 1
1 1036 . 15 1 1 A 86 86 ILE N N 81 119.178 125.251 -6.073 1
1 1037 . 15 1 1 A 86 86 ILE H H 81 7.715 8.270 -0.555 1
1 1038 . 15 1 1 A 86 86 ILE CA C 81 61.995 65.084 -3.089 1
1 1039 . 15 1 1 A 86 86 ILE HA H 81 3.948 3.902 0.046 1
1 1040 . 15 1 1 A 86 86 ILE CB C 81 37.856 37.793 0.063 1
1 1052 . 15 1 1 A 86 86 ILE C C 81 176.728 176.107 0.621 1
1 1053 . 15 1 1 A 87 87 GLN N N 82 121.380 121.496 -0.116 1
1 1054 . 15 1 1 A 87 87 GLN H H 82 8.164 8.080 0.084 1
1 1055 . 15 1 1 A 87 87 GLN CA C 82 56.075 58.210 -2.135 1
1 1056 . 15 1 1 A 87 87 GLN HA H 82 4.227 4.135 0.092 1
1 1057 . 15 1 1 A 87 87 GLN CB C 82 28.735 28.437 0.298 1
1 1066 . 15 1 1 A 87 87 GLN C C 82 175.836 174.813 1.023 1
1 1067 . 15 1 1 A 88 88 CYS N N 83 118.668 120.741 -2.073 1
1 1068 . 15 1 1 A 88 88 CYS H H 83 8.238 7.938 0.300 1
1 1069 . 15 1 1 A 88 88 CYS CA C 83 58.012 58.249 -0.237 1
1 1070 . 15 1 1 A 88 88 CYS HA H 83 4.475 4.700 -0.225 1
1 1071 . 15 1 1 A 88 88 CYS CB C 83 27.697 28.209 -0.512 1
1 1074 . 15 1 1 A 88 88 CYS C C 83 173.428 174.185 -0.757 1
1 1075 . 15 1 1 A 89 89 ALA N N 84 127.014 120.578 6.436 1
1 1076 . 15 1 1 A 89 89 ALA H H 84 8.249 7.709 0.540 1
1 1077 . 15 1 1 A 89 89 ALA CA C 84 50.615 52.756 -2.141 1
1 1078 . 15 1 1 A 89 89 ALA HA H 84 4.562 4.055 0.507 1
1 1082 . 15 1 1 A 89 89 ALA CB C 84 17.465 17.632 -0.167 1
1 1083 . 15 1 1 A 89 89 ALA C C 84 175.125 178.003 -2.878 1
1 1085 . 15 1 1 A 90 90 PRO CA C 85 63.085 63.944 -0.859 1
1 1086 . 15 1 1 A 90 90 PRO HA H 85 4.386 4.384 0.002 1
1 1087 . 15 1 1 A 90 90 PRO CB C 85 31.491 32.139 -0.648 1
1 1095 . 15 1 1 A 90 90 PRO C C 85 176.381 176.268 0.113 1
1 1096 . 15 1 1 A 91 91 ASP N N 86 119.209 116.508 2.701 1
1 1097 . 15 1 1 A 91 91 ASP H H 86 8.429 8.138 0.291 1
1 1098 . 15 1 1 A 91 91 ASP CA C 86 53.752 54.617 -0.865 1
1 1099 . 15 1 1 A 91 91 ASP HA H 86 4.394 4.241 0.153 1
1 1100 . 15 1 1 A 91 91 ASP CB C 86 40.319 39.159 1.160 1
1 1103 . 15 1 1 A 91 91 ASP C C 86 176.101 176.110 -0.009 1
1 1104 . 15 1 1 A 92 92 LEU N N 87 122.571 120.480 2.091 1
1 1105 . 15 1 1 A 92 92 LEU H H 87 8.208 7.873 0.335 1
1 1106 . 15 1 1 A 92 92 LEU CA C 87 55.327 58.587 -3.260 1
1 1107 . 15 1 1 A 92 92 LEU HA H 87 4.205 3.866 0.339 1
1 1108 . 15 1 1 A 92 92 LEU CB C 87 41.636 41.875 -0.239 1
1 1121 . 15 1 1 A 92 92 LEU C C 87 177.406 178.042 -0.636 1
1 1122 . 15 1 1 A 93 93 ALA N N 88 123.131 119.658 3.473 1
1 1123 . 15 1 1 A 93 93 ALA H H 88 8.305 7.589 0.716 1
1 1124 . 15 1 1 A 93 93 ALA CA C 88 52.823 52.379 0.444 1
1 1125 . 15 1 1 A 93 93 ALA HA H 88 4.245 4.182 0.063 1
1 1129 . 15 1 1 A 93 93 ALA CB C 88 18.496 19.573 -1.077 1
1 1130 . 15 1 1 A 93 93 ALA C C 88 178.033 176.960 1.073 1
1 1131 . 15 1 1 A 94 94 THR N N 89 112.097 110.327 1.770 1
1 1132 . 15 1 1 A 94 94 THR H H 89 7.994 7.856 0.138 1
1 1133 . 15 1 1 A 94 94 THR CA C 89 61.892 61.651 0.241 1
1 1134 . 15 1 1 A 94 94 THR HA H 89 4.247 3.983 0.264 1
1 1135 . 15 1 1 A 94 94 THR CB C 89 69.076 67.692 1.384 1
1 1141 . 15 1 1 A 94 94 THR C C 89 174.478 173.650 0.828 1
1 1142 . 15 1 1 A 95 95 ARG N N 90 122.704 128.187 -5.483 1
1 1143 . 15 1 1 A 95 95 ARG H H 90 8.211 8.580 -0.369 1
1 1144 . 15 1 1 A 95 95 ARG CA C 90 55.803 55.239 0.564 1
1 1145 . 15 1 1 A 95 95 ARG HA H 90 4.336 4.327 0.009 1
1 1146 . 15 1 1 A 95 95 ARG CB C 90 30.263 28.279 1.984 1
1 1157 . 15 1 1 A 95 95 ARG C C 90 175.958 175.293 0.665 1
1 1158 . 15 1 1 A 96 96 SER N N 91 116.390 119.975 -3.585 1
1 1159 . 15 1 1 A 96 96 SER H H 91 8.365 8.338 0.027 1
1 1160 . 15 1 1 A 96 96 SER CA C 91 58.011 57.502 0.509 1
1 1161 . 15 1 1 A 96 96 SER HA H 91 4.383 4.805 -0.422 1
1 1162 . 15 1 1 A 96 96 SER CB C 91 63.261 64.455 -1.194 1
1 1165 . 15 1 1 A 96 96 SER C C 91 174.016 174.938 -0.922 1
1 1166 . 15 1 1 A 97 97 HIS N N 92 120.507 119.529 0.978 1
1 1167 . 15 1 1 A 97 97 HIS H H 92 8.541 7.918 0.623 1
1 1168 . 15 1 1 A 97 97 HIS CA C 92 55.068 56.874 -1.806 1
1 1169 . 15 1 1 A 97 97 HIS HA H 92 4.707 4.627 0.080 1
1 1170 . 15 1 1 A 97 97 HIS CB C 92 28.839 32.115 -3.276 1
1 1173 . 15 1 1 A 97 97 HIS C C 92 174.186 175.799 -1.613 1
1 1174 . 15 1 1 A 98 98 SER N N 93 116.801 110.981 5.820 1
1 1175 . 15 1 1 A 98 98 SER H H 93 8.455 7.660 0.795 1
1 1176 . 15 1 1 A 98 98 SER CA C 93 58.046 57.423 0.623 1
1 1177 . 15 1 1 A 98 98 SER HA H 93 4.450 4.628 -0.178 1
1 1178 . 15 1 1 A 98 98 SER CB C 93 63.434 63.696 -0.262 1
1 1181 . 15 1 1 A 98 98 SER C C 93 174.553 173.155 1.398 1
1 1182 . 15 1 1 A 99 99 GLY N N 94 111.114 114.968 -3.854 1
1 1183 . 15 1 1 A 99 99 GLY H H 94 8.597 8.245 0.352 1
1 1184 . 15 1 1 A 99 99 GLY CA C 94 44.888 44.939 -0.051 1
1 1185 . 15 1 1 A 99 99 GLY HA2 H 94 3.998 4.184 -0.186 1
1 1186 . 15 1 1 A 99 99 GLY HA3 H 94 3.998 4.219 -0.221 1
1 1187 . 15 1 1 A 99 99 GLY C C 94 173.856 173.577 0.279 1
1 1188 . 15 1 1 A 100 100 SER N N 95 115.398 118.757 -3.359 1
1 1189 . 15 1 1 A 100 100 SER H H 95 8.311 8.575 -0.264 1
1 1190 . 15 1 1 A 100 100 SER CA C 95 57.909 57.199 0.710 1
1 1191 . 15 1 1 A 100 100 SER HA H 95 4.422 4.744 -0.322 1
1 1192 . 15 1 1 A 100 100 SER CB C 95 63.377 64.938 -1.561 1
1 1195 . 15 1 1 A 100 100 SER C C 95 173.695 174.775 -1.080 1
1 1196 . 15 1 1 A 101 101 ASP N N 96 121.810 121.893 -0.083 1
1 1197 . 15 1 1 A 101 101 ASP H H 96 8.380 8.092 0.288 1
1 1198 . 15 1 1 A 101 101 ASP CA C 96 53.797 54.380 -0.583 1
1 1199 . 15 1 1 A 101 101 ASP HA H 96 4.546 5.024 -0.478 1
1 1200 . 15 1 1 A 101 101 ASP CB C 96 40.440 42.380 -1.940 1
1 1203 . 15 1 1 A 101 101 ASP C C 96 175.547 176.455 -0.908 1
1 1204 . 15 1 1 A 102 102 PHE N N 97 120.706 117.287 3.419 1
1 1205 . 15 1 1 A 102 102 PHE H H 97 8.249 8.051 0.198 1
1 1206 . 15 1 1 A 102 102 PHE CA C 97 57.444 58.262 -0.818 1
1 1207 . 15 1 1 A 102 102 PHE HA H 97 4.546 4.585 -0.039 1
1 1208 . 15 1 1 A 102 102 PHE CB C 97 38.772 39.458 -0.686 1
1 1214 . 15 1 1 A 102 102 PHE C C 97 175.312 175.782 -0.470 1
1 1215 . 15 1 1 A 103 103 SER N N 98 116.992 114.829 2.163 1
1 1216 . 15 1 1 A 103 103 SER H H 98 8.167 7.888 0.279 1
1 1217 . 15 1 1 A 103 103 SER CA C 98 57.983 57.689 0.294 1
1 1218 . 15 1 1 A 103 103 SER HA H 98 4.314 4.718 -0.404 1
1 1219 . 15 1 1 A 103 103 SER CB C 98 63.384 63.693 -0.309 1
1 1222 . 15 1 1 A 103 103 SER C C 98 173.286 173.079 0.207 1
1 1223 . 15 1 1 A 104 104 PHE N N 99 122.000 124.639 -2.639 1
1 1224 . 15 1 1 A 104 104 PHE H H 99 8.170 8.533 -0.363 1
1 1225 . 15 1 1 A 104 104 PHE CA C 99 57.354 56.271 1.083 1
1 1226 . 15 1 1 A 104 104 PHE HA H 99 4.545 4.639 -0.094 1
1 1227 . 15 1 1 A 104 104 PHE CB C 99 39.045 37.944 1.101 1
1 1233 . 15 1 1 A 104 104 PHE C C 99 174.621 174.953 -0.332 1
1 1234 . 15 1 1 A 105 105 ARG N N 100 124.796 126.604 -1.808 1
1 1235 . 15 1 1 A 105 105 ARG H H 100 8.101 8.281 -0.180 1
1 1236 . 15 1 1 A 105 105 ARG CA C 100 52.919 54.964 -2.045 1
1 1237 . 15 1 1 A 105 105 ARG HA H 100 4.542 4.472 0.070 1
1 1238 . 15 1 1 A 105 105 ARG CB C 100 29.973 29.737 0.236 1
1 1247 . 15 1 1 A 105 105 ARG C C 100 172.924 174.570 -1.646 1
1 1249 . 15 1 1 A 106 106 PRO CA C 101 62.366 62.505 -0.139 1
1 1250 . 15 1 1 A 106 106 PRO HA H 101 4.349 4.753 -0.404 1
1 1251 . 15 1 1 A 106 106 PRO CB C 101 31.609 33.423 -1.814 1
1 1259 . 15 1 1 A 106 106 PRO C C 101 176.395 176.627 -0.232 1
1 1260 . 15 1 1 A 107 107 ILE N N 102 121.380 120.774 0.606 1
1 1261 . 15 1 1 A 107 107 ILE H H 102 8.350 8.721 -0.371 1
1 1262 . 15 1 1 A 107 107 ILE CA C 102 60.925 60.565 0.360 1
1 1263 . 15 1 1 A 107 107 ILE HA H 102 4.050 4.627 -0.577 1
1 1264 . 15 1 1 A 107 107 ILE CB C 102 38.165 38.534 -0.369 1
1 1277 . 15 1 1 A 107 107 ILE C C 102 175.990 175.385 0.605 1
1 1278 . 15 1 1 A 108 108 GLU N N 103 124.836 118.273 6.563 1
1 1279 . 15 1 1 A 108 108 GLU H H 103 8.578 8.094 0.484 1
1 1280 . 15 1 1 A 108 108 GLU CA C 103 55.915 57.566 -1.651 1
1 1281 . 15 1 1 A 108 108 GLU HA H 103 4.279 3.925 0.354 1
1 1282 . 15 1 1 A 108 108 GLU CB C 103 29.902 27.504 2.398 1
1 1288 . 15 1 1 A 108 108 GLU C C 103 175.678 175.154 0.524 1
1 1289 . 15 1 1 A 109 109 GLU N N 104 122.847 119.138 3.709 1
1 1290 . 15 1 1 A 109 109 GLU H H 104 8.459 7.903 0.556 1
1 1291 . 15 1 1 A 109 109 GLU CA C 104 55.845 55.813 0.032 1
1 1292 . 15 1 1 A 109 109 GLU HA H 104 4.273 4.293 -0.020 1
1 1293 . 15 1 1 A 109 109 GLU CB C 104 29.990 28.956 1.034 1
1 1299 . 15 1 1 A 109 109 GLU C C 104 174.661 176.626 -1.965 1
1 3 . 16 1 1 A 2 2 SER N N -4 115.528 114.060 1.468 1
1 4 . 16 1 1 A 2 2 SER H H -4 8.751 7.762 0.989 1
1 5 . 16 1 1 A 2 2 SER CA C -4 57.819 56.872 0.947 1
1 6 . 16 1 1 A 2 2 SER HA H -4 4.461 4.402 0.059 1
1 7 . 16 1 1 A 2 2 SER CB C -4 63.389 64.093 -0.704 1
1 8 . 16 1 1 A 2 2 SER C C -4 173.924 173.632 0.292 1
1 9 . 16 1 1 A 3 3 HIS N N -3 120.998 116.084 4.914 1
1 10 . 16 1 1 A 3 3 HIS H H -3 8.769 8.246 0.523 1
1 11 . 16 1 1 A 3 3 HIS CA C -3 55.238 56.560 -1.322 1
1 12 . 16 1 1 A 3 3 HIS HA H -3 4.703 4.279 0.424 1
1 13 . 16 1 1 A 3 3 HIS CB C -3 28.916 28.386 0.530 1
1 16 . 16 1 1 A 3 3 HIS C C -3 174.207 174.657 -0.450 1
1 17 . 16 1 1 A 4 4 MET N N -2 122.227 113.840 8.387 1
1 18 . 16 1 1 A 4 4 MET H H -2 8.518 8.545 -0.027 1
1 19 . 16 1 1 A 4 4 MET CA C -2 55.003 56.491 -1.488 1
1 20 . 16 1 1 A 4 4 MET HA H -2 4.420 4.057 0.363 1
1 21 . 16 1 1 A 4 4 MET CB C -2 32.578 31.234 1.344 1
1 31 . 16 1 1 A 4 4 MET C C -2 175.475 176.267 -0.792 1
1 49 . 16 1 1 A 7 7 ALA N N 2 124.543 122.313 2.230 1
1 50 . 16 1 1 A 7 7 ALA H H 2 8.453 7.905 0.548 1
1 51 . 16 1 1 A 7 7 ALA CA C 2 53.203 54.897 -1.694 1
1 52 . 16 1 1 A 7 7 ALA HA H 2 4.211 4.109 0.102 1
1 56 . 16 1 1 A 7 7 ALA CB C 2 18.387 18.291 0.096 1
1 57 . 16 1 1 A 7 7 ALA C C 2 178.091 179.183 -1.092 1
1 58 . 16 1 1 A 8 8 ASP N N 3 118.618 118.139 0.479 1
1 59 . 16 1 1 A 8 8 ASP H H 3 8.064 7.869 0.195 1
1 60 . 16 1 1 A 8 8 ASP CA C 3 54.381 56.783 -2.402 1
1 61 . 16 1 1 A 8 8 ASP HA H 3 4.551 4.355 0.196 1
1 62 . 16 1 1 A 8 8 ASP CB C 3 40.446 40.916 -0.470 1
1 65 . 16 1 1 A 8 8 ASP C C 3 176.662 178.409 -1.747 1
1 66 . 16 1 1 A 9 9 LEU N N 4 123.427 120.519 2.908 1
1 67 . 16 1 1 A 9 9 LEU H H 4 8.202 7.718 0.484 1
1 68 . 16 1 1 A 9 9 LEU CA C 4 57.491 57.925 -0.434 1
1 69 . 16 1 1 A 9 9 LEU HA H 4 4.084 4.025 0.059 1
1 70 . 16 1 1 A 9 9 LEU CB C 4 41.745 41.654 0.091 1
1 80 . 16 1 1 A 9 9 LEU C C 4 178.873 178.669 0.204 1
1 81 . 16 1 1 A 10 10 VAL N N 5 119.385 119.313 0.072 1
1 82 . 16 1 1 A 10 10 VAL H H 5 8.186 8.296 -0.110 1
1 83 . 16 1 1 A 10 10 VAL CA C 5 66.686 66.541 0.145 1
1 84 . 16 1 1 A 10 10 VAL HA H 5 3.435 3.497 -0.062 1
1 85 . 16 1 1 A 10 10 VAL CB C 5 31.135 31.547 -0.412 1
1 95 . 16 1 1 A 10 10 VAL C C 5 177.408 178.190 -0.782 1
1 96 . 16 1 1 A 11 11 SER N N 6 115.027 115.643 -0.616 1
1 97 . 16 1 1 A 11 11 SER H H 6 8.252 8.028 0.224 1
1 98 . 16 1 1 A 11 11 SER CA C 6 61.229 61.577 -0.348 1
1 99 . 16 1 1 A 11 11 SER HA H 6 4.068 4.009 0.059 1
1 100 . 16 1 1 A 11 11 SER CB C 6 62.054 62.902 -0.848 1
1 103 . 16 1 1 A 11 11 SER C C 6 176.036 177.118 -1.082 1
1 104 . 16 1 1 A 12 12 SER N N 7 115.144 114.859 0.285 1
1 105 . 16 1 1 A 12 12 SER H H 7 8.053 7.904 0.149 1
1 106 . 16 1 1 A 12 12 SER CA C 7 60.212 61.577 -1.365 1
1 107 . 16 1 1 A 12 12 SER HA H 7 4.309 4.048 0.261 1
1 108 . 16 1 1 A 12 12 SER CB C 7 62.720 62.750 -0.030 1
1 111 . 16 1 1 A 12 12 SER C C 7 176.540 177.188 -0.648 1
1 112 . 16 1 1 A 13 13 CYS N N 8 118.211 119.187 -0.976 1
1 113 . 16 1 1 A 13 13 CYS H H 8 7.919 8.448 -0.529 1
1 114 . 16 1 1 A 13 13 CYS CA C 8 63.729 63.987 -0.258 1
1 115 . 16 1 1 A 13 13 CYS HA H 8 4.046 4.054 -0.008 1
1 116 . 16 1 1 A 13 13 CYS CB C 8 26.703 26.794 -0.091 1
1 119 . 16 1 1 A 13 13 CYS C C 8 175.645 177.080 -1.435 1
1 120 . 16 1 1 A 14 14 LYS N N 9 120.074 121.216 -1.142 1
1 121 . 16 1 1 A 14 14 LYS H H 9 8.632 8.156 0.476 1
1 122 . 16 1 1 A 14 14 LYS CA C 9 60.438 59.503 0.935 1
1 123 . 16 1 1 A 14 14 LYS HA H 9 3.668 4.005 -0.337 1
1 124 . 16 1 1 A 14 14 LYS CB C 9 31.655 32.042 -0.387 1
1 136 . 16 1 1 A 14 14 LYS C C 9 177.590 178.030 -0.440 1
1 137 . 16 1 1 A 15 15 ASP N N 10 117.611 119.388 -1.777 1
1 138 . 16 1 1 A 15 15 ASP H H 10 7.732 8.069 -0.337 1
1 139 . 16 1 1 A 15 15 ASP CA C 10 56.325 57.464 -1.139 1
1 140 . 16 1 1 A 15 15 ASP HA H 10 4.320 4.193 0.127 1
1 141 . 16 1 1 A 15 15 ASP CB C 10 40.092 41.831 -1.739 1
1 144 . 16 1 1 A 15 15 ASP C C 10 177.731 178.505 -0.774 1
1 145 . 16 1 1 A 16 16 LYS N N 11 117.878 119.261 -1.383 1
1 146 . 16 1 1 A 16 16 LYS H H 11 7.254 7.800 -0.546 1
1 147 . 16 1 1 A 16 16 LYS CA C 11 58.984 58.673 0.311 1
1 148 . 16 1 1 A 16 16 LYS HA H 11 3.662 3.352 0.310 1
1 149 . 16 1 1 A 16 16 LYS CB C 11 32.933 31.923 1.010 1
1 158 . 16 1 1 A 16 16 LYS C C 11 177.350 178.018 -0.668 1
1 159 . 16 1 1 A 17 17 LEU N N 12 115.652 121.576 -5.924 1
1 160 . 16 1 1 A 17 17 LEU H H 12 8.138 8.297 -0.159 1
1 161 . 16 1 1 A 17 17 LEU CA C 12 56.722 57.981 -1.259 1
1 162 . 16 1 1 A 17 17 LEU HA H 12 3.588 4.160 -0.572 1
1 163 . 16 1 1 A 17 17 LEU CB C 12 41.870 41.346 0.524 1
1 174 . 16 1 1 A 17 17 LEU C C 12 177.545 178.465 -0.920 1
1 175 . 16 1 1 A 18 18 ALA N N 13 116.045 120.840 -4.795 1
1 176 . 16 1 1 A 18 18 ALA H H 13 7.080 8.491 -1.411 1
1 177 . 16 1 1 A 18 18 ALA CA C 13 53.475 54.687 -1.212 1
1 178 . 16 1 1 A 18 18 ALA HA H 13 3.984 4.066 -0.082 1
1 182 . 16 1 1 A 18 18 ALA CB C 13 18.121 18.444 -0.323 1
1 183 . 16 1 1 A 18 18 ALA C C 13 178.298 179.634 -1.336 1
1 184 . 16 1 1 A 19 19 TYR N N 14 115.556 119.094 -3.538 1
1 185 . 16 1 1 A 19 19 TYR H H 14 7.675 7.504 0.171 1
1 186 . 16 1 1 A 19 19 TYR CA C 14 58.741 59.662 -0.921 1
1 187 . 16 1 1 A 19 19 TYR HA H 14 4.323 4.153 0.170 1
1 188 . 16 1 1 A 19 19 TYR CB C 14 38.610 39.068 -0.458 1
1 193 . 16 1 1 A 19 19 TYR C C 14 176.007 175.804 0.203 1
1 194 . 16 1 1 A 20 20 PHE N N 15 118.275 119.543 -1.268 1
1 195 . 16 1 1 A 20 20 PHE H H 15 7.406 7.598 -0.192 1
1 196 . 16 1 1 A 20 20 PHE CA C 15 56.542 56.965 -0.423 1
1 197 . 16 1 1 A 20 20 PHE HA H 15 4.652 4.890 -0.238 1
1 198 . 16 1 1 A 20 20 PHE CB C 15 38.561 40.917 -2.356 1
1 202 . 16 1 1 A 20 20 PHE C C 15 176.160 175.740 0.420 1
1 203 . 16 1 1 A 21 21 ARG N N 16 119.140 121.949 -2.809 1
1 204 . 16 1 1 A 21 21 ARG H H 16 8.714 8.740 -0.026 1
1 205 . 16 1 1 A 21 21 ARG CA C 16 54.474 56.254 -1.780 1
1 206 . 16 1 1 A 21 21 ARG HA H 16 4.747 4.331 0.416 1
1 207 . 16 1 1 A 21 21 ARG CB C 16 30.097 31.225 -1.128 1
1 223 . 16 1 1 A 21 21 ARG C C 16 177.095 177.761 -0.666 1
1 224 . 16 1 1 A 22 22 ILE N N 17 120.734 121.908 -1.174 1
1 225 . 16 1 1 A 22 22 ILE H H 17 8.708 8.795 -0.087 1
1 226 . 16 1 1 A 22 22 ILE CA C 17 65.114 64.836 0.278 1
1 227 . 16 1 1 A 22 22 ILE HA H 17 3.740 3.710 0.030 1
1 228 . 16 1 1 A 22 22 ILE CB C 17 36.768 37.675 -0.907 1
1 241 . 16 1 1 A 22 22 ILE C C 17 176.639 177.698 -1.059 1
1 242 . 16 1 1 A 23 23 LYS N N 18 118.184 121.940 -3.756 1
1 243 . 16 1 1 A 23 23 LYS H H 18 8.267 8.171 0.096 1
1 244 . 16 1 1 A 23 23 LYS CA C 18 59.978 59.692 0.286 1
1 245 . 16 1 1 A 23 23 LYS HA H 18 3.909 3.912 -0.003 1
1 246 . 16 1 1 A 23 23 LYS CB C 18 32.191 32.456 -0.265 1
1 258 . 16 1 1 A 23 23 LYS C C 18 178.185 178.821 -0.636 1
1 259 . 16 1 1 A 24 24 GLU N N 19 117.651 118.914 -1.263 1
1 260 . 16 1 1 A 24 24 GLU H H 19 7.198 7.981 -0.783 1
1 261 . 16 1 1 A 24 24 GLU CA C 19 60.601 59.267 1.334 1
1 262 . 16 1 1 A 24 24 GLU HA H 19 4.056 4.069 -0.013 1
1 263 . 16 1 1 A 24 24 GLU CB C 19 28.859 29.574 -0.715 1
1 269 . 16 1 1 A 24 24 GLU C C 19 178.542 179.332 -0.790 1
1 270 . 16 1 1 A 25 25 LEU N N 20 119.236 120.206 -0.970 1
1 271 . 16 1 1 A 25 25 LEU H H 20 7.980 8.325 -0.345 1
1 272 . 16 1 1 A 25 25 LEU CA C 20 57.812 58.073 -0.261 1
1 273 . 16 1 1 A 25 25 LEU HA H 20 3.947 4.026 -0.079 1
1 274 . 16 1 1 A 25 25 LEU CB C 20 42.172 41.311 0.861 1
1 281 . 16 1 1 A 25 25 LEU C C 20 178.081 179.049 -0.968 1
1 282 . 16 1 1 A 26 26 LYS N N 21 117.457 120.747 -3.290 1
1 283 . 16 1 1 A 26 26 LYS H H 21 8.770 8.364 0.406 1
1 284 . 16 1 1 A 26 26 LYS CA C 21 60.741 60.015 0.726 1
1 285 . 16 1 1 A 26 26 LYS HA H 21 3.806 3.944 -0.138 1
1 286 . 16 1 1 A 26 26 LYS CB C 21 31.876 32.216 -0.340 1
1 287 . 16 1 1 A 26 26 LYS C C 21 177.659 178.711 -1.052 1
1 288 . 16 1 1 A 27 27 ASP N N 22 119.023 119.735 -0.712 1
1 289 . 16 1 1 A 27 27 ASP H H 22 7.671 8.029 -0.358 1
1 290 . 16 1 1 A 27 27 ASP CA C 22 56.971 57.119 -0.148 1
1 291 . 16 1 1 A 27 27 ASP HA H 22 4.409 4.475 -0.066 1
1 292 . 16 1 1 A 27 27 ASP CB C 22 40.196 40.724 -0.528 1
1 295 . 16 1 1 A 27 27 ASP C C 22 180.796 178.957 1.839 1
1 296 . 16 1 1 A 28 28 ILE N N 23 119.318 120.091 -0.773 1
1 297 . 16 1 1 A 28 28 ILE H H 23 8.039 7.789 0.250 1
1 298 . 16 1 1 A 28 28 ILE CA C 23 65.328 65.554 -0.226 1
1 299 . 16 1 1 A 28 28 ILE HA H 23 3.601 3.663 -0.062 1
1 300 . 16 1 1 A 28 28 ILE CB C 23 37.309 38.186 -0.877 1
1 313 . 16 1 1 A 28 28 ILE C C 23 177.251 178.333 -1.082 1
1 314 . 16 1 1 A 29 29 LEU N N 24 120.356 121.413 -1.057 1
1 315 . 16 1 1 A 29 29 LEU H H 24 8.220 8.620 -0.400 1
1 316 . 16 1 1 A 29 29 LEU CA C 24 58.535 58.237 0.298 1
1 317 . 16 1 1 A 29 29 LEU HA H 24 3.824 4.033 -0.209 1
1 318 . 16 1 1 A 29 29 LEU CB C 24 39.478 41.411 -1.933 1
1 326 . 16 1 1 A 29 29 LEU C C 24 178.599 178.324 0.275 1
1 327 . 16 1 1 A 30 30 ASN N N 25 117.446 117.174 0.272 1
1 328 . 16 1 1 A 30 30 ASN H H 25 8.687 8.402 0.285 1
1 329 . 16 1 1 A 30 30 ASN CA C 25 56.241 56.978 -0.737 1
1 330 . 16 1 1 A 30 30 ASN HA H 25 4.520 4.385 0.135 1
1 331 . 16 1 1 A 30 30 ASN CB C 25 38.899 39.060 -0.161 1
1 338 . 16 1 1 A 30 30 ASN C C 25 178.958 177.976 0.982 1
1 339 . 16 1 1 A 31 31 GLN N N 26 119.946 117.930 2.016 1
1 340 . 16 1 1 A 31 31 GLN H H 26 8.184 7.758 0.426 1
1 341 . 16 1 1 A 31 31 GLN CA C 26 58.779 58.413 0.366 1
1 342 . 16 1 1 A 31 31 GLN HA H 26 4.055 4.123 -0.068 1
1 343 . 16 1 1 A 31 31 GLN CB C 26 29.109 28.364 0.745 1
1 353 . 16 1 1 A 31 31 GLN C C 26 177.586 178.912 -1.326 1
1 354 . 16 1 1 A 32 32 LEU N N 27 116.979 119.063 -2.084 1
1 355 . 16 1 1 A 32 32 LEU H H 27 7.893 7.845 0.048 1
1 356 . 16 1 1 A 32 32 LEU CA C 27 54.393 55.503 -1.110 1
1 357 . 16 1 1 A 32 32 LEU HA H 27 4.240 4.423 -0.183 1
1 358 . 16 1 1 A 32 32 LEU CB C 27 42.566 42.879 -0.313 1
1 369 . 16 1 1 A 32 32 LEU C C 27 175.693 176.863 -1.170 1
1 370 . 16 1 1 A 33 33 GLY N N 28 108.299 107.852 0.447 1
1 371 . 16 1 1 A 33 33 GLY H H 28 7.834 7.456 0.378 1
1 372 . 16 1 1 A 33 33 GLY CA C 28 45.707 44.968 0.739 1
1 373 . 16 1 1 A 33 33 GLY HA2 H 28 3.952 4.017 -0.065 1
1 374 . 16 1 1 A 33 33 GLY HA3 H 28 3.952 4.017 -0.065 1
1 375 . 16 1 1 A 33 33 GLY C C 28 174.317 174.878 -0.561 1
1 376 . 16 1 1 A 34 34 LEU N N 29 120.833 119.516 1.317 1
1 377 . 16 1 1 A 34 34 LEU H H 29 7.986 8.594 -0.608 1
1 378 . 16 1 1 A 34 34 LEU CA C 29 51.600 55.479 -3.879 1
1 379 . 16 1 1 A 34 34 LEU HA H 29 4.760 4.230 0.530 1
1 380 . 16 1 1 A 34 34 LEU CB C 29 43.531 39.639 3.892 1
1 392 . 16 1 1 A 35 35 PRO CA C 30 62.741 62.341 0.400 1
1 393 . 16 1 1 A 35 35 PRO HA H 30 4.365 4.514 -0.149 1
1 394 . 16 1 1 A 35 35 PRO CB C 30 31.856 32.778 -0.922 1
1 402 . 16 1 1 A 35 35 PRO C C 30 177.334 177.862 -0.528 1
1 403 . 16 1 1 A 36 36 LYS N N 31 117.589 120.689 -3.100 1
1 404 . 16 1 1 A 36 36 LYS H H 31 8.380 8.554 -0.174 1
1 405 . 16 1 1 A 36 36 LYS CA C 31 55.569 58.715 -3.146 1
1 406 . 16 1 1 A 36 36 LYS HA H 31 4.288 4.093 0.195 1
1 407 . 16 1 1 A 36 36 LYS CB C 31 33.225 32.088 1.137 1
1 417 . 16 1 1 A 36 36 LYS C C 31 174.406 176.290 -1.884 1
1 418 . 16 1 1 A 37 37 GLN N N 32 118.260 115.785 2.475 1
1 419 . 16 1 1 A 37 37 GLN H H 32 7.698 7.622 0.076 1
1 420 . 16 1 1 A 37 37 GLN CA C 32 55.716 54.659 1.057 1
1 421 . 16 1 1 A 37 37 GLN HA H 32 4.392 4.599 -0.207 1
1 422 . 16 1 1 A 37 37 GLN CB C 32 28.251 30.482 -2.231 1
1 432 . 16 1 1 A 37 37 GLN C C 32 175.122 174.030 1.092 1
1 433 . 16 1 1 A 38 38 GLY N N 33 109.855 106.753 3.102 1
1 434 . 16 1 1 A 38 38 GLY H H 33 8.449 8.469 -0.020 1
1 435 . 16 1 1 A 38 38 GLY CA C 33 43.315 45.579 -2.264 1
1 436 . 16 1 1 A 38 38 GLY HA2 H 33 4.600 4.154 0.446 1
1 437 . 16 1 1 A 38 38 GLY HA3 H 33 3.803 4.156 -0.353 1
1 438 . 16 1 1 A 38 38 GLY C C 33 173.537 172.979 0.558 1
1 439 . 16 1 1 A 39 39 LYS N N 34 117.627 123.875 -6.248 1
1 440 . 16 1 1 A 39 39 LYS H H 34 8.649 8.448 0.201 1
1 441 . 16 1 1 A 39 39 LYS CA C 34 54.916 55.428 -0.512 1
1 442 . 16 1 1 A 39 39 LYS HA H 34 4.395 4.466 -0.071 1
1 443 . 16 1 1 A 39 39 LYS CB C 34 32.893 33.183 -0.290 1
1 455 . 16 1 1 A 39 39 LYS C C 34 176.803 177.472 -0.669 1
1 456 . 16 1 1 A 40 40 LYS N N 35 121.705 119.353 2.352 1
1 457 . 16 1 1 A 40 40 LYS H H 35 8.920 8.783 0.137 1
1 458 . 16 1 1 A 40 40 LYS CA C 35 61.574 60.435 1.139 1
1 459 . 16 1 1 A 40 40 LYS HA H 35 3.599 3.911 -0.312 1
1 460 . 16 1 1 A 40 40 LYS CB C 35 31.924 32.105 -0.181 1
1 472 . 16 1 1 A 40 40 LYS C C 35 177.366 178.850 -1.484 1
1 473 . 16 1 1 A 41 41 GLN N N 36 114.634 119.522 -4.888 1
1 474 . 16 1 1 A 41 41 GLN H H 36 9.017 7.899 1.118 1
1 475 . 16 1 1 A 41 41 GLN CA C 36 57.636 59.151 -1.515 1
1 476 . 16 1 1 A 41 41 GLN HA H 36 3.731 3.990 -0.259 1
1 477 . 16 1 1 A 41 41 GLN CB C 36 27.865 28.383 -0.518 1
1 487 . 16 1 1 A 41 41 GLN C C 36 176.872 177.889 -1.017 1
1 488 . 16 1 1 A 42 42 ASP N N 37 115.980 120.038 -4.058 1
1 489 . 16 1 1 A 42 42 ASP H H 37 7.047 8.214 -1.167 1
1 490 . 16 1 1 A 42 42 ASP CA C 37 56.593 57.435 -0.842 1
1 491 . 16 1 1 A 42 42 ASP HA H 37 4.297 4.293 0.004 1
1 492 . 16 1 1 A 42 42 ASP CB C 37 39.839 40.553 -0.714 1
1 495 . 16 1 1 A 42 42 ASP C C 37 178.454 178.979 -0.525 1
1 496 . 16 1 1 A 43 43 LEU N N 38 119.074 120.566 -1.492 1
1 497 . 16 1 1 A 43 43 LEU H H 38 7.725 8.492 -0.767 1
1 498 . 16 1 1 A 43 43 LEU CA C 38 57.713 57.977 -0.264 1
1 499 . 16 1 1 A 43 43 LEU HA H 38 3.787 3.994 -0.207 1
1 500 . 16 1 1 A 43 43 LEU CB C 38 40.214 42.297 -2.083 1
1 513 . 16 1 1 A 43 43 LEU C C 38 177.872 179.000 -1.128 1
1 514 . 16 1 1 A 44 44 ILE N N 39 118.343 118.898 -0.555 1
1 515 . 16 1 1 A 44 44 ILE H H 39 7.867 8.068 -0.201 1
1 516 . 16 1 1 A 44 44 ILE CA C 39 66.090 65.530 0.560 1
1 517 . 16 1 1 A 44 44 ILE HA H 39 3.321 3.521 -0.200 1
1 518 . 16 1 1 A 44 44 ILE CB C 39 38.013 37.741 0.272 1
1 528 . 16 1 1 A 44 44 ILE C C 39 177.711 177.904 -0.193 1
1 529 . 16 1 1 A 45 45 ASP N N 40 118.533 120.210 -1.677 1
1 530 . 16 1 1 A 45 45 ASP H H 40 8.503 8.464 0.039 1
1 531 . 16 1 1 A 45 45 ASP CA C 40 57.009 57.470 -0.461 1
1 532 . 16 1 1 A 45 45 ASP HA H 40 4.272 4.416 -0.144 1
1 533 . 16 1 1 A 45 45 ASP CB C 40 39.419 40.207 -0.788 1
1 536 . 16 1 1 A 45 45 ASP C C 40 178.392 179.214 -0.822 1
1 537 . 16 1 1 A 46 46 ARG N N 41 120.911 120.281 0.630 1
1 538 . 16 1 1 A 46 46 ARG H H 41 7.717 7.817 -0.100 1
1 539 . 16 1 1 A 46 46 ARG CA C 41 59.048 59.640 -0.592 1
1 540 . 16 1 1 A 46 46 ARG HA H 41 3.991 4.053 -0.062 1
1 541 . 16 1 1 A 46 46 ARG CB C 41 29.817 30.730 -0.913 1
1 550 . 16 1 1 A 46 46 ARG C C 41 177.537 178.636 -1.099 1
1 551 . 16 1 1 A 47 47 VAL N N 42 117.438 119.820 -2.382 1
1 552 . 16 1 1 A 47 47 VAL H H 42 7.445 8.390 -0.945 1
1 553 . 16 1 1 A 47 47 VAL CA C 42 65.881 66.323 -0.442 1
1 554 . 16 1 1 A 47 47 VAL HA H 42 3.442 3.665 -0.223 1
1 555 . 16 1 1 A 47 47 VAL CB C 42 30.931 31.669 -0.738 1
1 565 . 16 1 1 A 47 47 VAL C C 42 177.671 178.026 -0.355 1
1 566 . 16 1 1 A 48 48 LEU N N 43 117.085 117.737 -0.652 1
1 567 . 16 1 1 A 48 48 LEU H H 43 8.466 8.118 0.348 1
1 568 . 16 1 1 A 48 48 LEU CA C 43 57.248 57.795 -0.547 1
1 569 . 16 1 1 A 48 48 LEU HA H 43 3.847 3.977 -0.130 1
1 570 . 16 1 1 A 48 48 LEU CB C 43 40.720 41.190 -0.470 1
1 583 . 16 1 1 A 48 48 LEU C C 43 179.581 179.495 0.086 1
1 584 . 16 1 1 A 49 49 ALA N N 44 120.479 122.048 -1.569 1
1 585 . 16 1 1 A 49 49 ALA H H 44 7.953 7.938 0.015 1
1 586 . 16 1 1 A 49 49 ALA CA C 44 53.997 54.612 -0.615 1
1 587 . 16 1 1 A 49 49 ALA HA H 44 4.123 4.121 0.002 1
1 591 . 16 1 1 A 49 49 ALA CB C 44 17.631 18.201 -0.570 1
1 592 . 16 1 1 A 49 49 ALA C C 44 178.926 179.466 -0.540 1
1 593 . 16 1 1 A 50 50 LEU N N 45 115.306 120.415 -5.109 1
1 594 . 16 1 1 A 50 50 LEU H H 45 7.428 7.771 -0.343 1
1 595 . 16 1 1 A 50 50 LEU CA C 45 55.652 57.639 -1.987 1
1 596 . 16 1 1 A 50 50 LEU HA H 45 4.219 4.121 0.098 1
1 597 . 16 1 1 A 50 50 LEU CB C 45 41.846 41.834 0.012 1
1 610 . 16 1 1 A 50 50 LEU C C 45 177.840 178.743 -0.903 1
1 611 . 16 1 1 A 51 51 LEU N N 46 115.880 118.653 -2.773 1
1 612 . 16 1 1 A 51 51 LEU H H 46 7.642 8.009 -0.367 1
1 613 . 16 1 1 A 51 51 LEU CA C 46 54.693 56.435 -1.742 1
1 614 . 16 1 1 A 51 51 LEU HA H 46 4.265 4.172 0.093 1
1 615 . 16 1 1 A 51 51 LEU CB C 46 42.040 41.858 0.182 1
1 625 . 16 1 1 A 51 51 LEU C C 46 176.015 177.626 -1.611 1
1 626 . 16 1 1 A 52 52 THR N N 47 109.201 112.882 -3.681 1
1 627 . 16 1 1 A 52 52 THR H H 47 7.516 7.488 0.028 1
1 628 . 16 1 1 A 52 52 THR CA C 47 60.834 64.599 -3.765 1
1 629 . 16 1 1 A 52 52 THR HA H 47 4.348 4.282 0.066 1
1 630 . 16 1 1 A 52 52 THR CB C 47 69.704 69.397 0.307 1
1 636 . 16 1 1 A 52 52 THR C C 47 173.733 175.421 -1.688 1
1 637 . 16 1 1 A 53 53 ASP N N 48 122.188 119.257 2.931 1
1 638 . 16 1 1 A 53 53 ASP H H 48 8.280 8.223 0.057 1
1 639 . 16 1 1 A 53 53 ASP CA C 48 54.185 56.262 -2.077 1
1 640 . 16 1 1 A 53 53 ASP HA H 48 4.699 4.567 0.132 1
1 641 . 16 1 1 A 53 53 ASP CB C 48 40.749 40.369 0.380 1
1 645 . 16 1 1 A 53 53 ASP C C 48 176.000 176.781 -0.781 1
1 646 . 16 1 1 A 54 54 GLU N N 49 121.966 118.865 3.101 1
1 647 . 16 1 1 A 54 54 GLU H H 49 8.588 7.783 0.805 1
1 648 . 16 1 1 A 54 54 GLU CA C 49 56.604 55.539 1.065 1
1 649 . 16 1 1 A 54 54 GLU HA H 49 4.229 4.778 -0.549 1
1 650 . 16 1 1 A 54 54 GLU CB C 49 29.642 30.859 -1.217 1
1 656 . 16 1 1 A 54 54 GLU C C 49 176.589 176.737 -0.148 1
1 657 . 16 1 1 A 55 55 GLN N N 50 120.727 118.807 1.920 1
1 658 . 16 1 1 A 55 55 GLN H H 50 8.642 7.835 0.807 1
1 659 . 16 1 1 A 55 55 GLN CA C 50 56.165 55.444 0.721 1
1 660 . 16 1 1 A 55 55 GLN HA H 50 4.226 4.139 0.087 1
1 661 . 16 1 1 A 55 55 GLN CB C 50 28.555 28.938 -0.383 1
1 671 . 16 1 1 A 55 55 GLN C C 50 176.554 176.820 -0.266 1
1 672 . 16 1 1 A 56 56 GLY N N 51 109.357 109.282 0.075 1
1 673 . 16 1 1 A 56 56 GLY H H 51 8.519 7.932 0.587 1
1 674 . 16 1 1 A 56 56 GLY CA C 51 45.276 46.563 -1.287 1
1 675 . 16 1 1 A 56 56 GLY HA2 H 51 3.951 3.426 0.525 1
1 676 . 16 1 1 A 56 56 GLY HA3 H 51 3.815 3.665 0.150 1
1 677 . 16 1 1 A 56 56 GLY C C 51 174.146 174.853 -0.707 1
1 678 . 16 1 1 A 57 57 GLN N N 52 119.207 118.766 0.441 1
1 679 . 16 1 1 A 57 57 GLN H H 52 8.263 7.956 0.307 1
1 680 . 16 1 1 A 57 57 GLN CA C 52 55.650 54.483 1.167 1
1 681 . 16 1 1 A 57 57 GLN HA H 52 4.217 4.517 -0.300 1
1 682 . 16 1 1 A 57 57 GLN CB C 52 28.723 29.838 -1.115 1
1 692 . 16 1 1 A 57 57 GLN C C 52 175.872 175.949 -0.077 1
1 693 . 16 1 1 A 58 58 ARG N N 53 120.525 119.053 1.472 1
1 694 . 16 1 1 A 58 58 ARG H H 53 8.279 7.783 0.496 1
1 695 . 16 1 1 A 58 58 ARG CA C 53 55.854 56.631 -0.777 1
1 696 . 16 1 1 A 58 58 ARG HA H 53 4.204 4.552 -0.348 1
1 697 . 16 1 1 A 58 58 ARG CB C 53 29.944 33.410 -3.466 1
1 708 . 16 1 1 A 58 58 ARG C C 53 175.819 176.127 -0.308 1
1 709 . 16 1 1 A 59 59 HIS N N 54 118.905 116.183 2.722 1
1 710 . 16 1 1 A 59 59 HIS H H 54 8.397 7.583 0.814 1
1 711 . 16 1 1 A 59 59 HIS CA C 54 55.130 56.541 -1.411 1
1 712 . 16 1 1 A 59 59 HIS HA H 54 4.554 4.866 -0.312 1
1 713 . 16 1 1 A 59 59 HIS CB C 54 28.953 32.800 -3.847 1
1 716 . 16 1 1 A 59 59 HIS C C 54 174.248 175.445 -1.197 1
1 717 . 16 1 1 A 60 60 HIS N N 55 119.527 113.423 6.104 1
1 718 . 16 1 1 A 60 60 HIS H H 55 8.493 7.877 0.616 1
1 719 . 16 1 1 A 60 60 HIS CA C 55 55.589 54.221 1.368 1
1 720 . 16 1 1 A 60 60 HIS HA H 55 4.553 4.042 0.511 1
1 721 . 16 1 1 A 60 60 HIS CB C 55 28.913 29.235 -0.322 1
1 724 . 16 1 1 A 60 60 HIS C C 55 174.759 174.585 0.174 1
1 725 . 16 1 1 A 61 61 GLY N N 56 110.215 107.870 2.345 1
1 726 . 16 1 1 A 61 61 GLY H H 56 8.604 8.191 0.413 1
1 727 . 16 1 1 A 61 61 GLY CA C 56 44.977 46.176 -1.199 1
1 728 . 16 1 1 A 61 61 GLY HA2 H 56 3.958 3.601 0.357 1
1 729 . 16 1 1 A 61 61 GLY HA3 H 56 3.833 3.718 0.115 1
1 730 . 16 1 1 A 61 61 GLY C C 56 173.752 174.641 -0.889 1
1 731 . 16 1 1 A 62 62 TRP N N 57 120.700 121.603 -0.903 1
1 732 . 16 1 1 A 62 62 TRP H H 57 8.175 7.284 0.891 1
1 733 . 16 1 1 A 62 62 TRP CA C 57 56.935 57.578 -0.643 1
1 734 . 16 1 1 A 62 62 TRP HA H 57 4.658 4.851 -0.193 1
1 735 . 16 1 1 A 62 62 TRP CB C 57 29.018 31.131 -2.113 1
1 750 . 16 1 1 A 62 62 TRP C C 57 176.442 177.123 -0.681 1
1 751 . 16 1 1 A 63 63 GLY N N 58 110.195 108.989 1.206 1
1 752 . 16 1 1 A 63 63 GLY H H 58 8.452 8.194 0.258 1
1 753 . 16 1 1 A 63 63 GLY CA C 58 45.052 46.519 -1.467 1
1 754 . 16 1 1 A 63 63 GLY HA2 H 58 3.925 3.936 -0.011 1
1 755 . 16 1 1 A 63 63 GLY HA3 H 58 3.833 3.993 -0.160 1
1 756 . 16 1 1 A 63 63 GLY C C 58 173.738 174.756 -1.018 1
1 757 . 16 1 1 A 64 64 ARG N N 59 120.374 120.592 -0.218 1
1 758 . 16 1 1 A 64 64 ARG H H 59 8.136 8.208 -0.072 1
1 759 . 16 1 1 A 64 64 ARG CA C 59 55.779 56.757 -0.978 1
1 760 . 16 1 1 A 64 64 ARG HA H 59 4.287 4.795 -0.508 1
1 761 . 16 1 1 A 64 64 ARG CB C 59 30.244 30.555 -0.311 1
1 772 . 16 1 1 A 64 64 ARG C C 59 176.269 176.295 -0.026 1
1 773 . 16 1 1 A 65 65 LYS N N 60 121.590 121.245 0.345 1
1 774 . 16 1 1 A 65 65 LYS H H 60 8.483 7.724 0.759 1
1 775 . 16 1 1 A 65 65 LYS CA C 60 56.435 55.137 1.298 1
1 776 . 16 1 1 A 65 65 LYS HA H 60 4.226 4.490 -0.264 1
1 777 . 16 1 1 A 65 65 LYS CB C 60 32.259 33.082 -0.823 1
1 783 . 16 1 1 A 65 65 LYS C C 60 176.075 176.929 -0.854 1
1 784 . 16 1 1 A 66 66 ASN N N 61 118.654 118.570 0.084 1
1 785 . 16 1 1 A 66 66 ASN H H 61 8.413 8.049 0.364 1
1 786 . 16 1 1 A 66 66 ASN CA C 61 53.042 51.792 1.250 1
1 787 . 16 1 1 A 66 66 ASN HA H 61 4.651 4.823 -0.172 1
1 788 . 16 1 1 A 66 66 ASN CB C 61 38.348 37.840 0.508 1
1 795 . 16 1 1 A 66 66 ASN C C 61 174.530 175.482 -0.952 1
1 796 . 16 1 1 A 67 67 SER N N 62 115.494 114.554 0.940 1
1 797 . 16 1 1 A 67 67 SER H H 62 8.289 8.166 0.123 1
1 798 . 16 1 1 A 67 67 SER CA C 62 58.090 59.238 -1.148 1
1 799 . 16 1 1 A 67 67 SER HA H 62 4.294 4.178 0.116 1
1 800 . 16 1 1 A 67 67 SER CB C 62 63.205 62.098 1.107 1
1 803 . 16 1 1 A 67 67 SER C C 62 173.894 174.944 -1.050 1
1 804 . 16 1 1 A 68 68 LEU N N 63 123.552 117.149 6.403 1
1 805 . 16 1 1 A 68 68 LEU H H 63 8.063 7.780 0.283 1
1 806 . 16 1 1 A 68 68 LEU CA C 63 54.124 53.934 0.190 1
1 807 . 16 1 1 A 68 68 LEU HA H 63 4.495 4.613 -0.118 1
1 808 . 16 1 1 A 68 68 LEU CB C 63 42.447 42.354 0.093 1
1 821 . 16 1 1 A 68 68 LEU C C 63 176.587 176.156 0.431 1
1 822 . 16 1 1 A 69 69 THR N N 64 112.637 114.093 -1.456 1
1 823 . 16 1 1 A 69 69 THR H H 64 7.797 7.480 0.317 1
1 824 . 16 1 1 A 69 69 THR CA C 64 60.021 60.224 -0.203 1
1 825 . 16 1 1 A 69 69 THR HA H 64 4.490 4.658 -0.168 1
1 826 . 16 1 1 A 69 69 THR CB C 64 70.896 70.952 -0.056 1
1 832 . 16 1 1 A 69 69 THR C C 64 174.998 175.839 -0.841 1
1 833 . 16 1 1 A 70 70 LYS N N 65 120.128 123.178 -3.050 1
1 834 . 16 1 1 A 70 70 LYS H H 65 9.059 9.086 -0.027 1
1 835 . 16 1 1 A 70 70 LYS CA C 65 59.374 59.061 0.313 1
1 836 . 16 1 1 A 70 70 LYS HA H 65 3.941 4.019 -0.078 1
1 837 . 16 1 1 A 70 70 LYS CB C 65 31.830 31.850 -0.020 1
1 843 . 16 1 1 A 70 70 LYS C C 65 177.539 178.537 -0.998 1
1 844 . 16 1 1 A 71 71 GLU N N 66 117.667 119.737 -2.070 1
1 845 . 16 1 1 A 71 71 GLU H H 66 8.699 8.625 0.074 1
1 846 . 16 1 1 A 71 71 GLU CA C 66 60.307 59.126 1.181 1
1 847 . 16 1 1 A 71 71 GLU HA H 66 3.812 4.107 -0.295 1
1 848 . 16 1 1 A 71 71 GLU CB C 66 27.903 29.781 -1.878 1
1 855 . 16 1 1 A 71 71 GLU C C 66 178.499 179.029 -0.530 1
1 856 . 16 1 1 A 72 72 ALA N N 67 123.914 122.185 1.729 1
1 857 . 16 1 1 A 72 72 ALA H H 67 7.991 7.396 0.595 1
1 858 . 16 1 1 A 72 72 ALA CA C 67 54.601 54.841 -0.240 1
1 859 . 16 1 1 A 72 72 ALA HA H 67 4.116 4.099 0.017 1
1 863 . 16 1 1 A 72 72 ALA CB C 67 18.288 18.964 -0.676 1
1 864 . 16 1 1 A 72 72 ALA C C 67 178.721 179.468 -0.747 1
1 865 . 16 1 1 A 73 73 VAL N N 68 119.435 118.334 1.101 1
1 866 . 16 1 1 A 73 73 VAL H H 68 8.045 8.053 -0.008 1
1 867 . 16 1 1 A 73 73 VAL CA C 68 66.211 66.609 -0.398 1
1 868 . 16 1 1 A 73 73 VAL HA H 68 3.470 3.575 -0.105 1
1 869 . 16 1 1 A 73 73 VAL CB C 68 31.103 31.541 -0.438 1
1 879 . 16 1 1 A 73 73 VAL C C 68 177.001 178.492 -1.491 1
1 880 . 16 1 1 A 74 74 ALA N N 69 120.667 121.597 -0.930 1
1 881 . 16 1 1 A 74 74 ALA H H 69 8.407 8.217 0.190 1
1 882 . 16 1 1 A 74 74 ALA CA C 69 54.687 55.123 -0.436 1
1 883 . 16 1 1 A 74 74 ALA HA H 69 3.981 4.140 -0.159 1
1 887 . 16 1 1 A 74 74 ALA CB C 69 18.048 18.192 -0.144 1
1 888 . 16 1 1 A 74 74 ALA C C 69 178.865 179.717 -0.852 1
1 889 . 16 1 1 A 75 75 LYS N N 70 118.628 118.097 0.531 1
1 890 . 16 1 1 A 75 75 LYS H H 70 7.930 7.842 0.088 1
1 891 . 16 1 1 A 75 75 LYS CA C 70 58.914 59.775 -0.861 1
1 892 . 16 1 1 A 75 75 LYS HA H 70 4.105 4.058 0.047 1
1 893 . 16 1 1 A 75 75 LYS CB C 70 31.806 32.331 -0.525 1
1 903 . 16 1 1 A 75 75 LYS C C 70 177.409 179.122 -1.713 1
1 904 . 16 1 1 A 76 76 ILE N N 71 120.231 119.893 0.338 1
1 905 . 16 1 1 A 76 76 ILE H H 71 7.478 7.826 -0.348 1
1 906 . 16 1 1 A 76 76 ILE CA C 71 64.835 64.763 0.072 1
1 907 . 16 1 1 A 76 76 ILE HA H 71 3.973 3.799 0.174 1
1 908 . 16 1 1 A 76 76 ILE CB C 71 37.788 37.181 0.607 1
1 921 . 16 1 1 A 76 76 ILE C C 71 179.734 178.226 1.508 1
1 922 . 16 1 1 A 77 77 VAL N N 72 122.505 120.395 2.110 1
1 923 . 16 1 1 A 77 77 VAL H H 72 8.325 8.104 0.221 1
1 924 . 16 1 1 A 77 77 VAL CA C 72 67.425 66.725 0.700 1
1 925 . 16 1 1 A 77 77 VAL HA H 72 3.581 3.732 -0.151 1
1 926 . 16 1 1 A 77 77 VAL CB C 72 30.885 31.683 -0.798 1
1 936 . 16 1 1 A 77 77 VAL C C 72 176.939 178.266 -1.327 1
1 937 . 16 1 1 A 78 78 ASP N N 73 120.524 120.553 -0.029 1
1 938 . 16 1 1 A 78 78 ASP H H 73 8.798 8.365 0.433 1
1 939 . 16 1 1 A 78 78 ASP CA C 73 58.163 57.555 0.608 1
1 940 . 16 1 1 A 78 78 ASP HA H 73 4.392 4.492 -0.100 1
1 941 . 16 1 1 A 78 78 ASP CB C 73 41.459 41.444 0.015 1
1 945 . 16 1 1 A 78 78 ASP C C 73 178.122 178.391 -0.269 1
1 946 . 16 1 1 A 79 79 ASP N N 74 119.762 119.703 0.059 1
1 947 . 16 1 1 A 79 79 ASP H H 74 9.318 8.204 1.114 1
1 948 . 16 1 1 A 79 79 ASP CA C 74 57.122 57.314 -0.192 1
1 949 . 16 1 1 A 79 79 ASP HA H 74 4.405 4.384 0.021 1
1 950 . 16 1 1 A 79 79 ASP CB C 74 39.850 40.767 -0.917 1
1 954 . 16 1 1 A 79 79 ASP C C 74 178.921 178.792 0.129 1
1 955 . 16 1 1 A 80 80 THR N N 75 117.347 116.783 0.564 1
1 956 . 16 1 1 A 80 80 THR H H 75 8.084 8.266 -0.182 1
1 957 . 16 1 1 A 80 80 THR CA C 75 67.055 66.457 0.598 1
1 958 . 16 1 1 A 80 80 THR HA H 75 3.846 3.906 -0.060 1
1 959 . 16 1 1 A 80 80 THR CB C 75 67.692 68.332 -0.640 1
1 965 . 16 1 1 A 80 80 THR C C 75 175.367 175.738 -0.371 1
1 966 . 16 1 1 A 81 81 TYR N N 76 123.735 121.980 1.755 1
1 967 . 16 1 1 A 81 81 TYR H H 76 8.830 8.116 0.714 1
1 968 . 16 1 1 A 81 81 TYR CA C 76 61.712 61.868 -0.156 1
1 969 . 16 1 1 A 81 81 TYR HA H 76 4.269 4.324 -0.055 1
1 970 . 16 1 1 A 81 81 TYR CB C 76 38.639 38.986 -0.347 1
1 974 . 16 1 1 A 81 81 TYR C C 76 176.700 178.096 -1.396 1
1 975 . 16 1 1 A 82 82 ARG N N 77 118.508 119.117 -0.609 1
1 976 . 16 1 1 A 82 82 ARG H H 77 8.755 8.740 0.015 1
1 977 . 16 1 1 A 82 82 ARG CA C 77 58.776 58.892 -0.116 1
1 978 . 16 1 1 A 82 82 ARG HA H 77 3.892 3.933 -0.041 1
1 979 . 16 1 1 A 82 82 ARG CB C 77 29.459 29.857 -0.398 1
1 995 . 16 1 1 A 82 82 ARG C C 77 178.748 178.567 0.181 1
1 996 . 16 1 1 A 83 83 LYS N N 78 118.075 119.589 -1.514 1
1 997 . 16 1 1 A 83 83 LYS H H 78 7.696 7.652 0.044 1
1 998 . 16 1 1 A 83 83 LYS CA C 78 58.614 58.989 -0.375 1
1 999 . 16 1 1 A 83 83 LYS HA H 78 4.031 4.085 -0.054 1
1 1000 . 16 1 1 A 83 83 LYS CB C 78 32.055 32.288 -0.233 1
1 1005 . 16 1 1 A 83 83 LYS C C 78 177.890 178.440 -0.550 1
1 1006 . 16 1 1 A 84 84 MET N N 79 118.233 119.207 -0.974 1
1 1007 . 16 1 1 A 84 84 MET H H 79 7.748 8.090 -0.342 1
1 1008 . 16 1 1 A 84 84 MET CA C 79 57.254 58.030 -0.776 1
1 1009 . 16 1 1 A 84 84 MET HA H 79 4.189 4.226 -0.037 1
1 1010 . 16 1 1 A 84 84 MET CB C 79 32.169 32.319 -0.150 1
1 1020 . 16 1 1 A 84 84 MET C C 79 177.036 178.265 -1.229 1
1 1021 . 16 1 1 A 85 85 GLN N N 80 117.242 119.130 -1.888 1
1 1022 . 16 1 1 A 85 85 GLN H H 80 7.843 8.025 -0.182 1
1 1023 . 16 1 1 A 85 85 GLN CA C 80 56.500 58.442 -1.942 1
1 1024 . 16 1 1 A 85 85 GLN HA H 80 3.993 4.190 -0.197 1
1 1025 . 16 1 1 A 85 85 GLN CB C 80 28.124 28.250 -0.126 1
1 1035 . 16 1 1 A 85 85 GLN C C 80 176.756 175.589 1.167 1
1 1036 . 16 1 1 A 86 86 ILE N N 81 119.178 118.927 0.251 1
1 1037 . 16 1 1 A 86 86 ILE H H 81 7.715 7.886 -0.171 1
1 1038 . 16 1 1 A 86 86 ILE CA C 81 61.995 62.511 -0.516 1
1 1039 . 16 1 1 A 86 86 ILE HA H 81 3.948 3.965 -0.017 1
1 1040 . 16 1 1 A 86 86 ILE CB C 81 37.856 35.862 1.994 1
1 1052 . 16 1 1 A 86 86 ILE C C 81 176.728 174.762 1.966 1
1 1053 . 16 1 1 A 87 87 GLN N N 82 121.380 120.838 0.542 1
1 1054 . 16 1 1 A 87 87 GLN H H 82 8.164 7.693 0.471 1
1 1055 . 16 1 1 A 87 87 GLN CA C 82 56.075 55.164 0.911 1
1 1056 . 16 1 1 A 87 87 GLN HA H 82 4.227 4.333 -0.106 1
1 1057 . 16 1 1 A 87 87 GLN CB C 82 28.735 30.478 -1.743 1
1 1066 . 16 1 1 A 87 87 GLN C C 82 175.836 175.839 -0.003 1
1 1067 . 16 1 1 A 88 88 CYS N N 83 118.668 120.413 -1.745 1
1 1068 . 16 1 1 A 88 88 CYS H H 83 8.238 8.498 -0.260 1
1 1069 . 16 1 1 A 88 88 CYS CA C 83 58.012 58.351 -0.339 1
1 1070 . 16 1 1 A 88 88 CYS HA H 83 4.475 4.498 -0.023 1
1 1071 . 16 1 1 A 88 88 CYS CB C 83 27.697 26.237 1.460 1
1 1074 . 16 1 1 A 88 88 CYS C C 83 173.428 174.077 -0.649 1
1 1075 . 16 1 1 A 89 89 ALA N N 84 127.014 119.606 7.408 1
1 1076 . 16 1 1 A 89 89 ALA H H 84 8.249 7.939 0.310 1
1 1077 . 16 1 1 A 89 89 ALA CA C 84 50.615 53.167 -2.552 1
1 1078 . 16 1 1 A 89 89 ALA HA H 84 4.562 4.136 0.426 1
1 1082 . 16 1 1 A 89 89 ALA CB C 84 17.465 18.127 -0.662 1
1 1083 . 16 1 1 A 89 89 ALA C C 84 175.125 177.658 -2.533 1
1 1085 . 16 1 1 A 90 90 PRO CA C 85 63.085 63.564 -0.479 1
1 1086 . 16 1 1 A 90 90 PRO HA H 85 4.386 4.524 -0.138 1
1 1087 . 16 1 1 A 90 90 PRO CB C 85 31.491 32.311 -0.820 1
1 1095 . 16 1 1 A 90 90 PRO C C 85 176.381 177.171 -0.790 1
1 1096 . 16 1 1 A 91 91 ASP N N 86 119.209 118.765 0.444 1
1 1097 . 16 1 1 A 91 91 ASP H H 86 8.429 8.155 0.274 1
1 1098 . 16 1 1 A 91 91 ASP CA C 86 53.752 54.988 -1.236 1
1 1099 . 16 1 1 A 91 91 ASP HA H 86 4.394 4.340 0.054 1
1 1100 . 16 1 1 A 91 91 ASP CB C 86 40.319 39.265 1.054 1
1 1103 . 16 1 1 A 91 91 ASP C C 86 176.101 176.664 -0.563 1
1 1104 . 16 1 1 A 92 92 LEU N N 87 122.571 121.059 1.512 1
1 1105 . 16 1 1 A 92 92 LEU H H 87 8.208 7.941 0.267 1
1 1106 . 16 1 1 A 92 92 LEU CA C 87 55.327 56.239 -0.912 1
1 1107 . 16 1 1 A 92 92 LEU HA H 87 4.205 4.466 -0.261 1
1 1108 . 16 1 1 A 92 92 LEU CB C 87 41.636 42.543 -0.907 1
1 1121 . 16 1 1 A 92 92 LEU C C 87 177.406 176.212 1.194 1
1 1122 . 16 1 1 A 93 93 ALA N N 88 123.131 120.911 2.220 1
1 1123 . 16 1 1 A 93 93 ALA H H 88 8.305 7.972 0.333 1
1 1124 . 16 1 1 A 93 93 ALA CA C 88 52.823 53.618 -0.795 1
1 1125 . 16 1 1 A 93 93 ALA HA H 88 4.245 4.051 0.194 1
1 1129 . 16 1 1 A 93 93 ALA CB C 88 18.496 17.634 0.862 1
1 1130 . 16 1 1 A 93 93 ALA C C 88 178.033 176.454 1.579 1
1 1131 . 16 1 1 A 94 94 THR N N 89 112.097 102.504 9.593 1
1 1132 . 16 1 1 A 94 94 THR H H 89 7.994 8.261 -0.267 1
1 1133 . 16 1 1 A 94 94 THR CA C 89 61.892 62.995 -1.103 1
1 1134 . 16 1 1 A 94 94 THR HA H 89 4.247 3.919 0.328 1
1 1135 . 16 1 1 A 94 94 THR CB C 89 69.076 66.604 2.472 1
1 1141 . 16 1 1 A 94 94 THR C C 89 174.478 173.808 0.670 1
1 1142 . 16 1 1 A 95 95 ARG N N 90 122.704 114.491 8.213 1
1 1143 . 16 1 1 A 95 95 ARG H H 90 8.211 8.071 0.140 1
1 1144 . 16 1 1 A 95 95 ARG CA C 90 55.803 57.176 -1.373 1
1 1145 . 16 1 1 A 95 95 ARG HA H 90 4.336 4.097 0.239 1
1 1146 . 16 1 1 A 95 95 ARG CB C 90 30.263 27.664 2.599 1
1 1157 . 16 1 1 A 95 95 ARG C C 90 175.958 176.303 -0.345 1
1 1158 . 16 1 1 A 96 96 SER N N 91 116.390 113.851 2.539 1
1 1159 . 16 1 1 A 96 96 SER H H 91 8.365 8.372 -0.007 1
1 1160 . 16 1 1 A 96 96 SER CA C 91 58.011 61.130 -3.119 1
1 1161 . 16 1 1 A 96 96 SER HA H 91 4.383 4.186 0.197 1
1 1162 . 16 1 1 A 96 96 SER CB C 91 63.261 62.943 0.318 1
1 1165 . 16 1 1 A 96 96 SER C C 91 174.016 175.771 -1.755 1
1 1166 . 16 1 1 A 97 97 HIS N N 92 120.507 119.648 0.859 1
1 1167 . 16 1 1 A 97 97 HIS H H 92 8.541 7.726 0.815 1
1 1168 . 16 1 1 A 97 97 HIS CA C 92 55.068 54.352 0.716 1
1 1169 . 16 1 1 A 97 97 HIS HA H 92 4.707 4.604 0.103 1
1 1170 . 16 1 1 A 97 97 HIS CB C 92 28.839 28.498 0.341 1
1 1173 . 16 1 1 A 97 97 HIS C C 92 174.186 173.458 0.728 1
1 1174 . 16 1 1 A 98 98 SER N N 93 116.801 115.173 1.628 1
1 1175 . 16 1 1 A 98 98 SER H H 93 8.455 8.263 0.192 1
1 1176 . 16 1 1 A 98 98 SER CA C 93 58.046 57.672 0.374 1
1 1177 . 16 1 1 A 98 98 SER HA H 93 4.450 4.902 -0.452 1
1 1178 . 16 1 1 A 98 98 SER CB C 93 63.434 65.730 -2.296 1
1 1181 . 16 1 1 A 98 98 SER C C 93 174.553 172.850 1.703 1
1 1182 . 16 1 1 A 99 99 GLY N N 94 111.114 109.416 1.698 1
1 1183 . 16 1 1 A 99 99 GLY H H 94 8.597 8.567 0.030 1
1 1184 . 16 1 1 A 99 99 GLY CA C 94 44.888 45.205 -0.317 1
1 1185 . 16 1 1 A 99 99 GLY HA2 H 94 3.998 4.244 -0.246 1
1 1186 . 16 1 1 A 99 99 GLY HA3 H 94 3.998 4.250 -0.252 1
1 1187 . 16 1 1 A 99 99 GLY C C 94 173.856 174.298 -0.442 1
1 1188 . 16 1 1 A 100 100 SER N N 95 115.398 116.107 -0.709 1
1 1189 . 16 1 1 A 100 100 SER H H 95 8.311 8.604 -0.293 1
1 1190 . 16 1 1 A 100 100 SER CA C 95 57.909 57.356 0.553 1
1 1191 . 16 1 1 A 100 100 SER HA H 95 4.422 4.763 -0.341 1
1 1192 . 16 1 1 A 100 100 SER CB C 95 63.377 64.874 -1.497 1
1 1195 . 16 1 1 A 100 100 SER C C 95 173.695 174.353 -0.658 1
1 1196 . 16 1 1 A 101 101 ASP N N 96 121.810 116.958 4.852 1
1 1197 . 16 1 1 A 101 101 ASP H H 96 8.380 8.374 0.006 1
1 1198 . 16 1 1 A 101 101 ASP CA C 96 53.797 55.675 -1.878 1
1 1199 . 16 1 1 A 101 101 ASP HA H 96 4.546 4.402 0.144 1
1 1200 . 16 1 1 A 101 101 ASP CB C 96 40.440 39.085 1.355 1
1 1203 . 16 1 1 A 101 101 ASP C C 96 175.547 176.208 -0.661 1
1 1204 . 16 1 1 A 102 102 PHE N N 97 120.706 116.493 4.213 1
1 1205 . 16 1 1 A 102 102 PHE H H 97 8.249 8.589 -0.340 1
1 1206 . 16 1 1 A 102 102 PHE CA C 97 57.444 58.971 -1.527 1
1 1207 . 16 1 1 A 102 102 PHE HA H 97 4.546 4.197 0.349 1
1 1208 . 16 1 1 A 102 102 PHE CB C 97 38.772 37.828 0.944 1
1 1214 . 16 1 1 A 102 102 PHE C C 97 175.312 174.918 0.394 1
1 1215 . 16 1 1 A 103 103 SER N N 98 116.992 114.202 2.790 1
1 1216 . 16 1 1 A 103 103 SER H H 98 8.167 8.892 -0.725 1
1 1217 . 16 1 1 A 103 103 SER CA C 98 57.983 60.218 -2.235 1
1 1218 . 16 1 1 A 103 103 SER HA H 98 4.314 4.490 -0.176 1
1 1219 . 16 1 1 A 103 103 SER CB C 98 63.384 62.495 0.889 1
1 1222 . 16 1 1 A 103 103 SER C C 98 173.286 173.280 0.006 1
1 1223 . 16 1 1 A 104 104 PHE N N 99 122.000 123.684 -1.684 1
1 1224 . 16 1 1 A 104 104 PHE H H 99 8.170 8.754 -0.584 1
1 1225 . 16 1 1 A 104 104 PHE CA C 99 57.354 56.702 0.652 1
1 1226 . 16 1 1 A 104 104 PHE HA H 99 4.545 4.770 -0.225 1
1 1227 . 16 1 1 A 104 104 PHE CB C 99 39.045 39.873 -0.828 1
1 1233 . 16 1 1 A 104 104 PHE C C 99 174.621 175.214 -0.593 1
1 1234 . 16 1 1 A 105 105 ARG N N 100 124.796 120.907 3.889 1
1 1235 . 16 1 1 A 105 105 ARG H H 100 8.101 7.290 0.811 1
1 1236 . 16 1 1 A 105 105 ARG CA C 100 52.919 54.804 -1.885 1
1 1237 . 16 1 1 A 105 105 ARG HA H 100 4.542 4.413 0.129 1
1 1238 . 16 1 1 A 105 105 ARG CB C 100 29.973 29.454 0.519 1
1 1247 . 16 1 1 A 105 105 ARG C C 100 172.924 174.316 -1.392 1
1 1249 . 16 1 1 A 106 106 PRO CA C 101 62.366 62.280 0.086 1
1 1250 . 16 1 1 A 106 106 PRO HA H 101 4.349 4.579 -0.230 1
1 1251 . 16 1 1 A 106 106 PRO CB C 101 31.609 33.343 -1.734 1
1 1259 . 16 1 1 A 106 106 PRO C C 101 176.395 176.380 0.015 1
1 1260 . 16 1 1 A 107 107 ILE N N 102 121.380 120.850 0.530 1
1 1261 . 16 1 1 A 107 107 ILE H H 102 8.350 8.434 -0.084 1
1 1262 . 16 1 1 A 107 107 ILE CA C 102 60.925 60.342 0.583 1
1 1263 . 16 1 1 A 107 107 ILE HA H 102 4.050 4.633 -0.583 1
1 1264 . 16 1 1 A 107 107 ILE CB C 102 38.165 38.877 -0.712 1
1 1277 . 16 1 1 A 107 107 ILE C C 102 175.990 176.387 -0.397 1
1 1278 . 16 1 1 A 108 108 GLU N N 103 124.836 123.240 1.596 1
1 1279 . 16 1 1 A 108 108 GLU H H 103 8.578 8.205 0.373 1
1 1280 . 16 1 1 A 108 108 GLU CA C 103 55.915 59.216 -3.301 1
1 1281 . 16 1 1 A 108 108 GLU HA H 103 4.279 3.949 0.330 1
1 1282 . 16 1 1 A 108 108 GLU CB C 103 29.902 30.298 -0.396 1
1 1288 . 16 1 1 A 108 108 GLU C C 103 175.678 176.412 -0.734 1
1 1289 . 16 1 1 A 109 109 GLU N N 104 122.847 115.365 7.482 1
1 1290 . 16 1 1 A 109 109 GLU H H 104 8.459 7.741 0.718 1
1 1291 . 16 1 1 A 109 109 GLU CA C 104 55.845 55.598 0.247 1
1 1292 . 16 1 1 A 109 109 GLU HA H 104 4.273 4.621 -0.348 1
1 1293 . 16 1 1 A 109 109 GLU CB C 104 29.990 31.914 -1.924 1
1 1299 . 16 1 1 A 109 109 GLU C C 104 174.661 175.155 -0.494 1
1 3 . 17 1 1 A 2 2 SER N N -4 115.528 120.515 -4.987 1
1 4 . 17 1 1 A 2 2 SER H H -4 8.751 8.345 0.406 1
1 5 . 17 1 1 A 2 2 SER CA C -4 57.819 59.414 -1.595 1
1 6 . 17 1 1 A 2 2 SER HA H -4 4.461 4.834 -0.373 1
1 7 . 17 1 1 A 2 2 SER CB C -4 63.389 65.755 -2.366 1
1 8 . 17 1 1 A 2 2 SER C C -4 173.924 173.872 0.052 1
1 9 . 17 1 1 A 3 3 HIS N N -3 120.998 114.813 6.185 1
1 10 . 17 1 1 A 3 3 HIS H H -3 8.769 7.915 0.854 1
1 11 . 17 1 1 A 3 3 HIS CA C -3 55.238 53.776 1.462 1
1 12 . 17 1 1 A 3 3 HIS HA H -3 4.703 5.096 -0.393 1
1 13 . 17 1 1 A 3 3 HIS CB C -3 28.916 30.681 -1.765 1
1 16 . 17 1 1 A 3 3 HIS C C -3 174.207 173.631 0.576 1
1 17 . 17 1 1 A 4 4 MET N N -2 122.227 124.656 -2.429 1
1 18 . 17 1 1 A 4 4 MET H H -2 8.518 8.966 -0.448 1
1 19 . 17 1 1 A 4 4 MET CA C -2 55.003 54.833 0.170 1
1 20 . 17 1 1 A 4 4 MET HA H -2 4.420 4.964 -0.544 1
1 21 . 17 1 1 A 4 4 MET CB C -2 32.578 33.536 -0.958 1
1 31 . 17 1 1 A 4 4 MET C C -2 175.475 175.295 0.180 1
1 49 . 17 1 1 A 7 7 ALA N N 2 124.543 122.548 1.995 1
1 50 . 17 1 1 A 7 7 ALA H H 2 8.453 8.495 -0.042 1
1 51 . 17 1 1 A 7 7 ALA CA C 2 53.203 55.328 -2.125 1
1 52 . 17 1 1 A 7 7 ALA HA H 2 4.211 4.060 0.151 1
1 56 . 17 1 1 A 7 7 ALA CB C 2 18.387 18.358 0.029 1
1 57 . 17 1 1 A 7 7 ALA C C 2 178.091 179.700 -1.609 1
1 58 . 17 1 1 A 8 8 ASP N N 3 118.618 118.325 0.293 1
1 59 . 17 1 1 A 8 8 ASP H H 3 8.064 7.869 0.195 1
1 60 . 17 1 1 A 8 8 ASP CA C 3 54.381 57.125 -2.744 1
1 61 . 17 1 1 A 8 8 ASP HA H 3 4.551 4.439 0.112 1
1 62 . 17 1 1 A 8 8 ASP CB C 3 40.446 40.708 -0.262 1
1 65 . 17 1 1 A 8 8 ASP C C 3 176.662 178.422 -1.760 1
1 66 . 17 1 1 A 9 9 LEU N N 4 123.427 120.800 2.627 1
1 67 . 17 1 1 A 9 9 LEU H H 4 8.202 7.611 0.591 1
1 68 . 17 1 1 A 9 9 LEU CA C 4 57.491 57.894 -0.403 1
1 69 . 17 1 1 A 9 9 LEU HA H 4 4.084 4.011 0.073 1
1 70 . 17 1 1 A 9 9 LEU CB C 4 41.745 41.699 0.046 1
1 80 . 17 1 1 A 9 9 LEU C C 4 178.873 178.614 0.259 1
1 81 . 17 1 1 A 10 10 VAL N N 5 119.385 119.399 -0.014 1
1 82 . 17 1 1 A 10 10 VAL H H 5 8.186 8.822 -0.636 1
1 83 . 17 1 1 A 10 10 VAL CA C 5 66.686 66.746 -0.060 1
1 84 . 17 1 1 A 10 10 VAL HA H 5 3.435 3.519 -0.084 1
1 85 . 17 1 1 A 10 10 VAL CB C 5 31.135 31.534 -0.399 1
1 95 . 17 1 1 A 10 10 VAL C C 5 177.408 178.139 -0.731 1
1 96 . 17 1 1 A 11 11 SER N N 6 115.027 115.550 -0.523 1
1 97 . 17 1 1 A 11 11 SER H H 6 8.252 8.047 0.205 1
1 98 . 17 1 1 A 11 11 SER CA C 6 61.229 61.644 -0.415 1
1 99 . 17 1 1 A 11 11 SER HA H 6 4.068 4.046 0.022 1
1 100 . 17 1 1 A 11 11 SER CB C 6 62.054 62.878 -0.824 1
1 103 . 17 1 1 A 11 11 SER C C 6 176.036 177.068 -1.032 1
1 104 . 17 1 1 A 12 12 SER N N 7 115.144 115.218 -0.074 1
1 105 . 17 1 1 A 12 12 SER H H 7 8.053 7.945 0.108 1
1 106 . 17 1 1 A 12 12 SER CA C 7 60.212 61.633 -1.421 1
1 107 . 17 1 1 A 12 12 SER HA H 7 4.309 4.111 0.198 1
1 108 . 17 1 1 A 12 12 SER CB C 7 62.720 62.866 -0.146 1
1 111 . 17 1 1 A 12 12 SER C C 7 176.540 177.259 -0.719 1
1 112 . 17 1 1 A 13 13 CYS N N 8 118.211 119.040 -0.829 1
1 113 . 17 1 1 A 13 13 CYS H H 8 7.919 8.670 -0.751 1
1 114 . 17 1 1 A 13 13 CYS CA C 8 63.729 63.947 -0.218 1
1 115 . 17 1 1 A 13 13 CYS HA H 8 4.046 4.130 -0.084 1
1 116 . 17 1 1 A 13 13 CYS CB C 8 26.703 27.105 -0.402 1
1 119 . 17 1 1 A 13 13 CYS C C 8 175.645 177.005 -1.360 1
1 120 . 17 1 1 A 14 14 LYS N N 9 120.074 121.592 -1.518 1
1 121 . 17 1 1 A 14 14 LYS H H 9 8.632 8.186 0.446 1
1 122 . 17 1 1 A 14 14 LYS CA C 9 60.438 59.679 0.759 1
1 123 . 17 1 1 A 14 14 LYS HA H 9 3.668 3.988 -0.320 1
1 124 . 17 1 1 A 14 14 LYS CB C 9 31.655 32.011 -0.356 1
1 136 . 17 1 1 A 14 14 LYS C C 9 177.590 177.787 -0.197 1
1 137 . 17 1 1 A 15 15 ASP N N 10 117.611 119.554 -1.943 1
1 138 . 17 1 1 A 15 15 ASP H H 10 7.732 8.104 -0.372 1
1 139 . 17 1 1 A 15 15 ASP CA C 10 56.325 57.359 -1.034 1
1 140 . 17 1 1 A 15 15 ASP HA H 10 4.320 4.244 0.076 1
1 141 . 17 1 1 A 15 15 ASP CB C 10 40.092 41.520 -1.428 1
1 144 . 17 1 1 A 15 15 ASP C C 10 177.731 178.708 -0.977 1
1 145 . 17 1 1 A 16 16 LYS N N 11 117.878 117.801 0.077 1
1 146 . 17 1 1 A 16 16 LYS H H 11 7.254 7.741 -0.487 1
1 147 . 17 1 1 A 16 16 LYS CA C 11 58.984 59.423 -0.439 1
1 148 . 17 1 1 A 16 16 LYS HA H 11 3.662 3.747 -0.085 1
1 149 . 17 1 1 A 16 16 LYS CB C 11 32.933 32.138 0.795 1
1 158 . 17 1 1 A 16 16 LYS C C 11 177.350 179.009 -1.659 1
1 159 . 17 1 1 A 17 17 LEU N N 12 115.652 121.539 -5.887 1
1 160 . 17 1 1 A 17 17 LEU H H 12 8.138 8.343 -0.205 1
1 161 . 17 1 1 A 17 17 LEU CA C 12 56.722 57.997 -1.275 1
1 162 . 17 1 1 A 17 17 LEU HA H 12 3.588 4.466 -0.878 1
1 163 . 17 1 1 A 17 17 LEU CB C 12 41.870 41.256 0.614 1
1 174 . 17 1 1 A 17 17 LEU C C 12 177.545 178.391 -0.846 1
1 175 . 17 1 1 A 18 18 ALA N N 13 116.045 121.056 -5.011 1
1 176 . 17 1 1 A 18 18 ALA H H 13 7.080 8.440 -1.360 1
1 177 . 17 1 1 A 18 18 ALA CA C 13 53.475 54.879 -1.404 1
1 178 . 17 1 1 A 18 18 ALA HA H 13 3.984 4.125 -0.141 1
1 182 . 17 1 1 A 18 18 ALA CB C 13 18.121 18.539 -0.418 1
1 183 . 17 1 1 A 18 18 ALA C C 13 178.298 179.537 -1.239 1
1 184 . 17 1 1 A 19 19 TYR N N 14 115.556 119.331 -3.775 1
1 185 . 17 1 1 A 19 19 TYR H H 14 7.675 7.640 0.035 1
1 186 . 17 1 1 A 19 19 TYR CA C 14 58.741 59.758 -1.017 1
1 187 . 17 1 1 A 19 19 TYR HA H 14 4.323 4.168 0.155 1
1 188 . 17 1 1 A 19 19 TYR CB C 14 38.610 39.106 -0.496 1
1 193 . 17 1 1 A 19 19 TYR C C 14 176.007 175.761 0.246 1
1 194 . 17 1 1 A 20 20 PHE N N 15 118.275 119.278 -1.003 1
1 195 . 17 1 1 A 20 20 PHE H H 15 7.406 7.735 -0.329 1
1 196 . 17 1 1 A 20 20 PHE CA C 15 56.542 56.793 -0.251 1
1 197 . 17 1 1 A 20 20 PHE HA H 15 4.652 4.835 -0.183 1
1 198 . 17 1 1 A 20 20 PHE CB C 15 38.561 40.556 -1.995 1
1 202 . 17 1 1 A 20 20 PHE C C 15 176.160 175.773 0.387 1
1 203 . 17 1 1 A 21 21 ARG N N 16 119.140 121.915 -2.775 1
1 204 . 17 1 1 A 21 21 ARG H H 16 8.714 8.827 -0.113 1
1 205 . 17 1 1 A 21 21 ARG CA C 16 54.474 55.954 -1.480 1
1 206 . 17 1 1 A 21 21 ARG HA H 16 4.747 4.427 0.320 1
1 207 . 17 1 1 A 21 21 ARG CB C 16 30.097 31.238 -1.141 1
1 223 . 17 1 1 A 21 21 ARG C C 16 177.095 177.869 -0.774 1
1 224 . 17 1 1 A 22 22 ILE N N 17 120.734 121.558 -0.824 1
1 225 . 17 1 1 A 22 22 ILE H H 17 8.708 8.838 -0.130 1
1 226 . 17 1 1 A 22 22 ILE CA C 17 65.114 64.616 0.498 1
1 227 . 17 1 1 A 22 22 ILE HA H 17 3.740 3.740 0.000 1
1 228 . 17 1 1 A 22 22 ILE CB C 17 36.768 37.283 -0.515 1
1 241 . 17 1 1 A 22 22 ILE C C 17 176.639 177.864 -1.225 1
1 242 . 17 1 1 A 23 23 LYS N N 18 118.184 121.270 -3.086 1
1 243 . 17 1 1 A 23 23 LYS H H 18 8.267 8.151 0.116 1
1 244 . 17 1 1 A 23 23 LYS CA C 18 59.978 60.427 -0.449 1
1 245 . 17 1 1 A 23 23 LYS HA H 18 3.909 3.834 0.075 1
1 246 . 17 1 1 A 23 23 LYS CB C 18 32.191 32.190 0.001 1
1 258 . 17 1 1 A 23 23 LYS C C 18 178.185 179.076 -0.891 1
1 259 . 17 1 1 A 24 24 GLU N N 19 117.651 120.209 -2.558 1
1 260 . 17 1 1 A 24 24 GLU H H 19 7.198 7.646 -0.448 1
1 261 . 17 1 1 A 24 24 GLU CA C 19 60.601 58.992 1.609 1
1 262 . 17 1 1 A 24 24 GLU HA H 19 4.056 3.966 0.090 1
1 263 . 17 1 1 A 24 24 GLU CB C 19 28.859 29.413 -0.554 1
1 269 . 17 1 1 A 24 24 GLU C C 19 178.542 178.879 -0.337 1
1 270 . 17 1 1 A 25 25 LEU N N 20 119.236 120.352 -1.116 1
1 271 . 17 1 1 A 25 25 LEU H H 20 7.980 7.691 0.289 1
1 272 . 17 1 1 A 25 25 LEU CA C 20 57.812 57.675 0.137 1
1 273 . 17 1 1 A 25 25 LEU HA H 20 3.947 3.944 0.003 1
1 274 . 17 1 1 A 25 25 LEU CB C 20 42.172 41.760 0.412 1
1 281 . 17 1 1 A 25 25 LEU C C 20 178.081 179.117 -1.036 1
1 282 . 17 1 1 A 26 26 LYS N N 21 117.457 119.483 -2.026 1
1 283 . 17 1 1 A 26 26 LYS H H 21 8.770 8.731 0.039 1
1 284 . 17 1 1 A 26 26 LYS CA C 21 60.741 59.737 1.004 1
1 285 . 17 1 1 A 26 26 LYS HA H 21 3.806 3.873 -0.067 1
1 286 . 17 1 1 A 26 26 LYS CB C 21 31.876 32.044 -0.168 1
1 287 . 17 1 1 A 26 26 LYS C C 21 177.659 178.248 -0.589 1
1 288 . 17 1 1 A 27 27 ASP N N 22 119.023 119.654 -0.631 1
1 289 . 17 1 1 A 27 27 ASP H H 22 7.671 8.044 -0.373 1
1 290 . 17 1 1 A 27 27 ASP CA C 22 56.971 57.275 -0.304 1
1 291 . 17 1 1 A 27 27 ASP HA H 22 4.409 4.257 0.152 1
1 292 . 17 1 1 A 27 27 ASP CB C 22 40.196 40.740 -0.544 1
1 295 . 17 1 1 A 27 27 ASP C C 22 180.796 179.123 1.673 1
1 296 . 17 1 1 A 28 28 ILE N N 23 119.318 119.470 -0.152 1
1 297 . 17 1 1 A 28 28 ILE H H 23 8.039 7.701 0.338 1
1 298 . 17 1 1 A 28 28 ILE CA C 23 65.328 64.427 0.901 1
1 299 . 17 1 1 A 28 28 ILE HA H 23 3.601 3.712 -0.111 1
1 300 . 17 1 1 A 28 28 ILE CB C 23 37.309 37.228 0.081 1
1 313 . 17 1 1 A 28 28 ILE C C 23 177.251 178.839 -1.588 1
1 314 . 17 1 1 A 29 29 LEU N N 24 120.356 121.009 -0.653 1
1 315 . 17 1 1 A 29 29 LEU H H 24 8.220 8.168 0.052 1
1 316 . 17 1 1 A 29 29 LEU CA C 24 58.535 58.192 0.343 1
1 317 . 17 1 1 A 29 29 LEU HA H 24 3.824 3.807 0.017 1
1 318 . 17 1 1 A 29 29 LEU CB C 24 39.478 41.691 -2.213 1
1 326 . 17 1 1 A 29 29 LEU C C 24 178.599 178.690 -0.091 1
1 327 . 17 1 1 A 30 30 ASN N N 25 117.446 115.333 2.113 1
1 328 . 17 1 1 A 30 30 ASN H H 25 8.687 9.051 -0.364 1
1 329 . 17 1 1 A 30 30 ASN CA C 25 56.241 55.952 0.289 1
1 330 . 17 1 1 A 30 30 ASN HA H 25 4.520 4.382 0.138 1
1 331 . 17 1 1 A 30 30 ASN CB C 25 38.899 37.808 1.091 1
1 338 . 17 1 1 A 30 30 ASN C C 25 178.958 177.060 1.898 1
1 339 . 17 1 1 A 31 31 GLN N N 26 119.946 118.936 1.010 1
1 340 . 17 1 1 A 31 31 GLN H H 26 8.184 7.653 0.531 1
1 341 . 17 1 1 A 31 31 GLN CA C 26 58.779 58.030 0.749 1
1 342 . 17 1 1 A 31 31 GLN HA H 26 4.055 4.195 -0.140 1
1 343 . 17 1 1 A 31 31 GLN CB C 26 29.109 28.455 0.654 1
1 353 . 17 1 1 A 31 31 GLN C C 26 177.586 177.281 0.305 1
1 354 . 17 1 1 A 32 32 LEU N N 27 116.979 117.945 -0.966 1
1 355 . 17 1 1 A 32 32 LEU H H 27 7.893 7.543 0.350 1
1 356 . 17 1 1 A 32 32 LEU CA C 27 54.393 55.936 -1.543 1
1 357 . 17 1 1 A 32 32 LEU HA H 27 4.240 4.281 -0.041 1
1 358 . 17 1 1 A 32 32 LEU CB C 27 42.566 42.784 -0.218 1
1 369 . 17 1 1 A 32 32 LEU C C 27 175.693 177.379 -1.686 1
1 370 . 17 1 1 A 33 33 GLY N N 28 108.299 107.288 1.011 1
1 371 . 17 1 1 A 33 33 GLY H H 28 7.834 8.510 -0.676 1
1 372 . 17 1 1 A 33 33 GLY CA C 28 45.707 46.435 -0.728 1
1 373 . 17 1 1 A 33 33 GLY HA2 H 28 3.952 3.973 -0.021 1
1 374 . 17 1 1 A 33 33 GLY HA3 H 28 3.952 3.974 -0.022 1
1 375 . 17 1 1 A 33 33 GLY C C 28 174.317 174.334 -0.017 1
1 376 . 17 1 1 A 34 34 LEU N N 29 120.833 121.781 -0.948 1
1 377 . 17 1 1 A 34 34 LEU H H 29 7.986 7.412 0.574 1
1 378 . 17 1 1 A 34 34 LEU CA C 29 51.600 51.807 -0.207 1
1 379 . 17 1 1 A 34 34 LEU HA H 29 4.760 4.751 0.009 1
1 380 . 17 1 1 A 34 34 LEU CB C 29 43.531 42.923 0.608 1
1 392 . 17 1 1 A 35 35 PRO CA C 30 62.741 62.435 0.306 1
1 393 . 17 1 1 A 35 35 PRO HA H 30 4.365 4.640 -0.275 1
1 394 . 17 1 1 A 35 35 PRO CB C 30 31.856 29.589 2.267 1
1 402 . 17 1 1 A 35 35 PRO C C 30 177.334 175.523 1.811 1
1 403 . 17 1 1 A 36 36 LYS N N 31 117.589 124.124 -6.535 1
1 404 . 17 1 1 A 36 36 LYS H H 31 8.380 8.249 0.131 1
1 405 . 17 1 1 A 36 36 LYS CA C 31 55.569 55.617 -0.048 1
1 406 . 17 1 1 A 36 36 LYS HA H 31 4.288 4.501 -0.213 1
1 407 . 17 1 1 A 36 36 LYS CB C 31 33.225 32.488 0.737 1
1 417 . 17 1 1 A 36 36 LYS C C 31 174.406 174.534 -0.128 1
1 418 . 17 1 1 A 37 37 GLN N N 32 118.260 118.643 -0.383 1
1 419 . 17 1 1 A 37 37 GLN H H 32 7.698 8.217 -0.519 1
1 420 . 17 1 1 A 37 37 GLN CA C 32 55.716 54.269 1.447 1
1 421 . 17 1 1 A 37 37 GLN HA H 32 4.392 4.851 -0.459 1
1 422 . 17 1 1 A 37 37 GLN CB C 32 28.251 30.907 -2.656 1
1 432 . 17 1 1 A 37 37 GLN C C 32 175.122 174.950 0.172 1
1 433 . 17 1 1 A 38 38 GLY N N 33 109.855 106.696 3.159 1
1 434 . 17 1 1 A 38 38 GLY H H 33 8.449 8.371 0.078 1
1 435 . 17 1 1 A 38 38 GLY CA C 33 43.315 46.130 -2.815 1
1 436 . 17 1 1 A 38 38 GLY HA2 H 33 4.600 4.188 0.412 1
1 437 . 17 1 1 A 38 38 GLY HA3 H 33 3.803 4.189 -0.386 1
1 438 . 17 1 1 A 38 38 GLY C C 33 173.537 172.654 0.883 1
1 439 . 17 1 1 A 39 39 LYS N N 34 117.627 120.325 -2.698 1
1 440 . 17 1 1 A 39 39 LYS H H 34 8.649 8.256 0.393 1
1 441 . 17 1 1 A 39 39 LYS CA C 34 54.916 54.490 0.426 1
1 442 . 17 1 1 A 39 39 LYS HA H 34 4.395 4.677 -0.282 1
1 443 . 17 1 1 A 39 39 LYS CB C 34 32.893 33.456 -0.563 1
1 455 . 17 1 1 A 39 39 LYS C C 34 176.803 177.894 -1.091 1
1 456 . 17 1 1 A 40 40 LYS N N 35 121.705 119.407 2.298 1
1 457 . 17 1 1 A 40 40 LYS H H 35 8.920 8.683 0.237 1
1 458 . 17 1 1 A 40 40 LYS CA C 35 61.574 59.265 2.309 1
1 459 . 17 1 1 A 40 40 LYS HA H 35 3.599 3.974 -0.375 1
1 460 . 17 1 1 A 40 40 LYS CB C 35 31.924 32.267 -0.343 1
1 472 . 17 1 1 A 40 40 LYS C C 35 177.366 178.268 -0.902 1
1 473 . 17 1 1 A 41 41 GLN N N 36 114.634 118.439 -3.805 1
1 474 . 17 1 1 A 41 41 GLN H H 36 9.017 7.912 1.105 1
1 475 . 17 1 1 A 41 41 GLN CA C 36 57.636 58.588 -0.952 1
1 476 . 17 1 1 A 41 41 GLN HA H 36 3.731 4.040 -0.309 1
1 477 . 17 1 1 A 41 41 GLN CB C 36 27.865 28.342 -0.477 1
1 487 . 17 1 1 A 41 41 GLN C C 36 176.872 178.660 -1.788 1
1 488 . 17 1 1 A 42 42 ASP N N 37 115.980 120.263 -4.283 1
1 489 . 17 1 1 A 42 42 ASP H H 37 7.047 7.901 -0.854 1
1 490 . 17 1 1 A 42 42 ASP CA C 37 56.593 57.364 -0.771 1
1 491 . 17 1 1 A 42 42 ASP HA H 37 4.297 4.407 -0.110 1
1 492 . 17 1 1 A 42 42 ASP CB C 37 39.839 40.996 -1.157 1
1 495 . 17 1 1 A 42 42 ASP C C 37 178.454 178.869 -0.415 1
1 496 . 17 1 1 A 43 43 LEU N N 38 119.074 120.412 -1.338 1
1 497 . 17 1 1 A 43 43 LEU H H 38 7.725 8.114 -0.389 1
1 498 . 17 1 1 A 43 43 LEU CA C 38 57.713 58.087 -0.374 1
1 499 . 17 1 1 A 43 43 LEU HA H 38 3.787 3.998 -0.211 1
1 500 . 17 1 1 A 43 43 LEU CB C 38 40.214 42.121 -1.907 1
1 513 . 17 1 1 A 43 43 LEU C C 38 177.872 178.999 -1.127 1
1 514 . 17 1 1 A 44 44 ILE N N 39 118.343 118.281 0.062 1
1 515 . 17 1 1 A 44 44 ILE H H 39 7.867 8.088 -0.221 1
1 516 . 17 1 1 A 44 44 ILE CA C 39 66.090 65.397 0.693 1
1 517 . 17 1 1 A 44 44 ILE HA H 39 3.321 3.521 -0.200 1
1 518 . 17 1 1 A 44 44 ILE CB C 39 38.013 37.687 0.326 1
1 528 . 17 1 1 A 44 44 ILE C C 39 177.711 177.714 -0.003 1
1 529 . 17 1 1 A 45 45 ASP N N 40 118.533 120.474 -1.941 1
1 530 . 17 1 1 A 45 45 ASP H H 40 8.503 8.357 0.146 1
1 531 . 17 1 1 A 45 45 ASP CA C 40 57.009 57.022 -0.013 1
1 532 . 17 1 1 A 45 45 ASP HA H 40 4.272 4.417 -0.145 1
1 533 . 17 1 1 A 45 45 ASP CB C 40 39.419 41.383 -1.964 1
1 536 . 17 1 1 A 45 45 ASP C C 40 178.392 178.760 -0.368 1
1 537 . 17 1 1 A 46 46 ARG N N 41 120.911 119.349 1.562 1
1 538 . 17 1 1 A 46 46 ARG H H 41 7.717 7.922 -0.205 1
1 539 . 17 1 1 A 46 46 ARG CA C 41 59.048 59.693 -0.645 1
1 540 . 17 1 1 A 46 46 ARG HA H 41 3.991 4.046 -0.055 1
1 541 . 17 1 1 A 46 46 ARG CB C 41 29.817 30.291 -0.474 1
1 550 . 17 1 1 A 46 46 ARG C C 41 177.537 178.552 -1.015 1
1 551 . 17 1 1 A 47 47 VAL N N 42 117.438 119.156 -1.718 1
1 552 . 17 1 1 A 47 47 VAL H H 42 7.445 7.902 -0.457 1
1 553 . 17 1 1 A 47 47 VAL CA C 42 65.881 66.392 -0.511 1
1 554 . 17 1 1 A 47 47 VAL HA H 42 3.442 3.653 -0.211 1
1 555 . 17 1 1 A 47 47 VAL CB C 42 30.931 31.724 -0.793 1
1 565 . 17 1 1 A 47 47 VAL C C 42 177.671 178.150 -0.479 1
1 566 . 17 1 1 A 48 48 LEU N N 43 117.085 117.583 -0.498 1
1 567 . 17 1 1 A 48 48 LEU H H 43 8.466 8.080 0.386 1
1 568 . 17 1 1 A 48 48 LEU CA C 43 57.248 57.746 -0.498 1
1 569 . 17 1 1 A 48 48 LEU HA H 43 3.847 3.989 -0.142 1
1 570 . 17 1 1 A 48 48 LEU CB C 43 40.720 41.128 -0.408 1
1 583 . 17 1 1 A 48 48 LEU C C 43 179.581 179.731 -0.150 1
1 584 . 17 1 1 A 49 49 ALA N N 44 120.479 121.889 -1.410 1
1 585 . 17 1 1 A 49 49 ALA H H 44 7.953 8.040 -0.087 1
1 586 . 17 1 1 A 49 49 ALA CA C 44 53.997 55.004 -1.007 1
1 587 . 17 1 1 A 49 49 ALA HA H 44 4.123 4.040 0.083 1
1 591 . 17 1 1 A 49 49 ALA CB C 44 17.631 18.386 -0.755 1
1 592 . 17 1 1 A 49 49 ALA C C 44 178.926 179.182 -0.256 1
1 593 . 17 1 1 A 50 50 LEU N N 45 115.306 120.189 -4.883 1
1 594 . 17 1 1 A 50 50 LEU H H 45 7.428 7.659 -0.231 1
1 595 . 17 1 1 A 50 50 LEU CA C 45 55.652 57.581 -1.929 1
1 596 . 17 1 1 A 50 50 LEU HA H 45 4.219 4.099 0.120 1
1 597 . 17 1 1 A 50 50 LEU CB C 45 41.846 41.845 0.001 1
1 610 . 17 1 1 A 50 50 LEU C C 45 177.840 178.749 -0.909 1
1 611 . 17 1 1 A 51 51 LEU N N 46 115.880 118.642 -2.762 1
1 612 . 17 1 1 A 51 51 LEU H H 46 7.642 8.001 -0.359 1
1 613 . 17 1 1 A 51 51 LEU CA C 46 54.693 56.496 -1.803 1
1 614 . 17 1 1 A 51 51 LEU HA H 46 4.265 4.154 0.111 1
1 615 . 17 1 1 A 51 51 LEU CB C 46 42.040 41.848 0.192 1
1 625 . 17 1 1 A 51 51 LEU C C 46 176.015 177.665 -1.650 1
1 626 . 17 1 1 A 52 52 THR N N 47 109.201 112.859 -3.658 1
1 627 . 17 1 1 A 52 52 THR H H 47 7.516 7.545 -0.029 1
1 628 . 17 1 1 A 52 52 THR CA C 47 60.834 64.656 -3.822 1
1 629 . 17 1 1 A 52 52 THR HA H 47 4.348 4.285 0.063 1
1 630 . 17 1 1 A 52 52 THR CB C 47 69.704 69.327 0.377 1
1 636 . 17 1 1 A 52 52 THR C C 47 173.733 175.525 -1.792 1
1 637 . 17 1 1 A 53 53 ASP N N 48 122.188 119.304 2.884 1
1 638 . 17 1 1 A 53 53 ASP H H 48 8.280 8.256 0.024 1
1 639 . 17 1 1 A 53 53 ASP CA C 48 54.185 56.552 -2.367 1
1 640 . 17 1 1 A 53 53 ASP HA H 48 4.699 4.436 0.263 1
1 641 . 17 1 1 A 53 53 ASP CB C 48 40.749 40.408 0.341 1
1 645 . 17 1 1 A 53 53 ASP C C 48 176.000 176.698 -0.698 1
1 646 . 17 1 1 A 54 54 GLU N N 49 121.966 118.535 3.431 1
1 647 . 17 1 1 A 54 54 GLU H H 49 8.588 7.714 0.874 1
1 648 . 17 1 1 A 54 54 GLU CA C 49 56.604 55.502 1.102 1
1 649 . 17 1 1 A 54 54 GLU HA H 49 4.229 4.646 -0.417 1
1 650 . 17 1 1 A 54 54 GLU CB C 49 29.642 30.805 -1.163 1
1 656 . 17 1 1 A 54 54 GLU C C 49 176.589 176.725 -0.136 1
1 657 . 17 1 1 A 55 55 GLN N N 50 120.727 118.817 1.910 1
1 658 . 17 1 1 A 55 55 GLN H H 50 8.642 7.484 1.158 1
1 659 . 17 1 1 A 55 55 GLN CA C 50 56.165 55.396 0.769 1
1 660 . 17 1 1 A 55 55 GLN HA H 50 4.226 4.166 0.060 1
1 661 . 17 1 1 A 55 55 GLN CB C 50 28.555 29.073 -0.518 1
1 671 . 17 1 1 A 55 55 GLN C C 50 176.554 176.763 -0.209 1
1 672 . 17 1 1 A 56 56 GLY N N 51 109.357 108.737 0.620 1
1 673 . 17 1 1 A 56 56 GLY H H 51 8.519 7.799 0.720 1
1 674 . 17 1 1 A 56 56 GLY CA C 51 45.276 46.620 -1.344 1
1 675 . 17 1 1 A 56 56 GLY HA2 H 51 3.951 3.794 0.157 1
1 676 . 17 1 1 A 56 56 GLY HA3 H 51 3.815 3.800 0.015 1
1 677 . 17 1 1 A 56 56 GLY C C 51 174.146 175.054 -0.908 1
1 678 . 17 1 1 A 57 57 GLN N N 52 119.207 118.190 1.017 1
1 679 . 17 1 1 A 57 57 GLN H H 52 8.263 8.230 0.033 1
1 680 . 17 1 1 A 57 57 GLN CA C 52 55.650 58.602 -2.952 1
1 681 . 17 1 1 A 57 57 GLN HA H 52 4.217 4.048 0.169 1
1 682 . 17 1 1 A 57 57 GLN CB C 52 28.723 28.829 -0.106 1
1 692 . 17 1 1 A 57 57 GLN C C 52 175.872 177.001 -1.129 1
1 693 . 17 1 1 A 58 58 ARG N N 53 120.525 115.422 5.103 1
1 694 . 17 1 1 A 58 58 ARG H H 53 8.279 7.879 0.400 1
1 695 . 17 1 1 A 58 58 ARG CA C 53 55.854 55.188 0.666 1
1 696 . 17 1 1 A 58 58 ARG HA H 53 4.204 4.508 -0.304 1
1 697 . 17 1 1 A 58 58 ARG CB C 53 29.944 30.105 -0.161 1
1 708 . 17 1 1 A 58 58 ARG C C 53 175.819 175.248 0.571 1
1 709 . 17 1 1 A 59 59 HIS N N 54 118.905 119.079 -0.174 1
1 710 . 17 1 1 A 59 59 HIS H H 54 8.397 8.212 0.185 1
1 711 . 17 1 1 A 59 59 HIS CA C 54 55.130 54.436 0.694 1
1 712 . 17 1 1 A 59 59 HIS HA H 54 4.554 4.766 -0.212 1
1 713 . 17 1 1 A 59 59 HIS CB C 54 28.953 29.944 -0.991 1
1 716 . 17 1 1 A 59 59 HIS C C 54 174.248 174.233 0.015 1
1 717 . 17 1 1 A 60 60 HIS N N 55 119.527 122.124 -2.597 1
1 718 . 17 1 1 A 60 60 HIS H H 55 8.493 8.897 -0.404 1
1 719 . 17 1 1 A 60 60 HIS CA C 55 55.589 55.989 -0.400 1
1 720 . 17 1 1 A 60 60 HIS HA H 55 4.553 3.957 0.596 1
1 721 . 17 1 1 A 60 60 HIS CB C 55 28.913 29.213 -0.300 1
1 724 . 17 1 1 A 60 60 HIS C C 55 174.759 174.643 0.116 1
1 725 . 17 1 1 A 61 61 GLY N N 56 110.215 107.177 3.038 1
1 726 . 17 1 1 A 61 61 GLY H H 56 8.604 7.797 0.807 1
1 727 . 17 1 1 A 61 61 GLY CA C 56 44.977 45.028 -0.051 1
1 728 . 17 1 1 A 61 61 GLY HA2 H 56 3.958 3.779 0.179 1
1 729 . 17 1 1 A 61 61 GLY HA3 H 56 3.833 3.872 -0.039 1
1 730 . 17 1 1 A 61 61 GLY C C 56 173.752 174.578 -0.826 1
1 731 . 17 1 1 A 62 62 TRP N N 57 120.700 118.078 2.622 1
1 732 . 17 1 1 A 62 62 TRP H H 57 8.175 7.160 1.015 1
1 733 . 17 1 1 A 62 62 TRP CA C 57 56.935 58.030 -1.095 1
1 734 . 17 1 1 A 62 62 TRP HA H 57 4.658 4.771 -0.113 1
1 735 . 17 1 1 A 62 62 TRP CB C 57 29.018 30.718 -1.700 1
1 750 . 17 1 1 A 62 62 TRP C C 57 176.442 177.100 -0.658 1
1 751 . 17 1 1 A 63 63 GLY N N 58 110.195 108.504 1.691 1
1 752 . 17 1 1 A 63 63 GLY H H 58 8.452 8.558 -0.106 1
1 753 . 17 1 1 A 63 63 GLY CA C 58 45.052 46.903 -1.851 1
1 754 . 17 1 1 A 63 63 GLY HA2 H 58 3.925 3.980 -0.055 1
1 755 . 17 1 1 A 63 63 GLY HA3 H 58 3.833 4.078 -0.245 1
1 756 . 17 1 1 A 63 63 GLY C C 58 173.738 174.441 -0.703 1
1 757 . 17 1 1 A 64 64 ARG N N 59 120.374 119.061 1.313 1
1 758 . 17 1 1 A 64 64 ARG H H 59 8.136 8.487 -0.351 1
1 759 . 17 1 1 A 64 64 ARG CA C 59 55.779 57.063 -1.284 1
1 760 . 17 1 1 A 64 64 ARG HA H 59 4.287 4.167 0.120 1
1 761 . 17 1 1 A 64 64 ARG CB C 59 30.244 28.142 2.102 1
1 772 . 17 1 1 A 64 64 ARG C C 59 176.269 176.374 -0.105 1
1 773 . 17 1 1 A 65 65 LYS N N 60 121.590 118.956 2.634 1
1 774 . 17 1 1 A 65 65 LYS H H 60 8.483 8.621 -0.138 1
1 775 . 17 1 1 A 65 65 LYS CA C 60 56.435 57.140 -0.705 1
1 776 . 17 1 1 A 65 65 LYS HA H 60 4.226 4.013 0.213 1
1 777 . 17 1 1 A 65 65 LYS CB C 60 32.259 30.854 1.405 1
1 783 . 17 1 1 A 65 65 LYS C C 60 176.075 176.668 -0.593 1
1 784 . 17 1 1 A 66 66 ASN N N 61 118.654 120.068 -1.414 1
1 785 . 17 1 1 A 66 66 ASN H H 61 8.413 8.547 -0.134 1
1 786 . 17 1 1 A 66 66 ASN CA C 61 53.042 52.901 0.141 1
1 787 . 17 1 1 A 66 66 ASN HA H 61 4.651 4.842 -0.191 1
1 788 . 17 1 1 A 66 66 ASN CB C 61 38.348 38.546 -0.198 1
1 795 . 17 1 1 A 66 66 ASN C C 61 174.530 174.854 -0.324 1
1 796 . 17 1 1 A 67 67 SER N N 62 115.494 112.659 2.835 1
1 797 . 17 1 1 A 67 67 SER H H 62 8.289 8.071 0.218 1
1 798 . 17 1 1 A 67 67 SER CA C 62 58.090 59.685 -1.595 1
1 799 . 17 1 1 A 67 67 SER HA H 62 4.294 4.143 0.151 1
1 800 . 17 1 1 A 67 67 SER CB C 62 63.205 62.452 0.753 1
1 803 . 17 1 1 A 67 67 SER C C 62 173.894 175.126 -1.232 1
1 804 . 17 1 1 A 68 68 LEU N N 63 123.552 117.296 6.256 1
1 805 . 17 1 1 A 68 68 LEU H H 63 8.063 7.910 0.153 1
1 806 . 17 1 1 A 68 68 LEU CA C 63 54.124 53.909 0.215 1
1 807 . 17 1 1 A 68 68 LEU HA H 63 4.495 4.648 -0.153 1
1 808 . 17 1 1 A 68 68 LEU CB C 63 42.447 42.636 -0.189 1
1 821 . 17 1 1 A 68 68 LEU C C 63 176.587 175.594 0.993 1
1 822 . 17 1 1 A 69 69 THR N N 64 112.637 110.358 2.279 1
1 823 . 17 1 1 A 69 69 THR H H 64 7.797 7.419 0.378 1
1 824 . 17 1 1 A 69 69 THR CA C 64 60.021 59.188 0.833 1
1 825 . 17 1 1 A 69 69 THR HA H 64 4.490 4.833 -0.343 1
1 826 . 17 1 1 A 69 69 THR CB C 64 70.896 72.375 -1.479 1
1 832 . 17 1 1 A 69 69 THR C C 64 174.998 174.927 0.071 1
1 833 . 17 1 1 A 70 70 LYS N N 65 120.128 120.417 -0.289 1
1 834 . 17 1 1 A 70 70 LYS H H 65 9.059 8.868 0.191 1
1 835 . 17 1 1 A 70 70 LYS CA C 65 59.374 59.079 0.295 1
1 836 . 17 1 1 A 70 70 LYS HA H 65 3.941 3.988 -0.047 1
1 837 . 17 1 1 A 70 70 LYS CB C 65 31.830 31.879 -0.049 1
1 843 . 17 1 1 A 70 70 LYS C C 65 177.539 178.439 -0.900 1
1 844 . 17 1 1 A 71 71 GLU N N 66 117.667 119.586 -1.919 1
1 845 . 17 1 1 A 71 71 GLU H H 66 8.699 8.649 0.050 1
1 846 . 17 1 1 A 71 71 GLU CA C 66 60.307 59.228 1.079 1
1 847 . 17 1 1 A 71 71 GLU HA H 66 3.812 4.031 -0.219 1
1 848 . 17 1 1 A 71 71 GLU CB C 66 27.903 29.649 -1.746 1
1 855 . 17 1 1 A 71 71 GLU C C 66 178.499 179.297 -0.798 1
1 856 . 17 1 1 A 72 72 ALA N N 67 123.914 122.793 1.121 1
1 857 . 17 1 1 A 72 72 ALA H H 67 7.991 7.656 0.335 1
1 858 . 17 1 1 A 72 72 ALA CA C 67 54.601 54.803 -0.202 1
1 859 . 17 1 1 A 72 72 ALA HA H 67 4.116 4.061 0.055 1
1 863 . 17 1 1 A 72 72 ALA CB C 67 18.288 18.807 -0.519 1
1 864 . 17 1 1 A 72 72 ALA C C 67 178.721 179.528 -0.807 1
1 865 . 17 1 1 A 73 73 VAL N N 68 119.435 118.311 1.124 1
1 866 . 17 1 1 A 73 73 VAL H H 68 8.045 7.926 0.119 1
1 867 . 17 1 1 A 73 73 VAL CA C 68 66.211 66.555 -0.344 1
1 868 . 17 1 1 A 73 73 VAL HA H 68 3.470 3.542 -0.072 1
1 869 . 17 1 1 A 73 73 VAL CB C 68 31.103 31.585 -0.482 1
1 879 . 17 1 1 A 73 73 VAL C C 68 177.001 178.372 -1.371 1
1 880 . 17 1 1 A 74 74 ALA N N 69 120.667 121.364 -0.697 1
1 881 . 17 1 1 A 74 74 ALA H H 69 8.407 8.056 0.351 1
1 882 . 17 1 1 A 74 74 ALA CA C 69 54.687 55.036 -0.349 1
1 883 . 17 1 1 A 74 74 ALA HA H 69 3.981 4.113 -0.132 1
1 887 . 17 1 1 A 74 74 ALA CB C 69 18.048 18.206 -0.158 1
1 888 . 17 1 1 A 74 74 ALA C C 69 178.865 179.782 -0.917 1
1 889 . 17 1 1 A 75 75 LYS N N 70 118.628 118.162 0.466 1
1 890 . 17 1 1 A 75 75 LYS H H 70 7.930 7.888 0.042 1
1 891 . 17 1 1 A 75 75 LYS CA C 70 58.914 59.783 -0.869 1
1 892 . 17 1 1 A 75 75 LYS HA H 70 4.105 4.045 0.060 1
1 893 . 17 1 1 A 75 75 LYS CB C 70 31.806 32.321 -0.515 1
1 903 . 17 1 1 A 75 75 LYS C C 70 177.409 179.103 -1.694 1
1 904 . 17 1 1 A 76 76 ILE N N 71 120.231 119.837 0.394 1
1 905 . 17 1 1 A 76 76 ILE H H 71 7.478 7.811 -0.333 1
1 906 . 17 1 1 A 76 76 ILE CA C 71 64.835 64.687 0.148 1
1 907 . 17 1 1 A 76 76 ILE HA H 71 3.973 3.745 0.228 1
1 908 . 17 1 1 A 76 76 ILE CB C 71 37.788 37.331 0.457 1
1 921 . 17 1 1 A 76 76 ILE C C 71 179.734 178.307 1.427 1
1 922 . 17 1 1 A 77 77 VAL N N 72 122.505 119.885 2.620 1
1 923 . 17 1 1 A 77 77 VAL H H 72 8.325 7.975 0.350 1
1 924 . 17 1 1 A 77 77 VAL CA C 72 67.425 66.693 0.732 1
1 925 . 17 1 1 A 77 77 VAL HA H 72 3.581 3.516 0.065 1
1 926 . 17 1 1 A 77 77 VAL CB C 72 30.885 31.453 -0.568 1
1 936 . 17 1 1 A 77 77 VAL C C 72 176.939 178.180 -1.241 1
1 937 . 17 1 1 A 78 78 ASP N N 73 120.524 120.437 0.087 1
1 938 . 17 1 1 A 78 78 ASP H H 73 8.798 8.281 0.517 1
1 939 . 17 1 1 A 78 78 ASP CA C 73 58.163 57.610 0.553 1
1 940 . 17 1 1 A 78 78 ASP HA H 73 4.392 4.465 -0.073 1
1 941 . 17 1 1 A 78 78 ASP CB C 73 41.459 41.441 0.018 1
1 945 . 17 1 1 A 78 78 ASP C C 73 178.122 178.486 -0.364 1
1 946 . 17 1 1 A 79 79 ASP N N 74 119.762 119.708 0.054 1
1 947 . 17 1 1 A 79 79 ASP H H 74 9.318 8.184 1.134 1
1 948 . 17 1 1 A 79 79 ASP CA C 74 57.122 57.316 -0.194 1
1 949 . 17 1 1 A 79 79 ASP HA H 74 4.405 4.359 0.046 1
1 950 . 17 1 1 A 79 79 ASP CB C 74 39.850 40.774 -0.924 1
1 954 . 17 1 1 A 79 79 ASP C C 74 178.921 178.656 0.265 1
1 955 . 17 1 1 A 80 80 THR N N 75 117.347 116.917 0.430 1
1 956 . 17 1 1 A 80 80 THR H H 75 8.084 8.545 -0.461 1
1 957 . 17 1 1 A 80 80 THR CA C 75 67.055 66.671 0.384 1
1 958 . 17 1 1 A 80 80 THR HA H 75 3.846 3.974 -0.128 1
1 959 . 17 1 1 A 80 80 THR CB C 75 67.692 68.171 -0.479 1
1 965 . 17 1 1 A 80 80 THR C C 75 175.367 176.064 -0.697 1
1 966 . 17 1 1 A 81 81 TYR N N 76 123.735 121.393 2.342 1
1 967 . 17 1 1 A 81 81 TYR H H 76 8.830 8.314 0.516 1
1 968 . 17 1 1 A 81 81 TYR CA C 76 61.712 61.978 -0.266 1
1 969 . 17 1 1 A 81 81 TYR HA H 76 4.269 4.422 -0.153 1
1 970 . 17 1 1 A 81 81 TYR CB C 76 38.639 38.819 -0.180 1
1 974 . 17 1 1 A 81 81 TYR C C 76 176.700 177.415 -0.715 1
1 975 . 17 1 1 A 82 82 ARG N N 77 118.508 119.860 -1.352 1
1 976 . 17 1 1 A 82 82 ARG H H 77 8.755 8.830 -0.075 1
1 977 . 17 1 1 A 82 82 ARG CA C 77 58.776 58.771 0.005 1
1 978 . 17 1 1 A 82 82 ARG HA H 77 3.892 4.016 -0.124 1
1 979 . 17 1 1 A 82 82 ARG CB C 77 29.459 30.307 -0.848 1
1 995 . 17 1 1 A 82 82 ARG C C 77 178.748 177.880 0.868 1
1 996 . 17 1 1 A 83 83 LYS N N 78 118.075 118.585 -0.510 1
1 997 . 17 1 1 A 83 83 LYS H H 78 7.696 8.058 -0.362 1
1 998 . 17 1 1 A 83 83 LYS CA C 78 58.614 58.722 -0.108 1
1 999 . 17 1 1 A 83 83 LYS HA H 78 4.031 4.151 -0.120 1
1 1000 . 17 1 1 A 83 83 LYS CB C 78 32.055 32.003 0.052 1
1 1005 . 17 1 1 A 83 83 LYS C C 78 177.890 179.203 -1.313 1
1 1006 . 17 1 1 A 84 84 MET N N 79 118.233 119.266 -1.033 1
1 1007 . 17 1 1 A 84 84 MET H H 79 7.748 8.143 -0.395 1
1 1008 . 17 1 1 A 84 84 MET CA C 79 57.254 58.735 -1.481 1
1 1009 . 17 1 1 A 84 84 MET HA H 79 4.189 4.208 -0.019 1
1 1010 . 17 1 1 A 84 84 MET CB C 79 32.169 33.519 -1.350 1
1 1020 . 17 1 1 A 84 84 MET C C 79 177.036 177.418 -0.382 1
1 1021 . 17 1 1 A 85 85 GLN N N 80 117.242 113.535 3.707 1
1 1022 . 17 1 1 A 85 85 GLN H H 80 7.843 7.301 0.542 1
1 1023 . 17 1 1 A 85 85 GLN CA C 80 56.500 54.667 1.833 1
1 1024 . 17 1 1 A 85 85 GLN HA H 80 3.993 4.475 -0.482 1
1 1025 . 17 1 1 A 85 85 GLN CB C 80 28.124 29.556 -1.432 1
1 1035 . 17 1 1 A 85 85 GLN C C 80 176.756 175.384 1.372 1
1 1036 . 17 1 1 A 86 86 ILE N N 81 119.178 116.331 2.847 1
1 1037 . 17 1 1 A 86 86 ILE H H 81 7.715 7.714 0.001 1
1 1038 . 17 1 1 A 86 86 ILE CA C 81 61.995 61.861 0.134 1
1 1039 . 17 1 1 A 86 86 ILE HA H 81 3.948 3.679 0.269 1
1 1040 . 17 1 1 A 86 86 ILE CB C 81 37.856 36.700 1.156 1
1 1052 . 17 1 1 A 86 86 ILE C C 81 176.728 174.454 2.274 1
1 1053 . 17 1 1 A 87 87 GLN N N 82 121.380 122.068 -0.688 1
1 1054 . 17 1 1 A 87 87 GLN H H 82 8.164 7.878 0.286 1
1 1055 . 17 1 1 A 87 87 GLN CA C 82 56.075 54.437 1.638 1
1 1056 . 17 1 1 A 87 87 GLN HA H 82 4.227 4.351 -0.124 1
1 1057 . 17 1 1 A 87 87 GLN CB C 82 28.735 30.518 -1.783 1
1 1066 . 17 1 1 A 87 87 GLN C C 82 175.836 175.612 0.224 1
1 1067 . 17 1 1 A 88 88 CYS N N 83 118.668 121.539 -2.871 1
1 1068 . 17 1 1 A 88 88 CYS H H 83 8.238 8.587 -0.349 1
1 1069 . 17 1 1 A 88 88 CYS CA C 83 58.012 58.235 -0.223 1
1 1070 . 17 1 1 A 88 88 CYS HA H 83 4.475 4.477 -0.002 1
1 1071 . 17 1 1 A 88 88 CYS CB C 83 27.697 26.032 1.665 1
1 1074 . 17 1 1 A 88 88 CYS C C 83 173.428 174.476 -1.048 1
1 1075 . 17 1 1 A 89 89 ALA N N 84 127.014 127.342 -0.328 1
1 1076 . 17 1 1 A 89 89 ALA H H 84 8.249 8.293 -0.044 1
1 1077 . 17 1 1 A 89 89 ALA CA C 84 50.615 50.566 0.049 1
1 1078 . 17 1 1 A 89 89 ALA HA H 84 4.562 4.246 0.316 1
1 1082 . 17 1 1 A 89 89 ALA CB C 84 17.465 19.735 -2.270 1
1 1083 . 17 1 1 A 89 89 ALA C C 84 175.125 177.533 -2.408 1
1 1085 . 17 1 1 A 90 90 PRO CA C 85 63.085 63.632 -0.547 1
1 1086 . 17 1 1 A 90 90 PRO HA H 85 4.386 4.390 -0.004 1
1 1087 . 17 1 1 A 90 90 PRO CB C 85 31.491 32.015 -0.524 1
1 1095 . 17 1 1 A 90 90 PRO C C 85 176.381 177.007 -0.626 1
1 1096 . 17 1 1 A 91 91 ASP N N 86 119.209 118.730 0.479 1
1 1097 . 17 1 1 A 91 91 ASP H H 86 8.429 8.056 0.373 1
1 1098 . 17 1 1 A 91 91 ASP CA C 86 53.752 54.793 -1.041 1
1 1099 . 17 1 1 A 91 91 ASP HA H 86 4.394 4.353 0.041 1
1 1100 . 17 1 1 A 91 91 ASP CB C 86 40.319 39.188 1.131 1
1 1103 . 17 1 1 A 91 91 ASP C C 86 176.101 176.013 0.088 1
1 1104 . 17 1 1 A 92 92 LEU N N 87 122.571 122.199 0.372 1
1 1105 . 17 1 1 A 92 92 LEU H H 87 8.208 7.878 0.330 1
1 1106 . 17 1 1 A 92 92 LEU CA C 87 55.327 58.222 -2.895 1
1 1107 . 17 1 1 A 92 92 LEU HA H 87 4.205 3.808 0.397 1
1 1108 . 17 1 1 A 92 92 LEU CB C 87 41.636 42.022 -0.386 1
1 1121 . 17 1 1 A 92 92 LEU C C 87 177.406 177.970 -0.564 1
1 1122 . 17 1 1 A 93 93 ALA N N 88 123.131 117.483 5.648 1
1 1123 . 17 1 1 A 93 93 ALA H H 88 8.305 7.672 0.633 1
1 1124 . 17 1 1 A 93 93 ALA CA C 88 52.823 51.456 1.367 1
1 1125 . 17 1 1 A 93 93 ALA HA H 88 4.245 4.603 -0.358 1
1 1129 . 17 1 1 A 93 93 ALA CB C 88 18.496 19.665 -1.169 1
1 1130 . 17 1 1 A 93 93 ALA C C 88 178.033 177.818 0.215 1
1 1131 . 17 1 1 A 94 94 THR N N 89 112.097 107.519 4.578 1
1 1132 . 17 1 1 A 94 94 THR H H 89 7.994 8.523 -0.529 1
1 1133 . 17 1 1 A 94 94 THR CA C 89 61.892 66.088 -4.196 1
1 1134 . 17 1 1 A 94 94 THR HA H 89 4.247 3.922 0.325 1
1 1135 . 17 1 1 A 94 94 THR CB C 89 69.076 66.958 2.118 1
1 1141 . 17 1 1 A 94 94 THR C C 89 174.478 173.999 0.479 1
1 1142 . 17 1 1 A 95 95 ARG N N 90 122.704 118.979 3.725 1
1 1143 . 17 1 1 A 95 95 ARG H H 90 8.211 8.603 -0.392 1
1 1144 . 17 1 1 A 95 95 ARG CA C 90 55.803 55.079 0.724 1
1 1145 . 17 1 1 A 95 95 ARG HA H 90 4.336 4.367 -0.031 1
1 1146 . 17 1 1 A 95 95 ARG CB C 90 30.263 31.074 -0.811 1
1 1157 . 17 1 1 A 95 95 ARG C C 90 175.958 174.442 1.516 1
1 1158 . 17 1 1 A 96 96 SER N N 91 116.390 115.614 0.776 1
1 1159 . 17 1 1 A 96 96 SER H H 91 8.365 7.399 0.966 1
1 1160 . 17 1 1 A 96 96 SER CA C 91 58.011 58.030 -0.019 1
1 1161 . 17 1 1 A 96 96 SER HA H 91 4.383 4.692 -0.309 1
1 1162 . 17 1 1 A 96 96 SER CB C 91 63.261 65.261 -2.000 1
1 1165 . 17 1 1 A 96 96 SER C C 91 174.016 174.063 -0.047 1
1 1166 . 17 1 1 A 97 97 HIS N N 92 120.507 126.455 -5.948 1
1 1167 . 17 1 1 A 97 97 HIS H H 92 8.541 8.689 -0.148 1
1 1168 . 17 1 1 A 97 97 HIS CA C 92 55.068 57.684 -2.616 1
1 1169 . 17 1 1 A 97 97 HIS HA H 92 4.707 4.611 0.096 1
1 1170 . 17 1 1 A 97 97 HIS CB C 92 28.839 31.459 -2.620 1
1 1173 . 17 1 1 A 97 97 HIS C C 92 174.186 174.849 -0.663 1
1 1174 . 17 1 1 A 98 98 SER N N 93 116.801 112.657 4.144 1
1 1175 . 17 1 1 A 98 98 SER H H 93 8.455 7.937 0.518 1
1 1176 . 17 1 1 A 98 98 SER CA C 93 58.046 56.958 1.088 1
1 1177 . 17 1 1 A 98 98 SER HA H 93 4.450 4.668 -0.218 1
1 1178 . 17 1 1 A 98 98 SER CB C 93 63.434 63.665 -0.231 1
1 1181 . 17 1 1 A 98 98 SER C C 93 174.553 173.428 1.125 1
1 1182 . 17 1 1 A 99 99 GLY N N 94 111.114 115.234 -4.120 1
1 1183 . 17 1 1 A 99 99 GLY H H 94 8.597 8.300 0.297 1
1 1184 . 17 1 1 A 99 99 GLY CA C 94 44.888 45.193 -0.305 1
1 1185 . 17 1 1 A 99 99 GLY HA2 H 94 3.998 4.168 -0.170 1
1 1186 . 17 1 1 A 99 99 GLY HA3 H 94 3.998 4.232 -0.234 1
1 1187 . 17 1 1 A 99 99 GLY C C 94 173.856 174.877 -1.021 1
1 1188 . 17 1 1 A 100 100 SER N N 95 115.398 115.804 -0.406 1
1 1189 . 17 1 1 A 100 100 SER H H 95 8.311 7.754 0.557 1
1 1190 . 17 1 1 A 100 100 SER CA C 95 57.909 57.351 0.558 1
1 1191 . 17 1 1 A 100 100 SER HA H 95 4.422 4.735 -0.313 1
1 1192 . 17 1 1 A 100 100 SER CB C 95 63.377 64.493 -1.116 1
1 1195 . 17 1 1 A 100 100 SER C C 95 173.695 174.193 -0.498 1
1 1196 . 17 1 1 A 101 101 ASP N N 96 121.810 117.600 4.210 1
1 1197 . 17 1 1 A 101 101 ASP H H 96 8.380 8.286 0.094 1
1 1198 . 17 1 1 A 101 101 ASP CA C 96 53.797 55.378 -1.581 1
1 1199 . 17 1 1 A 101 101 ASP HA H 96 4.546 4.161 0.385 1
1 1200 . 17 1 1 A 101 101 ASP CB C 96 40.440 38.979 1.461 1
1 1203 . 17 1 1 A 101 101 ASP C C 96 175.547 176.057 -0.510 1
1 1204 . 17 1 1 A 102 102 PHE N N 97 120.706 116.505 4.201 1
1 1205 . 17 1 1 A 102 102 PHE H H 97 8.249 8.657 -0.408 1
1 1206 . 17 1 1 A 102 102 PHE CA C 97 57.444 58.984 -1.540 1
1 1207 . 17 1 1 A 102 102 PHE HA H 97 4.546 4.133 0.413 1
1 1208 . 17 1 1 A 102 102 PHE CB C 97 38.772 37.987 0.785 1
1 1214 . 17 1 1 A 102 102 PHE C C 97 175.312 174.271 1.041 1
1 1215 . 17 1 1 A 103 103 SER N N 98 116.992 113.884 3.108 1
1 1216 . 17 1 1 A 103 103 SER H H 98 8.167 8.251 -0.084 1
1 1217 . 17 1 1 A 103 103 SER CA C 98 57.983 55.816 2.167 1
1 1218 . 17 1 1 A 103 103 SER HA H 98 4.314 4.726 -0.412 1
1 1219 . 17 1 1 A 103 103 SER CB C 98 63.384 66.011 -2.627 1
1 1222 . 17 1 1 A 103 103 SER C C 98 173.286 174.154 -0.868 1
1 1223 . 17 1 1 A 104 104 PHE N N 99 122.000 123.686 -1.686 1
1 1224 . 17 1 1 A 104 104 PHE H H 99 8.170 8.973 -0.803 1
1 1225 . 17 1 1 A 104 104 PHE CA C 99 57.354 58.580 -1.226 1
1 1226 . 17 1 1 A 104 104 PHE HA H 99 4.545 4.164 0.381 1
1 1227 . 17 1 1 A 104 104 PHE CB C 99 39.045 37.358 1.687 1
1 1233 . 17 1 1 A 104 104 PHE C C 99 174.621 175.119 -0.498 1
1 1234 . 17 1 1 A 105 105 ARG N N 100 124.796 119.398 5.398 1
1 1235 . 17 1 1 A 105 105 ARG H H 100 8.101 7.761 0.340 1
1 1236 . 17 1 1 A 105 105 ARG CA C 100 52.919 54.911 -1.992 1
1 1237 . 17 1 1 A 105 105 ARG HA H 100 4.542 4.319 0.223 1
1 1238 . 17 1 1 A 105 105 ARG CB C 100 29.973 29.907 0.066 1
1 1247 . 17 1 1 A 105 105 ARG C C 100 172.924 174.462 -1.538 1
1 1249 . 17 1 1 A 106 106 PRO CA C 101 62.366 62.675 -0.309 1
1 1250 . 17 1 1 A 106 106 PRO HA H 101 4.349 4.641 -0.292 1
1 1251 . 17 1 1 A 106 106 PRO CB C 101 31.609 30.711 0.898 1
1 1259 . 17 1 1 A 106 106 PRO C C 101 176.395 175.976 0.419 1
1 1260 . 17 1 1 A 107 107 ILE N N 102 121.380 123.968 -2.588 1
1 1261 . 17 1 1 A 107 107 ILE H H 102 8.350 8.130 0.220 1
1 1262 . 17 1 1 A 107 107 ILE CA C 102 60.925 60.282 0.643 1
1 1263 . 17 1 1 A 107 107 ILE HA H 102 4.050 4.533 -0.483 1
1 1264 . 17 1 1 A 107 107 ILE CB C 102 38.165 39.149 -0.984 1
1 1277 . 17 1 1 A 107 107 ILE C C 102 175.990 176.380 -0.390 1
1 1278 . 17 1 1 A 108 108 GLU N N 103 124.836 124.191 0.645 1
1 1279 . 17 1 1 A 108 108 GLU H H 103 8.578 8.051 0.527 1
1 1280 . 17 1 1 A 108 108 GLU CA C 103 55.915 59.568 -3.653 1
1 1281 . 17 1 1 A 108 108 GLU HA H 103 4.279 4.009 0.270 1
1 1282 . 17 1 1 A 108 108 GLU CB C 103 29.902 29.764 0.138 1
1 1288 . 17 1 1 A 108 108 GLU C C 103 175.678 177.672 -1.994 1
1 1289 . 17 1 1 A 109 109 GLU N N 104 122.847 119.180 3.667 1
1 1290 . 17 1 1 A 109 109 GLU H H 104 8.459 7.726 0.733 1
1 1291 . 17 1 1 A 109 109 GLU CA C 104 55.845 55.919 -0.074 1
1 1292 . 17 1 1 A 109 109 GLU HA H 104 4.273 4.342 -0.069 1
1 1293 . 17 1 1 A 109 109 GLU CB C 104 29.990 28.665 1.325 1
1 1299 . 17 1 1 A 109 109 GLU C C 104 174.661 175.242 -0.581 1
1 3 . 18 1 1 A 2 2 SER N N -4 115.528 120.852 -5.324 1
1 4 . 18 1 1 A 2 2 SER H H -4 8.751 8.547 0.204 1
1 5 . 18 1 1 A 2 2 SER CA C -4 57.819 58.025 -0.206 1
1 6 . 18 1 1 A 2 2 SER HA H -4 4.461 4.457 0.004 1
1 7 . 18 1 1 A 2 2 SER CB C -4 63.389 63.276 0.113 1
1 8 . 18 1 1 A 2 2 SER C C -4 173.924 173.002 0.922 1
1 9 . 18 1 1 A 3 3 HIS N N -3 120.998 115.866 5.132 1
1 10 . 18 1 1 A 3 3 HIS H H -3 8.769 7.877 0.892 1
1 11 . 18 1 1 A 3 3 HIS CA C -3 55.238 56.873 -1.635 1
1 12 . 18 1 1 A 3 3 HIS HA H -3 4.703 4.208 0.495 1
1 13 . 18 1 1 A 3 3 HIS CB C -3 28.916 26.657 2.259 1
1 16 . 18 1 1 A 3 3 HIS C C -3 174.207 174.209 -0.002 1
1 17 . 18 1 1 A 4 4 MET N N -2 122.227 117.102 5.125 1
1 18 . 18 1 1 A 4 4 MET H H -2 8.518 7.662 0.856 1
1 19 . 18 1 1 A 4 4 MET CA C -2 55.003 54.809 0.194 1
1 20 . 18 1 1 A 4 4 MET HA H -2 4.420 4.749 -0.329 1
1 21 . 18 1 1 A 4 4 MET CB C -2 32.578 33.346 -0.768 1
1 31 . 18 1 1 A 4 4 MET C C -2 175.475 174.523 0.952 1
1 49 . 18 1 1 A 7 7 ALA N N 2 124.543 123.592 0.951 1
1 50 . 18 1 1 A 7 7 ALA H H 2 8.453 8.119 0.334 1
1 51 . 18 1 1 A 7 7 ALA CA C 2 53.203 54.465 -1.262 1
1 52 . 18 1 1 A 7 7 ALA HA H 2 4.211 4.088 0.123 1
1 56 . 18 1 1 A 7 7 ALA CB C 2 18.387 18.213 0.174 1
1 57 . 18 1 1 A 7 7 ALA C C 2 178.091 178.890 -0.799 1
1 58 . 18 1 1 A 8 8 ASP N N 3 118.618 118.692 -0.074 1
1 59 . 18 1 1 A 8 8 ASP H H 3 8.064 7.857 0.207 1
1 60 . 18 1 1 A 8 8 ASP CA C 3 54.381 56.892 -2.511 1
1 61 . 18 1 1 A 8 8 ASP HA H 3 4.551 4.314 0.237 1
1 62 . 18 1 1 A 8 8 ASP CB C 3 40.446 40.925 -0.479 1
1 65 . 18 1 1 A 8 8 ASP C C 3 176.662 178.180 -1.518 1
1 66 . 18 1 1 A 9 9 LEU N N 4 123.427 120.421 3.006 1
1 67 . 18 1 1 A 9 9 LEU H H 4 8.202 7.815 0.387 1
1 68 . 18 1 1 A 9 9 LEU CA C 4 57.491 57.875 -0.384 1
1 69 . 18 1 1 A 9 9 LEU HA H 4 4.084 4.149 -0.065 1
1 70 . 18 1 1 A 9 9 LEU CB C 4 41.745 41.647 0.098 1
1 80 . 18 1 1 A 9 9 LEU C C 4 178.873 178.647 0.226 1
1 81 . 18 1 1 A 10 10 VAL N N 5 119.385 119.184 0.201 1
1 82 . 18 1 1 A 10 10 VAL H H 5 8.186 8.359 -0.173 1
1 83 . 18 1 1 A 10 10 VAL CA C 5 66.686 66.728 -0.042 1
1 84 . 18 1 1 A 10 10 VAL HA H 5 3.435 3.520 -0.085 1
1 85 . 18 1 1 A 10 10 VAL CB C 5 31.135 31.502 -0.367 1
1 95 . 18 1 1 A 10 10 VAL C C 5 177.408 177.629 -0.221 1
1 96 . 18 1 1 A 11 11 SER N N 6 115.027 115.836 -0.809 1
1 97 . 18 1 1 A 11 11 SER H H 6 8.252 8.064 0.188 1
1 98 . 18 1 1 A 11 11 SER CA C 6 61.229 62.109 -0.880 1
1 99 . 18 1 1 A 11 11 SER HA H 6 4.068 4.123 -0.055 1
1 100 . 18 1 1 A 11 11 SER CB C 6 62.054 62.712 -0.658 1
1 103 . 18 1 1 A 11 11 SER C C 6 176.036 176.280 -0.244 1
1 104 . 18 1 1 A 12 12 SER N N 7 115.144 115.479 -0.335 1
1 105 . 18 1 1 A 12 12 SER H H 7 8.053 8.306 -0.253 1
1 106 . 18 1 1 A 12 12 SER CA C 7 60.212 61.447 -1.235 1
1 107 . 18 1 1 A 12 12 SER HA H 7 4.309 4.129 0.180 1
1 108 . 18 1 1 A 12 12 SER CB C 7 62.720 62.547 0.173 1
1 111 . 18 1 1 A 12 12 SER C C 7 176.540 176.827 -0.287 1
1 112 . 18 1 1 A 13 13 CYS N N 8 118.211 119.709 -1.498 1
1 113 . 18 1 1 A 13 13 CYS H H 8 7.919 8.627 -0.708 1
1 114 . 18 1 1 A 13 13 CYS CA C 8 63.729 63.991 -0.262 1
1 115 . 18 1 1 A 13 13 CYS HA H 8 4.046 4.124 -0.078 1
1 116 . 18 1 1 A 13 13 CYS CB C 8 26.703 26.982 -0.279 1
1 119 . 18 1 1 A 13 13 CYS C C 8 175.645 177.063 -1.418 1
1 120 . 18 1 1 A 14 14 LYS N N 9 120.074 121.521 -1.447 1
1 121 . 18 1 1 A 14 14 LYS H H 9 8.632 8.127 0.505 1
1 122 . 18 1 1 A 14 14 LYS CA C 9 60.438 59.550 0.888 1
1 123 . 18 1 1 A 14 14 LYS HA H 9 3.668 4.037 -0.369 1
1 124 . 18 1 1 A 14 14 LYS CB C 9 31.655 32.124 -0.469 1
1 136 . 18 1 1 A 14 14 LYS C C 9 177.590 178.025 -0.435 1
1 137 . 18 1 1 A 15 15 ASP N N 10 117.611 119.526 -1.915 1
1 138 . 18 1 1 A 15 15 ASP H H 10 7.732 8.131 -0.399 1
1 139 . 18 1 1 A 15 15 ASP CA C 10 56.325 57.533 -1.208 1
1 140 . 18 1 1 A 15 15 ASP HA H 10 4.320 4.264 0.056 1
1 141 . 18 1 1 A 15 15 ASP CB C 10 40.092 41.652 -1.560 1
1 144 . 18 1 1 A 15 15 ASP C C 10 177.731 178.679 -0.948 1
1 145 . 18 1 1 A 16 16 LYS N N 11 117.878 119.337 -1.459 1
1 146 . 18 1 1 A 16 16 LYS H H 11 7.254 7.862 -0.608 1
1 147 . 18 1 1 A 16 16 LYS CA C 11 58.984 59.422 -0.438 1
1 148 . 18 1 1 A 16 16 LYS HA H 11 3.662 4.026 -0.364 1
1 149 . 18 1 1 A 16 16 LYS CB C 11 32.933 32.226 0.707 1
1 158 . 18 1 1 A 16 16 LYS C C 11 177.350 178.676 -1.326 1
1 159 . 18 1 1 A 17 17 LEU N N 12 115.652 121.884 -6.232 1
1 160 . 18 1 1 A 17 17 LEU H H 12 8.138 8.469 -0.331 1
1 161 . 18 1 1 A 17 17 LEU CA C 12 56.722 58.065 -1.343 1
1 162 . 18 1 1 A 17 17 LEU HA H 12 3.588 4.155 -0.567 1
1 163 . 18 1 1 A 17 17 LEU CB C 12 41.870 41.226 0.644 1
1 174 . 18 1 1 A 17 17 LEU C C 12 177.545 178.642 -1.097 1
1 175 . 18 1 1 A 18 18 ALA N N 13 116.045 120.989 -4.944 1
1 176 . 18 1 1 A 18 18 ALA H H 13 7.080 8.611 -1.531 1
1 177 . 18 1 1 A 18 18 ALA CA C 13 53.475 55.040 -1.565 1
1 178 . 18 1 1 A 18 18 ALA HA H 13 3.984 4.125 -0.141 1
1 182 . 18 1 1 A 18 18 ALA CB C 13 18.121 18.436 -0.315 1
1 183 . 18 1 1 A 18 18 ALA C C 13 178.298 179.262 -0.964 1
1 184 . 18 1 1 A 19 19 TYR N N 14 115.556 119.653 -4.097 1
1 185 . 18 1 1 A 19 19 TYR H H 14 7.675 7.837 -0.162 1
1 186 . 18 1 1 A 19 19 TYR CA C 14 58.741 59.959 -1.218 1
1 187 . 18 1 1 A 19 19 TYR HA H 14 4.323 4.190 0.133 1
1 188 . 18 1 1 A 19 19 TYR CB C 14 38.610 39.010 -0.400 1
1 193 . 18 1 1 A 19 19 TYR C C 14 176.007 175.590 0.417 1
1 194 . 18 1 1 A 20 20 PHE N N 15 118.275 119.513 -1.238 1
1 195 . 18 1 1 A 20 20 PHE H H 15 7.406 7.775 -0.369 1
1 196 . 18 1 1 A 20 20 PHE CA C 15 56.542 56.914 -0.372 1
1 197 . 18 1 1 A 20 20 PHE HA H 15 4.652 4.834 -0.182 1
1 198 . 18 1 1 A 20 20 PHE CB C 15 38.561 40.642 -2.081 1
1 202 . 18 1 1 A 20 20 PHE C C 15 176.160 175.692 0.468 1
1 203 . 18 1 1 A 21 21 ARG N N 16 119.140 122.655 -3.515 1
1 204 . 18 1 1 A 21 21 ARG H H 16 8.714 8.728 -0.014 1
1 205 . 18 1 1 A 21 21 ARG CA C 16 54.474 56.439 -1.965 1
1 206 . 18 1 1 A 21 21 ARG HA H 16 4.747 4.345 0.402 1
1 207 . 18 1 1 A 21 21 ARG CB C 16 30.097 31.268 -1.171 1
1 223 . 18 1 1 A 21 21 ARG C C 16 177.095 177.821 -0.726 1
1 224 . 18 1 1 A 22 22 ILE N N 17 120.734 122.243 -1.509 1
1 225 . 18 1 1 A 22 22 ILE H H 17 8.708 8.823 -0.115 1
1 226 . 18 1 1 A 22 22 ILE CA C 17 65.114 64.735 0.379 1
1 227 . 18 1 1 A 22 22 ILE HA H 17 3.740 3.711 0.029 1
1 228 . 18 1 1 A 22 22 ILE CB C 17 36.768 37.682 -0.914 1
1 241 . 18 1 1 A 22 22 ILE C C 17 176.639 178.000 -1.361 1
1 242 . 18 1 1 A 23 23 LYS N N 18 118.184 121.257 -3.073 1
1 243 . 18 1 1 A 23 23 LYS H H 18 8.267 8.284 -0.017 1
1 244 . 18 1 1 A 23 23 LYS CA C 18 59.978 59.968 0.010 1
1 245 . 18 1 1 A 23 23 LYS HA H 18 3.909 3.881 0.028 1
1 246 . 18 1 1 A 23 23 LYS CB C 18 32.191 32.241 -0.050 1
1 258 . 18 1 1 A 23 23 LYS C C 18 178.185 178.967 -0.782 1
1 259 . 18 1 1 A 24 24 GLU N N 19 117.651 119.433 -1.782 1
1 260 . 18 1 1 A 24 24 GLU H H 19 7.198 8.003 -0.805 1
1 261 . 18 1 1 A 24 24 GLU CA C 19 60.601 59.110 1.491 1
1 262 . 18 1 1 A 24 24 GLU HA H 19 4.056 3.908 0.148 1
1 263 . 18 1 1 A 24 24 GLU CB C 19 28.859 29.478 -0.619 1
1 269 . 18 1 1 A 24 24 GLU C C 19 178.542 179.072 -0.530 1
1 270 . 18 1 1 A 25 25 LEU N N 20 119.236 120.387 -1.151 1
1 271 . 18 1 1 A 25 25 LEU H H 20 7.980 8.215 -0.235 1
1 272 . 18 1 1 A 25 25 LEU CA C 20 57.812 57.612 0.200 1
1 273 . 18 1 1 A 25 25 LEU HA H 20 3.947 3.930 0.017 1
1 274 . 18 1 1 A 25 25 LEU CB C 20 42.172 41.778 0.394 1
1 281 . 18 1 1 A 25 25 LEU C C 20 178.081 178.751 -0.670 1
1 282 . 18 1 1 A 26 26 LYS N N 21 117.457 117.683 -0.226 1
1 283 . 18 1 1 A 26 26 LYS H H 21 8.770 8.823 -0.053 1
1 284 . 18 1 1 A 26 26 LYS CA C 21 60.741 60.383 0.358 1
1 285 . 18 1 1 A 26 26 LYS HA H 21 3.806 3.882 -0.076 1
1 286 . 18 1 1 A 26 26 LYS CB C 21 31.876 32.100 -0.224 1
1 287 . 18 1 1 A 26 26 LYS C C 21 177.659 178.755 -1.096 1
1 288 . 18 1 1 A 27 27 ASP N N 22 119.023 119.808 -0.785 1
1 289 . 18 1 1 A 27 27 ASP H H 22 7.671 7.833 -0.162 1
1 290 . 18 1 1 A 27 27 ASP CA C 22 56.971 57.133 -0.162 1
1 291 . 18 1 1 A 27 27 ASP HA H 22 4.409 4.443 -0.034 1
1 292 . 18 1 1 A 27 27 ASP CB C 22 40.196 40.626 -0.430 1
1 295 . 18 1 1 A 27 27 ASP C C 22 180.796 178.896 1.900 1
1 296 . 18 1 1 A 28 28 ILE N N 23 119.318 120.465 -1.147 1
1 297 . 18 1 1 A 28 28 ILE H H 23 8.039 7.910 0.129 1
1 298 . 18 1 1 A 28 28 ILE CA C 23 65.328 65.860 -0.532 1
1 299 . 18 1 1 A 28 28 ILE HA H 23 3.601 3.602 -0.001 1
1 300 . 18 1 1 A 28 28 ILE CB C 23 37.309 38.180 -0.871 1
1 313 . 18 1 1 A 28 28 ILE C C 23 177.251 178.521 -1.270 1
1 314 . 18 1 1 A 29 29 LEU N N 24 120.356 118.808 1.548 1
1 315 . 18 1 1 A 29 29 LEU H H 24 8.220 8.034 0.186 1
1 316 . 18 1 1 A 29 29 LEU CA C 24 58.535 58.161 0.374 1
1 317 . 18 1 1 A 29 29 LEU HA H 24 3.824 3.864 -0.040 1
1 318 . 18 1 1 A 29 29 LEU CB C 24 39.478 41.469 -1.991 1
1 326 . 18 1 1 A 29 29 LEU C C 24 178.599 178.716 -0.117 1
1 327 . 18 1 1 A 30 30 ASN N N 25 117.446 116.879 0.567 1
1 328 . 18 1 1 A 30 30 ASN H H 25 8.687 8.679 0.008 1
1 329 . 18 1 1 A 30 30 ASN CA C 25 56.241 56.548 -0.307 1
1 330 . 18 1 1 A 30 30 ASN HA H 25 4.520 4.353 0.167 1
1 331 . 18 1 1 A 30 30 ASN CB C 25 38.899 38.327 0.572 1
1 338 . 18 1 1 A 30 30 ASN C C 25 178.958 177.470 1.488 1
1 339 . 18 1 1 A 31 31 GLN N N 26 119.946 117.868 2.078 1
1 340 . 18 1 1 A 31 31 GLN H H 26 8.184 7.643 0.541 1
1 341 . 18 1 1 A 31 31 GLN CA C 26 58.779 58.421 0.358 1
1 342 . 18 1 1 A 31 31 GLN HA H 26 4.055 4.144 -0.089 1
1 343 . 18 1 1 A 31 31 GLN CB C 26 29.109 28.456 0.653 1
1 353 . 18 1 1 A 31 31 GLN C C 26 177.586 178.608 -1.022 1
1 354 . 18 1 1 A 32 32 LEU N N 27 116.979 114.826 2.153 1
1 355 . 18 1 1 A 32 32 LEU H H 27 7.893 7.708 0.185 1
1 356 . 18 1 1 A 32 32 LEU CA C 27 54.393 54.559 -0.166 1
1 357 . 18 1 1 A 32 32 LEU HA H 27 4.240 4.266 -0.026 1
1 358 . 18 1 1 A 32 32 LEU CB C 27 42.566 41.662 0.904 1
1 369 . 18 1 1 A 32 32 LEU C C 27 175.693 177.022 -1.329 1
1 370 . 18 1 1 A 33 33 GLY N N 28 108.299 110.048 -1.749 1
1 371 . 18 1 1 A 33 33 GLY H H 28 7.834 7.811 0.023 1
1 372 . 18 1 1 A 33 33 GLY CA C 28 45.707 45.440 0.267 1
1 373 . 18 1 1 A 33 33 GLY HA2 H 28 3.952 4.015 -0.063 1
1 374 . 18 1 1 A 33 33 GLY HA3 H 28 3.952 4.016 -0.064 1
1 375 . 18 1 1 A 33 33 GLY C C 28 174.317 174.513 -0.196 1
1 376 . 18 1 1 A 34 34 LEU N N 29 120.833 113.474 7.359 1
1 377 . 18 1 1 A 34 34 LEU H H 29 7.986 8.336 -0.350 1
1 378 . 18 1 1 A 34 34 LEU CA C 29 51.600 56.192 -4.592 1
1 379 . 18 1 1 A 34 34 LEU HA H 29 4.760 4.480 0.280 1
1 380 . 18 1 1 A 34 34 LEU CB C 29 43.531 40.992 2.539 1
1 392 . 18 1 1 A 35 35 PRO CA C 30 62.741 62.625 0.116 1
1 393 . 18 1 1 A 35 35 PRO HA H 30 4.365 4.781 -0.416 1
1 394 . 18 1 1 A 35 35 PRO CB C 30 31.856 33.507 -1.651 1
1 402 . 18 1 1 A 35 35 PRO C C 30 177.334 176.205 1.129 1
1 403 . 18 1 1 A 36 36 LYS N N 31 117.589 115.765 1.824 1
1 404 . 18 1 1 A 36 36 LYS H H 31 8.380 8.576 -0.196 1
1 405 . 18 1 1 A 36 36 LYS CA C 31 55.569 55.564 0.005 1
1 406 . 18 1 1 A 36 36 LYS HA H 31 4.288 4.588 -0.300 1
1 407 . 18 1 1 A 36 36 LYS CB C 31 33.225 33.162 0.063 1
1 417 . 18 1 1 A 36 36 LYS C C 31 174.406 176.033 -1.627 1
1 418 . 18 1 1 A 37 37 GLN N N 32 118.260 118.842 -0.582 1
1 419 . 18 1 1 A 37 37 GLN H H 32 7.698 7.851 -0.153 1
1 420 . 18 1 1 A 37 37 GLN CA C 32 55.716 53.916 1.800 1
1 421 . 18 1 1 A 37 37 GLN HA H 32 4.392 4.820 -0.428 1
1 422 . 18 1 1 A 37 37 GLN CB C 32 28.251 31.768 -3.517 1
1 432 . 18 1 1 A 37 37 GLN C C 32 175.122 176.029 -0.907 1
1 433 . 18 1 1 A 38 38 GLY N N 33 109.855 108.714 1.141 1
1 434 . 18 1 1 A 38 38 GLY H H 33 8.449 8.491 -0.042 1
1 435 . 18 1 1 A 38 38 GLY CA C 33 43.315 44.579 -1.264 1
1 436 . 18 1 1 A 38 38 GLY HA2 H 33 4.600 4.082 0.518 1
1 437 . 18 1 1 A 38 38 GLY HA3 H 33 3.803 4.082 -0.279 1
1 438 . 18 1 1 A 38 38 GLY C C 33 173.537 173.632 -0.095 1
1 439 . 18 1 1 A 39 39 LYS N N 34 117.627 122.634 -5.007 1
1 440 . 18 1 1 A 39 39 LYS H H 34 8.649 8.158 0.491 1
1 441 . 18 1 1 A 39 39 LYS CA C 34 54.916 54.769 0.147 1
1 442 . 18 1 1 A 39 39 LYS HA H 34 4.395 4.550 -0.155 1
1 443 . 18 1 1 A 39 39 LYS CB C 34 32.893 34.092 -1.199 1
1 455 . 18 1 1 A 39 39 LYS C C 34 176.803 178.397 -1.594 1
1 456 . 18 1 1 A 40 40 LYS N N 35 121.705 123.122 -1.417 1
1 457 . 18 1 1 A 40 40 LYS H H 35 8.920 8.591 0.329 1
1 458 . 18 1 1 A 40 40 LYS CA C 35 61.574 59.488 2.086 1
1 459 . 18 1 1 A 40 40 LYS HA H 35 3.599 3.959 -0.360 1
1 460 . 18 1 1 A 40 40 LYS CB C 35 31.924 32.256 -0.332 1
1 472 . 18 1 1 A 40 40 LYS C C 35 177.366 178.440 -1.074 1
1 473 . 18 1 1 A 41 41 GLN N N 36 114.634 119.047 -4.413 1
1 474 . 18 1 1 A 41 41 GLN H H 36 9.017 7.889 1.128 1
1 475 . 18 1 1 A 41 41 GLN CA C 36 57.636 59.035 -1.399 1
1 476 . 18 1 1 A 41 41 GLN HA H 36 3.731 4.013 -0.282 1
1 477 . 18 1 1 A 41 41 GLN CB C 36 27.865 28.144 -0.279 1
1 487 . 18 1 1 A 41 41 GLN C C 36 176.872 178.233 -1.361 1
1 488 . 18 1 1 A 42 42 ASP N N 37 115.980 120.485 -4.505 1
1 489 . 18 1 1 A 42 42 ASP H H 37 7.047 8.177 -1.130 1
1 490 . 18 1 1 A 42 42 ASP CA C 37 56.593 57.368 -0.775 1
1 491 . 18 1 1 A 42 42 ASP HA H 37 4.297 4.360 -0.063 1
1 492 . 18 1 1 A 42 42 ASP CB C 37 39.839 40.654 -0.815 1
1 495 . 18 1 1 A 42 42 ASP C C 37 178.454 178.982 -0.528 1
1 496 . 18 1 1 A 43 43 LEU N N 38 119.074 121.159 -2.085 1
1 497 . 18 1 1 A 43 43 LEU H H 38 7.725 8.191 -0.466 1
1 498 . 18 1 1 A 43 43 LEU CA C 38 57.713 58.005 -0.292 1
1 499 . 18 1 1 A 43 43 LEU HA H 38 3.787 3.978 -0.191 1
1 500 . 18 1 1 A 43 43 LEU CB C 38 40.214 42.363 -2.149 1
1 513 . 18 1 1 A 43 43 LEU C C 38 177.872 179.000 -1.128 1
1 514 . 18 1 1 A 44 44 ILE N N 39 118.343 118.805 -0.462 1
1 515 . 18 1 1 A 44 44 ILE H H 39 7.867 8.168 -0.301 1
1 516 . 18 1 1 A 44 44 ILE CA C 39 66.090 65.508 0.582 1
1 517 . 18 1 1 A 44 44 ILE HA H 39 3.321 3.524 -0.203 1
1 518 . 18 1 1 A 44 44 ILE CB C 39 38.013 37.735 0.278 1
1 528 . 18 1 1 A 44 44 ILE C C 39 177.711 177.712 -0.001 1
1 529 . 18 1 1 A 45 45 ASP N N 40 118.533 121.015 -2.482 1
1 530 . 18 1 1 A 45 45 ASP H H 40 8.503 8.340 0.163 1
1 531 . 18 1 1 A 45 45 ASP CA C 40 57.009 57.376 -0.367 1
1 532 . 18 1 1 A 45 45 ASP HA H 40 4.272 4.459 -0.187 1
1 533 . 18 1 1 A 45 45 ASP CB C 40 39.419 41.295 -1.876 1
1 536 . 18 1 1 A 45 45 ASP C C 40 178.392 178.997 -0.605 1
1 537 . 18 1 1 A 46 46 ARG N N 41 120.911 120.787 0.124 1
1 538 . 18 1 1 A 46 46 ARG H H 41 7.717 7.934 -0.217 1
1 539 . 18 1 1 A 46 46 ARG CA C 41 59.048 59.546 -0.498 1
1 540 . 18 1 1 A 46 46 ARG HA H 41 3.991 4.121 -0.130 1
1 541 . 18 1 1 A 46 46 ARG CB C 41 29.817 30.556 -0.739 1
1 550 . 18 1 1 A 46 46 ARG C C 41 177.537 178.459 -0.922 1
1 551 . 18 1 1 A 47 47 VAL N N 42 117.438 120.002 -2.564 1
1 552 . 18 1 1 A 47 47 VAL H H 42 7.445 8.063 -0.618 1
1 553 . 18 1 1 A 47 47 VAL CA C 42 65.881 66.373 -0.492 1
1 554 . 18 1 1 A 47 47 VAL HA H 42 3.442 3.667 -0.225 1
1 555 . 18 1 1 A 47 47 VAL CB C 42 30.931 31.793 -0.862 1
1 565 . 18 1 1 A 47 47 VAL C C 42 177.671 178.256 -0.585 1
1 566 . 18 1 1 A 48 48 LEU N N 43 117.085 117.571 -0.486 1
1 567 . 18 1 1 A 48 48 LEU H H 43 8.466 8.067 0.399 1
1 568 . 18 1 1 A 48 48 LEU CA C 43 57.248 57.748 -0.500 1
1 569 . 18 1 1 A 48 48 LEU HA H 43 3.847 3.982 -0.135 1
1 570 . 18 1 1 A 48 48 LEU CB C 43 40.720 41.198 -0.478 1
1 583 . 18 1 1 A 48 48 LEU C C 43 179.581 179.639 -0.058 1
1 584 . 18 1 1 A 49 49 ALA N N 44 120.479 121.947 -1.468 1
1 585 . 18 1 1 A 49 49 ALA H H 44 7.953 7.947 0.006 1
1 586 . 18 1 1 A 49 49 ALA CA C 44 53.997 54.665 -0.668 1
1 587 . 18 1 1 A 49 49 ALA HA H 44 4.123 4.100 0.023 1
1 591 . 18 1 1 A 49 49 ALA CB C 44 17.631 18.158 -0.527 1
1 592 . 18 1 1 A 49 49 ALA C C 44 178.926 179.489 -0.563 1
1 593 . 18 1 1 A 50 50 LEU N N 45 115.306 120.316 -5.010 1
1 594 . 18 1 1 A 50 50 LEU H H 45 7.428 7.754 -0.326 1
1 595 . 18 1 1 A 50 50 LEU CA C 45 55.652 57.590 -1.938 1
1 596 . 18 1 1 A 50 50 LEU HA H 45 4.219 4.118 0.101 1
1 597 . 18 1 1 A 50 50 LEU CB C 45 41.846 41.827 0.019 1
1 610 . 18 1 1 A 50 50 LEU C C 45 177.840 178.734 -0.894 1
1 611 . 18 1 1 A 51 51 LEU N N 46 115.880 118.669 -2.789 1
1 612 . 18 1 1 A 51 51 LEU H H 46 7.642 7.965 -0.323 1
1 613 . 18 1 1 A 51 51 LEU CA C 46 54.693 56.442 -1.749 1
1 614 . 18 1 1 A 51 51 LEU HA H 46 4.265 4.197 0.068 1
1 615 . 18 1 1 A 51 51 LEU CB C 46 42.040 41.847 0.193 1
1 625 . 18 1 1 A 51 51 LEU C C 46 176.015 177.659 -1.644 1
1 626 . 18 1 1 A 52 52 THR N N 47 109.201 113.073 -3.872 1
1 627 . 18 1 1 A 52 52 THR H H 47 7.516 7.518 -0.002 1
1 628 . 18 1 1 A 52 52 THR CA C 47 60.834 64.609 -3.775 1
1 629 . 18 1 1 A 52 52 THR HA H 47 4.348 4.279 0.069 1
1 630 . 18 1 1 A 52 52 THR CB C 47 69.704 69.404 0.300 1
1 636 . 18 1 1 A 52 52 THR C C 47 173.733 175.506 -1.773 1
1 637 . 18 1 1 A 53 53 ASP N N 48 122.188 119.252 2.936 1
1 638 . 18 1 1 A 53 53 ASP H H 48 8.280 8.250 0.030 1
1 639 . 18 1 1 A 53 53 ASP CA C 48 54.185 56.186 -2.001 1
1 640 . 18 1 1 A 53 53 ASP HA H 48 4.699 4.529 0.170 1
1 641 . 18 1 1 A 53 53 ASP CB C 48 40.749 40.382 0.367 1
1 645 . 18 1 1 A 53 53 ASP C C 48 176.000 176.714 -0.714 1
1 646 . 18 1 1 A 54 54 GLU N N 49 121.966 118.560 3.406 1
1 647 . 18 1 1 A 54 54 GLU H H 49 8.588 7.767 0.821 1
1 648 . 18 1 1 A 54 54 GLU CA C 49 56.604 55.527 1.077 1
1 649 . 18 1 1 A 54 54 GLU HA H 49 4.229 4.653 -0.424 1
1 650 . 18 1 1 A 54 54 GLU CB C 49 29.642 30.835 -1.193 1
1 656 . 18 1 1 A 54 54 GLU C C 49 176.589 176.787 -0.198 1
1 657 . 18 1 1 A 55 55 GLN N N 50 120.727 119.242 1.485 1
1 658 . 18 1 1 A 55 55 GLN H H 50 8.642 7.837 0.805 1
1 659 . 18 1 1 A 55 55 GLN CA C 50 56.165 55.556 0.609 1
1 660 . 18 1 1 A 55 55 GLN HA H 50 4.226 4.212 0.014 1
1 661 . 18 1 1 A 55 55 GLN CB C 50 28.555 29.119 -0.564 1
1 671 . 18 1 1 A 55 55 GLN C C 50 176.554 176.805 -0.251 1
1 672 . 18 1 1 A 56 56 GLY N N 51 109.357 108.839 0.518 1
1 673 . 18 1 1 A 56 56 GLY H H 51 8.519 7.984 0.535 1
1 674 . 18 1 1 A 56 56 GLY CA C 51 45.276 46.723 -1.447 1
1 675 . 18 1 1 A 56 56 GLY HA2 H 51 3.951 3.983 -0.032 1
1 676 . 18 1 1 A 56 56 GLY HA3 H 51 3.815 4.046 -0.231 1
1 677 . 18 1 1 A 56 56 GLY C C 51 174.146 175.202 -1.056 1
1 678 . 18 1 1 A 57 57 GLN N N 52 119.207 118.045 1.162 1
1 679 . 18 1 1 A 57 57 GLN H H 52 8.263 8.243 0.020 1
1 680 . 18 1 1 A 57 57 GLN CA C 52 55.650 58.509 -2.859 1
1 681 . 18 1 1 A 57 57 GLN HA H 52 4.217 4.214 0.003 1
1 682 . 18 1 1 A 57 57 GLN CB C 52 28.723 29.149 -0.426 1
1 692 . 18 1 1 A 57 57 GLN C C 52 175.872 177.244 -1.372 1
1 693 . 18 1 1 A 58 58 ARG N N 53 120.525 114.624 5.901 1
1 694 . 18 1 1 A 58 58 ARG H H 53 8.279 7.939 0.340 1
1 695 . 18 1 1 A 58 58 ARG CA C 53 55.854 55.549 0.305 1
1 696 . 18 1 1 A 58 58 ARG HA H 53 4.204 4.633 -0.429 1
1 697 . 18 1 1 A 58 58 ARG CB C 53 29.944 30.597 -0.653 1
1 708 . 18 1 1 A 58 58 ARG C C 53 175.819 175.571 0.248 1
1 709 . 18 1 1 A 59 59 HIS N N 54 118.905 118.621 0.284 1
1 710 . 18 1 1 A 59 59 HIS H H 54 8.397 7.714 0.683 1
1 711 . 18 1 1 A 59 59 HIS CA C 54 55.130 54.897 0.233 1
1 712 . 18 1 1 A 59 59 HIS HA H 54 4.554 4.882 -0.328 1
1 713 . 18 1 1 A 59 59 HIS CB C 54 28.953 31.137 -2.184 1
1 716 . 18 1 1 A 59 59 HIS C C 54 174.248 173.348 0.900 1
1 717 . 18 1 1 A 60 60 HIS N N 55 119.527 116.327 3.200 1
1 718 . 18 1 1 A 60 60 HIS H H 55 8.493 8.273 0.220 1
1 719 . 18 1 1 A 60 60 HIS CA C 55 55.589 53.740 1.849 1
1 720 . 18 1 1 A 60 60 HIS HA H 55 4.553 4.752 -0.199 1
1 721 . 18 1 1 A 60 60 HIS CB C 55 28.913 32.231 -3.318 1
1 724 . 18 1 1 A 60 60 HIS C C 55 174.759 173.919 0.840 1
1 725 . 18 1 1 A 61 61 GLY N N 56 110.215 106.851 3.364 1
1 726 . 18 1 1 A 61 61 GLY H H 56 8.604 7.537 1.067 1
1 727 . 18 1 1 A 61 61 GLY CA C 56 44.977 44.943 0.034 1
1 728 . 18 1 1 A 61 61 GLY HA2 H 56 3.958 3.784 0.174 1
1 729 . 18 1 1 A 61 61 GLY HA3 H 56 3.833 3.819 0.014 1
1 730 . 18 1 1 A 61 61 GLY C C 56 173.752 174.595 -0.843 1
1 731 . 18 1 1 A 62 62 TRP N N 57 120.700 118.438 2.262 1
1 732 . 18 1 1 A 62 62 TRP H H 57 8.175 7.587 0.588 1
1 733 . 18 1 1 A 62 62 TRP CA C 57 56.935 58.352 -1.417 1
1 734 . 18 1 1 A 62 62 TRP HA H 57 4.658 4.758 -0.100 1
1 735 . 18 1 1 A 62 62 TRP CB C 57 29.018 31.150 -2.132 1
1 750 . 18 1 1 A 62 62 TRP C C 57 176.442 177.571 -1.129 1
1 751 . 18 1 1 A 63 63 GLY N N 58 110.195 108.539 1.656 1
1 752 . 18 1 1 A 63 63 GLY H H 58 8.452 8.488 -0.036 1
1 753 . 18 1 1 A 63 63 GLY CA C 58 45.052 46.057 -1.005 1
1 754 . 18 1 1 A 63 63 GLY HA2 H 58 3.925 4.073 -0.148 1
1 755 . 18 1 1 A 63 63 GLY HA3 H 58 3.833 4.087 -0.254 1
1 756 . 18 1 1 A 63 63 GLY C C 58 173.738 173.756 -0.018 1
1 757 . 18 1 1 A 64 64 ARG N N 59 120.374 121.761 -1.387 1
1 758 . 18 1 1 A 64 64 ARG H H 59 8.136 8.409 -0.273 1
1 759 . 18 1 1 A 64 64 ARG CA C 59 55.779 57.326 -1.547 1
1 760 . 18 1 1 A 64 64 ARG HA H 59 4.287 4.645 -0.358 1
1 761 . 18 1 1 A 64 64 ARG CB C 59 30.244 33.412 -3.168 1
1 772 . 18 1 1 A 64 64 ARG C C 59 176.269 176.618 -0.349 1
1 773 . 18 1 1 A 65 65 LYS N N 60 121.590 115.488 6.102 1
1 774 . 18 1 1 A 65 65 LYS H H 60 8.483 7.727 0.756 1
1 775 . 18 1 1 A 65 65 LYS CA C 60 56.435 55.582 0.853 1
1 776 . 18 1 1 A 65 65 LYS HA H 60 4.226 4.580 -0.354 1
1 777 . 18 1 1 A 65 65 LYS CB C 60 32.259 33.065 -0.806 1
1 783 . 18 1 1 A 65 65 LYS C C 60 176.075 177.024 -0.949 1
1 784 . 18 1 1 A 66 66 ASN N N 61 118.654 119.491 -0.837 1
1 785 . 18 1 1 A 66 66 ASN H H 61 8.413 8.142 0.271 1
1 786 . 18 1 1 A 66 66 ASN CA C 61 53.042 55.478 -2.436 1
1 787 . 18 1 1 A 66 66 ASN HA H 61 4.651 4.473 0.178 1
1 788 . 18 1 1 A 66 66 ASN CB C 61 38.348 38.954 -0.606 1
1 795 . 18 1 1 A 66 66 ASN C C 61 174.530 175.839 -1.309 1
1 796 . 18 1 1 A 67 67 SER N N 62 115.494 111.416 4.078 1
1 797 . 18 1 1 A 67 67 SER H H 62 8.289 8.078 0.211 1
1 798 . 18 1 1 A 67 67 SER CA C 62 58.090 59.559 -1.469 1
1 799 . 18 1 1 A 67 67 SER HA H 62 4.294 4.294 0.000 1
1 800 . 18 1 1 A 67 67 SER CB C 62 63.205 61.196 2.009 1
1 803 . 18 1 1 A 67 67 SER C C 62 173.894 174.724 -0.830 1
1 804 . 18 1 1 A 68 68 LEU N N 63 123.552 118.429 5.123 1
1 805 . 18 1 1 A 68 68 LEU H H 63 8.063 7.991 0.072 1
1 806 . 18 1 1 A 68 68 LEU CA C 63 54.124 53.951 0.173 1
1 807 . 18 1 1 A 68 68 LEU HA H 63 4.495 4.650 -0.155 1
1 808 . 18 1 1 A 68 68 LEU CB C 63 42.447 42.892 -0.445 1
1 821 . 18 1 1 A 68 68 LEU C C 63 176.587 175.344 1.243 1
1 822 . 18 1 1 A 69 69 THR N N 64 112.637 114.641 -2.004 1
1 823 . 18 1 1 A 69 69 THR H H 64 7.797 7.641 0.156 1
1 824 . 18 1 1 A 69 69 THR CA C 64 60.021 60.760 -0.739 1
1 825 . 18 1 1 A 69 69 THR HA H 64 4.490 4.892 -0.402 1
1 826 . 18 1 1 A 69 69 THR CB C 64 70.896 72.469 -1.573 1
1 832 . 18 1 1 A 69 69 THR C C 64 174.998 175.041 -0.043 1
1 833 . 18 1 1 A 70 70 LYS N N 65 120.128 123.264 -3.136 1
1 834 . 18 1 1 A 70 70 LYS H H 65 9.059 8.928 0.131 1
1 835 . 18 1 1 A 70 70 LYS CA C 65 59.374 59.044 0.330 1
1 836 . 18 1 1 A 70 70 LYS HA H 65 3.941 4.018 -0.077 1
1 837 . 18 1 1 A 70 70 LYS CB C 65 31.830 31.803 0.027 1
1 843 . 18 1 1 A 70 70 LYS C C 65 177.539 178.441 -0.902 1
1 844 . 18 1 1 A 71 71 GLU N N 66 117.667 119.455 -1.788 1
1 845 . 18 1 1 A 71 71 GLU H H 66 8.699 8.682 0.017 1
1 846 . 18 1 1 A 71 71 GLU CA C 66 60.307 59.048 1.259 1
1 847 . 18 1 1 A 71 71 GLU HA H 66 3.812 4.084 -0.272 1
1 848 . 18 1 1 A 71 71 GLU CB C 66 27.903 29.605 -1.702 1
1 855 . 18 1 1 A 71 71 GLU C C 66 178.499 178.994 -0.495 1
1 856 . 18 1 1 A 72 72 ALA N N 67 123.914 122.075 1.839 1
1 857 . 18 1 1 A 72 72 ALA H H 67 7.991 7.296 0.695 1
1 858 . 18 1 1 A 72 72 ALA CA C 67 54.601 54.884 -0.283 1
1 859 . 18 1 1 A 72 72 ALA HA H 67 4.116 4.079 0.037 1
1 863 . 18 1 1 A 72 72 ALA CB C 67 18.288 18.795 -0.507 1
1 864 . 18 1 1 A 72 72 ALA C C 67 178.721 179.493 -0.772 1
1 865 . 18 1 1 A 73 73 VAL N N 68 119.435 118.129 1.306 1
1 866 . 18 1 1 A 73 73 VAL H H 68 8.045 7.969 0.076 1
1 867 . 18 1 1 A 73 73 VAL CA C 68 66.211 66.587 -0.376 1
1 868 . 18 1 1 A 73 73 VAL HA H 68 3.470 3.547 -0.077 1
1 869 . 18 1 1 A 73 73 VAL CB C 68 31.103 31.627 -0.524 1
1 879 . 18 1 1 A 73 73 VAL C C 68 177.001 178.619 -1.618 1
1 880 . 18 1 1 A 74 74 ALA N N 69 120.667 121.468 -0.801 1
1 881 . 18 1 1 A 74 74 ALA H H 69 8.407 8.456 -0.049 1
1 882 . 18 1 1 A 74 74 ALA CA C 69 54.687 55.108 -0.421 1
1 883 . 18 1 1 A 74 74 ALA HA H 69 3.981 4.091 -0.110 1
1 887 . 18 1 1 A 74 74 ALA CB C 69 18.048 18.119 -0.071 1
1 888 . 18 1 1 A 74 74 ALA C C 69 178.865 179.626 -0.761 1
1 889 . 18 1 1 A 75 75 LYS N N 70 118.628 118.120 0.508 1
1 890 . 18 1 1 A 75 75 LYS H H 70 7.930 7.920 0.010 1
1 891 . 18 1 1 A 75 75 LYS CA C 70 58.914 60.059 -1.145 1
1 892 . 18 1 1 A 75 75 LYS HA H 70 4.105 3.964 0.141 1
1 893 . 18 1 1 A 75 75 LYS CB C 70 31.806 32.235 -0.429 1
1 903 . 18 1 1 A 75 75 LYS C C 70 177.409 178.818 -1.409 1
1 904 . 18 1 1 A 76 76 ILE N N 71 120.231 119.714 0.517 1
1 905 . 18 1 1 A 76 76 ILE H H 71 7.478 7.789 -0.311 1
1 906 . 18 1 1 A 76 76 ILE CA C 71 64.835 65.038 -0.203 1
1 907 . 18 1 1 A 76 76 ILE HA H 71 3.973 3.644 0.329 1
1 908 . 18 1 1 A 76 76 ILE CB C 71 37.788 37.802 -0.014 1
1 921 . 18 1 1 A 76 76 ILE C C 71 179.734 177.611 2.123 1
1 922 . 18 1 1 A 77 77 VAL N N 72 122.505 119.467 3.038 1
1 923 . 18 1 1 A 77 77 VAL H H 72 8.325 7.831 0.494 1
1 924 . 18 1 1 A 77 77 VAL CA C 72 67.425 66.593 0.832 1
1 925 . 18 1 1 A 77 77 VAL HA H 72 3.581 3.431 0.150 1
1 926 . 18 1 1 A 77 77 VAL CB C 72 30.885 31.445 -0.560 1
1 936 . 18 1 1 A 77 77 VAL C C 72 176.939 178.109 -1.170 1
1 937 . 18 1 1 A 78 78 ASP N N 73 120.524 120.584 -0.060 1
1 938 . 18 1 1 A 78 78 ASP H H 73 8.798 8.229 0.569 1
1 939 . 18 1 1 A 78 78 ASP CA C 73 58.163 57.821 0.342 1
1 940 . 18 1 1 A 78 78 ASP HA H 73 4.392 4.411 -0.019 1
1 941 . 18 1 1 A 78 78 ASP CB C 73 41.459 41.351 0.108 1
1 945 . 18 1 1 A 78 78 ASP C C 73 178.122 178.206 -0.084 1
1 946 . 18 1 1 A 79 79 ASP N N 74 119.762 120.101 -0.339 1
1 947 . 18 1 1 A 79 79 ASP H H 74 9.318 8.048 1.270 1
1 948 . 18 1 1 A 79 79 ASP CA C 74 57.122 57.499 -0.377 1
1 949 . 18 1 1 A 79 79 ASP HA H 74 4.405 4.292 0.113 1
1 950 . 18 1 1 A 79 79 ASP CB C 74 39.850 41.007 -1.157 1
1 954 . 18 1 1 A 79 79 ASP C C 74 178.921 178.938 -0.017 1
1 955 . 18 1 1 A 80 80 THR N N 75 117.347 116.451 0.896 1
1 956 . 18 1 1 A 80 80 THR H H 75 8.084 8.269 -0.185 1
1 957 . 18 1 1 A 80 80 THR CA C 75 67.055 66.295 0.760 1
1 958 . 18 1 1 A 80 80 THR HA H 75 3.846 3.814 0.032 1
1 959 . 18 1 1 A 80 80 THR CB C 75 67.692 68.138 -0.446 1
1 965 . 18 1 1 A 80 80 THR C C 75 175.367 175.803 -0.436 1
1 966 . 18 1 1 A 81 81 TYR N N 76 123.735 121.949 1.786 1
1 967 . 18 1 1 A 81 81 TYR H H 76 8.830 8.330 0.500 1
1 968 . 18 1 1 A 81 81 TYR CA C 76 61.712 61.375 0.337 1
1 969 . 18 1 1 A 81 81 TYR HA H 76 4.269 4.491 -0.222 1
1 970 . 18 1 1 A 81 81 TYR CB C 76 38.639 38.568 0.071 1
1 974 . 18 1 1 A 81 81 TYR C C 76 176.700 177.797 -1.097 1
1 975 . 18 1 1 A 82 82 ARG N N 77 118.508 120.098 -1.590 1
1 976 . 18 1 1 A 82 82 ARG H H 77 8.755 8.674 0.081 1
1 977 . 18 1 1 A 82 82 ARG CA C 77 58.776 59.624 -0.848 1
1 978 . 18 1 1 A 82 82 ARG HA H 77 3.892 3.963 -0.071 1
1 979 . 18 1 1 A 82 82 ARG CB C 77 29.459 29.711 -0.252 1
1 995 . 18 1 1 A 82 82 ARG C C 77 178.748 179.059 -0.311 1
1 996 . 18 1 1 A 83 83 LYS N N 78 118.075 118.331 -0.256 1
1 997 . 18 1 1 A 83 83 LYS H H 78 7.696 7.882 -0.186 1
1 998 . 18 1 1 A 83 83 LYS CA C 78 58.614 59.153 -0.539 1
1 999 . 18 1 1 A 83 83 LYS HA H 78 4.031 4.084 -0.053 1
1 1000 . 18 1 1 A 83 83 LYS CB C 78 32.055 32.090 -0.035 1
1 1005 . 18 1 1 A 83 83 LYS C C 78 177.890 179.181 -1.291 1
1 1006 . 18 1 1 A 84 84 MET N N 79 118.233 119.922 -1.689 1
1 1007 . 18 1 1 A 84 84 MET H H 79 7.748 8.006 -0.258 1
1 1008 . 18 1 1 A 84 84 MET CA C 79 57.254 57.735 -0.481 1
1 1009 . 18 1 1 A 84 84 MET HA H 79 4.189 4.368 -0.179 1
1 1010 . 18 1 1 A 84 84 MET CB C 79 32.169 33.234 -1.065 1
1 1020 . 18 1 1 A 84 84 MET C C 79 177.036 176.432 0.604 1
1 1021 . 18 1 1 A 85 85 GLN N N 80 117.242 116.872 0.370 1
1 1022 . 18 1 1 A 85 85 GLN H H 80 7.843 7.879 -0.036 1
1 1023 . 18 1 1 A 85 85 GLN CA C 80 56.500 54.648 1.852 1
1 1024 . 18 1 1 A 85 85 GLN HA H 80 3.993 4.513 -0.520 1
1 1025 . 18 1 1 A 85 85 GLN CB C 80 28.124 29.211 -1.087 1
1 1035 . 18 1 1 A 85 85 GLN C C 80 176.756 173.887 2.869 1
1 1036 . 18 1 1 A 86 86 ILE N N 81 119.178 119.995 -0.817 1
1 1037 . 18 1 1 A 86 86 ILE H H 81 7.715 8.104 -0.389 1
1 1038 . 18 1 1 A 86 86 ILE CA C 81 61.995 61.050 0.945 1
1 1039 . 18 1 1 A 86 86 ILE HA H 81 3.948 4.044 -0.096 1
1 1040 . 18 1 1 A 86 86 ILE CB C 81 37.856 36.992 0.864 1
1 1052 . 18 1 1 A 86 86 ILE C C 81 176.728 174.871 1.857 1
1 1053 . 18 1 1 A 87 87 GLN N N 82 121.380 123.670 -2.290 1
1 1054 . 18 1 1 A 87 87 GLN H H 82 8.164 8.789 -0.625 1
1 1055 . 18 1 1 A 87 87 GLN CA C 82 56.075 55.940 0.135 1
1 1056 . 18 1 1 A 87 87 GLN HA H 82 4.227 4.412 -0.185 1
1 1057 . 18 1 1 A 87 87 GLN CB C 82 28.735 31.629 -2.894 1
1 1066 . 18 1 1 A 87 87 GLN C C 82 175.836 174.877 0.959 1
1 1067 . 18 1 1 A 88 88 CYS N N 83 118.668 124.299 -5.631 1
1 1068 . 18 1 1 A 88 88 CYS H H 83 8.238 9.019 -0.781 1
1 1069 . 18 1 1 A 88 88 CYS CA C 83 58.012 60.701 -2.689 1
1 1070 . 18 1 1 A 88 88 CYS HA H 83 4.475 4.112 0.363 1
1 1071 . 18 1 1 A 88 88 CYS CB C 83 27.697 27.209 0.488 1
1 1074 . 18 1 1 A 88 88 CYS C C 83 173.428 174.250 -0.822 1
1 1075 . 18 1 1 A 89 89 ALA N N 84 127.014 124.036 2.978 1
1 1076 . 18 1 1 A 89 89 ALA H H 84 8.249 7.706 0.543 1
1 1077 . 18 1 1 A 89 89 ALA CA C 84 50.615 50.620 -0.005 1
1 1078 . 18 1 1 A 89 89 ALA HA H 84 4.562 4.329 0.233 1
1 1082 . 18 1 1 A 89 89 ALA CB C 84 17.465 19.630 -2.165 1
1 1083 . 18 1 1 A 89 89 ALA C C 84 175.125 177.740 -2.615 1
1 1085 . 18 1 1 A 90 90 PRO CA C 85 63.085 63.727 -0.642 1
1 1086 . 18 1 1 A 90 90 PRO HA H 85 4.386 4.447 -0.061 1
1 1087 . 18 1 1 A 90 90 PRO CB C 85 31.491 31.947 -0.456 1
1 1095 . 18 1 1 A 90 90 PRO C C 85 176.381 177.133 -0.752 1
1 1096 . 18 1 1 A 91 91 ASP N N 86 119.209 118.992 0.217 1
1 1097 . 18 1 1 A 91 91 ASP H H 86 8.429 8.141 0.288 1
1 1098 . 18 1 1 A 91 91 ASP CA C 86 53.752 55.201 -1.449 1
1 1099 . 18 1 1 A 91 91 ASP HA H 86 4.394 4.306 0.088 1
1 1100 . 18 1 1 A 91 91 ASP CB C 86 40.319 39.716 0.603 1
1 1103 . 18 1 1 A 91 91 ASP C C 86 176.101 175.369 0.732 1
1 1104 . 18 1 1 A 92 92 LEU N N 87 122.571 117.521 5.050 1
1 1105 . 18 1 1 A 92 92 LEU H H 87 8.208 8.554 -0.346 1
1 1106 . 18 1 1 A 92 92 LEU CA C 87 55.327 55.722 -0.395 1
1 1107 . 18 1 1 A 92 92 LEU HA H 87 4.205 4.098 0.107 1
1 1108 . 18 1 1 A 92 92 LEU CB C 87 41.636 39.765 1.871 1
1 1121 . 18 1 1 A 92 92 LEU C C 87 177.406 176.145 1.261 1
1 1122 . 18 1 1 A 93 93 ALA N N 88 123.131 118.690 4.441 1
1 1123 . 18 1 1 A 93 93 ALA H H 88 8.305 7.963 0.342 1
1 1124 . 18 1 1 A 93 93 ALA CA C 88 52.823 53.206 -0.383 1
1 1125 . 18 1 1 A 93 93 ALA HA H 88 4.245 4.064 0.181 1
1 1129 . 18 1 1 A 93 93 ALA CB C 88 18.496 17.403 1.093 1
1 1130 . 18 1 1 A 93 93 ALA C C 88 178.033 176.537 1.496 1
1 1131 . 18 1 1 A 94 94 THR N N 89 112.097 102.237 9.860 1
1 1132 . 18 1 1 A 94 94 THR H H 89 7.994 8.747 -0.753 1
1 1133 . 18 1 1 A 94 94 THR CA C 89 61.892 62.991 -1.099 1
1 1134 . 18 1 1 A 94 94 THR HA H 89 4.247 3.950 0.297 1
1 1135 . 18 1 1 A 94 94 THR CB C 89 69.076 66.547 2.529 1
1 1141 . 18 1 1 A 94 94 THR C C 89 174.478 173.864 0.614 1
1 1142 . 18 1 1 A 95 95 ARG N N 90 122.704 113.368 9.336 1
1 1143 . 18 1 1 A 95 95 ARG H H 90 8.211 8.901 -0.690 1
1 1144 . 18 1 1 A 95 95 ARG CA C 90 55.803 57.608 -1.805 1
1 1145 . 18 1 1 A 95 95 ARG HA H 90 4.336 3.834 0.502 1
1 1146 . 18 1 1 A 95 95 ARG CB C 90 30.263 27.287 2.976 1
1 1157 . 18 1 1 A 95 95 ARG C C 90 175.958 174.291 1.667 1
1 1158 . 18 1 1 A 96 96 SER N N 91 116.390 110.372 6.018 1
1 1159 . 18 1 1 A 96 96 SER H H 91 8.365 8.343 0.022 1
1 1160 . 18 1 1 A 96 96 SER CA C 91 58.011 56.965 1.046 1
1 1161 . 18 1 1 A 96 96 SER HA H 91 4.383 5.018 -0.635 1
1 1162 . 18 1 1 A 96 96 SER CB C 91 63.261 64.923 -1.662 1
1 1165 . 18 1 1 A 96 96 SER C C 91 174.016 173.272 0.744 1
1 1166 . 18 1 1 A 97 97 HIS N N 92 120.507 124.278 -3.771 1
1 1167 . 18 1 1 A 97 97 HIS H H 92 8.541 8.670 -0.129 1
1 1168 . 18 1 1 A 97 97 HIS CA C 92 55.068 56.665 -1.597 1
1 1169 . 18 1 1 A 97 97 HIS HA H 92 4.707 4.780 -0.073 1
1 1170 . 18 1 1 A 97 97 HIS CB C 92 28.839 32.630 -3.791 1
1 1173 . 18 1 1 A 97 97 HIS C C 92 174.186 174.448 -0.262 1
1 1174 . 18 1 1 A 98 98 SER N N 93 116.801 114.181 2.620 1
1 1175 . 18 1 1 A 98 98 SER H H 93 8.455 8.617 -0.162 1
1 1176 . 18 1 1 A 98 98 SER CA C 93 58.046 57.580 0.466 1
1 1177 . 18 1 1 A 98 98 SER HA H 93 4.450 4.821 -0.371 1
1 1178 . 18 1 1 A 98 98 SER CB C 93 63.434 62.574 0.860 1
1 1181 . 18 1 1 A 98 98 SER C C 93 174.553 175.026 -0.473 1
1 1182 . 18 1 1 A 99 99 GLY N N 94 111.114 110.959 0.155 1
1 1183 . 18 1 1 A 99 99 GLY H H 94 8.597 8.432 0.165 1
1 1184 . 18 1 1 A 99 99 GLY CA C 94 44.888 46.065 -1.177 1
1 1185 . 18 1 1 A 99 99 GLY HA2 H 94 3.998 3.936 0.062 1
1 1186 . 18 1 1 A 99 99 GLY HA3 H 94 3.998 3.986 0.012 1
1 1187 . 18 1 1 A 99 99 GLY C C 94 173.856 174.050 -0.194 1
1 1188 . 18 1 1 A 100 100 SER N N 95 115.398 115.260 0.138 1
1 1189 . 18 1 1 A 100 100 SER H H 95 8.311 8.190 0.121 1
1 1190 . 18 1 1 A 100 100 SER CA C 95 57.909 55.844 2.065 1
1 1191 . 18 1 1 A 100 100 SER HA H 95 4.422 4.735 -0.313 1
1 1192 . 18 1 1 A 100 100 SER CB C 95 63.377 65.655 -2.278 1
1 1195 . 18 1 1 A 100 100 SER C C 95 173.695 173.230 0.465 1
1 1196 . 18 1 1 A 101 101 ASP N N 96 121.810 123.421 -1.611 1
1 1197 . 18 1 1 A 101 101 ASP H H 96 8.380 8.734 -0.354 1
1 1198 . 18 1 1 A 101 101 ASP CA C 96 53.797 56.467 -2.670 1
1 1199 . 18 1 1 A 101 101 ASP HA H 96 4.546 4.328 0.218 1
1 1200 . 18 1 1 A 101 101 ASP CB C 96 40.440 40.330 0.110 1
1 1203 . 18 1 1 A 101 101 ASP C C 96 175.547 176.517 -0.970 1
1 1204 . 18 1 1 A 102 102 PHE N N 97 120.706 116.700 4.006 1
1 1205 . 18 1 1 A 102 102 PHE H H 97 8.249 7.777 0.472 1
1 1206 . 18 1 1 A 102 102 PHE CA C 97 57.444 57.865 -0.421 1
1 1207 . 18 1 1 A 102 102 PHE HA H 97 4.546 4.584 -0.038 1
1 1208 . 18 1 1 A 102 102 PHE CB C 97 38.772 39.491 -0.719 1
1 1214 . 18 1 1 A 102 102 PHE C C 97 175.312 174.842 0.470 1
1 1215 . 18 1 1 A 103 103 SER N N 98 116.992 112.565 4.427 1
1 1216 . 18 1 1 A 103 103 SER H H 98 8.167 8.379 -0.212 1
1 1217 . 18 1 1 A 103 103 SER CA C 98 57.983 59.610 -1.627 1
1 1218 . 18 1 1 A 103 103 SER HA H 98 4.314 4.349 -0.035 1
1 1219 . 18 1 1 A 103 103 SER CB C 98 63.384 61.104 2.280 1
1 1222 . 18 1 1 A 103 103 SER C C 98 173.286 172.998 0.288 1
1 1223 . 18 1 1 A 104 104 PHE N N 99 122.000 119.099 2.901 1
1 1224 . 18 1 1 A 104 104 PHE H H 99 8.170 7.901 0.269 1
1 1225 . 18 1 1 A 104 104 PHE CA C 99 57.354 57.836 -0.482 1
1 1226 . 18 1 1 A 104 104 PHE HA H 99 4.545 4.691 -0.146 1
1 1227 . 18 1 1 A 104 104 PHE CB C 99 39.045 39.207 -0.162 1
1 1233 . 18 1 1 A 104 104 PHE C C 99 174.621 174.135 0.486 1
1 1234 . 18 1 1 A 105 105 ARG N N 100 124.796 126.230 -1.434 1
1 1235 . 18 1 1 A 105 105 ARG H H 100 8.101 8.308 -0.207 1
1 1236 . 18 1 1 A 105 105 ARG CA C 100 52.919 54.365 -1.446 1
1 1237 . 18 1 1 A 105 105 ARG HA H 100 4.542 4.275 0.267 1
1 1238 . 18 1 1 A 105 105 ARG CB C 100 29.973 30.854 -0.881 1
1 1247 . 18 1 1 A 105 105 ARG C C 100 172.924 174.647 -1.723 1
1 1249 . 18 1 1 A 106 106 PRO CA C 101 62.366 62.269 0.097 1
1 1250 . 18 1 1 A 106 106 PRO HA H 101 4.349 4.540 -0.191 1
1 1251 . 18 1 1 A 106 106 PRO CB C 101 31.609 33.359 -1.750 1
1 1259 . 18 1 1 A 106 106 PRO C C 101 176.395 176.379 0.016 1
1 1260 . 18 1 1 A 107 107 ILE N N 102 121.380 121.125 0.255 1
1 1261 . 18 1 1 A 107 107 ILE H H 102 8.350 8.437 -0.087 1
1 1262 . 18 1 1 A 107 107 ILE CA C 102 60.925 60.476 0.449 1
1 1263 . 18 1 1 A 107 107 ILE HA H 102 4.050 4.654 -0.604 1
1 1264 . 18 1 1 A 107 107 ILE CB C 102 38.165 38.934 -0.769 1
1 1277 . 18 1 1 A 107 107 ILE C C 102 175.990 176.474 -0.484 1
1 1278 . 18 1 1 A 108 108 GLU N N 103 124.836 123.655 1.181 1
1 1279 . 18 1 1 A 108 108 GLU H H 103 8.578 8.086 0.492 1
1 1280 . 18 1 1 A 108 108 GLU CA C 103 55.915 59.601 -3.686 1
1 1281 . 18 1 1 A 108 108 GLU HA H 103 4.279 3.988 0.291 1
1 1282 . 18 1 1 A 108 108 GLU CB C 103 29.902 29.377 0.525 1
1 1288 . 18 1 1 A 108 108 GLU C C 103 175.678 178.180 -2.502 1
1 1289 . 18 1 1 A 109 109 GLU N N 104 122.847 119.070 3.777 1
1 1290 . 18 1 1 A 109 109 GLU H H 104 8.459 7.736 0.723 1
1 1291 . 18 1 1 A 109 109 GLU CA C 104 55.845 55.923 -0.078 1
1 1292 . 18 1 1 A 109 109 GLU HA H 104 4.273 4.304 -0.031 1
1 1293 . 18 1 1 A 109 109 GLU CB C 104 29.990 28.665 1.325 1
1 1299 . 18 1 1 A 109 109 GLU C C 104 174.661 175.197 -0.536 1
1 3 . 19 1 1 A 2 2 SER N N -4 115.528 117.994 -2.466 1
1 4 . 19 1 1 A 2 2 SER H H -4 8.751 8.342 0.409 1
1 5 . 19 1 1 A 2 2 SER CA C -4 57.819 59.121 -1.302 1
1 6 . 19 1 1 A 2 2 SER HA H -4 4.461 4.473 -0.012 1
1 7 . 19 1 1 A 2 2 SER CB C -4 63.389 65.629 -2.240 1
1 8 . 19 1 1 A 2 2 SER C C -4 173.924 172.864 1.060 1
1 9 . 19 1 1 A 3 3 HIS N N -3 120.998 115.550 5.448 1
1 10 . 19 1 1 A 3 3 HIS H H -3 8.769 7.775 0.994 1
1 11 . 19 1 1 A 3 3 HIS CA C -3 55.238 54.557 0.681 1
1 12 . 19 1 1 A 3 3 HIS HA H -3 4.703 4.959 -0.256 1
1 13 . 19 1 1 A 3 3 HIS CB C -3 28.916 31.523 -2.607 1
1 16 . 19 1 1 A 3 3 HIS C C -3 174.207 175.138 -0.931 1
1 17 . 19 1 1 A 4 4 MET N N -2 122.227 123.000 -0.773 1
1 18 . 19 1 1 A 4 4 MET H H -2 8.518 8.778 -0.260 1
1 19 . 19 1 1 A 4 4 MET CA C -2 55.003 56.314 -1.311 1
1 20 . 19 1 1 A 4 4 MET HA H -2 4.420 4.011 0.409 1
1 21 . 19 1 1 A 4 4 MET CB C -2 32.578 31.252 1.326 1
1 31 . 19 1 1 A 4 4 MET C C -2 175.475 175.517 -0.042 1
1 49 . 19 1 1 A 7 7 ALA N N 2 124.543 122.761 1.782 1
1 50 . 19 1 1 A 7 7 ALA H H 2 8.453 8.432 0.021 1
1 51 . 19 1 1 A 7 7 ALA CA C 2 53.203 55.217 -2.014 1
1 52 . 19 1 1 A 7 7 ALA HA H 2 4.211 3.997 0.214 1
1 56 . 19 1 1 A 7 7 ALA CB C 2 18.387 18.387 0.000 1
1 57 . 19 1 1 A 7 7 ALA C C 2 178.091 179.513 -1.422 1
1 58 . 19 1 1 A 8 8 ASP N N 3 118.618 118.334 0.284 1
1 59 . 19 1 1 A 8 8 ASP H H 3 8.064 7.793 0.271 1
1 60 . 19 1 1 A 8 8 ASP CA C 3 54.381 57.212 -2.831 1
1 61 . 19 1 1 A 8 8 ASP HA H 3 4.551 4.463 0.088 1
1 62 . 19 1 1 A 8 8 ASP CB C 3 40.446 40.752 -0.306 1
1 65 . 19 1 1 A 8 8 ASP C C 3 176.662 178.549 -1.887 1
1 66 . 19 1 1 A 9 9 LEU N N 4 123.427 121.076 2.351 1
1 67 . 19 1 1 A 9 9 LEU H H 4 8.202 7.718 0.484 1
1 68 . 19 1 1 A 9 9 LEU CA C 4 57.491 57.985 -0.494 1
1 69 . 19 1 1 A 9 9 LEU HA H 4 4.084 4.092 -0.008 1
1 70 . 19 1 1 A 9 9 LEU CB C 4 41.745 41.664 0.081 1
1 80 . 19 1 1 A 9 9 LEU C C 4 178.873 178.736 0.137 1
1 81 . 19 1 1 A 10 10 VAL N N 5 119.385 119.188 0.197 1
1 82 . 19 1 1 A 10 10 VAL H H 5 8.186 8.698 -0.512 1
1 83 . 19 1 1 A 10 10 VAL CA C 5 66.686 66.589 0.097 1
1 84 . 19 1 1 A 10 10 VAL HA H 5 3.435 3.524 -0.089 1
1 85 . 19 1 1 A 10 10 VAL CB C 5 31.135 31.614 -0.479 1
1 95 . 19 1 1 A 10 10 VAL C C 5 177.408 177.810 -0.402 1
1 96 . 19 1 1 A 11 11 SER N N 6 115.027 116.136 -1.109 1
1 97 . 19 1 1 A 11 11 SER H H 6 8.252 8.139 0.113 1
1 98 . 19 1 1 A 11 11 SER CA C 6 61.229 62.195 -0.966 1
1 99 . 19 1 1 A 11 11 SER HA H 6 4.068 4.114 -0.046 1
1 100 . 19 1 1 A 11 11 SER CB C 6 62.054 62.681 -0.627 1
1 103 . 19 1 1 A 11 11 SER C C 6 176.036 176.308 -0.272 1
1 104 . 19 1 1 A 12 12 SER N N 7 115.144 115.485 -0.341 1
1 105 . 19 1 1 A 12 12 SER H H 7 8.053 8.367 -0.314 1
1 106 . 19 1 1 A 12 12 SER CA C 7 60.212 61.450 -1.238 1
1 107 . 19 1 1 A 12 12 SER HA H 7 4.309 4.202 0.107 1
1 108 . 19 1 1 A 12 12 SER CB C 7 62.720 62.568 0.152 1
1 111 . 19 1 1 A 12 12 SER C C 7 176.540 176.769 -0.229 1
1 112 . 19 1 1 A 13 13 CYS N N 8 118.211 119.910 -1.699 1
1 113 . 19 1 1 A 13 13 CYS H H 8 7.919 8.420 -0.501 1
1 114 . 19 1 1 A 13 13 CYS CA C 8 63.729 63.914 -0.185 1
1 115 . 19 1 1 A 13 13 CYS HA H 8 4.046 4.053 -0.007 1
1 116 . 19 1 1 A 13 13 CYS CB C 8 26.703 27.221 -0.518 1
1 119 . 19 1 1 A 13 13 CYS C C 8 175.645 177.310 -1.665 1
1 120 . 19 1 1 A 14 14 LYS N N 9 120.074 121.352 -1.278 1
1 121 . 19 1 1 A 14 14 LYS H H 9 8.632 7.889 0.743 1
1 122 . 19 1 1 A 14 14 LYS CA C 9 60.438 59.496 0.942 1
1 123 . 19 1 1 A 14 14 LYS HA H 9 3.668 4.039 -0.371 1
1 124 . 19 1 1 A 14 14 LYS CB C 9 31.655 32.164 -0.509 1
1 136 . 19 1 1 A 14 14 LYS C C 9 177.590 177.986 -0.396 1
1 137 . 19 1 1 A 15 15 ASP N N 10 117.611 119.958 -2.347 1
1 138 . 19 1 1 A 15 15 ASP H H 10 7.732 8.318 -0.586 1
1 139 . 19 1 1 A 15 15 ASP CA C 10 56.325 57.465 -1.140 1
1 140 . 19 1 1 A 15 15 ASP HA H 10 4.320 4.253 0.067 1
1 141 . 19 1 1 A 15 15 ASP CB C 10 40.092 41.310 -1.218 1
1 144 . 19 1 1 A 15 15 ASP C C 10 177.731 178.596 -0.865 1
1 145 . 19 1 1 A 16 16 LYS N N 11 117.878 117.815 0.063 1
1 146 . 19 1 1 A 16 16 LYS H H 11 7.254 8.119 -0.865 1
1 147 . 19 1 1 A 16 16 LYS CA C 11 58.984 59.114 -0.130 1
1 148 . 19 1 1 A 16 16 LYS HA H 11 3.662 4.147 -0.485 1
1 149 . 19 1 1 A 16 16 LYS CB C 11 32.933 32.401 0.532 1
1 158 . 19 1 1 A 16 16 LYS C C 11 177.350 178.966 -1.616 1
1 159 . 19 1 1 A 17 17 LEU N N 12 115.652 121.299 -5.647 1
1 160 . 19 1 1 A 17 17 LEU H H 12 8.138 8.316 -0.178 1
1 161 . 19 1 1 A 17 17 LEU CA C 12 56.722 58.006 -1.284 1
1 162 . 19 1 1 A 17 17 LEU HA H 12 3.588 4.181 -0.593 1
1 163 . 19 1 1 A 17 17 LEU CB C 12 41.870 41.184 0.686 1
1 174 . 19 1 1 A 17 17 LEU C C 12 177.545 178.597 -1.052 1
1 175 . 19 1 1 A 18 18 ALA N N 13 116.045 121.162 -5.117 1
1 176 . 19 1 1 A 18 18 ALA H H 13 7.080 8.601 -1.521 1
1 177 . 19 1 1 A 18 18 ALA CA C 13 53.475 54.807 -1.332 1
1 178 . 19 1 1 A 18 18 ALA HA H 13 3.984 4.127 -0.143 1
1 182 . 19 1 1 A 18 18 ALA CB C 13 18.121 18.518 -0.397 1
1 183 . 19 1 1 A 18 18 ALA C C 13 178.298 179.406 -1.108 1
1 184 . 19 1 1 A 19 19 TYR N N 14 115.556 119.842 -4.286 1
1 185 . 19 1 1 A 19 19 TYR H H 14 7.675 7.816 -0.141 1
1 186 . 19 1 1 A 19 19 TYR CA C 14 58.741 60.312 -1.571 1
1 187 . 19 1 1 A 19 19 TYR HA H 14 4.323 4.196 0.127 1
1 188 . 19 1 1 A 19 19 TYR CB C 14 38.610 38.909 -0.299 1
1 193 . 19 1 1 A 19 19 TYR C C 14 176.007 175.804 0.203 1
1 194 . 19 1 1 A 20 20 PHE N N 15 118.275 119.110 -0.835 1
1 195 . 19 1 1 A 20 20 PHE H H 15 7.406 7.776 -0.370 1
1 196 . 19 1 1 A 20 20 PHE CA C 15 56.542 57.254 -0.712 1
1 197 . 19 1 1 A 20 20 PHE HA H 15 4.652 4.711 -0.059 1
1 198 . 19 1 1 A 20 20 PHE CB C 15 38.561 40.359 -1.798 1
1 202 . 19 1 1 A 20 20 PHE C C 15 176.160 175.745 0.415 1
1 203 . 19 1 1 A 21 21 ARG N N 16 119.140 122.681 -3.541 1
1 204 . 19 1 1 A 21 21 ARG H H 16 8.714 8.737 -0.023 1
1 205 . 19 1 1 A 21 21 ARG CA C 16 54.474 56.427 -1.953 1
1 206 . 19 1 1 A 21 21 ARG HA H 16 4.747 4.342 0.405 1
1 207 . 19 1 1 A 21 21 ARG CB C 16 30.097 31.267 -1.170 1
1 223 . 19 1 1 A 21 21 ARG C C 16 177.095 177.773 -0.678 1
1 224 . 19 1 1 A 22 22 ILE N N 17 120.734 122.247 -1.513 1
1 225 . 19 1 1 A 22 22 ILE H H 17 8.708 8.809 -0.101 1
1 226 . 19 1 1 A 22 22 ILE CA C 17 65.114 64.549 0.565 1
1 227 . 19 1 1 A 22 22 ILE HA H 17 3.740 3.707 0.033 1
1 228 . 19 1 1 A 22 22 ILE CB C 17 36.768 37.626 -0.858 1
1 241 . 19 1 1 A 22 22 ILE C C 17 176.639 177.990 -1.351 1
1 242 . 19 1 1 A 23 23 LYS N N 18 118.184 122.048 -3.864 1
1 243 . 19 1 1 A 23 23 LYS H H 18 8.267 8.216 0.051 1
1 244 . 19 1 1 A 23 23 LYS CA C 18 59.978 59.715 0.263 1
1 245 . 19 1 1 A 23 23 LYS HA H 18 3.909 3.905 0.004 1
1 246 . 19 1 1 A 23 23 LYS CB C 18 32.191 32.452 -0.261 1
1 258 . 19 1 1 A 23 23 LYS C C 18 178.185 178.857 -0.672 1
1 259 . 19 1 1 A 24 24 GLU N N 19 117.651 119.082 -1.431 1
1 260 . 19 1 1 A 24 24 GLU H H 19 7.198 7.783 -0.585 1
1 261 . 19 1 1 A 24 24 GLU CA C 19 60.601 58.979 1.622 1
1 262 . 19 1 1 A 24 24 GLU HA H 19 4.056 3.911 0.145 1
1 263 . 19 1 1 A 24 24 GLU CB C 19 28.859 29.136 -0.277 1
1 269 . 19 1 1 A 24 24 GLU C C 19 178.542 179.023 -0.481 1
1 270 . 19 1 1 A 25 25 LEU N N 20 119.236 120.159 -0.923 1
1 271 . 19 1 1 A 25 25 LEU H H 20 7.980 8.250 -0.270 1
1 272 . 19 1 1 A 25 25 LEU CA C 20 57.812 58.040 -0.228 1
1 273 . 19 1 1 A 25 25 LEU HA H 20 3.947 3.985 -0.038 1
1 274 . 19 1 1 A 25 25 LEU CB C 20 42.172 41.344 0.828 1
1 281 . 19 1 1 A 25 25 LEU C C 20 178.081 179.548 -1.467 1
1 282 . 19 1 1 A 26 26 LYS N N 21 117.457 121.092 -3.635 1
1 283 . 19 1 1 A 26 26 LYS H H 21 8.770 8.447 0.323 1
1 284 . 19 1 1 A 26 26 LYS CA C 21 60.741 59.597 1.144 1
1 285 . 19 1 1 A 26 26 LYS HA H 21 3.806 4.009 -0.203 1
1 286 . 19 1 1 A 26 26 LYS CB C 21 31.876 31.971 -0.095 1
1 287 . 19 1 1 A 26 26 LYS C C 21 177.659 178.606 -0.947 1
1 288 . 19 1 1 A 27 27 ASP N N 22 119.023 119.528 -0.505 1
1 289 . 19 1 1 A 27 27 ASP H H 22 7.671 8.234 -0.563 1
1 290 . 19 1 1 A 27 27 ASP CA C 22 56.971 57.191 -0.220 1
1 291 . 19 1 1 A 27 27 ASP HA H 22 4.409 4.745 -0.336 1
1 292 . 19 1 1 A 27 27 ASP CB C 22 40.196 40.487 -0.291 1
1 295 . 19 1 1 A 27 27 ASP C C 22 180.796 178.840 1.956 1
1 296 . 19 1 1 A 28 28 ILE N N 23 119.318 120.212 -0.894 1
1 297 . 19 1 1 A 28 28 ILE H H 23 8.039 7.870 0.169 1
1 298 . 19 1 1 A 28 28 ILE CA C 23 65.328 65.614 -0.286 1
1 299 . 19 1 1 A 28 28 ILE HA H 23 3.601 3.624 -0.023 1
1 300 . 19 1 1 A 28 28 ILE CB C 23 37.309 38.165 -0.856 1
1 313 . 19 1 1 A 28 28 ILE C C 23 177.251 178.186 -0.935 1
1 314 . 19 1 1 A 29 29 LEU N N 24 120.356 120.884 -0.528 1
1 315 . 19 1 1 A 29 29 LEU H H 24 8.220 8.289 -0.069 1
1 316 . 19 1 1 A 29 29 LEU CA C 24 58.535 58.038 0.497 1
1 317 . 19 1 1 A 29 29 LEU HA H 24 3.824 4.015 -0.191 1
1 318 . 19 1 1 A 29 29 LEU CB C 24 39.478 41.239 -1.761 1
1 326 . 19 1 1 A 29 29 LEU C C 24 178.599 178.632 -0.033 1
1 327 . 19 1 1 A 30 30 ASN N N 25 117.446 118.485 -1.039 1
1 328 . 19 1 1 A 30 30 ASN H H 25 8.687 9.021 -0.334 1
1 329 . 19 1 1 A 30 30 ASN CA C 25 56.241 55.817 0.424 1
1 330 . 19 1 1 A 30 30 ASN HA H 25 4.520 4.477 0.043 1
1 331 . 19 1 1 A 30 30 ASN CB C 25 38.899 37.917 0.982 1
1 338 . 19 1 1 A 30 30 ASN C C 25 178.958 177.289 1.669 1
1 339 . 19 1 1 A 31 31 GLN N N 26 119.946 118.214 1.732 1
1 340 . 19 1 1 A 31 31 GLN H H 26 8.184 7.803 0.381 1
1 341 . 19 1 1 A 31 31 GLN CA C 26 58.779 58.418 0.361 1
1 342 . 19 1 1 A 31 31 GLN HA H 26 4.055 4.181 -0.126 1
1 343 . 19 1 1 A 31 31 GLN CB C 26 29.109 28.187 0.922 1
1 353 . 19 1 1 A 31 31 GLN C C 26 177.586 179.154 -1.568 1
1 354 . 19 1 1 A 32 32 LEU N N 27 116.979 117.943 -0.964 1
1 355 . 19 1 1 A 32 32 LEU H H 27 7.893 7.670 0.223 1
1 356 . 19 1 1 A 32 32 LEU CA C 27 54.393 56.042 -1.649 1
1 357 . 19 1 1 A 32 32 LEU HA H 27 4.240 4.141 0.099 1
1 358 . 19 1 1 A 32 32 LEU CB C 27 42.566 42.511 0.055 1
1 369 . 19 1 1 A 32 32 LEU C C 27 175.693 177.156 -1.463 1
1 370 . 19 1 1 A 33 33 GLY N N 28 108.299 106.508 1.791 1
1 371 . 19 1 1 A 33 33 GLY H H 28 7.834 7.638 0.196 1
1 372 . 19 1 1 A 33 33 GLY CA C 28 45.707 46.273 -0.566 1
1 373 . 19 1 1 A 33 33 GLY HA2 H 28 3.952 3.927 0.025 1
1 374 . 19 1 1 A 33 33 GLY HA3 H 28 3.952 3.928 0.024 1
1 375 . 19 1 1 A 33 33 GLY C C 28 174.317 174.319 -0.002 1
1 376 . 19 1 1 A 34 34 LEU N N 29 120.833 122.658 -1.825 1
1 377 . 19 1 1 A 34 34 LEU H H 29 7.986 7.594 0.392 1
1 378 . 19 1 1 A 34 34 LEU CA C 29 51.600 51.643 -0.043 1
1 379 . 19 1 1 A 34 34 LEU HA H 29 4.760 4.638 0.122 1
1 380 . 19 1 1 A 34 34 LEU CB C 29 43.531 42.860 0.671 1
1 392 . 19 1 1 A 35 35 PRO CA C 30 62.741 62.309 0.432 1
1 393 . 19 1 1 A 35 35 PRO HA H 30 4.365 4.638 -0.273 1
1 394 . 19 1 1 A 35 35 PRO CB C 30 31.856 29.221 2.635 1
1 402 . 19 1 1 A 35 35 PRO C C 30 177.334 175.188 2.146 1
1 403 . 19 1 1 A 36 36 LYS N N 31 117.589 122.443 -4.854 1
1 404 . 19 1 1 A 36 36 LYS H H 31 8.380 8.699 -0.319 1
1 405 . 19 1 1 A 36 36 LYS CA C 31 55.569 56.839 -1.270 1
1 406 . 19 1 1 A 36 36 LYS HA H 31 4.288 4.558 -0.270 1
1 407 . 19 1 1 A 36 36 LYS CB C 31 33.225 35.575 -2.350 1
1 417 . 19 1 1 A 36 36 LYS C C 31 174.406 176.195 -1.789 1
1 418 . 19 1 1 A 37 37 GLN N N 32 118.260 118.255 0.005 1
1 419 . 19 1 1 A 37 37 GLN H H 32 7.698 8.056 -0.358 1
1 420 . 19 1 1 A 37 37 GLN CA C 32 55.716 58.041 -2.325 1
1 421 . 19 1 1 A 37 37 GLN HA H 32 4.392 4.258 0.134 1
1 422 . 19 1 1 A 37 37 GLN CB C 32 28.251 27.431 0.820 1
1 432 . 19 1 1 A 37 37 GLN C C 32 175.122 174.281 0.841 1
1 433 . 19 1 1 A 38 38 GLY N N 33 109.855 108.528 1.327 1
1 434 . 19 1 1 A 38 38 GLY H H 33 8.449 8.503 -0.054 1
1 435 . 19 1 1 A 38 38 GLY CA C 33 43.315 44.611 -1.296 1
1 436 . 19 1 1 A 38 38 GLY HA2 H 33 4.600 4.158 0.442 1
1 437 . 19 1 1 A 38 38 GLY HA3 H 33 3.803 4.159 -0.356 1
1 438 . 19 1 1 A 38 38 GLY C C 33 173.537 173.015 0.522 1
1 439 . 19 1 1 A 39 39 LYS N N 34 117.627 118.895 -1.268 1
1 440 . 19 1 1 A 39 39 LYS H H 34 8.649 8.391 0.258 1
1 441 . 19 1 1 A 39 39 LYS CA C 34 54.916 56.054 -1.138 1
1 442 . 19 1 1 A 39 39 LYS HA H 34 4.395 4.329 0.066 1
1 443 . 19 1 1 A 39 39 LYS CB C 34 32.893 33.257 -0.364 1
1 455 . 19 1 1 A 39 39 LYS C C 34 176.803 177.606 -0.803 1
1 456 . 19 1 1 A 40 40 LYS N N 35 121.705 119.217 2.488 1
1 457 . 19 1 1 A 40 40 LYS H H 35 8.920 8.899 0.021 1
1 458 . 19 1 1 A 40 40 LYS CA C 35 61.574 59.771 1.803 1
1 459 . 19 1 1 A 40 40 LYS HA H 35 3.599 3.918 -0.319 1
1 460 . 19 1 1 A 40 40 LYS CB C 35 31.924 32.215 -0.291 1
1 472 . 19 1 1 A 40 40 LYS C C 35 177.366 178.407 -1.041 1
1 473 . 19 1 1 A 41 41 GLN N N 36 114.634 119.164 -4.530 1
1 474 . 19 1 1 A 41 41 GLN H H 36 9.017 7.855 1.162 1
1 475 . 19 1 1 A 41 41 GLN CA C 36 57.636 58.938 -1.302 1
1 476 . 19 1 1 A 41 41 GLN HA H 36 3.731 4.005 -0.274 1
1 477 . 19 1 1 A 41 41 GLN CB C 36 27.865 28.128 -0.263 1
1 487 . 19 1 1 A 41 41 GLN C C 36 176.872 178.364 -1.492 1
1 488 . 19 1 1 A 42 42 ASP N N 37 115.980 120.402 -4.422 1
1 489 . 19 1 1 A 42 42 ASP H H 37 7.047 8.133 -1.086 1
1 490 . 19 1 1 A 42 42 ASP CA C 37 56.593 57.481 -0.888 1
1 491 . 19 1 1 A 42 42 ASP HA H 37 4.297 4.334 -0.037 1
1 492 . 19 1 1 A 42 42 ASP CB C 37 39.839 40.800 -0.961 1
1 495 . 19 1 1 A 42 42 ASP C C 37 178.454 178.894 -0.440 1
1 496 . 19 1 1 A 43 43 LEU N N 38 119.074 120.300 -1.226 1
1 497 . 19 1 1 A 43 43 LEU H H 38 7.725 8.220 -0.495 1
1 498 . 19 1 1 A 43 43 LEU CA C 38 57.713 58.008 -0.295 1
1 499 . 19 1 1 A 43 43 LEU HA H 38 3.787 3.973 -0.186 1
1 500 . 19 1 1 A 43 43 LEU CB C 38 40.214 42.211 -1.997 1
1 513 . 19 1 1 A 43 43 LEU C C 38 177.872 178.989 -1.117 1
1 514 . 19 1 1 A 44 44 ILE N N 39 118.343 118.664 -0.321 1
1 515 . 19 1 1 A 44 44 ILE H H 39 7.867 8.119 -0.252 1
1 516 . 19 1 1 A 44 44 ILE CA C 39 66.090 65.789 0.301 1
1 517 . 19 1 1 A 44 44 ILE HA H 39 3.321 3.508 -0.187 1
1 518 . 19 1 1 A 44 44 ILE CB C 39 38.013 37.813 0.200 1
1 528 . 19 1 1 A 44 44 ILE C C 39 177.711 177.771 -0.060 1
1 529 . 19 1 1 A 45 45 ASP N N 40 118.533 120.933 -2.400 1
1 530 . 19 1 1 A 45 45 ASP H H 40 8.503 8.441 0.062 1
1 531 . 19 1 1 A 45 45 ASP CA C 40 57.009 57.345 -0.336 1
1 532 . 19 1 1 A 45 45 ASP HA H 40 4.272 4.438 -0.166 1
1 533 . 19 1 1 A 45 45 ASP CB C 40 39.419 40.823 -1.404 1
1 536 . 19 1 1 A 45 45 ASP C C 40 178.392 178.909 -0.517 1
1 537 . 19 1 1 A 46 46 ARG N N 41 120.911 119.843 1.068 1
1 538 . 19 1 1 A 46 46 ARG H H 41 7.717 8.024 -0.307 1
1 539 . 19 1 1 A 46 46 ARG CA C 41 59.048 59.713 -0.665 1
1 540 . 19 1 1 A 46 46 ARG HA H 41 3.991 4.042 -0.051 1
1 541 . 19 1 1 A 46 46 ARG CB C 41 29.817 30.017 -0.200 1
1 550 . 19 1 1 A 46 46 ARG C C 41 177.537 178.246 -0.709 1
1 551 . 19 1 1 A 47 47 VAL N N 42 117.438 119.036 -1.598 1
1 552 . 19 1 1 A 47 47 VAL H H 42 7.445 7.900 -0.455 1
1 553 . 19 1 1 A 47 47 VAL CA C 42 65.881 66.404 -0.523 1
1 554 . 19 1 1 A 47 47 VAL HA H 42 3.442 3.689 -0.247 1
1 555 . 19 1 1 A 47 47 VAL CB C 42 30.931 31.744 -0.813 1
1 565 . 19 1 1 A 47 47 VAL C C 42 177.671 178.241 -0.570 1
1 566 . 19 1 1 A 48 48 LEU N N 43 117.085 117.911 -0.826 1
1 567 . 19 1 1 A 48 48 LEU H H 43 8.466 8.020 0.446 1
1 568 . 19 1 1 A 48 48 LEU CA C 43 57.248 57.814 -0.566 1
1 569 . 19 1 1 A 48 48 LEU HA H 43 3.847 3.933 -0.086 1
1 570 . 19 1 1 A 48 48 LEU CB C 43 40.720 41.075 -0.355 1
1 583 . 19 1 1 A 48 48 LEU C C 43 179.581 179.415 0.166 1
1 584 . 19 1 1 A 49 49 ALA N N 44 120.479 121.828 -1.349 1
1 585 . 19 1 1 A 49 49 ALA H H 44 7.953 8.136 -0.183 1
1 586 . 19 1 1 A 49 49 ALA CA C 44 53.997 55.032 -1.035 1
1 587 . 19 1 1 A 49 49 ALA HA H 44 4.123 4.077 0.046 1
1 591 . 19 1 1 A 49 49 ALA CB C 44 17.631 18.407 -0.776 1
1 592 . 19 1 1 A 49 49 ALA C C 44 178.926 180.392 -1.466 1
1 593 . 19 1 1 A 50 50 LEU N N 45 115.306 119.983 -4.677 1
1 594 . 19 1 1 A 50 50 LEU H H 45 7.428 8.009 -0.581 1
1 595 . 19 1 1 A 50 50 LEU CA C 45 55.652 57.733 -2.081 1
1 596 . 19 1 1 A 50 50 LEU HA H 45 4.219 4.054 0.165 1
1 597 . 19 1 1 A 50 50 LEU CB C 45 41.846 42.004 -0.158 1
1 610 . 19 1 1 A 50 50 LEU C C 45 177.840 179.391 -1.551 1
1 611 . 19 1 1 A 51 51 LEU N N 46 115.880 117.355 -1.475 1
1 612 . 19 1 1 A 51 51 LEU H H 46 7.642 8.210 -0.568 1
1 613 . 19 1 1 A 51 51 LEU CA C 46 54.693 56.639 -1.946 1
1 614 . 19 1 1 A 51 51 LEU HA H 46 4.265 4.156 0.109 1
1 615 . 19 1 1 A 51 51 LEU CB C 46 42.040 41.700 0.340 1
1 625 . 19 1 1 A 51 51 LEU C C 46 176.015 177.829 -1.814 1
1 626 . 19 1 1 A 52 52 THR N N 47 109.201 112.541 -3.340 1
1 627 . 19 1 1 A 52 52 THR H H 47 7.516 7.508 0.008 1
1 628 . 19 1 1 A 52 52 THR CA C 47 60.834 64.509 -3.675 1
1 629 . 19 1 1 A 52 52 THR HA H 47 4.348 4.317 0.031 1
1 630 . 19 1 1 A 52 52 THR CB C 47 69.704 69.228 0.476 1
1 636 . 19 1 1 A 52 52 THR C C 47 173.733 175.474 -1.741 1
1 637 . 19 1 1 A 53 53 ASP N N 48 122.188 120.113 2.075 1
1 638 . 19 1 1 A 53 53 ASP H H 48 8.280 8.456 -0.176 1
1 639 . 19 1 1 A 53 53 ASP CA C 48 54.185 56.673 -2.488 1
1 640 . 19 1 1 A 53 53 ASP HA H 48 4.699 4.412 0.287 1
1 641 . 19 1 1 A 53 53 ASP CB C 48 40.749 40.504 0.245 1
1 645 . 19 1 1 A 53 53 ASP C C 48 176.000 176.696 -0.696 1
1 646 . 19 1 1 A 54 54 GLU N N 49 121.966 118.269 3.697 1
1 647 . 19 1 1 A 54 54 GLU H H 49 8.588 7.758 0.830 1
1 648 . 19 1 1 A 54 54 GLU CA C 49 56.604 55.642 0.962 1
1 649 . 19 1 1 A 54 54 GLU HA H 49 4.229 4.649 -0.420 1
1 650 . 19 1 1 A 54 54 GLU CB C 49 29.642 30.758 -1.116 1
1 656 . 19 1 1 A 54 54 GLU C C 49 176.589 176.817 -0.228 1
1 657 . 19 1 1 A 55 55 GLN N N 50 120.727 119.071 1.656 1
1 658 . 19 1 1 A 55 55 GLN H H 50 8.642 7.679 0.963 1
1 659 . 19 1 1 A 55 55 GLN CA C 50 56.165 55.580 0.585 1
1 660 . 19 1 1 A 55 55 GLN HA H 50 4.226 4.202 0.024 1
1 661 . 19 1 1 A 55 55 GLN CB C 50 28.555 29.116 -0.561 1
1 671 . 19 1 1 A 55 55 GLN C C 50 176.554 176.804 -0.250 1
1 672 . 19 1 1 A 56 56 GLY N N 51 109.357 108.903 0.454 1
1 673 . 19 1 1 A 56 56 GLY H H 51 8.519 8.008 0.511 1
1 674 . 19 1 1 A 56 56 GLY CA C 51 45.276 46.633 -1.357 1
1 675 . 19 1 1 A 56 56 GLY HA2 H 51 3.951 3.889 0.062 1
1 676 . 19 1 1 A 56 56 GLY HA3 H 51 3.815 3.919 -0.104 1
1 677 . 19 1 1 A 56 56 GLY C C 51 174.146 175.222 -1.076 1
1 678 . 19 1 1 A 57 57 GLN N N 52 119.207 117.266 1.941 1
1 679 . 19 1 1 A 57 57 GLN H H 52 8.263 8.226 0.037 1
1 680 . 19 1 1 A 57 57 GLN CA C 52 55.650 56.263 -0.613 1
1 681 . 19 1 1 A 57 57 GLN HA H 52 4.217 4.422 -0.205 1
1 682 . 19 1 1 A 57 57 GLN CB C 52 28.723 29.688 -0.965 1
1 692 . 19 1 1 A 57 57 GLN C C 52 175.872 176.844 -0.972 1
1 693 . 19 1 1 A 58 58 ARG N N 53 120.525 114.008 6.517 1
1 694 . 19 1 1 A 58 58 ARG H H 53 8.279 8.031 0.248 1
1 695 . 19 1 1 A 58 58 ARG CA C 53 55.854 55.847 0.007 1
1 696 . 19 1 1 A 58 58 ARG HA H 53 4.204 4.578 -0.374 1
1 697 . 19 1 1 A 58 58 ARG CB C 53 29.944 30.779 -0.835 1
1 708 . 19 1 1 A 58 58 ARG C C 53 175.819 175.575 0.244 1
1 709 . 19 1 1 A 59 59 HIS N N 54 118.905 117.111 1.794 1
1 710 . 19 1 1 A 59 59 HIS H H 54 8.397 7.624 0.773 1
1 711 . 19 1 1 A 59 59 HIS CA C 54 55.130 55.196 -0.066 1
1 712 . 19 1 1 A 59 59 HIS HA H 54 4.554 4.731 -0.177 1
1 713 . 19 1 1 A 59 59 HIS CB C 54 28.953 31.014 -2.061 1
1 716 . 19 1 1 A 59 59 HIS C C 54 174.248 173.212 1.036 1
1 717 . 19 1 1 A 60 60 HIS N N 55 119.527 119.017 0.510 1
1 718 . 19 1 1 A 60 60 HIS H H 55 8.493 8.374 0.119 1
1 719 . 19 1 1 A 60 60 HIS CA C 55 55.589 55.599 -0.010 1
1 720 . 19 1 1 A 60 60 HIS HA H 55 4.553 4.003 0.550 1
1 721 . 19 1 1 A 60 60 HIS CB C 55 28.913 29.977 -1.064 1
1 724 . 19 1 1 A 60 60 HIS C C 55 174.759 175.251 -0.492 1
1 725 . 19 1 1 A 61 61 GLY N N 56 110.215 107.261 2.954 1
1 726 . 19 1 1 A 61 61 GLY H H 56 8.604 7.593 1.011 1
1 727 . 19 1 1 A 61 61 GLY CA C 56 44.977 45.034 -0.057 1
1 728 . 19 1 1 A 61 61 GLY HA2 H 56 3.958 3.815 0.143 1
1 729 . 19 1 1 A 61 61 GLY HA3 H 56 3.833 3.818 0.015 1
1 730 . 19 1 1 A 61 61 GLY C C 56 173.752 174.553 -0.801 1
1 731 . 19 1 1 A 62 62 TRP N N 57 120.700 118.056 2.644 1
1 732 . 19 1 1 A 62 62 TRP H H 57 8.175 7.226 0.949 1
1 733 . 19 1 1 A 62 62 TRP CA C 57 56.935 58.091 -1.156 1
1 734 . 19 1 1 A 62 62 TRP HA H 57 4.658 4.844 -0.186 1
1 735 . 19 1 1 A 62 62 TRP CB C 57 29.018 30.954 -1.936 1
1 750 . 19 1 1 A 62 62 TRP C C 57 176.442 177.263 -0.821 1
1 751 . 19 1 1 A 63 63 GLY N N 58 110.195 108.570 1.625 1
1 752 . 19 1 1 A 63 63 GLY H H 58 8.452 8.551 -0.099 1
1 753 . 19 1 1 A 63 63 GLY CA C 58 45.052 46.673 -1.621 1
1 754 . 19 1 1 A 63 63 GLY HA2 H 58 3.925 4.008 -0.083 1
1 755 . 19 1 1 A 63 63 GLY HA3 H 58 3.833 4.111 -0.278 1
1 756 . 19 1 1 A 63 63 GLY C C 58 173.738 174.421 -0.683 1
1 757 . 19 1 1 A 64 64 ARG N N 59 120.374 119.820 0.554 1
1 758 . 19 1 1 A 64 64 ARG H H 59 8.136 8.407 -0.271 1
1 759 . 19 1 1 A 64 64 ARG CA C 59 55.779 57.158 -1.379 1
1 760 . 19 1 1 A 64 64 ARG HA H 59 4.287 4.133 0.154 1
1 761 . 19 1 1 A 64 64 ARG CB C 59 30.244 29.378 0.866 1
1 772 . 19 1 1 A 64 64 ARG C C 59 176.269 175.319 0.950 1
1 773 . 19 1 1 A 65 65 LYS N N 60 121.590 118.522 3.068 1
1 774 . 19 1 1 A 65 65 LYS H H 60 8.483 8.491 -0.008 1
1 775 . 19 1 1 A 65 65 LYS CA C 60 56.435 57.170 -0.735 1
1 776 . 19 1 1 A 65 65 LYS HA H 60 4.226 4.045 0.181 1
1 777 . 19 1 1 A 65 65 LYS CB C 60 32.259 30.890 1.369 1
1 783 . 19 1 1 A 65 65 LYS C C 60 176.075 177.421 -1.346 1
1 784 . 19 1 1 A 66 66 ASN N N 61 118.654 118.078 0.576 1
1 785 . 19 1 1 A 66 66 ASN H H 61 8.413 8.284 0.129 1
1 786 . 19 1 1 A 66 66 ASN CA C 61 53.042 52.150 0.892 1
1 787 . 19 1 1 A 66 66 ASN HA H 61 4.651 4.679 -0.028 1
1 788 . 19 1 1 A 66 66 ASN CB C 61 38.348 37.702 0.646 1
1 795 . 19 1 1 A 66 66 ASN C C 61 174.530 175.108 -0.578 1
1 796 . 19 1 1 A 67 67 SER N N 62 115.494 111.231 4.263 1
1 797 . 19 1 1 A 67 67 SER H H 62 8.289 8.242 0.047 1
1 798 . 19 1 1 A 67 67 SER CA C 62 58.090 59.424 -1.334 1
1 799 . 19 1 1 A 67 67 SER HA H 62 4.294 4.278 0.016 1
1 800 . 19 1 1 A 67 67 SER CB C 62 63.205 61.156 2.049 1
1 803 . 19 1 1 A 67 67 SER C C 62 173.894 173.927 -0.033 1
1 804 . 19 1 1 A 68 68 LEU N N 63 123.552 115.916 7.636 1
1 805 . 19 1 1 A 68 68 LEU H H 63 8.063 7.856 0.207 1
1 806 . 19 1 1 A 68 68 LEU CA C 63 54.124 54.044 0.080 1
1 807 . 19 1 1 A 68 68 LEU HA H 63 4.495 4.594 -0.099 1
1 808 . 19 1 1 A 68 68 LEU CB C 63 42.447 42.662 -0.215 1
1 821 . 19 1 1 A 68 68 LEU C C 63 176.587 175.869 0.718 1
1 822 . 19 1 1 A 69 69 THR N N 64 112.637 110.034 2.603 1
1 823 . 19 1 1 A 69 69 THR H H 64 7.797 7.440 0.357 1
1 824 . 19 1 1 A 69 69 THR CA C 64 60.021 59.639 0.382 1
1 825 . 19 1 1 A 69 69 THR HA H 64 4.490 4.708 -0.218 1
1 826 . 19 1 1 A 69 69 THR CB C 64 70.896 72.333 -1.437 1
1 832 . 19 1 1 A 69 69 THR C C 64 174.998 175.122 -0.124 1
1 833 . 19 1 1 A 70 70 LYS N N 65 120.128 119.227 0.901 1
1 834 . 19 1 1 A 70 70 LYS H H 65 9.059 8.870 0.189 1
1 835 . 19 1 1 A 70 70 LYS CA C 65 59.374 59.230 0.144 1
1 836 . 19 1 1 A 70 70 LYS HA H 65 3.941 4.017 -0.076 1
1 837 . 19 1 1 A 70 70 LYS CB C 65 31.830 32.111 -0.281 1
1 843 . 19 1 1 A 70 70 LYS C C 65 177.539 178.740 -1.201 1
1 844 . 19 1 1 A 71 71 GLU N N 66 117.667 119.904 -2.237 1
1 845 . 19 1 1 A 71 71 GLU H H 66 8.699 8.448 0.251 1
1 846 . 19 1 1 A 71 71 GLU CA C 66 60.307 59.562 0.745 1
1 847 . 19 1 1 A 71 71 GLU HA H 66 3.812 4.081 -0.269 1
1 848 . 19 1 1 A 71 71 GLU CB C 66 27.903 29.190 -1.287 1
1 855 . 19 1 1 A 71 71 GLU C C 66 178.499 178.687 -0.188 1
1 856 . 19 1 1 A 72 72 ALA N N 67 123.914 122.797 1.117 1
1 857 . 19 1 1 A 72 72 ALA H H 67 7.991 7.504 0.487 1
1 858 . 19 1 1 A 72 72 ALA CA C 67 54.601 54.821 -0.220 1
1 859 . 19 1 1 A 72 72 ALA HA H 67 4.116 4.096 0.020 1
1 863 . 19 1 1 A 72 72 ALA CB C 67 18.288 18.718 -0.430 1
1 864 . 19 1 1 A 72 72 ALA C C 67 178.721 179.701 -0.980 1
1 865 . 19 1 1 A 73 73 VAL N N 68 119.435 118.096 1.339 1
1 866 . 19 1 1 A 73 73 VAL H H 68 8.045 8.092 -0.047 1
1 867 . 19 1 1 A 73 73 VAL CA C 68 66.211 66.640 -0.429 1
1 868 . 19 1 1 A 73 73 VAL HA H 68 3.470 3.503 -0.033 1
1 869 . 19 1 1 A 73 73 VAL CB C 68 31.103 31.709 -0.606 1
1 879 . 19 1 1 A 73 73 VAL C C 68 177.001 178.263 -1.262 1
1 880 . 19 1 1 A 74 74 ALA N N 69 120.667 121.363 -0.696 1
1 881 . 19 1 1 A 74 74 ALA H H 69 8.407 8.202 0.205 1
1 882 . 19 1 1 A 74 74 ALA CA C 69 54.687 55.086 -0.399 1
1 883 . 19 1 1 A 74 74 ALA HA H 69 3.981 4.121 -0.140 1
1 887 . 19 1 1 A 74 74 ALA CB C 69 18.048 18.202 -0.154 1
1 888 . 19 1 1 A 74 74 ALA C C 69 178.865 179.813 -0.948 1
1 889 . 19 1 1 A 75 75 LYS N N 70 118.628 118.275 0.353 1
1 890 . 19 1 1 A 75 75 LYS H H 70 7.930 7.996 -0.066 1
1 891 . 19 1 1 A 75 75 LYS CA C 70 58.914 60.032 -1.118 1
1 892 . 19 1 1 A 75 75 LYS HA H 70 4.105 4.021 0.084 1
1 893 . 19 1 1 A 75 75 LYS CB C 70 31.806 32.152 -0.346 1
1 903 . 19 1 1 A 75 75 LYS C C 70 177.409 178.762 -1.353 1
1 904 . 19 1 1 A 76 76 ILE N N 71 120.231 119.591 0.640 1
1 905 . 19 1 1 A 76 76 ILE H H 71 7.478 7.889 -0.411 1
1 906 . 19 1 1 A 76 76 ILE CA C 71 64.835 64.961 -0.126 1
1 907 . 19 1 1 A 76 76 ILE HA H 71 3.973 3.656 0.317 1
1 908 . 19 1 1 A 76 76 ILE CB C 71 37.788 37.952 -0.164 1
1 921 . 19 1 1 A 76 76 ILE C C 71 179.734 177.864 1.870 1
1 922 . 19 1 1 A 77 77 VAL N N 72 122.505 119.457 3.048 1
1 923 . 19 1 1 A 77 77 VAL H H 72 8.325 7.825 0.500 1
1 924 . 19 1 1 A 77 77 VAL CA C 72 67.425 66.439 0.986 1
1 925 . 19 1 1 A 77 77 VAL HA H 72 3.581 3.582 -0.001 1
1 926 . 19 1 1 A 77 77 VAL CB C 72 30.885 31.642 -0.757 1
1 936 . 19 1 1 A 77 77 VAL C C 72 176.939 178.256 -1.317 1
1 937 . 19 1 1 A 78 78 ASP N N 73 120.524 120.657 -0.133 1
1 938 . 19 1 1 A 78 78 ASP H H 73 8.798 8.305 0.493 1
1 939 . 19 1 1 A 78 78 ASP CA C 73 58.163 57.780 0.383 1
1 940 . 19 1 1 A 78 78 ASP HA H 73 4.392 4.643 -0.251 1
1 941 . 19 1 1 A 78 78 ASP CB C 73 41.459 41.386 0.073 1
1 945 . 19 1 1 A 78 78 ASP C C 73 178.122 178.368 -0.246 1
1 946 . 19 1 1 A 79 79 ASP N N 74 119.762 119.821 -0.059 1
1 947 . 19 1 1 A 79 79 ASP H H 74 9.318 8.120 1.198 1
1 948 . 19 1 1 A 79 79 ASP CA C 74 57.122 57.228 -0.106 1
1 949 . 19 1 1 A 79 79 ASP HA H 74 4.405 4.405 0.000 1
1 950 . 19 1 1 A 79 79 ASP CB C 74 39.850 40.449 -0.599 1
1 954 . 19 1 1 A 79 79 ASP C C 74 178.921 178.701 0.220 1
1 955 . 19 1 1 A 80 80 THR N N 75 117.347 116.546 0.801 1
1 956 . 19 1 1 A 80 80 THR H H 75 8.084 8.443 -0.359 1
1 957 . 19 1 1 A 80 80 THR CA C 75 67.055 66.426 0.629 1
1 958 . 19 1 1 A 80 80 THR HA H 75 3.846 4.041 -0.195 1
1 959 . 19 1 1 A 80 80 THR CB C 75 67.692 68.326 -0.634 1
1 965 . 19 1 1 A 80 80 THR C C 75 175.367 177.032 -1.665 1
1 966 . 19 1 1 A 81 81 TYR N N 76 123.735 121.256 2.479 1
1 967 . 19 1 1 A 81 81 TYR H H 76 8.830 8.324 0.506 1
1 968 . 19 1 1 A 81 81 TYR CA C 76 61.712 61.807 -0.095 1
1 969 . 19 1 1 A 81 81 TYR HA H 76 4.269 4.453 -0.184 1
1 970 . 19 1 1 A 81 81 TYR CB C 76 38.639 38.497 0.142 1
1 974 . 19 1 1 A 81 81 TYR C C 76 176.700 177.617 -0.917 1
1 975 . 19 1 1 A 82 82 ARG N N 77 118.508 119.466 -0.958 1
1 976 . 19 1 1 A 82 82 ARG H H 77 8.755 7.997 0.758 1
1 977 . 19 1 1 A 82 82 ARG CA C 77 58.776 59.002 -0.226 1
1 978 . 19 1 1 A 82 82 ARG HA H 77 3.892 3.172 0.720 1
1 979 . 19 1 1 A 82 82 ARG CB C 77 29.459 29.774 -0.315 1
1 995 . 19 1 1 A 82 82 ARG C C 77 178.748 178.532 0.216 1
1 996 . 19 1 1 A 83 83 LYS N N 78 118.075 119.867 -1.792 1
1 997 . 19 1 1 A 83 83 LYS H H 78 7.696 7.862 -0.166 1
1 998 . 19 1 1 A 83 83 LYS CA C 78 58.614 58.844 -0.230 1
1 999 . 19 1 1 A 83 83 LYS HA H 78 4.031 4.088 -0.057 1
1 1000 . 19 1 1 A 83 83 LYS CB C 78 32.055 31.521 0.534 1
1 1005 . 19 1 1 A 83 83 LYS C C 78 177.890 178.745 -0.855 1
1 1006 . 19 1 1 A 84 84 MET N N 79 118.233 119.536 -1.303 1
1 1007 . 19 1 1 A 84 84 MET H H 79 7.748 8.040 -0.292 1
1 1008 . 19 1 1 A 84 84 MET CA C 79 57.254 58.757 -1.503 1
1 1009 . 19 1 1 A 84 84 MET HA H 79 4.189 4.165 0.024 1
1 1010 . 19 1 1 A 84 84 MET CB C 79 32.169 32.589 -0.420 1
1 1020 . 19 1 1 A 84 84 MET C C 79 177.036 176.634 0.402 1
1 1021 . 19 1 1 A 85 85 GLN N N 80 117.242 117.470 -0.228 1
1 1022 . 19 1 1 A 85 85 GLN H H 80 7.843 7.743 0.100 1
1 1023 . 19 1 1 A 85 85 GLN CA C 80 56.500 55.155 1.345 1
1 1024 . 19 1 1 A 85 85 GLN HA H 80 3.993 4.524 -0.531 1
1 1025 . 19 1 1 A 85 85 GLN CB C 80 28.124 29.821 -1.697 1
1 1035 . 19 1 1 A 85 85 GLN C C 80 176.756 175.585 1.171 1
1 1036 . 19 1 1 A 86 86 ILE N N 81 119.178 116.501 2.677 1
1 1037 . 19 1 1 A 86 86 ILE H H 81 7.715 7.715 0.000 1
1 1038 . 19 1 1 A 86 86 ILE CA C 81 61.995 62.632 -0.637 1
1 1039 . 19 1 1 A 86 86 ILE HA H 81 3.948 3.560 0.388 1
1 1040 . 19 1 1 A 86 86 ILE CB C 81 37.856 36.207 1.649 1
1 1052 . 19 1 1 A 86 86 ILE C C 81 176.728 174.985 1.743 1
1 1053 . 19 1 1 A 87 87 GLN N N 82 121.380 121.208 0.172 1
1 1054 . 19 1 1 A 87 87 GLN H H 82 8.164 7.970 0.194 1
1 1055 . 19 1 1 A 87 87 GLN CA C 82 56.075 57.337 -1.262 1
1 1056 . 19 1 1 A 87 87 GLN HA H 82 4.227 4.106 0.121 1
1 1057 . 19 1 1 A 87 87 GLN CB C 82 28.735 28.413 0.322 1
1 1066 . 19 1 1 A 87 87 GLN C C 82 175.836 176.251 -0.415 1
1 1067 . 19 1 1 A 88 88 CYS N N 83 118.668 122.751 -4.083 1
1 1068 . 19 1 1 A 88 88 CYS H H 83 8.238 8.958 -0.720 1
1 1069 . 19 1 1 A 88 88 CYS CA C 83 58.012 60.013 -2.001 1
1 1070 . 19 1 1 A 88 88 CYS HA H 83 4.475 4.028 0.447 1
1 1071 . 19 1 1 A 88 88 CYS CB C 83 27.697 26.388 1.309 1
1 1074 . 19 1 1 A 88 88 CYS C C 83 173.428 174.095 -0.667 1
1 1075 . 19 1 1 A 89 89 ALA N N 84 127.014 123.984 3.030 1
1 1076 . 19 1 1 A 89 89 ALA H H 84 8.249 7.880 0.369 1
1 1077 . 19 1 1 A 89 89 ALA CA C 84 50.615 50.259 0.356 1
1 1078 . 19 1 1 A 89 89 ALA HA H 84 4.562 4.856 -0.294 1
1 1082 . 19 1 1 A 89 89 ALA CB C 84 17.465 19.800 -2.335 1
1 1083 . 19 1 1 A 89 89 ALA C C 84 175.125 177.426 -2.301 1
1 1085 . 19 1 1 A 90 90 PRO CA C 85 63.085 63.596 -0.511 1
1 1086 . 19 1 1 A 90 90 PRO HA H 85 4.386 4.391 -0.005 1
1 1087 . 19 1 1 A 90 90 PRO CB C 85 31.491 31.984 -0.493 1
1 1095 . 19 1 1 A 90 90 PRO C C 85 176.381 177.035 -0.654 1
1 1096 . 19 1 1 A 91 91 ASP N N 86 119.209 118.752 0.457 1
1 1097 . 19 1 1 A 91 91 ASP H H 86 8.429 8.140 0.289 1
1 1098 . 19 1 1 A 91 91 ASP CA C 86 53.752 54.742 -0.990 1
1 1099 . 19 1 1 A 91 91 ASP HA H 86 4.394 4.343 0.051 1
1 1100 . 19 1 1 A 91 91 ASP CB C 86 40.319 39.067 1.252 1
1 1103 . 19 1 1 A 91 91 ASP C C 86 176.101 176.547 -0.446 1
1 1104 . 19 1 1 A 92 92 LEU N N 87 122.571 122.001 0.570 1
1 1105 . 19 1 1 A 92 92 LEU H H 87 8.208 7.930 0.278 1
1 1106 . 19 1 1 A 92 92 LEU CA C 87 55.327 57.841 -2.514 1
1 1107 . 19 1 1 A 92 92 LEU HA H 87 4.205 4.015 0.190 1
1 1108 . 19 1 1 A 92 92 LEU CB C 87 41.636 42.340 -0.704 1
1 1121 . 19 1 1 A 92 92 LEU C C 87 177.406 176.371 1.035 1
1 1122 . 19 1 1 A 93 93 ALA N N 88 123.131 120.714 2.417 1
1 1123 . 19 1 1 A 93 93 ALA H H 88 8.305 7.941 0.364 1
1 1124 . 19 1 1 A 93 93 ALA CA C 88 52.823 53.305 -0.482 1
1 1125 . 19 1 1 A 93 93 ALA HA H 88 4.245 3.947 0.298 1
1 1129 . 19 1 1 A 93 93 ALA CB C 88 18.496 17.560 0.936 1
1 1130 . 19 1 1 A 93 93 ALA C C 88 178.033 176.292 1.741 1
1 1131 . 19 1 1 A 94 94 THR N N 89 112.097 102.228 9.869 1
1 1132 . 19 1 1 A 94 94 THR H H 89 7.994 8.264 -0.270 1
1 1133 . 19 1 1 A 94 94 THR CA C 89 61.892 63.036 -1.144 1
1 1134 . 19 1 1 A 94 94 THR HA H 89 4.247 3.933 0.314 1
1 1135 . 19 1 1 A 94 94 THR CB C 89 69.076 66.387 2.689 1
1 1141 . 19 1 1 A 94 94 THR C C 89 174.478 173.939 0.539 1
1 1142 . 19 1 1 A 95 95 ARG N N 90 122.704 114.403 8.301 1
1 1143 . 19 1 1 A 95 95 ARG H H 90 8.211 8.230 -0.019 1
1 1144 . 19 1 1 A 95 95 ARG CA C 90 55.803 57.377 -1.574 1
1 1145 . 19 1 1 A 95 95 ARG HA H 90 4.336 4.113 0.223 1
1 1146 . 19 1 1 A 95 95 ARG CB C 90 30.263 27.667 2.596 1
1 1157 . 19 1 1 A 95 95 ARG C C 90 175.958 176.268 -0.310 1
1 1158 . 19 1 1 A 96 96 SER N N 91 116.390 113.709 2.681 1
1 1159 . 19 1 1 A 96 96 SER H H 91 8.365 7.819 0.546 1
1 1160 . 19 1 1 A 96 96 SER CA C 91 58.011 61.040 -3.029 1
1 1161 . 19 1 1 A 96 96 SER HA H 91 4.383 4.279 0.104 1
1 1162 . 19 1 1 A 96 96 SER CB C 91 63.261 63.130 0.131 1
1 1165 . 19 1 1 A 96 96 SER C C 91 174.016 175.757 -1.741 1
1 1166 . 19 1 1 A 97 97 HIS N N 92 120.507 118.211 2.296 1
1 1167 . 19 1 1 A 97 97 HIS H H 92 8.541 7.879 0.662 1
1 1168 . 19 1 1 A 97 97 HIS CA C 92 55.068 54.563 0.505 1
1 1169 . 19 1 1 A 97 97 HIS HA H 92 4.707 4.590 0.117 1
1 1170 . 19 1 1 A 97 97 HIS CB C 92 28.839 27.428 1.411 1
1 1173 . 19 1 1 A 97 97 HIS C C 92 174.186 173.899 0.287 1
1 1174 . 19 1 1 A 98 98 SER N N 93 116.801 118.088 -1.287 1
1 1175 . 19 1 1 A 98 98 SER H H 93 8.455 8.245 0.210 1
1 1176 . 19 1 1 A 98 98 SER CA C 93 58.046 57.062 0.984 1
1 1177 . 19 1 1 A 98 98 SER HA H 93 4.450 4.772 -0.322 1
1 1178 . 19 1 1 A 98 98 SER CB C 93 63.434 65.012 -1.578 1
1 1181 . 19 1 1 A 98 98 SER C C 93 174.553 173.880 0.673 1
1 1182 . 19 1 1 A 99 99 GLY N N 94 111.114 113.290 -2.176 1
1 1183 . 19 1 1 A 99 99 GLY H H 94 8.597 8.771 -0.174 1
1 1184 . 19 1 1 A 99 99 GLY CA C 94 44.888 44.831 0.057 1
1 1185 . 19 1 1 A 99 99 GLY HA2 H 94 3.998 4.145 -0.147 1
1 1186 . 19 1 1 A 99 99 GLY HA3 H 94 3.998 4.145 -0.147 1
1 1187 . 19 1 1 A 99 99 GLY C C 94 173.856 174.774 -0.918 1
1 1188 . 19 1 1 A 100 100 SER N N 95 115.398 115.343 0.055 1
1 1189 . 19 1 1 A 100 100 SER H H 95 8.311 8.402 -0.091 1
1 1190 . 19 1 1 A 100 100 SER CA C 95 57.909 59.802 -1.893 1
1 1191 . 19 1 1 A 100 100 SER HA H 95 4.422 4.294 0.128 1
1 1192 . 19 1 1 A 100 100 SER CB C 95 63.377 62.754 0.623 1
1 1195 . 19 1 1 A 100 100 SER C C 95 173.695 174.210 -0.515 1
1 1196 . 19 1 1 A 101 101 ASP N N 96 121.810 118.342 3.468 1
1 1197 . 19 1 1 A 101 101 ASP H H 96 8.380 8.366 0.014 1
1 1198 . 19 1 1 A 101 101 ASP CA C 96 53.797 54.080 -0.283 1
1 1199 . 19 1 1 A 101 101 ASP HA H 96 4.546 4.835 -0.289 1
1 1200 . 19 1 1 A 101 101 ASP CB C 96 40.440 42.408 -1.968 1
1 1203 . 19 1 1 A 101 101 ASP C C 96 175.547 176.620 -1.073 1
1 1204 . 19 1 1 A 102 102 PHE N N 97 120.706 117.389 3.317 1
1 1205 . 19 1 1 A 102 102 PHE H H 97 8.249 7.995 0.254 1
1 1206 . 19 1 1 A 102 102 PHE CA C 97 57.444 57.885 -0.441 1
1 1207 . 19 1 1 A 102 102 PHE HA H 97 4.546 4.559 -0.013 1
1 1208 . 19 1 1 A 102 102 PHE CB C 97 38.772 39.249 -0.477 1
1 1214 . 19 1 1 A 102 102 PHE C C 97 175.312 175.930 -0.618 1
1 1215 . 19 1 1 A 103 103 SER N N 98 116.992 114.656 2.336 1
1 1216 . 19 1 1 A 103 103 SER H H 98 8.167 7.798 0.369 1
1 1217 . 19 1 1 A 103 103 SER CA C 98 57.983 57.031 0.952 1
1 1218 . 19 1 1 A 103 103 SER HA H 98 4.314 4.786 -0.472 1
1 1219 . 19 1 1 A 103 103 SER CB C 98 63.384 63.871 -0.487 1
1 1222 . 19 1 1 A 103 103 SER C C 98 173.286 173.072 0.214 1
1 1223 . 19 1 1 A 104 104 PHE N N 99 122.000 123.683 -1.683 1
1 1224 . 19 1 1 A 104 104 PHE H H 99 8.170 8.342 -0.172 1
1 1225 . 19 1 1 A 104 104 PHE CA C 99 57.354 56.011 1.343 1
1 1226 . 19 1 1 A 104 104 PHE HA H 99 4.545 4.118 0.427 1
1 1227 . 19 1 1 A 104 104 PHE CB C 99 39.045 37.858 1.187 1
1 1233 . 19 1 1 A 104 104 PHE C C 99 174.621 174.576 0.045 1
1 1234 . 19 1 1 A 105 105 ARG N N 100 124.796 126.026 -1.230 1
1 1235 . 19 1 1 A 105 105 ARG H H 100 8.101 7.705 0.396 1
1 1236 . 19 1 1 A 105 105 ARG CA C 100 52.919 54.639 -1.720 1
1 1237 . 19 1 1 A 105 105 ARG HA H 100 4.542 4.259 0.283 1
1 1238 . 19 1 1 A 105 105 ARG CB C 100 29.973 29.621 0.352 1
1 1247 . 19 1 1 A 105 105 ARG C C 100 172.924 174.100 -1.176 1
1 1249 . 19 1 1 A 106 106 PRO CA C 101 62.366 62.297 0.069 1
1 1250 . 19 1 1 A 106 106 PRO HA H 101 4.349 4.575 -0.226 1
1 1251 . 19 1 1 A 106 106 PRO CB C 101 31.609 33.376 -1.767 1
1 1259 . 19 1 1 A 106 106 PRO C C 101 176.395 176.477 -0.082 1
1 1260 . 19 1 1 A 107 107 ILE N N 102 121.380 121.059 0.321 1
1 1261 . 19 1 1 A 107 107 ILE H H 102 8.350 8.484 -0.134 1
1 1262 . 19 1 1 A 107 107 ILE CA C 102 60.925 60.517 0.408 1
1 1263 . 19 1 1 A 107 107 ILE HA H 102 4.050 4.667 -0.617 1
1 1264 . 19 1 1 A 107 107 ILE CB C 102 38.165 39.009 -0.844 1
1 1277 . 19 1 1 A 107 107 ILE C C 102 175.990 176.531 -0.541 1
1 1278 . 19 1 1 A 108 108 GLU N N 103 124.836 124.268 0.568 1
1 1279 . 19 1 1 A 108 108 GLU H H 103 8.578 7.908 0.670 1
1 1280 . 19 1 1 A 108 108 GLU CA C 103 55.915 59.922 -4.007 1
1 1281 . 19 1 1 A 108 108 GLU HA H 103 4.279 3.885 0.394 1
1 1282 . 19 1 1 A 108 108 GLU CB C 103 29.902 29.526 0.376 1
1 1288 . 19 1 1 A 108 108 GLU C C 103 175.678 176.232 -0.554 1
1 1289 . 19 1 1 A 109 109 GLU N N 104 122.847 119.393 3.454 1
1 1290 . 19 1 1 A 109 109 GLU H H 104 8.459 8.182 0.277 1
1 1291 . 19 1 1 A 109 109 GLU CA C 104 55.845 57.244 -1.399 1
1 1292 . 19 1 1 A 109 109 GLU HA H 104 4.273 3.944 0.329 1
1 1293 . 19 1 1 A 109 109 GLU CB C 104 29.990 28.126 1.864 1
1 1299 . 19 1 1 A 109 109 GLU C C 104 174.661 175.310 -0.649 1
1 3 . 20 1 1 A 2 2 SER N N -4 115.528 115.742 -0.214 1
1 4 . 20 1 1 A 2 2 SER H H -4 8.751 7.822 0.929 1
1 5 . 20 1 1 A 2 2 SER CA C -4 57.819 59.306 -1.487 1
1 6 . 20 1 1 A 2 2 SER HA H -4 4.461 4.496 -0.035 1
1 7 . 20 1 1 A 2 2 SER CB C -4 63.389 64.465 -1.076 1
1 8 . 20 1 1 A 2 2 SER C C -4 173.924 174.214 -0.290 1
1 9 . 20 1 1 A 3 3 HIS N N -3 120.998 118.199 2.799 1
1 10 . 20 1 1 A 3 3 HIS H H -3 8.769 7.882 0.887 1
1 11 . 20 1 1 A 3 3 HIS CA C -3 55.238 56.778 -1.540 1
1 12 . 20 1 1 A 3 3 HIS HA H -3 4.703 4.255 0.448 1
1 13 . 20 1 1 A 3 3 HIS CB C -3 28.916 26.659 2.257 1
1 16 . 20 1 1 A 3 3 HIS C C -3 174.207 174.919 -0.712 1
1 17 . 20 1 1 A 4 4 MET N N -2 122.227 116.315 5.912 1
1 18 . 20 1 1 A 4 4 MET H H -2 8.518 8.370 0.148 1
1 19 . 20 1 1 A 4 4 MET CA C -2 55.003 54.182 0.821 1
1 20 . 20 1 1 A 4 4 MET HA H -2 4.420 4.759 -0.339 1
1 21 . 20 1 1 A 4 4 MET CB C -2 32.578 33.664 -1.086 1
1 31 . 20 1 1 A 4 4 MET C C -2 175.475 175.412 0.063 1
1 49 . 20 1 1 A 7 7 ALA N N 2 124.543 122.881 1.662 1
1 50 . 20 1 1 A 7 7 ALA H H 2 8.453 8.252 0.201 1
1 51 . 20 1 1 A 7 7 ALA CA C 2 53.203 54.863 -1.660 1
1 52 . 20 1 1 A 7 7 ALA HA H 2 4.211 4.015 0.196 1
1 56 . 20 1 1 A 7 7 ALA CB C 2 18.387 18.077 0.310 1
1 57 . 20 1 1 A 7 7 ALA C C 2 178.091 179.177 -1.086 1
1 58 . 20 1 1 A 8 8 ASP N N 3 118.618 118.541 0.077 1
1 59 . 20 1 1 A 8 8 ASP H H 3 8.064 7.910 0.154 1
1 60 . 20 1 1 A 8 8 ASP CA C 3 54.381 56.927 -2.546 1
1 61 . 20 1 1 A 8 8 ASP HA H 3 4.551 4.307 0.244 1
1 62 . 20 1 1 A 8 8 ASP CB C 3 40.446 41.069 -0.623 1
1 65 . 20 1 1 A 8 8 ASP C C 3 176.662 178.143 -1.481 1
1 66 . 20 1 1 A 9 9 LEU N N 4 123.427 120.415 3.012 1
1 67 . 20 1 1 A 9 9 LEU H H 4 8.202 7.567 0.635 1
1 68 . 20 1 1 A 9 9 LEU CA C 4 57.491 57.921 -0.430 1
1 69 . 20 1 1 A 9 9 LEU HA H 4 4.084 4.034 0.050 1
1 70 . 20 1 1 A 9 9 LEU CB C 4 41.745 41.636 0.109 1
1 80 . 20 1 1 A 9 9 LEU C C 4 178.873 178.645 0.228 1
1 81 . 20 1 1 A 10 10 VAL N N 5 119.385 119.227 0.158 1
1 82 . 20 1 1 A 10 10 VAL H H 5 8.186 8.376 -0.190 1
1 83 . 20 1 1 A 10 10 VAL CA C 5 66.686 66.737 -0.051 1
1 84 . 20 1 1 A 10 10 VAL HA H 5 3.435 3.509 -0.074 1
1 85 . 20 1 1 A 10 10 VAL CB C 5 31.135 31.513 -0.378 1
1 95 . 20 1 1 A 10 10 VAL C C 5 177.408 177.764 -0.356 1
1 96 . 20 1 1 A 11 11 SER N N 6 115.027 115.708 -0.681 1
1 97 . 20 1 1 A 11 11 SER H H 6 8.252 8.068 0.184 1
1 98 . 20 1 1 A 11 11 SER CA C 6 61.229 62.060 -0.831 1
1 99 . 20 1 1 A 11 11 SER HA H 6 4.068 4.113 -0.045 1
1 100 . 20 1 1 A 11 11 SER CB C 6 62.054 62.734 -0.680 1
1 103 . 20 1 1 A 11 11 SER C C 6 176.036 176.491 -0.455 1
1 104 . 20 1 1 A 12 12 SER N N 7 115.144 117.269 -2.125 1
1 105 . 20 1 1 A 12 12 SER H H 7 8.053 8.029 0.024 1
1 106 . 20 1 1 A 12 12 SER CA C 7 60.212 61.653 -1.441 1
1 107 . 20 1 1 A 12 12 SER HA H 7 4.309 4.038 0.271 1
1 108 . 20 1 1 A 12 12 SER CB C 7 62.720 63.070 -0.350 1
1 111 . 20 1 1 A 12 12 SER C C 7 176.540 176.338 0.202 1
1 112 . 20 1 1 A 13 13 CYS N N 8 118.211 119.167 -0.956 1
1 113 . 20 1 1 A 13 13 CYS H H 8 7.919 8.683 -0.764 1
1 114 . 20 1 1 A 13 13 CYS CA C 8 63.729 63.955 -0.226 1
1 115 . 20 1 1 A 13 13 CYS HA H 8 4.046 4.082 -0.036 1
1 116 . 20 1 1 A 13 13 CYS CB C 8 26.703 26.933 -0.230 1
1 119 . 20 1 1 A 13 13 CYS C C 8 175.645 177.038 -1.393 1
1 120 . 20 1 1 A 14 14 LYS N N 9 120.074 121.272 -1.198 1
1 121 . 20 1 1 A 14 14 LYS H H 9 8.632 8.073 0.559 1
1 122 . 20 1 1 A 14 14 LYS CA C 9 60.438 59.587 0.851 1
1 123 . 20 1 1 A 14 14 LYS HA H 9 3.668 3.980 -0.312 1
1 124 . 20 1 1 A 14 14 LYS CB C 9 31.655 32.007 -0.352 1
1 136 . 20 1 1 A 14 14 LYS C C 9 177.590 177.844 -0.254 1
1 137 . 20 1 1 A 15 15 ASP N N 10 117.611 119.449 -1.838 1
1 138 . 20 1 1 A 15 15 ASP H H 10 7.732 8.113 -0.381 1
1 139 . 20 1 1 A 15 15 ASP CA C 10 56.325 57.372 -1.047 1
1 140 . 20 1 1 A 15 15 ASP HA H 10 4.320 4.192 0.128 1
1 141 . 20 1 1 A 15 15 ASP CB C 10 40.092 41.558 -1.466 1
1 144 . 20 1 1 A 15 15 ASP C C 10 177.731 178.525 -0.794 1
1 145 . 20 1 1 A 16 16 LYS N N 11 117.878 119.168 -1.290 1
1 146 . 20 1 1 A 16 16 LYS H H 11 7.254 7.758 -0.504 1
1 147 . 20 1 1 A 16 16 LYS CA C 11 58.984 58.856 0.128 1
1 148 . 20 1 1 A 16 16 LYS HA H 11 3.662 3.394 0.268 1
1 149 . 20 1 1 A 16 16 LYS CB C 11 32.933 31.860 1.073 1
1 158 . 20 1 1 A 16 16 LYS C C 11 177.350 177.860 -0.510 1
1 159 . 20 1 1 A 17 17 LEU N N 12 115.652 121.782 -6.130 1
1 160 . 20 1 1 A 17 17 LEU H H 12 8.138 8.366 -0.228 1
1 161 . 20 1 1 A 17 17 LEU CA C 12 56.722 58.172 -1.450 1
1 162 . 20 1 1 A 17 17 LEU HA H 12 3.588 4.147 -0.559 1
1 163 . 20 1 1 A 17 17 LEU CB C 12 41.870 41.496 0.374 1
1 174 . 20 1 1 A 17 17 LEU C C 12 177.545 178.475 -0.930 1
1 175 . 20 1 1 A 18 18 ALA N N 13 116.045 120.820 -4.775 1
1 176 . 20 1 1 A 18 18 ALA H H 13 7.080 8.582 -1.502 1
1 177 . 20 1 1 A 18 18 ALA CA C 13 53.475 54.809 -1.334 1
1 178 . 20 1 1 A 18 18 ALA HA H 13 3.984 4.069 -0.085 1
1 182 . 20 1 1 A 18 18 ALA CB C 13 18.121 18.427 -0.306 1
1 183 . 20 1 1 A 18 18 ALA C C 13 178.298 179.309 -1.011 1
1 184 . 20 1 1 A 19 19 TYR N N 14 115.556 119.546 -3.990 1
1 185 . 20 1 1 A 19 19 TYR H H 14 7.675 7.610 0.065 1
1 186 . 20 1 1 A 19 19 TYR CA C 14 58.741 59.892 -1.151 1
1 187 . 20 1 1 A 19 19 TYR HA H 14 4.323 4.184 0.139 1
1 188 . 20 1 1 A 19 19 TYR CB C 14 38.610 38.955 -0.345 1
1 193 . 20 1 1 A 19 19 TYR C C 14 176.007 175.879 0.128 1
1 194 . 20 1 1 A 20 20 PHE N N 15 118.275 119.468 -1.193 1
1 195 . 20 1 1 A 20 20 PHE H H 15 7.406 7.675 -0.269 1
1 196 . 20 1 1 A 20 20 PHE CA C 15 56.542 57.009 -0.467 1
1 197 . 20 1 1 A 20 20 PHE HA H 15 4.652 4.727 -0.075 1
1 198 . 20 1 1 A 20 20 PHE CB C 15 38.561 40.253 -1.692 1
1 202 . 20 1 1 A 20 20 PHE C C 15 176.160 176.047 0.113 1
1 203 . 20 1 1 A 21 21 ARG N N 16 119.140 123.829 -4.689 1
1 204 . 20 1 1 A 21 21 ARG H H 16 8.714 8.379 0.335 1
1 205 . 20 1 1 A 21 21 ARG CA C 16 54.474 56.096 -1.622 1
1 206 . 20 1 1 A 21 21 ARG HA H 16 4.747 4.280 0.467 1
1 207 . 20 1 1 A 21 21 ARG CB C 16 30.097 31.812 -1.715 1
1 223 . 20 1 1 A 21 21 ARG C C 16 177.095 177.629 -0.534 1
1 224 . 20 1 1 A 22 22 ILE N N 17 120.734 124.938 -4.204 1
1 225 . 20 1 1 A 22 22 ILE H H 17 8.708 8.834 -0.126 1
1 226 . 20 1 1 A 22 22 ILE CA C 17 65.114 64.842 0.272 1
1 227 . 20 1 1 A 22 22 ILE HA H 17 3.740 3.724 0.016 1
1 228 . 20 1 1 A 22 22 ILE CB C 17 36.768 37.717 -0.949 1
1 241 . 20 1 1 A 22 22 ILE C C 17 176.639 178.116 -1.477 1
1 242 . 20 1 1 A 23 23 LYS N N 18 118.184 121.178 -2.994 1
1 243 . 20 1 1 A 23 23 LYS H H 18 8.267 8.193 0.074 1
1 244 . 20 1 1 A 23 23 LYS CA C 18 59.978 60.079 -0.101 1
1 245 . 20 1 1 A 23 23 LYS HA H 18 3.909 3.892 0.017 1
1 246 . 20 1 1 A 23 23 LYS CB C 18 32.191 32.176 0.015 1
1 258 . 20 1 1 A 23 23 LYS C C 18 178.185 178.873 -0.688 1
1 259 . 20 1 1 A 24 24 GLU N N 19 117.651 119.319 -1.668 1
1 260 . 20 1 1 A 24 24 GLU H H 19 7.198 8.012 -0.814 1
1 261 . 20 1 1 A 24 24 GLU CA C 19 60.601 59.234 1.367 1
1 262 . 20 1 1 A 24 24 GLU HA H 19 4.056 4.044 0.012 1
1 263 . 20 1 1 A 24 24 GLU CB C 19 28.859 29.512 -0.653 1
1 269 . 20 1 1 A 24 24 GLU C C 19 178.542 179.291 -0.749 1
1 270 . 20 1 1 A 25 25 LEU N N 20 119.236 120.211 -0.975 1
1 271 . 20 1 1 A 25 25 LEU H H 20 7.980 8.276 -0.296 1
1 272 . 20 1 1 A 25 25 LEU CA C 20 57.812 57.959 -0.147 1
1 273 . 20 1 1 A 25 25 LEU HA H 20 3.947 4.018 -0.071 1
1 274 . 20 1 1 A 25 25 LEU CB C 20 42.172 40.591 1.581 1
1 281 . 20 1 1 A 25 25 LEU C C 20 178.081 179.431 -1.350 1
1 282 . 20 1 1 A 26 26 LYS N N 21 117.457 121.471 -4.014 1
1 283 . 20 1 1 A 26 26 LYS H H 21 8.770 8.405 0.365 1
1 284 . 20 1 1 A 26 26 LYS CA C 21 60.741 59.779 0.962 1
1 285 . 20 1 1 A 26 26 LYS HA H 21 3.806 3.956 -0.150 1
1 286 . 20 1 1 A 26 26 LYS CB C 21 31.876 32.075 -0.199 1
1 287 . 20 1 1 A 26 26 LYS C C 21 177.659 178.976 -1.317 1
1 288 . 20 1 1 A 27 27 ASP N N 22 119.023 119.609 -0.586 1
1 289 . 20 1 1 A 27 27 ASP H H 22 7.671 8.134 -0.463 1
1 290 . 20 1 1 A 27 27 ASP CA C 22 56.971 57.119 -0.148 1
1 291 . 20 1 1 A 27 27 ASP HA H 22 4.409 4.489 -0.080 1
1 292 . 20 1 1 A 27 27 ASP CB C 22 40.196 40.658 -0.462 1
1 295 . 20 1 1 A 27 27 ASP C C 22 180.796 179.019 1.777 1
1 296 . 20 1 1 A 28 28 ILE N N 23 119.318 120.351 -1.033 1
1 297 . 20 1 1 A 28 28 ILE H H 23 8.039 7.781 0.258 1
1 298 . 20 1 1 A 28 28 ILE CA C 23 65.328 65.524 -0.196 1
1 299 . 20 1 1 A 28 28 ILE HA H 23 3.601 3.653 -0.052 1
1 300 . 20 1 1 A 28 28 ILE CB C 23 37.309 38.221 -0.912 1
1 313 . 20 1 1 A 28 28 ILE C C 23 177.251 178.220 -0.969 1
1 314 . 20 1 1 A 29 29 LEU N N 24 120.356 121.422 -1.066 1
1 315 . 20 1 1 A 29 29 LEU H H 24 8.220 8.373 -0.153 1
1 316 . 20 1 1 A 29 29 LEU CA C 24 58.535 58.241 0.294 1
1 317 . 20 1 1 A 29 29 LEU HA H 24 3.824 4.011 -0.187 1
1 318 . 20 1 1 A 29 29 LEU CB C 24 39.478 41.526 -2.048 1
1 326 . 20 1 1 A 29 29 LEU C C 24 178.599 178.333 0.266 1
1 327 . 20 1 1 A 30 30 ASN N N 25 117.446 117.304 0.142 1
1 328 . 20 1 1 A 30 30 ASN H H 25 8.687 8.416 0.271 1
1 329 . 20 1 1 A 30 30 ASN CA C 25 56.241 57.063 -0.822 1
1 330 . 20 1 1 A 30 30 ASN HA H 25 4.520 4.380 0.140 1
1 331 . 20 1 1 A 30 30 ASN CB C 25 38.899 38.870 0.029 1
1 338 . 20 1 1 A 30 30 ASN C C 25 178.958 177.609 1.349 1
1 339 . 20 1 1 A 31 31 GLN N N 26 119.946 117.628 2.318 1
1 340 . 20 1 1 A 31 31 GLN H H 26 8.184 7.734 0.450 1
1 341 . 20 1 1 A 31 31 GLN CA C 26 58.779 57.923 0.856 1
1 342 . 20 1 1 A 31 31 GLN HA H 26 4.055 4.189 -0.134 1
1 343 . 20 1 1 A 31 31 GLN CB C 26 29.109 28.216 0.893 1
1 353 . 20 1 1 A 31 31 GLN C C 26 177.586 177.303 0.283 1
1 354 . 20 1 1 A 32 32 LEU N N 27 116.979 118.107 -1.128 1
1 355 . 20 1 1 A 32 32 LEU H H 27 7.893 7.550 0.343 1
1 356 . 20 1 1 A 32 32 LEU CA C 27 54.393 55.089 -0.696 1
1 357 . 20 1 1 A 32 32 LEU HA H 27 4.240 4.291 -0.051 1
1 358 . 20 1 1 A 32 32 LEU CB C 27 42.566 42.408 0.158 1
1 369 . 20 1 1 A 32 32 LEU C C 27 175.693 176.980 -1.287 1
1 370 . 20 1 1 A 33 33 GLY N N 28 108.299 105.720 2.579 1
1 371 . 20 1 1 A 33 33 GLY H H 28 7.834 7.837 -0.003 1
1 372 . 20 1 1 A 33 33 GLY CA C 28 45.707 44.939 0.768 1
1 373 . 20 1 1 A 33 33 GLY HA2 H 28 3.952 4.004 -0.052 1
1 374 . 20 1 1 A 33 33 GLY HA3 H 28 3.952 4.005 -0.053 1
1 375 . 20 1 1 A 33 33 GLY C C 28 174.317 174.892 -0.575 1
1 376 . 20 1 1 A 34 34 LEU N N 29 120.833 120.132 0.701 1
1 377 . 20 1 1 A 34 34 LEU H H 29 7.986 8.525 -0.539 1
1 378 . 20 1 1 A 34 34 LEU CA C 29 51.600 55.477 -3.877 1
1 379 . 20 1 1 A 34 34 LEU HA H 29 4.760 4.324 0.436 1
1 380 . 20 1 1 A 34 34 LEU CB C 29 43.531 39.635 3.896 1
1 392 . 20 1 1 A 35 35 PRO CA C 30 62.741 62.341 0.400 1
1 393 . 20 1 1 A 35 35 PRO HA H 30 4.365 4.514 -0.149 1
1 394 . 20 1 1 A 35 35 PRO CB C 30 31.856 32.794 -0.938 1
1 402 . 20 1 1 A 35 35 PRO C C 30 177.334 176.934 0.400 1
1 403 . 20 1 1 A 36 36 LYS N N 31 117.589 120.167 -2.578 1
1 404 . 20 1 1 A 36 36 LYS H H 31 8.380 8.990 -0.610 1
1 405 . 20 1 1 A 36 36 LYS CA C 31 55.569 59.006 -3.437 1
1 406 . 20 1 1 A 36 36 LYS HA H 31 4.288 3.988 0.300 1
1 407 . 20 1 1 A 36 36 LYS CB C 31 33.225 32.754 0.471 1
1 417 . 20 1 1 A 36 36 LYS C C 31 174.406 176.531 -2.125 1
1 418 . 20 1 1 A 37 37 GLN N N 32 118.260 113.337 4.923 1
1 419 . 20 1 1 A 37 37 GLN H H 32 7.698 7.633 0.065 1
1 420 . 20 1 1 A 37 37 GLN CA C 32 55.716 54.650 1.066 1
1 421 . 20 1 1 A 37 37 GLN HA H 32 4.392 4.626 -0.234 1
1 422 . 20 1 1 A 37 37 GLN CB C 32 28.251 30.293 -2.042 1
1 432 . 20 1 1 A 37 37 GLN C C 32 175.122 174.040 1.082 1
1 433 . 20 1 1 A 38 38 GLY N N 33 109.855 106.539 3.316 1
1 434 . 20 1 1 A 38 38 GLY H H 33 8.449 8.433 0.016 1
1 435 . 20 1 1 A 38 38 GLY CA C 33 43.315 45.598 -2.283 1
1 436 . 20 1 1 A 38 38 GLY HA2 H 33 4.600 4.156 0.444 1
1 437 . 20 1 1 A 38 38 GLY HA3 H 33 3.803 4.156 -0.353 1
1 438 . 20 1 1 A 38 38 GLY C C 33 173.537 172.805 0.732 1
1 439 . 20 1 1 A 39 39 LYS N N 34 117.627 124.299 -6.672 1
1 440 . 20 1 1 A 39 39 LYS H H 34 8.649 8.439 0.210 1
1 441 . 20 1 1 A 39 39 LYS CA C 34 54.916 55.170 -0.254 1
1 442 . 20 1 1 A 39 39 LYS HA H 34 4.395 4.538 -0.143 1
1 443 . 20 1 1 A 39 39 LYS CB C 34 32.893 32.989 -0.096 1
1 455 . 20 1 1 A 39 39 LYS C C 34 176.803 177.554 -0.751 1
1 456 . 20 1 1 A 40 40 LYS N N 35 121.705 119.148 2.557 1
1 457 . 20 1 1 A 40 40 LYS H H 35 8.920 8.692 0.228 1
1 458 . 20 1 1 A 40 40 LYS CA C 35 61.574 60.424 1.150 1
1 459 . 20 1 1 A 40 40 LYS HA H 35 3.599 3.900 -0.301 1
1 460 . 20 1 1 A 40 40 LYS CB C 35 31.924 32.195 -0.271 1
1 472 . 20 1 1 A 40 40 LYS C C 35 177.366 178.287 -0.921 1
1 473 . 20 1 1 A 41 41 GLN N N 36 114.634 118.985 -4.351 1
1 474 . 20 1 1 A 41 41 GLN H H 36 9.017 7.926 1.091 1
1 475 . 20 1 1 A 41 41 GLN CA C 36 57.636 58.684 -1.048 1
1 476 . 20 1 1 A 41 41 GLN HA H 36 3.731 3.996 -0.265 1
1 477 . 20 1 1 A 41 41 GLN CB C 36 27.865 28.326 -0.461 1
1 487 . 20 1 1 A 41 41 GLN C C 36 176.872 178.120 -1.248 1
1 488 . 20 1 1 A 42 42 ASP N N 37 115.980 120.288 -4.308 1
1 489 . 20 1 1 A 42 42 ASP H H 37 7.047 8.170 -1.123 1
1 490 . 20 1 1 A 42 42 ASP CA C 37 56.593 57.417 -0.824 1
1 491 . 20 1 1 A 42 42 ASP HA H 37 4.297 4.324 -0.027 1
1 492 . 20 1 1 A 42 42 ASP CB C 37 39.839 40.401 -0.562 1
1 495 . 20 1 1 A 42 42 ASP C C 37 178.454 178.895 -0.441 1
1 496 . 20 1 1 A 43 43 LEU N N 38 119.074 120.676 -1.602 1
1 497 . 20 1 1 A 43 43 LEU H H 38 7.725 8.456 -0.731 1
1 498 . 20 1 1 A 43 43 LEU CA C 38 57.713 58.011 -0.298 1
1 499 . 20 1 1 A 43 43 LEU HA H 38 3.787 3.968 -0.181 1
1 500 . 20 1 1 A 43 43 LEU CB C 38 40.214 42.325 -2.111 1
1 513 . 20 1 1 A 43 43 LEU C C 38 177.872 179.116 -1.244 1
1 514 . 20 1 1 A 44 44 ILE N N 39 118.343 118.633 -0.290 1
1 515 . 20 1 1 A 44 44 ILE H H 39 7.867 8.043 -0.176 1
1 516 . 20 1 1 A 44 44 ILE CA C 39 66.090 65.779 0.311 1
1 517 . 20 1 1 A 44 44 ILE HA H 39 3.321 3.498 -0.177 1
1 518 . 20 1 1 A 44 44 ILE CB C 39 38.013 37.750 0.263 1
1 528 . 20 1 1 A 44 44 ILE C C 39 177.711 177.672 0.039 1
1 529 . 20 1 1 A 45 45 ASP N N 40 118.533 120.217 -1.684 1
1 530 . 20 1 1 A 45 45 ASP H H 40 8.503 8.692 -0.189 1
1 531 . 20 1 1 A 45 45 ASP CA C 40 57.009 57.330 -0.321 1
1 532 . 20 1 1 A 45 45 ASP HA H 40 4.272 4.469 -0.197 1
1 533 . 20 1 1 A 45 45 ASP CB C 40 39.419 40.594 -1.175 1
1 536 . 20 1 1 A 45 45 ASP C C 40 178.392 178.995 -0.603 1
1 537 . 20 1 1 A 46 46 ARG N N 41 120.911 120.681 0.230 1
1 538 . 20 1 1 A 46 46 ARG H H 41 7.717 7.757 -0.040 1
1 539 . 20 1 1 A 46 46 ARG CA C 41 59.048 59.541 -0.493 1
1 540 . 20 1 1 A 46 46 ARG HA H 41 3.991 4.089 -0.098 1
1 541 . 20 1 1 A 46 46 ARG CB C 41 29.817 30.230 -0.413 1
1 550 . 20 1 1 A 46 46 ARG C C 41 177.537 178.427 -0.890 1
1 551 . 20 1 1 A 47 47 VAL N N 42 117.438 119.611 -2.173 1
1 552 . 20 1 1 A 47 47 VAL H H 42 7.445 8.074 -0.629 1
1 553 . 20 1 1 A 47 47 VAL CA C 42 65.881 66.429 -0.548 1
1 554 . 20 1 1 A 47 47 VAL HA H 42 3.442 3.679 -0.237 1
1 555 . 20 1 1 A 47 47 VAL CB C 42 30.931 31.783 -0.852 1
1 565 . 20 1 1 A 47 47 VAL C C 42 177.671 178.184 -0.513 1
1 566 . 20 1 1 A 48 48 LEU N N 43 117.085 117.779 -0.694 1
1 567 . 20 1 1 A 48 48 LEU H H 43 8.466 8.048 0.418 1
1 568 . 20 1 1 A 48 48 LEU CA C 43 57.248 57.479 -0.231 1
1 569 . 20 1 1 A 48 48 LEU HA H 43 3.847 4.109 -0.262 1
1 570 . 20 1 1 A 48 48 LEU CB C 43 40.720 40.743 -0.023 1
1 583 . 20 1 1 A 48 48 LEU C C 43 179.581 179.570 0.011 1
1 584 . 20 1 1 A 49 49 ALA N N 44 120.479 122.561 -2.082 1
1 585 . 20 1 1 A 49 49 ALA H H 44 7.953 8.078 -0.125 1
1 586 . 20 1 1 A 49 49 ALA CA C 44 53.997 55.368 -1.371 1
1 587 . 20 1 1 A 49 49 ALA HA H 44 4.123 4.079 0.044 1
1 591 . 20 1 1 A 49 49 ALA CB C 44 17.631 18.590 -0.959 1
1 592 . 20 1 1 A 49 49 ALA C C 44 178.926 179.931 -1.005 1
1 593 . 20 1 1 A 50 50 LEU N N 45 115.306 118.080 -2.774 1
1 594 . 20 1 1 A 50 50 LEU H H 45 7.428 8.104 -0.676 1
1 595 . 20 1 1 A 50 50 LEU CA C 45 55.652 57.683 -2.031 1
1 596 . 20 1 1 A 50 50 LEU HA H 45 4.219 4.033 0.186 1
1 597 . 20 1 1 A 50 50 LEU CB C 45 41.846 41.690 0.156 1
1 610 . 20 1 1 A 50 50 LEU C C 45 177.840 179.098 -1.258 1
1 611 . 20 1 1 A 51 51 LEU N N 46 115.880 119.509 -3.629 1
1 612 . 20 1 1 A 51 51 LEU H H 46 7.642 8.090 -0.448 1
1 613 . 20 1 1 A 51 51 LEU CA C 46 54.693 57.801 -3.108 1
1 614 . 20 1 1 A 51 51 LEU HA H 46 4.265 4.049 0.216 1
1 615 . 20 1 1 A 51 51 LEU CB C 46 42.040 41.336 0.704 1
1 625 . 20 1 1 A 51 51 LEU C C 46 176.015 178.405 -2.390 1
1 626 . 20 1 1 A 52 52 THR N N 47 109.201 114.619 -5.418 1
1 627 . 20 1 1 A 52 52 THR H H 47 7.516 7.533 -0.017 1
1 628 . 20 1 1 A 52 52 THR CA C 47 60.834 64.653 -3.819 1
1 629 . 20 1 1 A 52 52 THR HA H 47 4.348 4.291 0.057 1
1 630 . 20 1 1 A 52 52 THR CB C 47 69.704 69.298 0.406 1
1 636 . 20 1 1 A 52 52 THR C C 47 173.733 175.507 -1.774 1
1 637 . 20 1 1 A 53 53 ASP N N 48 122.188 120.629 1.559 1
1 638 . 20 1 1 A 53 53 ASP H H 48 8.280 8.511 -0.231 1
1 639 . 20 1 1 A 53 53 ASP CA C 48 54.185 57.291 -3.106 1
1 640 . 20 1 1 A 53 53 ASP HA H 48 4.699 4.399 0.300 1
1 641 . 20 1 1 A 53 53 ASP CB C 48 40.749 40.439 0.310 1
1 645 . 20 1 1 A 53 53 ASP C C 48 176.000 176.712 -0.712 1
1 646 . 20 1 1 A 54 54 GLU N N 49 121.966 117.167 4.799 1
1 647 . 20 1 1 A 54 54 GLU H H 49 8.588 7.375 1.213 1
1 648 . 20 1 1 A 54 54 GLU CA C 49 56.604 55.591 1.013 1
1 649 . 20 1 1 A 54 54 GLU HA H 49 4.229 4.733 -0.504 1
1 650 . 20 1 1 A 54 54 GLU CB C 49 29.642 30.578 -0.936 1
1 656 . 20 1 1 A 54 54 GLU C C 49 176.589 176.924 -0.335 1
1 657 . 20 1 1 A 55 55 GLN N N 50 120.727 119.724 1.003 1
1 658 . 20 1 1 A 55 55 GLN H H 50 8.642 8.596 0.046 1
1 659 . 20 1 1 A 55 55 GLN CA C 50 56.165 57.806 -1.641 1
1 660 . 20 1 1 A 55 55 GLN HA H 50 4.226 4.166 0.060 1
1 661 . 20 1 1 A 55 55 GLN CB C 50 28.555 27.807 0.748 1
1 671 . 20 1 1 A 55 55 GLN C C 50 176.554 178.052 -1.498 1
1 672 . 20 1 1 A 56 56 GLY N N 51 109.357 109.428 -0.071 1
1 673 . 20 1 1 A 56 56 GLY H H 51 8.519 8.406 0.113 1
1 674 . 20 1 1 A 56 56 GLY CA C 51 45.276 46.964 -1.688 1
1 675 . 20 1 1 A 56 56 GLY HA2 H 51 3.951 3.968 -0.017 1
1 676 . 20 1 1 A 56 56 GLY HA3 H 51 3.815 3.969 -0.154 1
1 677 . 20 1 1 A 56 56 GLY C C 51 174.146 175.982 -1.836 1
1 678 . 20 1 1 A 57 57 GLN N N 52 119.207 120.520 -1.313 1
1 679 . 20 1 1 A 57 57 GLN H H 52 8.263 8.167 0.096 1
1 680 . 20 1 1 A 57 57 GLN CA C 52 55.650 58.498 -2.848 1
1 681 . 20 1 1 A 57 57 GLN HA H 52 4.217 4.255 -0.038 1
1 682 . 20 1 1 A 57 57 GLN CB C 52 28.723 28.707 0.016 1
1 692 . 20 1 1 A 57 57 GLN C C 52 175.872 178.781 -2.909 1
1 693 . 20 1 1 A 58 58 ARG N N 53 120.525 118.297 2.228 1
1 694 . 20 1 1 A 58 58 ARG H H 53 8.279 8.837 -0.558 1
1 695 . 20 1 1 A 58 58 ARG CA C 53 55.854 58.304 -2.450 1
1 696 . 20 1 1 A 58 58 ARG HA H 53 4.204 4.320 -0.116 1
1 697 . 20 1 1 A 58 58 ARG CB C 53 29.944 29.058 0.886 1
1 708 . 20 1 1 A 58 58 ARG C C 53 175.819 178.526 -2.707 1
1 709 . 20 1 1 A 59 59 HIS N N 54 118.905 120.134 -1.229 1
1 710 . 20 1 1 A 59 59 HIS H H 54 8.397 8.033 0.364 1
1 711 . 20 1 1 A 59 59 HIS CA C 54 55.130 58.639 -3.509 1
1 712 . 20 1 1 A 59 59 HIS HA H 54 4.554 4.516 0.038 1
1 713 . 20 1 1 A 59 59 HIS CB C 54 28.953 31.285 -2.332 1
1 716 . 20 1 1 A 59 59 HIS C C 54 174.248 175.137 -0.889 1
1 717 . 20 1 1 A 60 60 HIS N N 55 119.527 111.606 7.921 1
1 718 . 20 1 1 A 60 60 HIS H H 55 8.493 8.072 0.421 1
1 719 . 20 1 1 A 60 60 HIS CA C 55 55.589 53.986 1.603 1
1 720 . 20 1 1 A 60 60 HIS HA H 55 4.553 4.336 0.217 1
1 721 . 20 1 1 A 60 60 HIS CB C 55 28.913 31.331 -2.418 1
1 724 . 20 1 1 A 60 60 HIS C C 55 174.759 173.578 1.181 1
1 725 . 20 1 1 A 61 61 GLY N N 56 110.215 107.705 2.510 1
1 726 . 20 1 1 A 61 61 GLY H H 56 8.604 7.388 1.216 1
1 727 . 20 1 1 A 61 61 GLY CA C 56 44.977 45.316 -0.339 1
1 728 . 20 1 1 A 61 61 GLY HA2 H 56 3.958 3.467 0.491 1
1 729 . 20 1 1 A 61 61 GLY HA3 H 56 3.833 3.595 0.238 1
1 730 . 20 1 1 A 61 61 GLY C C 56 173.752 174.401 -0.649 1
1 731 . 20 1 1 A 62 62 TRP N N 57 120.700 117.201 3.499 1
1 732 . 20 1 1 A 62 62 TRP H H 57 8.175 7.221 0.954 1
1 733 . 20 1 1 A 62 62 TRP CA C 57 56.935 58.136 -1.201 1
1 734 . 20 1 1 A 62 62 TRP HA H 57 4.658 4.692 -0.034 1
1 735 . 20 1 1 A 62 62 TRP CB C 57 29.018 31.461 -2.443 1
1 750 . 20 1 1 A 62 62 TRP C C 57 176.442 177.370 -0.928 1
1 751 . 20 1 1 A 63 63 GLY N N 58 110.195 108.405 1.790 1
1 752 . 20 1 1 A 63 63 GLY H H 58 8.452 8.236 0.216 1
1 753 . 20 1 1 A 63 63 GLY CA C 58 45.052 45.420 -0.368 1
1 754 . 20 1 1 A 63 63 GLY HA2 H 58 3.925 3.997 -0.072 1
1 755 . 20 1 1 A 63 63 GLY HA3 H 58 3.833 4.008 -0.175 1
1 756 . 20 1 1 A 63 63 GLY C C 58 173.738 174.709 -0.971 1
1 757 . 20 1 1 A 64 64 ARG N N 59 120.374 119.716 0.658 1
1 758 . 20 1 1 A 64 64 ARG H H 59 8.136 8.559 -0.423 1
1 759 . 20 1 1 A 64 64 ARG CA C 59 55.779 57.342 -1.563 1
1 760 . 20 1 1 A 64 64 ARG HA H 59 4.287 4.041 0.246 1
1 761 . 20 1 1 A 64 64 ARG CB C 59 30.244 29.387 0.857 1
1 772 . 20 1 1 A 64 64 ARG C C 59 176.269 175.838 0.431 1
1 773 . 20 1 1 A 65 65 LYS N N 60 121.590 118.577 3.013 1
1 774 . 20 1 1 A 65 65 LYS H H 60 8.483 7.761 0.722 1
1 775 . 20 1 1 A 65 65 LYS CA C 60 56.435 57.137 -0.702 1
1 776 . 20 1 1 A 65 65 LYS HA H 60 4.226 4.480 -0.254 1
1 777 . 20 1 1 A 65 65 LYS CB C 60 32.259 34.806 -2.547 1
1 783 . 20 1 1 A 65 65 LYS C C 60 176.075 177.242 -1.167 1
1 784 . 20 1 1 A 66 66 ASN N N 61 118.654 117.924 0.730 1
1 785 . 20 1 1 A 66 66 ASN H H 61 8.413 8.614 -0.201 1
1 786 . 20 1 1 A 66 66 ASN CA C 61 53.042 55.887 -2.845 1
1 787 . 20 1 1 A 66 66 ASN HA H 61 4.651 4.480 0.171 1
1 788 . 20 1 1 A 66 66 ASN CB C 61 38.348 37.955 0.393 1
1 795 . 20 1 1 A 66 66 ASN C C 61 174.530 175.669 -1.139 1
1 796 . 20 1 1 A 67 67 SER N N 62 115.494 111.332 4.162 1
1 797 . 20 1 1 A 67 67 SER H H 62 8.289 8.126 0.163 1
1 798 . 20 1 1 A 67 67 SER CA C 62 58.090 59.190 -1.100 1
1 799 . 20 1 1 A 67 67 SER HA H 62 4.294 4.263 0.031 1
1 800 . 20 1 1 A 67 67 SER CB C 62 63.205 60.898 2.307 1
1 803 . 20 1 1 A 67 67 SER C C 62 173.894 173.961 -0.067 1
1 804 . 20 1 1 A 68 68 LEU N N 63 123.552 116.687 6.865 1
1 805 . 20 1 1 A 68 68 LEU H H 63 8.063 8.015 0.048 1
1 806 . 20 1 1 A 68 68 LEU CA C 63 54.124 54.046 0.078 1
1 807 . 20 1 1 A 68 68 LEU HA H 63 4.495 4.669 -0.174 1
1 808 . 20 1 1 A 68 68 LEU CB C 63 42.447 42.782 -0.335 1
1 821 . 20 1 1 A 68 68 LEU C C 63 176.587 176.178 0.409 1
1 822 . 20 1 1 A 69 69 THR N N 64 112.637 111.065 1.572 1
1 823 . 20 1 1 A 69 69 THR H H 64 7.797 7.526 0.271 1
1 824 . 20 1 1 A 69 69 THR CA C 64 60.021 59.417 0.604 1
1 825 . 20 1 1 A 69 69 THR HA H 64 4.490 4.782 -0.292 1
1 826 . 20 1 1 A 69 69 THR CB C 64 70.896 72.092 -1.196 1
1 832 . 20 1 1 A 69 69 THR C C 64 174.998 175.765 -0.767 1
1 833 . 20 1 1 A 70 70 LYS N N 65 120.128 119.156 0.972 1
1 834 . 20 1 1 A 70 70 LYS H H 65 9.059 9.084 -0.025 1
1 835 . 20 1 1 A 70 70 LYS CA C 65 59.374 59.021 0.353 1
1 836 . 20 1 1 A 70 70 LYS HA H 65 3.941 4.025 -0.084 1
1 837 . 20 1 1 A 70 70 LYS CB C 65 31.830 32.008 -0.178 1
1 843 . 20 1 1 A 70 70 LYS C C 65 177.539 178.554 -1.015 1
1 844 . 20 1 1 A 71 71 GLU N N 66 117.667 119.544 -1.877 1
1 845 . 20 1 1 A 71 71 GLU H H 66 8.699 8.202 0.497 1
1 846 . 20 1 1 A 71 71 GLU CA C 66 60.307 58.958 1.349 1
1 847 . 20 1 1 A 71 71 GLU HA H 66 3.812 3.975 -0.163 1
1 848 . 20 1 1 A 71 71 GLU CB C 66 27.903 29.486 -1.583 1
1 855 . 20 1 1 A 71 71 GLU C C 66 178.499 179.115 -0.616 1
1 856 . 20 1 1 A 72 72 ALA N N 67 123.914 122.786 1.128 1
1 857 . 20 1 1 A 72 72 ALA H H 67 7.991 7.591 0.400 1
1 858 . 20 1 1 A 72 72 ALA CA C 67 54.601 54.955 -0.354 1
1 859 . 20 1 1 A 72 72 ALA HA H 67 4.116 4.052 0.064 1
1 863 . 20 1 1 A 72 72 ALA CB C 67 18.288 18.407 -0.119 1
1 864 . 20 1 1 A 72 72 ALA C C 67 178.721 179.546 -0.825 1
1 865 . 20 1 1 A 73 73 VAL N N 68 119.435 117.855 1.580 1
1 866 . 20 1 1 A 73 73 VAL H H 68 8.045 8.027 0.018 1
1 867 . 20 1 1 A 73 73 VAL CA C 68 66.211 66.604 -0.393 1
1 868 . 20 1 1 A 73 73 VAL HA H 68 3.470 3.560 -0.090 1
1 869 . 20 1 1 A 73 73 VAL CB C 68 31.103 31.615 -0.512 1
1 879 . 20 1 1 A 73 73 VAL C C 68 177.001 178.631 -1.630 1
1 880 . 20 1 1 A 74 74 ALA N N 69 120.667 121.501 -0.834 1
1 881 . 20 1 1 A 74 74 ALA H H 69 8.407 7.971 0.436 1
1 882 . 20 1 1 A 74 74 ALA CA C 69 54.687 55.112 -0.425 1
1 883 . 20 1 1 A 74 74 ALA HA H 69 3.981 4.090 -0.109 1
1 887 . 20 1 1 A 74 74 ALA CB C 69 18.048 18.026 0.022 1
1 888 . 20 1 1 A 74 74 ALA C C 69 178.865 179.595 -0.730 1
1 889 . 20 1 1 A 75 75 LYS N N 70 118.628 118.052 0.576 1
1 890 . 20 1 1 A 75 75 LYS H H 70 7.930 7.955 -0.025 1
1 891 . 20 1 1 A 75 75 LYS CA C 70 58.914 60.034 -1.120 1
1 892 . 20 1 1 A 75 75 LYS HA H 70 4.105 3.975 0.130 1
1 893 . 20 1 1 A 75 75 LYS CB C 70 31.806 32.166 -0.360 1
1 903 . 20 1 1 A 75 75 LYS C C 70 177.409 178.687 -1.278 1
1 904 . 20 1 1 A 76 76 ILE N N 71 120.231 119.656 0.575 1
1 905 . 20 1 1 A 76 76 ILE H H 71 7.478 7.802 -0.324 1
1 906 . 20 1 1 A 76 76 ILE CA C 71 64.835 64.996 -0.161 1
1 907 . 20 1 1 A 76 76 ILE HA H 71 3.973 3.647 0.326 1
1 908 . 20 1 1 A 76 76 ILE CB C 71 37.788 37.947 -0.159 1
1 921 . 20 1 1 A 76 76 ILE C C 71 179.734 177.725 2.009 1
1 922 . 20 1 1 A 77 77 VAL N N 72 122.505 119.614 2.891 1
1 923 . 20 1 1 A 77 77 VAL H H 72 8.325 7.855 0.470 1
1 924 . 20 1 1 A 77 77 VAL CA C 72 67.425 67.021 0.404 1
1 925 . 20 1 1 A 77 77 VAL HA H 72 3.581 3.658 -0.077 1
1 926 . 20 1 1 A 77 77 VAL CB C 72 30.885 31.500 -0.615 1
1 936 . 20 1 1 A 77 77 VAL C C 72 176.939 177.124 -0.185 1
1 937 . 20 1 1 A 78 78 ASP N N 73 120.524 120.038 0.486 1
1 938 . 20 1 1 A 78 78 ASP H H 73 8.798 8.143 0.655 1
1 939 . 20 1 1 A 78 78 ASP CA C 73 58.163 57.640 0.523 1
1 940 . 20 1 1 A 78 78 ASP HA H 73 4.392 4.523 -0.131 1
1 941 . 20 1 1 A 78 78 ASP CB C 73 41.459 40.428 1.031 1
1 945 . 20 1 1 A 78 78 ASP C C 73 178.122 178.885 -0.763 1
1 946 . 20 1 1 A 79 79 ASP N N 74 119.762 119.678 0.084 1
1 947 . 20 1 1 A 79 79 ASP H H 74 9.318 8.046 1.272 1
1 948 . 20 1 1 A 79 79 ASP CA C 74 57.122 57.213 -0.091 1
1 949 . 20 1 1 A 79 79 ASP HA H 74 4.405 4.324 0.081 1
1 950 . 20 1 1 A 79 79 ASP CB C 74 39.850 40.395 -0.545 1
1 954 . 20 1 1 A 79 79 ASP C C 74 178.921 178.828 0.093 1
1 955 . 20 1 1 A 80 80 THR N N 75 117.347 117.042 0.305 1
1 956 . 20 1 1 A 80 80 THR H H 75 8.084 7.887 0.197 1
1 957 . 20 1 1 A 80 80 THR CA C 75 67.055 66.331 0.724 1
1 958 . 20 1 1 A 80 80 THR HA H 75 3.846 3.624 0.222 1
1 959 . 20 1 1 A 80 80 THR CB C 75 67.692 67.756 -0.064 1
1 965 . 20 1 1 A 80 80 THR C C 75 175.367 175.871 -0.504 1
1 966 . 20 1 1 A 81 81 TYR N N 76 123.735 121.352 2.383 1
1 967 . 20 1 1 A 81 81 TYR H H 76 8.830 8.107 0.723 1
1 968 . 20 1 1 A 81 81 TYR CA C 76 61.712 61.940 -0.228 1
1 969 . 20 1 1 A 81 81 TYR HA H 76 4.269 4.310 -0.041 1
1 970 . 20 1 1 A 81 81 TYR CB C 76 38.639 38.898 -0.259 1
1 974 . 20 1 1 A 81 81 TYR C C 76 176.700 177.360 -0.660 1
1 975 . 20 1 1 A 82 82 ARG N N 77 118.508 120.246 -1.738 1
1 976 . 20 1 1 A 82 82 ARG H H 77 8.755 8.677 0.078 1
1 977 . 20 1 1 A 82 82 ARG CA C 77 58.776 58.804 -0.028 1
1 978 . 20 1 1 A 82 82 ARG HA H 77 3.892 4.043 -0.151 1
1 979 . 20 1 1 A 82 82 ARG CB C 77 29.459 30.323 -0.864 1
1 995 . 20 1 1 A 82 82 ARG C C 77 178.748 178.428 0.320 1
1 996 . 20 1 1 A 83 83 LYS N N 78 118.075 119.742 -1.667 1
1 997 . 20 1 1 A 83 83 LYS H H 78 7.696 7.883 -0.187 1
1 998 . 20 1 1 A 83 83 LYS CA C 78 58.614 58.936 -0.322 1
1 999 . 20 1 1 A 83 83 LYS HA H 78 4.031 4.092 -0.061 1
1 1000 . 20 1 1 A 83 83 LYS CB C 78 32.055 31.688 0.367 1
1 1005 . 20 1 1 A 83 83 LYS C C 78 177.890 179.389 -1.499 1
1 1006 . 20 1 1 A 84 84 MET N N 79 118.233 118.346 -0.113 1
1 1007 . 20 1 1 A 84 84 MET H H 79 7.748 7.993 -0.245 1
1 1008 . 20 1 1 A 84 84 MET CA C 79 57.254 58.132 -0.878 1
1 1009 . 20 1 1 A 84 84 MET HA H 79 4.189 4.142 0.047 1
1 1010 . 20 1 1 A 84 84 MET CB C 79 32.169 33.553 -1.384 1
1 1020 . 20 1 1 A 84 84 MET C C 79 177.036 177.604 -0.568 1
1 1021 . 20 1 1 A 85 85 GLN N N 80 117.242 113.054 4.188 1
1 1022 . 20 1 1 A 85 85 GLN H H 80 7.843 7.405 0.438 1
1 1023 . 20 1 1 A 85 85 GLN CA C 80 56.500 54.667 1.833 1
1 1024 . 20 1 1 A 85 85 GLN HA H 80 3.993 4.435 -0.442 1
1 1025 . 20 1 1 A 85 85 GLN CB C 80 28.124 30.031 -1.907 1
1 1035 . 20 1 1 A 85 85 GLN C C 80 176.756 176.910 -0.154 1
1 1036 . 20 1 1 A 86 86 ILE N N 81 119.178 115.202 3.976 1
1 1037 . 20 1 1 A 86 86 ILE H H 81 7.715 7.604 0.111 1
1 1038 . 20 1 1 A 86 86 ILE CA C 81 61.995 63.969 -1.974 1
1 1039 . 20 1 1 A 86 86 ILE HA H 81 3.948 4.128 -0.180 1
1 1040 . 20 1 1 A 86 86 ILE CB C 81 37.856 36.304 1.552 1
1 1052 . 20 1 1 A 86 86 ILE C C 81 176.728 175.461 1.267 1
1 1053 . 20 1 1 A 87 87 GLN N N 82 121.380 120.755 0.625 1
1 1054 . 20 1 1 A 87 87 GLN H H 82 8.164 8.149 0.015 1
1 1055 . 20 1 1 A 87 87 GLN CA C 82 56.075 55.734 0.341 1
1 1056 . 20 1 1 A 87 87 GLN HA H 82 4.227 4.272 -0.045 1
1 1057 . 20 1 1 A 87 87 GLN CB C 82 28.735 29.012 -0.277 1
1 1066 . 20 1 1 A 87 87 GLN C C 82 175.836 175.186 0.650 1
1 1067 . 20 1 1 A 88 88 CYS N N 83 118.668 125.803 -7.135 1
1 1068 . 20 1 1 A 88 88 CYS H H 83 8.238 8.028 0.210 1
1 1069 . 20 1 1 A 88 88 CYS CA C 83 58.012 60.017 -2.005 1
1 1070 . 20 1 1 A 88 88 CYS HA H 83 4.475 4.673 -0.198 1
1 1071 . 20 1 1 A 88 88 CYS CB C 83 27.697 30.421 -2.724 1
1 1074 . 20 1 1 A 88 88 CYS C C 83 173.428 174.518 -1.090 1
1 1075 . 20 1 1 A 89 89 ALA N N 84 127.014 121.216 5.798 1
1 1076 . 20 1 1 A 89 89 ALA H H 84 8.249 7.991 0.258 1
1 1077 . 20 1 1 A 89 89 ALA CA C 84 50.615 52.842 -2.227 1
1 1078 . 20 1 1 A 89 89 ALA HA H 84 4.562 4.044 0.518 1
1 1082 . 20 1 1 A 89 89 ALA CB C 84 17.465 17.571 -0.106 1
1 1083 . 20 1 1 A 89 89 ALA C C 84 175.125 178.301 -3.176 1
1 1085 . 20 1 1 A 90 90 PRO CA C 85 63.085 63.707 -0.622 1
1 1086 . 20 1 1 A 90 90 PRO HA H 85 4.386 4.434 -0.048 1
1 1087 . 20 1 1 A 90 90 PRO CB C 85 31.491 32.158 -0.667 1
1 1095 . 20 1 1 A 90 90 PRO C C 85 176.381 177.039 -0.658 1
1 1096 . 20 1 1 A 91 91 ASP N N 86 119.209 118.744 0.465 1
1 1097 . 20 1 1 A 91 91 ASP H H 86 8.429 8.142 0.287 1
1 1098 . 20 1 1 A 91 91 ASP CA C 86 53.752 54.802 -1.050 1
1 1099 . 20 1 1 A 91 91 ASP HA H 86 4.394 4.324 0.070 1
1 1100 . 20 1 1 A 91 91 ASP CB C 86 40.319 39.098 1.221 1
1 1103 . 20 1 1 A 91 91 ASP C C 86 176.101 176.148 -0.047 1
1 1104 . 20 1 1 A 92 92 LEU N N 87 122.571 121.022 1.549 1
1 1105 . 20 1 1 A 92 92 LEU H H 87 8.208 8.069 0.139 1
1 1106 . 20 1 1 A 92 92 LEU CA C 87 55.327 56.801 -1.474 1
1 1107 . 20 1 1 A 92 92 LEU HA H 87 4.205 4.077 0.128 1
1 1108 . 20 1 1 A 92 92 LEU CB C 87 41.636 42.232 -0.596 1
1 1121 . 20 1 1 A 92 92 LEU C C 87 177.406 176.317 1.089 1
1 1122 . 20 1 1 A 93 93 ALA N N 88 123.131 120.573 2.558 1
1 1123 . 20 1 1 A 93 93 ALA H H 88 8.305 7.936 0.369 1
1 1124 . 20 1 1 A 93 93 ALA CA C 88 52.823 53.434 -0.611 1
1 1125 . 20 1 1 A 93 93 ALA HA H 88 4.245 4.007 0.238 1
1 1129 . 20 1 1 A 93 93 ALA CB C 88 18.496 17.611 0.885 1
1 1130 . 20 1 1 A 93 93 ALA C C 88 178.033 176.421 1.612 1
1 1131 . 20 1 1 A 94 94 THR N N 89 112.097 102.374 9.723 1
1 1132 . 20 1 1 A 94 94 THR H H 89 7.994 8.236 -0.242 1
1 1133 . 20 1 1 A 94 94 THR CA C 89 61.892 62.999 -1.107 1
1 1134 . 20 1 1 A 94 94 THR HA H 89 4.247 3.885 0.362 1
1 1135 . 20 1 1 A 94 94 THR CB C 89 69.076 66.339 2.737 1
1 1141 . 20 1 1 A 94 94 THR C C 89 174.478 173.862 0.616 1
1 1142 . 20 1 1 A 95 95 ARG N N 90 122.704 113.172 9.532 1
1 1143 . 20 1 1 A 95 95 ARG H H 90 8.211 8.208 0.003 1
1 1144 . 20 1 1 A 95 95 ARG CA C 90 55.803 57.095 -1.292 1
1 1145 . 20 1 1 A 95 95 ARG HA H 90 4.336 3.895 0.441 1
1 1146 . 20 1 1 A 95 95 ARG CB C 90 30.263 27.489 2.774 1
1 1157 . 20 1 1 A 95 95 ARG C C 90 175.958 174.524 1.434 1
1 1158 . 20 1 1 A 96 96 SER N N 91 116.390 113.699 2.691 1
1 1159 . 20 1 1 A 96 96 SER H H 91 8.365 7.606 0.759 1
1 1160 . 20 1 1 A 96 96 SER CA C 91 58.011 57.368 0.643 1
1 1161 . 20 1 1 A 96 96 SER HA H 91 4.383 4.704 -0.321 1
1 1162 . 20 1 1 A 96 96 SER CB C 91 63.261 63.157 0.104 1
1 1165 . 20 1 1 A 96 96 SER C C 91 174.016 174.250 -0.234 1
1 1166 . 20 1 1 A 97 97 HIS N N 92 120.507 126.379 -5.872 1
1 1167 . 20 1 1 A 97 97 HIS H H 92 8.541 8.869 -0.328 1
1 1168 . 20 1 1 A 97 97 HIS CA C 92 55.068 57.626 -2.558 1
1 1169 . 20 1 1 A 97 97 HIS HA H 92 4.707 4.671 0.036 1
1 1170 . 20 1 1 A 97 97 HIS CB C 92 28.839 31.323 -2.484 1
1 1173 . 20 1 1 A 97 97 HIS C C 92 174.186 175.156 -0.970 1
1 1174 . 20 1 1 A 98 98 SER N N 93 116.801 113.928 2.873 1
1 1175 . 20 1 1 A 98 98 SER H H 93 8.455 7.840 0.615 1
1 1176 . 20 1 1 A 98 98 SER CA C 93 58.046 57.460 0.586 1
1 1177 . 20 1 1 A 98 98 SER HA H 93 4.450 4.581 -0.131 1
1 1178 . 20 1 1 A 98 98 SER CB C 93 63.434 63.863 -0.429 1
1 1181 . 20 1 1 A 98 98 SER C C 93 174.553 172.924 1.629 1
1 1182 . 20 1 1 A 99 99 GLY N N 94 111.114 109.226 1.888 1
1 1183 . 20 1 1 A 99 99 GLY H H 94 8.597 7.623 0.974 1
1 1184 . 20 1 1 A 99 99 GLY CA C 94 44.888 45.732 -0.844 1
1 1185 . 20 1 1 A 99 99 GLY HA2 H 94 3.998 4.194 -0.196 1
1 1186 . 20 1 1 A 99 99 GLY HA3 H 94 3.998 4.217 -0.219 1
1 1187 . 20 1 1 A 99 99 GLY C C 94 173.856 172.546 1.310 1
1 1188 . 20 1 1 A 100 100 SER N N 95 115.398 119.070 -3.672 1
1 1189 . 20 1 1 A 100 100 SER H H 95 8.311 8.938 -0.627 1
1 1190 . 20 1 1 A 100 100 SER CA C 95 57.909 58.062 -0.153 1
1 1191 . 20 1 1 A 100 100 SER HA H 95 4.422 4.897 -0.475 1
1 1192 . 20 1 1 A 100 100 SER CB C 95 63.377 65.762 -2.385 1
1 1195 . 20 1 1 A 100 100 SER C C 95 173.695 172.755 0.940 1
1 1196 . 20 1 1 A 101 101 ASP N N 96 121.810 124.683 -2.873 1
1 1197 . 20 1 1 A 101 101 ASP H H 96 8.380 8.901 -0.521 1
1 1198 . 20 1 1 A 101 101 ASP CA C 96 53.797 55.841 -2.044 1
1 1199 . 20 1 1 A 101 101 ASP HA H 96 4.546 4.281 0.265 1
1 1200 . 20 1 1 A 101 101 ASP CB C 96 40.440 39.581 0.859 1
1 1203 . 20 1 1 A 101 101 ASP C C 96 175.547 175.724 -0.177 1
1 1204 . 20 1 1 A 102 102 PHE N N 97 120.706 119.361 1.345 1
1 1205 . 20 1 1 A 102 102 PHE H H 97 8.249 8.252 -0.003 1
1 1206 . 20 1 1 A 102 102 PHE CA C 97 57.444 58.190 -0.746 1
1 1207 . 20 1 1 A 102 102 PHE HA H 97 4.546 4.625 -0.079 1
1 1208 . 20 1 1 A 102 102 PHE CB C 97 38.772 39.832 -1.060 1
1 1214 . 20 1 1 A 102 102 PHE C C 97 175.312 175.810 -0.498 1
1 1215 . 20 1 1 A 103 103 SER N N 98 116.992 115.153 1.839 1
1 1216 . 20 1 1 A 103 103 SER H H 98 8.167 8.027 0.140 1
1 1217 . 20 1 1 A 103 103 SER CA C 98 57.983 57.667 0.316 1
1 1218 . 20 1 1 A 103 103 SER HA H 98 4.314 4.802 -0.488 1
1 1219 . 20 1 1 A 103 103 SER CB C 98 63.384 63.709 -0.325 1
1 1222 . 20 1 1 A 103 103 SER C C 98 173.286 173.125 0.161 1
1 1223 . 20 1 1 A 104 104 PHE N N 99 122.000 124.371 -2.371 1
1 1224 . 20 1 1 A 104 104 PHE H H 99 8.170 8.513 -0.343 1
1 1225 . 20 1 1 A 104 104 PHE CA C 99 57.354 56.641 0.713 1
1 1226 . 20 1 1 A 104 104 PHE HA H 99 4.545 4.747 -0.202 1
1 1227 . 20 1 1 A 104 104 PHE CB C 99 39.045 38.193 0.852 1
1 1233 . 20 1 1 A 104 104 PHE C C 99 174.621 174.330 0.291 1
1 1234 . 20 1 1 A 105 105 ARG N N 100 124.796 125.573 -0.777 1
1 1235 . 20 1 1 A 105 105 ARG H H 100 8.101 8.013 0.088 1
1 1236 . 20 1 1 A 105 105 ARG CA C 100 52.919 53.303 -0.384 1
1 1237 . 20 1 1 A 105 105 ARG HA H 100 4.542 4.848 -0.306 1
1 1238 . 20 1 1 A 105 105 ARG CB C 100 29.973 30.955 -0.982 1
1 1247 . 20 1 1 A 105 105 ARG C C 100 172.924 173.115 -0.191 1
1 1249 . 20 1 1 A 106 106 PRO CA C 101 62.366 62.267 0.099 1
1 1250 . 20 1 1 A 106 106 PRO HA H 101 4.349 4.702 -0.353 1
1 1251 . 20 1 1 A 106 106 PRO CB C 101 31.609 33.207 -1.598 1
1 1259 . 20 1 1 A 106 106 PRO C C 101 176.395 176.350 0.045 1
1 1260 . 20 1 1 A 107 107 ILE N N 102 121.380 121.074 0.306 1
1 1261 . 20 1 1 A 107 107 ILE H H 102 8.350 8.338 0.012 1
1 1262 . 20 1 1 A 107 107 ILE CA C 102 60.925 60.393 0.532 1
1 1263 . 20 1 1 A 107 107 ILE HA H 102 4.050 4.566 -0.516 1
1 1264 . 20 1 1 A 107 107 ILE CB C 102 38.165 38.860 -0.695 1
1 1277 . 20 1 1 A 107 107 ILE C C 102 175.990 176.364 -0.374 1
1 1278 . 20 1 1 A 108 108 GLU N N 103 124.836 122.640 2.196 1
1 1279 . 20 1 1 A 108 108 GLU H H 103 8.578 7.925 0.653 1
1 1280 . 20 1 1 A 108 108 GLU CA C 103 55.915 59.282 -3.367 1
1 1281 . 20 1 1 A 108 108 GLU HA H 103 4.279 3.896 0.383 1
1 1282 . 20 1 1 A 108 108 GLU CB C 103 29.902 29.531 0.371 1
1 1288 . 20 1 1 A 108 108 GLU C C 103 175.678 176.406 -0.728 1
1 1289 . 20 1 1 A 109 109 GLU N N 104 122.847 119.253 3.594 1
1 1290 . 20 1 1 A 109 109 GLU H H 104 8.459 7.975 0.484 1
1 1291 . 20 1 1 A 109 109 GLU CA C 104 55.845 57.237 -1.392 1
1 1292 . 20 1 1 A 109 109 GLU HA H 104 4.273 3.994 0.279 1
1 1293 . 20 1 1 A 109 109 GLU CB C 104 29.990 28.014 1.976 1
1 1299 . 20 1 1 A 109 109 GLU C C 104 174.661 176.037 -1.376 1
2 3 . 1 1 1 A 2 2 SER N N -4 115.528 120.131 -4.603 1
2 4 . 1 1 1 A 2 2 SER H H -4 8.751 8.516 0.235 1
2 5 . 1 1 1 A 2 2 SER CA C -4 57.687 57.388 0.299 1
2 6 . 1 1 1 A 2 2 SER HA H -4 4.451 4.780 -0.329 1
2 7 . 1 1 1 A 2 2 SER CB C -4 63.389 63.158 0.231 1
2 8 . 1 1 1 A 2 2 SER C C -4 173.913 174.192 -0.279 1
2 9 . 1 1 1 A 3 3 HIS N N -3 120.998 116.813 4.185 1
2 10 . 1 1 1 A 3 3 HIS H H -3 8.769 7.966 0.803 1
2 11 . 1 1 1 A 3 3 HIS CA C -3 55.010 56.876 -1.866 1
2 12 . 1 1 1 A 3 3 HIS HA H -3 4.707 4.210 0.497 1
2 13 . 1 1 1 A 3 3 HIS CB C -3 28.916 26.679 2.237 1
2 16 . 1 1 1 A 3 3 HIS C C -3 174.207 174.222 -0.015 1
2 17 . 1 1 1 A 4 4 MET N N -2 122.227 117.115 5.112 1
2 18 . 1 1 1 A 4 4 MET H H -2 8.518 7.632 0.886 1
2 19 . 1 1 1 A 4 4 MET CA C -2 55.014 54.819 0.195 1
2 20 . 1 1 1 A 4 4 MET HA H -2 4.418 4.780 -0.362 1
2 21 . 1 1 1 A 4 4 MET CB C -2 32.678 33.386 -0.708 1
2 31 . 1 1 1 A 4 4 MET C C -2 175.481 174.604 0.877 1
2 49 . 1 1 1 A 7 7 ALA N N 2 124.549 122.774 1.775 1
2 50 . 1 1 1 A 7 7 ALA H H 2 8.453 8.151 0.302 1
2 51 . 1 1 1 A 7 7 ALA CA C 2 53.221 54.446 -1.225 1
2 52 . 1 1 1 A 7 7 ALA HA H 2 4.194 4.091 0.103 1
2 56 . 1 1 1 A 7 7 ALA CB C 2 18.431 18.215 0.216 1
2 57 . 1 1 1 A 7 7 ALA C C 2 178.162 179.249 -1.087 1
2 58 . 1 1 1 A 8 8 ASP N N 3 118.618 118.730 -0.112 1
2 59 . 1 1 1 A 8 8 ASP H H 3 8.064 7.848 0.216 1
2 60 . 1 1 1 A 8 8 ASP CA C 3 54.124 56.649 -2.525 1
2 61 . 1 1 1 A 8 8 ASP HA H 3 4.539 4.337 0.202 1
2 62 . 1 1 1 A 8 8 ASP CB C 3 40.341 40.871 -0.530 1
2 65 . 1 1 1 A 8 8 ASP C C 3 176.694 178.260 -1.566 1
2 66 . 1 1 1 A 9 9 LEU N N 4 123.427 120.431 2.996 1
2 67 . 1 1 1 A 9 9 LEU H H 4 8.202 7.896 0.306 1
2 68 . 1 1 1 A 9 9 LEU CA C 4 57.495 57.909 -0.414 1
2 69 . 1 1 1 A 9 9 LEU HA H 4 4.086 4.000 0.086 1
2 70 . 1 1 1 A 9 9 LEU CB C 4 41.905 41.596 0.309 1
2 82 . 1 1 1 A 9 9 LEU C C 4 178.839 178.677 0.162 1
2 83 . 1 1 1 A 10 10 VAL N N 5 119.385 119.151 0.234 1
2 84 . 1 1 1 A 10 10 VAL H H 5 8.186 8.300 -0.114 1
2 85 . 1 1 1 A 10 10 VAL CA C 5 66.585 66.667 -0.082 1
2 86 . 1 1 1 A 10 10 VAL HA H 5 3.420 3.512 -0.092 1
2 87 . 1 1 1 A 10 10 VAL CB C 5 31.177 31.555 -0.378 1
2 97 . 1 1 1 A 10 10 VAL C C 5 177.439 177.747 -0.308 1
2 98 . 1 1 1 A 11 11 SER N N 6 115.027 115.881 -0.854 1
2 99 . 1 1 1 A 11 11 SER H H 6 8.252 8.078 0.174 1
2 100 . 1 1 1 A 11 11 SER CA C 6 61.152 62.075 -0.923 1
2 101 . 1 1 1 A 11 11 SER HA H 6 4.055 4.140 -0.085 1
2 102 . 1 1 1 A 11 11 SER CB C 6 62.161 62.683 -0.522 1
2 105 . 1 1 1 A 11 11 SER C C 6 176.036 176.438 -0.402 1
2 106 . 1 1 1 A 12 12 SER N N 7 115.144 117.286 -2.142 1
2 107 . 1 1 1 A 12 12 SER H H 7 8.053 8.103 -0.050 1
2 108 . 1 1 1 A 12 12 SER CA C 7 60.168 61.711 -1.543 1
2 109 . 1 1 1 A 12 12 SER HA H 7 4.284 4.114 0.170 1
2 110 . 1 1 1 A 12 12 SER CB C 7 62.706 63.007 -0.301 1
2 113 . 1 1 1 A 12 12 SER C C 7 176.540 176.414 0.126 1
2 114 . 1 1 1 A 13 13 CYS N N 8 118.211 119.219 -1.008 1
2 115 . 1 1 1 A 13 13 CYS H H 8 7.919 8.562 -0.643 1
2 116 . 1 1 1 A 13 13 CYS CA C 8 63.651 64.016 -0.365 1
2 117 . 1 1 1 A 13 13 CYS HA H 8 4.026 4.176 -0.150 1
2 118 . 1 1 1 A 13 13 CYS CB C 8 26.641 26.911 -0.270 1
2 121 . 1 1 1 A 13 13 CYS C C 8 175.645 177.081 -1.436 1
2 122 . 1 1 1 A 14 14 LYS N N 9 120.074 121.321 -1.247 1
2 123 . 1 1 1 A 14 14 LYS H H 9 8.632 8.156 0.476 1
2 124 . 1 1 1 A 14 14 LYS CA C 9 60.441 59.507 0.934 1
2 125 . 1 1 1 A 14 14 LYS HA H 9 3.672 4.062 -0.390 1
2 126 . 1 1 1 A 14 14 LYS CB C 9 31.685 32.147 -0.462 1
2 138 . 1 1 1 A 14 14 LYS C C 9 177.615 178.052 -0.437 1
2 139 . 1 1 1 A 15 15 ASP N N 10 117.613 119.565 -1.952 1
2 140 . 1 1 1 A 15 15 ASP H H 10 7.732 8.221 -0.489 1
2 141 . 1 1 1 A 15 15 ASP CA C 10 56.175 57.421 -1.246 1
2 142 . 1 1 1 A 15 15 ASP HA H 10 4.307 4.290 0.017 1
2 143 . 1 1 1 A 15 15 ASP CB C 10 40.056 41.607 -1.551 1
2 146 . 1 1 1 A 15 15 ASP C C 10 177.650 178.791 -1.141 1
2 147 . 1 1 1 A 16 16 LYS N N 11 117.878 118.305 -0.427 1
2 148 . 1 1 1 A 16 16 LYS H H 11 7.254 7.900 -0.646 1
2 149 . 1 1 1 A 16 16 LYS CA C 11 58.962 59.366 -0.404 1
2 150 . 1 1 1 A 16 16 LYS HA H 11 3.645 4.080 -0.435 1
2 151 . 1 1 1 A 16 16 LYS CB C 11 32.951 32.634 0.317 1
2 160 . 1 1 1 A 16 16 LYS C C 11 177.263 178.776 -1.513 1
2 161 . 1 1 1 A 17 17 LEU N N 12 115.652 121.905 -6.253 1
2 162 . 1 1 1 A 17 17 LEU H H 12 8.138 8.487 -0.349 1
2 163 . 1 1 1 A 17 17 LEU CA C 12 56.726 58.203 -1.477 1
2 164 . 1 1 1 A 17 17 LEU HA H 12 3.579 4.252 -0.673 1
2 165 . 1 1 1 A 17 17 LEU CB C 12 41.959 41.548 0.411 1
2 176 . 1 1 1 A 17 17 LEU C C 12 177.485 178.746 -1.261 1
2 177 . 1 1 1 A 18 18 ALA N N 13 116.044 120.983 -4.939 1
2 178 . 1 1 1 A 18 18 ALA H H 13 7.080 8.642 -1.562 1
2 179 . 1 1 1 A 18 18 ALA CA C 13 53.389 54.989 -1.600 1
2 180 . 1 1 1 A 18 18 ALA HA H 13 3.963 4.130 -0.167 1
2 184 . 1 1 1 A 18 18 ALA CB C 13 18.161 18.431 -0.270 1
2 185 . 1 1 1 A 18 18 ALA C C 13 178.207 179.345 -1.138 1
2 186 . 1 1 1 A 19 19 TYR N N 14 115.556 119.631 -4.075 1
2 187 . 1 1 1 A 19 19 TYR H H 14 7.675 7.805 -0.130 1
2 188 . 1 1 1 A 19 19 TYR CA C 14 58.647 59.807 -1.160 1
2 189 . 1 1 1 A 19 19 TYR HA H 14 4.304 4.179 0.125 1
2 190 . 1 1 1 A 19 19 TYR CB C 14 38.609 38.972 -0.363 1
2 199 . 1 1 1 A 19 19 TYR C C 14 175.911 175.747 0.164 1
2 200 . 1 1 1 A 20 20 PHE N N 15 118.275 119.567 -1.292 1
2 201 . 1 1 1 A 20 20 PHE H H 15 7.406 7.784 -0.378 1
2 202 . 1 1 1 A 20 20 PHE CA C 15 56.615 56.854 -0.239 1
2 203 . 1 1 1 A 20 20 PHE HA H 15 4.649 4.805 -0.156 1
2 204 . 1 1 1 A 20 20 PHE CB C 15 38.750 40.543 -1.793 1
2 215 . 1 1 1 A 20 20 PHE C C 15 176.160 175.703 0.457 1
2 216 . 1 1 1 A 21 21 ARG N N 16 119.140 122.612 -3.472 1
2 217 . 1 1 1 A 21 21 ARG H H 16 8.714 8.639 0.075 1
2 218 . 1 1 1 A 21 21 ARG CA C 16 54.349 56.610 -2.261 1
2 219 . 1 1 1 A 21 21 ARG HA H 16 4.751 4.306 0.445 1
2 220 . 1 1 1 A 21 21 ARG CB C 16 30.097 31.185 -1.088 1
2 236 . 1 1 1 A 21 21 ARG C C 16 177.095 177.717 -0.622 1
2 237 . 1 1 1 A 22 22 ILE N N 17 120.734 122.104 -1.370 1
2 238 . 1 1 1 A 22 22 ILE H H 17 8.708 8.814 -0.106 1
2 239 . 1 1 1 A 22 22 ILE CA C 17 65.145 64.836 0.309 1
2 240 . 1 1 1 A 22 22 ILE HA H 17 3.720 3.719 0.001 1
2 241 . 1 1 1 A 22 22 ILE CB C 17 36.857 37.707 -0.850 1
2 254 . 1 1 1 A 22 22 ILE C C 17 176.745 177.956 -1.211 1
2 255 . 1 1 1 A 23 23 LYS N N 18 118.184 121.321 -3.137 1
2 256 . 1 1 1 A 23 23 LYS H H 18 8.267 8.202 0.065 1
2 257 . 1 1 1 A 23 23 LYS CA C 18 59.829 59.881 -0.052 1
2 258 . 1 1 1 A 23 23 LYS HA H 18 3.897 3.916 -0.019 1
2 259 . 1 1 1 A 23 23 LYS CB C 18 32.268 32.271 -0.003 1
2 271 . 1 1 1 A 23 23 LYS C C 18 178.159 178.754 -0.595 1
2 272 . 1 1 1 A 24 24 GLU N N 19 117.654 120.081 -2.427 1
2 273 . 1 1 1 A 24 24 GLU H H 19 7.198 8.136 -0.938 1
2 274 . 1 1 1 A 24 24 GLU CA C 19 60.612 59.186 1.426 1
2 275 . 1 1 1 A 24 24 GLU HA H 19 4.030 3.916 0.114 1
2 276 . 1 1 1 A 24 24 GLU CB C 19 28.859 29.392 -0.533 1
2 282 . 1 1 1 A 24 24 GLU C C 19 178.521 179.192 -0.671 1
2 283 . 1 1 1 A 25 25 LEU N N 20 119.236 120.265 -1.029 1
2 284 . 1 1 1 A 25 25 LEU H H 20 7.980 8.273 -0.293 1
2 285 . 1 1 1 A 25 25 LEU CA C 20 57.676 57.846 -0.170 1
2 286 . 1 1 1 A 25 25 LEU HA H 20 3.904 4.019 -0.115 1
2 287 . 1 1 1 A 25 25 LEU CB C 20 42.218 40.662 1.556 1
2 294 . 1 1 1 A 25 25 LEU C C 20 177.990 179.172 -1.182 1
2 295 . 1 1 1 A 26 26 LYS N N 21 117.457 121.042 -3.585 1
2 296 . 1 1 1 A 26 26 LYS H H 21 8.770 8.378 0.392 1
2 297 . 1 1 1 A 26 26 LYS CA C 21 60.660 59.851 0.809 1
2 298 . 1 1 1 A 26 26 LYS HA H 21 3.787 3.967 -0.180 1
2 299 . 1 1 1 A 26 26 LYS CB C 21 31.876 31.704 0.172 1
2 300 . 1 1 1 A 26 26 LYS C C 21 177.625 178.849 -1.224 1
2 301 . 1 1 1 A 27 27 ASP N N 22 119.023 119.826 -0.803 1
2 302 . 1 1 1 A 27 27 ASP H H 22 7.671 8.067 -0.396 1
2 303 . 1 1 1 A 27 27 ASP CA C 22 56.974 57.078 -0.104 1
2 304 . 1 1 1 A 27 27 ASP HA H 22 4.392 4.451 -0.059 1
2 305 . 1 1 1 A 27 27 ASP CB C 22 40.250 40.747 -0.497 1
2 308 . 1 1 1 A 27 27 ASP C C 22 180.796 178.819 1.977 1
2 309 . 1 1 1 A 28 28 ILE N N 23 119.318 120.197 -0.879 1
2 310 . 1 1 1 A 28 28 ILE H H 23 8.039 7.783 0.256 1
2 311 . 1 1 1 A 28 28 ILE CA C 23 65.365 65.653 -0.288 1
2 312 . 1 1 1 A 28 28 ILE HA H 23 3.587 3.619 -0.032 1
2 313 . 1 1 1 A 28 28 ILE CB C 23 37.408 38.209 -0.801 1
2 326 . 1 1 1 A 28 28 ILE C C 23 177.265 178.296 -1.031 1
2 327 . 1 1 1 A 29 29 LEU N N 24 120.356 121.444 -1.088 1
2 328 . 1 1 1 A 29 29 LEU H H 24 8.220 8.587 -0.367 1
2 329 . 1 1 1 A 29 29 LEU CA C 24 58.562 58.200 0.362 1
2 330 . 1 1 1 A 29 29 LEU HA H 24 3.806 3.996 -0.190 1
2 331 . 1 1 1 A 29 29 LEU CB C 24 39.477 41.408 -1.931 1
2 339 . 1 1 1 A 29 29 LEU C C 24 178.572 178.333 0.239 1
2 340 . 1 1 1 A 30 30 ASN N N 25 117.446 117.463 -0.017 1
2 341 . 1 1 1 A 30 30 ASN H H 25 8.688 8.387 0.301 1
2 342 . 1 1 1 A 30 30 ASN CA C 25 56.092 56.970 -0.878 1
2 343 . 1 1 1 A 30 30 ASN HA H 25 4.493 4.337 0.156 1
2 344 . 1 1 1 A 30 30 ASN CB C 25 38.809 38.905 -0.096 1
2 351 . 1 1 1 A 30 30 ASN C C 25 178.884 177.873 1.011 1
2 352 . 1 1 1 A 31 31 GLN N N 26 119.946 118.006 1.940 1
2 353 . 1 1 1 A 31 31 GLN H H 26 8.184 7.763 0.421 1
2 354 . 1 1 1 A 31 31 GLN CA C 26 58.786 58.853 -0.067 1
2 355 . 1 1 1 A 31 31 GLN HA H 26 4.041 4.032 0.009 1
2 356 . 1 1 1 A 31 31 GLN CB C 26 29.089 28.172 0.917 1
2 366 . 1 1 1 A 31 31 GLN C C 26 177.656 179.408 -1.752 1
2 367 . 1 1 1 A 32 32 LEU N N 27 116.979 117.840 -0.861 1
2 368 . 1 1 1 A 32 32 LEU H H 27 7.893 7.531 0.362 1
2 369 . 1 1 1 A 32 32 LEU CA C 27 54.545 55.975 -1.430 1
2 370 . 1 1 1 A 32 32 LEU HA H 27 4.227 4.088 0.139 1
2 371 . 1 1 1 A 32 32 LEU CB C 27 42.063 42.759 -0.696 1
2 382 . 1 1 1 A 32 32 LEU C C 27 175.733 177.526 -1.793 1
2 383 . 1 1 1 A 33 33 GLY N N 28 108.299 106.051 2.248 1
2 384 . 1 1 1 A 33 33 GLY H H 28 7.834 7.701 0.133 1
2 385 . 1 1 1 A 33 33 GLY CA C 28 45.707 45.185 0.522 1
2 386 . 1 1 1 A 33 33 GLY HA2 H 28 3.952 4.004 -0.052 1
2 387 . 1 1 1 A 33 33 GLY HA3 H 28 3.952 4.008 -0.056 1
2 388 . 1 1 1 A 33 33 GLY C C 28 174.317 174.672 -0.355 1
2 389 . 1 1 1 A 34 34 LEU N N 29 120.833 121.726 -0.893 1
2 390 . 1 1 1 A 34 34 LEU H H 29 7.986 8.099 -0.113 1
2 391 . 1 1 1 A 34 34 LEU CA C 29 51.558 52.764 -1.206 1
2 392 . 1 1 1 A 34 34 LEU HA H 29 4.744 4.585 0.159 1
2 393 . 1 1 1 A 34 34 LEU CB C 29 43.525 40.934 2.591 1
2 405 . 1 1 1 A 35 35 PRO CA C 30 62.707 62.283 0.424 1
2 406 . 1 1 1 A 35 35 PRO HA H 30 4.351 4.517 -0.166 1
2 407 . 1 1 1 A 35 35 PRO CB C 30 31.919 32.802 -0.883 1
2 415 . 1 1 1 A 35 35 PRO C C 30 177.488 177.058 0.430 1
2 416 . 1 1 1 A 36 36 LYS N N 31 117.590 120.717 -3.127 1
2 417 . 1 1 1 A 36 36 LYS H H 31 8.380 8.813 -0.433 1
2 418 . 1 1 1 A 36 36 LYS CA C 31 55.660 59.362 -3.702 1
2 419 . 1 1 1 A 36 36 LYS HA H 31 4.286 4.124 0.162 1
2 420 . 1 1 1 A 36 36 LYS CB C 31 33.239 32.486 0.753 1
2 430 . 1 1 1 A 36 36 LYS C C 31 174.384 176.259 -1.875 1
2 431 . 1 1 1 A 37 37 GLN N N 32 118.260 115.619 2.641 1
2 432 . 1 1 1 A 37 37 GLN H H 32 7.698 7.680 0.018 1
2 433 . 1 1 1 A 37 37 GLN CA C 32 55.550 54.955 0.595 1
2 434 . 1 1 1 A 37 37 GLN HA H 32 4.376 4.351 0.025 1
2 435 . 1 1 1 A 37 37 GLN CB C 32 28.221 30.227 -2.006 1
2 445 . 1 1 1 A 37 37 GLN C C 32 175.222 175.915 -0.693 1
2 446 . 1 1 1 A 38 38 GLY N N 33 109.855 108.393 1.462 1
2 447 . 1 1 1 A 38 38 GLY H H 33 8.449 8.659 -0.210 1
2 448 . 1 1 1 A 38 38 GLY CA C 33 43.235 45.434 -2.199 1
2 449 . 1 1 1 A 38 38 GLY HA2 H 33 4.566 4.114 0.452 1
2 450 . 1 1 1 A 38 38 GLY HA3 H 33 3.789 4.114 -0.325 1
2 451 . 1 1 1 A 38 38 GLY C C 33 173.603 174.270 -0.667 1
2 452 . 1 1 1 A 39 39 LYS N N 34 117.627 120.657 -3.030 1
2 453 . 1 1 1 A 39 39 LYS H H 34 8.649 8.193 0.456 1
2 454 . 1 1 1 A 39 39 LYS CA C 34 54.563 56.041 -1.478 1
2 455 . 1 1 1 A 39 39 LYS HA H 34 4.394 4.392 0.002 1
2 456 . 1 1 1 A 39 39 LYS CB C 34 32.892 33.253 -0.361 1
2 468 . 1 1 1 A 39 39 LYS C C 34 176.803 177.367 -0.564 1
2 469 . 1 1 1 A 40 40 LYS N N 35 121.705 119.353 2.352 1
2 470 . 1 1 1 A 40 40 LYS H H 35 8.920 8.861 0.059 1
2 471 . 1 1 1 A 40 40 LYS CA C 35 61.559 59.934 1.625 1
2 472 . 1 1 1 A 40 40 LYS HA H 35 3.597 3.919 -0.322 1
2 473 . 1 1 1 A 40 40 LYS CB C 35 31.953 32.121 -0.168 1
2 485 . 1 1 1 A 40 40 LYS C C 35 177.362 178.815 -1.453 1
2 486 . 1 1 1 A 41 41 GLN N N 36 114.637 119.704 -5.067 1
2 487 . 1 1 1 A 41 41 GLN H H 36 9.017 7.944 1.073 1
2 488 . 1 1 1 A 41 41 GLN CA C 36 57.638 59.103 -1.465 1
2 489 . 1 1 1 A 41 41 GLN HA H 36 3.719 3.986 -0.267 1
2 490 . 1 1 1 A 41 41 GLN CB C 36 27.865 28.423 -0.558 1
2 500 . 1 1 1 A 41 41 GLN C C 36 176.975 177.988 -1.013 1
2 501 . 1 1 1 A 42 42 ASP N N 37 115.984 120.120 -4.136 1
2 502 . 1 1 1 A 42 42 ASP H H 37 7.049 8.210 -1.161 1
2 503 . 1 1 1 A 42 42 ASP CA C 37 56.424 57.509 -1.085 1
2 504 . 1 1 1 A 42 42 ASP HA H 37 4.303 4.309 -0.006 1
2 505 . 1 1 1 A 42 42 ASP CB C 37 39.955 40.537 -0.582 1
2 508 . 1 1 1 A 42 42 ASP C C 37 178.454 179.004 -0.550 1
2 509 . 1 1 1 A 43 43 LEU N N 38 119.074 120.379 -1.305 1
2 510 . 1 1 1 A 43 43 LEU H H 38 7.725 8.241 -0.516 1
2 511 . 1 1 1 A 43 43 LEU CA C 38 57.716 58.001 -0.285 1
2 512 . 1 1 1 A 43 43 LEU HA H 38 3.794 3.998 -0.204 1
2 513 . 1 1 1 A 43 43 LEU CB C 38 40.211 42.312 -2.101 1
2 526 . 1 1 1 A 43 43 LEU C C 38 177.872 178.998 -1.126 1
2 527 . 1 1 1 A 44 44 ILE N N 39 118.343 118.850 -0.507 1
2 528 . 1 1 1 A 44 44 ILE H H 39 7.867 8.131 -0.264 1
2 529 . 1 1 1 A 44 44 ILE CA C 39 66.211 65.538 0.673 1
2 530 . 1 1 1 A 44 44 ILE HA H 39 3.319 3.531 -0.212 1
2 531 . 1 1 1 A 44 44 ILE CB C 39 37.985 37.754 0.231 1
2 541 . 1 1 1 A 44 44 ILE C C 39 177.711 177.815 -0.104 1
2 542 . 1 1 1 A 45 45 ASP N N 40 118.535 119.428 -0.893 1
2 543 . 1 1 1 A 45 45 ASP H H 40 8.503 8.587 -0.084 1
2 544 . 1 1 1 A 45 45 ASP CA C 40 56.817 57.285 -0.468 1
2 545 . 1 1 1 A 45 45 ASP HA H 40 4.256 4.458 -0.202 1
2 546 . 1 1 1 A 45 45 ASP CB C 40 39.815 40.209 -0.394 1
2 549 . 1 1 1 A 45 45 ASP C C 40 178.464 179.215 -0.751 1
2 550 . 1 1 1 A 46 46 ARG N N 41 120.910 120.913 -0.003 1
2 551 . 1 1 1 A 46 46 ARG H H 41 7.717 7.808 -0.091 1
2 552 . 1 1 1 A 46 46 ARG CA C 41 59.054 59.702 -0.648 1
2 553 . 1 1 1 A 46 46 ARG HA H 41 3.993 4.045 -0.052 1
2 554 . 1 1 1 A 46 46 ARG CB C 41 29.778 30.735 -0.957 1
2 563 . 1 1 1 A 46 46 ARG C C 41 177.565 178.440 -0.875 1
2 564 . 1 1 1 A 47 47 VAL N N 42 117.438 119.383 -1.945 1
2 565 . 1 1 1 A 47 47 VAL H H 42 7.445 8.077 -0.632 1
2 566 . 1 1 1 A 47 47 VAL CA C 42 66.095 66.422 -0.327 1
2 567 . 1 1 1 A 47 47 VAL HA H 42 3.446 3.651 -0.205 1
2 568 . 1 1 1 A 47 47 VAL CB C 42 31.113 31.663 -0.550 1
2 578 . 1 1 1 A 47 47 VAL C C 42 177.710 178.000 -0.290 1
2 579 . 1 1 1 A 48 48 LEU N N 43 117.085 117.751 -0.666 1
2 580 . 1 1 1 A 48 48 LEU H H 43 8.466 8.097 0.369 1
2 581 . 1 1 1 A 48 48 LEU CA C 43 57.406 57.892 -0.486 1
2 582 . 1 1 1 A 48 48 LEU HA H 43 3.851 3.916 -0.065 1
2 583 . 1 1 1 A 48 48 LEU CB C 43 40.779 41.264 -0.485 1
2 596 . 1 1 1 A 48 48 LEU C C 43 179.581 179.373 0.208 1
2 597 . 1 1 1 A 49 49 ALA N N 44 120.480 121.824 -1.344 1
2 598 . 1 1 1 A 49 49 ALA H H 44 7.952 8.140 -0.188 1
2 599 . 1 1 1 A 49 49 ALA CA C 44 53.998 54.378 -0.380 1
2 600 . 1 1 1 A 49 49 ALA HA H 44 4.104 4.126 -0.022 1
2 604 . 1 1 1 A 49 49 ALA CB C 44 17.685 18.409 -0.724 1
2 605 . 1 1 1 A 49 49 ALA C C 44 178.926 179.662 -0.736 1
2 606 . 1 1 1 A 50 50 LEU N N 45 115.306 120.601 -5.295 1
2 607 . 1 1 1 A 50 50 LEU H H 45 7.428 7.845 -0.417 1
2 608 . 1 1 1 A 50 50 LEU CA C 45 55.650 57.652 -2.002 1
2 609 . 1 1 1 A 50 50 LEU HA H 45 4.206 4.082 0.124 1
2 610 . 1 1 1 A 50 50 LEU CB C 45 41.937 41.931 0.006 1
2 623 . 1 1 1 A 50 50 LEU C C 45 177.840 178.625 -0.785 1
2 624 . 1 1 1 A 51 51 LEU N N 46 115.880 118.895 -3.015 1
2 625 . 1 1 1 A 51 51 LEU H H 46 7.642 7.863 -0.221 1
2 626 . 1 1 1 A 51 51 LEU CA C 46 54.861 55.739 -0.878 1
2 627 . 1 1 1 A 51 51 LEU HA H 46 4.260 4.226 0.034 1
2 628 . 1 1 1 A 51 51 LEU CB C 46 42.228 42.051 0.177 1
2 638 . 1 1 1 A 51 51 LEU C C 46 176.015 177.321 -1.306 1
2 639 . 1 1 1 A 52 52 THR N N 47 109.201 112.565 -3.364 1
2 640 . 1 1 1 A 52 52 THR H H 47 7.515 7.450 0.065 1
2 641 . 1 1 1 A 52 52 THR CA C 47 60.972 64.466 -3.494 1
2 642 . 1 1 1 A 52 52 THR HA H 47 4.345 4.252 0.093 1
2 643 . 1 1 1 A 52 52 THR CB C 47 69.620 69.906 -0.286 1
2 649 . 1 1 1 A 52 52 THR C C 47 173.733 175.246 -1.513 1
2 650 . 1 1 1 A 53 53 ASP N N 48 122.188 118.128 4.060 1
2 651 . 1 1 1 A 53 53 ASP H H 48 8.280 8.100 0.180 1
2 652 . 1 1 1 A 53 53 ASP CA C 48 54.205 55.306 -1.101 1
2 653 . 1 1 1 A 53 53 ASP HA H 48 4.686 4.503 0.183 1
2 654 . 1 1 1 A 53 53 ASP CB C 48 40.766 41.187 -0.421 1
2 658 . 1 1 1 A 53 53 ASP C C 48 176.000 176.647 -0.647 1
2 659 . 1 1 1 A 54 54 GLU N N 49 121.966 118.963 3.003 1
2 660 . 1 1 1 A 54 54 GLU H H 49 8.589 7.800 0.789 1
2 661 . 1 1 1 A 54 54 GLU CA C 49 56.448 55.564 0.884 1
2 662 . 1 1 1 A 54 54 GLU HA H 49 4.234 4.634 -0.400 1
2 663 . 1 1 1 A 54 54 GLU CB C 49 29.642 30.865 -1.223 1
2 669 . 1 1 1 A 54 54 GLU C C 49 176.522 176.719 -0.197 1
2 670 . 1 1 1 A 55 55 GLN N N 50 120.727 119.673 1.054 1
2 671 . 1 1 1 A 55 55 GLN H H 50 8.642 7.974 0.668 1
2 672 . 1 1 1 A 55 55 GLN CA C 50 56.251 56.903 -0.652 1
2 673 . 1 1 1 A 55 55 GLN HA H 50 4.217 4.176 0.041 1
2 674 . 1 1 1 A 55 55 GLN CB C 50 28.555 28.268 0.287 1
2 684 . 1 1 1 A 55 55 GLN C C 50 176.519 177.027 -0.508 1
2 685 . 1 1 1 A 56 56 GLY N N 51 109.357 109.472 -0.115 1
2 686 . 1 1 1 A 56 56 GLY H H 51 8.519 8.050 0.469 1
2 687 . 1 1 1 A 56 56 GLY CA C 51 45.276 47.053 -1.777 1
2 688 . 1 1 1 A 56 56 GLY HA2 H 51 3.950 4.039 -0.089 1
2 689 . 1 1 1 A 56 56 GLY HA3 H 51 3.809 4.084 -0.275 1
2 690 . 1 1 1 A 56 56 GLY C C 51 174.146 175.206 -1.060 1
2 691 . 1 1 1 A 57 57 GLN N N 52 119.207 119.436 -0.229 1
2 692 . 1 1 1 A 57 57 GLN H H 52 8.263 8.529 -0.266 1
2 693 . 1 1 1 A 57 57 GLN CA C 52 55.572 58.399 -2.827 1
2 694 . 1 1 1 A 57 57 GLN HA H 52 4.203 4.197 0.006 1
2 695 . 1 1 1 A 57 57 GLN CB C 52 28.656 28.662 -0.006 1
2 705 . 1 1 1 A 57 57 GLN C C 52 175.872 176.885 -1.013 1
2 706 . 1 1 1 A 58 58 ARG N N 53 120.525 116.901 3.624 1
2 707 . 1 1 1 A 58 58 ARG H H 53 8.279 8.020 0.259 1
2 708 . 1 1 1 A 58 58 ARG CA C 53 55.883 55.428 0.455 1
2 709 . 1 1 1 A 58 58 ARG HA H 53 4.176 4.662 -0.486 1
2 710 . 1 1 1 A 58 58 ARG CB C 53 30.031 30.765 -0.734 1
2 721 . 1 1 1 A 58 58 ARG C C 53 175.820 175.679 0.141 1
2 722 . 1 1 1 A 59 59 HIS N N 54 118.905 120.073 -1.168 1
2 723 . 1 1 1 A 59 59 HIS H H 54 8.398 7.765 0.633 1
2 724 . 1 1 1 A 59 59 HIS CA C 54 54.908 54.964 -0.056 1
2 725 . 1 1 1 A 59 59 HIS HA H 54 4.548 4.780 -0.232 1
2 726 . 1 1 1 A 59 59 HIS CB C 54 28.953 30.444 -1.491 1
2 729 . 1 1 1 A 59 59 HIS C C 54 174.136 173.275 0.861 1
2 730 . 1 1 1 A 60 60 HIS N N 55 119.527 116.944 2.583 1
2 731 . 1 1 1 A 60 60 HIS H H 55 8.493 7.985 0.508 1
2 732 . 1 1 1 A 60 60 HIS CA C 55 55.274 53.320 1.954 1
2 733 . 1 1 1 A 60 60 HIS HA H 55 4.552 4.450 0.102 1
2 734 . 1 1 1 A 60 60 HIS CB C 55 28.913 31.893 -2.980 1
2 737 . 1 1 1 A 60 60 HIS C C 55 174.595 174.449 0.146 1
2 738 . 1 1 1 A 61 61 GLY N N 56 110.215 107.347 2.868 1
2 739 . 1 1 1 A 61 61 GLY H H 56 8.604 7.136 1.468 1
2 740 . 1 1 1 A 61 61 GLY CA C 56 44.977 45.068 -0.091 1
2 741 . 1 1 1 A 61 61 GLY HA2 H 56 3.956 3.646 0.310 1
2 742 . 1 1 1 A 61 61 GLY HA3 H 56 3.831 3.724 0.107 1
2 743 . 1 1 1 A 61 61 GLY C C 56 173.752 174.353 -0.601 1
2 744 . 1 1 1 A 62 62 TRP N N 57 120.700 118.290 2.410 1
2 745 . 1 1 1 A 62 62 TRP H H 57 8.175 7.088 1.087 1
2 746 . 1 1 1 A 62 62 TRP CA C 57 56.929 58.148 -1.219 1
2 747 . 1 1 1 A 62 62 TRP HA H 57 4.663 4.718 -0.055 1
2 748 . 1 1 1 A 62 62 TRP CB C 57 29.142 30.797 -1.655 1
2 763 . 1 1 1 A 62 62 TRP C C 57 176.442 177.497 -1.055 1
2 764 . 1 1 1 A 63 63 GLY N N 58 110.195 108.411 1.784 1
2 765 . 1 1 1 A 63 63 GLY H H 58 8.452 8.516 -0.064 1
2 766 . 1 1 1 A 63 63 GLY CA C 58 45.052 45.839 -0.787 1
2 767 . 1 1 1 A 63 63 GLY HA2 H 58 3.925 4.108 -0.183 1
2 768 . 1 1 1 A 63 63 GLY HA3 H 58 3.833 4.211 -0.378 1
2 769 . 1 1 1 A 63 63 GLY C C 58 173.738 175.296 -1.558 1
2 770 . 1 1 1 A 64 64 ARG N N 59 120.374 120.384 -0.010 1
2 771 . 1 1 1 A 64 64 ARG H H 59 8.136 8.202 -0.066 1
2 772 . 1 1 1 A 64 64 ARG CA C 59 55.799 56.267 -0.468 1
2 773 . 1 1 1 A 64 64 ARG HA H 59 4.287 4.449 -0.162 1
2 774 . 1 1 1 A 64 64 ARG CB C 59 30.371 31.184 -0.813 1
2 785 . 1 1 1 A 64 64 ARG C C 59 176.287 175.869 0.418 1
2 786 . 1 1 1 A 65 65 LYS N N 60 121.593 120.879 0.714 1
2 787 . 1 1 1 A 65 65 LYS H H 60 8.483 7.905 0.578 1
2 788 . 1 1 1 A 65 65 LYS CA C 60 56.353 55.762 0.591 1
2 789 . 1 1 1 A 65 65 LYS HA H 60 4.218 4.488 -0.270 1
2 790 . 1 1 1 A 65 65 LYS CB C 60 32.260 33.780 -1.520 1
2 796 . 1 1 1 A 65 65 LYS C C 60 176.102 176.551 -0.449 1
2 797 . 1 1 1 A 66 66 ASN N N 61 118.654 118.547 0.107 1
2 798 . 1 1 1 A 66 66 ASN H H 61 8.413 8.348 0.065 1
2 799 . 1 1 1 A 66 66 ASN CA C 61 53.055 53.426 -0.371 1
2 800 . 1 1 1 A 66 66 ASN HA H 61 4.639 4.478 0.161 1
2 801 . 1 1 1 A 66 66 ASN CB C 61 38.385 37.445 0.940 1
2 808 . 1 1 1 A 66 66 ASN C C 61 174.531 175.714 -1.183 1
2 809 . 1 1 1 A 67 67 SER N N 62 115.491 116.198 -0.707 1
2 810 . 1 1 1 A 67 67 SER H H 62 8.288 8.036 0.252 1
2 811 . 1 1 1 A 67 67 SER CA C 62 57.980 60.781 -2.801 1
2 812 . 1 1 1 A 67 67 SER HA H 62 4.283 4.236 0.047 1
2 813 . 1 1 1 A 67 67 SER CB C 62 63.205 62.829 0.376 1
2 816 . 1 1 1 A 67 67 SER C C 62 173.864 174.917 -1.053 1
2 817 . 1 1 1 A 68 68 LEU N N 63 123.549 114.072 9.477 1
2 818 . 1 1 1 A 68 68 LEU H H 63 8.063 7.401 0.662 1
2 819 . 1 1 1 A 68 68 LEU CA C 63 54.098 53.656 0.442 1
2 820 . 1 1 1 A 68 68 LEU HA H 63 4.481 4.627 -0.146 1
2 821 . 1 1 1 A 68 68 LEU CB C 63 42.494 41.713 0.781 1
2 834 . 1 1 1 A 68 68 LEU C C 63 176.532 175.312 1.220 1
2 835 . 1 1 1 A 69 69 THR N N 64 112.637 113.679 -1.042 1
2 836 . 1 1 1 A 69 69 THR H H 64 7.797 7.151 0.646 1
2 837 . 1 1 1 A 69 69 THR CA C 64 59.915 60.310 -0.395 1
2 838 . 1 1 1 A 69 69 THR HA H 64 4.490 4.594 -0.104 1
2 839 . 1 1 1 A 69 69 THR CB C 64 70.852 70.785 0.067 1
2 845 . 1 1 1 A 69 69 THR C C 64 174.998 174.899 0.099 1
2 846 . 1 1 1 A 70 70 LYS N N 65 120.128 123.790 -3.662 1
2 847 . 1 1 1 A 70 70 LYS H H 65 9.059 9.102 -0.043 1
2 848 . 1 1 1 A 70 70 LYS CA C 65 59.535 60.248 -0.713 1
2 849 . 1 1 1 A 70 70 LYS HA H 65 3.909 3.918 -0.009 1
2 850 . 1 1 1 A 70 70 LYS CB C 65 31.890 31.970 -0.080 1
2 858 . 1 1 1 A 70 70 LYS C C 65 177.536 178.588 -1.052 1
2 859 . 1 1 1 A 71 71 GLU N N 66 117.667 120.129 -2.462 1
2 860 . 1 1 1 A 71 71 GLU H H 66 8.699 8.546 0.153 1
2 861 . 1 1 1 A 71 71 GLU CA C 66 60.199 59.287 0.912 1
2 862 . 1 1 1 A 71 71 GLU HA H 66 3.806 4.060 -0.254 1
2 863 . 1 1 1 A 71 71 GLU CB C 66 27.986 29.435 -1.449 1
2 870 . 1 1 1 A 71 71 GLU C C 66 178.416 179.062 -0.646 1
2 871 . 1 1 1 A 72 72 ALA N N 67 123.924 122.456 1.468 1
2 872 . 1 1 1 A 72 72 ALA H H 67 7.992 7.268 0.724 1
2 873 . 1 1 1 A 72 72 ALA CA C 67 54.477 54.986 -0.509 1
2 874 . 1 1 1 A 72 72 ALA HA H 67 4.110 4.065 0.045 1
2 878 . 1 1 1 A 72 72 ALA CB C 67 18.301 18.502 -0.201 1
2 879 . 1 1 1 A 72 72 ALA C C 67 178.721 179.572 -0.851 1
2 880 . 1 1 1 A 73 73 VAL N N 68 119.434 117.840 1.594 1
2 881 . 1 1 1 A 73 73 VAL H H 68 8.044 7.987 0.057 1
2 882 . 1 1 1 A 73 73 VAL CA C 68 66.089 66.644 -0.555 1
2 883 . 1 1 1 A 73 73 VAL HA H 68 3.473 3.544 -0.071 1
2 884 . 1 1 1 A 73 73 VAL CB C 68 31.150 31.585 -0.435 1
2 894 . 1 1 1 A 73 73 VAL C C 68 177.001 178.461 -1.460 1
2 895 . 1 1 1 A 74 74 ALA N N 69 120.671 121.763 -1.092 1
2 896 . 1 1 1 A 74 74 ALA H H 69 8.407 8.422 -0.015 1
2 897 . 1 1 1 A 74 74 ALA CA C 69 54.727 55.236 -0.509 1
2 898 . 1 1 1 A 74 74 ALA HA H 69 3.968 3.997 -0.029 1
2 902 . 1 1 1 A 74 74 ALA CB C 69 18.066 18.138 -0.072 1
2 903 . 1 1 1 A 74 74 ALA C C 69 178.820 179.433 -0.613 1
2 904 . 1 1 1 A 75 75 LYS N N 70 118.624 118.054 0.570 1
2 905 . 1 1 1 A 75 75 LYS H H 70 7.930 7.885 0.045 1
2 906 . 1 1 1 A 75 75 LYS CA C 70 58.807 60.182 -1.375 1
2 907 . 1 1 1 A 75 75 LYS HA H 70 4.086 3.902 0.184 1
2 908 . 1 1 1 A 75 75 LYS CB C 70 31.776 32.258 -0.482 1
2 918 . 1 1 1 A 75 75 LYS C C 70 177.424 178.667 -1.243 1
2 919 . 1 1 1 A 76 76 ILE N N 71 120.234 119.442 0.792 1
2 920 . 1 1 1 A 76 76 ILE H H 71 7.478 7.854 -0.376 1
2 921 . 1 1 1 A 76 76 ILE CA C 71 64.885 64.992 -0.107 1
2 922 . 1 1 1 A 76 76 ILE HA H 71 3.960 3.621 0.339 1
2 923 . 1 1 1 A 76 76 ILE CB C 71 37.810 37.778 0.032 1
2 936 . 1 1 1 A 76 76 ILE C C 71 179.734 177.647 2.087 1
2 937 . 1 1 1 A 77 77 VAL N N 72 122.502 119.631 2.871 1
2 938 . 1 1 1 A 77 77 VAL H H 72 8.325 7.873 0.452 1
2 939 . 1 1 1 A 77 77 VAL CA C 72 67.450 66.602 0.848 1
2 940 . 1 1 1 A 77 77 VAL HA H 72 3.576 3.448 0.128 1
2 941 . 1 1 1 A 77 77 VAL CB C 72 30.928 31.491 -0.563 1
2 951 . 1 1 1 A 77 77 VAL C C 72 176.906 177.932 -1.026 1
2 952 . 1 1 1 A 78 78 ASP N N 73 120.524 120.439 0.085 1
2 953 . 1 1 1 A 78 78 ASP H H 73 8.798 8.248 0.550 1
2 954 . 1 1 1 A 78 78 ASP CA C 73 58.206 57.729 0.477 1
2 955 . 1 1 1 A 78 78 ASP HA H 73 4.379 4.348 0.031 1
2 956 . 1 1 1 A 78 78 ASP CB C 73 41.420 41.208 0.212 1
2 960 . 1 1 1 A 78 78 ASP C C 73 178.068 178.078 -0.010 1
2 961 . 1 1 1 A 79 79 ASP N N 74 119.761 119.117 0.644 1
2 962 . 1 1 1 A 79 79 ASP H H 74 9.318 8.035 1.283 1
2 963 . 1 1 1 A 79 79 ASP CA C 74 57.025 57.158 -0.133 1
2 964 . 1 1 1 A 79 79 ASP HA H 74 4.404 4.328 0.076 1
2 965 . 1 1 1 A 79 79 ASP CB C 74 40.007 40.407 -0.400 1
2 969 . 1 1 1 A 79 79 ASP C C 74 178.813 178.993 -0.180 1
2 970 . 1 1 1 A 80 80 THR N N 75 117.342 116.947 0.395 1
2 971 . 1 1 1 A 80 80 THR H H 75 8.084 7.794 0.290 1
2 972 . 1 1 1 A 80 80 THR CA C 75 66.977 66.349 0.628 1
2 973 . 1 1 1 A 80 80 THR HA H 75 3.826 3.679 0.147 1
2 974 . 1 1 1 A 80 80 THR CB C 75 67.725 67.845 -0.120 1
2 980 . 1 1 1 A 80 80 THR C C 75 175.367 175.855 -0.488 1
2 981 . 1 1 1 A 81 81 TYR N N 76 123.732 122.460 1.272 1
2 982 . 1 1 1 A 81 81 TYR H H 76 8.830 8.063 0.767 1
2 983 . 1 1 1 A 81 81 TYR CA C 76 61.713 61.916 -0.203 1
2 984 . 1 1 1 A 81 81 TYR HA H 76 4.265 4.451 -0.186 1
2 985 . 1 1 1 A 81 81 TYR CB C 76 38.849 38.935 -0.086 1
2 994 . 1 1 1 A 81 81 TYR C C 76 176.700 177.623 -0.923 1
2 995 . 1 1 1 A 82 82 ARG N N 77 118.508 120.910 -2.402 1
2 996 . 1 1 1 A 82 82 ARG H H 77 8.754 8.832 -0.078 1
2 997 . 1 1 1 A 82 82 ARG CA C 77 58.792 59.011 -0.219 1
2 998 . 1 1 1 A 82 82 ARG HA H 77 3.890 4.156 -0.266 1
2 999 . 1 1 1 A 82 82 ARG CB C 77 29.498 30.404 -0.906 1
2 1015 . 1 1 1 A 82 82 ARG C C 77 178.748 178.513 0.235 1
2 1016 . 1 1 1 A 83 83 LYS N N 78 118.079 119.768 -1.689 1
2 1017 . 1 1 1 A 83 83 LYS H H 78 7.696 7.840 -0.144 1
2 1018 . 1 1 1 A 83 83 LYS CA C 78 58.671 59.101 -0.430 1
2 1019 . 1 1 1 A 83 83 LYS HA H 78 4.024 4.140 -0.116 1
2 1020 . 1 1 1 A 83 83 LYS CB C 78 32.057 31.644 0.413 1
2 1026 . 1 1 1 A 83 83 LYS C C 78 177.743 178.799 -1.056 1
2 1027 . 1 1 1 A 84 84 MET N N 79 118.241 119.615 -1.374 1
2 1028 . 1 1 1 A 84 84 MET H H 79 7.748 7.952 -0.204 1
2 1029 . 1 1 1 A 84 84 MET CA C 79 57.209 58.263 -1.054 1
2 1030 . 1 1 1 A 84 84 MET HA H 79 4.170 4.174 -0.004 1
2 1031 . 1 1 1 A 84 84 MET CB C 79 32.320 32.687 -0.367 1
2 1041 . 1 1 1 A 84 84 MET C C 79 177.036 176.969 0.067 1
2 1042 . 1 1 1 A 85 85 GLN N N 80 117.242 115.500 1.742 1
2 1043 . 1 1 1 A 85 85 GLN H H 80 7.843 7.465 0.378 1
2 1044 . 1 1 1 A 85 85 GLN CA C 80 56.523 54.674 1.849 1
2 1045 . 1 1 1 A 85 85 GLN HA H 80 3.993 4.543 -0.550 1
2 1046 . 1 1 1 A 85 85 GLN CB C 80 28.240 30.199 -1.959 1
2 1056 . 1 1 1 A 85 85 GLN C C 80 176.690 175.675 1.015 1
2 1057 . 1 1 1 A 86 86 ILE N N 81 119.178 116.950 2.228 1
2 1058 . 1 1 1 A 86 86 ILE H H 81 7.715 7.906 -0.191 1
2 1059 . 1 1 1 A 86 86 ILE CA C 81 62.073 64.044 -1.971 1
2 1060 . 1 1 1 A 86 86 ILE HA H 81 3.934 4.173 -0.239 1
2 1061 . 1 1 1 A 86 86 ILE CB C 81 37.966 36.362 1.604 1
2 1074 . 1 1 1 A 86 86 ILE C C 81 176.673 175.440 1.233 1
2 1075 . 1 1 1 A 87 87 GLN N N 82 121.386 120.194 1.192 1
2 1076 . 1 1 1 A 87 87 GLN H H 82 8.164 8.713 -0.549 1
2 1077 . 1 1 1 A 87 87 GLN CA C 82 55.968 57.745 -1.777 1
2 1078 . 1 1 1 A 87 87 GLN HA H 82 4.214 4.379 -0.165 1
2 1079 . 1 1 1 A 87 87 GLN CB C 82 28.735 28.323 0.412 1
2 1088 . 1 1 1 A 87 87 GLN C C 82 175.836 174.842 0.994 1
2 1089 . 1 1 1 A 88 88 CYS N N 83 118.663 121.656 -2.993 1
2 1090 . 1 1 1 A 88 88 CYS H H 83 8.238 8.600 -0.362 1
2 1091 . 1 1 1 A 88 88 CYS CA C 83 57.997 58.102 -0.105 1
2 1092 . 1 1 1 A 88 88 CYS HA H 83 4.467 4.662 -0.195 1
2 1093 . 1 1 1 A 88 88 CYS CB C 83 27.582 27.622 -0.040 1
2 1096 . 1 1 1 A 88 88 CYS C C 83 173.432 174.175 -0.743 1
2 1097 . 1 1 1 A 89 89 ALA N N 84 127.014 122.231 4.783 1
2 1098 . 1 1 1 A 89 89 ALA H H 84 8.249 8.037 0.212 1
2 1099 . 1 1 1 A 89 89 ALA CA C 84 50.607 53.383 -2.776 1
2 1100 . 1 1 1 A 89 89 ALA HA H 84 4.544 4.197 0.347 1
2 1104 . 1 1 1 A 89 89 ALA CB C 84 17.658 18.247 -0.589 1
2 1105 . 1 1 1 A 89 89 ALA C C 84 175.125 177.442 -2.317 1
2 1107 . 1 1 1 A 90 90 PRO CA C 85 62.995 63.293 -0.298 1
2 1108 . 1 1 1 A 90 90 PRO HA H 85 4.373 4.072 0.301 1
2 1109 . 1 1 1 A 90 90 PRO CB C 85 31.692 31.636 0.056 1
2 1117 . 1 1 1 A 90 90 PRO C C 85 176.407 177.179 -0.772 1
2 1118 . 1 1 1 A 91 91 ASP N N 86 119.209 118.933 0.276 1
2 1119 . 1 1 1 A 91 91 ASP H H 86 8.429 8.032 0.397 1
2 1120 . 1 1 1 A 91 91 ASP CA C 86 53.752 55.299 -1.547 1
2 1121 . 1 1 1 A 91 91 ASP HA H 86 4.394 4.298 0.096 1
2 1122 . 1 1 1 A 91 91 ASP CB C 86 40.319 40.213 0.106 1
2 1125 . 1 1 1 A 91 91 ASP C C 86 176.101 176.470 -0.369 1
2 1126 . 1 1 1 A 92 92 LEU N N 87 122.571 120.982 1.589 1
2 1127 . 1 1 1 A 92 92 LEU H H 87 8.208 7.806 0.402 1
2 1128 . 1 1 1 A 92 92 LEU CA C 87 55.286 57.873 -2.587 1
2 1129 . 1 1 1 A 92 92 LEU HA H 87 4.204 3.945 0.259 1
2 1130 . 1 1 1 A 92 92 LEU CB C 87 41.786 42.114 -0.328 1
2 1143 . 1 1 1 A 92 92 LEU C C 87 177.406 177.352 0.054 1
2 1144 . 1 1 1 A 93 93 ALA N N 88 123.131 118.376 4.755 1
2 1145 . 1 1 1 A 93 93 ALA H H 88 8.305 7.504 0.801 1
2 1146 . 1 1 1 A 93 93 ALA CA C 88 52.876 52.811 0.065 1
2 1147 . 1 1 1 A 93 93 ALA HA H 88 4.263 4.428 -0.165 1
2 1151 . 1 1 1 A 93 93 ALA CB C 88 18.672 21.245 -2.573 1
2 1152 . 1 1 1 A 93 93 ALA C C 88 178.033 177.834 0.199 1
2 1153 . 1 1 1 A 94 94 THR N N 89 112.097 109.076 3.021 1
2 1154 . 1 1 1 A 94 94 THR H H 89 7.994 8.256 -0.262 1
2 1155 . 1 1 1 A 94 94 THR CA C 89 61.640 63.044 -1.404 1
2 1156 . 1 1 1 A 94 94 THR HA H 89 4.251 3.957 0.294 1
2 1157 . 1 1 1 A 94 94 THR CB C 89 69.063 66.468 2.595 1
2 1163 . 1 1 1 A 94 94 THR C C 89 174.493 173.883 0.610 1
2 1164 . 1 1 1 A 95 95 ARG N N 90 122.704 113.721 8.983 1
2 1165 . 1 1 1 A 95 95 ARG H H 90 8.211 8.445 -0.234 1
2 1166 . 1 1 1 A 95 95 ARG CA C 90 55.718 57.566 -1.848 1
2 1167 . 1 1 1 A 95 95 ARG HA H 90 4.324 3.902 0.422 1
2 1168 . 1 1 1 A 95 95 ARG CB C 90 30.309 27.272 3.037 1
2 1179 . 1 1 1 A 95 95 ARG C C 90 175.927 175.752 0.175 1
2 1180 . 1 1 1 A 96 96 SER N N 91 116.390 113.503 2.887 1
2 1181 . 1 1 1 A 96 96 SER H H 91 8.365 8.024 0.341 1
2 1182 . 1 1 1 A 96 96 SER CA C 91 57.823 57.324 0.499 1
2 1183 . 1 1 1 A 96 96 SER HA H 91 4.356 4.699 -0.343 1
2 1184 . 1 1 1 A 96 96 SER CB C 91 63.214 61.462 1.752 1
2 1187 . 1 1 1 A 96 96 SER C C 91 174.011 174.432 -0.421 1
2 1188 . 1 1 1 A 97 97 HIS N N 92 120.507 119.021 1.486 1
2 1189 . 1 1 1 A 97 97 HIS H H 92 8.541 8.046 0.495 1
2 1190 . 1 1 1 A 97 97 HIS CA C 92 54.960 56.870 -1.910 1
2 1191 . 1 1 1 A 97 97 HIS HA H 92 4.704 4.744 -0.040 1
2 1192 . 1 1 1 A 97 97 HIS CB C 92 28.518 32.226 -3.708 1
2 1197 . 1 1 1 A 97 97 HIS C C 92 174.186 174.870 -0.684 1
2 1198 . 1 1 1 A 98 98 SER N N 93 116.801 110.333 6.468 1
2 1199 . 1 1 1 A 98 98 SER H H 93 8.455 7.873 0.582 1
2 1200 . 1 1 1 A 98 98 SER CA C 93 57.880 57.975 -0.095 1
2 1201 . 1 1 1 A 98 98 SER HA H 93 4.445 4.670 -0.225 1
2 1202 . 1 1 1 A 98 98 SER CB C 93 63.434 66.409 -2.975 1
2 1205 . 1 1 1 A 98 98 SER C C 93 174.508 173.547 0.961 1
2 1206 . 1 1 1 A 99 99 GLY N N 94 111.114 112.138 -1.024 1
2 1207 . 1 1 1 A 99 99 GLY H H 94 8.597 8.530 0.067 1
2 1208 . 1 1 1 A 99 99 GLY CA C 94 44.888 44.964 -0.076 1
2 1209 . 1 1 1 A 99 99 GLY HA2 H 94 3.998 4.156 -0.158 1
2 1210 . 1 1 1 A 99 99 GLY HA3 H 94 3.998 4.159 -0.161 1
2 1211 . 1 1 1 A 99 99 GLY C C 94 173.856 174.378 -0.522 1
2 1212 . 1 1 1 A 100 100 SER N N 95 115.398 118.439 -3.041 1
2 1213 . 1 1 1 A 100 100 SER H H 95 8.311 8.818 -0.507 1
2 1214 . 1 1 1 A 100 100 SER CA C 95 57.888 57.706 0.182 1
2 1215 . 1 1 1 A 100 100 SER HA H 95 4.408 4.774 -0.366 1
2 1216 . 1 1 1 A 100 100 SER CB C 95 63.328 64.626 -1.298 1
2 1219 . 1 1 1 A 100 100 SER C C 95 173.725 174.240 -0.515 1
2 1220 . 1 1 1 A 101 101 ASP N N 96 121.810 120.268 1.542 1
2 1221 . 1 1 1 A 101 101 ASP H H 96 8.380 7.934 0.446 1
2 1222 . 1 1 1 A 101 101 ASP CA C 96 53.813 54.200 -0.387 1
2 1223 . 1 1 1 A 101 101 ASP HA H 96 4.536 4.852 -0.316 1
2 1224 . 1 1 1 A 101 101 ASP CB C 96 40.438 42.329 -1.891 1
2 1227 . 1 1 1 A 101 101 ASP C C 96 175.524 176.338 -0.814 1
2 1228 . 1 1 1 A 102 102 PHE N N 97 120.706 116.799 3.907 1
2 1229 . 1 1 1 A 102 102 PHE H H 97 8.249 7.957 0.292 1
2 1230 . 1 1 1 A 102 102 PHE CA C 97 57.323 57.173 0.150 1
2 1231 . 1 1 1 A 102 102 PHE HA H 97 4.527 4.669 -0.142 1
2 1232 . 1 1 1 A 102 102 PHE CB C 97 38.989 38.833 0.156 1
2 1238 . 1 1 1 A 102 102 PHE C C 97 175.246 175.057 0.189 1
2 1239 . 1 1 1 A 103 103 SER N N 98 116.992 115.179 1.813 1
2 1240 . 1 1 1 A 103 103 SER H H 98 8.167 7.582 0.585 1
2 1241 . 1 1 1 A 103 103 SER CA C 98 57.883 57.561 0.322 1
2 1242 . 1 1 1 A 103 103 SER HA H 98 4.317 4.587 -0.270 1
2 1243 . 1 1 1 A 103 103 SER CB C 98 63.301 64.108 -0.807 1
2 1246 . 1 1 1 A 103 103 SER C C 98 173.244 174.155 -0.911 1
2 1247 . 1 1 1 A 104 104 PHE N N 99 122.000 117.055 4.945 1
2 1248 . 1 1 1 A 104 104 PHE H H 99 8.170 8.378 -0.208 1
2 1249 . 1 1 1 A 104 104 PHE CA C 99 57.236 58.906 -1.670 1
2 1250 . 1 1 1 A 104 104 PHE HA H 99 4.529 4.024 0.505 1
2 1251 . 1 1 1 A 104 104 PHE CB C 99 38.997 35.938 3.059 1
2 1257 . 1 1 1 A 104 104 PHE C C 99 174.632 174.771 -0.139 1
2 1258 . 1 1 1 A 105 105 ARG N N 100 124.796 117.202 7.594 1
2 1259 . 1 1 1 A 105 105 ARG H H 100 8.101 7.689 0.412 1
2 1260 . 1 1 1 A 105 105 ARG CA C 100 52.969 55.505 -2.536 1
2 1261 . 1 1 1 A 105 105 ARG HA H 100 4.516 4.619 -0.103 1
2 1262 . 1 1 1 A 105 105 ARG CB C 100 30.069 30.334 -0.265 1
2 1271 . 1 1 1 A 105 105 ARG C C 100 172.924 175.893 -2.969 1
2 1273 . 1 1 1 A 106 106 PRO CA C 101 62.673 62.395 0.278 1
2 1274 . 1 1 1 A 106 106 PRO HA H 101 4.351 4.695 -0.344 1
2 1275 . 1 1 1 A 106 106 PRO CB C 101 31.726 33.386 -1.660 1
2 1283 . 1 1 1 A 106 106 PRO C C 101 176.395 176.631 -0.236 1
2 1284 . 1 1 1 A 107 107 ILE N N 102 121.380 120.597 0.783 1
2 1285 . 1 1 1 A 107 107 ILE H H 102 8.350 8.706 -0.356 1
2 1286 . 1 1 1 A 107 107 ILE CA C 102 60.940 60.577 0.363 1
2 1287 . 1 1 1 A 107 107 ILE HA H 102 4.039 4.533 -0.494 1
2 1288 . 1 1 1 A 107 107 ILE CB C 102 38.204 37.693 0.511 1
2 1301 . 1 1 1 A 107 107 ILE C C 102 175.990 175.519 0.471 1
2 1302 . 1 1 1 A 108 108 GLU N N 103 124.836 119.859 4.977 1
2 1303 . 1 1 1 A 108 108 GLU H H 103 8.578 8.421 0.157 1
2 1304 . 1 1 1 A 108 108 GLU CA C 103 55.883 57.558 -1.675 1
2 1305 . 1 1 1 A 108 108 GLU HA H 103 4.280 3.949 0.331 1
2 1306 . 1 1 1 A 108 108 GLU CB C 103 29.902 28.504 1.398 1
2 1312 . 1 1 1 A 108 108 GLU C C 103 175.670 175.712 -0.042 1
2 1313 . 1 1 1 A 109 109 GLU N N 104 122.847 117.137 5.710 1
2 1314 . 1 1 1 A 109 109 GLU H H 104 8.459 8.486 -0.027 1
2 1315 . 1 1 1 A 109 109 GLU CA C 104 55.902 57.486 -1.584 1
2 1316 . 1 1 1 A 109 109 GLU HA H 104 4.267 4.027 0.240 1
2 1317 . 1 1 1 A 109 109 GLU CB C 104 29.985 28.432 1.553 1
2 1322 . 1 1 1 A 109 109 GLU C C 104 174.661 175.284 -0.623 1
2 3 . 2 1 1 A 2 2 SER N N -4 115.528 116.340 -0.812 1
2 4 . 2 1 1 A 2 2 SER H H -4 8.751 8.748 0.003 1
2 5 . 2 1 1 A 2 2 SER CA C -4 57.687 61.165 -3.478 1
2 6 . 2 1 1 A 2 2 SER HA H -4 4.451 4.040 0.411 1
2 7 . 2 1 1 A 2 2 SER CB C -4 63.389 63.311 0.078 1
2 8 . 2 1 1 A 2 2 SER C C -4 173.913 174.550 -0.637 1
2 9 . 2 1 1 A 3 3 HIS N N -3 120.998 115.025 5.973 1
2 10 . 2 1 1 A 3 3 HIS H H -3 8.769 7.786 0.983 1
2 11 . 2 1 1 A 3 3 HIS CA C -3 55.010 55.061 -0.051 1
2 12 . 2 1 1 A 3 3 HIS HA H -3 4.707 4.836 -0.129 1
2 13 . 2 1 1 A 3 3 HIS CB C -3 28.916 29.598 -0.682 1
2 16 . 2 1 1 A 3 3 HIS C C -3 174.207 174.263 -0.056 1
2 17 . 2 1 1 A 4 4 MET N N -2 122.227 118.916 3.311 1
2 18 . 2 1 1 A 4 4 MET H H -2 8.518 7.872 0.646 1
2 19 . 2 1 1 A 4 4 MET CA C -2 55.014 54.912 0.102 1
2 20 . 2 1 1 A 4 4 MET HA H -2 4.418 4.884 -0.466 1
2 21 . 2 1 1 A 4 4 MET CB C -2 32.678 33.469 -0.791 1
2 31 . 2 1 1 A 4 4 MET C C -2 175.481 174.555 0.926 1
2 49 . 2 1 1 A 7 7 ALA N N 2 124.549 122.803 1.746 1
2 50 . 2 1 1 A 7 7 ALA H H 2 8.453 8.127 0.326 1
2 51 . 2 1 1 A 7 7 ALA CA C 2 53.221 54.500 -1.279 1
2 52 . 2 1 1 A 7 7 ALA HA H 2 4.194 4.066 0.128 1
2 56 . 2 1 1 A 7 7 ALA CB C 2 18.431 18.184 0.247 1
2 57 . 2 1 1 A 7 7 ALA C C 2 178.162 179.297 -1.135 1
2 58 . 2 1 1 A 8 8 ASP N N 3 118.618 118.526 0.092 1
2 59 . 2 1 1 A 8 8 ASP H H 3 8.064 7.764 0.300 1
2 60 . 2 1 1 A 8 8 ASP CA C 3 54.124 57.220 -3.096 1
2 61 . 2 1 1 A 8 8 ASP HA H 3 4.539 4.430 0.109 1
2 62 . 2 1 1 A 8 8 ASP CB C 3 40.341 40.601 -0.260 1
2 65 . 2 1 1 A 8 8 ASP C C 3 176.694 178.501 -1.807 1
2 66 . 2 1 1 A 9 9 LEU N N 4 123.427 121.248 2.179 1
2 67 . 2 1 1 A 9 9 LEU H H 4 8.202 7.886 0.316 1
2 68 . 2 1 1 A 9 9 LEU CA C 4 57.495 57.905 -0.410 1
2 69 . 2 1 1 A 9 9 LEU HA H 4 4.086 4.006 0.080 1
2 70 . 2 1 1 A 9 9 LEU CB C 4 41.905 41.611 0.294 1
2 82 . 2 1 1 A 9 9 LEU C C 4 178.839 178.692 0.147 1
2 83 . 2 1 1 A 10 10 VAL N N 5 119.385 119.116 0.269 1
2 84 . 2 1 1 A 10 10 VAL H H 5 8.186 8.275 -0.089 1
2 85 . 2 1 1 A 10 10 VAL CA C 5 66.585 66.672 -0.087 1
2 86 . 2 1 1 A 10 10 VAL HA H 5 3.420 3.478 -0.058 1
2 87 . 2 1 1 A 10 10 VAL CB C 5 31.177 31.570 -0.393 1
2 97 . 2 1 1 A 10 10 VAL C C 5 177.439 178.132 -0.693 1
2 98 . 2 1 1 A 11 11 SER N N 6 115.027 115.291 -0.264 1
2 99 . 2 1 1 A 11 11 SER H H 6 8.252 8.022 0.230 1
2 100 . 2 1 1 A 11 11 SER CA C 6 61.152 61.602 -0.450 1
2 101 . 2 1 1 A 11 11 SER HA H 6 4.055 4.013 0.042 1
2 102 . 2 1 1 A 11 11 SER CB C 6 62.161 62.853 -0.692 1
2 105 . 2 1 1 A 11 11 SER C C 6 176.036 177.303 -1.267 1
2 106 . 2 1 1 A 12 12 SER N N 7 115.144 116.409 -1.265 1
2 107 . 2 1 1 A 12 12 SER H H 7 8.053 8.050 0.003 1
2 108 . 2 1 1 A 12 12 SER CA C 7 60.168 61.463 -1.295 1
2 109 . 2 1 1 A 12 12 SER HA H 7 4.284 3.998 0.286 1
2 110 . 2 1 1 A 12 12 SER CB C 7 62.706 62.842 -0.136 1
2 113 . 2 1 1 A 12 12 SER C C 7 176.540 176.461 0.079 1
2 114 . 2 1 1 A 13 13 CYS N N 8 118.211 119.003 -0.792 1
2 115 . 2 1 1 A 13 13 CYS H H 8 7.919 8.306 -0.387 1
2 116 . 2 1 1 A 13 13 CYS CA C 8 63.651 63.981 -0.330 1
2 117 . 2 1 1 A 13 13 CYS HA H 8 4.026 4.115 -0.089 1
2 118 . 2 1 1 A 13 13 CYS CB C 8 26.641 27.041 -0.400 1
2 121 . 2 1 1 A 13 13 CYS C C 8 175.645 176.968 -1.323 1
2 122 . 2 1 1 A 14 14 LYS N N 9 120.074 121.520 -1.446 1
2 123 . 2 1 1 A 14 14 LYS H H 9 8.632 8.028 0.604 1
2 124 . 2 1 1 A 14 14 LYS CA C 9 60.441 59.587 0.854 1
2 125 . 2 1 1 A 14 14 LYS HA H 9 3.672 3.981 -0.309 1
2 126 . 2 1 1 A 14 14 LYS CB C 9 31.685 32.041 -0.356 1
2 138 . 2 1 1 A 14 14 LYS C C 9 177.615 177.790 -0.175 1
2 139 . 2 1 1 A 15 15 ASP N N 10 117.613 119.495 -1.882 1
2 140 . 2 1 1 A 15 15 ASP H H 10 7.732 8.118 -0.386 1
2 141 . 2 1 1 A 15 15 ASP CA C 10 56.175 57.308 -1.133 1
2 142 . 2 1 1 A 15 15 ASP HA H 10 4.307 4.202 0.105 1
2 143 . 2 1 1 A 15 15 ASP CB C 10 40.056 41.603 -1.547 1
2 146 . 2 1 1 A 15 15 ASP C C 10 177.650 178.541 -0.891 1
2 147 . 2 1 1 A 16 16 LYS N N 11 117.878 118.920 -1.042 1
2 148 . 2 1 1 A 16 16 LYS H H 11 7.254 7.706 -0.452 1
2 149 . 2 1 1 A 16 16 LYS CA C 11 58.962 58.713 0.249 1
2 150 . 2 1 1 A 16 16 LYS HA H 11 3.645 3.551 0.094 1
2 151 . 2 1 1 A 16 16 LYS CB C 11 32.951 31.823 1.128 1
2 160 . 2 1 1 A 16 16 LYS C C 11 177.263 177.986 -0.723 1
2 161 . 2 1 1 A 17 17 LEU N N 12 115.652 121.540 -5.888 1
2 162 . 2 1 1 A 17 17 LEU H H 12 8.138 8.309 -0.171 1
2 163 . 2 1 1 A 17 17 LEU CA C 12 56.726 58.095 -1.369 1
2 164 . 2 1 1 A 17 17 LEU HA H 12 3.579 4.092 -0.513 1
2 165 . 2 1 1 A 17 17 LEU CB C 12 41.959 41.283 0.676 1
2 176 . 2 1 1 A 17 17 LEU C C 12 177.485 178.315 -0.830 1
2 177 . 2 1 1 A 18 18 ALA N N 13 116.044 120.571 -4.527 1
2 178 . 2 1 1 A 18 18 ALA H H 13 7.080 8.493 -1.413 1
2 179 . 2 1 1 A 18 18 ALA CA C 13 53.389 54.444 -1.055 1
2 180 . 2 1 1 A 18 18 ALA HA H 13 3.963 4.088 -0.125 1
2 184 . 2 1 1 A 18 18 ALA CB C 13 18.161 18.733 -0.572 1
2 185 . 2 1 1 A 18 18 ALA C C 13 178.207 179.519 -1.312 1
2 186 . 2 1 1 A 19 19 TYR N N 14 115.556 119.449 -3.893 1
2 187 . 2 1 1 A 19 19 TYR H H 14 7.675 7.587 0.088 1
2 188 . 2 1 1 A 19 19 TYR CA C 14 58.647 59.956 -1.309 1
2 189 . 2 1 1 A 19 19 TYR HA H 14 4.304 4.206 0.098 1
2 190 . 2 1 1 A 19 19 TYR CB C 14 38.609 39.137 -0.528 1
2 199 . 2 1 1 A 19 19 TYR C C 14 175.911 175.866 0.045 1
2 200 . 2 1 1 A 20 20 PHE N N 15 118.275 119.342 -1.067 1
2 201 . 2 1 1 A 20 20 PHE H H 15 7.406 7.621 -0.215 1
2 202 . 2 1 1 A 20 20 PHE CA C 15 56.615 56.870 -0.255 1
2 203 . 2 1 1 A 20 20 PHE HA H 15 4.649 4.832 -0.183 1
2 204 . 2 1 1 A 20 20 PHE CB C 15 38.750 40.568 -1.818 1
2 215 . 2 1 1 A 20 20 PHE C C 15 176.160 176.030 0.130 1
2 216 . 2 1 1 A 21 21 ARG N N 16 119.140 124.164 -5.024 1
2 217 . 2 1 1 A 21 21 ARG H H 16 8.714 8.350 0.364 1
2 218 . 2 1 1 A 21 21 ARG CA C 16 54.349 56.092 -1.743 1
2 219 . 2 1 1 A 21 21 ARG HA H 16 4.751 4.271 0.480 1
2 220 . 2 1 1 A 21 21 ARG CB C 16 30.097 31.808 -1.711 1
2 236 . 2 1 1 A 21 21 ARG C C 16 177.095 177.629 -0.534 1
2 237 . 2 1 1 A 22 22 ILE N N 17 120.734 124.939 -4.205 1
2 238 . 2 1 1 A 22 22 ILE H H 17 8.708 8.832 -0.124 1
2 239 . 2 1 1 A 22 22 ILE CA C 17 65.145 64.846 0.299 1
2 240 . 2 1 1 A 22 22 ILE HA H 17 3.720 3.726 -0.006 1
2 241 . 2 1 1 A 22 22 ILE CB C 17 36.857 37.715 -0.858 1
2 254 . 2 1 1 A 22 22 ILE C C 17 176.745 177.905 -1.160 1
2 255 . 2 1 1 A 23 23 LYS N N 18 118.184 121.403 -3.219 1
2 256 . 2 1 1 A 23 23 LYS H H 18 8.267 8.205 0.062 1
2 257 . 2 1 1 A 23 23 LYS CA C 18 59.829 59.975 -0.146 1
2 258 . 2 1 1 A 23 23 LYS HA H 18 3.897 3.904 -0.007 1
2 259 . 2 1 1 A 23 23 LYS CB C 18 32.268 32.323 -0.055 1
2 271 . 2 1 1 A 23 23 LYS C C 18 178.159 178.772 -0.613 1
2 272 . 2 1 1 A 24 24 GLU N N 19 117.654 119.474 -1.820 1
2 273 . 2 1 1 A 24 24 GLU H H 19 7.198 8.008 -0.810 1
2 274 . 2 1 1 A 24 24 GLU CA C 19 60.612 59.335 1.277 1
2 275 . 2 1 1 A 24 24 GLU HA H 19 4.030 4.121 -0.091 1
2 276 . 2 1 1 A 24 24 GLU CB C 19 28.859 29.593 -0.734 1
2 282 . 2 1 1 A 24 24 GLU C C 19 178.521 179.382 -0.861 1
2 283 . 2 1 1 A 25 25 LEU N N 20 119.236 120.398 -1.162 1
2 284 . 2 1 1 A 25 25 LEU H H 20 7.980 8.363 -0.383 1
2 285 . 2 1 1 A 25 25 LEU CA C 20 57.676 57.874 -0.198 1
2 286 . 2 1 1 A 25 25 LEU HA H 20 3.904 4.051 -0.147 1
2 287 . 2 1 1 A 25 25 LEU CB C 20 42.218 40.621 1.597 1
2 294 . 2 1 1 A 25 25 LEU C C 20 177.990 179.083 -1.093 1
2 295 . 2 1 1 A 26 26 LYS N N 21 117.457 121.198 -3.741 1
2 296 . 2 1 1 A 26 26 LYS H H 21 8.770 8.442 0.328 1
2 297 . 2 1 1 A 26 26 LYS CA C 21 60.660 59.965 0.695 1
2 298 . 2 1 1 A 26 26 LYS HA H 21 3.787 3.981 -0.194 1
2 299 . 2 1 1 A 26 26 LYS CB C 21 31.876 32.160 -0.284 1
2 300 . 2 1 1 A 26 26 LYS C C 21 177.625 178.612 -0.987 1
2 301 . 2 1 1 A 27 27 ASP N N 22 119.023 119.965 -0.942 1
2 302 . 2 1 1 A 27 27 ASP H H 22 7.671 8.029 -0.358 1
2 303 . 2 1 1 A 27 27 ASP CA C 22 56.974 57.271 -0.297 1
2 304 . 2 1 1 A 27 27 ASP HA H 22 4.392 4.465 -0.073 1
2 305 . 2 1 1 A 27 27 ASP CB C 22 40.250 40.645 -0.395 1
2 308 . 2 1 1 A 27 27 ASP C C 22 180.796 178.519 2.277 1
2 309 . 2 1 1 A 28 28 ILE N N 23 119.318 120.248 -0.930 1
2 310 . 2 1 1 A 28 28 ILE H H 23 8.039 7.750 0.289 1
2 311 . 2 1 1 A 28 28 ILE CA C 23 65.365 65.614 -0.249 1
2 312 . 2 1 1 A 28 28 ILE HA H 23 3.587 3.684 -0.097 1
2 313 . 2 1 1 A 28 28 ILE CB C 23 37.408 38.165 -0.757 1
2 326 . 2 1 1 A 28 28 ILE C C 23 177.265 178.430 -1.165 1
2 327 . 2 1 1 A 29 29 LEU N N 24 120.356 121.530 -1.174 1
2 328 . 2 1 1 A 29 29 LEU H H 24 8.220 8.611 -0.391 1
2 329 . 2 1 1 A 29 29 LEU CA C 24 58.562 58.098 0.464 1
2 330 . 2 1 1 A 29 29 LEU HA H 24 3.806 4.075 -0.269 1
2 331 . 2 1 1 A 29 29 LEU CB C 24 39.477 41.368 -1.891 1
2 339 . 2 1 1 A 29 29 LEU C C 24 178.572 178.309 0.263 1
2 340 . 2 1 1 A 30 30 ASN N N 25 117.446 117.328 0.118 1
2 341 . 2 1 1 A 30 30 ASN H H 25 8.688 8.437 0.251 1
2 342 . 2 1 1 A 30 30 ASN CA C 25 56.092 57.141 -1.049 1
2 343 . 2 1 1 A 30 30 ASN HA H 25 4.493 4.382 0.111 1
2 344 . 2 1 1 A 30 30 ASN CB C 25 38.809 38.885 -0.076 1
2 351 . 2 1 1 A 30 30 ASN C C 25 178.884 177.613 1.271 1
2 352 . 2 1 1 A 31 31 GLN N N 26 119.946 117.739 2.207 1
2 353 . 2 1 1 A 31 31 GLN H H 26 8.184 7.657 0.527 1
2 354 . 2 1 1 A 31 31 GLN CA C 26 58.786 58.572 0.214 1
2 355 . 2 1 1 A 31 31 GLN HA H 26 4.041 4.204 -0.163 1
2 356 . 2 1 1 A 31 31 GLN CB C 26 29.089 28.525 0.564 1
2 366 . 2 1 1 A 31 31 GLN C C 26 177.656 179.220 -1.564 1
2 367 . 2 1 1 A 32 32 LEU N N 27 116.979 117.952 -0.973 1
2 368 . 2 1 1 A 32 32 LEU H H 27 7.893 7.749 0.144 1
2 369 . 2 1 1 A 32 32 LEU CA C 27 54.545 56.091 -1.546 1
2 370 . 2 1 1 A 32 32 LEU HA H 27 4.227 4.169 0.058 1
2 371 . 2 1 1 A 32 32 LEU CB C 27 42.063 42.611 -0.548 1
2 382 . 2 1 1 A 32 32 LEU C C 27 175.733 177.212 -1.479 1
2 383 . 2 1 1 A 33 33 GLY N N 28 108.299 106.381 1.918 1
2 384 . 2 1 1 A 33 33 GLY H H 28 7.834 7.874 -0.040 1
2 385 . 2 1 1 A 33 33 GLY CA C 28 45.707 46.433 -0.726 1
2 386 . 2 1 1 A 33 33 GLY HA2 H 28 3.952 3.953 -0.001 1
2 387 . 2 1 1 A 33 33 GLY HA3 H 28 3.952 3.954 -0.002 1
2 388 . 2 1 1 A 33 33 GLY C C 28 174.317 174.324 -0.007 1
2 389 . 2 1 1 A 34 34 LEU N N 29 120.833 121.877 -1.044 1
2 390 . 2 1 1 A 34 34 LEU H H 29 7.986 7.795 0.191 1
2 391 . 2 1 1 A 34 34 LEU CA C 29 51.558 51.966 -0.408 1
2 392 . 2 1 1 A 34 34 LEU HA H 29 4.744 4.777 -0.033 1
2 393 . 2 1 1 A 34 34 LEU CB C 29 43.525 42.971 0.554 1
2 405 . 2 1 1 A 35 35 PRO CA C 30 62.707 62.696 0.011 1
2 406 . 2 1 1 A 35 35 PRO HA H 30 4.351 4.526 -0.175 1
2 407 . 2 1 1 A 35 35 PRO CB C 30 31.919 32.594 -0.675 1
2 415 . 2 1 1 A 35 35 PRO C C 30 177.488 176.644 0.844 1
2 416 . 2 1 1 A 36 36 LYS N N 31 117.590 116.583 1.007 1
2 417 . 2 1 1 A 36 36 LYS H H 31 8.380 8.666 -0.286 1
2 418 . 2 1 1 A 36 36 LYS CA C 31 55.660 58.844 -3.184 1
2 419 . 2 1 1 A 36 36 LYS HA H 31 4.286 4.031 0.255 1
2 420 . 2 1 1 A 36 36 LYS CB C 31 33.239 30.319 2.920 1
2 430 . 2 1 1 A 36 36 LYS C C 31 174.384 175.181 -0.797 1
2 431 . 2 1 1 A 37 37 GLN N N 32 118.260 113.462 4.798 1
2 432 . 2 1 1 A 37 37 GLN H H 32 7.698 7.782 -0.084 1
2 433 . 2 1 1 A 37 37 GLN CA C 32 55.550 54.553 0.997 1
2 434 . 2 1 1 A 37 37 GLN HA H 32 4.376 4.603 -0.227 1
2 435 . 2 1 1 A 37 37 GLN CB C 32 28.221 30.665 -2.444 1
2 445 . 2 1 1 A 37 37 GLN C C 32 175.222 174.345 0.877 1
2 446 . 2 1 1 A 38 38 GLY N N 33 109.855 106.753 3.102 1
2 447 . 2 1 1 A 38 38 GLY H H 33 8.449 8.510 -0.061 1
2 448 . 2 1 1 A 38 38 GLY CA C 33 43.235 45.581 -2.346 1
2 449 . 2 1 1 A 38 38 GLY HA2 H 33 4.566 4.203 0.363 1
2 450 . 2 1 1 A 38 38 GLY HA3 H 33 3.789 4.204 -0.415 1
2 451 . 2 1 1 A 38 38 GLY C C 33 173.603 173.864 -0.261 1
2 452 . 2 1 1 A 39 39 LYS N N 34 117.627 120.646 -3.019 1
2 453 . 2 1 1 A 39 39 LYS H H 34 8.649 8.061 0.588 1
2 454 . 2 1 1 A 39 39 LYS CA C 34 54.563 55.608 -1.045 1
2 455 . 2 1 1 A 39 39 LYS HA H 34 4.394 4.397 -0.003 1
2 456 . 2 1 1 A 39 39 LYS CB C 34 32.892 33.481 -0.589 1
2 468 . 2 1 1 A 39 39 LYS C C 34 176.803 178.044 -1.241 1
2 469 . 2 1 1 A 40 40 LYS N N 35 121.705 124.315 -2.610 1
2 470 . 2 1 1 A 40 40 LYS H H 35 8.920 9.029 -0.109 1
2 471 . 2 1 1 A 40 40 LYS CA C 35 61.559 60.377 1.182 1
2 472 . 2 1 1 A 40 40 LYS HA H 35 3.597 3.910 -0.313 1
2 473 . 2 1 1 A 40 40 LYS CB C 35 31.953 32.147 -0.194 1
2 485 . 2 1 1 A 40 40 LYS C C 35 177.362 178.302 -0.940 1
2 486 . 2 1 1 A 41 41 GLN N N 36 114.637 118.722 -4.085 1
2 487 . 2 1 1 A 41 41 GLN H H 36 9.017 7.889 1.128 1
2 488 . 2 1 1 A 41 41 GLN CA C 36 57.638 58.713 -1.075 1
2 489 . 2 1 1 A 41 41 GLN HA H 36 3.719 4.054 -0.335 1
2 490 . 2 1 1 A 41 41 GLN CB C 36 27.865 28.444 -0.579 1
2 500 . 2 1 1 A 41 41 GLN C C 36 176.975 178.367 -1.392 1
2 501 . 2 1 1 A 42 42 ASP N N 37 115.984 120.087 -4.103 1
2 502 . 2 1 1 A 42 42 ASP H H 37 7.049 8.170 -1.121 1
2 503 . 2 1 1 A 42 42 ASP CA C 37 56.424 57.430 -1.006 1
2 504 . 2 1 1 A 42 42 ASP HA H 37 4.303 4.333 -0.030 1
2 505 . 2 1 1 A 42 42 ASP CB C 37 39.955 40.581 -0.626 1
2 508 . 2 1 1 A 42 42 ASP C C 37 178.454 178.933 -0.479 1
2 509 . 2 1 1 A 43 43 LEU N N 38 119.074 120.550 -1.476 1
2 510 . 2 1 1 A 43 43 LEU H H 38 7.725 8.465 -0.740 1
2 511 . 2 1 1 A 43 43 LEU CA C 38 57.716 58.017 -0.301 1
2 512 . 2 1 1 A 43 43 LEU HA H 38 3.794 3.971 -0.177 1
2 513 . 2 1 1 A 43 43 LEU CB C 38 40.211 42.252 -2.041 1
2 526 . 2 1 1 A 43 43 LEU C C 38 177.872 179.146 -1.274 1
2 527 . 2 1 1 A 44 44 ILE N N 39 118.343 118.451 -0.108 1
2 528 . 2 1 1 A 44 44 ILE H H 39 7.867 8.137 -0.270 1
2 529 . 2 1 1 A 44 44 ILE CA C 39 66.211 65.782 0.429 1
2 530 . 2 1 1 A 44 44 ILE HA H 39 3.319 3.499 -0.180 1
2 531 . 2 1 1 A 44 44 ILE CB C 39 37.985 37.750 0.235 1
2 541 . 2 1 1 A 44 44 ILE C C 39 177.711 177.810 -0.099 1
2 542 . 2 1 1 A 45 45 ASP N N 40 118.535 120.035 -1.500 1
2 543 . 2 1 1 A 45 45 ASP H H 40 8.503 8.775 -0.272 1
2 544 . 2 1 1 A 45 45 ASP CA C 40 56.817 57.405 -0.588 1
2 545 . 2 1 1 A 45 45 ASP HA H 40 4.256 4.461 -0.205 1
2 546 . 2 1 1 A 45 45 ASP CB C 40 39.815 40.366 -0.551 1
2 549 . 2 1 1 A 45 45 ASP C C 40 178.464 179.171 -0.707 1
2 550 . 2 1 1 A 46 46 ARG N N 41 120.910 121.080 -0.170 1
2 551 . 2 1 1 A 46 46 ARG H H 41 7.717 7.812 -0.095 1
2 552 . 2 1 1 A 46 46 ARG CA C 41 59.054 59.652 -0.598 1
2 553 . 2 1 1 A 46 46 ARG HA H 41 3.993 4.040 -0.047 1
2 554 . 2 1 1 A 46 46 ARG CB C 41 29.778 30.585 -0.807 1
2 563 . 2 1 1 A 46 46 ARG C C 41 177.565 178.479 -0.914 1
2 564 . 2 1 1 A 47 47 VAL N N 42 117.438 119.370 -1.932 1
2 565 . 2 1 1 A 47 47 VAL H H 42 7.445 8.225 -0.780 1
2 566 . 2 1 1 A 47 47 VAL CA C 42 66.095 66.398 -0.303 1
2 567 . 2 1 1 A 47 47 VAL HA H 42 3.446 3.692 -0.246 1
2 568 . 2 1 1 A 47 47 VAL CB C 42 31.113 31.813 -0.700 1
2 578 . 2 1 1 A 47 47 VAL C C 42 177.710 178.241 -0.531 1
2 579 . 2 1 1 A 48 48 LEU N N 43 117.085 117.582 -0.497 1
2 580 . 2 1 1 A 48 48 LEU H H 43 8.466 8.086 0.380 1
2 581 . 2 1 1 A 48 48 LEU CA C 43 57.406 57.771 -0.365 1
2 582 . 2 1 1 A 48 48 LEU HA H 43 3.851 3.977 -0.126 1
2 583 . 2 1 1 A 48 48 LEU CB C 43 40.779 41.187 -0.408 1
2 596 . 2 1 1 A 48 48 LEU C C 43 179.581 179.648 -0.067 1
2 597 . 2 1 1 A 49 49 ALA N N 44 120.480 122.025 -1.545 1
2 598 . 2 1 1 A 49 49 ALA H H 44 7.952 8.017 -0.065 1
2 599 . 2 1 1 A 49 49 ALA CA C 44 53.998 54.654 -0.656 1
2 600 . 2 1 1 A 49 49 ALA HA H 44 4.104 4.117 -0.013 1
2 604 . 2 1 1 A 49 49 ALA CB C 44 17.685 18.107 -0.422 1
2 605 . 2 1 1 A 49 49 ALA C C 44 178.926 179.485 -0.559 1
2 606 . 2 1 1 A 50 50 LEU N N 45 115.306 120.391 -5.085 1
2 607 . 2 1 1 A 50 50 LEU H H 45 7.428 7.755 -0.327 1
2 608 . 2 1 1 A 50 50 LEU CA C 45 55.650 57.671 -2.021 1
2 609 . 2 1 1 A 50 50 LEU HA H 45 4.206 4.154 0.052 1
2 610 . 2 1 1 A 50 50 LEU CB C 45 41.937 41.864 0.073 1
2 623 . 2 1 1 A 50 50 LEU C C 45 177.840 178.772 -0.932 1
2 624 . 2 1 1 A 51 51 LEU N N 46 115.880 118.689 -2.809 1
2 625 . 2 1 1 A 51 51 LEU H H 46 7.642 7.950 -0.308 1
2 626 . 2 1 1 A 51 51 LEU CA C 46 54.861 56.311 -1.450 1
2 627 . 2 1 1 A 51 51 LEU HA H 46 4.260 4.228 0.032 1
2 628 . 2 1 1 A 51 51 LEU CB C 46 42.228 41.937 0.291 1
2 638 . 2 1 1 A 51 51 LEU C C 46 176.015 177.543 -1.528 1
2 639 . 2 1 1 A 52 52 THR N N 47 109.201 112.884 -3.683 1
2 640 . 2 1 1 A 52 52 THR H H 47 7.515 7.512 0.003 1
2 641 . 2 1 1 A 52 52 THR CA C 47 60.972 64.614 -3.642 1
2 642 . 2 1 1 A 52 52 THR HA H 47 4.345 4.312 0.033 1
2 643 . 2 1 1 A 52 52 THR CB C 47 69.620 69.413 0.207 1
2 649 . 2 1 1 A 52 52 THR C C 47 173.733 175.344 -1.611 1
2 650 . 2 1 1 A 53 53 ASP N N 48 122.188 118.843 3.345 1
2 651 . 2 1 1 A 53 53 ASP H H 48 8.280 8.248 0.032 1
2 652 . 2 1 1 A 53 53 ASP CA C 48 54.205 56.285 -2.080 1
2 653 . 2 1 1 A 53 53 ASP HA H 48 4.686 4.546 0.140 1
2 654 . 2 1 1 A 53 53 ASP CB C 48 40.766 40.460 0.306 1
2 658 . 2 1 1 A 53 53 ASP C C 48 176.000 176.793 -0.793 1
2 659 . 2 1 1 A 54 54 GLU N N 49 121.966 118.844 3.122 1
2 660 . 2 1 1 A 54 54 GLU H H 49 8.589 7.816 0.773 1
2 661 . 2 1 1 A 54 54 GLU CA C 49 56.448 55.624 0.824 1
2 662 . 2 1 1 A 54 54 GLU HA H 49 4.234 4.732 -0.498 1
2 663 . 2 1 1 A 54 54 GLU CB C 49 29.642 30.854 -1.212 1
2 669 . 2 1 1 A 54 54 GLU C C 49 176.522 176.872 -0.350 1
2 670 . 2 1 1 A 55 55 GLN N N 50 120.727 118.711 2.016 1
2 671 . 2 1 1 A 55 55 GLN H H 50 8.642 7.871 0.771 1
2 672 . 2 1 1 A 55 55 GLN CA C 50 56.251 55.361 0.890 1
2 673 . 2 1 1 A 55 55 GLN HA H 50 4.217 4.226 -0.009 1
2 674 . 2 1 1 A 55 55 GLN CB C 50 28.555 28.927 -0.372 1
2 684 . 2 1 1 A 55 55 GLN C C 50 176.519 176.818 -0.299 1
2 685 . 2 1 1 A 56 56 GLY N N 51 109.357 109.536 -0.179 1
2 686 . 2 1 1 A 56 56 GLY H H 51 8.519 8.168 0.351 1
2 687 . 2 1 1 A 56 56 GLY CA C 51 45.276 46.810 -1.534 1
2 688 . 2 1 1 A 56 56 GLY HA2 H 51 3.950 3.988 -0.038 1
2 689 . 2 1 1 A 56 56 GLY HA3 H 51 3.809 4.144 -0.335 1
2 690 . 2 1 1 A 56 56 GLY C C 51 174.146 175.315 -1.169 1
2 691 . 2 1 1 A 57 57 GLN N N 52 119.207 118.549 0.658 1
2 692 . 2 1 1 A 57 57 GLN H H 52 8.263 8.299 -0.036 1
2 693 . 2 1 1 A 57 57 GLN CA C 52 55.572 55.588 -0.016 1
2 694 . 2 1 1 A 57 57 GLN HA H 52 4.203 4.501 -0.298 1
2 695 . 2 1 1 A 57 57 GLN CB C 52 28.656 29.256 -0.600 1
2 705 . 2 1 1 A 57 57 GLN C C 52 175.872 176.447 -0.575 1
2 706 . 2 1 1 A 58 58 ARG N N 53 120.525 118.670 1.855 1
2 707 . 2 1 1 A 58 58 ARG H H 53 8.279 8.007 0.272 1
2 708 . 2 1 1 A 58 58 ARG CA C 53 55.883 56.683 -0.800 1
2 709 . 2 1 1 A 58 58 ARG HA H 53 4.176 4.592 -0.416 1
2 710 . 2 1 1 A 58 58 ARG CB C 53 30.031 33.491 -3.460 1
2 721 . 2 1 1 A 58 58 ARG C C 53 175.820 176.436 -0.616 1
2 722 . 2 1 1 A 59 59 HIS N N 54 118.905 117.248 1.657 1
2 723 . 2 1 1 A 59 59 HIS H H 54 8.398 7.844 0.554 1
2 724 . 2 1 1 A 59 59 HIS CA C 54 54.908 55.568 -0.660 1
2 725 . 2 1 1 A 59 59 HIS HA H 54 4.548 4.786 -0.238 1
2 726 . 2 1 1 A 59 59 HIS CB C 54 28.953 30.338 -1.385 1
2 729 . 2 1 1 A 59 59 HIS C C 54 174.136 173.390 0.746 1
2 730 . 2 1 1 A 60 60 HIS N N 55 119.527 116.776 2.751 1
2 731 . 2 1 1 A 60 60 HIS H H 55 8.493 8.150 0.343 1
2 732 . 2 1 1 A 60 60 HIS CA C 55 55.274 55.033 0.241 1
2 733 . 2 1 1 A 60 60 HIS HA H 55 4.552 4.119 0.433 1
2 734 . 2 1 1 A 60 60 HIS CB C 55 28.913 30.608 -1.695 1
2 737 . 2 1 1 A 60 60 HIS C C 55 174.595 175.115 -0.520 1
2 738 . 2 1 1 A 61 61 GLY N N 56 110.215 106.528 3.687 1
2 739 . 2 1 1 A 61 61 GLY H H 56 8.604 7.741 0.863 1
2 740 . 2 1 1 A 61 61 GLY CA C 56 44.977 44.801 0.176 1
2 741 . 2 1 1 A 61 61 GLY HA2 H 56 3.956 3.647 0.309 1
2 742 . 2 1 1 A 61 61 GLY HA3 H 56 3.831 3.671 0.160 1
2 743 . 2 1 1 A 61 61 GLY C C 56 173.752 174.538 -0.786 1
2 744 . 2 1 1 A 62 62 TRP N N 57 120.700 117.765 2.935 1
2 745 . 2 1 1 A 62 62 TRP H H 57 8.175 7.121 1.054 1
2 746 . 2 1 1 A 62 62 TRP CA C 57 56.929 57.535 -0.606 1
2 747 . 2 1 1 A 62 62 TRP HA H 57 4.663 4.841 -0.178 1
2 748 . 2 1 1 A 62 62 TRP CB C 57 29.142 31.229 -2.087 1
2 763 . 2 1 1 A 62 62 TRP C C 57 176.442 177.209 -0.767 1
2 764 . 2 1 1 A 63 63 GLY N N 58 110.195 108.615 1.580 1
2 765 . 2 1 1 A 63 63 GLY H H 58 8.452 8.330 0.122 1
2 766 . 2 1 1 A 63 63 GLY CA C 58 45.052 46.643 -1.591 1
2 767 . 2 1 1 A 63 63 GLY HA2 H 58 3.925 4.025 -0.100 1
2 768 . 2 1 1 A 63 63 GLY HA3 H 58 3.833 4.075 -0.242 1
2 769 . 2 1 1 A 63 63 GLY C C 58 173.738 174.713 -0.975 1
2 770 . 2 1 1 A 64 64 ARG N N 59 120.374 120.327 0.047 1
2 771 . 2 1 1 A 64 64 ARG H H 59 8.136 8.193 -0.057 1
2 772 . 2 1 1 A 64 64 ARG CA C 59 55.799 57.734 -1.935 1
2 773 . 2 1 1 A 64 64 ARG HA H 59 4.287 4.184 0.103 1
2 774 . 2 1 1 A 64 64 ARG CB C 59 30.371 30.829 -0.458 1
2 785 . 2 1 1 A 64 64 ARG C C 59 176.287 176.725 -0.438 1
2 786 . 2 1 1 A 65 65 LYS N N 60 121.593 114.990 6.603 1
2 787 . 2 1 1 A 65 65 LYS H H 60 8.483 7.638 0.845 1
2 788 . 2 1 1 A 65 65 LYS CA C 60 56.353 55.506 0.847 1
2 789 . 2 1 1 A 65 65 LYS HA H 60 4.218 4.676 -0.458 1
2 790 . 2 1 1 A 65 65 LYS CB C 60 32.260 32.273 -0.013 1
2 796 . 2 1 1 A 65 65 LYS C C 60 176.102 176.093 0.009 1
2 797 . 2 1 1 A 66 66 ASN N N 61 118.654 118.933 -0.279 1
2 798 . 2 1 1 A 66 66 ASN H H 61 8.413 8.361 0.052 1
2 799 . 2 1 1 A 66 66 ASN CA C 61 53.055 51.877 1.178 1
2 800 . 2 1 1 A 66 66 ASN HA H 61 4.639 5.011 -0.372 1
2 801 . 2 1 1 A 66 66 ASN CB C 61 38.385 39.656 -1.271 1
2 808 . 2 1 1 A 66 66 ASN C C 61 174.531 175.368 -0.837 1
2 809 . 2 1 1 A 67 67 SER N N 62 115.491 112.183 3.308 1
2 810 . 2 1 1 A 67 67 SER H H 62 8.288 8.419 -0.131 1
2 811 . 2 1 1 A 67 67 SER CA C 62 57.980 59.338 -1.358 1
2 812 . 2 1 1 A 67 67 SER HA H 62 4.283 4.324 -0.041 1
2 813 . 2 1 1 A 67 67 SER CB C 62 63.205 61.092 2.113 1
2 816 . 2 1 1 A 67 67 SER C C 62 173.864 174.046 -0.182 1
2 817 . 2 1 1 A 68 68 LEU N N 63 123.549 116.328 7.221 1
2 818 . 2 1 1 A 68 68 LEU H H 63 8.063 7.925 0.138 1
2 819 . 2 1 1 A 68 68 LEU CA C 63 54.098 54.096 0.002 1
2 820 . 2 1 1 A 68 68 LEU HA H 63 4.481 4.679 -0.198 1
2 821 . 2 1 1 A 68 68 LEU CB C 63 42.494 42.917 -0.423 1
2 834 . 2 1 1 A 68 68 LEU C C 63 176.532 175.852 0.680 1
2 835 . 2 1 1 A 69 69 THR N N 64 112.637 114.024 -1.387 1
2 836 . 2 1 1 A 69 69 THR H H 64 7.797 7.501 0.296 1
2 837 . 2 1 1 A 69 69 THR CA C 64 59.915 61.025 -1.110 1
2 838 . 2 1 1 A 69 69 THR HA H 64 4.490 4.894 -0.404 1
2 839 . 2 1 1 A 69 69 THR CB C 64 70.852 71.845 -0.993 1
2 845 . 2 1 1 A 69 69 THR C C 64 174.998 175.545 -0.547 1
2 846 . 2 1 1 A 70 70 LYS N N 65 120.128 123.358 -3.230 1
2 847 . 2 1 1 A 70 70 LYS H H 65 9.059 8.937 0.122 1
2 848 . 2 1 1 A 70 70 LYS CA C 65 59.535 59.057 0.478 1
2 849 . 2 1 1 A 70 70 LYS HA H 65 3.909 4.039 -0.130 1
2 850 . 2 1 1 A 70 70 LYS CB C 65 31.890 31.845 0.045 1
2 858 . 2 1 1 A 70 70 LYS C C 65 177.536 178.500 -0.964 1
2 859 . 2 1 1 A 71 71 GLU N N 66 117.667 119.539 -1.872 1
2 860 . 2 1 1 A 71 71 GLU H H 66 8.699 8.670 0.029 1
2 861 . 2 1 1 A 71 71 GLU CA C 66 60.199 59.167 1.032 1
2 862 . 2 1 1 A 71 71 GLU HA H 66 3.806 4.106 -0.300 1
2 863 . 2 1 1 A 71 71 GLU CB C 66 27.986 29.911 -1.925 1
2 870 . 2 1 1 A 71 71 GLU C C 66 178.416 179.080 -0.664 1
2 871 . 2 1 1 A 72 72 ALA N N 67 123.924 122.223 1.701 1
2 872 . 2 1 1 A 72 72 ALA H H 67 7.992 7.544 0.448 1
2 873 . 2 1 1 A 72 72 ALA CA C 67 54.477 54.812 -0.335 1
2 874 . 2 1 1 A 72 72 ALA HA H 67 4.110 4.133 -0.023 1
2 878 . 2 1 1 A 72 72 ALA CB C 67 18.301 19.007 -0.706 1
2 879 . 2 1 1 A 72 72 ALA C C 67 178.721 179.352 -0.631 1
2 880 . 2 1 1 A 73 73 VAL N N 68 119.434 118.240 1.194 1
2 881 . 2 1 1 A 73 73 VAL H H 68 8.044 8.042 0.002 1
2 882 . 2 1 1 A 73 73 VAL CA C 68 66.089 66.586 -0.497 1
2 883 . 2 1 1 A 73 73 VAL HA H 68 3.473 3.577 -0.104 1
2 884 . 2 1 1 A 73 73 VAL CB C 68 31.150 31.552 -0.402 1
2 894 . 2 1 1 A 73 73 VAL C C 68 177.001 178.459 -1.458 1
2 895 . 2 1 1 A 74 74 ALA N N 69 120.671 121.481 -0.810 1
2 896 . 2 1 1 A 74 74 ALA H H 69 8.407 8.273 0.134 1
2 897 . 2 1 1 A 74 74 ALA CA C 69 54.727 55.075 -0.348 1
2 898 . 2 1 1 A 74 74 ALA HA H 69 3.968 4.153 -0.185 1
2 902 . 2 1 1 A 74 74 ALA CB C 69 18.066 18.215 -0.149 1
2 903 . 2 1 1 A 74 74 ALA C C 69 178.820 179.731 -0.911 1
2 904 . 2 1 1 A 75 75 LYS N N 70 118.624 118.164 0.460 1
2 905 . 2 1 1 A 75 75 LYS H H 70 7.930 7.927 0.003 1
2 906 . 2 1 1 A 75 75 LYS CA C 70 58.807 59.790 -0.983 1
2 907 . 2 1 1 A 75 75 LYS HA H 70 4.086 4.068 0.018 1
2 908 . 2 1 1 A 75 75 LYS CB C 70 31.776 32.347 -0.571 1
2 918 . 2 1 1 A 75 75 LYS C C 70 177.424 179.139 -1.715 1
2 919 . 2 1 1 A 76 76 ILE N N 71 120.234 119.940 0.294 1
2 920 . 2 1 1 A 76 76 ILE H H 71 7.478 7.834 -0.356 1
2 921 . 2 1 1 A 76 76 ILE CA C 71 64.885 64.777 0.108 1
2 922 . 2 1 1 A 76 76 ILE HA H 71 3.960 3.799 0.161 1
2 923 . 2 1 1 A 76 76 ILE CB C 71 37.810 37.276 0.534 1
2 936 . 2 1 1 A 76 76 ILE C C 71 179.734 178.244 1.490 1
2 937 . 2 1 1 A 77 77 VAL N N 72 122.502 120.423 2.079 1
2 938 . 2 1 1 A 77 77 VAL H H 72 8.325 8.165 0.160 1
2 939 . 2 1 1 A 77 77 VAL CA C 72 67.450 66.777 0.673 1
2 940 . 2 1 1 A 77 77 VAL HA H 72 3.576 4.070 -0.494 1
2 941 . 2 1 1 A 77 77 VAL CB C 72 30.928 31.639 -0.711 1
2 951 . 2 1 1 A 77 77 VAL C C 72 176.906 177.995 -1.089 1
2 952 . 2 1 1 A 78 78 ASP N N 73 120.524 120.425 0.099 1
2 953 . 2 1 1 A 78 78 ASP H H 73 8.798 8.228 0.570 1
2 954 . 2 1 1 A 78 78 ASP CA C 73 58.206 56.907 1.299 1
2 955 . 2 1 1 A 78 78 ASP HA H 73 4.379 4.546 -0.167 1
2 956 . 2 1 1 A 78 78 ASP CB C 73 41.420 40.988 0.432 1
2 960 . 2 1 1 A 78 78 ASP C C 73 178.068 178.532 -0.464 1
2 961 . 2 1 1 A 79 79 ASP N N 74 119.761 120.013 -0.252 1
2 962 . 2 1 1 A 79 79 ASP H H 74 9.318 8.175 1.143 1
2 963 . 2 1 1 A 79 79 ASP CA C 74 57.025 57.273 -0.248 1
2 964 . 2 1 1 A 79 79 ASP HA H 74 4.404 4.382 0.022 1
2 965 . 2 1 1 A 79 79 ASP CB C 74 40.007 40.248 -0.241 1
2 969 . 2 1 1 A 79 79 ASP C C 74 178.813 178.682 0.131 1
2 970 . 2 1 1 A 80 80 THR N N 75 117.342 116.419 0.923 1
2 971 . 2 1 1 A 80 80 THR H H 75 8.084 8.050 0.034 1
2 972 . 2 1 1 A 80 80 THR CA C 75 66.977 66.233 0.744 1
2 973 . 2 1 1 A 80 80 THR HA H 75 3.826 3.885 -0.059 1
2 974 . 2 1 1 A 80 80 THR CB C 75 67.725 68.321 -0.596 1
2 980 . 2 1 1 A 80 80 THR C C 75 175.367 175.964 -0.597 1
2 981 . 2 1 1 A 81 81 TYR N N 76 123.732 122.442 1.290 1
2 982 . 2 1 1 A 81 81 TYR H H 76 8.830 7.992 0.838 1
2 983 . 2 1 1 A 81 81 TYR CA C 76 61.713 60.987 0.726 1
2 984 . 2 1 1 A 81 81 TYR HA H 76 4.265 4.374 -0.109 1
2 985 . 2 1 1 A 81 81 TYR CB C 76 38.849 38.893 -0.044 1
2 994 . 2 1 1 A 81 81 TYR C C 76 176.700 178.177 -1.477 1
2 995 . 2 1 1 A 82 82 ARG N N 77 118.508 118.995 -0.487 1
2 996 . 2 1 1 A 82 82 ARG H H 77 8.754 8.529 0.225 1
2 997 . 2 1 1 A 82 82 ARG CA C 77 58.792 58.908 -0.116 1
2 998 . 2 1 1 A 82 82 ARG HA H 77 3.890 4.008 -0.118 1
2 999 . 2 1 1 A 82 82 ARG CB C 77 29.498 29.957 -0.459 1
2 1015 . 2 1 1 A 82 82 ARG C C 77 178.748 178.123 0.625 1
2 1016 . 2 1 1 A 83 83 LYS N N 78 118.079 118.565 -0.486 1
2 1017 . 2 1 1 A 83 83 LYS H H 78 7.696 7.939 -0.243 1
2 1018 . 2 1 1 A 83 83 LYS CA C 78 58.671 59.148 -0.477 1
2 1019 . 2 1 1 A 83 83 LYS HA H 78 4.024 4.053 -0.029 1
2 1020 . 2 1 1 A 83 83 LYS CB C 78 32.057 32.040 0.017 1
2 1026 . 2 1 1 A 83 83 LYS C C 78 177.743 178.566 -0.823 1
2 1027 . 2 1 1 A 84 84 MET N N 79 118.241 119.461 -1.220 1
2 1028 . 2 1 1 A 84 84 MET H H 79 7.748 7.908 -0.160 1
2 1029 . 2 1 1 A 84 84 MET CA C 79 57.209 57.879 -0.670 1
2 1030 . 2 1 1 A 84 84 MET HA H 79 4.170 4.166 0.004 1
2 1031 . 2 1 1 A 84 84 MET CB C 79 32.320 32.233 0.087 1
2 1041 . 2 1 1 A 84 84 MET C C 79 177.036 178.193 -1.157 1
2 1042 . 2 1 1 A 85 85 GLN N N 80 117.242 119.129 -1.887 1
2 1043 . 2 1 1 A 85 85 GLN H H 80 7.843 7.595 0.248 1
2 1044 . 2 1 1 A 85 85 GLN CA C 80 56.523 58.390 -1.867 1
2 1045 . 2 1 1 A 85 85 GLN HA H 80 3.993 4.128 -0.135 1
2 1046 . 2 1 1 A 85 85 GLN CB C 80 28.240 28.205 0.035 1
2 1056 . 2 1 1 A 85 85 GLN C C 80 176.690 175.555 1.135 1
2 1057 . 2 1 1 A 86 86 ILE N N 81 119.178 118.794 0.384 1
2 1058 . 2 1 1 A 86 86 ILE H H 81 7.715 7.849 -0.134 1
2 1059 . 2 1 1 A 86 86 ILE CA C 81 62.073 62.420 -0.347 1
2 1060 . 2 1 1 A 86 86 ILE HA H 81 3.934 3.938 -0.004 1
2 1061 . 2 1 1 A 86 86 ILE CB C 81 37.966 35.716 2.250 1
2 1074 . 2 1 1 A 86 86 ILE C C 81 176.673 174.779 1.894 1
2 1075 . 2 1 1 A 87 87 GLN N N 82 121.386 120.579 0.807 1
2 1076 . 2 1 1 A 87 87 GLN H H 82 8.164 7.722 0.442 1
2 1077 . 2 1 1 A 87 87 GLN CA C 82 55.968 55.094 0.874 1
2 1078 . 2 1 1 A 87 87 GLN HA H 82 4.214 4.368 -0.154 1
2 1079 . 2 1 1 A 87 87 GLN CB C 82 28.735 30.606 -1.871 1
2 1088 . 2 1 1 A 87 87 GLN C C 82 175.836 175.961 -0.125 1
2 1089 . 2 1 1 A 88 88 CYS N N 83 118.663 120.328 -1.665 1
2 1090 . 2 1 1 A 88 88 CYS H H 83 8.238 8.520 -0.282 1
2 1091 . 2 1 1 A 88 88 CYS CA C 83 57.997 58.635 -0.638 1
2 1092 . 2 1 1 A 88 88 CYS HA H 83 4.467 4.572 -0.105 1
2 1093 . 2 1 1 A 88 88 CYS CB C 83 27.582 26.461 1.121 1
2 1096 . 2 1 1 A 88 88 CYS C C 83 173.432 173.749 -0.317 1
2 1097 . 2 1 1 A 89 89 ALA N N 84 127.014 120.427 6.587 1
2 1098 . 2 1 1 A 89 89 ALA H H 84 8.249 7.965 0.284 1
2 1099 . 2 1 1 A 89 89 ALA CA C 84 50.607 53.044 -2.437 1
2 1100 . 2 1 1 A 89 89 ALA HA H 84 4.544 4.175 0.369 1
2 1104 . 2 1 1 A 89 89 ALA CB C 84 17.658 18.106 -0.448 1
2 1105 . 2 1 1 A 89 89 ALA C C 84 175.125 177.797 -2.672 1
2 1107 . 2 1 1 A 90 90 PRO CA C 85 62.995 63.619 -0.624 1
2 1108 . 2 1 1 A 90 90 PRO HA H 85 4.373 4.650 -0.277 1
2 1109 . 2 1 1 A 90 90 PRO CB C 85 31.692 32.355 -0.663 1
2 1117 . 2 1 1 A 90 90 PRO C C 85 176.407 177.054 -0.647 1
2 1118 . 2 1 1 A 91 91 ASP N N 86 119.209 118.799 0.410 1
2 1119 . 2 1 1 A 91 91 ASP H H 86 8.429 8.168 0.261 1
2 1120 . 2 1 1 A 91 91 ASP CA C 86 53.752 54.831 -1.079 1
2 1121 . 2 1 1 A 91 91 ASP HA H 86 4.394 4.340 0.054 1
2 1122 . 2 1 1 A 91 91 ASP CB C 86 40.319 39.171 1.148 1
2 1125 . 2 1 1 A 91 91 ASP C C 86 176.101 176.517 -0.416 1
2 1126 . 2 1 1 A 92 92 LEU N N 87 122.571 121.163 1.408 1
2 1127 . 2 1 1 A 92 92 LEU H H 87 8.208 7.884 0.324 1
2 1128 . 2 1 1 A 92 92 LEU CA C 87 55.286 57.252 -1.966 1
2 1129 . 2 1 1 A 92 92 LEU HA H 87 4.204 4.198 0.006 1
2 1130 . 2 1 1 A 92 92 LEU CB C 87 41.786 42.991 -1.205 1
2 1143 . 2 1 1 A 92 92 LEU C C 87 177.406 176.261 1.145 1
2 1144 . 2 1 1 A 93 93 ALA N N 88 123.131 120.799 2.332 1
2 1145 . 2 1 1 A 93 93 ALA H H 88 8.305 7.985 0.320 1
2 1146 . 2 1 1 A 93 93 ALA CA C 88 52.876 53.401 -0.525 1
2 1147 . 2 1 1 A 93 93 ALA HA H 88 4.263 4.012 0.251 1
2 1151 . 2 1 1 A 93 93 ALA CB C 88 18.672 17.671 1.001 1
2 1152 . 2 1 1 A 93 93 ALA C C 88 178.033 176.249 1.784 1
2 1153 . 2 1 1 A 94 94 THR N N 89 112.097 102.220 9.877 1
2 1154 . 2 1 1 A 94 94 THR H H 89 7.994 8.271 -0.277 1
2 1155 . 2 1 1 A 94 94 THR CA C 89 61.640 63.217 -1.577 1
2 1156 . 2 1 1 A 94 94 THR HA H 89 4.251 3.942 0.309 1
2 1157 . 2 1 1 A 94 94 THR CB C 89 69.063 66.239 2.824 1
2 1163 . 2 1 1 A 94 94 THR C C 89 174.493 173.892 0.601 1
2 1164 . 2 1 1 A 95 95 ARG N N 90 122.704 114.097 8.607 1
2 1165 . 2 1 1 A 95 95 ARG H H 90 8.211 8.294 -0.083 1
2 1166 . 2 1 1 A 95 95 ARG CA C 90 55.718 57.572 -1.854 1
2 1167 . 2 1 1 A 95 95 ARG HA H 90 4.324 3.993 0.331 1
2 1168 . 2 1 1 A 95 95 ARG CB C 90 30.309 27.546 2.763 1
2 1179 . 2 1 1 A 95 95 ARG C C 90 175.927 176.103 -0.176 1
2 1180 . 2 1 1 A 96 96 SER N N 91 116.390 113.283 3.107 1
2 1181 . 2 1 1 A 96 96 SER H H 91 8.365 7.945 0.420 1
2 1182 . 2 1 1 A 96 96 SER CA C 91 57.823 57.977 -0.154 1
2 1183 . 2 1 1 A 96 96 SER HA H 91 4.356 4.745 -0.389 1
2 1184 . 2 1 1 A 96 96 SER CB C 91 63.214 63.228 -0.014 1
2 1187 . 2 1 1 A 96 96 SER C C 91 174.011 174.564 -0.553 1
2 1188 . 2 1 1 A 97 97 HIS N N 92 120.507 119.778 0.729 1
2 1189 . 2 1 1 A 97 97 HIS H H 92 8.541 8.031 0.510 1
2 1190 . 2 1 1 A 97 97 HIS CA C 92 54.960 56.801 -1.841 1
2 1191 . 2 1 1 A 97 97 HIS HA H 92 4.704 4.764 -0.060 1
2 1192 . 2 1 1 A 97 97 HIS CB C 92 28.518 32.143 -3.625 1
2 1197 . 2 1 1 A 97 97 HIS C C 92 174.186 175.704 -1.518 1
2 1198 . 2 1 1 A 98 98 SER N N 93 116.801 110.222 6.579 1
2 1199 . 2 1 1 A 98 98 SER H H 93 8.455 7.820 0.635 1
2 1200 . 2 1 1 A 98 98 SER CA C 93 57.880 57.508 0.372 1
2 1201 . 2 1 1 A 98 98 SER HA H 93 4.445 4.596 -0.151 1
2 1202 . 2 1 1 A 98 98 SER CB C 93 63.434 63.165 0.269 1
2 1205 . 2 1 1 A 98 98 SER C C 93 174.508 173.694 0.814 1
2 1206 . 2 1 1 A 99 99 GLY N N 94 111.114 110.574 0.540 1
2 1207 . 2 1 1 A 99 99 GLY H H 94 8.597 8.104 0.493 1
2 1208 . 2 1 1 A 99 99 GLY CA C 94 44.888 44.828 0.060 1
2 1209 . 2 1 1 A 99 99 GLY HA2 H 94 3.998 4.197 -0.199 1
2 1210 . 2 1 1 A 99 99 GLY HA3 H 94 3.998 4.207 -0.209 1
2 1211 . 2 1 1 A 99 99 GLY C C 94 173.856 174.154 -0.298 1
2 1212 . 2 1 1 A 100 100 SER N N 95 115.398 116.932 -1.534 1
2 1213 . 2 1 1 A 100 100 SER H H 95 8.311 8.273 0.038 1
2 1214 . 2 1 1 A 100 100 SER CA C 95 57.888 57.493 0.395 1
2 1215 . 2 1 1 A 100 100 SER HA H 95 4.408 4.783 -0.375 1
2 1216 . 2 1 1 A 100 100 SER CB C 95 63.328 63.977 -0.649 1
2 1219 . 2 1 1 A 100 100 SER C C 95 173.725 174.420 -0.695 1
2 1220 . 2 1 1 A 101 101 ASP N N 96 121.810 119.075 2.735 1
2 1221 . 2 1 1 A 101 101 ASP H H 96 8.380 8.454 -0.074 1
2 1222 . 2 1 1 A 101 101 ASP CA C 96 53.813 55.571 -1.758 1
2 1223 . 2 1 1 A 101 101 ASP HA H 96 4.536 4.371 0.165 1
2 1224 . 2 1 1 A 101 101 ASP CB C 96 40.438 39.258 1.180 1
2 1227 . 2 1 1 A 101 101 ASP C C 96 175.524 176.182 -0.658 1
2 1228 . 2 1 1 A 102 102 PHE N N 97 120.706 116.923 3.783 1
2 1229 . 2 1 1 A 102 102 PHE H H 97 8.249 8.504 -0.255 1
2 1230 . 2 1 1 A 102 102 PHE CA C 97 57.323 59.053 -1.730 1
2 1231 . 2 1 1 A 102 102 PHE HA H 97 4.527 4.180 0.347 1
2 1232 . 2 1 1 A 102 102 PHE CB C 97 38.989 37.843 1.146 1
2 1238 . 2 1 1 A 102 102 PHE C C 97 175.246 174.799 0.447 1
2 1239 . 2 1 1 A 103 103 SER N N 98 116.992 109.098 7.894 1
2 1240 . 2 1 1 A 103 103 SER H H 98 8.167 9.072 -0.905 1
2 1241 . 2 1 1 A 103 103 SER CA C 98 57.883 59.264 -1.381 1
2 1242 . 2 1 1 A 103 103 SER HA H 98 4.317 4.251 0.066 1
2 1243 . 2 1 1 A 103 103 SER CB C 98 63.301 60.764 2.537 1
2 1246 . 2 1 1 A 103 103 SER C C 98 173.244 173.001 0.243 1
2 1247 . 2 1 1 A 104 104 PHE N N 99 122.000 120.860 1.140 1
2 1248 . 2 1 1 A 104 104 PHE H H 99 8.170 8.118 0.052 1
2 1249 . 2 1 1 A 104 104 PHE CA C 99 57.236 55.982 1.254 1
2 1250 . 2 1 1 A 104 104 PHE HA H 99 4.529 4.648 -0.119 1
2 1251 . 2 1 1 A 104 104 PHE CB C 99 38.997 38.011 0.986 1
2 1257 . 2 1 1 A 104 104 PHE C C 99 174.632 174.671 -0.039 1
2 1258 . 2 1 1 A 105 105 ARG N N 100 124.796 123.249 1.547 1
2 1259 . 2 1 1 A 105 105 ARG H H 100 8.101 7.641 0.460 1
2 1260 . 2 1 1 A 105 105 ARG CA C 100 52.969 54.804 -1.835 1
2 1261 . 2 1 1 A 105 105 ARG HA H 100 4.516 4.403 0.113 1
2 1262 . 2 1 1 A 105 105 ARG CB C 100 30.069 29.523 0.546 1
2 1271 . 2 1 1 A 105 105 ARG C C 100 172.924 174.277 -1.353 1
2 1273 . 2 1 1 A 106 106 PRO CA C 101 62.673 62.248 0.425 1
2 1274 . 2 1 1 A 106 106 PRO HA H 101 4.351 4.530 -0.179 1
2 1275 . 2 1 1 A 106 106 PRO CB C 101 31.726 33.330 -1.604 1
2 1283 . 2 1 1 A 106 106 PRO C C 101 176.395 176.459 -0.064 1
2 1284 . 2 1 1 A 107 107 ILE N N 102 121.380 120.650 0.730 1
2 1285 . 2 1 1 A 107 107 ILE H H 102 8.350 8.617 -0.267 1
2 1286 . 2 1 1 A 107 107 ILE CA C 102 60.940 60.470 0.470 1
2 1287 . 2 1 1 A 107 107 ILE HA H 102 4.039 4.538 -0.499 1
2 1288 . 2 1 1 A 107 107 ILE CB C 102 38.204 38.426 -0.222 1
2 1301 . 2 1 1 A 107 107 ILE C C 102 175.990 175.326 0.664 1
2 1302 . 2 1 1 A 108 108 GLU N N 103 124.836 118.219 6.617 1
2 1303 . 2 1 1 A 108 108 GLU H H 103 8.578 8.037 0.541 1
2 1304 . 2 1 1 A 108 108 GLU CA C 103 55.883 57.532 -1.649 1
2 1305 . 2 1 1 A 108 108 GLU HA H 103 4.280 3.894 0.386 1
2 1306 . 2 1 1 A 108 108 GLU CB C 103 29.902 27.476 2.426 1
2 1312 . 2 1 1 A 108 108 GLU C C 103 175.670 175.125 0.545 1
2 1313 . 2 1 1 A 109 109 GLU N N 104 122.847 119.261 3.586 1
2 1314 . 2 1 1 A 109 109 GLU H H 104 8.459 7.883 0.576 1
2 1315 . 2 1 1 A 109 109 GLU CA C 104 55.902 55.509 0.393 1
2 1316 . 2 1 1 A 109 109 GLU HA H 104 4.267 4.294 -0.027 1
2 1317 . 2 1 1 A 109 109 GLU CB C 104 29.985 28.835 1.150 1
2 1322 . 2 1 1 A 109 109 GLU C C 104 174.661 176.672 -2.011 1
2 3 . 3 1 1 A 2 2 SER N N -4 115.528 114.043 1.485 1
2 4 . 3 1 1 A 2 2 SER H H -4 8.751 7.657 1.094 1
2 5 . 3 1 1 A 2 2 SER CA C -4 57.687 59.303 -1.616 1
2 6 . 3 1 1 A 2 2 SER HA H -4 4.451 4.821 -0.370 1
2 7 . 3 1 1 A 2 2 SER CB C -4 63.389 65.116 -1.727 1
2 8 . 3 1 1 A 2 2 SER C C -4 173.913 173.422 0.491 1
2 9 . 3 1 1 A 3 3 HIS N N -3 120.998 114.382 6.616 1
2 10 . 3 1 1 A 3 3 HIS H H -3 8.769 7.803 0.966 1
2 11 . 3 1 1 A 3 3 HIS CA C -3 55.010 53.634 1.376 1
2 12 . 3 1 1 A 3 3 HIS HA H -3 4.707 5.083 -0.376 1
2 13 . 3 1 1 A 3 3 HIS CB C -3 28.916 30.659 -1.743 1
2 16 . 3 1 1 A 3 3 HIS C C -3 174.207 173.269 0.938 1
2 17 . 3 1 1 A 4 4 MET N N -2 122.227 121.692 0.535 1
2 18 . 3 1 1 A 4 4 MET H H -2 8.518 8.815 -0.297 1
2 19 . 3 1 1 A 4 4 MET CA C -2 55.014 55.993 -0.979 1
2 20 . 3 1 1 A 4 4 MET HA H -2 4.418 4.581 -0.163 1
2 21 . 3 1 1 A 4 4 MET CB C -2 32.678 33.971 -1.293 1
2 31 . 3 1 1 A 4 4 MET C C -2 175.481 176.315 -0.834 1
2 49 . 3 1 1 A 7 7 ALA N N 2 124.549 123.480 1.069 1
2 50 . 3 1 1 A 7 7 ALA H H 2 8.453 8.221 0.232 1
2 51 . 3 1 1 A 7 7 ALA CA C 2 53.221 54.615 -1.394 1
2 52 . 3 1 1 A 7 7 ALA HA H 2 4.194 4.115 0.079 1
2 56 . 3 1 1 A 7 7 ALA CB C 2 18.431 18.126 0.305 1
2 57 . 3 1 1 A 7 7 ALA C C 2 178.162 179.563 -1.401 1
2 58 . 3 1 1 A 8 8 ASP N N 3 118.618 118.497 0.121 1
2 59 . 3 1 1 A 8 8 ASP H H 3 8.064 7.865 0.199 1
2 60 . 3 1 1 A 8 8 ASP CA C 3 54.124 57.306 -3.182 1
2 61 . 3 1 1 A 8 8 ASP HA H 3 4.539 4.508 0.031 1
2 62 . 3 1 1 A 8 8 ASP CB C 3 40.341 40.883 -0.542 1
2 65 . 3 1 1 A 8 8 ASP C C 3 176.694 178.447 -1.753 1
2 66 . 3 1 1 A 9 9 LEU N N 4 123.427 121.384 2.043 1
2 67 . 3 1 1 A 9 9 LEU H H 4 8.202 7.777 0.425 1
2 68 . 3 1 1 A 9 9 LEU CA C 4 57.495 57.974 -0.479 1
2 69 . 3 1 1 A 9 9 LEU HA H 4 4.086 4.079 0.007 1
2 70 . 3 1 1 A 9 9 LEU CB C 4 41.905 41.682 0.223 1
2 82 . 3 1 1 A 9 9 LEU C C 4 178.839 178.739 0.100 1
2 83 . 3 1 1 A 10 10 VAL N N 5 119.385 119.179 0.206 1
2 84 . 3 1 1 A 10 10 VAL H H 5 8.186 8.367 -0.181 1
2 85 . 3 1 1 A 10 10 VAL CA C 5 66.585 66.683 -0.098 1
2 86 . 3 1 1 A 10 10 VAL HA H 5 3.420 3.540 -0.120 1
2 87 . 3 1 1 A 10 10 VAL CB C 5 31.177 31.593 -0.416 1
2 97 . 3 1 1 A 10 10 VAL C C 5 177.439 178.154 -0.715 1
2 98 . 3 1 1 A 11 11 SER N N 6 115.027 115.336 -0.309 1
2 99 . 3 1 1 A 11 11 SER H H 6 8.252 8.082 0.170 1
2 100 . 3 1 1 A 11 11 SER CA C 6 61.152 61.699 -0.547 1
2 101 . 3 1 1 A 11 11 SER HA H 6 4.055 4.067 -0.012 1
2 102 . 3 1 1 A 11 11 SER CB C 6 62.161 62.834 -0.673 1
2 105 . 3 1 1 A 11 11 SER C C 6 176.036 177.378 -1.342 1
2 106 . 3 1 1 A 12 12 SER N N 7 115.144 116.138 -0.994 1
2 107 . 3 1 1 A 12 12 SER H H 7 8.053 8.134 -0.081 1
2 108 . 3 1 1 A 12 12 SER CA C 7 60.168 61.489 -1.321 1
2 109 . 3 1 1 A 12 12 SER HA H 7 4.284 4.145 0.139 1
2 110 . 3 1 1 A 12 12 SER CB C 7 62.706 62.913 -0.207 1
2 113 . 3 1 1 A 12 12 SER C C 7 176.540 176.681 -0.141 1
2 114 . 3 1 1 A 13 13 CYS N N 8 118.211 119.368 -1.157 1
2 115 . 3 1 1 A 13 13 CYS H H 8 7.919 8.368 -0.449 1
2 116 . 3 1 1 A 13 13 CYS CA C 8 63.651 64.202 -0.551 1
2 117 . 3 1 1 A 13 13 CYS HA H 8 4.026 4.147 -0.121 1
2 118 . 3 1 1 A 13 13 CYS CB C 8 26.641 27.133 -0.492 1
2 121 . 3 1 1 A 13 13 CYS C C 8 175.645 177.124 -1.479 1
2 122 . 3 1 1 A 14 14 LYS N N 9 120.074 121.314 -1.240 1
2 123 . 3 1 1 A 14 14 LYS H H 9 8.632 8.054 0.578 1
2 124 . 3 1 1 A 14 14 LYS CA C 9 60.441 59.614 0.827 1
2 125 . 3 1 1 A 14 14 LYS HA H 9 3.672 4.003 -0.331 1
2 126 . 3 1 1 A 14 14 LYS CB C 9 31.685 32.079 -0.394 1
2 138 . 3 1 1 A 14 14 LYS C C 9 177.615 177.851 -0.236 1
2 139 . 3 1 1 A 15 15 ASP N N 10 117.613 119.656 -2.043 1
2 140 . 3 1 1 A 15 15 ASP H H 10 7.732 8.177 -0.445 1
2 141 . 3 1 1 A 15 15 ASP CA C 10 56.175 57.394 -1.219 1
2 142 . 3 1 1 A 15 15 ASP HA H 10 4.307 4.271 0.036 1
2 143 . 3 1 1 A 15 15 ASP CB C 10 40.056 41.778 -1.722 1
2 146 . 3 1 1 A 15 15 ASP C C 10 177.650 178.595 -0.945 1
2 147 . 3 1 1 A 16 16 LYS N N 11 117.878 118.756 -0.878 1
2 148 . 3 1 1 A 16 16 LYS H H 11 7.254 7.929 -0.675 1
2 149 . 3 1 1 A 16 16 LYS CA C 11 58.962 59.271 -0.309 1
2 150 . 3 1 1 A 16 16 LYS HA H 11 3.645 3.764 -0.119 1
2 151 . 3 1 1 A 16 16 LYS CB C 11 32.951 32.247 0.704 1
2 160 . 3 1 1 A 16 16 LYS C C 11 177.263 178.269 -1.006 1
2 161 . 3 1 1 A 17 17 LEU N N 12 115.652 121.819 -6.167 1
2 162 . 3 1 1 A 17 17 LEU H H 12 8.138 8.547 -0.409 1
2 163 . 3 1 1 A 17 17 LEU CA C 12 56.726 58.058 -1.332 1
2 164 . 3 1 1 A 17 17 LEU HA H 12 3.579 4.222 -0.643 1
2 165 . 3 1 1 A 17 17 LEU CB C 12 41.959 41.276 0.683 1
2 176 . 3 1 1 A 17 17 LEU C C 12 177.485 178.384 -0.899 1
2 177 . 3 1 1 A 18 18 ALA N N 13 116.044 120.607 -4.563 1
2 178 . 3 1 1 A 18 18 ALA H H 13 7.080 8.512 -1.432 1
2 179 . 3 1 1 A 18 18 ALA CA C 13 53.389 54.336 -0.947 1
2 180 . 3 1 1 A 18 18 ALA HA H 13 3.963 4.120 -0.157 1
2 184 . 3 1 1 A 18 18 ALA CB C 13 18.161 18.862 -0.701 1
2 185 . 3 1 1 A 18 18 ALA C C 13 178.207 179.802 -1.595 1
2 186 . 3 1 1 A 19 19 TYR N N 14 115.556 120.037 -4.481 1
2 187 . 3 1 1 A 19 19 TYR H H 14 7.675 7.566 0.109 1
2 188 . 3 1 1 A 19 19 TYR CA C 14 58.647 59.755 -1.108 1
2 189 . 3 1 1 A 19 19 TYR HA H 14 4.304 4.091 0.213 1
2 190 . 3 1 1 A 19 19 TYR CB C 14 38.609 38.886 -0.277 1
2 199 . 3 1 1 A 19 19 TYR C C 14 175.911 176.689 -0.778 1
2 200 . 3 1 1 A 20 20 PHE N N 15 118.275 114.812 3.463 1
2 201 . 3 1 1 A 20 20 PHE H H 15 7.406 7.677 -0.271 1
2 202 . 3 1 1 A 20 20 PHE CA C 15 56.615 57.165 -0.550 1
2 203 . 3 1 1 A 20 20 PHE HA H 15 4.649 4.361 0.288 1
2 204 . 3 1 1 A 20 20 PHE CB C 15 38.750 38.886 -0.136 1
2 215 . 3 1 1 A 20 20 PHE C C 15 176.160 175.500 0.660 1
2 216 . 3 1 1 A 21 21 ARG N N 16 119.140 116.591 2.549 1
2 217 . 3 1 1 A 21 21 ARG H H 16 8.714 7.876 0.838 1
2 218 . 3 1 1 A 21 21 ARG CA C 16 54.349 58.235 -3.886 1
2 219 . 3 1 1 A 21 21 ARG HA H 16 4.751 4.025 0.726 1
2 220 . 3 1 1 A 21 21 ARG CB C 16 30.097 28.900 1.197 1
2 236 . 3 1 1 A 21 21 ARG C C 16 177.095 177.285 -0.190 1
2 237 . 3 1 1 A 22 22 ILE N N 17 120.734 122.104 -1.370 1
2 238 . 3 1 1 A 22 22 ILE H H 17 8.708 8.658 0.050 1
2 239 . 3 1 1 A 22 22 ILE CA C 17 65.145 64.758 0.387 1
2 240 . 3 1 1 A 22 22 ILE HA H 17 3.720 3.825 -0.105 1
2 241 . 3 1 1 A 22 22 ILE CB C 17 36.857 37.145 -0.288 1
2 254 . 3 1 1 A 22 22 ILE C C 17 176.745 177.894 -1.149 1
2 255 . 3 1 1 A 23 23 LYS N N 18 118.184 121.721 -3.537 1
2 256 . 3 1 1 A 23 23 LYS H H 18 8.267 8.283 -0.016 1
2 257 . 3 1 1 A 23 23 LYS CA C 18 59.829 59.885 -0.056 1
2 258 . 3 1 1 A 23 23 LYS HA H 18 3.897 3.895 0.002 1
2 259 . 3 1 1 A 23 23 LYS CB C 18 32.268 32.258 0.010 1
2 271 . 3 1 1 A 23 23 LYS C C 18 178.159 178.662 -0.503 1
2 272 . 3 1 1 A 24 24 GLU N N 19 117.654 119.341 -1.687 1
2 273 . 3 1 1 A 24 24 GLU H H 19 7.198 8.163 -0.965 1
2 274 . 3 1 1 A 24 24 GLU CA C 19 60.612 59.170 1.442 1
2 275 . 3 1 1 A 24 24 GLU HA H 19 4.030 4.033 -0.003 1
2 276 . 3 1 1 A 24 24 GLU CB C 19 28.859 29.577 -0.718 1
2 282 . 3 1 1 A 24 24 GLU C C 19 178.521 179.090 -0.569 1
2 283 . 3 1 1 A 25 25 LEU N N 20 119.236 120.338 -1.102 1
2 284 . 3 1 1 A 25 25 LEU H H 20 7.980 8.294 -0.314 1
2 285 . 3 1 1 A 25 25 LEU CA C 20 57.676 58.030 -0.354 1
2 286 . 3 1 1 A 25 25 LEU HA H 20 3.904 3.987 -0.083 1
2 287 . 3 1 1 A 25 25 LEU CB C 20 42.218 41.727 0.491 1
2 294 . 3 1 1 A 25 25 LEU C C 20 177.990 178.971 -0.981 1
2 295 . 3 1 1 A 26 26 LYS N N 21 117.457 119.868 -2.411 1
2 296 . 3 1 1 A 26 26 LYS H H 21 8.770 8.574 0.196 1
2 297 . 3 1 1 A 26 26 LYS CA C 21 60.660 60.099 0.561 1
2 298 . 3 1 1 A 26 26 LYS HA H 21 3.787 3.857 -0.070 1
2 299 . 3 1 1 A 26 26 LYS CB C 21 31.876 32.285 -0.409 1
2 300 . 3 1 1 A 26 26 LYS C C 21 177.625 178.746 -1.121 1
2 301 . 3 1 1 A 27 27 ASP N N 22 119.023 119.610 -0.587 1
2 302 . 3 1 1 A 27 27 ASP H H 22 7.671 7.965 -0.294 1
2 303 . 3 1 1 A 27 27 ASP CA C 22 56.974 57.034 -0.060 1
2 304 . 3 1 1 A 27 27 ASP HA H 22 4.392 4.456 -0.064 1
2 305 . 3 1 1 A 27 27 ASP CB C 22 40.250 40.771 -0.521 1
2 308 . 3 1 1 A 27 27 ASP C C 22 180.796 178.770 2.026 1
2 309 . 3 1 1 A 28 28 ILE N N 23 119.318 120.162 -0.844 1
2 310 . 3 1 1 A 28 28 ILE H H 23 8.039 7.801 0.238 1
2 311 . 3 1 1 A 28 28 ILE CA C 23 65.365 65.696 -0.331 1
2 312 . 3 1 1 A 28 28 ILE HA H 23 3.587 3.633 -0.046 1
2 313 . 3 1 1 A 28 28 ILE CB C 23 37.408 38.213 -0.805 1
2 326 . 3 1 1 A 28 28 ILE C C 23 177.265 178.352 -1.087 1
2 327 . 3 1 1 A 29 29 LEU N N 24 120.356 119.119 1.237 1
2 328 . 3 1 1 A 29 29 LEU H H 24 8.220 8.334 -0.114 1
2 329 . 3 1 1 A 29 29 LEU CA C 24 58.562 58.058 0.504 1
2 330 . 3 1 1 A 29 29 LEU HA H 24 3.806 3.973 -0.167 1
2 331 . 3 1 1 A 29 29 LEU CB C 24 39.477 41.456 -1.979 1
2 339 . 3 1 1 A 29 29 LEU C C 24 178.572 178.669 -0.097 1
2 340 . 3 1 1 A 30 30 ASN N N 25 117.446 117.574 -0.128 1
2 341 . 3 1 1 A 30 30 ASN H H 25 8.688 8.493 0.195 1
2 342 . 3 1 1 A 30 30 ASN CA C 25 56.092 57.103 -1.011 1
2 343 . 3 1 1 A 30 30 ASN HA H 25 4.493 4.350 0.143 1
2 344 . 3 1 1 A 30 30 ASN CB C 25 38.809 38.822 -0.013 1
2 351 . 3 1 1 A 30 30 ASN C C 25 178.884 177.724 1.160 1
2 352 . 3 1 1 A 31 31 GLN N N 26 119.946 117.596 2.350 1
2 353 . 3 1 1 A 31 31 GLN H H 26 8.184 7.770 0.414 1
2 354 . 3 1 1 A 31 31 GLN CA C 26 58.786 58.658 0.128 1
2 355 . 3 1 1 A 31 31 GLN HA H 26 4.041 4.026 0.015 1
2 356 . 3 1 1 A 31 31 GLN CB C 26 29.089 28.387 0.702 1
2 366 . 3 1 1 A 31 31 GLN C C 26 177.656 179.210 -1.554 1
2 367 . 3 1 1 A 32 32 LEU N N 27 116.979 117.695 -0.716 1
2 368 . 3 1 1 A 32 32 LEU H H 27 7.893 7.624 0.269 1
2 369 . 3 1 1 A 32 32 LEU CA C 27 54.545 56.133 -1.588 1
2 370 . 3 1 1 A 32 32 LEU HA H 27 4.227 4.126 0.101 1
2 371 . 3 1 1 A 32 32 LEU CB C 27 42.063 42.468 -0.405 1
2 382 . 3 1 1 A 32 32 LEU C C 27 175.733 177.277 -1.544 1
2 383 . 3 1 1 A 33 33 GLY N N 28 108.299 106.596 1.703 1
2 384 . 3 1 1 A 33 33 GLY H H 28 7.834 8.142 -0.308 1
2 385 . 3 1 1 A 33 33 GLY CA C 28 45.707 46.329 -0.622 1
2 386 . 3 1 1 A 33 33 GLY HA2 H 28 3.952 3.962 -0.010 1
2 387 . 3 1 1 A 33 33 GLY HA3 H 28 3.952 3.965 -0.013 1
2 388 . 3 1 1 A 33 33 GLY C C 28 174.317 174.547 -0.230 1
2 389 . 3 1 1 A 34 34 LEU N N 29 120.833 121.293 -0.460 1
2 390 . 3 1 1 A 34 34 LEU H H 29 7.986 7.689 0.297 1
2 391 . 3 1 1 A 34 34 LEU CA C 29 51.558 52.299 -0.741 1
2 392 . 3 1 1 A 34 34 LEU HA H 29 4.744 4.785 -0.041 1
2 393 . 3 1 1 A 34 34 LEU CB C 29 43.525 43.108 0.417 1
2 405 . 3 1 1 A 35 35 PRO CA C 30 62.707 62.436 0.271 1
2 406 . 3 1 1 A 35 35 PRO HA H 30 4.351 4.636 -0.285 1
2 407 . 3 1 1 A 35 35 PRO CB C 30 31.919 29.398 2.521 1
2 415 . 3 1 1 A 35 35 PRO C C 30 177.488 175.533 1.955 1
2 416 . 3 1 1 A 36 36 LYS N N 31 117.590 123.843 -6.253 1
2 417 . 3 1 1 A 36 36 LYS H H 31 8.380 8.350 0.030 1
2 418 . 3 1 1 A 36 36 LYS CA C 31 55.660 55.812 -0.152 1
2 419 . 3 1 1 A 36 36 LYS HA H 31 4.286 4.531 -0.245 1
2 420 . 3 1 1 A 36 36 LYS CB C 31 33.239 32.728 0.511 1
2 430 . 3 1 1 A 36 36 LYS C C 31 174.384 174.839 -0.455 1
2 431 . 3 1 1 A 37 37 GLN N N 32 118.260 121.645 -3.385 1
2 432 . 3 1 1 A 37 37 GLN H H 32 7.698 8.123 -0.425 1
2 433 . 3 1 1 A 37 37 GLN CA C 32 55.550 53.748 1.802 1
2 434 . 3 1 1 A 37 37 GLN HA H 32 4.376 4.641 -0.265 1
2 435 . 3 1 1 A 37 37 GLN CB C 32 28.221 31.360 -3.139 1
2 445 . 3 1 1 A 37 37 GLN C C 32 175.222 175.804 -0.582 1
2 446 . 3 1 1 A 38 38 GLY N N 33 109.855 107.552 2.303 1
2 447 . 3 1 1 A 38 38 GLY H H 33 8.449 8.322 0.127 1
2 448 . 3 1 1 A 38 38 GLY CA C 33 43.235 44.436 -1.201 1
2 449 . 3 1 1 A 38 38 GLY HA2 H 33 4.566 4.103 0.463 1
2 450 . 3 1 1 A 38 38 GLY HA3 H 33 3.789 4.104 -0.315 1
2 451 . 3 1 1 A 38 38 GLY C C 33 173.603 173.540 0.063 1
2 452 . 3 1 1 A 39 39 LYS N N 34 117.627 122.276 -4.649 1
2 453 . 3 1 1 A 39 39 LYS H H 34 8.649 8.234 0.415 1
2 454 . 3 1 1 A 39 39 LYS CA C 34 54.563 54.744 -0.181 1
2 455 . 3 1 1 A 39 39 LYS HA H 34 4.394 4.610 -0.216 1
2 456 . 3 1 1 A 39 39 LYS CB C 34 32.892 34.381 -1.489 1
2 468 . 3 1 1 A 39 39 LYS C C 34 176.803 178.303 -1.500 1
2 469 . 3 1 1 A 40 40 LYS N N 35 121.705 123.877 -2.172 1
2 470 . 3 1 1 A 40 40 LYS H H 35 8.920 8.975 -0.055 1
2 471 . 3 1 1 A 40 40 LYS CA C 35 61.559 59.556 2.003 1
2 472 . 3 1 1 A 40 40 LYS HA H 35 3.597 3.961 -0.364 1
2 473 . 3 1 1 A 40 40 LYS CB C 35 31.953 32.157 -0.204 1
2 485 . 3 1 1 A 40 40 LYS C C 35 177.362 177.899 -0.537 1
2 486 . 3 1 1 A 41 41 GLN N N 36 114.637 117.976 -3.339 1
2 487 . 3 1 1 A 41 41 GLN H H 36 9.017 7.789 1.228 1
2 488 . 3 1 1 A 41 41 GLN CA C 36 57.638 58.762 -1.124 1
2 489 . 3 1 1 A 41 41 GLN HA H 36 3.719 4.018 -0.299 1
2 490 . 3 1 1 A 41 41 GLN CB C 36 27.865 28.317 -0.452 1
2 500 . 3 1 1 A 41 41 GLN C C 36 176.975 178.204 -1.229 1
2 501 . 3 1 1 A 42 42 ASP N N 37 115.984 120.503 -4.519 1
2 502 . 3 1 1 A 42 42 ASP H H 37 7.049 8.127 -1.078 1
2 503 . 3 1 1 A 42 42 ASP CA C 37 56.424 57.428 -1.004 1
2 504 . 3 1 1 A 42 42 ASP HA H 37 4.303 4.348 -0.045 1
2 505 . 3 1 1 A 42 42 ASP CB C 37 39.955 40.869 -0.914 1
2 508 . 3 1 1 A 42 42 ASP C C 37 178.454 178.983 -0.529 1
2 509 . 3 1 1 A 43 43 LEU N N 38 119.074 120.412 -1.338 1
2 510 . 3 1 1 A 43 43 LEU H H 38 7.725 8.247 -0.522 1
2 511 . 3 1 1 A 43 43 LEU CA C 38 57.716 57.999 -0.283 1
2 512 . 3 1 1 A 43 43 LEU HA H 38 3.794 3.992 -0.198 1
2 513 . 3 1 1 A 43 43 LEU CB C 38 40.211 42.370 -2.159 1
2 526 . 3 1 1 A 43 43 LEU C C 38 177.872 178.971 -1.099 1
2 527 . 3 1 1 A 44 44 ILE N N 39 118.343 118.619 -0.276 1
2 528 . 3 1 1 A 44 44 ILE H H 39 7.867 8.143 -0.276 1
2 529 . 3 1 1 A 44 44 ILE CA C 39 66.211 65.581 0.630 1
2 530 . 3 1 1 A 44 44 ILE HA H 39 3.319 3.527 -0.208 1
2 531 . 3 1 1 A 44 44 ILE CB C 39 37.985 37.759 0.226 1
2 541 . 3 1 1 A 44 44 ILE C C 39 177.711 177.852 -0.141 1
2 542 . 3 1 1 A 45 45 ASP N N 40 118.535 120.450 -1.915 1
2 543 . 3 1 1 A 45 45 ASP H H 40 8.503 8.253 0.250 1
2 544 . 3 1 1 A 45 45 ASP CA C 40 56.817 57.366 -0.549 1
2 545 . 3 1 1 A 45 45 ASP HA H 40 4.256 4.447 -0.191 1
2 546 . 3 1 1 A 45 45 ASP CB C 40 39.815 41.665 -1.850 1
2 549 . 3 1 1 A 45 45 ASP C C 40 178.464 178.962 -0.498 1
2 550 . 3 1 1 A 46 46 ARG N N 41 120.910 119.660 1.250 1
2 551 . 3 1 1 A 46 46 ARG H H 41 7.717 7.882 -0.165 1
2 552 . 3 1 1 A 46 46 ARG CA C 41 59.054 59.715 -0.661 1
2 553 . 3 1 1 A 46 46 ARG HA H 41 3.993 4.054 -0.061 1
2 554 . 3 1 1 A 46 46 ARG CB C 41 29.778 30.105 -0.327 1
2 563 . 3 1 1 A 46 46 ARG C C 41 177.565 178.208 -0.643 1
2 564 . 3 1 1 A 47 47 VAL N N 42 117.438 119.434 -1.996 1
2 565 . 3 1 1 A 47 47 VAL H H 42 7.445 7.884 -0.439 1
2 566 . 3 1 1 A 47 47 VAL CA C 42 66.095 66.361 -0.266 1
2 567 . 3 1 1 A 47 47 VAL HA H 42 3.446 3.688 -0.242 1
2 568 . 3 1 1 A 47 47 VAL CB C 42 31.113 31.806 -0.693 1
2 578 . 3 1 1 A 47 47 VAL C C 42 177.710 178.379 -0.669 1
2 579 . 3 1 1 A 48 48 LEU N N 43 117.085 117.659 -0.574 1
2 580 . 3 1 1 A 48 48 LEU H H 43 8.466 8.040 0.426 1
2 581 . 3 1 1 A 48 48 LEU CA C 43 57.406 57.720 -0.314 1
2 582 . 3 1 1 A 48 48 LEU HA H 43 3.851 4.008 -0.157 1
2 583 . 3 1 1 A 48 48 LEU CB C 43 40.779 41.084 -0.305 1
2 596 . 3 1 1 A 48 48 LEU C C 43 179.581 179.846 -0.265 1
2 597 . 3 1 1 A 49 49 ALA N N 44 120.480 122.007 -1.527 1
2 598 . 3 1 1 A 49 49 ALA H H 44 7.952 8.020 -0.068 1
2 599 . 3 1 1 A 49 49 ALA CA C 44 53.998 54.954 -0.956 1
2 600 . 3 1 1 A 49 49 ALA HA H 44 4.104 4.101 0.003 1
2 604 . 3 1 1 A 49 49 ALA CB C 44 17.685 18.340 -0.655 1
2 605 . 3 1 1 A 49 49 ALA C C 44 178.926 180.431 -1.505 1
2 606 . 3 1 1 A 50 50 LEU N N 45 115.306 119.770 -4.464 1
2 607 . 3 1 1 A 50 50 LEU H H 45 7.428 7.930 -0.502 1
2 608 . 3 1 1 A 50 50 LEU CA C 45 55.650 57.735 -2.085 1
2 609 . 3 1 1 A 50 50 LEU HA H 45 4.206 4.070 0.136 1
2 610 . 3 1 1 A 50 50 LEU CB C 45 41.937 42.023 -0.086 1
2 623 . 3 1 1 A 50 50 LEU C C 45 177.840 179.082 -1.242 1
2 624 . 3 1 1 A 51 51 LEU N N 46 115.880 117.322 -1.442 1
2 625 . 3 1 1 A 51 51 LEU H H 46 7.642 8.001 -0.359 1
2 626 . 3 1 1 A 51 51 LEU CA C 46 54.861 56.577 -1.716 1
2 627 . 3 1 1 A 51 51 LEU HA H 46 4.260 4.166 0.094 1
2 628 . 3 1 1 A 51 51 LEU CB C 46 42.228 41.779 0.449 1
2 638 . 3 1 1 A 51 51 LEU C C 46 176.015 177.662 -1.647 1
2 639 . 3 1 1 A 52 52 THR N N 47 109.201 112.763 -3.562 1
2 640 . 3 1 1 A 52 52 THR H H 47 7.515 7.586 -0.071 1
2 641 . 3 1 1 A 52 52 THR CA C 47 60.972 64.551 -3.579 1
2 642 . 3 1 1 A 52 52 THR HA H 47 4.345 4.322 0.023 1
2 643 . 3 1 1 A 52 52 THR CB C 47 69.620 69.275 0.345 1
2 649 . 3 1 1 A 52 52 THR C C 47 173.733 175.364 -1.631 1
2 650 . 3 1 1 A 53 53 ASP N N 48 122.188 119.756 2.432 1
2 651 . 3 1 1 A 53 53 ASP H H 48 8.280 8.397 -0.117 1
2 652 . 3 1 1 A 53 53 ASP CA C 48 54.205 56.587 -2.382 1
2 653 . 3 1 1 A 53 53 ASP HA H 48 4.686 4.486 0.200 1
2 654 . 3 1 1 A 53 53 ASP CB C 48 40.766 40.589 0.177 1
2 658 . 3 1 1 A 53 53 ASP C C 48 176.000 176.697 -0.697 1
2 659 . 3 1 1 A 54 54 GLU N N 49 121.966 118.606 3.360 1
2 660 . 3 1 1 A 54 54 GLU H H 49 8.589 7.768 0.821 1
2 661 . 3 1 1 A 54 54 GLU CA C 49 56.448 55.553 0.895 1
2 662 . 3 1 1 A 54 54 GLU HA H 49 4.234 4.679 -0.445 1
2 663 . 3 1 1 A 54 54 GLU CB C 49 29.642 30.759 -1.117 1
2 669 . 3 1 1 A 54 54 GLU C C 49 176.522 176.808 -0.286 1
2 670 . 3 1 1 A 55 55 GLN N N 50 120.727 119.572 1.155 1
2 671 . 3 1 1 A 55 55 GLN H H 50 8.642 7.961 0.681 1
2 672 . 3 1 1 A 55 55 GLN CA C 50 56.251 57.787 -1.536 1
2 673 . 3 1 1 A 55 55 GLN HA H 50 4.217 4.082 0.135 1
2 674 . 3 1 1 A 55 55 GLN CB C 50 28.555 28.046 0.509 1
2 684 . 3 1 1 A 55 55 GLN C C 50 176.519 176.681 -0.162 1
2 685 . 3 1 1 A 56 56 GLY N N 51 109.357 107.843 1.514 1
2 686 . 3 1 1 A 56 56 GLY H H 51 8.519 8.052 0.467 1
2 687 . 3 1 1 A 56 56 GLY CA C 51 45.276 45.565 -0.289 1
2 688 . 3 1 1 A 56 56 GLY HA2 H 51 3.950 4.051 -0.101 1
2 689 . 3 1 1 A 56 56 GLY HA3 H 51 3.809 4.071 -0.262 1
2 690 . 3 1 1 A 56 56 GLY C C 51 174.146 174.427 -0.281 1
2 691 . 3 1 1 A 57 57 GLN N N 52 119.207 118.310 0.897 1
2 692 . 3 1 1 A 57 57 GLN H H 52 8.263 7.537 0.726 1
2 693 . 3 1 1 A 57 57 GLN CA C 52 55.572 55.846 -0.274 1
2 694 . 3 1 1 A 57 57 GLN HA H 52 4.203 4.455 -0.252 1
2 695 . 3 1 1 A 57 57 GLN CB C 52 28.656 28.884 -0.228 1
2 705 . 3 1 1 A 57 57 GLN C C 52 175.872 176.893 -1.021 1
2 706 . 3 1 1 A 58 58 ARG N N 53 120.525 117.366 3.159 1
2 707 . 3 1 1 A 58 58 ARG H H 53 8.279 8.069 0.210 1
2 708 . 3 1 1 A 58 58 ARG CA C 53 55.883 57.265 -1.382 1
2 709 . 3 1 1 A 58 58 ARG HA H 53 4.176 4.238 -0.062 1
2 710 . 3 1 1 A 58 58 ARG CB C 53 30.031 29.916 0.115 1
2 721 . 3 1 1 A 58 58 ARG C C 53 175.820 176.107 -0.287 1
2 722 . 3 1 1 A 59 59 HIS N N 54 118.905 120.951 -2.046 1
2 723 . 3 1 1 A 59 59 HIS H H 54 8.398 7.441 0.957 1
2 724 . 3 1 1 A 59 59 HIS CA C 54 54.908 57.157 -2.249 1
2 725 . 3 1 1 A 59 59 HIS HA H 54 4.548 4.053 0.495 1
2 726 . 3 1 1 A 59 59 HIS CB C 54 28.953 30.275 -1.322 1
2 729 . 3 1 1 A 59 59 HIS C C 54 174.136 174.604 -0.468 1
2 730 . 3 1 1 A 60 60 HIS N N 55 119.527 122.425 -2.898 1
2 731 . 3 1 1 A 60 60 HIS H H 55 8.493 8.151 0.342 1
2 732 . 3 1 1 A 60 60 HIS CA C 55 55.274 55.904 -0.630 1
2 733 . 3 1 1 A 60 60 HIS HA H 55 4.552 3.668 0.884 1
2 734 . 3 1 1 A 60 60 HIS CB C 55 28.913 29.790 -0.877 1
2 737 . 3 1 1 A 60 60 HIS C C 55 174.595 174.999 -0.404 1
2 738 . 3 1 1 A 61 61 GLY N N 56 110.215 109.423 0.792 1
2 739 . 3 1 1 A 61 61 GLY H H 56 8.604 7.654 0.950 1
2 740 . 3 1 1 A 61 61 GLY CA C 56 44.977 45.430 -0.453 1
2 741 . 3 1 1 A 61 61 GLY HA2 H 56 3.956 3.619 0.337 1
2 742 . 3 1 1 A 61 61 GLY HA3 H 56 3.831 3.665 0.166 1
2 743 . 3 1 1 A 61 61 GLY C C 56 173.752 174.445 -0.693 1
2 744 . 3 1 1 A 62 62 TRP N N 57 120.700 118.301 2.399 1
2 745 . 3 1 1 A 62 62 TRP H H 57 8.175 7.308 0.867 1
2 746 . 3 1 1 A 62 62 TRP CA C 57 56.929 58.188 -1.259 1
2 747 . 3 1 1 A 62 62 TRP HA H 57 4.663 4.726 -0.063 1
2 748 . 3 1 1 A 62 62 TRP CB C 57 29.142 30.993 -1.851 1
2 763 . 3 1 1 A 62 62 TRP C C 57 176.442 177.452 -1.010 1
2 764 . 3 1 1 A 63 63 GLY N N 58 110.195 108.516 1.679 1
2 765 . 3 1 1 A 63 63 GLY H H 58 8.452 8.634 -0.182 1
2 766 . 3 1 1 A 63 63 GLY CA C 58 45.052 45.789 -0.737 1
2 767 . 3 1 1 A 63 63 GLY HA2 H 58 3.925 4.034 -0.109 1
2 768 . 3 1 1 A 63 63 GLY HA3 H 58 3.833 4.085 -0.252 1
2 769 . 3 1 1 A 63 63 GLY C C 58 173.738 173.920 -0.182 1
2 770 . 3 1 1 A 64 64 ARG N N 59 120.374 121.619 -1.245 1
2 771 . 3 1 1 A 64 64 ARG H H 59 8.136 7.761 0.375 1
2 772 . 3 1 1 A 64 64 ARG CA C 59 55.799 55.427 0.372 1
2 773 . 3 1 1 A 64 64 ARG HA H 59 4.287 4.513 -0.226 1
2 774 . 3 1 1 A 64 64 ARG CB C 59 30.371 30.292 0.079 1
2 785 . 3 1 1 A 64 64 ARG C C 59 176.287 175.734 0.553 1
2 786 . 3 1 1 A 65 65 LYS N N 60 121.593 119.820 1.773 1
2 787 . 3 1 1 A 65 65 LYS H H 60 8.483 8.250 0.233 1
2 788 . 3 1 1 A 65 65 LYS CA C 60 56.353 57.325 -0.972 1
2 789 . 3 1 1 A 65 65 LYS HA H 60 4.218 3.859 0.359 1
2 790 . 3 1 1 A 65 65 LYS CB C 60 32.260 31.115 1.145 1
2 796 . 3 1 1 A 65 65 LYS C C 60 176.102 175.623 0.479 1
2 797 . 3 1 1 A 66 66 ASN N N 61 118.654 116.417 2.237 1
2 798 . 3 1 1 A 66 66 ASN H H 61 8.413 8.830 -0.417 1
2 799 . 3 1 1 A 66 66 ASN CA C 61 53.055 53.881 -0.826 1
2 800 . 3 1 1 A 66 66 ASN HA H 61 4.639 4.533 0.106 1
2 801 . 3 1 1 A 66 66 ASN CB C 61 38.385 36.130 2.255 1
2 808 . 3 1 1 A 66 66 ASN C C 61 174.531 174.832 -0.301 1
2 809 . 3 1 1 A 67 67 SER N N 62 115.491 114.700 0.791 1
2 810 . 3 1 1 A 67 67 SER H H 62 8.288 8.178 0.110 1
2 811 . 3 1 1 A 67 67 SER CA C 62 57.980 58.499 -0.519 1
2 812 . 3 1 1 A 67 67 SER HA H 62 4.283 4.543 -0.260 1
2 813 . 3 1 1 A 67 67 SER CB C 62 63.205 61.709 1.496 1
2 816 . 3 1 1 A 67 67 SER C C 62 173.864 174.447 -0.583 1
2 817 . 3 1 1 A 68 68 LEU N N 63 123.549 118.535 5.014 1
2 818 . 3 1 1 A 68 68 LEU H H 63 8.063 8.137 -0.074 1
2 819 . 3 1 1 A 68 68 LEU CA C 63 54.098 54.033 0.065 1
2 820 . 3 1 1 A 68 68 LEU HA H 63 4.481 4.604 -0.123 1
2 821 . 3 1 1 A 68 68 LEU CB C 63 42.494 43.135 -0.641 1
2 834 . 3 1 1 A 68 68 LEU C C 63 176.532 175.624 0.908 1
2 835 . 3 1 1 A 69 69 THR N N 64 112.637 114.059 -1.422 1
2 836 . 3 1 1 A 69 69 THR H H 64 7.797 6.929 0.868 1
2 837 . 3 1 1 A 69 69 THR CA C 64 59.915 60.758 -0.843 1
2 838 . 3 1 1 A 69 69 THR HA H 64 4.490 4.761 -0.271 1
2 839 . 3 1 1 A 69 69 THR CB C 64 70.852 71.293 -0.441 1
2 845 . 3 1 1 A 69 69 THR C C 64 174.998 175.649 -0.651 1
2 846 . 3 1 1 A 70 70 LYS N N 65 120.128 123.311 -3.183 1
2 847 . 3 1 1 A 70 70 LYS H H 65 9.059 9.037 0.022 1
2 848 . 3 1 1 A 70 70 LYS CA C 65 59.535 59.046 0.489 1
2 849 . 3 1 1 A 70 70 LYS HA H 65 3.909 4.010 -0.101 1
2 850 . 3 1 1 A 70 70 LYS CB C 65 31.890 31.905 -0.015 1
2 858 . 3 1 1 A 70 70 LYS C C 65 177.536 178.463 -0.927 1
2 859 . 3 1 1 A 71 71 GLU N N 66 117.667 119.562 -1.895 1
2 860 . 3 1 1 A 71 71 GLU H H 66 8.699 8.575 0.124 1
2 861 . 3 1 1 A 71 71 GLU CA C 66 60.199 59.159 1.040 1
2 862 . 3 1 1 A 71 71 GLU HA H 66 3.806 4.055 -0.249 1
2 863 . 3 1 1 A 71 71 GLU CB C 66 27.986 29.796 -1.810 1
2 870 . 3 1 1 A 71 71 GLU C C 66 178.416 178.925 -0.509 1
2 871 . 3 1 1 A 72 72 ALA N N 67 123.924 122.190 1.734 1
2 872 . 3 1 1 A 72 72 ALA H H 67 7.992 7.532 0.460 1
2 873 . 3 1 1 A 72 72 ALA CA C 67 54.477 55.023 -0.546 1
2 874 . 3 1 1 A 72 72 ALA HA H 67 4.110 4.056 0.054 1
2 878 . 3 1 1 A 72 72 ALA CB C 67 18.301 18.500 -0.199 1
2 879 . 3 1 1 A 72 72 ALA C C 67 178.721 179.658 -0.937 1
2 880 . 3 1 1 A 73 73 VAL N N 68 119.434 117.906 1.528 1
2 881 . 3 1 1 A 73 73 VAL H H 68 8.044 8.042 0.002 1
2 882 . 3 1 1 A 73 73 VAL CA C 68 66.089 66.642 -0.553 1
2 883 . 3 1 1 A 73 73 VAL HA H 68 3.473 3.557 -0.084 1
2 884 . 3 1 1 A 73 73 VAL CB C 68 31.150 31.560 -0.410 1
2 894 . 3 1 1 A 73 73 VAL C C 68 177.001 178.615 -1.614 1
2 895 . 3 1 1 A 74 74 ALA N N 69 120.671 121.753 -1.082 1
2 896 . 3 1 1 A 74 74 ALA H H 69 8.407 8.181 0.226 1
2 897 . 3 1 1 A 74 74 ALA CA C 69 54.727 55.144 -0.417 1
2 898 . 3 1 1 A 74 74 ALA HA H 69 3.968 4.091 -0.123 1
2 902 . 3 1 1 A 74 74 ALA CB C 69 18.066 18.045 0.021 1
2 903 . 3 1 1 A 74 74 ALA C C 69 178.820 179.561 -0.741 1
2 904 . 3 1 1 A 75 75 LYS N N 70 118.624 117.821 0.803 1
2 905 . 3 1 1 A 75 75 LYS H H 70 7.930 7.855 0.075 1
2 906 . 3 1 1 A 75 75 LYS CA C 70 58.807 59.868 -1.061 1
2 907 . 3 1 1 A 75 75 LYS HA H 70 4.086 4.009 0.077 1
2 908 . 3 1 1 A 75 75 LYS CB C 70 31.776 32.145 -0.369 1
2 918 . 3 1 1 A 75 75 LYS C C 70 177.424 179.025 -1.601 1
2 919 . 3 1 1 A 76 76 ILE N N 71 120.234 119.819 0.415 1
2 920 . 3 1 1 A 76 76 ILE H H 71 7.478 7.788 -0.310 1
2 921 . 3 1 1 A 76 76 ILE CA C 71 64.885 64.792 0.093 1
2 922 . 3 1 1 A 76 76 ILE HA H 71 3.960 3.686 0.274 1
2 923 . 3 1 1 A 76 76 ILE CB C 71 37.810 37.215 0.595 1
2 936 . 3 1 1 A 76 76 ILE C C 71 179.734 178.320 1.414 1
2 937 . 3 1 1 A 77 77 VAL N N 72 122.502 119.988 2.514 1
2 938 . 3 1 1 A 77 77 VAL H H 72 8.325 8.035 0.290 1
2 939 . 3 1 1 A 77 77 VAL CA C 72 67.450 66.798 0.652 1
2 940 . 3 1 1 A 77 77 VAL HA H 72 3.576 3.495 0.081 1
2 941 . 3 1 1 A 77 77 VAL CB C 72 30.928 31.584 -0.656 1
2 951 . 3 1 1 A 77 77 VAL C C 72 176.906 178.236 -1.330 1
2 952 . 3 1 1 A 78 78 ASP N N 73 120.524 120.465 0.059 1
2 953 . 3 1 1 A 78 78 ASP H H 73 8.798 8.297 0.501 1
2 954 . 3 1 1 A 78 78 ASP CA C 73 58.206 57.584 0.622 1
2 955 . 3 1 1 A 78 78 ASP HA H 73 4.379 4.446 -0.067 1
2 956 . 3 1 1 A 78 78 ASP CB C 73 41.420 41.299 0.121 1
2 960 . 3 1 1 A 78 78 ASP C C 73 178.068 178.424 -0.356 1
2 961 . 3 1 1 A 79 79 ASP N N 74 119.761 119.845 -0.084 1
2 962 . 3 1 1 A 79 79 ASP H H 74 9.318 8.179 1.139 1
2 963 . 3 1 1 A 79 79 ASP CA C 74 57.025 57.230 -0.205 1
2 964 . 3 1 1 A 79 79 ASP HA H 74 4.404 4.365 0.039 1
2 965 . 3 1 1 A 79 79 ASP CB C 74 40.007 40.535 -0.528 1
2 969 . 3 1 1 A 79 79 ASP C C 74 178.813 178.609 0.204 1
2 970 . 3 1 1 A 80 80 THR N N 75 117.342 116.003 1.339 1
2 971 . 3 1 1 A 80 80 THR H H 75 8.084 8.298 -0.214 1
2 972 . 3 1 1 A 80 80 THR CA C 75 66.977 66.245 0.732 1
2 973 . 3 1 1 A 80 80 THR HA H 75 3.826 3.808 0.018 1
2 974 . 3 1 1 A 80 80 THR CB C 75 67.725 67.939 -0.214 1
2 980 . 3 1 1 A 80 80 THR C C 75 175.367 175.803 -0.436 1
2 981 . 3 1 1 A 81 81 TYR N N 76 123.732 120.679 3.053 1
2 982 . 3 1 1 A 81 81 TYR H H 76 8.830 8.262 0.568 1
2 983 . 3 1 1 A 81 81 TYR CA C 76 61.713 61.926 -0.213 1
2 984 . 3 1 1 A 81 81 TYR HA H 76 4.265 4.336 -0.071 1
2 985 . 3 1 1 A 81 81 TYR CB C 76 38.849 38.775 0.074 1
2 994 . 3 1 1 A 81 81 TYR C C 76 176.700 177.701 -1.001 1
2 995 . 3 1 1 A 82 82 ARG N N 77 118.508 117.753 0.755 1
2 996 . 3 1 1 A 82 82 ARG H H 77 8.754 8.595 0.159 1
2 997 . 3 1 1 A 82 82 ARG CA C 77 58.792 59.758 -0.966 1
2 998 . 3 1 1 A 82 82 ARG HA H 77 3.890 4.066 -0.176 1
2 999 . 3 1 1 A 82 82 ARG CB C 77 29.498 29.932 -0.434 1
2 1015 . 3 1 1 A 82 82 ARG C C 77 178.748 179.391 -0.643 1
2 1016 . 3 1 1 A 83 83 LYS N N 78 118.079 118.648 -0.569 1
2 1017 . 3 1 1 A 83 83 LYS H H 78 7.696 8.039 -0.343 1
2 1018 . 3 1 1 A 83 83 LYS CA C 78 58.671 58.809 -0.138 1
2 1019 . 3 1 1 A 83 83 LYS HA H 78 4.024 4.167 -0.143 1
2 1020 . 3 1 1 A 83 83 LYS CB C 78 32.057 31.953 0.104 1
2 1026 . 3 1 1 A 83 83 LYS C C 78 177.743 179.161 -1.418 1
2 1027 . 3 1 1 A 84 84 MET N N 79 118.241 119.541 -1.300 1
2 1028 . 3 1 1 A 84 84 MET H H 79 7.748 8.073 -0.325 1
2 1029 . 3 1 1 A 84 84 MET CA C 79 57.209 58.495 -1.286 1
2 1030 . 3 1 1 A 84 84 MET HA H 79 4.170 4.213 -0.043 1
2 1031 . 3 1 1 A 84 84 MET CB C 79 32.320 32.971 -0.651 1
2 1041 . 3 1 1 A 84 84 MET C C 79 177.036 176.950 0.086 1
2 1042 . 3 1 1 A 85 85 GLN N N 80 117.242 117.208 0.034 1
2 1043 . 3 1 1 A 85 85 GLN H H 80 7.843 7.891 -0.048 1
2 1044 . 3 1 1 A 85 85 GLN CA C 80 56.523 55.074 1.449 1
2 1045 . 3 1 1 A 85 85 GLN HA H 80 3.993 4.524 -0.531 1
2 1046 . 3 1 1 A 85 85 GLN CB C 80 28.240 29.901 -1.661 1
2 1056 . 3 1 1 A 85 85 GLN C C 80 176.690 175.441 1.249 1
2 1057 . 3 1 1 A 86 86 ILE N N 81 119.178 117.697 1.481 1
2 1058 . 3 1 1 A 86 86 ILE H H 81 7.715 7.732 -0.017 1
2 1059 . 3 1 1 A 86 86 ILE CA C 81 62.073 62.495 -0.422 1
2 1060 . 3 1 1 A 86 86 ILE HA H 81 3.934 3.704 0.230 1
2 1061 . 3 1 1 A 86 86 ILE CB C 81 37.966 36.491 1.475 1
2 1074 . 3 1 1 A 86 86 ILE C C 81 176.673 174.909 1.764 1
2 1075 . 3 1 1 A 87 87 GLN N N 82 121.386 120.976 0.410 1
2 1076 . 3 1 1 A 87 87 GLN H H 82 8.164 7.911 0.253 1
2 1077 . 3 1 1 A 87 87 GLN CA C 82 55.968 55.516 0.452 1
2 1078 . 3 1 1 A 87 87 GLN HA H 82 4.214 4.297 -0.083 1
2 1079 . 3 1 1 A 87 87 GLN CB C 82 28.735 30.216 -1.481 1
2 1088 . 3 1 1 A 87 87 GLN C C 82 175.836 176.248 -0.412 1
2 1089 . 3 1 1 A 88 88 CYS N N 83 118.663 117.170 1.493 1
2 1090 . 3 1 1 A 88 88 CYS H H 83 8.238 8.792 -0.554 1
2 1091 . 3 1 1 A 88 88 CYS CA C 83 57.997 61.031 -3.034 1
2 1092 . 3 1 1 A 88 88 CYS HA H 83 4.467 3.935 0.532 1
2 1093 . 3 1 1 A 88 88 CYS CB C 83 27.582 26.173 1.409 1
2 1096 . 3 1 1 A 88 88 CYS C C 83 173.432 174.102 -0.670 1
2 1097 . 3 1 1 A 89 89 ALA N N 84 127.014 122.374 4.640 1
2 1098 . 3 1 1 A 89 89 ALA H H 84 8.249 7.925 0.324 1
2 1099 . 3 1 1 A 89 89 ALA CA C 84 50.607 52.610 -2.003 1
2 1100 . 3 1 1 A 89 89 ALA HA H 84 4.544 3.980 0.564 1
2 1104 . 3 1 1 A 89 89 ALA CB C 84 17.658 17.142 0.516 1
2 1105 . 3 1 1 A 89 89 ALA C C 84 175.125 178.110 -2.985 1
2 1107 . 3 1 1 A 90 90 PRO CA C 85 62.995 63.670 -0.675 1
2 1108 . 3 1 1 A 90 90 PRO HA H 85 4.373 4.314 0.059 1
2 1109 . 3 1 1 A 90 90 PRO CB C 85 31.692 32.083 -0.391 1
2 1117 . 3 1 1 A 90 90 PRO C C 85 176.407 177.061 -0.654 1
2 1118 . 3 1 1 A 91 91 ASP N N 86 119.209 118.697 0.512 1
2 1119 . 3 1 1 A 91 91 ASP H H 86 8.429 8.070 0.359 1
2 1120 . 3 1 1 A 91 91 ASP CA C 86 53.752 54.742 -0.990 1
2 1121 . 3 1 1 A 91 91 ASP HA H 86 4.394 4.302 0.092 1
2 1122 . 3 1 1 A 91 91 ASP CB C 86 40.319 39.040 1.279 1
2 1125 . 3 1 1 A 91 91 ASP C C 86 176.101 176.523 -0.422 1
2 1126 . 3 1 1 A 92 92 LEU N N 87 122.571 123.452 -0.881 1
2 1127 . 3 1 1 A 92 92 LEU H H 87 8.208 7.877 0.331 1
2 1128 . 3 1 1 A 92 92 LEU CA C 87 55.286 57.716 -2.430 1
2 1129 . 3 1 1 A 92 92 LEU HA H 87 4.204 3.997 0.207 1
2 1130 . 3 1 1 A 92 92 LEU CB C 87 41.786 42.561 -0.775 1
2 1143 . 3 1 1 A 92 92 LEU C C 87 177.406 176.255 1.151 1
2 1144 . 3 1 1 A 93 93 ALA N N 88 123.131 120.690 2.441 1
2 1145 . 3 1 1 A 93 93 ALA H H 88 8.305 7.906 0.399 1
2 1146 . 3 1 1 A 93 93 ALA CA C 88 52.876 53.227 -0.351 1
2 1147 . 3 1 1 A 93 93 ALA HA H 88 4.263 3.945 0.318 1
2 1151 . 3 1 1 A 93 93 ALA CB C 88 18.672 17.447 1.225 1
2 1152 . 3 1 1 A 93 93 ALA C C 88 178.033 176.254 1.779 1
2 1153 . 3 1 1 A 94 94 THR N N 89 112.097 102.216 9.881 1
2 1154 . 3 1 1 A 94 94 THR H H 89 7.994 8.237 -0.243 1
2 1155 . 3 1 1 A 94 94 THR CA C 89 61.640 63.072 -1.432 1
2 1156 . 3 1 1 A 94 94 THR HA H 89 4.251 3.905 0.346 1
2 1157 . 3 1 1 A 94 94 THR CB C 89 69.063 66.429 2.634 1
2 1163 . 3 1 1 A 94 94 THR C C 89 174.493 173.847 0.646 1
2 1164 . 3 1 1 A 95 95 ARG N N 90 122.704 113.546 9.158 1
2 1165 . 3 1 1 A 95 95 ARG H H 90 8.211 8.293 -0.082 1
2 1166 . 3 1 1 A 95 95 ARG CA C 90 55.718 57.636 -1.918 1
2 1167 . 3 1 1 A 95 95 ARG HA H 90 4.324 4.038 0.286 1
2 1168 . 3 1 1 A 95 95 ARG CB C 90 30.309 27.233 3.076 1
2 1179 . 3 1 1 A 95 95 ARG C C 90 175.927 174.869 1.058 1
2 1180 . 3 1 1 A 96 96 SER N N 91 116.390 115.011 1.379 1
2 1181 . 3 1 1 A 96 96 SER H H 91 8.365 8.086 0.279 1
2 1182 . 3 1 1 A 96 96 SER CA C 91 57.823 58.028 -0.205 1
2 1183 . 3 1 1 A 96 96 SER HA H 91 4.356 4.684 -0.328 1
2 1184 . 3 1 1 A 96 96 SER CB C 91 63.214 61.956 1.258 1
2 1187 . 3 1 1 A 96 96 SER C C 91 174.011 174.247 -0.236 1
2 1188 . 3 1 1 A 97 97 HIS N N 92 120.507 118.997 1.510 1
2 1189 . 3 1 1 A 97 97 HIS H H 92 8.541 8.519 0.022 1
2 1190 . 3 1 1 A 97 97 HIS CA C 92 54.960 55.146 -0.186 1
2 1191 . 3 1 1 A 97 97 HIS HA H 92 4.704 4.839 -0.135 1
2 1192 . 3 1 1 A 97 97 HIS CB C 92 28.518 30.688 -2.170 1
2 1197 . 3 1 1 A 97 97 HIS C C 92 174.186 174.178 0.008 1
2 1198 . 3 1 1 A 98 98 SER N N 93 116.801 110.831 5.970 1
2 1199 . 3 1 1 A 98 98 SER H H 93 8.455 7.566 0.889 1
2 1200 . 3 1 1 A 98 98 SER CA C 93 57.880 57.472 0.408 1
2 1201 . 3 1 1 A 98 98 SER HA H 93 4.445 4.521 -0.076 1
2 1202 . 3 1 1 A 98 98 SER CB C 93 63.434 65.338 -1.904 1
2 1205 . 3 1 1 A 98 98 SER C C 93 174.508 173.592 0.916 1
2 1206 . 3 1 1 A 99 99 GLY N N 94 111.114 110.699 0.415 1
2 1207 . 3 1 1 A 99 99 GLY H H 94 8.597 8.510 0.087 1
2 1208 . 3 1 1 A 99 99 GLY CA C 94 44.888 44.723 0.165 1
2 1209 . 3 1 1 A 99 99 GLY HA2 H 94 3.998 4.116 -0.118 1
2 1210 . 3 1 1 A 99 99 GLY HA3 H 94 3.998 4.122 -0.124 1
2 1211 . 3 1 1 A 99 99 GLY C C 94 173.856 174.428 -0.572 1
2 1212 . 3 1 1 A 100 100 SER N N 95 115.398 115.541 -0.143 1
2 1213 . 3 1 1 A 100 100 SER H H 95 8.311 8.435 -0.124 1
2 1214 . 3 1 1 A 100 100 SER CA C 95 57.888 59.807 -1.919 1
2 1215 . 3 1 1 A 100 100 SER HA H 95 4.408 4.305 0.103 1
2 1216 . 3 1 1 A 100 100 SER CB C 95 63.328 63.307 0.021 1
2 1219 . 3 1 1 A 100 100 SER C C 95 173.725 174.346 -0.621 1
2 1220 . 3 1 1 A 101 101 ASP N N 96 121.810 119.288 2.522 1
2 1221 . 3 1 1 A 101 101 ASP H H 96 8.380 8.403 -0.023 1
2 1222 . 3 1 1 A 101 101 ASP CA C 96 53.813 54.258 -0.445 1
2 1223 . 3 1 1 A 101 101 ASP HA H 96 4.536 4.999 -0.463 1
2 1224 . 3 1 1 A 101 101 ASP CB C 96 40.438 42.483 -2.045 1
2 1227 . 3 1 1 A 101 101 ASP C C 96 175.524 176.706 -1.182 1
2 1228 . 3 1 1 A 102 102 PHE N N 97 120.706 117.496 3.210 1
2 1229 . 3 1 1 A 102 102 PHE H H 97 8.249 8.052 0.197 1
2 1230 . 3 1 1 A 102 102 PHE CA C 97 57.323 57.970 -0.647 1
2 1231 . 3 1 1 A 102 102 PHE HA H 97 4.527 4.631 -0.104 1
2 1232 . 3 1 1 A 102 102 PHE CB C 97 38.989 39.295 -0.306 1
2 1238 . 3 1 1 A 102 102 PHE C C 97 175.246 175.941 -0.695 1
2 1239 . 3 1 1 A 103 103 SER N N 98 116.992 114.673 2.319 1
2 1240 . 3 1 1 A 103 103 SER H H 98 8.167 7.940 0.227 1
2 1241 . 3 1 1 A 103 103 SER CA C 98 57.883 57.379 0.504 1
2 1242 . 3 1 1 A 103 103 SER HA H 98 4.317 4.890 -0.573 1
2 1243 . 3 1 1 A 103 103 SER CB C 98 63.301 64.074 -0.773 1
2 1246 . 3 1 1 A 103 103 SER C C 98 173.244 173.522 -0.278 1
2 1247 . 3 1 1 A 104 104 PHE N N 99 122.000 123.271 -1.271 1
2 1248 . 3 1 1 A 104 104 PHE H H 99 8.170 8.455 -0.285 1
2 1249 . 3 1 1 A 104 104 PHE CA C 99 57.236 56.201 1.035 1
2 1250 . 3 1 1 A 104 104 PHE HA H 99 4.529 4.496 0.033 1
2 1251 . 3 1 1 A 104 104 PHE CB C 99 38.997 37.965 1.032 1
2 1257 . 3 1 1 A 104 104 PHE C C 99 174.632 174.460 0.172 1
2 1258 . 3 1 1 A 105 105 ARG N N 100 124.796 128.420 -3.624 1
2 1259 . 3 1 1 A 105 105 ARG H H 100 8.101 8.371 -0.270 1
2 1260 . 3 1 1 A 105 105 ARG CA C 100 52.969 54.360 -1.391 1
2 1261 . 3 1 1 A 105 105 ARG HA H 100 4.516 4.267 0.249 1
2 1262 . 3 1 1 A 105 105 ARG CB C 100 30.069 30.827 -0.758 1
2 1271 . 3 1 1 A 105 105 ARG C C 100 172.924 174.714 -1.790 1
2 1273 . 3 1 1 A 106 106 PRO CA C 101 62.673 62.349 0.324 1
2 1274 . 3 1 1 A 106 106 PRO HA H 101 4.351 4.681 -0.330 1
2 1275 . 3 1 1 A 106 106 PRO CB C 101 31.726 33.423 -1.697 1
2 1283 . 3 1 1 A 106 106 PRO C C 101 176.395 176.415 -0.020 1
2 1284 . 3 1 1 A 107 107 ILE N N 102 121.380 121.028 0.352 1
2 1285 . 3 1 1 A 107 107 ILE H H 102 8.350 8.487 -0.137 1
2 1286 . 3 1 1 A 107 107 ILE CA C 102 60.940 60.470 0.470 1
2 1287 . 3 1 1 A 107 107 ILE HA H 102 4.039 4.602 -0.563 1
2 1288 . 3 1 1 A 107 107 ILE CB C 102 38.204 38.949 -0.745 1
2 1301 . 3 1 1 A 107 107 ILE C C 102 175.990 176.371 -0.381 1
2 1302 . 3 1 1 A 108 108 GLU N N 103 124.836 123.303 1.533 1
2 1303 . 3 1 1 A 108 108 GLU H H 103 8.578 8.011 0.567 1
2 1304 . 3 1 1 A 108 108 GLU CA C 103 55.883 59.533 -3.650 1
2 1305 . 3 1 1 A 108 108 GLU HA H 103 4.280 3.883 0.397 1
2 1306 . 3 1 1 A 108 108 GLU CB C 103 29.902 29.153 0.749 1
2 1312 . 3 1 1 A 108 108 GLU C C 103 175.670 176.611 -0.941 1
2 1313 . 3 1 1 A 109 109 GLU N N 104 122.847 118.959 3.888 1
2 1314 . 3 1 1 A 109 109 GLU H H 104 8.459 8.070 0.389 1
2 1315 . 3 1 1 A 109 109 GLU CA C 104 55.902 57.582 -1.680 1
2 1316 . 3 1 1 A 109 109 GLU HA H 104 4.267 3.993 0.274 1
2 1317 . 3 1 1 A 109 109 GLU CB C 104 29.985 28.556 1.429 1
2 1322 . 3 1 1 A 109 109 GLU C C 104 174.661 176.077 -1.416 1
2 3 . 4 1 1 A 2 2 SER N N -4 115.528 118.023 -2.495 1
2 4 . 4 1 1 A 2 2 SER H H -4 8.751 9.055 -0.304 1
2 5 . 4 1 1 A 2 2 SER CA C -4 57.687 61.399 -3.712 1
2 6 . 4 1 1 A 2 2 SER HA H -4 4.451 4.005 0.446 1
2 7 . 4 1 1 A 2 2 SER CB C -4 63.389 61.923 1.466 1
2 8 . 4 1 1 A 2 2 SER C C -4 173.913 175.870 -1.957 1
2 9 . 4 1 1 A 3 3 HIS N N -3 120.998 117.386 3.612 1
2 10 . 4 1 1 A 3 3 HIS H H -3 8.769 6.740 2.029 1
2 11 . 4 1 1 A 3 3 HIS CA C -3 55.010 54.840 0.170 1
2 12 . 4 1 1 A 3 3 HIS HA H -3 4.707 4.727 -0.020 1
2 13 . 4 1 1 A 3 3 HIS CB C -3 28.916 28.172 0.744 1
2 16 . 4 1 1 A 3 3 HIS C C -3 174.207 174.688 -0.481 1
2 17 . 4 1 1 A 4 4 MET N N -2 122.227 118.956 3.271 1
2 18 . 4 1 1 A 4 4 MET H H -2 8.518 7.442 1.076 1
2 19 . 4 1 1 A 4 4 MET CA C -2 55.014 55.284 -0.270 1
2 20 . 4 1 1 A 4 4 MET HA H -2 4.418 4.956 -0.538 1
2 21 . 4 1 1 A 4 4 MET CB C -2 32.678 33.966 -1.288 1
2 31 . 4 1 1 A 4 4 MET C C -2 175.481 175.156 0.325 1
2 49 . 4 1 1 A 7 7 ALA N N 2 124.549 122.633 1.916 1
2 50 . 4 1 1 A 7 7 ALA H H 2 8.453 7.830 0.623 1
2 51 . 4 1 1 A 7 7 ALA CA C 2 53.221 54.855 -1.634 1
2 52 . 4 1 1 A 7 7 ALA HA H 2 4.194 4.127 0.067 1
2 56 . 4 1 1 A 7 7 ALA CB C 2 18.431 18.247 0.184 1
2 57 . 4 1 1 A 7 7 ALA C C 2 178.162 179.282 -1.120 1
2 58 . 4 1 1 A 8 8 ASP N N 3 118.618 118.201 0.417 1
2 59 . 4 1 1 A 8 8 ASP H H 3 8.064 7.916 0.148 1
2 60 . 4 1 1 A 8 8 ASP CA C 3 54.124 56.684 -2.560 1
2 61 . 4 1 1 A 8 8 ASP HA H 3 4.539 4.388 0.151 1
2 62 . 4 1 1 A 8 8 ASP CB C 3 40.341 40.859 -0.518 1
2 65 . 4 1 1 A 8 8 ASP C C 3 176.694 178.410 -1.716 1
2 66 . 4 1 1 A 9 9 LEU N N 4 123.427 120.531 2.896 1
2 67 . 4 1 1 A 9 9 LEU H H 4 8.202 7.769 0.433 1
2 68 . 4 1 1 A 9 9 LEU CA C 4 57.495 57.938 -0.443 1
2 69 . 4 1 1 A 9 9 LEU HA H 4 4.086 4.070 0.016 1
2 70 . 4 1 1 A 9 9 LEU CB C 4 41.905 41.662 0.243 1
2 82 . 4 1 1 A 9 9 LEU C C 4 178.839 178.697 0.142 1
2 83 . 4 1 1 A 10 10 VAL N N 5 119.385 119.344 0.041 1
2 84 . 4 1 1 A 10 10 VAL H H 5 8.186 8.280 -0.094 1
2 85 . 4 1 1 A 10 10 VAL CA C 5 66.585 66.616 -0.031 1
2 86 . 4 1 1 A 10 10 VAL HA H 5 3.420 3.535 -0.115 1
2 87 . 4 1 1 A 10 10 VAL CB C 5 31.177 31.595 -0.418 1
2 97 . 4 1 1 A 10 10 VAL C C 5 177.439 178.254 -0.815 1
2 98 . 4 1 1 A 11 11 SER N N 6 115.027 115.639 -0.612 1
2 99 . 4 1 1 A 11 11 SER H H 6 8.252 8.044 0.208 1
2 100 . 4 1 1 A 11 11 SER CA C 6 61.152 61.672 -0.520 1
2 101 . 4 1 1 A 11 11 SER HA H 6 4.055 4.070 -0.015 1
2 102 . 4 1 1 A 11 11 SER CB C 6 62.161 62.917 -0.756 1
2 105 . 4 1 1 A 11 11 SER C C 6 176.036 176.381 -0.345 1
2 106 . 4 1 1 A 12 12 SER N N 7 115.144 116.068 -0.924 1
2 107 . 4 1 1 A 12 12 SER H H 7 8.053 8.444 -0.391 1
2 108 . 4 1 1 A 12 12 SER CA C 7 60.168 61.532 -1.364 1
2 109 . 4 1 1 A 12 12 SER HA H 7 4.284 4.198 0.086 1
2 110 . 4 1 1 A 12 12 SER CB C 7 62.706 62.605 0.101 1
2 113 . 4 1 1 A 12 12 SER C C 7 176.540 176.932 -0.392 1
2 114 . 4 1 1 A 13 13 CYS N N 8 118.211 119.767 -1.556 1
2 115 . 4 1 1 A 13 13 CYS H H 8 7.919 8.473 -0.554 1
2 116 . 4 1 1 A 13 13 CYS CA C 8 63.651 64.041 -0.390 1
2 117 . 4 1 1 A 13 13 CYS HA H 8 4.026 4.209 -0.183 1
2 118 . 4 1 1 A 13 13 CYS CB C 8 26.641 27.024 -0.383 1
2 121 . 4 1 1 A 13 13 CYS C C 8 175.645 177.074 -1.429 1
2 122 . 4 1 1 A 14 14 LYS N N 9 120.074 121.458 -1.384 1
2 123 . 4 1 1 A 14 14 LYS H H 9 8.632 8.257 0.375 1
2 124 . 4 1 1 A 14 14 LYS CA C 9 60.441 59.725 0.716 1
2 125 . 4 1 1 A 14 14 LYS HA H 9 3.672 4.052 -0.380 1
2 126 . 4 1 1 A 14 14 LYS CB C 9 31.685 32.099 -0.414 1
2 138 . 4 1 1 A 14 14 LYS C C 9 177.615 177.890 -0.275 1
2 139 . 4 1 1 A 15 15 ASP N N 10 117.613 119.554 -1.941 1
2 140 . 4 1 1 A 15 15 ASP H H 10 7.732 8.157 -0.425 1
2 141 . 4 1 1 A 15 15 ASP CA C 10 56.175 57.604 -1.429 1
2 142 . 4 1 1 A 15 15 ASP HA H 10 4.307 4.307 0.000 1
2 143 . 4 1 1 A 15 15 ASP CB C 10 40.056 41.752 -1.696 1
2 146 . 4 1 1 A 15 15 ASP C C 10 177.650 178.794 -1.144 1
2 147 . 4 1 1 A 16 16 LYS N N 11 117.878 118.600 -0.722 1
2 148 . 4 1 1 A 16 16 LYS H H 11 7.254 7.920 -0.666 1
2 149 . 4 1 1 A 16 16 LYS CA C 11 58.962 59.346 -0.384 1
2 150 . 4 1 1 A 16 16 LYS HA H 11 3.645 4.017 -0.372 1
2 151 . 4 1 1 A 16 16 LYS CB C 11 32.951 32.648 0.303 1
2 160 . 4 1 1 A 16 16 LYS C C 11 177.263 178.722 -1.459 1
2 161 . 4 1 1 A 17 17 LEU N N 12 115.652 121.870 -6.218 1
2 162 . 4 1 1 A 17 17 LEU H H 12 8.138 8.625 -0.487 1
2 163 . 4 1 1 A 17 17 LEU CA C 12 56.726 58.099 -1.373 1
2 164 . 4 1 1 A 17 17 LEU HA H 12 3.579 4.208 -0.629 1
2 165 . 4 1 1 A 17 17 LEU CB C 12 41.959 41.389 0.570 1
2 176 . 4 1 1 A 17 17 LEU C C 12 177.485 178.645 -1.160 1
2 177 . 4 1 1 A 18 18 ALA N N 13 116.044 120.985 -4.941 1
2 178 . 4 1 1 A 18 18 ALA H H 13 7.080 8.631 -1.551 1
2 179 . 4 1 1 A 18 18 ALA CA C 13 53.389 54.887 -1.498 1
2 180 . 4 1 1 A 18 18 ALA HA H 13 3.963 4.104 -0.141 1
2 184 . 4 1 1 A 18 18 ALA CB C 13 18.161 18.504 -0.343 1
2 185 . 4 1 1 A 18 18 ALA C C 13 178.207 179.736 -1.529 1
2 186 . 4 1 1 A 19 19 TYR N N 14 115.556 119.217 -3.661 1
2 187 . 4 1 1 A 19 19 TYR H H 14 7.675 7.659 0.016 1
2 188 . 4 1 1 A 19 19 TYR CA C 14 58.647 59.684 -1.037 1
2 189 . 4 1 1 A 19 19 TYR HA H 14 4.304 4.142 0.162 1
2 190 . 4 1 1 A 19 19 TYR CB C 14 38.609 39.077 -0.468 1
2 199 . 4 1 1 A 19 19 TYR C C 14 175.911 175.714 0.197 1
2 200 . 4 1 1 A 20 20 PHE N N 15 118.275 119.385 -1.110 1
2 201 . 4 1 1 A 20 20 PHE H H 15 7.406 7.757 -0.351 1
2 202 . 4 1 1 A 20 20 PHE CA C 15 56.615 56.802 -0.187 1
2 203 . 4 1 1 A 20 20 PHE HA H 15 4.649 4.741 -0.092 1
2 204 . 4 1 1 A 20 20 PHE CB C 15 38.750 40.397 -1.647 1
2 215 . 4 1 1 A 20 20 PHE C C 15 176.160 175.576 0.584 1
2 216 . 4 1 1 A 21 21 ARG N N 16 119.140 121.895 -2.755 1
2 217 . 4 1 1 A 21 21 ARG H H 16 8.714 8.671 0.043 1
2 218 . 4 1 1 A 21 21 ARG CA C 16 54.349 56.233 -1.884 1
2 219 . 4 1 1 A 21 21 ARG HA H 16 4.751 4.309 0.442 1
2 220 . 4 1 1 A 21 21 ARG CB C 16 30.097 31.229 -1.132 1
2 236 . 4 1 1 A 21 21 ARG C C 16 177.095 177.737 -0.642 1
2 237 . 4 1 1 A 22 22 ILE N N 17 120.734 122.028 -1.294 1
2 238 . 4 1 1 A 22 22 ILE H H 17 8.708 8.759 -0.051 1
2 239 . 4 1 1 A 22 22 ILE CA C 17 65.145 64.575 0.570 1
2 240 . 4 1 1 A 22 22 ILE HA H 17 3.720 3.682 0.038 1
2 241 . 4 1 1 A 22 22 ILE CB C 17 36.857 37.646 -0.789 1
2 254 . 4 1 1 A 22 22 ILE C C 17 176.745 177.928 -1.183 1
2 255 . 4 1 1 A 23 23 LYS N N 18 118.184 121.727 -3.543 1
2 256 . 4 1 1 A 23 23 LYS H H 18 8.267 8.309 -0.042 1
2 257 . 4 1 1 A 23 23 LYS CA C 18 59.829 59.926 -0.097 1
2 258 . 4 1 1 A 23 23 LYS HA H 18 3.897 3.865 0.032 1
2 259 . 4 1 1 A 23 23 LYS CB C 18 32.268 32.239 0.029 1
2 271 . 4 1 1 A 23 23 LYS C C 18 178.159 178.676 -0.517 1
2 272 . 4 1 1 A 24 24 GLU N N 19 117.654 119.899 -2.245 1
2 273 . 4 1 1 A 24 24 GLU H H 19 7.198 8.019 -0.821 1
2 274 . 4 1 1 A 24 24 GLU CA C 19 60.612 59.156 1.456 1
2 275 . 4 1 1 A 24 24 GLU HA H 19 4.030 3.884 0.146 1
2 276 . 4 1 1 A 24 24 GLU CB C 19 28.859 29.409 -0.550 1
2 282 . 4 1 1 A 24 24 GLU C C 19 178.521 179.189 -0.668 1
2 283 . 4 1 1 A 25 25 LEU N N 20 119.236 120.211 -0.975 1
2 284 . 4 1 1 A 25 25 LEU H H 20 7.980 8.200 -0.220 1
2 285 . 4 1 1 A 25 25 LEU CA C 20 57.676 58.053 -0.377 1
2 286 . 4 1 1 A 25 25 LEU HA H 20 3.904 3.984 -0.080 1
2 287 . 4 1 1 A 25 25 LEU CB C 20 42.218 41.314 0.904 1
2 294 . 4 1 1 A 25 25 LEU C C 20 177.990 179.370 -1.380 1
2 295 . 4 1 1 A 26 26 LYS N N 21 117.457 120.224 -2.767 1
2 296 . 4 1 1 A 26 26 LYS H H 21 8.770 8.403 0.367 1
2 297 . 4 1 1 A 26 26 LYS CA C 21 60.660 60.096 0.564 1
2 298 . 4 1 1 A 26 26 LYS HA H 21 3.787 3.870 -0.083 1
2 299 . 4 1 1 A 26 26 LYS CB C 21 31.876 32.066 -0.190 1
2 300 . 4 1 1 A 26 26 LYS C C 21 177.625 179.120 -1.495 1
2 301 . 4 1 1 A 27 27 ASP N N 22 119.023 120.208 -1.185 1
2 302 . 4 1 1 A 27 27 ASP H H 22 7.671 8.006 -0.335 1
2 303 . 4 1 1 A 27 27 ASP CA C 22 56.974 57.030 -0.056 1
2 304 . 4 1 1 A 27 27 ASP HA H 22 4.392 4.454 -0.062 1
2 305 . 4 1 1 A 27 27 ASP CB C 22 40.250 40.680 -0.430 1
2 308 . 4 1 1 A 27 27 ASP C C 22 180.796 178.983 1.813 1
2 309 . 4 1 1 A 28 28 ILE N N 23 119.318 120.312 -0.994 1
2 310 . 4 1 1 A 28 28 ILE H H 23 8.039 7.754 0.285 1
2 311 . 4 1 1 A 28 28 ILE CA C 23 65.365 65.524 -0.159 1
2 312 . 4 1 1 A 28 28 ILE HA H 23 3.587 3.647 -0.060 1
2 313 . 4 1 1 A 28 28 ILE CB C 23 37.408 38.130 -0.722 1
2 326 . 4 1 1 A 28 28 ILE C C 23 177.265 178.354 -1.089 1
2 327 . 4 1 1 A 29 29 LEU N N 24 120.356 121.403 -1.047 1
2 328 . 4 1 1 A 29 29 LEU H H 24 8.220 8.546 -0.326 1
2 329 . 4 1 1 A 29 29 LEU CA C 24 58.562 58.226 0.336 1
2 330 . 4 1 1 A 29 29 LEU HA H 24 3.806 3.999 -0.193 1
2 331 . 4 1 1 A 29 29 LEU CB C 24 39.477 41.414 -1.937 1
2 339 . 4 1 1 A 29 29 LEU C C 24 178.572 178.262 0.310 1
2 340 . 4 1 1 A 30 30 ASN N N 25 117.446 117.174 0.272 1
2 341 . 4 1 1 A 30 30 ASN H H 25 8.688 8.415 0.273 1
2 342 . 4 1 1 A 30 30 ASN CA C 25 56.092 56.848 -0.756 1
2 343 . 4 1 1 A 30 30 ASN HA H 25 4.493 4.381 0.112 1
2 344 . 4 1 1 A 30 30 ASN CB C 25 38.809 38.993 -0.184 1
2 351 . 4 1 1 A 30 30 ASN C C 25 178.884 178.235 0.649 1
2 352 . 4 1 1 A 31 31 GLN N N 26 119.946 118.333 1.613 1
2 353 . 4 1 1 A 31 31 GLN H H 26 8.184 7.792 0.392 1
2 354 . 4 1 1 A 31 31 GLN CA C 26 58.786 58.554 0.232 1
2 355 . 4 1 1 A 31 31 GLN HA H 26 4.041 4.079 -0.038 1
2 356 . 4 1 1 A 31 31 GLN CB C 26 29.089 28.366 0.723 1
2 366 . 4 1 1 A 31 31 GLN C C 26 177.656 179.009 -1.353 1
2 367 . 4 1 1 A 32 32 LEU N N 27 116.979 118.963 -1.984 1
2 368 . 4 1 1 A 32 32 LEU H H 27 7.893 7.751 0.142 1
2 369 . 4 1 1 A 32 32 LEU CA C 27 54.545 55.497 -0.952 1
2 370 . 4 1 1 A 32 32 LEU HA H 27 4.227 4.424 -0.197 1
2 371 . 4 1 1 A 32 32 LEU CB C 27 42.063 42.868 -0.805 1
2 382 . 4 1 1 A 32 32 LEU C C 27 175.733 176.857 -1.124 1
2 383 . 4 1 1 A 33 33 GLY N N 28 108.299 107.875 0.424 1
2 384 . 4 1 1 A 33 33 GLY H H 28 7.834 7.552 0.282 1
2 385 . 4 1 1 A 33 33 GLY CA C 28 45.707 44.892 0.815 1
2 386 . 4 1 1 A 33 33 GLY HA2 H 28 3.952 3.999 -0.047 1
2 387 . 4 1 1 A 33 33 GLY HA3 H 28 3.952 4.000 -0.048 1
2 388 . 4 1 1 A 33 33 GLY C C 28 174.317 174.696 -0.379 1
2 389 . 4 1 1 A 34 34 LEU N N 29 120.833 115.225 5.608 1
2 390 . 4 1 1 A 34 34 LEU H H 29 7.986 8.398 -0.412 1
2 391 . 4 1 1 A 34 34 LEU CA C 29 51.558 55.316 -3.758 1
2 392 . 4 1 1 A 34 34 LEU HA H 29 4.744 4.185 0.559 1
2 393 . 4 1 1 A 34 34 LEU CB C 29 43.525 40.942 2.583 1
2 405 . 4 1 1 A 35 35 PRO CA C 30 62.707 62.539 0.168 1
2 406 . 4 1 1 A 35 35 PRO HA H 30 4.351 4.484 -0.133 1
2 407 . 4 1 1 A 35 35 PRO CB C 30 31.919 32.316 -0.397 1
2 415 . 4 1 1 A 35 35 PRO C C 30 177.488 177.303 0.185 1
2 416 . 4 1 1 A 36 36 LYS N N 31 117.590 120.911 -3.321 1
2 417 . 4 1 1 A 36 36 LYS H H 31 8.380 9.017 -0.637 1
2 418 . 4 1 1 A 36 36 LYS CA C 31 55.660 59.202 -3.542 1
2 419 . 4 1 1 A 36 36 LYS HA H 31 4.286 3.956 0.330 1
2 420 . 4 1 1 A 36 36 LYS CB C 31 33.239 32.634 0.605 1
2 430 . 4 1 1 A 36 36 LYS C C 31 174.384 176.499 -2.115 1
2 431 . 4 1 1 A 37 37 GLN N N 32 118.260 113.620 4.640 1
2 432 . 4 1 1 A 37 37 GLN H H 32 7.698 7.694 0.004 1
2 433 . 4 1 1 A 37 37 GLN CA C 32 55.550 54.453 1.097 1
2 434 . 4 1 1 A 37 37 GLN HA H 32 4.376 4.676 -0.300 1
2 435 . 4 1 1 A 37 37 GLN CB C 32 28.221 30.437 -2.216 1
2 445 . 4 1 1 A 37 37 GLN C C 32 175.222 174.268 0.954 1
2 446 . 4 1 1 A 38 38 GLY N N 33 109.855 106.986 2.869 1
2 447 . 4 1 1 A 38 38 GLY H H 33 8.449 8.499 -0.050 1
2 448 . 4 1 1 A 38 38 GLY CA C 33 43.235 45.257 -2.022 1
2 449 . 4 1 1 A 38 38 GLY HA2 H 33 4.566 4.200 0.366 1
2 450 . 4 1 1 A 38 38 GLY HA3 H 33 3.789 4.200 -0.411 1
2 451 . 4 1 1 A 38 38 GLY C C 33 173.603 173.065 0.538 1
2 452 . 4 1 1 A 39 39 LYS N N 34 117.627 124.043 -6.416 1
2 453 . 4 1 1 A 39 39 LYS H H 34 8.649 8.474 0.175 1
2 454 . 4 1 1 A 39 39 LYS CA C 34 54.563 55.715 -1.152 1
2 455 . 4 1 1 A 39 39 LYS HA H 34 4.394 4.461 -0.067 1
2 456 . 4 1 1 A 39 39 LYS CB C 34 32.892 33.536 -0.644 1
2 468 . 4 1 1 A 39 39 LYS C C 34 176.803 178.122 -1.319 1
2 469 . 4 1 1 A 40 40 LYS N N 35 121.705 124.016 -2.311 1
2 470 . 4 1 1 A 40 40 LYS H H 35 8.920 8.936 -0.016 1
2 471 . 4 1 1 A 40 40 LYS CA C 35 61.559 60.373 1.186 1
2 472 . 4 1 1 A 40 40 LYS HA H 35 3.597 3.916 -0.319 1
2 473 . 4 1 1 A 40 40 LYS CB C 35 31.953 32.102 -0.149 1
2 485 . 4 1 1 A 40 40 LYS C C 35 177.362 177.951 -0.589 1
2 486 . 4 1 1 A 41 41 GLN N N 36 114.637 118.048 -3.411 1
2 487 . 4 1 1 A 41 41 GLN H H 36 9.017 7.913 1.104 1
2 488 . 4 1 1 A 41 41 GLN CA C 36 57.638 59.114 -1.476 1
2 489 . 4 1 1 A 41 41 GLN HA H 36 3.719 4.011 -0.292 1
2 490 . 4 1 1 A 41 41 GLN CB C 36 27.865 28.382 -0.517 1
2 500 . 4 1 1 A 41 41 GLN C C 36 176.975 177.976 -1.001 1
2 501 . 4 1 1 A 42 42 ASP N N 37 115.984 120.127 -4.143 1
2 502 . 4 1 1 A 42 42 ASP H H 37 7.049 8.172 -1.123 1
2 503 . 4 1 1 A 42 42 ASP CA C 37 56.424 57.436 -1.012 1
2 504 . 4 1 1 A 42 42 ASP HA H 37 4.303 4.296 0.007 1
2 505 . 4 1 1 A 42 42 ASP CB C 37 39.955 40.536 -0.581 1
2 508 . 4 1 1 A 42 42 ASP C C 37 178.454 179.035 -0.581 1
2 509 . 4 1 1 A 43 43 LEU N N 38 119.074 120.583 -1.509 1
2 510 . 4 1 1 A 43 43 LEU H H 38 7.725 8.505 -0.780 1
2 511 . 4 1 1 A 43 43 LEU CA C 38 57.716 57.981 -0.265 1
2 512 . 4 1 1 A 43 43 LEU HA H 38 3.794 3.990 -0.196 1
2 513 . 4 1 1 A 43 43 LEU CB C 38 40.211 42.226 -2.015 1
2 526 . 4 1 1 A 43 43 LEU C C 38 177.872 179.014 -1.142 1
2 527 . 4 1 1 A 44 44 ILE N N 39 118.343 118.988 -0.645 1
2 528 . 4 1 1 A 44 44 ILE H H 39 7.867 8.051 -0.184 1
2 529 . 4 1 1 A 44 44 ILE CA C 39 66.211 65.597 0.614 1
2 530 . 4 1 1 A 44 44 ILE HA H 39 3.319 3.521 -0.202 1
2 531 . 4 1 1 A 44 44 ILE CB C 39 37.985 37.770 0.215 1
2 541 . 4 1 1 A 44 44 ILE C C 39 177.711 177.773 -0.062 1
2 542 . 4 1 1 A 45 45 ASP N N 40 118.535 120.715 -2.180 1
2 543 . 4 1 1 A 45 45 ASP H H 40 8.503 8.522 -0.019 1
2 544 . 4 1 1 A 45 45 ASP CA C 40 56.817 57.509 -0.692 1
2 545 . 4 1 1 A 45 45 ASP HA H 40 4.256 4.478 -0.222 1
2 546 . 4 1 1 A 45 45 ASP CB C 40 39.815 40.258 -0.443 1
2 549 . 4 1 1 A 45 45 ASP C C 40 178.464 179.226 -0.762 1
2 550 . 4 1 1 A 46 46 ARG N N 41 120.910 120.119 0.791 1
2 551 . 4 1 1 A 46 46 ARG H H 41 7.717 7.839 -0.122 1
2 552 . 4 1 1 A 46 46 ARG CA C 41 59.054 59.582 -0.528 1
2 553 . 4 1 1 A 46 46 ARG HA H 41 3.993 4.066 -0.073 1
2 554 . 4 1 1 A 46 46 ARG CB C 41 29.778 30.418 -0.640 1
2 563 . 4 1 1 A 46 46 ARG C C 41 177.565 178.814 -1.249 1
2 564 . 4 1 1 A 47 47 VAL N N 42 117.438 119.822 -2.384 1
2 565 . 4 1 1 A 47 47 VAL H H 42 7.445 8.163 -0.718 1
2 566 . 4 1 1 A 47 47 VAL CA C 42 66.095 66.434 -0.339 1
2 567 . 4 1 1 A 47 47 VAL HA H 42 3.446 3.654 -0.208 1
2 568 . 4 1 1 A 47 47 VAL CB C 42 31.113 31.680 -0.567 1
2 578 . 4 1 1 A 47 47 VAL C C 42 177.710 177.955 -0.245 1
2 579 . 4 1 1 A 48 48 LEU N N 43 117.085 118.217 -1.132 1
2 580 . 4 1 1 A 48 48 LEU H H 43 8.466 8.111 0.355 1
2 581 . 4 1 1 A 48 48 LEU CA C 43 57.406 57.916 -0.510 1
2 582 . 4 1 1 A 48 48 LEU HA H 43 3.851 3.926 -0.075 1
2 583 . 4 1 1 A 48 48 LEU CB C 43 40.779 41.323 -0.544 1
2 596 . 4 1 1 A 48 48 LEU C C 43 179.581 179.363 0.218 1
2 597 . 4 1 1 A 49 49 ALA N N 44 120.480 122.278 -1.798 1
2 598 . 4 1 1 A 49 49 ALA H H 44 7.952 8.050 -0.098 1
2 599 . 4 1 1 A 49 49 ALA CA C 44 53.998 54.777 -0.779 1
2 600 . 4 1 1 A 49 49 ALA HA H 44 4.104 4.110 -0.006 1
2 604 . 4 1 1 A 49 49 ALA CB C 44 17.685 18.214 -0.529 1
2 605 . 4 1 1 A 49 49 ALA C C 44 178.926 179.540 -0.614 1
2 606 . 4 1 1 A 50 50 LEU N N 45 115.306 120.336 -5.030 1
2 607 . 4 1 1 A 50 50 LEU H H 45 7.428 7.851 -0.423 1
2 608 . 4 1 1 A 50 50 LEU CA C 45 55.650 57.589 -1.939 1
2 609 . 4 1 1 A 50 50 LEU HA H 45 4.206 4.114 0.092 1
2 610 . 4 1 1 A 50 50 LEU CB C 45 41.937 41.834 0.103 1
2 623 . 4 1 1 A 50 50 LEU C C 45 177.840 178.744 -0.904 1
2 624 . 4 1 1 A 51 51 LEU N N 46 115.880 118.669 -2.789 1
2 625 . 4 1 1 A 51 51 LEU H H 46 7.642 8.276 -0.634 1
2 626 . 4 1 1 A 51 51 LEU CA C 46 54.861 56.550 -1.689 1
2 627 . 4 1 1 A 51 51 LEU HA H 46 4.260 4.138 0.122 1
2 628 . 4 1 1 A 51 51 LEU CB C 46 42.228 41.876 0.352 1
2 638 . 4 1 1 A 51 51 LEU C C 46 176.015 177.857 -1.842 1
2 639 . 4 1 1 A 52 52 THR N N 47 109.201 113.010 -3.809 1
2 640 . 4 1 1 A 52 52 THR H H 47 7.515 7.472 0.043 1
2 641 . 4 1 1 A 52 52 THR CA C 47 60.972 64.751 -3.779 1
2 642 . 4 1 1 A 52 52 THR HA H 47 4.345 4.275 0.070 1
2 643 . 4 1 1 A 52 52 THR CB C 47 69.620 69.371 0.249 1
2 649 . 4 1 1 A 52 52 THR C C 47 173.733 175.630 -1.897 1
2 650 . 4 1 1 A 53 53 ASP N N 48 122.188 119.326 2.862 1
2 651 . 4 1 1 A 53 53 ASP H H 48 8.280 8.281 -0.001 1
2 652 . 4 1 1 A 53 53 ASP CA C 48 54.205 56.573 -2.368 1
2 653 . 4 1 1 A 53 53 ASP HA H 48 4.686 4.464 0.222 1
2 654 . 4 1 1 A 53 53 ASP CB C 48 40.766 40.385 0.381 1
2 658 . 4 1 1 A 53 53 ASP C C 48 176.000 176.760 -0.760 1
2 659 . 4 1 1 A 54 54 GLU N N 49 121.966 118.634 3.332 1
2 660 . 4 1 1 A 54 54 GLU H H 49 8.589 7.762 0.827 1
2 661 . 4 1 1 A 54 54 GLU CA C 49 56.448 55.649 0.799 1
2 662 . 4 1 1 A 54 54 GLU HA H 49 4.234 4.921 -0.687 1
2 663 . 4 1 1 A 54 54 GLU CB C 49 29.642 30.878 -1.236 1
2 669 . 4 1 1 A 54 54 GLU C C 49 176.522 176.911 -0.389 1
2 670 . 4 1 1 A 55 55 GLN N N 50 120.727 119.635 1.092 1
2 671 . 4 1 1 A 55 55 GLN H H 50 8.642 7.497 1.145 1
2 672 . 4 1 1 A 55 55 GLN CA C 50 56.251 55.656 0.595 1
2 673 . 4 1 1 A 55 55 GLN HA H 50 4.217 4.133 0.084 1
2 674 . 4 1 1 A 55 55 GLN CB C 50 28.555 29.135 -0.580 1
2 684 . 4 1 1 A 55 55 GLN C C 50 176.519 176.636 -0.117 1
2 685 . 4 1 1 A 56 56 GLY N N 51 109.357 108.385 0.972 1
2 686 . 4 1 1 A 56 56 GLY H H 51 8.519 7.712 0.807 1
2 687 . 4 1 1 A 56 56 GLY CA C 51 45.276 46.041 -0.765 1
2 688 . 4 1 1 A 56 56 GLY HA2 H 51 3.950 2.951 0.999 1
2 689 . 4 1 1 A 56 56 GLY HA3 H 51 3.809 3.349 0.460 1
2 690 . 4 1 1 A 56 56 GLY C C 51 174.146 174.871 -0.725 1
2 691 . 4 1 1 A 57 57 GLN N N 52 119.207 117.983 1.224 1
2 692 . 4 1 1 A 57 57 GLN H H 52 8.263 8.059 0.204 1
2 693 . 4 1 1 A 57 57 GLN CA C 52 55.572 57.716 -2.144 1
2 694 . 4 1 1 A 57 57 GLN HA H 52 4.203 4.032 0.171 1
2 695 . 4 1 1 A 57 57 GLN CB C 52 28.656 28.900 -0.244 1
2 705 . 4 1 1 A 57 57 GLN C C 52 175.872 176.716 -0.844 1
2 706 . 4 1 1 A 58 58 ARG N N 53 120.525 115.437 5.088 1
2 707 . 4 1 1 A 58 58 ARG H H 53 8.279 7.473 0.806 1
2 708 . 4 1 1 A 58 58 ARG CA C 53 55.883 54.948 0.935 1
2 709 . 4 1 1 A 58 58 ARG HA H 53 4.176 4.542 -0.366 1
2 710 . 4 1 1 A 58 58 ARG CB C 53 30.031 30.008 0.023 1
2 721 . 4 1 1 A 58 58 ARG C C 53 175.820 175.055 0.765 1
2 722 . 4 1 1 A 59 59 HIS N N 54 118.905 119.266 -0.361 1
2 723 . 4 1 1 A 59 59 HIS H H 54 8.398 8.322 0.076 1
2 724 . 4 1 1 A 59 59 HIS CA C 54 54.908 57.117 -2.209 1
2 725 . 4 1 1 A 59 59 HIS HA H 54 4.548 4.770 -0.222 1
2 726 . 4 1 1 A 59 59 HIS CB C 54 28.953 31.877 -2.924 1
2 729 . 4 1 1 A 59 59 HIS C C 54 174.136 174.745 -0.609 1
2 730 . 4 1 1 A 60 60 HIS N N 55 119.527 113.571 5.956 1
2 731 . 4 1 1 A 60 60 HIS H H 55 8.493 7.756 0.737 1
2 732 . 4 1 1 A 60 60 HIS CA C 55 55.274 53.229 2.045 1
2 733 . 4 1 1 A 60 60 HIS HA H 55 4.552 4.247 0.305 1
2 734 . 4 1 1 A 60 60 HIS CB C 55 28.913 29.026 -0.113 1
2 737 . 4 1 1 A 60 60 HIS C C 55 174.595 173.577 1.018 1
2 738 . 4 1 1 A 61 61 GLY N N 56 110.215 108.595 1.620 1
2 739 . 4 1 1 A 61 61 GLY H H 56 8.604 8.328 0.276 1
2 740 . 4 1 1 A 61 61 GLY CA C 56 44.977 46.152 -1.175 1
2 741 . 4 1 1 A 61 61 GLY HA2 H 56 3.956 3.655 0.301 1
2 742 . 4 1 1 A 61 61 GLY HA3 H 56 3.831 3.764 0.067 1
2 743 . 4 1 1 A 61 61 GLY C C 56 173.752 174.279 -0.527 1
2 744 . 4 1 1 A 62 62 TRP N N 57 120.700 122.527 -1.827 1
2 745 . 4 1 1 A 62 62 TRP H H 57 8.175 7.672 0.503 1
2 746 . 4 1 1 A 62 62 TRP CA C 57 56.929 58.049 -1.120 1
2 747 . 4 1 1 A 62 62 TRP HA H 57 4.663 4.621 0.042 1
2 748 . 4 1 1 A 62 62 TRP CB C 57 29.142 30.956 -1.814 1
2 763 . 4 1 1 A 62 62 TRP C C 57 176.442 177.431 -0.989 1
2 764 . 4 1 1 A 63 63 GLY N N 58 110.195 108.446 1.749 1
2 765 . 4 1 1 A 63 63 GLY H H 58 8.452 8.296 0.156 1
2 766 . 4 1 1 A 63 63 GLY CA C 58 45.052 45.411 -0.359 1
2 767 . 4 1 1 A 63 63 GLY HA2 H 58 3.925 4.059 -0.134 1
2 768 . 4 1 1 A 63 63 GLY HA3 H 58 3.833 4.106 -0.273 1
2 769 . 4 1 1 A 63 63 GLY C C 58 173.738 174.935 -1.197 1
2 770 . 4 1 1 A 64 64 ARG N N 59 120.374 119.213 1.161 1
2 771 . 4 1 1 A 64 64 ARG H H 59 8.136 8.306 -0.170 1
2 772 . 4 1 1 A 64 64 ARG CA C 59 55.799 57.235 -1.436 1
2 773 . 4 1 1 A 64 64 ARG HA H 59 4.287 4.247 0.040 1
2 774 . 4 1 1 A 64 64 ARG CB C 59 30.371 29.676 0.695 1
2 785 . 4 1 1 A 64 64 ARG C C 59 176.287 176.643 -0.356 1
2 786 . 4 1 1 A 65 65 LYS N N 60 121.593 117.288 4.305 1
2 787 . 4 1 1 A 65 65 LYS H H 60 8.483 8.023 0.460 1
2 788 . 4 1 1 A 65 65 LYS CA C 60 56.353 57.451 -1.098 1
2 789 . 4 1 1 A 65 65 LYS HA H 60 4.218 4.263 -0.045 1
2 790 . 4 1 1 A 65 65 LYS CB C 60 32.260 33.473 -1.213 1
2 796 . 4 1 1 A 65 65 LYS C C 60 176.102 177.524 -1.422 1
2 797 . 4 1 1 A 66 66 ASN N N 61 118.654 114.292 4.362 1
2 798 . 4 1 1 A 66 66 ASN H H 61 8.413 7.869 0.544 1
2 799 . 4 1 1 A 66 66 ASN CA C 61 53.055 51.996 1.059 1
2 800 . 4 1 1 A 66 66 ASN HA H 61 4.639 4.964 -0.325 1
2 801 . 4 1 1 A 66 66 ASN CB C 61 38.385 39.505 -1.120 1
2 808 . 4 1 1 A 66 66 ASN C C 61 174.531 175.294 -0.763 1
2 809 . 4 1 1 A 67 67 SER N N 62 115.491 113.612 1.879 1
2 810 . 4 1 1 A 67 67 SER H H 62 8.288 8.018 0.270 1
2 811 . 4 1 1 A 67 67 SER CA C 62 57.980 59.123 -1.143 1
2 812 . 4 1 1 A 67 67 SER HA H 62 4.283 4.502 -0.219 1
2 813 . 4 1 1 A 67 67 SER CB C 62 63.205 60.898 2.307 1
2 816 . 4 1 1 A 67 67 SER C C 62 173.864 174.769 -0.905 1
2 817 . 4 1 1 A 68 68 LEU N N 63 123.549 118.563 4.986 1
2 818 . 4 1 1 A 68 68 LEU H H 63 8.063 8.257 -0.194 1
2 819 . 4 1 1 A 68 68 LEU CA C 63 54.098 54.375 -0.277 1
2 820 . 4 1 1 A 68 68 LEU HA H 63 4.481 4.668 -0.187 1
2 821 . 4 1 1 A 68 68 LEU CB C 63 42.494 43.190 -0.696 1
2 834 . 4 1 1 A 68 68 LEU C C 63 176.532 175.775 0.757 1
2 835 . 4 1 1 A 69 69 THR N N 64 112.637 114.270 -1.633 1
2 836 . 4 1 1 A 69 69 THR H H 64 7.797 7.621 0.176 1
2 837 . 4 1 1 A 69 69 THR CA C 64 59.915 60.953 -1.038 1
2 838 . 4 1 1 A 69 69 THR HA H 64 4.490 4.612 -0.122 1
2 839 . 4 1 1 A 69 69 THR CB C 64 70.852 70.804 0.048 1
2 845 . 4 1 1 A 69 69 THR C C 64 174.998 175.550 -0.552 1
2 846 . 4 1 1 A 70 70 LYS N N 65 120.128 123.277 -3.149 1
2 847 . 4 1 1 A 70 70 LYS H H 65 9.059 9.005 0.054 1
2 848 . 4 1 1 A 70 70 LYS CA C 65 59.535 58.992 0.543 1
2 849 . 4 1 1 A 70 70 LYS HA H 65 3.909 3.968 -0.059 1
2 850 . 4 1 1 A 70 70 LYS CB C 65 31.890 32.141 -0.251 1
2 858 . 4 1 1 A 70 70 LYS C C 65 177.536 178.696 -1.160 1
2 859 . 4 1 1 A 71 71 GLU N N 66 117.667 119.773 -2.106 1
2 860 . 4 1 1 A 71 71 GLU H H 66 8.699 8.525 0.174 1
2 861 . 4 1 1 A 71 71 GLU CA C 66 60.199 59.552 0.647 1
2 862 . 4 1 1 A 71 71 GLU HA H 66 3.806 4.065 -0.259 1
2 863 . 4 1 1 A 71 71 GLU CB C 66 27.986 29.426 -1.440 1
2 870 . 4 1 1 A 71 71 GLU C C 66 178.416 179.071 -0.655 1
2 871 . 4 1 1 A 72 72 ALA N N 67 123.924 122.777 1.147 1
2 872 . 4 1 1 A 72 72 ALA H H 67 7.992 7.435 0.557 1
2 873 . 4 1 1 A 72 72 ALA CA C 67 54.477 55.028 -0.551 1
2 874 . 4 1 1 A 72 72 ALA HA H 67 4.110 4.096 0.014 1
2 878 . 4 1 1 A 72 72 ALA CB C 67 18.301 18.547 -0.246 1
2 879 . 4 1 1 A 72 72 ALA C C 67 178.721 179.660 -0.939 1
2 880 . 4 1 1 A 73 73 VAL N N 68 119.434 117.891 1.543 1
2 881 . 4 1 1 A 73 73 VAL H H 68 8.044 8.039 0.005 1
2 882 . 4 1 1 A 73 73 VAL CA C 68 66.089 66.642 -0.553 1
2 883 . 4 1 1 A 73 73 VAL HA H 68 3.473 3.559 -0.086 1
2 884 . 4 1 1 A 73 73 VAL CB C 68 31.150 31.718 -0.568 1
2 894 . 4 1 1 A 73 73 VAL C C 68 177.001 178.501 -1.500 1
2 895 . 4 1 1 A 74 74 ALA N N 69 120.671 121.500 -0.829 1
2 896 . 4 1 1 A 74 74 ALA H H 69 8.407 8.413 -0.006 1
2 897 . 4 1 1 A 74 74 ALA CA C 69 54.727 55.102 -0.375 1
2 898 . 4 1 1 A 74 74 ALA HA H 69 3.968 4.107 -0.139 1
2 902 . 4 1 1 A 74 74 ALA CB C 69 18.066 18.036 0.030 1
2 903 . 4 1 1 A 74 74 ALA C C 69 178.820 179.514 -0.694 1
2 904 . 4 1 1 A 75 75 LYS N N 70 118.624 118.076 0.548 1
2 905 . 4 1 1 A 75 75 LYS H H 70 7.930 7.888 0.042 1
2 906 . 4 1 1 A 75 75 LYS CA C 70 58.807 60.082 -1.275 1
2 907 . 4 1 1 A 75 75 LYS HA H 70 4.086 3.988 0.098 1
2 908 . 4 1 1 A 75 75 LYS CB C 70 31.776 32.216 -0.440 1
2 918 . 4 1 1 A 75 75 LYS C C 70 177.424 178.636 -1.212 1
2 919 . 4 1 1 A 76 76 ILE N N 71 120.234 119.579 0.655 1
2 920 . 4 1 1 A 76 76 ILE H H 71 7.478 7.913 -0.435 1
2 921 . 4 1 1 A 76 76 ILE CA C 71 64.885 64.980 -0.095 1
2 922 . 4 1 1 A 76 76 ILE HA H 71 3.960 3.650 0.310 1
2 923 . 4 1 1 A 76 76 ILE CB C 71 37.810 37.866 -0.056 1
2 936 . 4 1 1 A 76 76 ILE C C 71 179.734 177.662 2.072 1
2 937 . 4 1 1 A 77 77 VAL N N 72 122.502 119.526 2.976 1
2 938 . 4 1 1 A 77 77 VAL H H 72 8.325 7.860 0.465 1
2 939 . 4 1 1 A 77 77 VAL CA C 72 67.450 66.476 0.974 1
2 940 . 4 1 1 A 77 77 VAL HA H 72 3.576 3.453 0.123 1
2 941 . 4 1 1 A 77 77 VAL CB C 72 30.928 31.564 -0.636 1
2 951 . 4 1 1 A 77 77 VAL C C 72 176.906 177.996 -1.090 1
2 952 . 4 1 1 A 78 78 ASP N N 73 120.524 120.744 -0.220 1
2 953 . 4 1 1 A 78 78 ASP H H 73 8.798 8.349 0.449 1
2 954 . 4 1 1 A 78 78 ASP CA C 73 58.206 57.735 0.471 1
2 955 . 4 1 1 A 78 78 ASP HA H 73 4.379 4.406 -0.027 1
2 956 . 4 1 1 A 78 78 ASP CB C 73 41.420 41.387 0.033 1
2 960 . 4 1 1 A 78 78 ASP C C 73 178.068 178.244 -0.176 1
2 961 . 4 1 1 A 79 79 ASP N N 74 119.761 119.981 -0.220 1
2 962 . 4 1 1 A 79 79 ASP H H 74 9.318 8.035 1.283 1
2 963 . 4 1 1 A 79 79 ASP CA C 74 57.025 57.522 -0.497 1
2 964 . 4 1 1 A 79 79 ASP HA H 74 4.404 4.324 0.080 1
2 965 . 4 1 1 A 79 79 ASP CB C 74 40.007 40.554 -0.547 1
2 969 . 4 1 1 A 79 79 ASP C C 74 178.813 178.967 -0.154 1
2 970 . 4 1 1 A 80 80 THR N N 75 117.342 116.422 0.920 1
2 971 . 4 1 1 A 80 80 THR H H 75 8.084 8.047 0.037 1
2 972 . 4 1 1 A 80 80 THR CA C 75 66.977 66.287 0.690 1
2 973 . 4 1 1 A 80 80 THR HA H 75 3.826 3.735 0.091 1
2 974 . 4 1 1 A 80 80 THR CB C 75 67.725 68.122 -0.397 1
2 980 . 4 1 1 A 80 80 THR C C 75 175.367 176.010 -0.643 1
2 981 . 4 1 1 A 81 81 TYR N N 76 123.732 120.929 2.803 1
2 982 . 4 1 1 A 81 81 TYR H H 76 8.830 8.526 0.304 1
2 983 . 4 1 1 A 81 81 TYR CA C 76 61.713 61.835 -0.122 1
2 984 . 4 1 1 A 81 81 TYR HA H 76 4.265 4.445 -0.180 1
2 985 . 4 1 1 A 81 81 TYR CB C 76 38.849 39.017 -0.168 1
2 994 . 4 1 1 A 81 81 TYR C C 76 176.700 177.776 -1.076 1
2 995 . 4 1 1 A 82 82 ARG N N 77 118.508 117.634 0.874 1
2 996 . 4 1 1 A 82 82 ARG H H 77 8.754 8.753 0.001 1
2 997 . 4 1 1 A 82 82 ARG CA C 77 58.792 59.824 -1.032 1
2 998 . 4 1 1 A 82 82 ARG HA H 77 3.890 4.084 -0.194 1
2 999 . 4 1 1 A 82 82 ARG CB C 77 29.498 29.894 -0.396 1
2 1015 . 4 1 1 A 82 82 ARG C C 77 178.748 178.815 -0.067 1
2 1016 . 4 1 1 A 83 83 LYS N N 78 118.079 119.227 -1.148 1
2 1017 . 4 1 1 A 83 83 LYS H H 78 7.696 7.924 -0.228 1
2 1018 . 4 1 1 A 83 83 LYS CA C 78 58.671 59.056 -0.385 1
2 1019 . 4 1 1 A 83 83 LYS HA H 78 4.024 4.197 -0.173 1
2 1020 . 4 1 1 A 83 83 LYS CB C 78 32.057 31.722 0.335 1
2 1026 . 4 1 1 A 83 83 LYS C C 78 177.743 178.722 -0.979 1
2 1027 . 4 1 1 A 84 84 MET N N 79 118.241 119.669 -1.428 1
2 1028 . 4 1 1 A 84 84 MET H H 79 7.748 8.060 -0.312 1
2 1029 . 4 1 1 A 84 84 MET CA C 79 57.209 58.550 -1.341 1
2 1030 . 4 1 1 A 84 84 MET HA H 79 4.170 4.269 -0.099 1
2 1031 . 4 1 1 A 84 84 MET CB C 79 32.320 33.067 -0.747 1
2 1041 . 4 1 1 A 84 84 MET C C 79 177.036 176.973 0.063 1
2 1042 . 4 1 1 A 85 85 GLN N N 80 117.242 117.489 -0.247 1
2 1043 . 4 1 1 A 85 85 GLN H H 80 7.843 8.089 -0.246 1
2 1044 . 4 1 1 A 85 85 GLN CA C 80 56.523 55.136 1.387 1
2 1045 . 4 1 1 A 85 85 GLN HA H 80 3.993 4.548 -0.555 1
2 1046 . 4 1 1 A 85 85 GLN CB C 80 28.240 29.954 -1.714 1
2 1056 . 4 1 1 A 85 85 GLN C C 80 176.690 175.390 1.300 1
2 1057 . 4 1 1 A 86 86 ILE N N 81 119.178 117.900 1.278 1
2 1058 . 4 1 1 A 86 86 ILE H H 81 7.715 7.777 -0.062 1
2 1059 . 4 1 1 A 86 86 ILE CA C 81 62.073 62.537 -0.464 1
2 1060 . 4 1 1 A 86 86 ILE HA H 81 3.934 3.694 0.240 1
2 1061 . 4 1 1 A 86 86 ILE CB C 81 37.966 36.314 1.652 1
2 1074 . 4 1 1 A 86 86 ILE C C 81 176.673 174.964 1.709 1
2 1075 . 4 1 1 A 87 87 GLN N N 82 121.386 120.129 1.257 1
2 1076 . 4 1 1 A 87 87 GLN H H 82 8.164 7.876 0.288 1
2 1077 . 4 1 1 A 87 87 GLN CA C 82 55.968 55.266 0.702 1
2 1078 . 4 1 1 A 87 87 GLN HA H 82 4.214 4.299 -0.085 1
2 1079 . 4 1 1 A 87 87 GLN CB C 82 28.735 29.837 -1.102 1
2 1088 . 4 1 1 A 87 87 GLN C C 82 175.836 176.060 -0.224 1
2 1089 . 4 1 1 A 88 88 CYS N N 83 118.663 119.764 -1.101 1
2 1090 . 4 1 1 A 88 88 CYS H H 83 8.238 8.632 -0.394 1
2 1091 . 4 1 1 A 88 88 CYS CA C 83 57.997 59.889 -1.892 1
2 1092 . 4 1 1 A 88 88 CYS HA H 83 4.467 3.867 0.600 1
2 1093 . 4 1 1 A 88 88 CYS CB C 83 27.582 25.823 1.759 1
2 1096 . 4 1 1 A 88 88 CYS C C 83 173.432 173.731 -0.299 1
2 1097 . 4 1 1 A 89 89 ALA N N 84 127.014 122.594 4.420 1
2 1098 . 4 1 1 A 89 89 ALA H H 84 8.249 7.639 0.610 1
2 1099 . 4 1 1 A 89 89 ALA CA C 84 50.607 49.394 1.213 1
2 1100 . 4 1 1 A 89 89 ALA HA H 84 4.544 4.639 -0.095 1
2 1104 . 4 1 1 A 89 89 ALA CB C 84 17.658 19.013 -1.355 1
2 1105 . 4 1 1 A 89 89 ALA C C 84 175.125 175.560 -0.435 1
2 1107 . 4 1 1 A 90 90 PRO CA C 85 62.995 63.485 -0.490 1
2 1108 . 4 1 1 A 90 90 PRO HA H 85 4.373 4.442 -0.069 1
2 1109 . 4 1 1 A 90 90 PRO CB C 85 31.692 32.111 -0.419 1
2 1117 . 4 1 1 A 90 90 PRO C C 85 176.407 176.966 -0.559 1
2 1118 . 4 1 1 A 91 91 ASP N N 86 119.209 118.734 0.475 1
2 1119 . 4 1 1 A 91 91 ASP H H 86 8.429 8.090 0.339 1
2 1120 . 4 1 1 A 91 91 ASP CA C 86 53.752 54.852 -1.100 1
2 1121 . 4 1 1 A 91 91 ASP HA H 86 4.394 4.329 0.065 1
2 1122 . 4 1 1 A 91 91 ASP CB C 86 40.319 39.065 1.254 1
2 1125 . 4 1 1 A 91 91 ASP C C 86 176.101 176.131 -0.030 1
2 1126 . 4 1 1 A 92 92 LEU N N 87 122.571 123.237 -0.666 1
2 1127 . 4 1 1 A 92 92 LEU H H 87 8.208 8.034 0.174 1
2 1128 . 4 1 1 A 92 92 LEU CA C 87 55.286 57.031 -1.745 1
2 1129 . 4 1 1 A 92 92 LEU HA H 87 4.204 4.009 0.195 1
2 1130 . 4 1 1 A 92 92 LEU CB C 87 41.786 41.883 -0.097 1
2 1143 . 4 1 1 A 92 92 LEU C C 87 177.406 176.435 0.971 1
2 1144 . 4 1 1 A 93 93 ALA N N 88 123.131 120.600 2.531 1
2 1145 . 4 1 1 A 93 93 ALA H H 88 8.305 7.591 0.714 1
2 1146 . 4 1 1 A 93 93 ALA CA C 88 52.876 53.157 -0.281 1
2 1147 . 4 1 1 A 93 93 ALA HA H 88 4.263 3.947 0.316 1
2 1151 . 4 1 1 A 93 93 ALA CB C 88 18.672 17.295 1.377 1
2 1152 . 4 1 1 A 93 93 ALA C C 88 178.033 176.325 1.708 1
2 1153 . 4 1 1 A 94 94 THR N N 89 112.097 102.213 9.884 1
2 1154 . 4 1 1 A 94 94 THR H H 89 7.994 8.252 -0.258 1
2 1155 . 4 1 1 A 94 94 THR CA C 89 61.640 63.074 -1.434 1
2 1156 . 4 1 1 A 94 94 THR HA H 89 4.251 3.943 0.308 1
2 1157 . 4 1 1 A 94 94 THR CB C 89 69.063 66.709 2.354 1
2 1163 . 4 1 1 A 94 94 THR C C 89 174.493 173.843 0.650 1
2 1164 . 4 1 1 A 95 95 ARG N N 90 122.704 113.280 9.424 1
2 1165 . 4 1 1 A 95 95 ARG H H 90 8.211 8.091 0.120 1
2 1166 . 4 1 1 A 95 95 ARG CA C 90 55.718 57.413 -1.695 1
2 1167 . 4 1 1 A 95 95 ARG HA H 90 4.324 3.641 0.683 1
2 1168 . 4 1 1 A 95 95 ARG CB C 90 30.309 27.205 3.104 1
2 1179 . 4 1 1 A 95 95 ARG C C 90 175.927 174.671 1.256 1
2 1180 . 4 1 1 A 96 96 SER N N 91 116.390 114.791 1.599 1
2 1181 . 4 1 1 A 96 96 SER H H 91 8.365 8.299 0.066 1
2 1182 . 4 1 1 A 96 96 SER CA C 91 57.823 57.699 0.124 1
2 1183 . 4 1 1 A 96 96 SER HA H 91 4.356 4.571 -0.215 1
2 1184 . 4 1 1 A 96 96 SER CB C 91 63.214 61.873 1.341 1
2 1187 . 4 1 1 A 96 96 SER C C 91 174.011 174.413 -0.402 1
2 1188 . 4 1 1 A 97 97 HIS N N 92 120.507 119.739 0.768 1
2 1189 . 4 1 1 A 97 97 HIS H H 92 8.541 9.081 -0.540 1
2 1190 . 4 1 1 A 97 97 HIS CA C 92 54.960 54.607 0.353 1
2 1191 . 4 1 1 A 97 97 HIS HA H 92 4.704 4.890 -0.186 1
2 1192 . 4 1 1 A 97 97 HIS CB C 92 28.518 29.042 -0.524 1
2 1197 . 4 1 1 A 97 97 HIS C C 92 174.186 174.298 -0.112 1
2 1198 . 4 1 1 A 98 98 SER N N 93 116.801 111.037 5.764 1
2 1199 . 4 1 1 A 98 98 SER H H 93 8.455 8.224 0.231 1
2 1200 . 4 1 1 A 98 98 SER CA C 93 57.880 59.332 -1.452 1
2 1201 . 4 1 1 A 98 98 SER HA H 93 4.445 4.091 0.354 1
2 1202 . 4 1 1 A 98 98 SER CB C 93 63.434 61.566 1.868 1
2 1205 . 4 1 1 A 98 98 SER C C 93 174.508 173.899 0.609 1
2 1206 . 4 1 1 A 99 99 GLY N N 94 111.114 111.058 0.056 1
2 1207 . 4 1 1 A 99 99 GLY H H 94 8.597 8.433 0.164 1
2 1208 . 4 1 1 A 99 99 GLY CA C 94 44.888 45.177 -0.289 1
2 1209 . 4 1 1 A 99 99 GLY HA2 H 94 3.998 4.063 -0.065 1
2 1210 . 4 1 1 A 99 99 GLY HA3 H 94 3.998 4.182 -0.184 1
2 1211 . 4 1 1 A 99 99 GLY C C 94 173.856 174.641 -0.785 1
2 1212 . 4 1 1 A 100 100 SER N N 95 115.398 113.341 2.057 1
2 1213 . 4 1 1 A 100 100 SER H H 95 8.311 8.083 0.228 1
2 1214 . 4 1 1 A 100 100 SER CA C 95 57.888 57.488 0.400 1
2 1215 . 4 1 1 A 100 100 SER HA H 95 4.408 4.795 -0.387 1
2 1216 . 4 1 1 A 100 100 SER CB C 95 63.328 63.962 -0.634 1
2 1219 . 4 1 1 A 100 100 SER C C 95 173.725 174.473 -0.748 1
2 1220 . 4 1 1 A 101 101 ASP N N 96 121.810 120.414 1.396 1
2 1221 . 4 1 1 A 101 101 ASP H H 96 8.380 8.144 0.236 1
2 1222 . 4 1 1 A 101 101 ASP CA C 96 53.813 54.294 -0.481 1
2 1223 . 4 1 1 A 101 101 ASP HA H 96 4.536 4.903 -0.367 1
2 1224 . 4 1 1 A 101 101 ASP CB C 96 40.438 42.238 -1.800 1
2 1227 . 4 1 1 A 101 101 ASP C C 96 175.524 176.459 -0.935 1
2 1228 . 4 1 1 A 102 102 PHE N N 97 120.706 117.193 3.513 1
2 1229 . 4 1 1 A 102 102 PHE H H 97 8.249 8.140 0.109 1
2 1230 . 4 1 1 A 102 102 PHE CA C 97 57.323 57.288 0.035 1
2 1231 . 4 1 1 A 102 102 PHE HA H 97 4.527 4.634 -0.107 1
2 1232 . 4 1 1 A 102 102 PHE CB C 97 38.989 38.765 0.224 1
2 1238 . 4 1 1 A 102 102 PHE C C 97 175.246 175.337 -0.091 1
2 1239 . 4 1 1 A 103 103 SER N N 98 116.992 117.051 -0.059 1
2 1240 . 4 1 1 A 103 103 SER H H 98 8.167 7.813 0.354 1
2 1241 . 4 1 1 A 103 103 SER CA C 98 57.883 57.259 0.624 1
2 1242 . 4 1 1 A 103 103 SER HA H 98 4.317 4.850 -0.533 1
2 1243 . 4 1 1 A 103 103 SER CB C 98 63.301 62.112 1.189 1
2 1246 . 4 1 1 A 103 103 SER C C 98 173.244 174.623 -1.379 1
2 1247 . 4 1 1 A 104 104 PHE N N 99 122.000 121.830 0.170 1
2 1248 . 4 1 1 A 104 104 PHE H H 99 8.170 8.609 -0.439 1
2 1249 . 4 1 1 A 104 104 PHE CA C 99 57.236 58.539 -1.303 1
2 1250 . 4 1 1 A 104 104 PHE HA H 99 4.529 4.140 0.389 1
2 1251 . 4 1 1 A 104 104 PHE CB C 99 38.997 37.118 1.879 1
2 1257 . 4 1 1 A 104 104 PHE C C 99 174.632 175.629 -0.997 1
2 1258 . 4 1 1 A 105 105 ARG N N 100 124.796 117.274 7.522 1
2 1259 . 4 1 1 A 105 105 ARG H H 100 8.101 7.704 0.397 1
2 1260 . 4 1 1 A 105 105 ARG CA C 100 52.969 55.289 -2.320 1
2 1261 . 4 1 1 A 105 105 ARG HA H 100 4.516 4.452 0.064 1
2 1262 . 4 1 1 A 105 105 ARG CB C 100 30.069 30.529 -0.460 1
2 1271 . 4 1 1 A 105 105 ARG C C 100 172.924 175.440 -2.516 1
2 1273 . 4 1 1 A 106 106 PRO CA C 101 62.673 62.660 0.013 1
2 1274 . 4 1 1 A 106 106 PRO HA H 101 4.351 4.518 -0.167 1
2 1275 . 4 1 1 A 106 106 PRO CB C 101 31.726 30.577 1.149 1
2 1283 . 4 1 1 A 106 106 PRO C C 101 176.395 176.120 0.275 1
2 1284 . 4 1 1 A 107 107 ILE N N 102 121.380 123.670 -2.290 1
2 1285 . 4 1 1 A 107 107 ILE H H 102 8.350 8.075 0.275 1
2 1286 . 4 1 1 A 107 107 ILE CA C 102 60.940 60.456 0.484 1
2 1287 . 4 1 1 A 107 107 ILE HA H 102 4.039 4.436 -0.397 1
2 1288 . 4 1 1 A 107 107 ILE CB C 102 38.204 38.396 -0.192 1
2 1301 . 4 1 1 A 107 107 ILE C C 102 175.990 175.277 0.713 1
2 1302 . 4 1 1 A 108 108 GLU N N 103 124.836 118.173 6.663 1
2 1303 . 4 1 1 A 108 108 GLU H H 103 8.578 8.004 0.574 1
2 1304 . 4 1 1 A 108 108 GLU CA C 103 55.883 57.485 -1.602 1
2 1305 . 4 1 1 A 108 108 GLU HA H 103 4.280 3.858 0.422 1
2 1306 . 4 1 1 A 108 108 GLU CB C 103 29.902 27.440 2.462 1
2 1312 . 4 1 1 A 108 108 GLU C C 103 175.670 175.401 0.269 1
2 1313 . 4 1 1 A 109 109 GLU N N 104 122.847 119.342 3.505 1
2 1314 . 4 1 1 A 109 109 GLU H H 104 8.459 8.124 0.335 1
2 1315 . 4 1 1 A 109 109 GLU CA C 104 55.902 55.288 0.614 1
2 1316 . 4 1 1 A 109 109 GLU HA H 104 4.267 4.444 -0.177 1
2 1317 . 4 1 1 A 109 109 GLU CB C 104 29.985 27.874 2.111 1
2 1322 . 4 1 1 A 109 109 GLU C C 104 174.661 175.839 -1.178 1
2 3 . 5 1 1 A 2 2 SER N N -4 115.528 110.145 5.383 1
2 4 . 5 1 1 A 2 2 SER H H -4 8.751 7.947 0.804 1
2 5 . 5 1 1 A 2 2 SER CA C -4 57.687 58.113 -0.426 1
2 6 . 5 1 1 A 2 2 SER HA H -4 4.451 4.416 0.035 1
2 7 . 5 1 1 A 2 2 SER CB C -4 63.389 64.295 -0.906 1
2 8 . 5 1 1 A 2 2 SER C C -4 173.913 173.791 0.122 1
2 9 . 5 1 1 A 3 3 HIS N N -3 120.998 116.297 4.701 1
2 10 . 5 1 1 A 3 3 HIS H H -3 8.769 7.937 0.832 1
2 11 . 5 1 1 A 3 3 HIS CA C -3 55.010 54.583 0.427 1
2 12 . 5 1 1 A 3 3 HIS HA H -3 4.707 4.918 -0.211 1
2 13 . 5 1 1 A 3 3 HIS CB C -3 28.916 30.733 -1.817 1
2 16 . 5 1 1 A 3 3 HIS C C -3 174.207 172.932 1.275 1
2 17 . 5 1 1 A 4 4 MET N N -2 122.227 123.954 -1.727 1
2 18 . 5 1 1 A 4 4 MET H H -2 8.518 8.639 -0.121 1
2 19 . 5 1 1 A 4 4 MET CA C -2 55.014 54.283 0.731 1
2 20 . 5 1 1 A 4 4 MET HA H -2 4.418 4.779 -0.361 1
2 21 . 5 1 1 A 4 4 MET CB C -2 32.678 33.276 -0.598 1
2 31 . 5 1 1 A 4 4 MET C C -2 175.481 175.633 -0.152 1
2 49 . 5 1 1 A 7 7 ALA N N 2 124.549 122.770 1.779 1
2 50 . 5 1 1 A 7 7 ALA H H 2 8.453 8.289 0.164 1
2 51 . 5 1 1 A 7 7 ALA CA C 2 53.221 54.943 -1.722 1
2 52 . 5 1 1 A 7 7 ALA HA H 2 4.194 4.046 0.148 1
2 56 . 5 1 1 A 7 7 ALA CB C 2 18.431 18.189 0.242 1
2 57 . 5 1 1 A 7 7 ALA C C 2 178.162 178.960 -0.798 1
2 58 . 5 1 1 A 8 8 ASP N N 3 118.618 118.807 -0.189 1
2 59 . 5 1 1 A 8 8 ASP H H 3 8.064 8.003 0.061 1
2 60 . 5 1 1 A 8 8 ASP CA C 3 54.124 57.098 -2.974 1
2 61 . 5 1 1 A 8 8 ASP HA H 3 4.539 4.404 0.135 1
2 62 . 5 1 1 A 8 8 ASP CB C 3 40.341 41.025 -0.684 1
2 65 . 5 1 1 A 8 8 ASP C C 3 176.694 178.452 -1.758 1
2 66 . 5 1 1 A 9 9 LEU N N 4 123.427 120.500 2.927 1
2 67 . 5 1 1 A 9 9 LEU H H 4 8.202 7.644 0.558 1
2 68 . 5 1 1 A 9 9 LEU CA C 4 57.495 57.947 -0.452 1
2 69 . 5 1 1 A 9 9 LEU HA H 4 4.086 4.050 0.036 1
2 70 . 5 1 1 A 9 9 LEU CB C 4 41.905 41.639 0.266 1
2 82 . 5 1 1 A 9 9 LEU C C 4 178.839 178.716 0.123 1
2 83 . 5 1 1 A 10 10 VAL N N 5 119.385 119.211 0.174 1
2 84 . 5 1 1 A 10 10 VAL H H 5 8.186 8.365 -0.179 1
2 85 . 5 1 1 A 10 10 VAL CA C 5 66.585 66.642 -0.057 1
2 86 . 5 1 1 A 10 10 VAL HA H 5 3.420 3.497 -0.077 1
2 87 . 5 1 1 A 10 10 VAL CB C 5 31.177 31.554 -0.377 1
2 97 . 5 1 1 A 10 10 VAL C C 5 177.439 178.199 -0.760 1
2 98 . 5 1 1 A 11 11 SER N N 6 115.027 115.509 -0.482 1
2 99 . 5 1 1 A 11 11 SER H H 6 8.252 8.085 0.167 1
2 100 . 5 1 1 A 11 11 SER CA C 6 61.152 61.638 -0.486 1
2 101 . 5 1 1 A 11 11 SER HA H 6 4.055 4.030 0.025 1
2 102 . 5 1 1 A 11 11 SER CB C 6 62.161 62.883 -0.722 1
2 105 . 5 1 1 A 11 11 SER C C 6 176.036 177.149 -1.113 1
2 106 . 5 1 1 A 12 12 SER N N 7 115.144 115.217 -0.073 1
2 107 . 5 1 1 A 12 12 SER H H 7 8.053 7.975 0.078 1
2 108 . 5 1 1 A 12 12 SER CA C 7 60.168 61.643 -1.475 1
2 109 . 5 1 1 A 12 12 SER HA H 7 4.284 4.095 0.189 1
2 110 . 5 1 1 A 12 12 SER CB C 7 62.706 62.888 -0.182 1
2 113 . 5 1 1 A 12 12 SER C C 7 176.540 177.290 -0.750 1
2 114 . 5 1 1 A 13 13 CYS N N 8 118.211 119.141 -0.930 1
2 115 . 5 1 1 A 13 13 CYS H H 8 7.919 8.406 -0.487 1
2 116 . 5 1 1 A 13 13 CYS CA C 8 63.651 64.013 -0.362 1
2 117 . 5 1 1 A 13 13 CYS HA H 8 4.026 4.150 -0.124 1
2 118 . 5 1 1 A 13 13 CYS CB C 8 26.641 26.870 -0.229 1
2 121 . 5 1 1 A 13 13 CYS C C 8 175.645 177.075 -1.430 1
2 122 . 5 1 1 A 14 14 LYS N N 9 120.074 121.356 -1.282 1
2 123 . 5 1 1 A 14 14 LYS H H 9 8.632 8.104 0.528 1
2 124 . 5 1 1 A 14 14 LYS CA C 9 60.441 59.674 0.767 1
2 125 . 5 1 1 A 14 14 LYS HA H 9 3.672 3.974 -0.302 1
2 126 . 5 1 1 A 14 14 LYS CB C 9 31.685 32.050 -0.365 1
2 138 . 5 1 1 A 14 14 LYS C C 9 177.615 177.851 -0.236 1
2 139 . 5 1 1 A 15 15 ASP N N 10 117.613 119.492 -1.879 1
2 140 . 5 1 1 A 15 15 ASP H H 10 7.732 8.157 -0.425 1
2 141 . 5 1 1 A 15 15 ASP CA C 10 56.175 57.331 -1.156 1
2 142 . 5 1 1 A 15 15 ASP HA H 10 4.307 4.229 0.078 1
2 143 . 5 1 1 A 15 15 ASP CB C 10 40.056 41.639 -1.583 1
2 146 . 5 1 1 A 15 15 ASP C C 10 177.650 178.539 -0.889 1
2 147 . 5 1 1 A 16 16 LYS N N 11 117.878 119.167 -1.289 1
2 148 . 5 1 1 A 16 16 LYS H H 11 7.254 7.816 -0.562 1
2 149 . 5 1 1 A 16 16 LYS CA C 11 58.962 59.040 -0.078 1
2 150 . 5 1 1 A 16 16 LYS HA H 11 3.645 3.666 -0.021 1
2 151 . 5 1 1 A 16 16 LYS CB C 11 32.951 32.079 0.872 1
2 160 . 5 1 1 A 16 16 LYS C C 11 177.263 178.282 -1.019 1
2 161 . 5 1 1 A 17 17 LEU N N 12 115.652 121.729 -6.077 1
2 162 . 5 1 1 A 17 17 LEU H H 12 8.138 8.482 -0.344 1
2 163 . 5 1 1 A 17 17 LEU CA C 12 56.726 58.132 -1.406 1
2 164 . 5 1 1 A 17 17 LEU HA H 12 3.579 4.221 -0.642 1
2 165 . 5 1 1 A 17 17 LEU CB C 12 41.959 41.514 0.445 1
2 176 . 5 1 1 A 17 17 LEU C C 12 177.485 178.539 -1.054 1
2 177 . 5 1 1 A 18 18 ALA N N 13 116.044 120.863 -4.819 1
2 178 . 5 1 1 A 18 18 ALA H H 13 7.080 8.538 -1.458 1
2 179 . 5 1 1 A 18 18 ALA CA C 13 53.389 54.604 -1.215 1
2 180 . 5 1 1 A 18 18 ALA HA H 13 3.963 4.113 -0.150 1
2 184 . 5 1 1 A 18 18 ALA CB C 13 18.161 18.501 -0.340 1
2 185 . 5 1 1 A 18 18 ALA C C 13 178.207 179.795 -1.588 1
2 186 . 5 1 1 A 19 19 TYR N N 14 115.556 119.064 -3.508 1
2 187 . 5 1 1 A 19 19 TYR H H 14 7.675 7.594 0.081 1
2 188 . 5 1 1 A 19 19 TYR CA C 14 58.647 59.677 -1.030 1
2 189 . 5 1 1 A 19 19 TYR HA H 14 4.304 4.153 0.151 1
2 190 . 5 1 1 A 19 19 TYR CB C 14 38.609 39.053 -0.444 1
2 199 . 5 1 1 A 19 19 TYR C C 14 175.911 175.837 0.074 1
2 200 . 5 1 1 A 20 20 PHE N N 15 118.275 119.525 -1.250 1
2 201 . 5 1 1 A 20 20 PHE H H 15 7.406 7.635 -0.229 1
2 202 . 5 1 1 A 20 20 PHE CA C 15 56.615 56.787 -0.172 1
2 203 . 5 1 1 A 20 20 PHE HA H 15 4.649 4.830 -0.181 1
2 204 . 5 1 1 A 20 20 PHE CB C 15 38.750 40.707 -1.957 1
2 215 . 5 1 1 A 20 20 PHE C C 15 176.160 175.990 0.170 1
2 216 . 5 1 1 A 21 21 ARG N N 16 119.140 124.177 -5.037 1
2 217 . 5 1 1 A 21 21 ARG H H 16 8.714 8.363 0.351 1
2 218 . 5 1 1 A 21 21 ARG CA C 16 54.349 56.101 -1.752 1
2 219 . 5 1 1 A 21 21 ARG HA H 16 4.751 4.267 0.484 1
2 220 . 5 1 1 A 21 21 ARG CB C 16 30.097 31.690 -1.593 1
2 236 . 5 1 1 A 21 21 ARG C C 16 177.095 177.628 -0.533 1
2 237 . 5 1 1 A 22 22 ILE N N 17 120.734 124.939 -4.205 1
2 238 . 5 1 1 A 22 22 ILE H H 17 8.708 8.814 -0.106 1
2 239 . 5 1 1 A 22 22 ILE CA C 17 65.145 64.739 0.406 1
2 240 . 5 1 1 A 22 22 ILE HA H 17 3.720 3.723 -0.003 1
2 241 . 5 1 1 A 22 22 ILE CB C 17 36.857 37.605 -0.748 1
2 254 . 5 1 1 A 22 22 ILE C C 17 176.745 177.917 -1.172 1
2 255 . 5 1 1 A 23 23 LYS N N 18 118.184 121.564 -3.380 1
2 256 . 5 1 1 A 23 23 LYS H H 18 8.267 8.242 0.025 1
2 257 . 5 1 1 A 23 23 LYS CA C 18 59.829 59.909 -0.080 1
2 258 . 5 1 1 A 23 23 LYS HA H 18 3.897 3.919 -0.022 1
2 259 . 5 1 1 A 23 23 LYS CB C 18 32.268 32.325 -0.057 1
2 271 . 5 1 1 A 23 23 LYS C C 18 178.159 178.749 -0.590 1
2 272 . 5 1 1 A 24 24 GLU N N 19 117.654 119.189 -1.535 1
2 273 . 5 1 1 A 24 24 GLU H H 19 7.198 7.914 -0.716 1
2 274 . 5 1 1 A 24 24 GLU CA C 19 60.612 59.224 1.388 1
2 275 . 5 1 1 A 24 24 GLU HA H 19 4.030 4.031 -0.001 1
2 276 . 5 1 1 A 24 24 GLU CB C 19 28.859 29.498 -0.639 1
2 282 . 5 1 1 A 24 24 GLU C C 19 178.521 179.315 -0.794 1
2 283 . 5 1 1 A 25 25 LEU N N 20 119.236 120.213 -0.977 1
2 284 . 5 1 1 A 25 25 LEU H H 20 7.980 8.323 -0.343 1
2 285 . 5 1 1 A 25 25 LEU CA C 20 57.676 57.956 -0.280 1
2 286 . 5 1 1 A 25 25 LEU HA H 20 3.904 4.023 -0.119 1
2 287 . 5 1 1 A 25 25 LEU CB C 20 42.218 40.560 1.658 1
2 294 . 5 1 1 A 25 25 LEU C C 20 177.990 179.038 -1.048 1
2 295 . 5 1 1 A 26 26 LYS N N 21 117.457 121.234 -3.777 1
2 296 . 5 1 1 A 26 26 LYS H H 21 8.770 8.417 0.353 1
2 297 . 5 1 1 A 26 26 LYS CA C 21 60.660 59.879 0.781 1
2 298 . 5 1 1 A 26 26 LYS HA H 21 3.787 3.977 -0.190 1
2 299 . 5 1 1 A 26 26 LYS CB C 21 31.876 32.177 -0.301 1
2 300 . 5 1 1 A 26 26 LYS C C 21 177.625 178.751 -1.126 1
2 301 . 5 1 1 A 27 27 ASP N N 22 119.023 119.800 -0.777 1
2 302 . 5 1 1 A 27 27 ASP H H 22 7.671 8.008 -0.337 1
2 303 . 5 1 1 A 27 27 ASP CA C 22 56.974 57.175 -0.201 1
2 304 . 5 1 1 A 27 27 ASP HA H 22 4.392 4.472 -0.080 1
2 305 . 5 1 1 A 27 27 ASP CB C 22 40.250 40.692 -0.442 1
2 308 . 5 1 1 A 27 27 ASP C C 22 180.796 178.808 1.988 1
2 309 . 5 1 1 A 28 28 ILE N N 23 119.318 120.188 -0.870 1
2 310 . 5 1 1 A 28 28 ILE H H 23 8.039 7.781 0.258 1
2 311 . 5 1 1 A 28 28 ILE CA C 23 65.365 65.675 -0.310 1
2 312 . 5 1 1 A 28 28 ILE HA H 23 3.587 3.649 -0.062 1
2 313 . 5 1 1 A 28 28 ILE CB C 23 37.408 38.180 -0.772 1
2 326 . 5 1 1 A 28 28 ILE C C 23 177.265 178.297 -1.032 1
2 327 . 5 1 1 A 29 29 LEU N N 24 120.356 121.342 -0.986 1
2 328 . 5 1 1 A 29 29 LEU H H 24 8.220 8.505 -0.285 1
2 329 . 5 1 1 A 29 29 LEU CA C 24 58.562 58.322 0.240 1
2 330 . 5 1 1 A 29 29 LEU HA H 24 3.806 4.029 -0.223 1
2 331 . 5 1 1 A 29 29 LEU CB C 24 39.477 41.334 -1.857 1
2 339 . 5 1 1 A 29 29 LEU C C 24 178.572 178.335 0.237 1
2 340 . 5 1 1 A 30 30 ASN N N 25 117.446 117.288 0.158 1
2 341 . 5 1 1 A 30 30 ASN H H 25 8.688 8.466 0.222 1
2 342 . 5 1 1 A 30 30 ASN CA C 25 56.092 57.111 -1.019 1
2 343 . 5 1 1 A 30 30 ASN HA H 25 4.493 4.364 0.129 1
2 344 . 5 1 1 A 30 30 ASN CB C 25 38.809 38.911 -0.102 1
2 351 . 5 1 1 A 30 30 ASN C C 25 178.884 177.725 1.159 1
2 352 . 5 1 1 A 31 31 GLN N N 26 119.946 117.740 2.206 1
2 353 . 5 1 1 A 31 31 GLN H H 26 8.184 7.734 0.450 1
2 354 . 5 1 1 A 31 31 GLN CA C 26 58.786 58.745 0.041 1
2 355 . 5 1 1 A 31 31 GLN HA H 26 4.041 4.055 -0.014 1
2 356 . 5 1 1 A 31 31 GLN CB C 26 29.089 28.376 0.713 1
2 366 . 5 1 1 A 31 31 GLN C C 26 177.656 179.176 -1.520 1
2 367 . 5 1 1 A 32 32 LEU N N 27 116.979 115.291 1.688 1
2 368 . 5 1 1 A 32 32 LEU H H 27 7.893 7.723 0.170 1
2 369 . 5 1 1 A 32 32 LEU CA C 27 54.545 55.025 -0.480 1
2 370 . 5 1 1 A 32 32 LEU HA H 27 4.227 4.282 -0.055 1
2 371 . 5 1 1 A 32 32 LEU CB C 27 42.063 42.698 -0.635 1
2 382 . 5 1 1 A 32 32 LEU C C 27 175.733 177.598 -1.865 1
2 383 . 5 1 1 A 33 33 GLY N N 28 108.299 109.245 -0.946 1
2 384 . 5 1 1 A 33 33 GLY H H 28 7.834 7.426 0.408 1
2 385 . 5 1 1 A 33 33 GLY CA C 28 45.707 44.934 0.773 1
2 386 . 5 1 1 A 33 33 GLY HA2 H 28 3.952 4.019 -0.067 1
2 387 . 5 1 1 A 33 33 GLY HA3 H 28 3.952 4.021 -0.069 1
2 388 . 5 1 1 A 33 33 GLY C C 28 174.317 174.663 -0.346 1
2 389 . 5 1 1 A 34 34 LEU N N 29 120.833 116.317 4.516 1
2 390 . 5 1 1 A 34 34 LEU H H 29 7.986 8.538 -0.552 1
2 391 . 5 1 1 A 34 34 LEU CA C 29 51.558 55.536 -3.978 1
2 392 . 5 1 1 A 34 34 LEU HA H 29 4.744 4.111 0.633 1
2 393 . 5 1 1 A 34 34 LEU CB C 29 43.525 41.046 2.479 1
2 405 . 5 1 1 A 35 35 PRO CA C 30 62.707 62.344 0.363 1
2 406 . 5 1 1 A 35 35 PRO HA H 30 4.351 4.576 -0.225 1
2 407 . 5 1 1 A 35 35 PRO CB C 30 31.919 33.125 -1.206 1
2 415 . 5 1 1 A 35 35 PRO C C 30 177.488 176.469 1.019 1
2 416 . 5 1 1 A 36 36 LYS N N 31 117.590 119.420 -1.830 1
2 417 . 5 1 1 A 36 36 LYS H H 31 8.380 9.065 -0.685 1
2 418 . 5 1 1 A 36 36 LYS CA C 31 55.660 57.823 -2.163 1
2 419 . 5 1 1 A 36 36 LYS HA H 31 4.286 4.075 0.211 1
2 420 . 5 1 1 A 36 36 LYS CB C 31 33.239 32.807 0.432 1
2 430 . 5 1 1 A 36 36 LYS C C 31 174.384 175.964 -1.580 1
2 431 . 5 1 1 A 37 37 GLN N N 32 118.260 117.160 1.100 1
2 432 . 5 1 1 A 37 37 GLN H H 32 7.698 7.735 -0.037 1
2 433 . 5 1 1 A 37 37 GLN CA C 32 55.550 53.932 1.618 1
2 434 . 5 1 1 A 37 37 GLN HA H 32 4.376 4.842 -0.466 1
2 435 . 5 1 1 A 37 37 GLN CB C 32 28.221 31.892 -3.671 1
2 445 . 5 1 1 A 37 37 GLN C C 32 175.222 174.756 0.466 1
2 446 . 5 1 1 A 38 38 GLY N N 33 109.855 109.013 0.842 1
2 447 . 5 1 1 A 38 38 GLY H H 33 8.449 8.279 0.170 1
2 448 . 5 1 1 A 38 38 GLY CA C 33 43.235 45.692 -2.457 1
2 449 . 5 1 1 A 38 38 GLY HA2 H 33 4.566 4.185 0.381 1
2 450 . 5 1 1 A 38 38 GLY HA3 H 33 3.789 4.186 -0.397 1
2 451 . 5 1 1 A 38 38 GLY C C 33 173.603 173.951 -0.348 1
2 452 . 5 1 1 A 39 39 LYS N N 34 117.627 118.525 -0.898 1
2 453 . 5 1 1 A 39 39 LYS H H 34 8.649 7.470 1.179 1
2 454 . 5 1 1 A 39 39 LYS CA C 34 54.563 56.016 -1.453 1
2 455 . 5 1 1 A 39 39 LYS HA H 34 4.394 4.479 -0.085 1
2 456 . 5 1 1 A 39 39 LYS CB C 34 32.892 33.435 -0.543 1
2 468 . 5 1 1 A 39 39 LYS C C 34 176.803 177.457 -0.654 1
2 469 . 5 1 1 A 40 40 LYS N N 35 121.705 120.572 1.133 1
2 470 . 5 1 1 A 40 40 LYS H H 35 8.920 8.838 0.082 1
2 471 . 5 1 1 A 40 40 LYS CA C 35 61.559 59.417 2.142 1
2 472 . 5 1 1 A 40 40 LYS HA H 35 3.597 3.948 -0.351 1
2 473 . 5 1 1 A 40 40 LYS CB C 35 31.953 32.274 -0.321 1
2 485 . 5 1 1 A 40 40 LYS C C 35 177.362 178.349 -0.987 1
2 486 . 5 1 1 A 41 41 GLN N N 36 114.637 118.424 -3.787 1
2 487 . 5 1 1 A 41 41 GLN H H 36 9.017 7.866 1.151 1
2 488 . 5 1 1 A 41 41 GLN CA C 36 57.638 58.509 -0.871 1
2 489 . 5 1 1 A 41 41 GLN HA H 36 3.719 4.004 -0.285 1
2 490 . 5 1 1 A 41 41 GLN CB C 36 27.865 28.329 -0.464 1
2 500 . 5 1 1 A 41 41 GLN C C 36 176.975 178.812 -1.837 1
2 501 . 5 1 1 A 42 42 ASP N N 37 115.984 120.235 -4.251 1
2 502 . 5 1 1 A 42 42 ASP H H 37 7.049 8.069 -1.020 1
2 503 . 5 1 1 A 42 42 ASP CA C 37 56.424 57.226 -0.802 1
2 504 . 5 1 1 A 42 42 ASP HA H 37 4.303 4.452 -0.149 1
2 505 . 5 1 1 A 42 42 ASP CB C 37 39.955 41.048 -1.093 1
2 508 . 5 1 1 A 42 42 ASP C C 37 178.454 178.900 -0.446 1
2 509 . 5 1 1 A 43 43 LEU N N 38 119.074 120.717 -1.643 1
2 510 . 5 1 1 A 43 43 LEU H H 38 7.725 8.283 -0.558 1
2 511 . 5 1 1 A 43 43 LEU CA C 38 57.716 58.036 -0.320 1
2 512 . 5 1 1 A 43 43 LEU HA H 38 3.794 4.004 -0.210 1
2 513 . 5 1 1 A 43 43 LEU CB C 38 40.211 42.239 -2.028 1
2 526 . 5 1 1 A 43 43 LEU C C 38 177.872 179.093 -1.221 1
2 527 . 5 1 1 A 44 44 ILE N N 39 118.343 118.330 0.013 1
2 528 . 5 1 1 A 44 44 ILE H H 39 7.867 8.111 -0.244 1
2 529 . 5 1 1 A 44 44 ILE CA C 39 66.211 65.762 0.449 1
2 530 . 5 1 1 A 44 44 ILE HA H 39 3.319 3.482 -0.163 1
2 531 . 5 1 1 A 44 44 ILE CB C 39 37.985 37.776 0.209 1
2 541 . 5 1 1 A 44 44 ILE C C 39 177.711 177.685 0.026 1
2 542 . 5 1 1 A 45 45 ASP N N 40 118.535 120.829 -2.294 1
2 543 . 5 1 1 A 45 45 ASP H H 40 8.503 8.280 0.223 1
2 544 . 5 1 1 A 45 45 ASP CA C 40 56.817 57.127 -0.310 1
2 545 . 5 1 1 A 45 45 ASP HA H 40 4.256 4.429 -0.173 1
2 546 . 5 1 1 A 45 45 ASP CB C 40 39.815 41.181 -1.366 1
2 549 . 5 1 1 A 45 45 ASP C C 40 178.464 178.913 -0.449 1
2 550 . 5 1 1 A 46 46 ARG N N 41 120.910 119.043 1.867 1
2 551 . 5 1 1 A 46 46 ARG H H 41 7.717 7.902 -0.185 1
2 552 . 5 1 1 A 46 46 ARG CA C 41 59.054 59.547 -0.493 1
2 553 . 5 1 1 A 46 46 ARG HA H 41 3.993 4.023 -0.030 1
2 554 . 5 1 1 A 46 46 ARG CB C 41 29.778 30.389 -0.611 1
2 563 . 5 1 1 A 46 46 ARG C C 41 177.565 178.407 -0.842 1
2 564 . 5 1 1 A 47 47 VAL N N 42 117.438 119.863 -2.425 1
2 565 . 5 1 1 A 47 47 VAL H H 42 7.445 8.320 -0.875 1
2 566 . 5 1 1 A 47 47 VAL CA C 42 66.095 66.413 -0.318 1
2 567 . 5 1 1 A 47 47 VAL HA H 42 3.446 3.655 -0.209 1
2 568 . 5 1 1 A 47 47 VAL CB C 42 31.113 31.715 -0.602 1
2 578 . 5 1 1 A 47 47 VAL C C 42 177.710 178.282 -0.572 1
2 579 . 5 1 1 A 48 48 LEU N N 43 117.085 117.643 -0.558 1
2 580 . 5 1 1 A 48 48 LEU H H 43 8.466 8.031 0.435 1
2 581 . 5 1 1 A 48 48 LEU CA C 43 57.406 57.687 -0.281 1
2 582 . 5 1 1 A 48 48 LEU HA H 43 3.851 3.976 -0.125 1
2 583 . 5 1 1 A 48 48 LEU CB C 43 40.779 41.067 -0.288 1
2 596 . 5 1 1 A 48 48 LEU C C 43 179.581 179.695 -0.114 1
2 597 . 5 1 1 A 49 49 ALA N N 44 120.480 121.917 -1.437 1
2 598 . 5 1 1 A 49 49 ALA H H 44 7.952 7.945 0.007 1
2 599 . 5 1 1 A 49 49 ALA CA C 44 53.998 55.014 -1.016 1
2 600 . 5 1 1 A 49 49 ALA HA H 44 4.104 4.041 0.063 1
2 604 . 5 1 1 A 49 49 ALA CB C 44 17.685 18.383 -0.698 1
2 605 . 5 1 1 A 49 49 ALA C C 44 178.926 180.574 -1.648 1
2 606 . 5 1 1 A 50 50 LEU N N 45 115.306 119.895 -4.589 1
2 607 . 5 1 1 A 50 50 LEU H H 45 7.428 7.949 -0.521 1
2 608 . 5 1 1 A 50 50 LEU CA C 45 55.650 57.651 -2.001 1
2 609 . 5 1 1 A 50 50 LEU HA H 45 4.206 3.944 0.262 1
2 610 . 5 1 1 A 50 50 LEU CB C 45 41.937 41.942 -0.005 1
2 623 . 5 1 1 A 50 50 LEU C C 45 177.840 179.284 -1.444 1
2 624 . 5 1 1 A 51 51 LEU N N 46 115.880 117.164 -1.284 1
2 625 . 5 1 1 A 51 51 LEU H H 46 7.642 8.010 -0.368 1
2 626 . 5 1 1 A 51 51 LEU CA C 46 54.861 56.538 -1.677 1
2 627 . 5 1 1 A 51 51 LEU HA H 46 4.260 4.038 0.222 1
2 628 . 5 1 1 A 51 51 LEU CB C 46 42.228 41.651 0.577 1
2 638 . 5 1 1 A 51 51 LEU C C 46 176.015 177.720 -1.705 1
2 639 . 5 1 1 A 52 52 THR N N 47 109.201 112.448 -3.247 1
2 640 . 5 1 1 A 52 52 THR H H 47 7.515 7.463 0.052 1
2 641 . 5 1 1 A 52 52 THR CA C 47 60.972 64.444 -3.472 1
2 642 . 5 1 1 A 52 52 THR HA H 47 4.345 4.258 0.087 1
2 643 . 5 1 1 A 52 52 THR CB C 47 69.620 69.203 0.417 1
2 649 . 5 1 1 A 52 52 THR C C 47 173.733 175.393 -1.660 1
2 650 . 5 1 1 A 53 53 ASP N N 48 122.188 120.055 2.133 1
2 651 . 5 1 1 A 53 53 ASP H H 48 8.280 8.384 -0.104 1
2 652 . 5 1 1 A 53 53 ASP CA C 48 54.205 56.631 -2.426 1
2 653 . 5 1 1 A 53 53 ASP HA H 48 4.686 4.349 0.337 1
2 654 . 5 1 1 A 53 53 ASP CB C 48 40.766 40.476 0.290 1
2 658 . 5 1 1 A 53 53 ASP C C 48 176.000 176.616 -0.616 1
2 659 . 5 1 1 A 54 54 GLU N N 49 121.966 118.135 3.831 1
2 660 . 5 1 1 A 54 54 GLU H H 49 8.589 7.631 0.958 1
2 661 . 5 1 1 A 54 54 GLU CA C 49 56.448 55.374 1.074 1
2 662 . 5 1 1 A 54 54 GLU HA H 49 4.234 4.423 -0.189 1
2 663 . 5 1 1 A 54 54 GLU CB C 49 29.642 30.463 -0.821 1
2 669 . 5 1 1 A 54 54 GLU C C 49 176.522 176.440 0.082 1
2 670 . 5 1 1 A 55 55 GLN N N 50 120.727 118.699 2.028 1
2 671 . 5 1 1 A 55 55 GLN H H 50 8.642 7.605 1.037 1
2 672 . 5 1 1 A 55 55 GLN CA C 50 56.251 55.213 1.038 1
2 673 . 5 1 1 A 55 55 GLN HA H 50 4.217 4.005 0.212 1
2 674 . 5 1 1 A 55 55 GLN CB C 50 28.555 28.940 -0.385 1
2 684 . 5 1 1 A 55 55 GLN C C 50 176.519 176.514 0.005 1
2 685 . 5 1 1 A 56 56 GLY N N 51 109.357 108.089 1.268 1
2 686 . 5 1 1 A 56 56 GLY H H 51 8.519 7.753 0.766 1
2 687 . 5 1 1 A 56 56 GLY CA C 51 45.276 46.468 -1.192 1
2 688 . 5 1 1 A 56 56 GLY HA2 H 51 3.950 4.030 -0.080 1
2 689 . 5 1 1 A 56 56 GLY HA3 H 51 3.809 4.182 -0.373 1
2 690 . 5 1 1 A 56 56 GLY C C 51 174.146 175.136 -0.990 1
2 691 . 5 1 1 A 57 57 GLN N N 52 119.207 117.329 1.878 1
2 692 . 5 1 1 A 57 57 GLN H H 52 8.263 8.200 0.063 1
2 693 . 5 1 1 A 57 57 GLN CA C 52 55.572 55.584 -0.012 1
2 694 . 5 1 1 A 57 57 GLN HA H 52 4.203 4.493 -0.290 1
2 695 . 5 1 1 A 57 57 GLN CB C 52 28.656 30.115 -1.459 1
2 705 . 5 1 1 A 57 57 GLN C C 52 175.872 176.687 -0.815 1
2 706 . 5 1 1 A 58 58 ARG N N 53 120.525 115.395 5.130 1
2 707 . 5 1 1 A 58 58 ARG H H 53 8.279 8.203 0.076 1
2 708 . 5 1 1 A 58 58 ARG CA C 53 55.883 56.474 -0.591 1
2 709 . 5 1 1 A 58 58 ARG HA H 53 4.176 4.743 -0.567 1
2 710 . 5 1 1 A 58 58 ARG CB C 53 30.031 32.062 -2.031 1
2 721 . 5 1 1 A 58 58 ARG C C 53 175.820 176.012 -0.192 1
2 722 . 5 1 1 A 59 59 HIS N N 54 118.905 118.331 0.574 1
2 723 . 5 1 1 A 59 59 HIS H H 54 8.398 7.801 0.597 1
2 724 . 5 1 1 A 59 59 HIS CA C 54 54.908 55.851 -0.943 1
2 725 . 5 1 1 A 59 59 HIS HA H 54 4.548 5.034 -0.486 1
2 726 . 5 1 1 A 59 59 HIS CB C 54 28.953 31.480 -2.527 1
2 729 . 5 1 1 A 59 59 HIS C C 54 174.136 173.360 0.776 1
2 730 . 5 1 1 A 60 60 HIS N N 55 119.527 116.248 3.279 1
2 731 . 5 1 1 A 60 60 HIS H H 55 8.493 8.312 0.181 1
2 732 . 5 1 1 A 60 60 HIS CA C 55 55.274 54.026 1.248 1
2 733 . 5 1 1 A 60 60 HIS HA H 55 4.552 4.718 -0.166 1
2 734 . 5 1 1 A 60 60 HIS CB C 55 28.913 32.335 -3.422 1
2 737 . 5 1 1 A 60 60 HIS C C 55 174.595 173.831 0.764 1
2 738 . 5 1 1 A 61 61 GLY N N 56 110.215 107.766 2.449 1
2 739 . 5 1 1 A 61 61 GLY H H 56 8.604 7.377 1.227 1
2 740 . 5 1 1 A 61 61 GLY CA C 56 44.977 45.352 -0.375 1
2 741 . 5 1 1 A 61 61 GLY HA2 H 56 3.956 3.588 0.368 1
2 742 . 5 1 1 A 61 61 GLY HA3 H 56 3.831 3.600 0.231 1
2 743 . 5 1 1 A 61 61 GLY C C 56 173.752 174.430 -0.678 1
2 744 . 5 1 1 A 62 62 TRP N N 57 120.700 118.082 2.618 1
2 745 . 5 1 1 A 62 62 TRP H H 57 8.175 6.967 1.208 1
2 746 . 5 1 1 A 62 62 TRP CA C 57 56.929 58.357 -1.428 1
2 747 . 5 1 1 A 62 62 TRP HA H 57 4.663 4.828 -0.165 1
2 748 . 5 1 1 A 62 62 TRP CB C 57 29.142 31.129 -1.987 1
2 763 . 5 1 1 A 62 62 TRP C C 57 176.442 177.923 -1.481 1
2 764 . 5 1 1 A 63 63 GLY N N 58 110.195 108.586 1.609 1
2 765 . 5 1 1 A 63 63 GLY H H 58 8.452 8.683 -0.231 1
2 766 . 5 1 1 A 63 63 GLY CA C 58 45.052 45.719 -0.667 1
2 767 . 5 1 1 A 63 63 GLY HA2 H 58 3.925 4.066 -0.141 1
2 768 . 5 1 1 A 63 63 GLY HA3 H 58 3.833 4.123 -0.290 1
2 769 . 5 1 1 A 63 63 GLY C C 58 173.738 174.704 -0.966 1
2 770 . 5 1 1 A 64 64 ARG N N 59 120.374 118.973 1.401 1
2 771 . 5 1 1 A 64 64 ARG H H 59 8.136 8.079 0.057 1
2 772 . 5 1 1 A 64 64 ARG CA C 59 55.799 56.514 -0.715 1
2 773 . 5 1 1 A 64 64 ARG HA H 59 4.287 4.250 0.037 1
2 774 . 5 1 1 A 64 64 ARG CB C 59 30.371 30.652 -0.281 1
2 785 . 5 1 1 A 64 64 ARG C C 59 176.287 176.531 -0.244 1
2 786 . 5 1 1 A 65 65 LYS N N 60 121.593 119.916 1.677 1
2 787 . 5 1 1 A 65 65 LYS H H 60 8.483 7.844 0.639 1
2 788 . 5 1 1 A 65 65 LYS CA C 60 56.353 55.402 0.951 1
2 789 . 5 1 1 A 65 65 LYS HA H 60 4.218 4.530 -0.312 1
2 790 . 5 1 1 A 65 65 LYS CB C 60 32.260 33.708 -1.448 1
2 796 . 5 1 1 A 65 65 LYS C C 60 176.102 175.379 0.723 1
2 797 . 5 1 1 A 66 66 ASN N N 61 118.654 116.201 2.453 1
2 798 . 5 1 1 A 66 66 ASN H H 61 8.413 7.709 0.704 1
2 799 . 5 1 1 A 66 66 ASN CA C 61 53.055 52.754 0.301 1
2 800 . 5 1 1 A 66 66 ASN HA H 61 4.639 4.803 -0.164 1
2 801 . 5 1 1 A 66 66 ASN CB C 61 38.385 38.477 -0.092 1
2 808 . 5 1 1 A 66 66 ASN C C 61 174.531 174.383 0.148 1
2 809 . 5 1 1 A 67 67 SER N N 62 115.491 115.324 0.167 1
2 810 . 5 1 1 A 67 67 SER H H 62 8.288 8.229 0.059 1
2 811 . 5 1 1 A 67 67 SER CA C 62 57.980 57.880 0.100 1
2 812 . 5 1 1 A 67 67 SER HA H 62 4.283 4.699 -0.416 1
2 813 . 5 1 1 A 67 67 SER CB C 62 63.205 64.927 -1.722 1
2 816 . 5 1 1 A 67 67 SER C C 62 173.864 173.822 0.042 1
2 817 . 5 1 1 A 68 68 LEU N N 63 123.549 123.648 -0.099 1
2 818 . 5 1 1 A 68 68 LEU H H 63 8.063 7.646 0.417 1
2 819 . 5 1 1 A 68 68 LEU CA C 63 54.098 54.245 -0.147 1
2 820 . 5 1 1 A 68 68 LEU HA H 63 4.481 4.513 -0.032 1
2 821 . 5 1 1 A 68 68 LEU CB C 63 42.494 39.858 2.636 1
2 834 . 5 1 1 A 68 68 LEU C C 63 176.532 175.114 1.418 1
2 835 . 5 1 1 A 69 69 THR N N 64 112.637 111.326 1.311 1
2 836 . 5 1 1 A 69 69 THR H H 64 7.797 7.917 -0.120 1
2 837 . 5 1 1 A 69 69 THR CA C 64 59.915 59.184 0.731 1
2 838 . 5 1 1 A 69 69 THR HA H 64 4.490 5.105 -0.615 1
2 839 . 5 1 1 A 69 69 THR CB C 64 70.852 72.665 -1.813 1
2 845 . 5 1 1 A 69 69 THR C C 64 174.998 175.281 -0.283 1
2 846 . 5 1 1 A 70 70 LYS N N 65 120.128 121.663 -1.535 1
2 847 . 5 1 1 A 70 70 LYS H H 65 9.059 9.187 -0.128 1
2 848 . 5 1 1 A 70 70 LYS CA C 65 59.535 59.959 -0.424 1
2 849 . 5 1 1 A 70 70 LYS HA H 65 3.909 3.942 -0.033 1
2 850 . 5 1 1 A 70 70 LYS CB C 65 31.890 31.978 -0.088 1
2 858 . 5 1 1 A 70 70 LYS C C 65 177.536 178.672 -1.136 1
2 859 . 5 1 1 A 71 71 GLU N N 66 117.667 120.615 -2.948 1
2 860 . 5 1 1 A 71 71 GLU H H 66 8.699 8.528 0.171 1
2 861 . 5 1 1 A 71 71 GLU CA C 66 60.199 59.430 0.769 1
2 862 . 5 1 1 A 71 71 GLU HA H 66 3.806 4.034 -0.228 1
2 863 . 5 1 1 A 71 71 GLU CB C 66 27.986 29.371 -1.385 1
2 870 . 5 1 1 A 71 71 GLU C C 66 178.416 179.176 -0.760 1
2 871 . 5 1 1 A 72 72 ALA N N 67 123.924 122.775 1.149 1
2 872 . 5 1 1 A 72 72 ALA H H 67 7.992 7.609 0.383 1
2 873 . 5 1 1 A 72 72 ALA CA C 67 54.477 55.003 -0.526 1
2 874 . 5 1 1 A 72 72 ALA HA H 67 4.110 4.098 0.012 1
2 878 . 5 1 1 A 72 72 ALA CB C 67 18.301 18.464 -0.163 1
2 879 . 5 1 1 A 72 72 ALA C C 67 178.721 179.537 -0.816 1
2 880 . 5 1 1 A 73 73 VAL N N 68 119.434 117.853 1.581 1
2 881 . 5 1 1 A 73 73 VAL H H 68 8.044 7.979 0.065 1
2 882 . 5 1 1 A 73 73 VAL CA C 68 66.089 66.595 -0.506 1
2 883 . 5 1 1 A 73 73 VAL HA H 68 3.473 3.553 -0.080 1
2 884 . 5 1 1 A 73 73 VAL CB C 68 31.150 31.522 -0.372 1
2 894 . 5 1 1 A 73 73 VAL C C 68 177.001 178.641 -1.640 1
2 895 . 5 1 1 A 74 74 ALA N N 69 120.671 121.557 -0.886 1
2 896 . 5 1 1 A 74 74 ALA H H 69 8.407 8.051 0.356 1
2 897 . 5 1 1 A 74 74 ALA CA C 69 54.727 55.131 -0.404 1
2 898 . 5 1 1 A 74 74 ALA HA H 69 3.968 4.106 -0.138 1
2 902 . 5 1 1 A 74 74 ALA CB C 69 18.066 18.049 0.017 1
2 903 . 5 1 1 A 74 74 ALA C C 69 178.820 179.600 -0.780 1
2 904 . 5 1 1 A 75 75 LYS N N 70 118.624 118.096 0.528 1
2 905 . 5 1 1 A 75 75 LYS H H 70 7.930 7.951 -0.021 1
2 906 . 5 1 1 A 75 75 LYS CA C 70 58.807 60.080 -1.273 1
2 907 . 5 1 1 A 75 75 LYS HA H 70 4.086 3.991 0.095 1
2 908 . 5 1 1 A 75 75 LYS CB C 70 31.776 32.186 -0.410 1
2 918 . 5 1 1 A 75 75 LYS C C 70 177.424 178.708 -1.284 1
2 919 . 5 1 1 A 76 76 ILE N N 71 120.234 119.670 0.564 1
2 920 . 5 1 1 A 76 76 ILE H H 71 7.478 7.795 -0.317 1
2 921 . 5 1 1 A 76 76 ILE CA C 71 64.885 64.982 -0.097 1
2 922 . 5 1 1 A 76 76 ILE HA H 71 3.960 3.655 0.305 1
2 923 . 5 1 1 A 76 76 ILE CB C 71 37.810 37.952 -0.142 1
2 936 . 5 1 1 A 76 76 ILE C C 71 179.734 177.710 2.024 1
2 937 . 5 1 1 A 77 77 VAL N N 72 122.502 119.564 2.938 1
2 938 . 5 1 1 A 77 77 VAL H H 72 8.325 7.877 0.448 1
2 939 . 5 1 1 A 77 77 VAL CA C 72 67.450 66.705 0.745 1
2 940 . 5 1 1 A 77 77 VAL HA H 72 3.576 3.540 0.036 1
2 941 . 5 1 1 A 77 77 VAL CB C 72 30.928 31.507 -0.579 1
2 951 . 5 1 1 A 77 77 VAL C C 72 176.906 177.308 -0.402 1
2 952 . 5 1 1 A 78 78 ASP N N 73 120.524 120.359 0.165 1
2 953 . 5 1 1 A 78 78 ASP H H 73 8.798 8.128 0.670 1
2 954 . 5 1 1 A 78 78 ASP CA C 73 58.206 57.542 0.664 1
2 955 . 5 1 1 A 78 78 ASP HA H 73 4.379 4.532 -0.153 1
2 956 . 5 1 1 A 78 78 ASP CB C 73 41.420 40.615 0.805 1
2 960 . 5 1 1 A 78 78 ASP C C 73 178.068 178.869 -0.801 1
2 961 . 5 1 1 A 79 79 ASP N N 74 119.761 119.747 0.014 1
2 962 . 5 1 1 A 79 79 ASP H H 74 9.318 8.105 1.213 1
2 963 . 5 1 1 A 79 79 ASP CA C 74 57.025 57.335 -0.310 1
2 964 . 5 1 1 A 79 79 ASP HA H 74 4.404 4.319 0.085 1
2 965 . 5 1 1 A 79 79 ASP CB C 74 40.007 40.715 -0.708 1
2 969 . 5 1 1 A 79 79 ASP C C 74 178.813 178.749 0.064 1
2 970 . 5 1 1 A 80 80 THR N N 75 117.342 116.761 0.581 1
2 971 . 5 1 1 A 80 80 THR H H 75 8.084 7.892 0.192 1
2 972 . 5 1 1 A 80 80 THR CA C 75 66.977 66.315 0.662 1
2 973 . 5 1 1 A 80 80 THR HA H 75 3.826 3.640 0.186 1
2 974 . 5 1 1 A 80 80 THR CB C 75 67.725 67.906 -0.181 1
2 980 . 5 1 1 A 80 80 THR C C 75 175.367 175.567 -0.200 1
2 981 . 5 1 1 A 81 81 TYR N N 76 123.732 121.413 2.319 1
2 982 . 5 1 1 A 81 81 TYR H H 76 8.830 8.202 0.628 1
2 983 . 5 1 1 A 81 81 TYR CA C 76 61.713 61.291 0.422 1
2 984 . 5 1 1 A 81 81 TYR HA H 76 4.265 4.355 -0.090 1
2 985 . 5 1 1 A 81 81 TYR CB C 76 38.849 38.827 0.022 1
2 994 . 5 1 1 A 81 81 TYR C C 76 176.700 178.006 -1.306 1
2 995 . 5 1 1 A 82 82 ARG N N 77 118.508 119.463 -0.955 1
2 996 . 5 1 1 A 82 82 ARG H H 77 8.754 8.361 0.393 1
2 997 . 5 1 1 A 82 82 ARG CA C 77 58.792 59.524 -0.732 1
2 998 . 5 1 1 A 82 82 ARG HA H 77 3.890 4.026 -0.136 1
2 999 . 5 1 1 A 82 82 ARG CB C 77 29.498 30.257 -0.759 1
2 1015 . 5 1 1 A 82 82 ARG C C 77 178.748 178.882 -0.134 1
2 1016 . 5 1 1 A 83 83 LYS N N 78 118.079 120.058 -1.979 1
2 1017 . 5 1 1 A 83 83 LYS H H 78 7.696 7.876 -0.180 1
2 1018 . 5 1 1 A 83 83 LYS CA C 78 58.671 59.060 -0.389 1
2 1019 . 5 1 1 A 83 83 LYS HA H 78 4.024 4.019 0.005 1
2 1020 . 5 1 1 A 83 83 LYS CB C 78 32.057 31.877 0.180 1
2 1026 . 5 1 1 A 83 83 LYS C C 78 177.743 178.496 -0.753 1
2 1027 . 5 1 1 A 84 84 MET N N 79 118.241 118.909 -0.668 1
2 1028 . 5 1 1 A 84 84 MET H H 79 7.748 8.074 -0.326 1
2 1029 . 5 1 1 A 84 84 MET CA C 79 57.209 57.651 -0.442 1
2 1030 . 5 1 1 A 84 84 MET HA H 79 4.170 4.321 -0.151 1
2 1031 . 5 1 1 A 84 84 MET CB C 79 32.320 33.209 -0.889 1
2 1041 . 5 1 1 A 84 84 MET C C 79 177.036 176.292 0.744 1
2 1042 . 5 1 1 A 85 85 GLN N N 80 117.242 117.827 -0.585 1
2 1043 . 5 1 1 A 85 85 GLN H H 80 7.843 8.018 -0.175 1
2 1044 . 5 1 1 A 85 85 GLN CA C 80 56.523 54.267 2.256 1
2 1045 . 5 1 1 A 85 85 GLN HA H 80 3.993 4.501 -0.508 1
2 1046 . 5 1 1 A 85 85 GLN CB C 80 28.240 28.481 -0.241 1
2 1056 . 5 1 1 A 85 85 GLN C C 80 176.690 175.448 1.242 1
2 1057 . 5 1 1 A 86 86 ILE N N 81 119.178 124.733 -5.555 1
2 1058 . 5 1 1 A 86 86 ILE H H 81 7.715 8.180 -0.465 1
2 1059 . 5 1 1 A 86 86 ILE CA C 81 62.073 64.700 -2.627 1
2 1060 . 5 1 1 A 86 86 ILE HA H 81 3.934 4.089 -0.155 1
2 1061 . 5 1 1 A 86 86 ILE CB C 81 37.966 38.064 -0.098 1
2 1074 . 5 1 1 A 86 86 ILE C C 81 176.673 176.804 -0.131 1
2 1075 . 5 1 1 A 87 87 GLN N N 82 121.386 120.280 1.106 1
2 1076 . 5 1 1 A 87 87 GLN H H 82 8.164 7.822 0.342 1
2 1077 . 5 1 1 A 87 87 GLN CA C 82 55.968 54.990 0.978 1
2 1078 . 5 1 1 A 87 87 GLN HA H 82 4.214 4.414 -0.200 1
2 1079 . 5 1 1 A 87 87 GLN CB C 82 28.735 28.172 0.563 1
2 1088 . 5 1 1 A 87 87 GLN C C 82 175.836 175.485 0.351 1
2 1089 . 5 1 1 A 88 88 CYS N N 83 118.663 124.500 -5.837 1
2 1090 . 5 1 1 A 88 88 CYS H H 83 8.238 8.398 -0.160 1
2 1091 . 5 1 1 A 88 88 CYS CA C 83 57.997 60.040 -2.043 1
2 1092 . 5 1 1 A 88 88 CYS HA H 83 4.467 4.653 -0.186 1
2 1093 . 5 1 1 A 88 88 CYS CB C 83 27.582 29.465 -1.883 1
2 1096 . 5 1 1 A 88 88 CYS C C 83 173.432 174.743 -1.311 1
2 1097 . 5 1 1 A 89 89 ALA N N 84 127.014 121.713 5.301 1
2 1098 . 5 1 1 A 89 89 ALA H H 84 8.249 7.999 0.250 1
2 1099 . 5 1 1 A 89 89 ALA CA C 84 50.607 52.770 -2.163 1
2 1100 . 5 1 1 A 89 89 ALA HA H 84 4.544 4.098 0.446 1
2 1104 . 5 1 1 A 89 89 ALA CB C 84 17.658 17.270 0.388 1
2 1105 . 5 1 1 A 89 89 ALA C C 84 175.125 178.283 -3.158 1
2 1107 . 5 1 1 A 90 90 PRO CA C 85 62.995 64.078 -1.083 1
2 1108 . 5 1 1 A 90 90 PRO HA H 85 4.373 4.447 -0.074 1
2 1109 . 5 1 1 A 90 90 PRO CB C 85 31.692 32.049 -0.357 1
2 1117 . 5 1 1 A 90 90 PRO C C 85 176.407 177.127 -0.720 1
2 1118 . 5 1 1 A 91 91 ASP N N 86 119.209 118.489 0.720 1
2 1119 . 5 1 1 A 91 91 ASP H H 86 8.429 8.189 0.240 1
2 1120 . 5 1 1 A 91 91 ASP CA C 86 53.752 55.074 -1.322 1
2 1121 . 5 1 1 A 91 91 ASP HA H 86 4.394 4.296 0.098 1
2 1122 . 5 1 1 A 91 91 ASP CB C 86 40.319 39.532 0.787 1
2 1125 . 5 1 1 A 91 91 ASP C C 86 176.101 175.018 1.083 1
2 1126 . 5 1 1 A 92 92 LEU N N 87 122.571 112.209 10.362 1
2 1127 . 5 1 1 A 92 92 LEU H H 87 8.208 8.340 -0.132 1
2 1128 . 5 1 1 A 92 92 LEU CA C 87 55.286 56.407 -1.121 1
2 1129 . 5 1 1 A 92 92 LEU HA H 87 4.204 3.989 0.215 1
2 1130 . 5 1 1 A 92 92 LEU CB C 87 41.786 40.229 1.557 1
2 1143 . 5 1 1 A 92 92 LEU C C 87 177.406 175.985 1.421 1
2 1144 . 5 1 1 A 93 93 ALA N N 88 123.131 114.260 8.871 1
2 1145 . 5 1 1 A 93 93 ALA H H 88 8.305 8.259 0.046 1
2 1146 . 5 1 1 A 93 93 ALA CA C 88 52.876 53.205 -0.329 1
2 1147 . 5 1 1 A 93 93 ALA HA H 88 4.263 3.986 0.277 1
2 1151 . 5 1 1 A 93 93 ALA CB C 88 18.672 17.592 1.080 1
2 1152 . 5 1 1 A 93 93 ALA C C 88 178.033 176.779 1.254 1
2 1153 . 5 1 1 A 94 94 THR N N 89 112.097 102.210 9.887 1
2 1154 . 5 1 1 A 94 94 THR H H 89 7.994 8.050 -0.056 1
2 1155 . 5 1 1 A 94 94 THR CA C 89 61.640 61.732 -0.092 1
2 1156 . 5 1 1 A 94 94 THR HA H 89 4.251 4.044 0.207 1
2 1157 . 5 1 1 A 94 94 THR CB C 89 69.063 67.777 1.286 1
2 1163 . 5 1 1 A 94 94 THR C C 89 174.493 174.308 0.185 1
2 1164 . 5 1 1 A 95 95 ARG N N 90 122.704 127.042 -4.338 1
2 1165 . 5 1 1 A 95 95 ARG H H 90 8.211 8.397 -0.186 1
2 1166 . 5 1 1 A 95 95 ARG CA C 90 55.718 55.650 0.068 1
2 1167 . 5 1 1 A 95 95 ARG HA H 90 4.324 4.590 -0.266 1
2 1168 . 5 1 1 A 95 95 ARG CB C 90 30.309 30.244 0.065 1
2 1179 . 5 1 1 A 95 95 ARG C C 90 175.927 176.348 -0.421 1
2 1180 . 5 1 1 A 96 96 SER N N 91 116.390 115.978 0.412 1
2 1181 . 5 1 1 A 96 96 SER H H 91 8.365 7.849 0.516 1
2 1182 . 5 1 1 A 96 96 SER CA C 91 57.823 60.654 -2.831 1
2 1183 . 5 1 1 A 96 96 SER HA H 91 4.356 4.075 0.281 1
2 1184 . 5 1 1 A 96 96 SER CB C 91 63.214 62.985 0.229 1
2 1187 . 5 1 1 A 96 96 SER C C 91 174.011 177.129 -3.118 1
2 1188 . 5 1 1 A 97 97 HIS N N 92 120.507 118.923 1.584 1
2 1189 . 5 1 1 A 97 97 HIS H H 92 8.541 7.669 0.872 1
2 1190 . 5 1 1 A 97 97 HIS CA C 92 54.960 58.564 -3.604 1
2 1191 . 5 1 1 A 97 97 HIS HA H 92 4.704 4.408 0.296 1
2 1192 . 5 1 1 A 97 97 HIS CB C 92 28.518 29.880 -1.362 1
2 1197 . 5 1 1 A 97 97 HIS C C 92 174.186 175.799 -1.613 1
2 1198 . 5 1 1 A 98 98 SER N N 93 116.801 110.112 6.689 1
2 1199 . 5 1 1 A 98 98 SER H H 93 8.455 7.800 0.655 1
2 1200 . 5 1 1 A 98 98 SER CA C 93 57.880 57.865 0.015 1
2 1201 . 5 1 1 A 98 98 SER HA H 93 4.445 4.865 -0.420 1
2 1202 . 5 1 1 A 98 98 SER CB C 93 63.434 65.435 -2.001 1
2 1205 . 5 1 1 A 98 98 SER C C 93 174.508 173.843 0.665 1
2 1206 . 5 1 1 A 99 99 GLY N N 94 111.114 114.443 -3.329 1
2 1207 . 5 1 1 A 99 99 GLY H H 94 8.597 8.815 -0.218 1
2 1208 . 5 1 1 A 99 99 GLY CA C 94 44.888 45.832 -0.944 1
2 1209 . 5 1 1 A 99 99 GLY HA2 H 94 3.998 4.094 -0.096 1
2 1210 . 5 1 1 A 99 99 GLY HA3 H 94 3.998 4.151 -0.153 1
2 1211 . 5 1 1 A 99 99 GLY C C 94 173.856 174.806 -0.950 1
2 1212 . 5 1 1 A 100 100 SER N N 95 115.398 110.568 4.830 1
2 1213 . 5 1 1 A 100 100 SER H H 95 8.311 8.100 0.211 1
2 1214 . 5 1 1 A 100 100 SER CA C 95 57.888 59.993 -2.105 1
2 1215 . 5 1 1 A 100 100 SER HA H 95 4.408 3.938 0.470 1
2 1216 . 5 1 1 A 100 100 SER CB C 95 63.328 61.067 2.261 1
2 1219 . 5 1 1 A 100 100 SER C C 95 173.725 173.836 -0.111 1
2 1220 . 5 1 1 A 101 101 ASP N N 96 121.810 118.378 3.432 1
2 1221 . 5 1 1 A 101 101 ASP H H 96 8.380 8.187 0.193 1
2 1222 . 5 1 1 A 101 101 ASP CA C 96 53.813 53.916 -0.103 1
2 1223 . 5 1 1 A 101 101 ASP HA H 96 4.536 4.715 -0.179 1
2 1224 . 5 1 1 A 101 101 ASP CB C 96 40.438 41.956 -1.518 1
2 1227 . 5 1 1 A 101 101 ASP C C 96 175.524 176.947 -1.423 1
2 1228 . 5 1 1 A 102 102 PHE N N 97 120.706 119.079 1.627 1
2 1229 . 5 1 1 A 102 102 PHE H H 97 8.249 7.769 0.480 1
2 1230 . 5 1 1 A 102 102 PHE CA C 97 57.323 58.109 -0.786 1
2 1231 . 5 1 1 A 102 102 PHE HA H 97 4.527 4.532 -0.005 1
2 1232 . 5 1 1 A 102 102 PHE CB C 97 38.989 38.814 0.175 1
2 1238 . 5 1 1 A 102 102 PHE C C 97 175.246 175.968 -0.722 1
2 1239 . 5 1 1 A 103 103 SER N N 98 116.992 115.357 1.635 1
2 1240 . 5 1 1 A 103 103 SER H H 98 8.167 7.488 0.679 1
2 1241 . 5 1 1 A 103 103 SER CA C 98 57.883 57.163 0.720 1
2 1242 . 5 1 1 A 103 103 SER HA H 98 4.317 4.796 -0.479 1
2 1243 . 5 1 1 A 103 103 SER CB C 98 63.301 63.999 -0.698 1
2 1246 . 5 1 1 A 103 103 SER C C 98 173.244 173.357 -0.113 1
2 1247 . 5 1 1 A 104 104 PHE N N 99 122.000 123.262 -1.262 1
2 1248 . 5 1 1 A 104 104 PHE H H 99 8.170 8.343 -0.173 1
2 1249 . 5 1 1 A 104 104 PHE CA C 99 57.236 56.469 0.767 1
2 1250 . 5 1 1 A 104 104 PHE HA H 99 4.529 4.503 0.026 1
2 1251 . 5 1 1 A 104 104 PHE CB C 99 38.997 38.044 0.953 1
2 1257 . 5 1 1 A 104 104 PHE C C 99 174.632 174.364 0.268 1
2 1258 . 5 1 1 A 105 105 ARG N N 100 124.796 125.928 -1.132 1
2 1259 . 5 1 1 A 105 105 ARG H H 100 8.101 8.169 -0.068 1
2 1260 . 5 1 1 A 105 105 ARG CA C 100 52.969 53.255 -0.286 1
2 1261 . 5 1 1 A 105 105 ARG HA H 100 4.516 4.743 -0.227 1
2 1262 . 5 1 1 A 105 105 ARG CB C 100 30.069 31.086 -1.017 1
2 1271 . 5 1 1 A 105 105 ARG C C 100 172.924 172.991 -0.067 1
2 1273 . 5 1 1 A 106 106 PRO CA C 101 62.673 62.199 0.474 1
2 1274 . 5 1 1 A 106 106 PRO HA H 101 4.351 4.575 -0.224 1
2 1275 . 5 1 1 A 106 106 PRO CB C 101 31.726 33.128 -1.402 1
2 1283 . 5 1 1 A 106 106 PRO C C 101 176.395 176.463 -0.068 1
2 1284 . 5 1 1 A 107 107 ILE N N 102 121.380 120.351 1.029 1
2 1285 . 5 1 1 A 107 107 ILE H H 102 8.350 8.597 -0.247 1
2 1286 . 5 1 1 A 107 107 ILE CA C 102 60.940 60.514 0.426 1
2 1287 . 5 1 1 A 107 107 ILE HA H 102 4.039 4.452 -0.413 1
2 1288 . 5 1 1 A 107 107 ILE CB C 102 38.204 37.742 0.462 1
2 1301 . 5 1 1 A 107 107 ILE C C 102 175.990 175.427 0.563 1
2 1302 . 5 1 1 A 108 108 GLU N N 103 124.836 119.590 5.246 1
2 1303 . 5 1 1 A 108 108 GLU H H 103 8.578 8.426 0.152 1
2 1304 . 5 1 1 A 108 108 GLU CA C 103 55.883 57.822 -1.939 1
2 1305 . 5 1 1 A 108 108 GLU HA H 103 4.280 3.885 0.395 1
2 1306 . 5 1 1 A 108 108 GLU CB C 103 29.902 27.997 1.905 1
2 1312 . 5 1 1 A 108 108 GLU C C 103 175.670 175.905 -0.235 1
2 1313 . 5 1 1 A 109 109 GLU N N 104 122.847 117.361 5.486 1
2 1314 . 5 1 1 A 109 109 GLU H H 104 8.459 8.393 0.066 1
2 1315 . 5 1 1 A 109 109 GLU CA C 104 55.902 57.422 -1.520 1
2 1316 . 5 1 1 A 109 109 GLU HA H 104 4.267 4.009 0.258 1
2 1317 . 5 1 1 A 109 109 GLU CB C 104 29.985 28.160 1.825 1
2 1322 . 5 1 1 A 109 109 GLU C C 104 174.661 176.121 -1.460 1
2 3 . 6 1 1 A 2 2 SER N N -4 115.528 116.174 -0.646 1
2 4 . 6 1 1 A 2 2 SER H H -4 8.751 8.342 0.409 1
2 5 . 6 1 1 A 2 2 SER CA C -4 57.687 56.479 1.208 1
2 6 . 6 1 1 A 2 2 SER HA H -4 4.451 4.972 -0.521 1
2 7 . 6 1 1 A 2 2 SER CB C -4 63.389 66.205 -2.816 1
2 8 . 6 1 1 A 2 2 SER C C -4 173.913 173.176 0.737 1
2 9 . 6 1 1 A 3 3 HIS N N -3 120.998 119.540 1.458 1
2 10 . 6 1 1 A 3 3 HIS H H -3 8.769 8.718 0.051 1
2 11 . 6 1 1 A 3 3 HIS CA C -3 55.010 54.520 0.490 1
2 12 . 6 1 1 A 3 3 HIS HA H -3 4.707 4.898 -0.191 1
2 13 . 6 1 1 A 3 3 HIS CB C -3 28.916 28.296 0.620 1
2 16 . 6 1 1 A 3 3 HIS C C -3 174.207 174.834 -0.627 1
2 17 . 6 1 1 A 4 4 MET N N -2 122.227 118.945 3.282 1
2 18 . 6 1 1 A 4 4 MET H H -2 8.518 7.800 0.718 1
2 19 . 6 1 1 A 4 4 MET CA C -2 55.014 54.929 0.085 1
2 20 . 6 1 1 A 4 4 MET HA H -2 4.418 4.834 -0.416 1
2 21 . 6 1 1 A 4 4 MET CB C -2 32.678 33.413 -0.735 1
2 31 . 6 1 1 A 4 4 MET C C -2 175.481 174.602 0.879 1
2 49 . 6 1 1 A 7 7 ALA N N 2 124.549 122.821 1.728 1
2 50 . 6 1 1 A 7 7 ALA H H 2 8.453 8.152 0.301 1
2 51 . 6 1 1 A 7 7 ALA CA C 2 53.221 54.524 -1.303 1
2 52 . 6 1 1 A 7 7 ALA HA H 2 4.194 4.081 0.113 1
2 56 . 6 1 1 A 7 7 ALA CB C 2 18.431 18.216 0.215 1
2 57 . 6 1 1 A 7 7 ALA C C 2 178.162 179.239 -1.077 1
2 58 . 6 1 1 A 8 8 ASP N N 3 118.618 118.735 -0.117 1
2 59 . 6 1 1 A 8 8 ASP H H 3 8.064 7.890 0.174 1
2 60 . 6 1 1 A 8 8 ASP CA C 3 54.124 56.755 -2.631 1
2 61 . 6 1 1 A 8 8 ASP HA H 3 4.539 4.342 0.197 1
2 62 . 6 1 1 A 8 8 ASP CB C 3 40.341 40.996 -0.655 1
2 65 . 6 1 1 A 8 8 ASP C C 3 176.694 178.194 -1.500 1
2 66 . 6 1 1 A 9 9 LEU N N 4 123.427 120.408 3.019 1
2 67 . 6 1 1 A 9 9 LEU H H 4 8.202 7.919 0.283 1
2 68 . 6 1 1 A 9 9 LEU CA C 4 57.495 57.891 -0.396 1
2 69 . 6 1 1 A 9 9 LEU HA H 4 4.086 4.030 0.056 1
2 70 . 6 1 1 A 9 9 LEU CB C 4 41.905 41.652 0.253 1
2 82 . 6 1 1 A 9 9 LEU C C 4 178.839 178.632 0.207 1
2 83 . 6 1 1 A 10 10 VAL N N 5 119.385 119.210 0.175 1
2 84 . 6 1 1 A 10 10 VAL H H 5 8.186 8.375 -0.189 1
2 85 . 6 1 1 A 10 10 VAL CA C 5 66.585 66.736 -0.151 1
2 86 . 6 1 1 A 10 10 VAL HA H 5 3.420 3.513 -0.093 1
2 87 . 6 1 1 A 10 10 VAL CB C 5 31.177 31.530 -0.353 1
2 97 . 6 1 1 A 10 10 VAL C C 5 177.439 177.631 -0.192 1
2 98 . 6 1 1 A 11 11 SER N N 6 115.027 115.831 -0.804 1
2 99 . 6 1 1 A 11 11 SER H H 6 8.252 8.067 0.185 1
2 100 . 6 1 1 A 11 11 SER CA C 6 61.152 62.109 -0.957 1
2 101 . 6 1 1 A 11 11 SER HA H 6 4.055 4.122 -0.067 1
2 102 . 6 1 1 A 11 11 SER CB C 6 62.161 62.712 -0.551 1
2 105 . 6 1 1 A 11 11 SER C C 6 176.036 176.400 -0.364 1
2 106 . 6 1 1 A 12 12 SER N N 7 115.144 115.966 -0.822 1
2 107 . 6 1 1 A 12 12 SER H H 7 8.053 7.912 0.141 1
2 108 . 6 1 1 A 12 12 SER CA C 7 60.168 61.644 -1.476 1
2 109 . 6 1 1 A 12 12 SER HA H 7 4.284 4.087 0.197 1
2 110 . 6 1 1 A 12 12 SER CB C 7 62.706 62.833 -0.127 1
2 113 . 6 1 1 A 12 12 SER C C 7 176.540 177.285 -0.745 1
2 114 . 6 1 1 A 13 13 CYS N N 8 118.211 119.059 -0.848 1
2 115 . 6 1 1 A 13 13 CYS H H 8 7.919 8.695 -0.776 1
2 116 . 6 1 1 A 13 13 CYS CA C 8 63.651 63.803 -0.152 1
2 117 . 6 1 1 A 13 13 CYS HA H 8 4.026 4.148 -0.122 1
2 118 . 6 1 1 A 13 13 CYS CB C 8 26.641 27.089 -0.448 1
2 121 . 6 1 1 A 13 13 CYS C C 8 175.645 177.030 -1.385 1
2 122 . 6 1 1 A 14 14 LYS N N 9 120.074 121.460 -1.386 1
2 123 . 6 1 1 A 14 14 LYS H H 9 8.632 8.174 0.458 1
2 124 . 6 1 1 A 14 14 LYS CA C 9 60.441 59.480 0.961 1
2 125 . 6 1 1 A 14 14 LYS HA H 9 3.672 4.033 -0.361 1
2 126 . 6 1 1 A 14 14 LYS CB C 9 31.685 32.126 -0.441 1
2 138 . 6 1 1 A 14 14 LYS C C 9 177.615 178.100 -0.485 1
2 139 . 6 1 1 A 15 15 ASP N N 10 117.613 119.665 -2.052 1
2 140 . 6 1 1 A 15 15 ASP H H 10 7.732 8.120 -0.388 1
2 141 . 6 1 1 A 15 15 ASP CA C 10 56.175 57.490 -1.315 1
2 142 . 6 1 1 A 15 15 ASP HA H 10 4.307 4.248 0.059 1
2 143 . 6 1 1 A 15 15 ASP CB C 10 40.056 41.862 -1.806 1
2 146 . 6 1 1 A 15 15 ASP C C 10 177.650 178.707 -1.057 1
2 147 . 6 1 1 A 16 16 LYS N N 11 117.878 119.330 -1.452 1
2 148 . 6 1 1 A 16 16 LYS H H 11 7.254 7.708 -0.454 1
2 149 . 6 1 1 A 16 16 LYS CA C 11 58.962 59.178 -0.216 1
2 150 . 6 1 1 A 16 16 LYS HA H 11 3.645 3.848 -0.203 1
2 151 . 6 1 1 A 16 16 LYS CB C 11 32.951 32.171 0.780 1
2 160 . 6 1 1 A 16 16 LYS C C 11 177.263 178.636 -1.373 1
2 161 . 6 1 1 A 17 17 LEU N N 12 115.652 121.963 -6.311 1
2 162 . 6 1 1 A 17 17 LEU H H 12 8.138 8.508 -0.370 1
2 163 . 6 1 1 A 17 17 LEU CA C 12 56.726 58.090 -1.364 1
2 164 . 6 1 1 A 17 17 LEU HA H 12 3.579 4.200 -0.621 1
2 165 . 6 1 1 A 17 17 LEU CB C 12 41.959 41.525 0.434 1
2 176 . 6 1 1 A 17 17 LEU C C 12 177.485 178.640 -1.155 1
2 177 . 6 1 1 A 18 18 ALA N N 13 116.044 120.956 -4.912 1
2 178 . 6 1 1 A 18 18 ALA H H 13 7.080 8.579 -1.499 1
2 179 . 6 1 1 A 18 18 ALA CA C 13 53.389 54.987 -1.598 1
2 180 . 6 1 1 A 18 18 ALA HA H 13 3.963 4.124 -0.161 1
2 184 . 6 1 1 A 18 18 ALA CB C 13 18.161 18.497 -0.336 1
2 185 . 6 1 1 A 18 18 ALA C C 13 178.207 179.433 -1.226 1
2 186 . 6 1 1 A 19 19 TYR N N 14 115.556 118.927 -3.371 1
2 187 . 6 1 1 A 19 19 TYR H H 14 7.675 7.699 -0.024 1
2 188 . 6 1 1 A 19 19 TYR CA C 14 58.647 59.583 -0.936 1
2 189 . 6 1 1 A 19 19 TYR HA H 14 4.304 4.191 0.113 1
2 190 . 6 1 1 A 19 19 TYR CB C 14 38.609 39.006 -0.397 1
2 199 . 6 1 1 A 19 19 TYR C C 14 175.911 175.846 0.065 1
2 200 . 6 1 1 A 20 20 PHE N N 15 118.275 119.318 -1.043 1
2 201 . 6 1 1 A 20 20 PHE H H 15 7.406 7.769 -0.363 1
2 202 . 6 1 1 A 20 20 PHE CA C 15 56.615 56.891 -0.276 1
2 203 . 6 1 1 A 20 20 PHE HA H 15 4.649 4.851 -0.202 1
2 204 . 6 1 1 A 20 20 PHE CB C 15 38.750 40.599 -1.849 1
2 215 . 6 1 1 A 20 20 PHE C C 15 176.160 176.019 0.141 1
2 216 . 6 1 1 A 21 21 ARG N N 16 119.140 124.170 -5.030 1
2 217 . 6 1 1 A 21 21 ARG H H 16 8.714 8.403 0.311 1
2 218 . 6 1 1 A 21 21 ARG CA C 16 54.349 56.088 -1.739 1
2 219 . 6 1 1 A 21 21 ARG HA H 16 4.751 4.256 0.495 1
2 220 . 6 1 1 A 21 21 ARG CB C 16 30.097 31.816 -1.719 1
2 236 . 6 1 1 A 21 21 ARG C C 16 177.095 177.623 -0.528 1
2 237 . 6 1 1 A 22 22 ILE N N 17 120.734 124.931 -4.197 1
2 238 . 6 1 1 A 22 22 ILE H H 17 8.708 8.808 -0.100 1
2 239 . 6 1 1 A 22 22 ILE CA C 17 65.145 64.733 0.412 1
2 240 . 6 1 1 A 22 22 ILE HA H 17 3.720 3.713 0.007 1
2 241 . 6 1 1 A 22 22 ILE CB C 17 36.857 37.611 -0.754 1
2 254 . 6 1 1 A 22 22 ILE C C 17 176.745 177.943 -1.198 1
2 255 . 6 1 1 A 23 23 LYS N N 18 118.184 121.809 -3.625 1
2 256 . 6 1 1 A 23 23 LYS H H 18 8.267 8.238 0.029 1
2 257 . 6 1 1 A 23 23 LYS CA C 18 59.829 59.945 -0.116 1
2 258 . 6 1 1 A 23 23 LYS HA H 18 3.897 3.894 0.003 1
2 259 . 6 1 1 A 23 23 LYS CB C 18 32.268 32.271 -0.003 1
2 271 . 6 1 1 A 23 23 LYS C C 18 178.159 178.931 -0.772 1
2 272 . 6 1 1 A 24 24 GLU N N 19 117.654 119.298 -1.644 1
2 273 . 6 1 1 A 24 24 GLU H H 19 7.198 8.133 -0.935 1
2 274 . 6 1 1 A 24 24 GLU CA C 19 60.612 59.141 1.471 1
2 275 . 6 1 1 A 24 24 GLU HA H 19 4.030 3.912 0.118 1
2 276 . 6 1 1 A 24 24 GLU CB C 19 28.859 29.384 -0.525 1
2 282 . 6 1 1 A 24 24 GLU C C 19 178.521 179.289 -0.768 1
2 283 . 6 1 1 A 25 25 LEU N N 20 119.236 120.151 -0.915 1
2 284 . 6 1 1 A 25 25 LEU H H 20 7.980 8.219 -0.239 1
2 285 . 6 1 1 A 25 25 LEU CA C 20 57.676 58.029 -0.353 1
2 286 . 6 1 1 A 25 25 LEU HA H 20 3.904 3.966 -0.062 1
2 287 . 6 1 1 A 25 25 LEU CB C 20 42.218 41.735 0.483 1
2 294 . 6 1 1 A 25 25 LEU C C 20 177.990 179.512 -1.522 1
2 295 . 6 1 1 A 26 26 LYS N N 21 117.457 119.304 -1.847 1
2 296 . 6 1 1 A 26 26 LYS H H 21 8.770 8.653 0.117 1
2 297 . 6 1 1 A 26 26 LYS CA C 21 60.660 60.113 0.547 1
2 298 . 6 1 1 A 26 26 LYS HA H 21 3.787 3.923 -0.136 1
2 299 . 6 1 1 A 26 26 LYS CB C 21 31.876 32.227 -0.351 1
2 300 . 6 1 1 A 26 26 LYS C C 21 177.625 179.117 -1.492 1
2 301 . 6 1 1 A 27 27 ASP N N 22 119.023 119.626 -0.603 1
2 302 . 6 1 1 A 27 27 ASP H H 22 7.671 8.102 -0.431 1
2 303 . 6 1 1 A 27 27 ASP CA C 22 56.974 57.071 -0.097 1
2 304 . 6 1 1 A 27 27 ASP HA H 22 4.392 4.446 -0.054 1
2 305 . 6 1 1 A 27 27 ASP CB C 22 40.250 40.623 -0.373 1
2 308 . 6 1 1 A 27 27 ASP C C 22 180.796 179.040 1.756 1
2 309 . 6 1 1 A 28 28 ILE N N 23 119.318 120.212 -0.894 1
2 310 . 6 1 1 A 28 28 ILE H H 23 8.039 7.823 0.216 1
2 311 . 6 1 1 A 28 28 ILE CA C 23 65.365 65.699 -0.334 1
2 312 . 6 1 1 A 28 28 ILE HA H 23 3.587 3.615 -0.028 1
2 313 . 6 1 1 A 28 28 ILE CB C 23 37.408 38.218 -0.810 1
2 326 . 6 1 1 A 28 28 ILE C C 23 177.265 178.356 -1.091 1
2 327 . 6 1 1 A 29 29 LEU N N 24 120.356 119.101 1.255 1
2 328 . 6 1 1 A 29 29 LEU H H 24 8.220 8.152 0.068 1
2 329 . 6 1 1 A 29 29 LEU CA C 24 58.562 58.096 0.466 1
2 330 . 6 1 1 A 29 29 LEU HA H 24 3.806 3.961 -0.155 1
2 331 . 6 1 1 A 29 29 LEU CB C 24 39.477 41.185 -1.708 1
2 339 . 6 1 1 A 29 29 LEU C C 24 178.572 178.713 -0.141 1
2 340 . 6 1 1 A 30 30 ASN N N 25 117.446 117.490 -0.044 1
2 341 . 6 1 1 A 30 30 ASN H H 25 8.688 8.520 0.168 1
2 342 . 6 1 1 A 30 30 ASN CA C 25 56.092 57.068 -0.976 1
2 343 . 6 1 1 A 30 30 ASN HA H 25 4.493 4.344 0.149 1
2 344 . 6 1 1 A 30 30 ASN CB C 25 38.809 38.799 0.010 1
2 351 . 6 1 1 A 30 30 ASN C C 25 178.884 177.815 1.069 1
2 352 . 6 1 1 A 31 31 GLN N N 26 119.946 118.065 1.881 1
2 353 . 6 1 1 A 31 31 GLN H H 26 8.184 7.879 0.305 1
2 354 . 6 1 1 A 31 31 GLN CA C 26 58.786 58.778 0.008 1
2 355 . 6 1 1 A 31 31 GLN HA H 26 4.041 4.023 0.018 1
2 356 . 6 1 1 A 31 31 GLN CB C 26 29.089 28.393 0.696 1
2 366 . 6 1 1 A 31 31 GLN C C 26 177.656 178.815 -1.159 1
2 367 . 6 1 1 A 32 32 LEU N N 27 116.979 118.620 -1.641 1
2 368 . 6 1 1 A 32 32 LEU H H 27 7.893 7.804 0.089 1
2 369 . 6 1 1 A 32 32 LEU CA C 27 54.545 56.334 -1.789 1
2 370 . 6 1 1 A 32 32 LEU HA H 27 4.227 4.263 -0.036 1
2 371 . 6 1 1 A 32 32 LEU CB C 27 42.063 43.005 -0.942 1
2 382 . 6 1 1 A 32 32 LEU C C 27 175.733 176.887 -1.154 1
2 383 . 6 1 1 A 33 33 GLY N N 28 108.299 107.488 0.811 1
2 384 . 6 1 1 A 33 33 GLY H H 28 7.834 8.602 -0.768 1
2 385 . 6 1 1 A 33 33 GLY CA C 28 45.707 46.447 -0.740 1
2 386 . 6 1 1 A 33 33 GLY HA2 H 28 3.952 3.989 -0.037 1
2 387 . 6 1 1 A 33 33 GLY HA3 H 28 3.952 3.990 -0.038 1
2 388 . 6 1 1 A 33 33 GLY C C 28 174.317 174.567 -0.250 1
2 389 . 6 1 1 A 34 34 LEU N N 29 120.833 121.378 -0.545 1
2 390 . 6 1 1 A 34 34 LEU H H 29 7.986 7.703 0.283 1
2 391 . 6 1 1 A 34 34 LEU CA C 29 51.558 52.291 -0.733 1
2 392 . 6 1 1 A 34 34 LEU HA H 29 4.744 4.773 -0.029 1
2 393 . 6 1 1 A 34 34 LEU CB C 29 43.525 43.041 0.484 1
2 405 . 6 1 1 A 35 35 PRO CA C 30 62.707 62.449 0.258 1
2 406 . 6 1 1 A 35 35 PRO HA H 30 4.351 4.644 -0.293 1
2 407 . 6 1 1 A 35 35 PRO CB C 30 31.919 29.554 2.365 1
2 415 . 6 1 1 A 35 35 PRO C C 30 177.488 175.553 1.935 1
2 416 . 6 1 1 A 36 36 LYS N N 31 117.590 124.155 -6.565 1
2 417 . 6 1 1 A 36 36 LYS H H 31 8.380 8.252 0.128 1
2 418 . 6 1 1 A 36 36 LYS CA C 31 55.660 55.665 -0.005 1
2 419 . 6 1 1 A 36 36 LYS HA H 31 4.286 4.525 -0.239 1
2 420 . 6 1 1 A 36 36 LYS CB C 31 33.239 32.573 0.666 1
2 430 . 6 1 1 A 36 36 LYS C C 31 174.384 174.863 -0.479 1
2 431 . 6 1 1 A 37 37 GLN N N 32 118.260 121.454 -3.194 1
2 432 . 6 1 1 A 37 37 GLN H H 32 7.698 8.341 -0.643 1
2 433 . 6 1 1 A 37 37 GLN CA C 32 55.550 53.995 1.555 1
2 434 . 6 1 1 A 37 37 GLN HA H 32 4.376 4.909 -0.533 1
2 435 . 6 1 1 A 37 37 GLN CB C 32 28.221 31.522 -3.301 1
2 445 . 6 1 1 A 37 37 GLN C C 32 175.222 175.736 -0.514 1
2 446 . 6 1 1 A 38 38 GLY N N 33 109.855 108.653 1.202 1
2 447 . 6 1 1 A 38 38 GLY H H 33 8.449 8.315 0.134 1
2 448 . 6 1 1 A 38 38 GLY CA C 33 43.235 44.519 -1.284 1
2 449 . 6 1 1 A 38 38 GLY HA2 H 33 4.566 4.098 0.468 1
2 450 . 6 1 1 A 38 38 GLY HA3 H 33 3.789 4.099 -0.310 1
2 451 . 6 1 1 A 38 38 GLY C C 33 173.603 173.721 -0.118 1
2 452 . 6 1 1 A 39 39 LYS N N 34 117.627 122.412 -4.785 1
2 453 . 6 1 1 A 39 39 LYS H H 34 8.649 8.228 0.421 1
2 454 . 6 1 1 A 39 39 LYS CA C 34 54.563 54.747 -0.184 1
2 455 . 6 1 1 A 39 39 LYS HA H 34 4.394 4.599 -0.205 1
2 456 . 6 1 1 A 39 39 LYS CB C 34 32.892 34.385 -1.493 1
2 468 . 6 1 1 A 39 39 LYS C C 34 176.803 178.341 -1.538 1
2 469 . 6 1 1 A 40 40 LYS N N 35 121.705 122.682 -0.977 1
2 470 . 6 1 1 A 40 40 LYS H H 35 8.920 8.625 0.295 1
2 471 . 6 1 1 A 40 40 LYS CA C 35 61.559 59.298 2.261 1
2 472 . 6 1 1 A 40 40 LYS HA H 35 3.597 3.954 -0.357 1
2 473 . 6 1 1 A 40 40 LYS CB C 35 31.953 32.218 -0.265 1
2 485 . 6 1 1 A 40 40 LYS C C 35 177.362 178.390 -1.028 1
2 486 . 6 1 1 A 41 41 GLN N N 36 114.637 118.622 -3.985 1
2 487 . 6 1 1 A 41 41 GLN H H 36 9.017 7.924 1.093 1
2 488 . 6 1 1 A 41 41 GLN CA C 36 57.638 58.573 -0.935 1
2 489 . 6 1 1 A 41 41 GLN HA H 36 3.719 4.029 -0.310 1
2 490 . 6 1 1 A 41 41 GLN CB C 36 27.865 28.375 -0.510 1
2 500 . 6 1 1 A 41 41 GLN C C 36 176.975 178.597 -1.622 1
2 501 . 6 1 1 A 42 42 ASP N N 37 115.984 120.272 -4.288 1
2 502 . 6 1 1 A 42 42 ASP H H 37 7.049 7.919 -0.870 1
2 503 . 6 1 1 A 42 42 ASP CA C 37 56.424 57.314 -0.890 1
2 504 . 6 1 1 A 42 42 ASP HA H 37 4.303 4.419 -0.116 1
2 505 . 6 1 1 A 42 42 ASP CB C 37 39.955 40.931 -0.976 1
2 508 . 6 1 1 A 42 42 ASP C C 37 178.454 178.979 -0.525 1
2 509 . 6 1 1 A 43 43 LEU N N 38 119.074 120.642 -1.568 1
2 510 . 6 1 1 A 43 43 LEU H H 38 7.725 8.167 -0.442 1
2 511 . 6 1 1 A 43 43 LEU CA C 38 57.716 58.019 -0.303 1
2 512 . 6 1 1 A 43 43 LEU HA H 38 3.794 3.965 -0.171 1
2 513 . 6 1 1 A 43 43 LEU CB C 38 40.211 42.172 -1.961 1
2 526 . 6 1 1 A 43 43 LEU C C 38 177.872 178.989 -1.117 1
2 527 . 6 1 1 A 44 44 ILE N N 39 118.343 118.582 -0.239 1
2 528 . 6 1 1 A 44 44 ILE H H 39 7.867 8.147 -0.280 1
2 529 . 6 1 1 A 44 44 ILE CA C 39 66.211 65.481 0.730 1
2 530 . 6 1 1 A 44 44 ILE HA H 39 3.319 3.522 -0.203 1
2 531 . 6 1 1 A 44 44 ILE CB C 39 37.985 37.795 0.190 1
2 541 . 6 1 1 A 44 44 ILE C C 39 177.711 177.992 -0.281 1
2 542 . 6 1 1 A 45 45 ASP N N 40 118.535 120.500 -1.965 1
2 543 . 6 1 1 A 45 45 ASP H H 40 8.503 8.337 0.166 1
2 544 . 6 1 1 A 45 45 ASP CA C 40 56.817 57.275 -0.458 1
2 545 . 6 1 1 A 45 45 ASP HA H 40 4.256 4.385 -0.129 1
2 546 . 6 1 1 A 45 45 ASP CB C 40 39.815 41.087 -1.272 1
2 549 . 6 1 1 A 45 45 ASP C C 40 178.464 178.544 -0.080 1
2 550 . 6 1 1 A 46 46 ARG N N 41 120.910 120.471 0.439 1
2 551 . 6 1 1 A 46 46 ARG H H 41 7.717 7.979 -0.262 1
2 552 . 6 1 1 A 46 46 ARG CA C 41 59.054 58.925 0.129 1
2 553 . 6 1 1 A 46 46 ARG HA H 41 3.993 4.155 -0.162 1
2 554 . 6 1 1 A 46 46 ARG CB C 41 29.778 30.076 -0.298 1
2 563 . 6 1 1 A 46 46 ARG C C 41 177.565 178.620 -1.055 1
2 564 . 6 1 1 A 47 47 VAL N N 42 117.438 119.574 -2.136 1
2 565 . 6 1 1 A 47 47 VAL H H 42 7.445 8.289 -0.844 1
2 566 . 6 1 1 A 47 47 VAL CA C 42 66.095 66.304 -0.209 1
2 567 . 6 1 1 A 47 47 VAL HA H 42 3.446 3.669 -0.223 1
2 568 . 6 1 1 A 47 47 VAL CB C 42 31.113 31.679 -0.566 1
2 578 . 6 1 1 A 47 47 VAL C C 42 177.710 178.087 -0.377 1
2 579 . 6 1 1 A 48 48 LEU N N 43 117.085 117.739 -0.654 1
2 580 . 6 1 1 A 48 48 LEU H H 43 8.466 8.127 0.339 1
2 581 . 6 1 1 A 48 48 LEU CA C 43 57.406 57.878 -0.472 1
2 582 . 6 1 1 A 48 48 LEU HA H 43 3.851 3.916 -0.065 1
2 583 . 6 1 1 A 48 48 LEU CB C 43 40.779 41.232 -0.453 1
2 596 . 6 1 1 A 48 48 LEU C C 43 179.581 179.464 0.117 1
2 597 . 6 1 1 A 49 49 ALA N N 44 120.480 121.815 -1.335 1
2 598 . 6 1 1 A 49 49 ALA H H 44 7.952 8.065 -0.113 1
2 599 . 6 1 1 A 49 49 ALA CA C 44 53.998 54.366 -0.368 1
2 600 . 6 1 1 A 49 49 ALA HA H 44 4.104 4.139 -0.035 1
2 604 . 6 1 1 A 49 49 ALA CB C 44 17.685 18.331 -0.646 1
2 605 . 6 1 1 A 49 49 ALA C C 44 178.926 179.502 -0.576 1
2 606 . 6 1 1 A 50 50 LEU N N 45 115.306 120.408 -5.102 1
2 607 . 6 1 1 A 50 50 LEU H H 45 7.428 7.813 -0.385 1
2 608 . 6 1 1 A 50 50 LEU CA C 45 55.650 57.693 -2.043 1
2 609 . 6 1 1 A 50 50 LEU HA H 45 4.206 4.112 0.094 1
2 610 . 6 1 1 A 50 50 LEU CB C 45 41.937 41.899 0.038 1
2 623 . 6 1 1 A 50 50 LEU C C 45 177.840 178.684 -0.844 1
2 624 . 6 1 1 A 51 51 LEU N N 46 115.880 118.891 -3.011 1
2 625 . 6 1 1 A 51 51 LEU H H 46 7.642 7.915 -0.273 1
2 626 . 6 1 1 A 51 51 LEU CA C 46 54.861 55.894 -1.033 1
2 627 . 6 1 1 A 51 51 LEU HA H 46 4.260 4.198 0.062 1
2 628 . 6 1 1 A 51 51 LEU CB C 46 42.228 41.808 0.420 1
2 638 . 6 1 1 A 51 51 LEU C C 46 176.015 177.284 -1.269 1
2 639 . 6 1 1 A 52 52 THR N N 47 109.201 112.516 -3.315 1
2 640 . 6 1 1 A 52 52 THR H H 47 7.515 7.491 0.024 1
2 641 . 6 1 1 A 52 52 THR CA C 47 60.972 64.410 -3.438 1
2 642 . 6 1 1 A 52 52 THR HA H 47 4.345 4.297 0.048 1
2 643 . 6 1 1 A 52 52 THR CB C 47 69.620 69.738 -0.118 1
2 649 . 6 1 1 A 52 52 THR C C 47 173.733 175.134 -1.401 1
2 650 . 6 1 1 A 53 53 ASP N N 48 122.188 118.320 3.868 1
2 651 . 6 1 1 A 53 53 ASP H H 48 8.280 8.098 0.182 1
2 652 . 6 1 1 A 53 53 ASP CA C 48 54.205 55.508 -1.303 1
2 653 . 6 1 1 A 53 53 ASP HA H 48 4.686 4.488 0.198 1
2 654 . 6 1 1 A 53 53 ASP CB C 48 40.766 41.025 -0.259 1
2 658 . 6 1 1 A 53 53 ASP C C 48 176.000 176.621 -0.621 1
2 659 . 6 1 1 A 54 54 GLU N N 49 121.966 118.795 3.171 1
2 660 . 6 1 1 A 54 54 GLU H H 49 8.589 7.813 0.776 1
2 661 . 6 1 1 A 54 54 GLU CA C 49 56.448 55.601 0.847 1
2 662 . 6 1 1 A 54 54 GLU HA H 49 4.234 4.663 -0.429 1
2 663 . 6 1 1 A 54 54 GLU CB C 49 29.642 30.853 -1.211 1
2 669 . 6 1 1 A 54 54 GLU C C 49 176.522 176.694 -0.172 1
2 670 . 6 1 1 A 55 55 GLN N N 50 120.727 118.672 2.055 1
2 671 . 6 1 1 A 55 55 GLN H H 50 8.642 7.894 0.748 1
2 672 . 6 1 1 A 55 55 GLN CA C 50 56.251 55.321 0.930 1
2 673 . 6 1 1 A 55 55 GLN HA H 50 4.217 4.153 0.064 1
2 674 . 6 1 1 A 55 55 GLN CB C 50 28.555 28.514 0.041 1
2 684 . 6 1 1 A 55 55 GLN C C 50 176.519 175.993 0.526 1
2 685 . 6 1 1 A 56 56 GLY N N 51 109.357 108.011 1.346 1
2 686 . 6 1 1 A 56 56 GLY H H 51 8.519 7.902 0.617 1
2 687 . 6 1 1 A 56 56 GLY CA C 51 45.276 45.326 -0.050 1
2 688 . 6 1 1 A 56 56 GLY HA2 H 51 3.950 3.962 -0.012 1
2 689 . 6 1 1 A 56 56 GLY HA3 H 51 3.809 4.095 -0.286 1
2 690 . 6 1 1 A 56 56 GLY C C 51 174.146 175.580 -1.434 1
2 691 . 6 1 1 A 57 57 GLN N N 52 119.207 118.902 0.305 1
2 692 . 6 1 1 A 57 57 GLN H H 52 8.263 8.255 0.008 1
2 693 . 6 1 1 A 57 57 GLN CA C 52 55.572 58.447 -2.875 1
2 694 . 6 1 1 A 57 57 GLN HA H 52 4.203 4.152 0.051 1
2 695 . 6 1 1 A 57 57 GLN CB C 52 28.656 29.104 -0.448 1
2 705 . 6 1 1 A 57 57 GLN C C 52 175.872 176.772 -0.900 1
2 706 . 6 1 1 A 58 58 ARG N N 53 120.525 113.814 6.711 1
2 707 . 6 1 1 A 58 58 ARG H H 53 8.279 7.744 0.535 1
2 708 . 6 1 1 A 58 58 ARG CA C 53 55.883 55.277 0.606 1
2 709 . 6 1 1 A 58 58 ARG HA H 53 4.176 4.729 -0.553 1
2 710 . 6 1 1 A 58 58 ARG CB C 53 30.031 30.293 -0.262 1
2 721 . 6 1 1 A 58 58 ARG C C 53 175.820 174.553 1.267 1
2 722 . 6 1 1 A 59 59 HIS N N 54 118.905 121.715 -2.810 1
2 723 . 6 1 1 A 59 59 HIS H H 54 8.398 8.633 -0.235 1
2 724 . 6 1 1 A 59 59 HIS CA C 54 54.908 55.597 -0.689 1
2 725 . 6 1 1 A 59 59 HIS HA H 54 4.548 4.926 -0.378 1
2 726 . 6 1 1 A 59 59 HIS CB C 54 28.953 30.506 -1.553 1
2 729 . 6 1 1 A 59 59 HIS C C 54 174.136 173.666 0.470 1
2 730 . 6 1 1 A 60 60 HIS N N 55 119.527 121.219 -1.692 1
2 731 . 6 1 1 A 60 60 HIS H H 55 8.493 8.801 -0.308 1
2 732 . 6 1 1 A 60 60 HIS CA C 55 55.274 55.788 -0.514 1
2 733 . 6 1 1 A 60 60 HIS HA H 55 4.552 3.838 0.714 1
2 734 . 6 1 1 A 60 60 HIS CB C 55 28.913 30.465 -1.552 1
2 737 . 6 1 1 A 60 60 HIS C C 55 174.595 175.130 -0.535 1
2 738 . 6 1 1 A 61 61 GLY N N 56 110.215 108.709 1.506 1
2 739 . 6 1 1 A 61 61 GLY H H 56 8.604 7.485 1.119 1
2 740 . 6 1 1 A 61 61 GLY CA C 56 44.977 45.197 -0.220 1
2 741 . 6 1 1 A 61 61 GLY HA2 H 56 3.956 3.388 0.568 1
2 742 . 6 1 1 A 61 61 GLY HA3 H 56 3.831 3.424 0.407 1
2 743 . 6 1 1 A 61 61 GLY C C 56 173.752 174.331 -0.579 1
2 744 . 6 1 1 A 62 62 TRP N N 57 120.700 118.025 2.675 1
2 745 . 6 1 1 A 62 62 TRP H H 57 8.175 7.443 0.732 1
2 746 . 6 1 1 A 62 62 TRP CA C 57 56.929 58.262 -1.333 1
2 747 . 6 1 1 A 62 62 TRP HA H 57 4.663 4.674 -0.011 1
2 748 . 6 1 1 A 62 62 TRP CB C 57 29.142 31.348 -2.206 1
2 763 . 6 1 1 A 62 62 TRP C C 57 176.442 177.317 -0.875 1
2 764 . 6 1 1 A 63 63 GLY N N 58 110.195 108.726 1.469 1
2 765 . 6 1 1 A 63 63 GLY H H 58 8.452 8.357 0.095 1
2 766 . 6 1 1 A 63 63 GLY CA C 58 45.052 45.412 -0.360 1
2 767 . 6 1 1 A 63 63 GLY HA2 H 58 3.925 4.050 -0.125 1
2 768 . 6 1 1 A 63 63 GLY HA3 H 58 3.833 4.074 -0.241 1
2 769 . 6 1 1 A 63 63 GLY C C 58 173.738 174.947 -1.209 1
2 770 . 6 1 1 A 64 64 ARG N N 59 120.374 119.174 1.200 1
2 771 . 6 1 1 A 64 64 ARG H H 59 8.136 8.738 -0.602 1
2 772 . 6 1 1 A 64 64 ARG CA C 59 55.799 57.454 -1.655 1
2 773 . 6 1 1 A 64 64 ARG HA H 59 4.287 4.145 0.142 1
2 774 . 6 1 1 A 64 64 ARG CB C 59 30.371 28.270 2.101 1
2 785 . 6 1 1 A 64 64 ARG C C 59 176.287 175.383 0.904 1
2 786 . 6 1 1 A 65 65 LYS N N 60 121.593 118.698 2.895 1
2 787 . 6 1 1 A 65 65 LYS H H 60 8.483 7.945 0.538 1
2 788 . 6 1 1 A 65 65 LYS CA C 60 56.353 55.409 0.944 1
2 789 . 6 1 1 A 65 65 LYS HA H 60 4.218 4.548 -0.330 1
2 790 . 6 1 1 A 65 65 LYS CB C 60 32.260 33.563 -1.303 1
2 796 . 6 1 1 A 65 65 LYS C C 60 176.102 177.551 -1.449 1
2 797 . 6 1 1 A 66 66 ASN N N 61 118.654 117.966 0.688 1
2 798 . 6 1 1 A 66 66 ASN H H 61 8.413 7.960 0.453 1
2 799 . 6 1 1 A 66 66 ASN CA C 61 53.055 52.909 0.146 1
2 800 . 6 1 1 A 66 66 ASN HA H 61 4.639 4.647 -0.008 1
2 801 . 6 1 1 A 66 66 ASN CB C 61 38.385 38.427 -0.042 1
2 808 . 6 1 1 A 66 66 ASN C C 61 174.531 175.341 -0.810 1
2 809 . 6 1 1 A 67 67 SER N N 62 115.491 111.374 4.117 1
2 810 . 6 1 1 A 67 67 SER H H 62 8.288 8.131 0.157 1
2 811 . 6 1 1 A 67 67 SER CA C 62 57.980 59.639 -1.659 1
2 812 . 6 1 1 A 67 67 SER HA H 62 4.283 4.267 0.016 1
2 813 . 6 1 1 A 67 67 SER CB C 62 63.205 61.079 2.126 1
2 816 . 6 1 1 A 67 67 SER C C 62 173.864 173.962 -0.098 1
2 817 . 6 1 1 A 68 68 LEU N N 63 123.549 116.351 7.198 1
2 818 . 6 1 1 A 68 68 LEU H H 63 8.063 7.873 0.190 1
2 819 . 6 1 1 A 68 68 LEU CA C 63 54.098 54.017 0.081 1
2 820 . 6 1 1 A 68 68 LEU HA H 63 4.481 4.650 -0.169 1
2 821 . 6 1 1 A 68 68 LEU CB C 63 42.494 42.843 -0.349 1
2 834 . 6 1 1 A 68 68 LEU C C 63 176.532 176.129 0.403 1
2 835 . 6 1 1 A 69 69 THR N N 64 112.637 111.017 1.620 1
2 836 . 6 1 1 A 69 69 THR H H 64 7.797 7.438 0.359 1
2 837 . 6 1 1 A 69 69 THR CA C 64 59.915 59.509 0.406 1
2 838 . 6 1 1 A 69 69 THR HA H 64 4.490 4.626 -0.136 1
2 839 . 6 1 1 A 69 69 THR CB C 64 70.852 71.804 -0.952 1
2 845 . 6 1 1 A 69 69 THR C C 64 174.998 175.710 -0.712 1
2 846 . 6 1 1 A 70 70 LYS N N 65 120.128 119.714 0.414 1
2 847 . 6 1 1 A 70 70 LYS H H 65 9.059 9.012 0.047 1
2 848 . 6 1 1 A 70 70 LYS CA C 65 59.535 58.952 0.583 1
2 849 . 6 1 1 A 70 70 LYS HA H 65 3.909 3.982 -0.073 1
2 850 . 6 1 1 A 70 70 LYS CB C 65 31.890 31.744 0.146 1
2 858 . 6 1 1 A 70 70 LYS C C 65 177.536 178.723 -1.187 1
2 859 . 6 1 1 A 71 71 GLU N N 66 117.667 120.153 -2.486 1
2 860 . 6 1 1 A 71 71 GLU H H 66 8.699 8.296 0.403 1
2 861 . 6 1 1 A 71 71 GLU CA C 66 60.199 59.055 1.144 1
2 862 . 6 1 1 A 71 71 GLU HA H 66 3.806 4.054 -0.248 1
2 863 . 6 1 1 A 71 71 GLU CB C 66 27.986 29.726 -1.740 1
2 870 . 6 1 1 A 71 71 GLU C C 66 178.416 178.910 -0.494 1
2 871 . 6 1 1 A 72 72 ALA N N 67 123.924 122.194 1.730 1
2 872 . 6 1 1 A 72 72 ALA H H 67 7.992 7.432 0.560 1
2 873 . 6 1 1 A 72 72 ALA CA C 67 54.477 54.803 -0.326 1
2 874 . 6 1 1 A 72 72 ALA HA H 67 4.110 4.068 0.042 1
2 878 . 6 1 1 A 72 72 ALA CB C 67 18.301 18.811 -0.510 1
2 879 . 6 1 1 A 72 72 ALA C C 67 178.721 179.391 -0.670 1
2 880 . 6 1 1 A 73 73 VAL N N 68 119.434 117.999 1.435 1
2 881 . 6 1 1 A 73 73 VAL H H 68 8.044 8.052 -0.008 1
2 882 . 6 1 1 A 73 73 VAL CA C 68 66.089 66.538 -0.449 1
2 883 . 6 1 1 A 73 73 VAL HA H 68 3.473 3.540 -0.067 1
2 884 . 6 1 1 A 73 73 VAL CB C 68 31.150 31.592 -0.442 1
2 894 . 6 1 1 A 73 73 VAL C C 68 177.001 178.366 -1.365 1
2 895 . 6 1 1 A 74 74 ALA N N 69 120.671 121.413 -0.742 1
2 896 . 6 1 1 A 74 74 ALA H H 69 8.407 8.214 0.193 1
2 897 . 6 1 1 A 74 74 ALA CA C 69 54.727 54.992 -0.265 1
2 898 . 6 1 1 A 74 74 ALA HA H 69 3.968 4.118 -0.150 1
2 902 . 6 1 1 A 74 74 ALA CB C 69 18.066 18.167 -0.101 1
2 903 . 6 1 1 A 74 74 ALA C C 69 178.820 179.710 -0.890 1
2 904 . 6 1 1 A 75 75 LYS N N 70 118.624 118.122 0.502 1
2 905 . 6 1 1 A 75 75 LYS H H 70 7.930 7.851 0.079 1
2 906 . 6 1 1 A 75 75 LYS CA C 70 58.807 59.705 -0.898 1
2 907 . 6 1 1 A 75 75 LYS HA H 70 4.086 4.033 0.053 1
2 908 . 6 1 1 A 75 75 LYS CB C 70 31.776 32.296 -0.520 1
2 918 . 6 1 1 A 75 75 LYS C C 70 177.424 179.114 -1.690 1
2 919 . 6 1 1 A 76 76 ILE N N 71 120.234 119.880 0.354 1
2 920 . 6 1 1 A 76 76 ILE H H 71 7.478 7.798 -0.320 1
2 921 . 6 1 1 A 76 76 ILE CA C 71 64.885 64.622 0.263 1
2 922 . 6 1 1 A 76 76 ILE HA H 71 3.960 3.745 0.215 1
2 923 . 6 1 1 A 76 76 ILE CB C 71 37.810 37.189 0.621 1
2 936 . 6 1 1 A 76 76 ILE C C 71 179.734 178.129 1.605 1
2 937 . 6 1 1 A 77 77 VAL N N 72 122.502 120.231 2.271 1
2 938 . 6 1 1 A 77 77 VAL H H 72 8.325 8.007 0.318 1
2 939 . 6 1 1 A 77 77 VAL CA C 72 67.450 66.613 0.837 1
2 940 . 6 1 1 A 77 77 VAL HA H 72 3.576 3.508 0.068 1
2 941 . 6 1 1 A 77 77 VAL CB C 72 30.928 31.586 -0.658 1
2 951 . 6 1 1 A 77 77 VAL C C 72 176.906 177.726 -0.820 1
2 952 . 6 1 1 A 78 78 ASP N N 73 120.524 120.460 0.064 1
2 953 . 6 1 1 A 78 78 ASP H H 73 8.798 8.165 0.633 1
2 954 . 6 1 1 A 78 78 ASP CA C 73 58.206 56.810 1.396 1
2 955 . 6 1 1 A 78 78 ASP HA H 73 4.379 4.538 -0.159 1
2 956 . 6 1 1 A 78 78 ASP CB C 73 41.420 40.762 0.658 1
2 960 . 6 1 1 A 78 78 ASP C C 73 178.068 178.538 -0.470 1
2 961 . 6 1 1 A 79 79 ASP N N 74 119.761 119.922 -0.161 1
2 962 . 6 1 1 A 79 79 ASP H H 74 9.318 8.117 1.201 1
2 963 . 6 1 1 A 79 79 ASP CA C 74 57.025 57.325 -0.300 1
2 964 . 6 1 1 A 79 79 ASP HA H 74 4.404 4.422 -0.018 1
2 965 . 6 1 1 A 79 79 ASP CB C 74 40.007 41.077 -1.070 1
2 969 . 6 1 1 A 79 79 ASP C C 74 178.813 178.700 0.113 1
2 970 . 6 1 1 A 80 80 THR N N 75 117.342 117.045 0.297 1
2 971 . 6 1 1 A 80 80 THR H H 75 8.084 8.494 -0.410 1
2 972 . 6 1 1 A 80 80 THR CA C 75 66.977 66.710 0.267 1
2 973 . 6 1 1 A 80 80 THR HA H 75 3.826 3.970 -0.144 1
2 974 . 6 1 1 A 80 80 THR CB C 75 67.725 68.274 -0.549 1
2 980 . 6 1 1 A 80 80 THR C C 75 175.367 176.158 -0.791 1
2 981 . 6 1 1 A 81 81 TYR N N 76 123.732 122.144 1.588 1
2 982 . 6 1 1 A 81 81 TYR H H 76 8.830 8.142 0.688 1
2 983 . 6 1 1 A 81 81 TYR CA C 76 61.713 61.775 -0.062 1
2 984 . 6 1 1 A 81 81 TYR HA H 76 4.265 4.456 -0.191 1
2 985 . 6 1 1 A 81 81 TYR CB C 76 38.849 38.657 0.192 1
2 994 . 6 1 1 A 81 81 TYR C C 76 176.700 177.581 -0.881 1
2 995 . 6 1 1 A 82 82 ARG N N 77 118.508 119.871 -1.363 1
2 996 . 6 1 1 A 82 82 ARG H H 77 8.754 8.879 -0.125 1
2 997 . 6 1 1 A 82 82 ARG CA C 77 58.792 58.753 0.039 1
2 998 . 6 1 1 A 82 82 ARG HA H 77 3.890 3.954 -0.064 1
2 999 . 6 1 1 A 82 82 ARG CB C 77 29.498 30.394 -0.896 1
2 1015 . 6 1 1 A 82 82 ARG C C 77 178.748 177.858 0.890 1
2 1016 . 6 1 1 A 83 83 LYS N N 78 118.079 118.379 -0.300 1
2 1017 . 6 1 1 A 83 83 LYS H H 78 7.696 8.040 -0.344 1
2 1018 . 6 1 1 A 83 83 LYS CA C 78 58.671 58.898 -0.227 1
2 1019 . 6 1 1 A 83 83 LYS HA H 78 4.024 4.102 -0.078 1
2 1020 . 6 1 1 A 83 83 LYS CB C 78 32.057 32.030 0.027 1
2 1026 . 6 1 1 A 83 83 LYS C C 78 177.743 179.025 -1.282 1
2 1027 . 6 1 1 A 84 84 MET N N 79 118.241 119.234 -0.993 1
2 1028 . 6 1 1 A 84 84 MET H H 79 7.748 7.943 -0.195 1
2 1029 . 6 1 1 A 84 84 MET CA C 79 57.209 58.531 -1.322 1
2 1030 . 6 1 1 A 84 84 MET HA H 79 4.170 4.258 -0.088 1
2 1031 . 6 1 1 A 84 84 MET CB C 79 32.320 32.798 -0.478 1
2 1041 . 6 1 1 A 84 84 MET C C 79 177.036 176.949 0.087 1
2 1042 . 6 1 1 A 85 85 GLN N N 80 117.242 115.183 2.059 1
2 1043 . 6 1 1 A 85 85 GLN H H 80 7.843 7.425 0.418 1
2 1044 . 6 1 1 A 85 85 GLN CA C 80 56.523 54.535 1.988 1
2 1045 . 6 1 1 A 85 85 GLN HA H 80 3.993 4.539 -0.546 1
2 1046 . 6 1 1 A 85 85 GLN CB C 80 28.240 30.089 -1.849 1
2 1056 . 6 1 1 A 85 85 GLN C C 80 176.690 174.875 1.815 1
2 1057 . 6 1 1 A 86 86 ILE N N 81 119.178 117.526 1.652 1
2 1058 . 6 1 1 A 86 86 ILE H H 81 7.715 7.631 0.084 1
2 1059 . 6 1 1 A 86 86 ILE CA C 81 62.073 61.857 0.216 1
2 1060 . 6 1 1 A 86 86 ILE HA H 81 3.934 3.699 0.235 1
2 1061 . 6 1 1 A 86 86 ILE CB C 81 37.966 36.865 1.101 1
2 1074 . 6 1 1 A 86 86 ILE C C 81 176.673 174.757 1.916 1
2 1075 . 6 1 1 A 87 87 GLN N N 82 121.386 123.428 -2.042 1
2 1076 . 6 1 1 A 87 87 GLN H H 82 8.164 7.756 0.408 1
2 1077 . 6 1 1 A 87 87 GLN CA C 82 55.968 55.501 0.467 1
2 1078 . 6 1 1 A 87 87 GLN HA H 82 4.214 4.210 0.004 1
2 1079 . 6 1 1 A 87 87 GLN CB C 82 28.735 29.532 -0.797 1
2 1088 . 6 1 1 A 87 87 GLN C C 82 175.836 175.071 0.765 1
2 1089 . 6 1 1 A 88 88 CYS N N 83 118.663 121.471 -2.808 1
2 1090 . 6 1 1 A 88 88 CYS H H 83 8.238 8.422 -0.184 1
2 1091 . 6 1 1 A 88 88 CYS CA C 83 57.997 57.822 0.175 1
2 1092 . 6 1 1 A 88 88 CYS HA H 83 4.467 4.473 -0.006 1
2 1093 . 6 1 1 A 88 88 CYS CB C 83 27.582 26.019 1.563 1
2 1096 . 6 1 1 A 88 88 CYS C C 83 173.432 173.830 -0.398 1
2 1097 . 6 1 1 A 89 89 ALA N N 84 127.014 121.663 5.351 1
2 1098 . 6 1 1 A 89 89 ALA H H 84 8.249 7.998 0.251 1
2 1099 . 6 1 1 A 89 89 ALA CA C 84 50.607 52.827 -2.220 1
2 1100 . 6 1 1 A 89 89 ALA HA H 84 4.544 3.999 0.545 1
2 1104 . 6 1 1 A 89 89 ALA CB C 84 17.658 17.638 0.020 1
2 1105 . 6 1 1 A 89 89 ALA C C 84 175.125 178.069 -2.944 1
2 1107 . 6 1 1 A 90 90 PRO CA C 85 62.995 63.791 -0.796 1
2 1108 . 6 1 1 A 90 90 PRO HA H 85 4.373 4.395 -0.022 1
2 1109 . 6 1 1 A 90 90 PRO CB C 85 31.692 32.145 -0.453 1
2 1117 . 6 1 1 A 90 90 PRO C C 85 176.407 176.274 0.133 1
2 1118 . 6 1 1 A 91 91 ASP N N 86 119.209 116.089 3.120 1
2 1119 . 6 1 1 A 91 91 ASP H H 86 8.429 8.184 0.245 1
2 1120 . 6 1 1 A 91 91 ASP CA C 86 53.752 54.696 -0.944 1
2 1121 . 6 1 1 A 91 91 ASP HA H 86 4.394 4.315 0.079 1
2 1122 . 6 1 1 A 91 91 ASP CB C 86 40.319 39.093 1.226 1
2 1125 . 6 1 1 A 91 91 ASP C C 86 176.101 176.197 -0.096 1
2 1126 . 6 1 1 A 92 92 LEU N N 87 122.571 120.536 2.035 1
2 1127 . 6 1 1 A 92 92 LEU H H 87 8.208 7.931 0.277 1
2 1128 . 6 1 1 A 92 92 LEU CA C 87 55.286 57.904 -2.618 1
2 1129 . 6 1 1 A 92 92 LEU HA H 87 4.204 4.037 0.167 1
2 1130 . 6 1 1 A 92 92 LEU CB C 87 41.786 42.408 -0.622 1
2 1143 . 6 1 1 A 92 92 LEU C C 87 177.406 177.250 0.156 1
2 1144 . 6 1 1 A 93 93 ALA N N 88 123.131 116.891 6.240 1
2 1145 . 6 1 1 A 93 93 ALA H H 88 8.305 7.652 0.653 1
2 1146 . 6 1 1 A 93 93 ALA CA C 88 52.876 53.032 -0.156 1
2 1147 . 6 1 1 A 93 93 ALA HA H 88 4.263 4.533 -0.270 1
2 1151 . 6 1 1 A 93 93 ALA CB C 88 18.672 20.009 -1.337 1
2 1152 . 6 1 1 A 93 93 ALA C C 88 178.033 177.513 0.520 1
2 1153 . 6 1 1 A 94 94 THR N N 89 112.097 108.337 3.760 1
2 1154 . 6 1 1 A 94 94 THR H H 89 7.994 8.188 -0.194 1
2 1155 . 6 1 1 A 94 94 THR CA C 89 61.640 62.088 -0.448 1
2 1156 . 6 1 1 A 94 94 THR HA H 89 4.251 4.472 -0.221 1
2 1157 . 6 1 1 A 94 94 THR CB C 89 69.063 70.838 -1.775 1
2 1163 . 6 1 1 A 94 94 THR C C 89 174.493 175.107 -0.614 1
2 1164 . 6 1 1 A 95 95 ARG N N 90 122.704 117.695 5.009 1
2 1165 . 6 1 1 A 95 95 ARG H H 90 8.211 8.177 0.034 1
2 1166 . 6 1 1 A 95 95 ARG CA C 90 55.718 57.458 -1.740 1
2 1167 . 6 1 1 A 95 95 ARG HA H 90 4.324 3.913 0.411 1
2 1168 . 6 1 1 A 95 95 ARG CB C 90 30.309 27.234 3.075 1
2 1179 . 6 1 1 A 95 95 ARG C C 90 175.927 175.508 0.419 1
2 1180 . 6 1 1 A 96 96 SER N N 91 116.390 112.936 3.454 1
2 1181 . 6 1 1 A 96 96 SER H H 91 8.365 7.893 0.472 1
2 1182 . 6 1 1 A 96 96 SER CA C 91 57.823 59.377 -1.554 1
2 1183 . 6 1 1 A 96 96 SER HA H 91 4.356 4.821 -0.465 1
2 1184 . 6 1 1 A 96 96 SER CB C 91 63.214 64.306 -1.092 1
2 1187 . 6 1 1 A 96 96 SER C C 91 174.011 174.586 -0.575 1
2 1188 . 6 1 1 A 97 97 HIS N N 92 120.507 119.511 0.996 1
2 1189 . 6 1 1 A 97 97 HIS H H 92 8.541 8.136 0.405 1
2 1190 . 6 1 1 A 97 97 HIS CA C 92 54.960 56.947 -1.987 1
2 1191 . 6 1 1 A 97 97 HIS HA H 92 4.704 4.130 0.574 1
2 1192 . 6 1 1 A 97 97 HIS CB C 92 28.518 28.446 0.072 1
2 1197 . 6 1 1 A 97 97 HIS C C 92 174.186 174.417 -0.231 1
2 1198 . 6 1 1 A 98 98 SER N N 93 116.801 113.130 3.671 1
2 1199 . 6 1 1 A 98 98 SER H H 93 8.455 8.231 0.224 1
2 1200 . 6 1 1 A 98 98 SER CA C 93 57.880 59.241 -1.361 1
2 1201 . 6 1 1 A 98 98 SER HA H 93 4.445 4.026 0.419 1
2 1202 . 6 1 1 A 98 98 SER CB C 93 63.434 62.210 1.224 1
2 1205 . 6 1 1 A 98 98 SER C C 93 174.508 173.461 1.047 1
2 1206 . 6 1 1 A 99 99 GLY N N 94 111.114 107.145 3.969 1
2 1207 . 6 1 1 A 99 99 GLY H H 94 8.597 8.217 0.380 1
2 1208 . 6 1 1 A 99 99 GLY CA C 94 44.888 45.559 -0.671 1
2 1209 . 6 1 1 A 99 99 GLY HA2 H 94 3.998 4.191 -0.193 1
2 1210 . 6 1 1 A 99 99 GLY HA3 H 94 3.998 4.206 -0.208 1
2 1211 . 6 1 1 A 99 99 GLY C C 94 173.856 174.499 -0.643 1
2 1212 . 6 1 1 A 100 100 SER N N 95 115.398 114.617 0.781 1
2 1213 . 6 1 1 A 100 100 SER H H 95 8.311 7.960 0.351 1
2 1214 . 6 1 1 A 100 100 SER CA C 95 57.888 57.475 0.413 1
2 1215 . 6 1 1 A 100 100 SER HA H 95 4.408 4.782 -0.374 1
2 1216 . 6 1 1 A 100 100 SER CB C 95 63.328 64.864 -1.536 1
2 1219 . 6 1 1 A 100 100 SER C C 95 173.725 174.251 -0.526 1
2 1220 . 6 1 1 A 101 101 ASP N N 96 121.810 118.687 3.123 1
2 1221 . 6 1 1 A 101 101 ASP H H 96 8.380 8.427 -0.047 1
2 1222 . 6 1 1 A 101 101 ASP CA C 96 53.813 55.501 -1.688 1
2 1223 . 6 1 1 A 101 101 ASP HA H 96 4.536 4.322 0.214 1
2 1224 . 6 1 1 A 101 101 ASP CB C 96 40.438 39.209 1.229 1
2 1227 . 6 1 1 A 101 101 ASP C C 96 175.524 175.921 -0.397 1
2 1228 . 6 1 1 A 102 102 PHE N N 97 120.706 116.709 3.997 1
2 1229 . 6 1 1 A 102 102 PHE H H 97 8.249 8.515 -0.266 1
2 1230 . 6 1 1 A 102 102 PHE CA C 97 57.323 58.876 -1.553 1
2 1231 . 6 1 1 A 102 102 PHE HA H 97 4.527 4.071 0.456 1
2 1232 . 6 1 1 A 102 102 PHE CB C 97 38.989 37.795 1.194 1
2 1238 . 6 1 1 A 102 102 PHE C C 97 175.246 174.636 0.610 1
2 1239 . 6 1 1 A 103 103 SER N N 98 116.992 109.262 7.730 1
2 1240 . 6 1 1 A 103 103 SER H H 98 8.167 8.912 -0.745 1
2 1241 . 6 1 1 A 103 103 SER CA C 98 57.883 58.735 -0.852 1
2 1242 . 6 1 1 A 103 103 SER HA H 98 4.317 4.158 0.159 1
2 1243 . 6 1 1 A 103 103 SER CB C 98 63.301 61.703 1.598 1
2 1246 . 6 1 1 A 103 103 SER C C 98 173.244 173.824 -0.580 1
2 1247 . 6 1 1 A 104 104 PHE N N 99 122.000 122.392 -0.392 1
2 1248 . 6 1 1 A 104 104 PHE H H 99 8.170 8.203 -0.033 1
2 1249 . 6 1 1 A 104 104 PHE CA C 99 57.236 56.481 0.755 1
2 1250 . 6 1 1 A 104 104 PHE HA H 99 4.529 4.720 -0.191 1
2 1251 . 6 1 1 A 104 104 PHE CB C 99 38.997 36.718 2.279 1
2 1257 . 6 1 1 A 104 104 PHE C C 99 174.632 175.660 -1.028 1
2 1258 . 6 1 1 A 105 105 ARG N N 100 124.796 125.224 -0.428 1
2 1259 . 6 1 1 A 105 105 ARG H H 100 8.101 8.587 -0.486 1
2 1260 . 6 1 1 A 105 105 ARG CA C 100 52.969 54.483 -1.514 1
2 1261 . 6 1 1 A 105 105 ARG HA H 100 4.516 4.349 0.167 1
2 1262 . 6 1 1 A 105 105 ARG CB C 100 30.069 30.837 -0.768 1
2 1271 . 6 1 1 A 105 105 ARG C C 100 172.924 174.902 -1.978 1
2 1273 . 6 1 1 A 106 106 PRO CA C 101 62.673 62.389 0.284 1
2 1274 . 6 1 1 A 106 106 PRO HA H 101 4.351 4.717 -0.366 1
2 1275 . 6 1 1 A 106 106 PRO CB C 101 31.726 33.405 -1.679 1
2 1283 . 6 1 1 A 106 106 PRO C C 101 176.395 176.470 -0.075 1
2 1284 . 6 1 1 A 107 107 ILE N N 102 121.380 120.927 0.453 1
2 1285 . 6 1 1 A 107 107 ILE H H 102 8.350 8.498 -0.148 1
2 1286 . 6 1 1 A 107 107 ILE CA C 102 60.940 60.335 0.605 1
2 1287 . 6 1 1 A 107 107 ILE HA H 102 4.039 4.687 -0.648 1
2 1288 . 6 1 1 A 107 107 ILE CB C 102 38.204 38.860 -0.656 1
2 1301 . 6 1 1 A 107 107 ILE C C 102 175.990 176.424 -0.434 1
2 1302 . 6 1 1 A 108 108 GLU N N 103 124.836 123.260 1.576 1
2 1303 . 6 1 1 A 108 108 GLU H H 103 8.578 8.236 0.342 1
2 1304 . 6 1 1 A 108 108 GLU CA C 103 55.883 59.243 -3.360 1
2 1305 . 6 1 1 A 108 108 GLU HA H 103 4.280 3.978 0.302 1
2 1306 . 6 1 1 A 108 108 GLU CB C 103 29.902 30.209 -0.307 1
2 1312 . 6 1 1 A 108 108 GLU C C 103 175.670 176.703 -1.033 1
2 1313 . 6 1 1 A 109 109 GLU N N 104 122.847 113.434 9.413 1
2 1314 . 6 1 1 A 109 109 GLU H H 104 8.459 7.821 0.638 1
2 1315 . 6 1 1 A 109 109 GLU CA C 104 55.902 55.671 0.231 1
2 1316 . 6 1 1 A 109 109 GLU HA H 104 4.267 4.524 -0.257 1
2 1317 . 6 1 1 A 109 109 GLU CB C 104 29.985 29.872 0.113 1
2 1322 . 6 1 1 A 109 109 GLU C C 104 174.661 176.193 -1.532 1
2 3 . 7 1 1 A 2 2 SER N N -4 115.528 109.793 5.735 1
2 4 . 7 1 1 A 2 2 SER H H -4 8.751 7.815 0.936 1
2 5 . 7 1 1 A 2 2 SER CA C -4 57.687 56.945 0.742 1
2 6 . 7 1 1 A 2 2 SER HA H -4 4.451 4.373 0.078 1
2 7 . 7 1 1 A 2 2 SER CB C -4 63.389 64.738 -1.349 1
2 8 . 7 1 1 A 2 2 SER C C -4 173.913 172.729 1.184 1
2 9 . 7 1 1 A 3 3 HIS N N -3 120.998 119.651 1.347 1
2 10 . 7 1 1 A 3 3 HIS H H -3 8.769 8.251 0.518 1
2 11 . 7 1 1 A 3 3 HIS CA C -3 55.010 55.218 -0.208 1
2 12 . 7 1 1 A 3 3 HIS HA H -3 4.707 4.797 -0.090 1
2 13 . 7 1 1 A 3 3 HIS CB C -3 28.916 28.669 0.247 1
2 16 . 7 1 1 A 3 3 HIS C C -3 174.207 174.526 -0.319 1
2 17 . 7 1 1 A 4 4 MET N N -2 122.227 124.785 -2.558 1
2 18 . 7 1 1 A 4 4 MET H H -2 8.518 8.523 -0.005 1
2 19 . 7 1 1 A 4 4 MET CA C -2 55.014 54.092 0.922 1
2 20 . 7 1 1 A 4 4 MET HA H -2 4.418 4.717 -0.299 1
2 21 . 7 1 1 A 4 4 MET CB C -2 32.678 33.405 -0.727 1
2 31 . 7 1 1 A 4 4 MET C C -2 175.481 175.474 0.007 1
2 49 . 7 1 1 A 7 7 ALA N N 2 124.549 123.443 1.106 1
2 50 . 7 1 1 A 7 7 ALA H H 2 8.453 8.331 0.122 1
2 51 . 7 1 1 A 7 7 ALA CA C 2 53.221 54.898 -1.677 1
2 52 . 7 1 1 A 7 7 ALA HA H 2 4.194 4.072 0.122 1
2 56 . 7 1 1 A 7 7 ALA CB C 2 18.431 18.257 0.174 1
2 57 . 7 1 1 A 7 7 ALA C C 2 178.162 179.770 -1.608 1
2 58 . 7 1 1 A 8 8 ASP N N 3 118.618 118.388 0.230 1
2 59 . 7 1 1 A 8 8 ASP H H 3 8.064 7.995 0.069 1
2 60 . 7 1 1 A 8 8 ASP CA C 3 54.124 57.276 -3.152 1
2 61 . 7 1 1 A 8 8 ASP HA H 3 4.539 4.504 0.035 1
2 62 . 7 1 1 A 8 8 ASP CB C 3 40.341 40.848 -0.507 1
2 65 . 7 1 1 A 8 8 ASP C C 3 176.694 178.472 -1.778 1
2 66 . 7 1 1 A 9 9 LEU N N 4 123.427 121.415 2.012 1
2 67 . 7 1 1 A 9 9 LEU H H 4 8.202 7.681 0.521 1
2 68 . 7 1 1 A 9 9 LEU CA C 4 57.495 57.935 -0.440 1
2 69 . 7 1 1 A 9 9 LEU HA H 4 4.086 4.058 0.028 1
2 70 . 7 1 1 A 9 9 LEU CB C 4 41.905 41.700 0.205 1
2 82 . 7 1 1 A 9 9 LEU C C 4 178.839 178.674 0.165 1
2 83 . 7 1 1 A 10 10 VAL N N 5 119.385 119.244 0.141 1
2 84 . 7 1 1 A 10 10 VAL H H 5 8.186 8.452 -0.266 1
2 85 . 7 1 1 A 10 10 VAL CA C 5 66.585 66.774 -0.189 1
2 86 . 7 1 1 A 10 10 VAL HA H 5 3.420 3.550 -0.130 1
2 87 . 7 1 1 A 10 10 VAL CB C 5 31.177 31.559 -0.382 1
2 97 . 7 1 1 A 10 10 VAL C C 5 177.439 177.725 -0.286 1
2 98 . 7 1 1 A 11 11 SER N N 6 115.027 115.857 -0.830 1
2 99 . 7 1 1 A 11 11 SER H H 6 8.252 8.111 0.141 1
2 100 . 7 1 1 A 11 11 SER CA C 6 61.152 62.152 -1.000 1
2 101 . 7 1 1 A 11 11 SER HA H 6 4.055 4.160 -0.105 1
2 102 . 7 1 1 A 11 11 SER CB C 6 62.161 62.705 -0.544 1
2 105 . 7 1 1 A 11 11 SER C C 6 176.036 176.467 -0.431 1
2 106 . 7 1 1 A 12 12 SER N N 7 115.144 117.318 -2.174 1
2 107 . 7 1 1 A 12 12 SER H H 7 8.053 8.146 -0.093 1
2 108 . 7 1 1 A 12 12 SER CA C 7 60.168 61.762 -1.594 1
2 109 . 7 1 1 A 12 12 SER HA H 7 4.284 4.165 0.119 1
2 110 . 7 1 1 A 12 12 SER CB C 7 62.706 63.060 -0.354 1
2 113 . 7 1 1 A 12 12 SER C C 7 176.540 176.534 0.006 1
2 114 . 7 1 1 A 13 13 CYS N N 8 118.211 119.152 -0.941 1
2 115 . 7 1 1 A 13 13 CYS H H 8 7.919 8.740 -0.821 1
2 116 . 7 1 1 A 13 13 CYS CA C 8 63.651 63.955 -0.304 1
2 117 . 7 1 1 A 13 13 CYS HA H 8 4.026 4.200 -0.174 1
2 118 . 7 1 1 A 13 13 CYS CB C 8 26.641 27.067 -0.426 1
2 121 . 7 1 1 A 13 13 CYS C C 8 175.645 177.132 -1.487 1
2 122 . 7 1 1 A 14 14 LYS N N 9 120.074 121.447 -1.373 1
2 123 . 7 1 1 A 14 14 LYS H H 9 8.632 8.230 0.402 1
2 124 . 7 1 1 A 14 14 LYS CA C 9 60.441 59.518 0.923 1
2 125 . 7 1 1 A 14 14 LYS HA H 9 3.672 4.079 -0.407 1
2 126 . 7 1 1 A 14 14 LYS CB C 9 31.685 32.185 -0.500 1
2 138 . 7 1 1 A 14 14 LYS C C 9 177.615 178.082 -0.467 1
2 139 . 7 1 1 A 15 15 ASP N N 10 117.613 119.591 -1.978 1
2 140 . 7 1 1 A 15 15 ASP H H 10 7.732 8.194 -0.462 1
2 141 . 7 1 1 A 15 15 ASP CA C 10 56.175 57.457 -1.282 1
2 142 . 7 1 1 A 15 15 ASP HA H 10 4.307 4.313 -0.006 1
2 143 . 7 1 1 A 15 15 ASP CB C 10 40.056 41.698 -1.642 1
2 146 . 7 1 1 A 15 15 ASP C C 10 177.650 178.819 -1.169 1
2 147 . 7 1 1 A 16 16 LYS N N 11 117.878 118.499 -0.621 1
2 148 . 7 1 1 A 16 16 LYS H H 11 7.254 7.924 -0.670 1
2 149 . 7 1 1 A 16 16 LYS CA C 11 58.962 59.507 -0.545 1
2 150 . 7 1 1 A 16 16 LYS HA H 11 3.645 4.111 -0.466 1
2 151 . 7 1 1 A 16 16 LYS CB C 11 32.951 32.694 0.257 1
2 160 . 7 1 1 A 16 16 LYS C C 11 177.263 178.784 -1.521 1
2 161 . 7 1 1 A 17 17 LEU N N 12 115.652 122.105 -6.453 1
2 162 . 7 1 1 A 17 17 LEU H H 12 8.138 8.478 -0.340 1
2 163 . 7 1 1 A 17 17 LEU CA C 12 56.726 58.112 -1.386 1
2 164 . 7 1 1 A 17 17 LEU HA H 12 3.579 4.219 -0.640 1
2 165 . 7 1 1 A 17 17 LEU CB C 12 41.959 41.378 0.581 1
2 176 . 7 1 1 A 17 17 LEU C C 12 177.485 178.641 -1.156 1
2 177 . 7 1 1 A 18 18 ALA N N 13 116.044 120.990 -4.946 1
2 178 . 7 1 1 A 18 18 ALA H H 13 7.080 8.627 -1.547 1
2 179 . 7 1 1 A 18 18 ALA CA C 13 53.389 54.780 -1.391 1
2 180 . 7 1 1 A 18 18 ALA HA H 13 3.963 4.106 -0.143 1
2 184 . 7 1 1 A 18 18 ALA CB C 13 18.161 18.511 -0.350 1
2 185 . 7 1 1 A 18 18 ALA C C 13 178.207 179.795 -1.588 1
2 186 . 7 1 1 A 19 19 TYR N N 14 115.556 119.213 -3.657 1
2 187 . 7 1 1 A 19 19 TYR H H 14 7.675 7.691 -0.016 1
2 188 . 7 1 1 A 19 19 TYR CA C 14 58.647 59.715 -1.068 1
2 189 . 7 1 1 A 19 19 TYR HA H 14 4.304 4.136 0.168 1
2 190 . 7 1 1 A 19 19 TYR CB C 14 38.609 39.093 -0.484 1
2 199 . 7 1 1 A 19 19 TYR C C 14 175.911 175.688 0.223 1
2 200 . 7 1 1 A 20 20 PHE N N 15 118.275 119.427 -1.152 1
2 201 . 7 1 1 A 20 20 PHE H H 15 7.406 7.817 -0.411 1
2 202 . 7 1 1 A 20 20 PHE CA C 15 56.615 56.849 -0.234 1
2 203 . 7 1 1 A 20 20 PHE HA H 15 4.649 4.726 -0.077 1
2 204 . 7 1 1 A 20 20 PHE CB C 15 38.750 40.450 -1.700 1
2 215 . 7 1 1 A 20 20 PHE C C 15 176.160 175.571 0.589 1
2 216 . 7 1 1 A 21 21 ARG N N 16 119.140 122.362 -3.222 1
2 217 . 7 1 1 A 21 21 ARG H H 16 8.714 8.647 0.067 1
2 218 . 7 1 1 A 21 21 ARG CA C 16 54.349 56.382 -2.033 1
2 219 . 7 1 1 A 21 21 ARG HA H 16 4.751 4.305 0.446 1
2 220 . 7 1 1 A 21 21 ARG CB C 16 30.097 31.225 -1.128 1
2 236 . 7 1 1 A 21 21 ARG C C 16 177.095 177.787 -0.692 1
2 237 . 7 1 1 A 22 22 ILE N N 17 120.734 122.210 -1.476 1
2 238 . 7 1 1 A 22 22 ILE H H 17 8.708 8.753 -0.045 1
2 239 . 7 1 1 A 22 22 ILE CA C 17 65.145 64.724 0.421 1
2 240 . 7 1 1 A 22 22 ILE HA H 17 3.720 3.694 0.026 1
2 241 . 7 1 1 A 22 22 ILE CB C 17 36.857 37.591 -0.734 1
2 254 . 7 1 1 A 22 22 ILE C C 17 176.745 177.835 -1.090 1
2 255 . 7 1 1 A 23 23 LYS N N 18 118.184 121.933 -3.749 1
2 256 . 7 1 1 A 23 23 LYS H H 18 8.267 8.166 0.101 1
2 257 . 7 1 1 A 23 23 LYS CA C 18 59.829 59.657 0.172 1
2 258 . 7 1 1 A 23 23 LYS HA H 18 3.897 3.904 -0.007 1
2 259 . 7 1 1 A 23 23 LYS CB C 18 32.268 32.434 -0.166 1
2 271 . 7 1 1 A 23 23 LYS C C 18 178.159 178.830 -0.671 1
2 272 . 7 1 1 A 24 24 GLU N N 19 117.654 118.953 -1.299 1
2 273 . 7 1 1 A 24 24 GLU H H 19 7.198 8.113 -0.915 1
2 274 . 7 1 1 A 24 24 GLU CA C 19 60.612 59.166 1.446 1
2 275 . 7 1 1 A 24 24 GLU HA H 19 4.030 3.879 0.151 1
2 276 . 7 1 1 A 24 24 GLU CB C 19 28.859 29.476 -0.617 1
2 282 . 7 1 1 A 24 24 GLU C C 19 178.521 179.096 -0.575 1
2 283 . 7 1 1 A 25 25 LEU N N 20 119.236 120.083 -0.847 1
2 284 . 7 1 1 A 25 25 LEU H H 20 7.980 8.199 -0.219 1
2 285 . 7 1 1 A 25 25 LEU CA C 20 57.676 57.972 -0.296 1
2 286 . 7 1 1 A 25 25 LEU HA H 20 3.904 3.988 -0.084 1
2 287 . 7 1 1 A 25 25 LEU CB C 20 42.218 41.014 1.204 1
2 294 . 7 1 1 A 25 25 LEU C C 20 177.990 179.098 -1.108 1
2 295 . 7 1 1 A 26 26 LYS N N 21 117.457 121.153 -3.696 1
2 296 . 7 1 1 A 26 26 LYS H H 21 8.770 8.295 0.475 1
2 297 . 7 1 1 A 26 26 LYS CA C 21 60.660 59.840 0.820 1
2 298 . 7 1 1 A 26 26 LYS HA H 21 3.787 3.933 -0.146 1
2 299 . 7 1 1 A 26 26 LYS CB C 21 31.876 32.165 -0.289 1
2 300 . 7 1 1 A 26 26 LYS C C 21 177.625 178.667 -1.042 1
2 301 . 7 1 1 A 27 27 ASP N N 22 119.023 119.689 -0.666 1
2 302 . 7 1 1 A 27 27 ASP H H 22 7.671 8.097 -0.426 1
2 303 . 7 1 1 A 27 27 ASP CA C 22 56.974 57.141 -0.167 1
2 304 . 7 1 1 A 27 27 ASP HA H 22 4.392 4.470 -0.078 1
2 305 . 7 1 1 A 27 27 ASP CB C 22 40.250 40.497 -0.247 1
2 308 . 7 1 1 A 27 27 ASP C C 22 180.796 179.044 1.752 1
2 309 . 7 1 1 A 28 28 ILE N N 23 119.318 120.378 -1.060 1
2 310 . 7 1 1 A 28 28 ILE H H 23 8.039 7.724 0.315 1
2 311 . 7 1 1 A 28 28 ILE CA C 23 65.365 65.508 -0.143 1
2 312 . 7 1 1 A 28 28 ILE HA H 23 3.587 3.638 -0.051 1
2 313 . 7 1 1 A 28 28 ILE CB C 23 37.408 38.119 -0.711 1
2 326 . 7 1 1 A 28 28 ILE C C 23 177.265 178.324 -1.059 1
2 327 . 7 1 1 A 29 29 LEU N N 24 120.356 121.486 -1.130 1
2 328 . 7 1 1 A 29 29 LEU H H 24 8.220 8.508 -0.288 1
2 329 . 7 1 1 A 29 29 LEU CA C 24 58.562 58.214 0.348 1
2 330 . 7 1 1 A 29 29 LEU HA H 24 3.806 3.980 -0.174 1
2 331 . 7 1 1 A 29 29 LEU CB C 24 39.477 41.451 -1.974 1
2 339 . 7 1 1 A 29 29 LEU C C 24 178.572 178.287 0.285 1
2 340 . 7 1 1 A 30 30 ASN N N 25 117.446 117.309 0.137 1
2 341 . 7 1 1 A 30 30 ASN H H 25 8.688 8.311 0.377 1
2 342 . 7 1 1 A 30 30 ASN CA C 25 56.092 56.880 -0.788 1
2 343 . 7 1 1 A 30 30 ASN HA H 25 4.493 4.369 0.124 1
2 344 . 7 1 1 A 30 30 ASN CB C 25 38.809 39.040 -0.231 1
2 351 . 7 1 1 A 30 30 ASN C C 25 178.884 177.854 1.030 1
2 352 . 7 1 1 A 31 31 GLN N N 26 119.946 117.991 1.955 1
2 353 . 7 1 1 A 31 31 GLN H H 26 8.184 7.767 0.417 1
2 354 . 7 1 1 A 31 31 GLN CA C 26 58.786 58.302 0.484 1
2 355 . 7 1 1 A 31 31 GLN HA H 26 4.041 4.106 -0.065 1
2 356 . 7 1 1 A 31 31 GLN CB C 26 29.089 28.112 0.977 1
2 366 . 7 1 1 A 31 31 GLN C C 26 177.656 178.147 -0.491 1
2 367 . 7 1 1 A 32 32 LEU N N 27 116.979 118.038 -1.059 1
2 368 . 7 1 1 A 32 32 LEU H H 27 7.893 7.626 0.267 1
2 369 . 7 1 1 A 32 32 LEU CA C 27 54.545 55.367 -0.822 1
2 370 . 7 1 1 A 32 32 LEU HA H 27 4.227 4.142 0.085 1
2 371 . 7 1 1 A 32 32 LEU CB C 27 42.063 42.659 -0.596 1
2 382 . 7 1 1 A 32 32 LEU C C 27 175.733 176.972 -1.239 1
2 383 . 7 1 1 A 33 33 GLY N N 28 108.299 105.584 2.715 1
2 384 . 7 1 1 A 33 33 GLY H H 28 7.834 7.812 0.022 1
2 385 . 7 1 1 A 33 33 GLY CA C 28 45.707 45.023 0.684 1
2 386 . 7 1 1 A 33 33 GLY HA2 H 28 3.952 3.967 -0.015 1
2 387 . 7 1 1 A 33 33 GLY HA3 H 28 3.952 3.972 -0.020 1
2 388 . 7 1 1 A 33 33 GLY C C 28 174.317 174.767 -0.450 1
2 389 . 7 1 1 A 34 34 LEU N N 29 120.833 114.154 6.679 1
2 390 . 7 1 1 A 34 34 LEU H H 29 7.986 8.129 -0.143 1
2 391 . 7 1 1 A 34 34 LEU CA C 29 51.558 55.408 -3.850 1
2 392 . 7 1 1 A 34 34 LEU HA H 29 4.744 4.036 0.708 1
2 393 . 7 1 1 A 34 34 LEU CB C 29 43.525 40.756 2.769 1
2 405 . 7 1 1 A 35 35 PRO CA C 30 62.707 62.256 0.451 1
2 406 . 7 1 1 A 35 35 PRO HA H 30 4.351 4.594 -0.243 1
2 407 . 7 1 1 A 35 35 PRO CB C 30 31.919 33.279 -1.360 1
2 415 . 7 1 1 A 35 35 PRO C C 30 177.488 176.714 0.774 1
2 416 . 7 1 1 A 36 36 LYS N N 31 117.590 118.708 -1.118 1
2 417 . 7 1 1 A 36 36 LYS H H 31 8.380 8.558 -0.178 1
2 418 . 7 1 1 A 36 36 LYS CA C 31 55.660 57.453 -1.793 1
2 419 . 7 1 1 A 36 36 LYS HA H 31 4.286 4.077 0.209 1
2 420 . 7 1 1 A 36 36 LYS CB C 31 33.239 31.814 1.425 1
2 430 . 7 1 1 A 36 36 LYS C C 31 174.384 176.026 -1.642 1
2 431 . 7 1 1 A 37 37 GLN N N 32 118.260 115.360 2.900 1
2 432 . 7 1 1 A 37 37 GLN H H 32 7.698 7.989 -0.291 1
2 433 . 7 1 1 A 37 37 GLN CA C 32 55.550 58.062 -2.512 1
2 434 . 7 1 1 A 37 37 GLN HA H 32 4.376 4.228 0.148 1
2 435 . 7 1 1 A 37 37 GLN CB C 32 28.221 27.443 0.778 1
2 445 . 7 1 1 A 37 37 GLN C C 32 175.222 174.193 1.029 1
2 446 . 7 1 1 A 38 38 GLY N N 33 109.855 108.397 1.458 1
2 447 . 7 1 1 A 38 38 GLY H H 33 8.449 8.465 -0.016 1
2 448 . 7 1 1 A 38 38 GLY CA C 33 43.235 44.751 -1.516 1
2 449 . 7 1 1 A 38 38 GLY HA2 H 33 4.566 4.167 0.399 1
2 450 . 7 1 1 A 38 38 GLY HA3 H 33 3.789 4.168 -0.379 1
2 451 . 7 1 1 A 38 38 GLY C C 33 173.603 172.756 0.847 1
2 452 . 7 1 1 A 39 39 LYS N N 34 117.627 121.165 -3.538 1
2 453 . 7 1 1 A 39 39 LYS H H 34 8.649 8.477 0.172 1
2 454 . 7 1 1 A 39 39 LYS CA C 34 54.563 56.283 -1.720 1
2 455 . 7 1 1 A 39 39 LYS HA H 34 4.394 4.352 0.042 1
2 456 . 7 1 1 A 39 39 LYS CB C 34 32.892 33.377 -0.485 1
2 468 . 7 1 1 A 39 39 LYS C C 34 176.803 178.145 -1.342 1
2 469 . 7 1 1 A 40 40 LYS N N 35 121.705 124.204 -2.499 1
2 470 . 7 1 1 A 40 40 LYS H H 35 8.920 8.995 -0.075 1
2 471 . 7 1 1 A 40 40 LYS CA C 35 61.559 60.185 1.374 1
2 472 . 7 1 1 A 40 40 LYS HA H 35 3.597 3.911 -0.314 1
2 473 . 7 1 1 A 40 40 LYS CB C 35 31.953 32.193 -0.240 1
2 485 . 7 1 1 A 40 40 LYS C C 35 177.362 178.009 -0.647 1
2 486 . 7 1 1 A 41 41 GLN N N 36 114.637 118.290 -3.653 1
2 487 . 7 1 1 A 41 41 GLN H H 36 9.017 7.882 1.135 1
2 488 . 7 1 1 A 41 41 GLN CA C 36 57.638 58.916 -1.278 1
2 489 . 7 1 1 A 41 41 GLN HA H 36 3.719 4.036 -0.317 1
2 490 . 7 1 1 A 41 41 GLN CB C 36 27.865 28.161 -0.296 1
2 500 . 7 1 1 A 41 41 GLN C C 36 176.975 178.127 -1.152 1
2 501 . 7 1 1 A 42 42 ASP N N 37 115.984 120.447 -4.463 1
2 502 . 7 1 1 A 42 42 ASP H H 37 7.049 8.140 -1.091 1
2 503 . 7 1 1 A 42 42 ASP CA C 37 56.424 57.521 -1.097 1
2 504 . 7 1 1 A 42 42 ASP HA H 37 4.303 4.296 0.007 1
2 505 . 7 1 1 A 42 42 ASP CB C 37 39.955 40.476 -0.521 1
2 508 . 7 1 1 A 42 42 ASP C C 37 178.454 178.899 -0.445 1
2 509 . 7 1 1 A 43 43 LEU N N 38 119.074 120.147 -1.073 1
2 510 . 7 1 1 A 43 43 LEU H H 38 7.725 8.240 -0.515 1
2 511 . 7 1 1 A 43 43 LEU CA C 38 57.716 57.976 -0.260 1
2 512 . 7 1 1 A 43 43 LEU HA H 38 3.794 3.967 -0.173 1
2 513 . 7 1 1 A 43 43 LEU CB C 38 40.211 42.246 -2.035 1
2 526 . 7 1 1 A 43 43 LEU C C 38 177.872 179.003 -1.131 1
2 527 . 7 1 1 A 44 44 ILE N N 39 118.343 118.848 -0.505 1
2 528 . 7 1 1 A 44 44 ILE H H 39 7.867 8.131 -0.264 1
2 529 . 7 1 1 A 44 44 ILE CA C 39 66.211 65.786 0.425 1
2 530 . 7 1 1 A 44 44 ILE HA H 39 3.319 3.509 -0.190 1
2 531 . 7 1 1 A 44 44 ILE CB C 39 37.985 37.809 0.176 1
2 541 . 7 1 1 A 44 44 ILE C C 39 177.711 177.700 0.011 1
2 542 . 7 1 1 A 45 45 ASP N N 40 118.535 121.016 -2.481 1
2 543 . 7 1 1 A 45 45 ASP H H 40 8.503 8.340 0.163 1
2 544 . 7 1 1 A 45 45 ASP CA C 40 56.817 57.370 -0.553 1
2 545 . 7 1 1 A 45 45 ASP HA H 40 4.256 4.419 -0.163 1
2 546 . 7 1 1 A 45 45 ASP CB C 40 39.815 41.054 -1.239 1
2 549 . 7 1 1 A 45 45 ASP C C 40 178.464 178.711 -0.247 1
2 550 . 7 1 1 A 46 46 ARG N N 41 120.910 119.995 0.915 1
2 551 . 7 1 1 A 46 46 ARG H H 41 7.717 8.018 -0.301 1
2 552 . 7 1 1 A 46 46 ARG CA C 41 59.054 59.488 -0.434 1
2 553 . 7 1 1 A 46 46 ARG HA H 41 3.993 4.092 -0.099 1
2 554 . 7 1 1 A 46 46 ARG CB C 41 29.778 30.274 -0.496 1
2 563 . 7 1 1 A 46 46 ARG C C 41 177.565 178.515 -0.950 1
2 564 . 7 1 1 A 47 47 VAL N N 42 117.438 119.674 -2.236 1
2 565 . 7 1 1 A 47 47 VAL H H 42 7.445 7.938 -0.493 1
2 566 . 7 1 1 A 47 47 VAL CA C 42 66.095 66.409 -0.314 1
2 567 . 7 1 1 A 47 47 VAL HA H 42 3.446 3.668 -0.222 1
2 568 . 7 1 1 A 47 47 VAL CB C 42 31.113 31.682 -0.569 1
2 578 . 7 1 1 A 47 47 VAL C C 42 177.710 178.180 -0.470 1
2 579 . 7 1 1 A 48 48 LEU N N 43 117.085 117.809 -0.724 1
2 580 . 7 1 1 A 48 48 LEU H H 43 8.466 8.027 0.439 1
2 581 . 7 1 1 A 48 48 LEU CA C 43 57.406 57.818 -0.412 1
2 582 . 7 1 1 A 48 48 LEU HA H 43 3.851 3.957 -0.106 1
2 583 . 7 1 1 A 48 48 LEU CB C 43 40.779 41.231 -0.452 1
2 596 . 7 1 1 A 48 48 LEU C C 43 179.581 179.475 0.106 1
2 597 . 7 1 1 A 49 49 ALA N N 44 120.480 122.016 -1.536 1
2 598 . 7 1 1 A 49 49 ALA H H 44 7.952 8.056 -0.104 1
2 599 . 7 1 1 A 49 49 ALA CA C 44 53.998 54.586 -0.588 1
2 600 . 7 1 1 A 49 49 ALA HA H 44 4.104 4.142 -0.038 1
2 604 . 7 1 1 A 49 49 ALA CB C 44 17.685 18.299 -0.614 1
2 605 . 7 1 1 A 49 49 ALA C C 44 178.926 179.586 -0.660 1
2 606 . 7 1 1 A 50 50 LEU N N 45 115.306 120.579 -5.273 1
2 607 . 7 1 1 A 50 50 LEU H H 45 7.428 7.778 -0.350 1
2 608 . 7 1 1 A 50 50 LEU CA C 45 55.650 57.614 -1.964 1
2 609 . 7 1 1 A 50 50 LEU HA H 45 4.206 4.122 0.084 1
2 610 . 7 1 1 A 50 50 LEU CB C 45 41.937 41.896 0.041 1
2 623 . 7 1 1 A 50 50 LEU C C 45 177.840 178.778 -0.938 1
2 624 . 7 1 1 A 51 51 LEU N N 46 115.880 118.671 -2.791 1
2 625 . 7 1 1 A 51 51 LEU H H 46 7.642 8.052 -0.410 1
2 626 . 7 1 1 A 51 51 LEU CA C 46 54.861 56.460 -1.599 1
2 627 . 7 1 1 A 51 51 LEU HA H 46 4.260 4.212 0.048 1
2 628 . 7 1 1 A 51 51 LEU CB C 46 42.228 41.867 0.361 1
2 638 . 7 1 1 A 51 51 LEU C C 46 176.015 177.677 -1.662 1
2 639 . 7 1 1 A 52 52 THR N N 47 109.201 113.090 -3.889 1
2 640 . 7 1 1 A 52 52 THR H H 47 7.515 7.496 0.019 1
2 641 . 7 1 1 A 52 52 THR CA C 47 60.972 64.620 -3.648 1
2 642 . 7 1 1 A 52 52 THR HA H 47 4.345 4.300 0.045 1
2 643 . 7 1 1 A 52 52 THR CB C 47 69.620 69.412 0.208 1
2 649 . 7 1 1 A 52 52 THR C C 47 173.733 175.502 -1.769 1
2 650 . 7 1 1 A 53 53 ASP N N 48 122.188 119.060 3.128 1
2 651 . 7 1 1 A 53 53 ASP H H 48 8.280 8.280 0.000 1
2 652 . 7 1 1 A 53 53 ASP CA C 48 54.205 56.193 -1.988 1
2 653 . 7 1 1 A 53 53 ASP HA H 48 4.686 4.535 0.151 1
2 654 . 7 1 1 A 53 53 ASP CB C 48 40.766 40.390 0.376 1
2 658 . 7 1 1 A 53 53 ASP C C 48 176.000 176.742 -0.742 1
2 659 . 7 1 1 A 54 54 GLU N N 49 121.966 118.493 3.473 1
2 660 . 7 1 1 A 54 54 GLU H H 49 8.589 7.793 0.796 1
2 661 . 7 1 1 A 54 54 GLU CA C 49 56.448 55.570 0.878 1
2 662 . 7 1 1 A 54 54 GLU HA H 49 4.234 4.711 -0.477 1
2 663 . 7 1 1 A 54 54 GLU CB C 49 29.642 30.814 -1.172 1
2 669 . 7 1 1 A 54 54 GLU C C 49 176.522 176.797 -0.275 1
2 670 . 7 1 1 A 55 55 GLN N N 50 120.727 119.512 1.215 1
2 671 . 7 1 1 A 55 55 GLN H H 50 8.642 7.826 0.816 1
2 672 . 7 1 1 A 55 55 GLN CA C 50 56.251 56.795 -0.544 1
2 673 . 7 1 1 A 55 55 GLN HA H 50 4.217 4.130 0.087 1
2 674 . 7 1 1 A 55 55 GLN CB C 50 28.555 28.438 0.117 1
2 684 . 7 1 1 A 55 55 GLN C C 50 176.519 176.507 0.012 1
2 685 . 7 1 1 A 56 56 GLY N N 51 109.357 107.370 1.987 1
2 686 . 7 1 1 A 56 56 GLY H H 51 8.519 7.401 1.118 1
2 687 . 7 1 1 A 56 56 GLY CA C 51 45.276 45.444 -0.168 1
2 688 . 7 1 1 A 56 56 GLY HA2 H 51 3.950 4.174 -0.224 1
2 689 . 7 1 1 A 56 56 GLY HA3 H 51 3.809 4.224 -0.415 1
2 690 . 7 1 1 A 56 56 GLY C C 51 174.146 174.626 -0.480 1
2 691 . 7 1 1 A 57 57 GLN N N 52 119.207 118.566 0.641 1
2 692 . 7 1 1 A 57 57 GLN H H 52 8.263 8.191 0.072 1
2 693 . 7 1 1 A 57 57 GLN CA C 52 55.572 55.739 -0.167 1
2 694 . 7 1 1 A 57 57 GLN HA H 52 4.203 4.511 -0.308 1
2 695 . 7 1 1 A 57 57 GLN CB C 52 28.656 29.262 -0.606 1
2 705 . 7 1 1 A 57 57 GLN C C 52 175.872 176.308 -0.436 1
2 706 . 7 1 1 A 58 58 ARG N N 53 120.525 119.316 1.209 1
2 707 . 7 1 1 A 58 58 ARG H H 53 8.279 7.946 0.333 1
2 708 . 7 1 1 A 58 58 ARG CA C 53 55.883 55.045 0.838 1
2 709 . 7 1 1 A 58 58 ARG HA H 53 4.176 4.643 -0.467 1
2 710 . 7 1 1 A 58 58 ARG CB C 53 30.031 31.724 -1.693 1
2 721 . 7 1 1 A 58 58 ARG C C 53 175.820 175.935 -0.115 1
2 722 . 7 1 1 A 59 59 HIS N N 54 118.905 117.348 1.557 1
2 723 . 7 1 1 A 59 59 HIS H H 54 8.398 8.241 0.157 1
2 724 . 7 1 1 A 59 59 HIS CA C 54 54.908 56.768 -1.860 1
2 725 . 7 1 1 A 59 59 HIS HA H 54 4.548 4.210 0.338 1
2 726 . 7 1 1 A 59 59 HIS CB C 54 28.953 28.211 0.742 1
2 729 . 7 1 1 A 59 59 HIS C C 54 174.136 174.594 -0.458 1
2 730 . 7 1 1 A 60 60 HIS N N 55 119.527 121.223 -1.696 1
2 731 . 7 1 1 A 60 60 HIS H H 55 8.493 7.966 0.527 1
2 732 . 7 1 1 A 60 60 HIS CA C 55 55.274 55.692 -0.418 1
2 733 . 7 1 1 A 60 60 HIS HA H 55 4.552 3.753 0.799 1
2 734 . 7 1 1 A 60 60 HIS CB C 55 28.913 30.307 -1.394 1
2 737 . 7 1 1 A 60 60 HIS C C 55 174.595 175.103 -0.508 1
2 738 . 7 1 1 A 61 61 GLY N N 56 110.215 108.001 2.214 1
2 739 . 7 1 1 A 61 61 GLY H H 56 8.604 7.613 0.991 1
2 740 . 7 1 1 A 61 61 GLY CA C 56 44.977 45.058 -0.081 1
2 741 . 7 1 1 A 61 61 GLY HA2 H 56 3.956 3.526 0.430 1
2 742 . 7 1 1 A 61 61 GLY HA3 H 56 3.831 3.662 0.169 1
2 743 . 7 1 1 A 61 61 GLY C C 56 173.752 174.427 -0.675 1
2 744 . 7 1 1 A 62 62 TRP N N 57 120.700 118.462 2.238 1
2 745 . 7 1 1 A 62 62 TRP H H 57 8.175 7.430 0.745 1
2 746 . 7 1 1 A 62 62 TRP CA C 57 56.929 58.219 -1.290 1
2 747 . 7 1 1 A 62 62 TRP HA H 57 4.663 4.754 -0.091 1
2 748 . 7 1 1 A 62 62 TRP CB C 57 29.142 30.957 -1.815 1
2 763 . 7 1 1 A 62 62 TRP C C 57 176.442 177.546 -1.104 1
2 764 . 7 1 1 A 63 63 GLY N N 58 110.195 108.572 1.623 1
2 765 . 7 1 1 A 63 63 GLY H H 58 8.452 8.640 -0.188 1
2 766 . 7 1 1 A 63 63 GLY CA C 58 45.052 45.653 -0.601 1
2 767 . 7 1 1 A 63 63 GLY HA2 H 58 3.925 4.074 -0.149 1
2 768 . 7 1 1 A 63 63 GLY HA3 H 58 3.833 4.128 -0.295 1
2 769 . 7 1 1 A 63 63 GLY C C 58 173.738 175.524 -1.786 1
2 770 . 7 1 1 A 64 64 ARG N N 59 120.374 120.376 -0.002 1
2 771 . 7 1 1 A 64 64 ARG H H 59 8.136 8.163 -0.027 1
2 772 . 7 1 1 A 64 64 ARG CA C 59 55.799 56.747 -0.948 1
2 773 . 7 1 1 A 64 64 ARG HA H 59 4.287 4.389 -0.102 1
2 774 . 7 1 1 A 64 64 ARG CB C 59 30.371 30.586 -0.215 1
2 785 . 7 1 1 A 64 64 ARG C C 59 176.287 177.020 -0.733 1
2 786 . 7 1 1 A 65 65 LYS N N 60 121.593 116.241 5.352 1
2 787 . 7 1 1 A 65 65 LYS H H 60 8.483 7.968 0.515 1
2 788 . 7 1 1 A 65 65 LYS CA C 60 56.353 55.365 0.988 1
2 789 . 7 1 1 A 65 65 LYS HA H 60 4.218 4.570 -0.352 1
2 790 . 7 1 1 A 65 65 LYS CB C 60 32.260 32.841 -0.581 1
2 796 . 7 1 1 A 65 65 LYS C C 60 176.102 176.804 -0.702 1
2 797 . 7 1 1 A 66 66 ASN N N 61 118.654 119.753 -1.099 1
2 798 . 7 1 1 A 66 66 ASN H H 61 8.413 8.410 0.003 1
2 799 . 7 1 1 A 66 66 ASN CA C 61 53.055 53.784 -0.729 1
2 800 . 7 1 1 A 66 66 ASN HA H 61 4.639 4.708 -0.069 1
2 801 . 7 1 1 A 66 66 ASN CB C 61 38.385 37.684 0.701 1
2 808 . 7 1 1 A 66 66 ASN C C 61 174.531 175.919 -1.388 1
2 809 . 7 1 1 A 67 67 SER N N 62 115.491 115.026 0.465 1
2 810 . 7 1 1 A 67 67 SER H H 62 8.288 8.169 0.119 1
2 811 . 7 1 1 A 67 67 SER CA C 62 57.980 58.089 -0.109 1
2 812 . 7 1 1 A 67 67 SER HA H 62 4.283 4.581 -0.298 1
2 813 . 7 1 1 A 67 67 SER CB C 62 63.205 61.034 2.171 1
2 816 . 7 1 1 A 67 67 SER C C 62 173.864 174.378 -0.514 1
2 817 . 7 1 1 A 68 68 LEU N N 63 123.549 118.912 4.637 1
2 818 . 7 1 1 A 68 68 LEU H H 63 8.063 8.167 -0.104 1
2 819 . 7 1 1 A 68 68 LEU CA C 63 54.098 53.990 0.108 1
2 820 . 7 1 1 A 68 68 LEU HA H 63 4.481 4.514 -0.033 1
2 821 . 7 1 1 A 68 68 LEU CB C 63 42.494 42.468 0.026 1
2 834 . 7 1 1 A 68 68 LEU C C 63 176.532 175.630 0.902 1
2 835 . 7 1 1 A 69 69 THR N N 64 112.637 113.990 -1.353 1
2 836 . 7 1 1 A 69 69 THR H H 64 7.797 7.019 0.778 1
2 837 . 7 1 1 A 69 69 THR CA C 64 59.915 60.752 -0.837 1
2 838 . 7 1 1 A 69 69 THR HA H 64 4.490 4.838 -0.348 1
2 839 . 7 1 1 A 69 69 THR CB C 64 70.852 72.588 -1.736 1
2 845 . 7 1 1 A 69 69 THR C C 64 174.998 175.292 -0.294 1
2 846 . 7 1 1 A 70 70 LYS N N 65 120.128 123.251 -3.123 1
2 847 . 7 1 1 A 70 70 LYS H H 65 9.059 8.925 0.134 1
2 848 . 7 1 1 A 70 70 LYS CA C 65 59.535 59.133 0.402 1
2 849 . 7 1 1 A 70 70 LYS HA H 65 3.909 4.031 -0.122 1
2 850 . 7 1 1 A 70 70 LYS CB C 65 31.890 31.927 -0.037 1
2 858 . 7 1 1 A 70 70 LYS C C 65 177.536 178.606 -1.070 1
2 859 . 7 1 1 A 71 71 GLU N N 66 117.667 119.813 -2.146 1
2 860 . 7 1 1 A 71 71 GLU H H 66 8.699 8.652 0.047 1
2 861 . 7 1 1 A 71 71 GLU CA C 66 60.199 59.301 0.898 1
2 862 . 7 1 1 A 71 71 GLU HA H 66 3.806 4.101 -0.295 1
2 863 . 7 1 1 A 71 71 GLU CB C 66 27.986 29.792 -1.806 1
2 870 . 7 1 1 A 71 71 GLU C C 66 178.416 179.071 -0.655 1
2 871 . 7 1 1 A 72 72 ALA N N 67 123.924 122.558 1.366 1
2 872 . 7 1 1 A 72 72 ALA H H 67 7.992 7.668 0.324 1
2 873 . 7 1 1 A 72 72 ALA CA C 67 54.477 55.030 -0.553 1
2 874 . 7 1 1 A 72 72 ALA HA H 67 4.110 4.100 0.010 1
2 878 . 7 1 1 A 72 72 ALA CB C 67 18.301 18.486 -0.185 1
2 879 . 7 1 1 A 72 72 ALA C C 67 178.721 179.664 -0.943 1
2 880 . 7 1 1 A 73 73 VAL N N 68 119.434 117.905 1.529 1
2 881 . 7 1 1 A 73 73 VAL H H 68 8.044 8.101 -0.057 1
2 882 . 7 1 1 A 73 73 VAL CA C 68 66.089 66.682 -0.593 1
2 883 . 7 1 1 A 73 73 VAL HA H 68 3.473 3.562 -0.089 1
2 884 . 7 1 1 A 73 73 VAL CB C 68 31.150 31.593 -0.443 1
2 894 . 7 1 1 A 73 73 VAL C C 68 177.001 178.485 -1.484 1
2 895 . 7 1 1 A 74 74 ALA N N 69 120.671 121.763 -1.092 1
2 896 . 7 1 1 A 74 74 ALA H H 69 8.407 8.100 0.307 1
2 897 . 7 1 1 A 74 74 ALA CA C 69 54.727 55.203 -0.476 1
2 898 . 7 1 1 A 74 74 ALA HA H 69 3.968 4.070 -0.102 1
2 902 . 7 1 1 A 74 74 ALA CB C 69 18.066 18.058 0.008 1
2 903 . 7 1 1 A 74 74 ALA C C 69 178.820 179.440 -0.620 1
2 904 . 7 1 1 A 75 75 LYS N N 70 118.624 117.869 0.755 1
2 905 . 7 1 1 A 75 75 LYS H H 70 7.930 7.921 0.009 1
2 906 . 7 1 1 A 75 75 LYS CA C 70 58.807 60.038 -1.231 1
2 907 . 7 1 1 A 75 75 LYS HA H 70 4.086 3.981 0.105 1
2 908 . 7 1 1 A 75 75 LYS CB C 70 31.776 32.167 -0.391 1
2 918 . 7 1 1 A 75 75 LYS C C 70 177.424 178.688 -1.264 1
2 919 . 7 1 1 A 76 76 ILE N N 71 120.234 119.499 0.735 1
2 920 . 7 1 1 A 76 76 ILE H H 71 7.478 7.876 -0.398 1
2 921 . 7 1 1 A 76 76 ILE CA C 71 64.885 64.963 -0.078 1
2 922 . 7 1 1 A 76 76 ILE HA H 71 3.960 3.625 0.335 1
2 923 . 7 1 1 A 76 76 ILE CB C 71 37.810 37.894 -0.084 1
2 936 . 7 1 1 A 76 76 ILE C C 71 179.734 177.575 2.159 1
2 937 . 7 1 1 A 77 77 VAL N N 72 122.502 119.532 2.970 1
2 938 . 7 1 1 A 77 77 VAL H H 72 8.325 7.878 0.447 1
2 939 . 7 1 1 A 77 77 VAL CA C 72 67.450 66.615 0.835 1
2 940 . 7 1 1 A 77 77 VAL HA H 72 3.576 3.577 -0.001 1
2 941 . 7 1 1 A 77 77 VAL CB C 72 30.928 31.485 -0.557 1
2 951 . 7 1 1 A 77 77 VAL C C 72 176.906 177.047 -0.141 1
2 952 . 7 1 1 A 78 78 ASP N N 73 120.524 120.253 0.271 1
2 953 . 7 1 1 A 78 78 ASP H H 73 8.798 8.027 0.771 1
2 954 . 7 1 1 A 78 78 ASP CA C 73 58.206 57.533 0.673 1
2 955 . 7 1 1 A 78 78 ASP HA H 73 4.379 4.512 -0.133 1
2 956 . 7 1 1 A 78 78 ASP CB C 73 41.420 40.348 1.072 1
2 960 . 7 1 1 A 78 78 ASP C C 73 178.068 178.901 -0.833 1
2 961 . 7 1 1 A 79 79 ASP N N 74 119.761 119.649 0.112 1
2 962 . 7 1 1 A 79 79 ASP H H 74 9.318 8.073 1.245 1
2 963 . 7 1 1 A 79 79 ASP CA C 74 57.025 57.326 -0.301 1
2 964 . 7 1 1 A 79 79 ASP HA H 74 4.404 4.344 0.060 1
2 965 . 7 1 1 A 79 79 ASP CB C 74 40.007 40.902 -0.895 1
2 969 . 7 1 1 A 79 79 ASP C C 74 178.813 178.880 -0.067 1
2 970 . 7 1 1 A 80 80 THR N N 75 117.342 116.609 0.733 1
2 971 . 7 1 1 A 80 80 THR H H 75 8.084 8.213 -0.129 1
2 972 . 7 1 1 A 80 80 THR CA C 75 66.977 66.300 0.677 1
2 973 . 7 1 1 A 80 80 THR HA H 75 3.826 3.772 0.054 1
2 974 . 7 1 1 A 80 80 THR CB C 75 67.725 68.055 -0.330 1
2 980 . 7 1 1 A 80 80 THR C C 75 175.367 176.018 -0.651 1
2 981 . 7 1 1 A 81 81 TYR N N 76 123.732 121.221 2.511 1
2 982 . 7 1 1 A 81 81 TYR H H 76 8.830 8.400 0.430 1
2 983 . 7 1 1 A 81 81 TYR CA C 76 61.713 61.916 -0.203 1
2 984 . 7 1 1 A 81 81 TYR HA H 76 4.265 4.431 -0.166 1
2 985 . 7 1 1 A 81 81 TYR CB C 76 38.849 38.918 -0.069 1
2 994 . 7 1 1 A 81 81 TYR C C 76 176.700 177.903 -1.203 1
2 995 . 7 1 1 A 82 82 ARG N N 77 118.508 117.652 0.856 1
2 996 . 7 1 1 A 82 82 ARG H H 77 8.754 8.494 0.260 1
2 997 . 7 1 1 A 82 82 ARG CA C 77 58.792 59.611 -0.819 1
2 998 . 7 1 1 A 82 82 ARG HA H 77 3.890 4.015 -0.125 1
2 999 . 7 1 1 A 82 82 ARG CB C 77 29.498 30.166 -0.668 1
2 1015 . 7 1 1 A 82 82 ARG C C 77 178.748 178.533 0.215 1
2 1016 . 7 1 1 A 83 83 LYS N N 78 118.079 120.155 -2.076 1
2 1017 . 7 1 1 A 83 83 LYS H H 78 7.696 7.926 -0.230 1
2 1018 . 7 1 1 A 83 83 LYS CA C 78 58.671 59.174 -0.503 1
2 1019 . 7 1 1 A 83 83 LYS HA H 78 4.024 4.180 -0.156 1
2 1020 . 7 1 1 A 83 83 LYS CB C 78 32.057 31.726 0.331 1
2 1026 . 7 1 1 A 83 83 LYS C C 78 177.743 178.667 -0.924 1
2 1027 . 7 1 1 A 84 84 MET N N 79 118.241 119.612 -1.371 1
2 1028 . 7 1 1 A 84 84 MET H H 79 7.748 8.085 -0.337 1
2 1029 . 7 1 1 A 84 84 MET CA C 79 57.209 58.791 -1.582 1
2 1030 . 7 1 1 A 84 84 MET HA H 79 4.170 4.187 -0.017 1
2 1031 . 7 1 1 A 84 84 MET CB C 79 32.320 32.618 -0.298 1
2 1041 . 7 1 1 A 84 84 MET C C 79 177.036 176.798 0.238 1
2 1042 . 7 1 1 A 85 85 GLN N N 80 117.242 113.726 3.516 1
2 1043 . 7 1 1 A 85 85 GLN H H 80 7.843 7.576 0.267 1
2 1044 . 7 1 1 A 85 85 GLN CA C 80 56.523 55.413 1.110 1
2 1045 . 7 1 1 A 85 85 GLN HA H 80 3.993 4.626 -0.633 1
2 1046 . 7 1 1 A 85 85 GLN CB C 80 28.240 29.366 -1.126 1
2 1056 . 7 1 1 A 85 85 GLN C C 80 176.690 176.540 0.150 1
2 1057 . 7 1 1 A 86 86 ILE N N 81 119.178 120.775 -1.597 1
2 1058 . 7 1 1 A 86 86 ILE H H 81 7.715 7.494 0.221 1
2 1059 . 7 1 1 A 86 86 ILE CA C 81 62.073 62.987 -0.914 1
2 1060 . 7 1 1 A 86 86 ILE HA H 81 3.934 4.160 -0.226 1
2 1061 . 7 1 1 A 86 86 ILE CB C 81 37.966 38.222 -0.256 1
2 1074 . 7 1 1 A 86 86 ILE C C 81 176.673 176.825 -0.152 1
2 1075 . 7 1 1 A 87 87 GLN N N 82 121.386 120.831 0.555 1
2 1076 . 7 1 1 A 87 87 GLN H H 82 8.164 8.239 -0.075 1
2 1077 . 7 1 1 A 87 87 GLN CA C 82 55.968 57.850 -1.882 1
2 1078 . 7 1 1 A 87 87 GLN HA H 82 4.214 4.326 -0.112 1
2 1079 . 7 1 1 A 87 87 GLN CB C 82 28.735 28.491 0.244 1
2 1088 . 7 1 1 A 87 87 GLN C C 82 175.836 175.319 0.517 1
2 1089 . 7 1 1 A 88 88 CYS N N 83 118.663 117.758 0.905 1
2 1090 . 7 1 1 A 88 88 CYS H H 83 8.238 8.310 -0.072 1
2 1091 . 7 1 1 A 88 88 CYS CA C 83 57.997 58.375 -0.378 1
2 1092 . 7 1 1 A 88 88 CYS HA H 83 4.467 4.611 -0.144 1
2 1093 . 7 1 1 A 88 88 CYS CB C 83 27.582 27.602 -0.020 1
2 1096 . 7 1 1 A 88 88 CYS C C 83 173.432 174.143 -0.711 1
2 1097 . 7 1 1 A 89 89 ALA N N 84 127.014 120.606 6.408 1
2 1098 . 7 1 1 A 89 89 ALA H H 84 8.249 7.921 0.328 1
2 1099 . 7 1 1 A 89 89 ALA CA C 84 50.607 52.893 -2.286 1
2 1100 . 7 1 1 A 89 89 ALA HA H 84 4.544 4.157 0.387 1
2 1104 . 7 1 1 A 89 89 ALA CB C 84 17.658 18.055 -0.397 1
2 1105 . 7 1 1 A 89 89 ALA C C 84 175.125 177.733 -2.608 1
2 1107 . 7 1 1 A 90 90 PRO CA C 85 62.995 63.196 -0.201 1
2 1108 . 7 1 1 A 90 90 PRO HA H 85 4.373 4.223 0.150 1
2 1109 . 7 1 1 A 90 90 PRO CB C 85 31.692 31.733 -0.041 1
2 1117 . 7 1 1 A 90 90 PRO C C 85 176.407 176.158 0.249 1
2 1118 . 7 1 1 A 91 91 ASP N N 86 119.209 116.613 2.596 1
2 1119 . 7 1 1 A 91 91 ASP H H 86 8.429 8.088 0.341 1
2 1120 . 7 1 1 A 91 91 ASP CA C 86 53.752 54.714 -0.962 1
2 1121 . 7 1 1 A 91 91 ASP HA H 86 4.394 4.245 0.149 1
2 1122 . 7 1 1 A 91 91 ASP CB C 86 40.319 38.828 1.491 1
2 1125 . 7 1 1 A 91 91 ASP C C 86 176.101 176.123 -0.022 1
2 1126 . 7 1 1 A 92 92 LEU N N 87 122.571 120.905 1.666 1
2 1127 . 7 1 1 A 92 92 LEU H H 87 8.208 7.863 0.345 1
2 1128 . 7 1 1 A 92 92 LEU CA C 87 55.286 58.694 -3.408 1
2 1129 . 7 1 1 A 92 92 LEU HA H 87 4.204 3.898 0.306 1
2 1130 . 7 1 1 A 92 92 LEU CB C 87 41.786 42.010 -0.224 1
2 1143 . 7 1 1 A 92 92 LEU C C 87 177.406 177.306 0.100 1
2 1144 . 7 1 1 A 93 93 ALA N N 88 123.131 119.128 4.003 1
2 1145 . 7 1 1 A 93 93 ALA H H 88 8.305 7.601 0.704 1
2 1146 . 7 1 1 A 93 93 ALA CA C 88 52.876 51.487 1.389 1
2 1147 . 7 1 1 A 93 93 ALA HA H 88 4.263 4.450 -0.187 1
2 1151 . 7 1 1 A 93 93 ALA CB C 88 18.672 19.702 -1.030 1
2 1152 . 7 1 1 A 93 93 ALA C C 88 178.033 176.845 1.188 1
2 1153 . 7 1 1 A 94 94 THR N N 89 112.097 108.374 3.723 1
2 1154 . 7 1 1 A 94 94 THR H H 89 7.994 8.134 -0.140 1
2 1155 . 7 1 1 A 94 94 THR CA C 89 61.640 61.777 -0.137 1
2 1156 . 7 1 1 A 94 94 THR HA H 89 4.251 4.080 0.171 1
2 1157 . 7 1 1 A 94 94 THR CB C 89 69.063 68.205 0.858 1
2 1163 . 7 1 1 A 94 94 THR C C 89 174.493 173.840 0.653 1
2 1164 . 7 1 1 A 95 95 ARG N N 90 122.704 128.329 -5.625 1
2 1165 . 7 1 1 A 95 95 ARG H H 90 8.211 8.667 -0.456 1
2 1166 . 7 1 1 A 95 95 ARG CA C 90 55.718 55.406 0.312 1
2 1167 . 7 1 1 A 95 95 ARG HA H 90 4.324 4.458 -0.134 1
2 1168 . 7 1 1 A 95 95 ARG CB C 90 30.309 28.470 1.839 1
2 1179 . 7 1 1 A 95 95 ARG C C 90 175.927 176.224 -0.297 1
2 1180 . 7 1 1 A 96 96 SER N N 91 116.390 114.500 1.890 1
2 1181 . 7 1 1 A 96 96 SER H H 91 8.365 8.291 0.074 1
2 1182 . 7 1 1 A 96 96 SER CA C 91 57.823 57.448 0.375 1
2 1183 . 7 1 1 A 96 96 SER HA H 91 4.356 4.754 -0.398 1
2 1184 . 7 1 1 A 96 96 SER CB C 91 63.214 63.435 -0.221 1
2 1187 . 7 1 1 A 96 96 SER C C 91 174.011 173.785 0.226 1
2 1188 . 7 1 1 A 97 97 HIS N N 92 120.507 122.057 -1.550 1
2 1189 . 7 1 1 A 97 97 HIS H H 92 8.541 8.005 0.536 1
2 1190 . 7 1 1 A 97 97 HIS CA C 92 54.960 54.582 0.378 1
2 1191 . 7 1 1 A 97 97 HIS HA H 92 4.704 4.646 0.058 1
2 1192 . 7 1 1 A 97 97 HIS CB C 92 28.518 28.794 -0.276 1
2 1197 . 7 1 1 A 97 97 HIS C C 92 174.186 174.625 -0.439 1
2 1198 . 7 1 1 A 98 98 SER N N 93 116.801 119.857 -3.056 1
2 1199 . 7 1 1 A 98 98 SER H H 93 8.455 8.382 0.073 1
2 1200 . 7 1 1 A 98 98 SER CA C 93 57.880 59.116 -1.236 1
2 1201 . 7 1 1 A 98 98 SER HA H 93 4.445 3.954 0.491 1
2 1202 . 7 1 1 A 98 98 SER CB C 93 63.434 62.025 1.409 1
2 1205 . 7 1 1 A 98 98 SER C C 93 174.508 173.523 0.985 1
2 1206 . 7 1 1 A 99 99 GLY N N 94 111.114 113.244 -2.130 1
2 1207 . 7 1 1 A 99 99 GLY H H 94 8.597 8.317 0.280 1
2 1208 . 7 1 1 A 99 99 GLY CA C 94 44.888 45.841 -0.953 1
2 1209 . 7 1 1 A 99 99 GLY HA2 H 94 3.998 4.105 -0.107 1
2 1210 . 7 1 1 A 99 99 GLY HA3 H 94 3.998 4.112 -0.114 1
2 1211 . 7 1 1 A 99 99 GLY C C 94 173.856 174.085 -0.229 1
2 1212 . 7 1 1 A 100 100 SER N N 95 115.398 115.566 -0.168 1
2 1213 . 7 1 1 A 100 100 SER H H 95 8.311 8.356 -0.045 1
2 1214 . 7 1 1 A 100 100 SER CA C 95 57.888 57.427 0.461 1
2 1215 . 7 1 1 A 100 100 SER HA H 95 4.408 4.622 -0.214 1
2 1216 . 7 1 1 A 100 100 SER CB C 95 63.328 64.704 -1.376 1
2 1219 . 7 1 1 A 100 100 SER C C 95 173.725 174.170 -0.445 1
2 1220 . 7 1 1 A 101 101 ASP N N 96 121.810 121.292 0.518 1
2 1221 . 7 1 1 A 101 101 ASP H H 96 8.380 7.833 0.547 1
2 1222 . 7 1 1 A 101 101 ASP CA C 96 53.813 53.953 -0.140 1
2 1223 . 7 1 1 A 101 101 ASP HA H 96 4.536 4.182 0.354 1
2 1224 . 7 1 1 A 101 101 ASP CB C 96 40.438 42.262 -1.824 1
2 1227 . 7 1 1 A 101 101 ASP C C 96 175.524 176.333 -0.809 1
2 1228 . 7 1 1 A 102 102 PHE N N 97 120.706 117.119 3.587 1
2 1229 . 7 1 1 A 102 102 PHE H H 97 8.249 7.811 0.438 1
2 1230 . 7 1 1 A 102 102 PHE CA C 97 57.323 57.588 -0.265 1
2 1231 . 7 1 1 A 102 102 PHE HA H 97 4.527 4.528 -0.001 1
2 1232 . 7 1 1 A 102 102 PHE CB C 97 38.989 39.209 -0.220 1
2 1238 . 7 1 1 A 102 102 PHE C C 97 175.246 175.680 -0.434 1
2 1239 . 7 1 1 A 103 103 SER N N 98 116.992 114.398 2.594 1
2 1240 . 7 1 1 A 103 103 SER H H 98 8.167 7.566 0.601 1
2 1241 . 7 1 1 A 103 103 SER CA C 98 57.883 57.476 0.407 1
2 1242 . 7 1 1 A 103 103 SER HA H 98 4.317 4.635 -0.318 1
2 1243 . 7 1 1 A 103 103 SER CB C 98 63.301 62.806 0.495 1
2 1246 . 7 1 1 A 103 103 SER C C 98 173.244 173.156 0.088 1
2 1247 . 7 1 1 A 104 104 PHE N N 99 122.000 124.962 -2.962 1
2 1248 . 7 1 1 A 104 104 PHE H H 99 8.170 8.829 -0.659 1
2 1249 . 7 1 1 A 104 104 PHE CA C 99 57.236 56.432 0.804 1
2 1250 . 7 1 1 A 104 104 PHE HA H 99 4.529 4.672 -0.143 1
2 1251 . 7 1 1 A 104 104 PHE CB C 99 38.997 36.976 2.021 1
2 1257 . 7 1 1 A 104 104 PHE C C 99 174.632 174.820 -0.188 1
2 1258 . 7 1 1 A 105 105 ARG N N 100 124.796 123.802 0.994 1
2 1259 . 7 1 1 A 105 105 ARG H H 100 8.101 8.233 -0.132 1
2 1260 . 7 1 1 A 105 105 ARG CA C 100 52.969 54.927 -1.958 1
2 1261 . 7 1 1 A 105 105 ARG HA H 100 4.516 4.392 0.124 1
2 1262 . 7 1 1 A 105 105 ARG CB C 100 30.069 29.621 0.448 1
2 1271 . 7 1 1 A 105 105 ARG C C 100 172.924 174.484 -1.560 1
2 1273 . 7 1 1 A 106 106 PRO CA C 101 62.673 62.461 0.212 1
2 1274 . 7 1 1 A 106 106 PRO HA H 101 4.351 4.691 -0.340 1
2 1275 . 7 1 1 A 106 106 PRO CB C 101 31.726 33.407 -1.681 1
2 1283 . 7 1 1 A 106 106 PRO C C 101 176.395 176.478 -0.083 1
2 1284 . 7 1 1 A 107 107 ILE N N 102 121.380 121.187 0.193 1
2 1285 . 7 1 1 A 107 107 ILE H H 102 8.350 8.488 -0.138 1
2 1286 . 7 1 1 A 107 107 ILE CA C 102 60.940 60.500 0.440 1
2 1287 . 7 1 1 A 107 107 ILE HA H 102 4.039 4.646 -0.607 1
2 1288 . 7 1 1 A 107 107 ILE CB C 102 38.204 38.977 -0.773 1
2 1301 . 7 1 1 A 107 107 ILE C C 102 175.990 176.470 -0.480 1
2 1302 . 7 1 1 A 108 108 GLU N N 103 124.836 123.047 1.789 1
2 1303 . 7 1 1 A 108 108 GLU H H 103 8.578 8.055 0.523 1
2 1304 . 7 1 1 A 108 108 GLU CA C 103 55.883 59.563 -3.680 1
2 1305 . 7 1 1 A 108 108 GLU HA H 103 4.280 3.955 0.325 1
2 1306 . 7 1 1 A 108 108 GLU CB C 103 29.902 29.270 0.632 1
2 1312 . 7 1 1 A 108 108 GLU C C 103 175.670 176.801 -1.131 1
2 1313 . 7 1 1 A 109 109 GLU N N 104 122.847 118.655 4.192 1
2 1314 . 7 1 1 A 109 109 GLU H H 104 8.459 8.190 0.269 1
2 1315 . 7 1 1 A 109 109 GLU CA C 104 55.902 57.460 -1.558 1
2 1316 . 7 1 1 A 109 109 GLU HA H 104 4.267 4.003 0.264 1
2 1317 . 7 1 1 A 109 109 GLU CB C 104 29.985 28.395 1.590 1
2 1322 . 7 1 1 A 109 109 GLU C C 104 174.661 175.419 -0.758 1
2 3 . 8 1 1 A 2 2 SER N N -4 115.528 115.467 0.061 1
2 4 . 8 1 1 A 2 2 SER H H -4 8.751 7.754 0.997 1
2 5 . 8 1 1 A 2 2 SER CA C -4 57.687 57.055 0.632 1
2 6 . 8 1 1 A 2 2 SER HA H -4 4.451 4.533 -0.082 1
2 7 . 8 1 1 A 2 2 SER CB C -4 63.389 63.639 -0.250 1
2 8 . 8 1 1 A 2 2 SER C C -4 173.913 174.052 -0.139 1
2 9 . 8 1 1 A 3 3 HIS N N -3 120.998 116.850 4.148 1
2 10 . 8 1 1 A 3 3 HIS H H -3 8.769 8.347 0.422 1
2 11 . 8 1 1 A 3 3 HIS CA C -3 55.010 57.110 -2.100 1
2 12 . 8 1 1 A 3 3 HIS HA H -3 4.707 4.095 0.612 1
2 13 . 8 1 1 A 3 3 HIS CB C -3 28.916 27.591 1.325 1
2 16 . 8 1 1 A 3 3 HIS C C -3 174.207 175.063 -0.856 1
2 17 . 8 1 1 A 4 4 MET N N -2 122.227 114.175 8.052 1
2 18 . 8 1 1 A 4 4 MET H H -2 8.518 8.380 0.138 1
2 19 . 8 1 1 A 4 4 MET CA C -2 55.014 56.437 -1.423 1
2 20 . 8 1 1 A 4 4 MET HA H -2 4.418 4.015 0.403 1
2 21 . 8 1 1 A 4 4 MET CB C -2 32.678 31.337 1.341 1
2 31 . 8 1 1 A 4 4 MET C C -2 175.481 174.998 0.483 1
2 49 . 8 1 1 A 7 7 ALA N N 2 124.549 122.513 2.036 1
2 50 . 8 1 1 A 7 7 ALA H H 2 8.453 7.899 0.554 1
2 51 . 8 1 1 A 7 7 ALA CA C 2 53.221 54.847 -1.626 1
2 52 . 8 1 1 A 7 7 ALA HA H 2 4.194 4.145 0.049 1
2 56 . 8 1 1 A 7 7 ALA CB C 2 18.431 18.297 0.134 1
2 57 . 8 1 1 A 7 7 ALA C C 2 178.162 179.130 -0.968 1
2 58 . 8 1 1 A 8 8 ASP N N 3 118.618 118.437 0.181 1
2 59 . 8 1 1 A 8 8 ASP H H 3 8.064 8.269 -0.205 1
2 60 . 8 1 1 A 8 8 ASP CA C 3 54.124 56.975 -2.851 1
2 61 . 8 1 1 A 8 8 ASP HA H 3 4.539 4.346 0.193 1
2 62 . 8 1 1 A 8 8 ASP CB C 3 40.341 40.922 -0.581 1
2 65 . 8 1 1 A 8 8 ASP C C 3 176.694 178.554 -1.860 1
2 66 . 8 1 1 A 9 9 LEU N N 4 123.427 120.785 2.642 1
2 67 . 8 1 1 A 9 9 LEU H H 4 8.202 7.733 0.469 1
2 68 . 8 1 1 A 9 9 LEU CA C 4 57.495 57.902 -0.407 1
2 69 . 8 1 1 A 9 9 LEU HA H 4 4.086 3.983 0.103 1
2 70 . 8 1 1 A 9 9 LEU CB C 4 41.905 41.720 0.185 1
2 82 . 8 1 1 A 9 9 LEU C C 4 178.839 178.716 0.123 1
2 83 . 8 1 1 A 10 10 VAL N N 5 119.385 119.191 0.194 1
2 84 . 8 1 1 A 10 10 VAL H H 5 8.186 8.307 -0.121 1
2 85 . 8 1 1 A 10 10 VAL CA C 5 66.585 66.679 -0.094 1
2 86 . 8 1 1 A 10 10 VAL HA H 5 3.420 3.508 -0.088 1
2 87 . 8 1 1 A 10 10 VAL CB C 5 31.177 31.612 -0.435 1
2 97 . 8 1 1 A 10 10 VAL C C 5 177.439 177.828 -0.389 1
2 98 . 8 1 1 A 11 11 SER N N 6 115.027 116.059 -1.032 1
2 99 . 8 1 1 A 11 11 SER H H 6 8.252 8.143 0.109 1
2 100 . 8 1 1 A 11 11 SER CA C 6 61.152 62.253 -1.101 1
2 101 . 8 1 1 A 11 11 SER HA H 6 4.055 4.101 -0.046 1
2 102 . 8 1 1 A 11 11 SER CB C 6 62.161 62.669 -0.508 1
2 105 . 8 1 1 A 11 11 SER C C 6 176.036 176.603 -0.567 1
2 106 . 8 1 1 A 12 12 SER N N 7 115.144 117.049 -1.905 1
2 107 . 8 1 1 A 12 12 SER H H 7 8.053 8.071 -0.018 1
2 108 . 8 1 1 A 12 12 SER CA C 7 60.168 61.465 -1.297 1
2 109 . 8 1 1 A 12 12 SER HA H 7 4.284 4.066 0.218 1
2 110 . 8 1 1 A 12 12 SER CB C 7 62.706 62.959 -0.253 1
2 113 . 8 1 1 A 12 12 SER C C 7 176.540 176.564 -0.024 1
2 114 . 8 1 1 A 13 13 CYS N N 8 118.211 119.091 -0.880 1
2 115 . 8 1 1 A 13 13 CYS H H 8 7.919 8.394 -0.475 1
2 116 . 8 1 1 A 13 13 CYS CA C 8 63.651 63.962 -0.311 1
2 117 . 8 1 1 A 13 13 CYS HA H 8 4.026 4.045 -0.019 1
2 118 . 8 1 1 A 13 13 CYS CB C 8 26.641 26.819 -0.178 1
2 121 . 8 1 1 A 13 13 CYS C C 8 175.645 177.102 -1.457 1
2 122 . 8 1 1 A 14 14 LYS N N 9 120.074 121.297 -1.223 1
2 123 . 8 1 1 A 14 14 LYS H H 9 8.632 8.291 0.341 1
2 124 . 8 1 1 A 14 14 LYS CA C 9 60.441 59.679 0.762 1
2 125 . 8 1 1 A 14 14 LYS HA H 9 3.672 3.943 -0.271 1
2 126 . 8 1 1 A 14 14 LYS CB C 9 31.685 32.148 -0.463 1
2 138 . 8 1 1 A 14 14 LYS C C 9 177.615 178.062 -0.447 1
2 139 . 8 1 1 A 15 15 ASP N N 10 117.613 119.499 -1.886 1
2 140 . 8 1 1 A 15 15 ASP H H 10 7.732 8.175 -0.443 1
2 141 . 8 1 1 A 15 15 ASP CA C 10 56.175 57.481 -1.306 1
2 142 . 8 1 1 A 15 15 ASP HA H 10 4.307 4.242 0.065 1
2 143 . 8 1 1 A 15 15 ASP CB C 10 40.056 41.637 -1.581 1
2 146 . 8 1 1 A 15 15 ASP C C 10 177.650 178.656 -1.006 1
2 147 . 8 1 1 A 16 16 LYS N N 11 117.878 119.382 -1.504 1
2 148 . 8 1 1 A 16 16 LYS H H 11 7.254 7.746 -0.492 1
2 149 . 8 1 1 A 16 16 LYS CA C 11 58.962 59.018 -0.056 1
2 150 . 8 1 1 A 16 16 LYS HA H 11 3.645 3.663 -0.018 1
2 151 . 8 1 1 A 16 16 LYS CB C 11 32.951 32.046 0.905 1
2 160 . 8 1 1 A 16 16 LYS C C 11 177.263 178.150 -0.887 1
2 161 . 8 1 1 A 17 17 LEU N N 12 115.652 121.675 -6.023 1
2 162 . 8 1 1 A 17 17 LEU H H 12 8.138 8.540 -0.402 1
2 163 . 8 1 1 A 17 17 LEU CA C 12 56.726 58.187 -1.461 1
2 164 . 8 1 1 A 17 17 LEU HA H 12 3.579 4.297 -0.718 1
2 165 . 8 1 1 A 17 17 LEU CB C 12 41.959 41.486 0.473 1
2 176 . 8 1 1 A 17 17 LEU C C 12 177.485 178.620 -1.135 1
2 177 . 8 1 1 A 18 18 ALA N N 13 116.044 120.828 -4.784 1
2 178 . 8 1 1 A 18 18 ALA H H 13 7.080 8.606 -1.526 1
2 179 . 8 1 1 A 18 18 ALA CA C 13 53.389 54.822 -1.433 1
2 180 . 8 1 1 A 18 18 ALA HA H 13 3.963 4.104 -0.141 1
2 184 . 8 1 1 A 18 18 ALA CB C 13 18.161 18.563 -0.402 1
2 185 . 8 1 1 A 18 18 ALA C C 13 178.207 179.704 -1.497 1
2 186 . 8 1 1 A 19 19 TYR N N 14 115.556 119.303 -3.747 1
2 187 . 8 1 1 A 19 19 TYR H H 14 7.675 7.601 0.074 1
2 188 . 8 1 1 A 19 19 TYR CA C 14 58.647 59.709 -1.062 1
2 189 . 8 1 1 A 19 19 TYR HA H 14 4.304 4.164 0.140 1
2 190 . 8 1 1 A 19 19 TYR CB C 14 38.609 39.106 -0.497 1
2 199 . 8 1 1 A 19 19 TYR C C 14 175.911 175.826 0.085 1
2 200 . 8 1 1 A 20 20 PHE N N 15 118.275 119.318 -1.043 1
2 201 . 8 1 1 A 20 20 PHE H H 15 7.406 7.720 -0.314 1
2 202 . 8 1 1 A 20 20 PHE CA C 15 56.615 57.388 -0.773 1
2 203 . 8 1 1 A 20 20 PHE HA H 15 4.649 4.762 -0.113 1
2 204 . 8 1 1 A 20 20 PHE CB C 15 38.750 40.268 -1.518 1
2 215 . 8 1 1 A 20 20 PHE C C 15 176.160 175.751 0.409 1
2 216 . 8 1 1 A 21 21 ARG N N 16 119.140 122.445 -3.305 1
2 217 . 8 1 1 A 21 21 ARG H H 16 8.714 8.639 0.075 1
2 218 . 8 1 1 A 21 21 ARG CA C 16 54.349 56.613 -2.264 1
2 219 . 8 1 1 A 21 21 ARG HA H 16 4.751 4.318 0.433 1
2 220 . 8 1 1 A 21 21 ARG CB C 16 30.097 31.187 -1.090 1
2 236 . 8 1 1 A 21 21 ARG C C 16 177.095 177.719 -0.624 1
2 237 . 8 1 1 A 22 22 ILE N N 17 120.734 122.105 -1.371 1
2 238 . 8 1 1 A 22 22 ILE H H 17 8.708 8.817 -0.109 1
2 239 . 8 1 1 A 22 22 ILE CA C 17 65.145 64.839 0.306 1
2 240 . 8 1 1 A 22 22 ILE HA H 17 3.720 3.722 -0.002 1
2 241 . 8 1 1 A 22 22 ILE CB C 17 36.857 37.706 -0.849 1
2 254 . 8 1 1 A 22 22 ILE C C 17 176.745 178.151 -1.406 1
2 255 . 8 1 1 A 23 23 LYS N N 18 118.184 121.059 -2.875 1
2 256 . 8 1 1 A 23 23 LYS H H 18 8.267 8.221 0.046 1
2 257 . 8 1 1 A 23 23 LYS CA C 18 59.829 60.074 -0.245 1
2 258 . 8 1 1 A 23 23 LYS HA H 18 3.897 3.889 0.008 1
2 259 . 8 1 1 A 23 23 LYS CB C 18 32.268 32.255 0.013 1
2 271 . 8 1 1 A 23 23 LYS C C 18 178.159 178.922 -0.763 1
2 272 . 8 1 1 A 24 24 GLU N N 19 117.654 119.461 -1.807 1
2 273 . 8 1 1 A 24 24 GLU H H 19 7.198 7.943 -0.745 1
2 274 . 8 1 1 A 24 24 GLU CA C 19 60.612 59.112 1.500 1
2 275 . 8 1 1 A 24 24 GLU HA H 19 4.030 3.995 0.035 1
2 276 . 8 1 1 A 24 24 GLU CB C 19 28.859 29.518 -0.659 1
2 282 . 8 1 1 A 24 24 GLU C C 19 178.521 178.926 -0.405 1
2 283 . 8 1 1 A 25 25 LEU N N 20 119.236 120.229 -0.993 1
2 284 . 8 1 1 A 25 25 LEU H H 20 7.980 8.261 -0.281 1
2 285 . 8 1 1 A 25 25 LEU CA C 20 57.676 58.047 -0.371 1
2 286 . 8 1 1 A 25 25 LEU HA H 20 3.904 3.976 -0.072 1
2 287 . 8 1 1 A 25 25 LEU CB C 20 42.218 41.772 0.446 1
2 294 . 8 1 1 A 25 25 LEU C C 20 177.990 179.483 -1.493 1
2 295 . 8 1 1 A 26 26 LYS N N 21 117.457 119.281 -1.824 1
2 296 . 8 1 1 A 26 26 LYS H H 21 8.770 8.534 0.236 1
2 297 . 8 1 1 A 26 26 LYS CA C 21 60.660 59.931 0.729 1
2 298 . 8 1 1 A 26 26 LYS HA H 21 3.787 3.934 -0.147 1
2 299 . 8 1 1 A 26 26 LYS CB C 21 31.876 32.258 -0.382 1
2 300 . 8 1 1 A 26 26 LYS C C 21 177.625 178.967 -1.342 1
2 301 . 8 1 1 A 27 27 ASP N N 22 119.023 120.127 -1.104 1
2 302 . 8 1 1 A 27 27 ASP H H 22 7.671 8.111 -0.440 1
2 303 . 8 1 1 A 27 27 ASP CA C 22 56.974 57.267 -0.293 1
2 304 . 8 1 1 A 27 27 ASP HA H 22 4.392 4.450 -0.058 1
2 305 . 8 1 1 A 27 27 ASP CB C 22 40.250 40.852 -0.602 1
2 308 . 8 1 1 A 27 27 ASP C C 22 180.796 178.949 1.847 1
2 309 . 8 1 1 A 28 28 ILE N N 23 119.318 119.998 -0.680 1
2 310 . 8 1 1 A 28 28 ILE H H 23 8.039 7.859 0.180 1
2 311 . 8 1 1 A 28 28 ILE CA C 23 65.365 65.539 -0.174 1
2 312 . 8 1 1 A 28 28 ILE HA H 23 3.587 3.630 -0.043 1
2 313 . 8 1 1 A 28 28 ILE CB C 23 37.408 38.233 -0.825 1
2 326 . 8 1 1 A 28 28 ILE C C 23 177.265 178.362 -1.097 1
2 327 . 8 1 1 A 29 29 LEU N N 24 120.356 119.112 1.244 1
2 328 . 8 1 1 A 29 29 LEU H H 24 8.220 8.130 0.090 1
2 329 . 8 1 1 A 29 29 LEU CA C 24 58.562 58.104 0.458 1
2 330 . 8 1 1 A 29 29 LEU HA H 24 3.806 3.965 -0.159 1
2 331 . 8 1 1 A 29 29 LEU CB C 24 39.477 41.198 -1.721 1
2 339 . 8 1 1 A 29 29 LEU C C 24 178.572 178.670 -0.098 1
2 340 . 8 1 1 A 30 30 ASN N N 25 117.446 117.491 -0.045 1
2 341 . 8 1 1 A 30 30 ASN H H 25 8.688 8.703 -0.015 1
2 342 . 8 1 1 A 30 30 ASN CA C 25 56.092 57.060 -0.968 1
2 343 . 8 1 1 A 30 30 ASN HA H 25 4.493 4.332 0.161 1
2 344 . 8 1 1 A 30 30 ASN CB C 25 38.809 38.831 -0.022 1
2 351 . 8 1 1 A 30 30 ASN C C 25 178.884 177.800 1.084 1
2 352 . 8 1 1 A 31 31 GLN N N 26 119.946 117.841 2.105 1
2 353 . 8 1 1 A 31 31 GLN H H 26 8.184 7.876 0.308 1
2 354 . 8 1 1 A 31 31 GLN CA C 26 58.786 58.799 -0.013 1
2 355 . 8 1 1 A 31 31 GLN HA H 26 4.041 4.022 0.019 1
2 356 . 8 1 1 A 31 31 GLN CB C 26 29.089 28.306 0.783 1
2 366 . 8 1 1 A 31 31 GLN C C 26 177.656 178.744 -1.088 1
2 367 . 8 1 1 A 32 32 LEU N N 27 116.979 120.592 -3.613 1
2 368 . 8 1 1 A 32 32 LEU H H 27 7.893 7.818 0.075 1
2 369 . 8 1 1 A 32 32 LEU CA C 27 54.545 56.584 -2.039 1
2 370 . 8 1 1 A 32 32 LEU HA H 27 4.227 4.161 0.066 1
2 371 . 8 1 1 A 32 32 LEU CB C 27 42.063 43.048 -0.985 1
2 382 . 8 1 1 A 32 32 LEU C C 27 175.733 176.970 -1.237 1
2 383 . 8 1 1 A 33 33 GLY N N 28 108.299 107.666 0.633 1
2 384 . 8 1 1 A 33 33 GLY H H 28 7.834 8.483 -0.649 1
2 385 . 8 1 1 A 33 33 GLY CA C 28 45.707 46.462 -0.755 1
2 386 . 8 1 1 A 33 33 GLY HA2 H 28 3.952 3.986 -0.034 1
2 387 . 8 1 1 A 33 33 GLY HA3 H 28 3.952 3.986 -0.034 1
2 388 . 8 1 1 A 33 33 GLY C C 28 174.317 174.571 -0.254 1
2 389 . 8 1 1 A 34 34 LEU N N 29 120.833 121.377 -0.544 1
2 390 . 8 1 1 A 34 34 LEU H H 29 7.986 7.640 0.346 1
2 391 . 8 1 1 A 34 34 LEU CA C 29 51.558 52.284 -0.726 1
2 392 . 8 1 1 A 34 34 LEU HA H 29 4.744 4.774 -0.030 1
2 393 . 8 1 1 A 34 34 LEU CB C 29 43.525 43.019 0.506 1
2 405 . 8 1 1 A 35 35 PRO CA C 30 62.707 62.427 0.280 1
2 406 . 8 1 1 A 35 35 PRO HA H 30 4.351 4.639 -0.288 1
2 407 . 8 1 1 A 35 35 PRO CB C 30 31.919 29.358 2.561 1
2 415 . 8 1 1 A 35 35 PRO C C 30 177.488 175.642 1.846 1
2 416 . 8 1 1 A 36 36 LYS N N 31 117.590 123.084 -5.494 1
2 417 . 8 1 1 A 36 36 LYS H H 31 8.380 8.380 0.000 1
2 418 . 8 1 1 A 36 36 LYS CA C 31 55.660 55.812 -0.152 1
2 419 . 8 1 1 A 36 36 LYS HA H 31 4.286 4.505 -0.219 1
2 420 . 8 1 1 A 36 36 LYS CB C 31 33.239 32.612 0.627 1
2 430 . 8 1 1 A 36 36 LYS C C 31 174.384 174.998 -0.614 1
2 431 . 8 1 1 A 37 37 GLN N N 32 118.260 121.048 -2.788 1
2 432 . 8 1 1 A 37 37 GLN H H 32 7.698 8.179 -0.481 1
2 433 . 8 1 1 A 37 37 GLN CA C 32 55.550 54.001 1.549 1
2 434 . 8 1 1 A 37 37 GLN HA H 32 4.376 4.888 -0.512 1
2 435 . 8 1 1 A 37 37 GLN CB C 32 28.221 31.711 -3.490 1
2 445 . 8 1 1 A 37 37 GLN C C 32 175.222 175.817 -0.595 1
2 446 . 8 1 1 A 38 38 GLY N N 33 109.855 108.868 0.987 1
2 447 . 8 1 1 A 38 38 GLY H H 33 8.449 8.372 0.077 1
2 448 . 8 1 1 A 38 38 GLY CA C 33 43.235 44.525 -1.290 1
2 449 . 8 1 1 A 38 38 GLY HA2 H 33 4.566 4.095 0.471 1
2 450 . 8 1 1 A 38 38 GLY HA3 H 33 3.789 4.095 -0.306 1
2 451 . 8 1 1 A 38 38 GLY C C 33 173.603 173.223 0.380 1
2 452 . 8 1 1 A 39 39 LYS N N 34 117.627 119.900 -2.273 1
2 453 . 8 1 1 A 39 39 LYS H H 34 8.649 8.275 0.374 1
2 454 . 8 1 1 A 39 39 LYS CA C 34 54.563 54.208 0.355 1
2 455 . 8 1 1 A 39 39 LYS HA H 34 4.394 4.573 -0.179 1
2 456 . 8 1 1 A 39 39 LYS CB C 34 32.892 33.550 -0.658 1
2 468 . 8 1 1 A 39 39 LYS C C 34 176.803 178.213 -1.410 1
2 469 . 8 1 1 A 40 40 LYS N N 35 121.705 119.140 2.565 1
2 470 . 8 1 1 A 40 40 LYS H H 35 8.920 8.630 0.290 1
2 471 . 8 1 1 A 40 40 LYS CA C 35 61.559 59.279 2.280 1
2 472 . 8 1 1 A 40 40 LYS HA H 35 3.597 3.951 -0.354 1
2 473 . 8 1 1 A 40 40 LYS CB C 35 31.953 32.282 -0.329 1
2 485 . 8 1 1 A 40 40 LYS C C 35 177.362 178.367 -1.005 1
2 486 . 8 1 1 A 41 41 GLN N N 36 114.637 118.578 -3.941 1
2 487 . 8 1 1 A 41 41 GLN H H 36 9.017 7.905 1.112 1
2 488 . 8 1 1 A 41 41 GLN CA C 36 57.638 58.766 -1.128 1
2 489 . 8 1 1 A 41 41 GLN HA H 36 3.719 4.049 -0.330 1
2 490 . 8 1 1 A 41 41 GLN CB C 36 27.865 28.292 -0.427 1
2 500 . 8 1 1 A 41 41 GLN C C 36 176.975 178.635 -1.660 1
2 501 . 8 1 1 A 42 42 ASP N N 37 115.984 120.250 -4.266 1
2 502 . 8 1 1 A 42 42 ASP H H 37 7.049 8.132 -1.083 1
2 503 . 8 1 1 A 42 42 ASP CA C 37 56.424 57.402 -0.978 1
2 504 . 8 1 1 A 42 42 ASP HA H 37 4.303 4.392 -0.089 1
2 505 . 8 1 1 A 42 42 ASP CB C 37 39.955 41.039 -1.084 1
2 508 . 8 1 1 A 42 42 ASP C C 37 178.454 178.912 -0.458 1
2 509 . 8 1 1 A 43 43 LEU N N 38 119.074 120.257 -1.183 1
2 510 . 8 1 1 A 43 43 LEU H H 38 7.725 8.089 -0.364 1
2 511 . 8 1 1 A 43 43 LEU CA C 38 57.716 58.032 -0.316 1
2 512 . 8 1 1 A 43 43 LEU HA H 38 3.794 4.006 -0.212 1
2 513 . 8 1 1 A 43 43 LEU CB C 38 40.211 42.302 -2.091 1
2 526 . 8 1 1 A 43 43 LEU C C 38 177.872 178.916 -1.044 1
2 527 . 8 1 1 A 44 44 ILE N N 39 118.343 118.375 -0.032 1
2 528 . 8 1 1 A 44 44 ILE H H 39 7.867 8.122 -0.255 1
2 529 . 8 1 1 A 44 44 ILE CA C 39 66.211 65.524 0.687 1
2 530 . 8 1 1 A 44 44 ILE HA H 39 3.319 3.512 -0.193 1
2 531 . 8 1 1 A 44 44 ILE CB C 39 37.985 37.736 0.249 1
2 541 . 8 1 1 A 44 44 ILE C C 39 177.711 177.780 -0.069 1
2 542 . 8 1 1 A 45 45 ASP N N 40 118.535 120.432 -1.897 1
2 543 . 8 1 1 A 45 45 ASP H H 40 8.503 8.340 0.163 1
2 544 . 8 1 1 A 45 45 ASP CA C 40 56.817 57.222 -0.405 1
2 545 . 8 1 1 A 45 45 ASP HA H 40 4.256 4.453 -0.197 1
2 546 . 8 1 1 A 45 45 ASP CB C 40 39.815 41.831 -2.016 1
2 549 . 8 1 1 A 45 45 ASP C C 40 178.464 178.895 -0.431 1
2 550 . 8 1 1 A 46 46 ARG N N 41 120.910 119.847 1.063 1
2 551 . 8 1 1 A 46 46 ARG H H 41 7.717 7.828 -0.111 1
2 552 . 8 1 1 A 46 46 ARG CA C 41 59.054 59.787 -0.733 1
2 553 . 8 1 1 A 46 46 ARG HA H 41 3.993 4.039 -0.046 1
2 554 . 8 1 1 A 46 46 ARG CB C 41 29.778 30.830 -1.052 1
2 563 . 8 1 1 A 46 46 ARG C C 41 177.565 178.597 -1.032 1
2 564 . 8 1 1 A 47 47 VAL N N 42 117.438 119.756 -2.318 1
2 565 . 8 1 1 A 47 47 VAL H H 42 7.445 7.960 -0.515 1
2 566 . 8 1 1 A 47 47 VAL CA C 42 66.095 66.440 -0.345 1
2 567 . 8 1 1 A 47 47 VAL HA H 42 3.446 3.685 -0.239 1
2 568 . 8 1 1 A 47 47 VAL CB C 42 31.113 31.682 -0.569 1
2 578 . 8 1 1 A 47 47 VAL C C 42 177.710 178.078 -0.368 1
2 579 . 8 1 1 A 48 48 LEU N N 43 117.085 117.767 -0.682 1
2 580 . 8 1 1 A 48 48 LEU H H 43 8.466 8.137 0.329 1
2 581 . 8 1 1 A 48 48 LEU CA C 43 57.406 57.899 -0.493 1
2 582 . 8 1 1 A 48 48 LEU HA H 43 3.851 3.935 -0.084 1
2 583 . 8 1 1 A 48 48 LEU CB C 43 40.779 41.228 -0.449 1
2 596 . 8 1 1 A 48 48 LEU C C 43 179.581 179.442 0.139 1
2 597 . 8 1 1 A 49 49 ALA N N 44 120.480 121.778 -1.298 1
2 598 . 8 1 1 A 49 49 ALA H H 44 7.952 8.142 -0.190 1
2 599 . 8 1 1 A 49 49 ALA CA C 44 53.998 54.405 -0.407 1
2 600 . 8 1 1 A 49 49 ALA HA H 44 4.104 4.141 -0.037 1
2 604 . 8 1 1 A 49 49 ALA CB C 44 17.685 18.487 -0.802 1
2 605 . 8 1 1 A 49 49 ALA C C 44 178.926 179.509 -0.583 1
2 606 . 8 1 1 A 50 50 LEU N N 45 115.306 120.546 -5.240 1
2 607 . 8 1 1 A 50 50 LEU H H 45 7.428 7.851 -0.423 1
2 608 . 8 1 1 A 50 50 LEU CA C 45 55.650 57.641 -1.991 1
2 609 . 8 1 1 A 50 50 LEU HA H 45 4.206 4.101 0.105 1
2 610 . 8 1 1 A 50 50 LEU CB C 45 41.937 41.959 -0.022 1
2 623 . 8 1 1 A 50 50 LEU C C 45 177.840 178.627 -0.787 1
2 624 . 8 1 1 A 51 51 LEU N N 46 115.880 118.744 -2.864 1
2 625 . 8 1 1 A 51 51 LEU H H 46 7.642 7.877 -0.235 1
2 626 . 8 1 1 A 51 51 LEU CA C 46 54.861 55.741 -0.880 1
2 627 . 8 1 1 A 51 51 LEU HA H 46 4.260 4.294 -0.034 1
2 628 . 8 1 1 A 51 51 LEU CB C 46 42.228 42.064 0.164 1
2 638 . 8 1 1 A 51 51 LEU C C 46 176.015 177.441 -1.426 1
2 639 . 8 1 1 A 52 52 THR N N 47 109.201 112.545 -3.344 1
2 640 . 8 1 1 A 52 52 THR H H 47 7.515 7.494 0.021 1
2 641 . 8 1 1 A 52 52 THR CA C 47 60.972 64.316 -3.344 1
2 642 . 8 1 1 A 52 52 THR HA H 47 4.345 4.329 0.016 1
2 643 . 8 1 1 A 52 52 THR CB C 47 69.620 69.968 -0.348 1
2 649 . 8 1 1 A 52 52 THR C C 47 173.733 175.307 -1.574 1
2 650 . 8 1 1 A 53 53 ASP N N 48 122.188 117.727 4.461 1
2 651 . 8 1 1 A 53 53 ASP H H 48 8.280 8.082 0.198 1
2 652 . 8 1 1 A 53 53 ASP CA C 48 54.205 55.096 -0.891 1
2 653 . 8 1 1 A 53 53 ASP HA H 48 4.686 4.589 0.097 1
2 654 . 8 1 1 A 53 53 ASP CB C 48 40.766 41.351 -0.585 1
2 658 . 8 1 1 A 53 53 ASP C C 48 176.000 176.479 -0.479 1
2 659 . 8 1 1 A 54 54 GLU N N 49 121.966 118.977 2.989 1
2 660 . 8 1 1 A 54 54 GLU H H 49 8.589 7.855 0.734 1
2 661 . 8 1 1 A 54 54 GLU CA C 49 56.448 55.602 0.846 1
2 662 . 8 1 1 A 54 54 GLU HA H 49 4.234 4.640 -0.406 1
2 663 . 8 1 1 A 54 54 GLU CB C 49 29.642 30.863 -1.221 1
2 669 . 8 1 1 A 54 54 GLU C C 49 176.522 176.749 -0.227 1
2 670 . 8 1 1 A 55 55 GLN N N 50 120.727 119.472 1.255 1
2 671 . 8 1 1 A 55 55 GLN H H 50 8.642 7.978 0.664 1
2 672 . 8 1 1 A 55 55 GLN CA C 50 56.251 57.207 -0.956 1
2 673 . 8 1 1 A 55 55 GLN HA H 50 4.217 4.222 -0.005 1
2 674 . 8 1 1 A 55 55 GLN CB C 50 28.555 29.359 -0.804 1
2 684 . 8 1 1 A 55 55 GLN C C 50 176.519 176.295 0.224 1
2 685 . 8 1 1 A 56 56 GLY N N 51 109.357 108.368 0.989 1
2 686 . 8 1 1 A 56 56 GLY H H 51 8.519 7.939 0.580 1
2 687 . 8 1 1 A 56 56 GLY CA C 51 45.276 45.343 -0.067 1
2 688 . 8 1 1 A 56 56 GLY HA2 H 51 3.950 4.068 -0.118 1
2 689 . 8 1 1 A 56 56 GLY HA3 H 51 3.809 4.106 -0.297 1
2 690 . 8 1 1 A 56 56 GLY C C 51 174.146 174.935 -0.789 1
2 691 . 8 1 1 A 57 57 GLN N N 52 119.207 115.775 3.432 1
2 692 . 8 1 1 A 57 57 GLN H H 52 8.263 8.569 -0.306 1
2 693 . 8 1 1 A 57 57 GLN CA C 52 55.572 57.470 -1.898 1
2 694 . 8 1 1 A 57 57 GLN HA H 52 4.203 4.080 0.123 1
2 695 . 8 1 1 A 57 57 GLN CB C 52 28.656 27.000 1.656 1
2 705 . 8 1 1 A 57 57 GLN C C 52 175.872 175.264 0.608 1
2 706 . 8 1 1 A 58 58 ARG N N 53 120.525 111.051 9.474 1
2 707 . 8 1 1 A 58 58 ARG H H 53 8.279 8.528 -0.249 1
2 708 . 8 1 1 A 58 58 ARG CA C 53 55.883 57.355 -1.472 1
2 709 . 8 1 1 A 58 58 ARG HA H 53 4.176 4.162 0.014 1
2 710 . 8 1 1 A 58 58 ARG CB C 53 30.031 27.280 2.751 1
2 721 . 8 1 1 A 58 58 ARG C C 53 175.820 175.880 -0.060 1
2 722 . 8 1 1 A 59 59 HIS N N 54 118.905 117.368 1.537 1
2 723 . 8 1 1 A 59 59 HIS H H 54 8.398 8.538 -0.140 1
2 724 . 8 1 1 A 59 59 HIS CA C 54 54.908 59.425 -4.517 1
2 725 . 8 1 1 A 59 59 HIS HA H 54 4.548 4.554 -0.006 1
2 726 . 8 1 1 A 59 59 HIS CB C 54 28.953 31.211 -2.258 1
2 729 . 8 1 1 A 59 59 HIS C C 54 174.136 175.254 -1.118 1
2 730 . 8 1 1 A 60 60 HIS N N 55 119.527 111.640 7.887 1
2 731 . 8 1 1 A 60 60 HIS H H 55 8.493 8.101 0.392 1
2 732 . 8 1 1 A 60 60 HIS CA C 55 55.274 53.988 1.286 1
2 733 . 8 1 1 A 60 60 HIS HA H 55 4.552 4.338 0.214 1
2 734 . 8 1 1 A 60 60 HIS CB C 55 28.913 31.367 -2.454 1
2 737 . 8 1 1 A 60 60 HIS C C 55 174.595 173.515 1.080 1
2 738 . 8 1 1 A 61 61 GLY N N 56 110.215 107.629 2.586 1
2 739 . 8 1 1 A 61 61 GLY H H 56 8.604 7.377 1.227 1
2 740 . 8 1 1 A 61 61 GLY CA C 56 44.977 45.251 -0.274 1
2 741 . 8 1 1 A 61 61 GLY HA2 H 56 3.956 3.455 0.501 1
2 742 . 8 1 1 A 61 61 GLY HA3 H 56 3.831 3.525 0.306 1
2 743 . 8 1 1 A 61 61 GLY C C 56 173.752 174.393 -0.641 1
2 744 . 8 1 1 A 62 62 TRP N N 57 120.700 118.023 2.677 1
2 745 . 8 1 1 A 62 62 TRP H H 57 8.175 7.258 0.917 1
2 746 . 8 1 1 A 62 62 TRP CA C 57 56.929 58.209 -1.280 1
2 747 . 8 1 1 A 62 62 TRP HA H 57 4.663 4.729 -0.066 1
2 748 . 8 1 1 A 62 62 TRP CB C 57 29.142 30.951 -1.809 1
2 763 . 8 1 1 A 62 62 TRP C C 57 176.442 177.472 -1.030 1
2 764 . 8 1 1 A 63 63 GLY N N 58 110.195 108.646 1.549 1
2 765 . 8 1 1 A 63 63 GLY H H 58 8.452 8.313 0.139 1
2 766 . 8 1 1 A 63 63 GLY CA C 58 45.052 45.480 -0.428 1
2 767 . 8 1 1 A 63 63 GLY HA2 H 58 3.925 3.995 -0.070 1
2 768 . 8 1 1 A 63 63 GLY HA3 H 58 3.833 4.038 -0.205 1
2 769 . 8 1 1 A 63 63 GLY C C 58 173.738 174.864 -1.126 1
2 770 . 8 1 1 A 64 64 ARG N N 59 120.374 119.176 1.198 1
2 771 . 8 1 1 A 64 64 ARG H H 59 8.136 8.781 -0.645 1
2 772 . 8 1 1 A 64 64 ARG CA C 59 55.799 57.436 -1.637 1
2 773 . 8 1 1 A 64 64 ARG HA H 59 4.287 4.169 0.118 1
2 774 . 8 1 1 A 64 64 ARG CB C 59 30.371 28.234 2.137 1
2 785 . 8 1 1 A 64 64 ARG C C 59 176.287 176.342 -0.055 1
2 786 . 8 1 1 A 65 65 LYS N N 60 121.593 116.936 4.657 1
2 787 . 8 1 1 A 65 65 LYS H H 60 8.483 7.983 0.500 1
2 788 . 8 1 1 A 65 65 LYS CA C 60 56.353 56.810 -0.457 1
2 789 . 8 1 1 A 65 65 LYS HA H 60 4.218 4.688 -0.470 1
2 790 . 8 1 1 A 65 65 LYS CB C 60 32.260 33.956 -1.696 1
2 796 . 8 1 1 A 65 65 LYS C C 60 176.102 177.641 -1.539 1
2 797 . 8 1 1 A 66 66 ASN N N 61 118.654 119.084 -0.430 1
2 798 . 8 1 1 A 66 66 ASN H H 61 8.413 8.309 0.104 1
2 799 . 8 1 1 A 66 66 ASN CA C 61 53.055 55.732 -2.677 1
2 800 . 8 1 1 A 66 66 ASN HA H 61 4.639 4.507 0.132 1
2 801 . 8 1 1 A 66 66 ASN CB C 61 38.385 38.275 0.110 1
2 808 . 8 1 1 A 66 66 ASN C C 61 174.531 175.678 -1.147 1
2 809 . 8 1 1 A 67 67 SER N N 62 115.491 111.478 4.013 1
2 810 . 8 1 1 A 67 67 SER H H 62 8.288 8.088 0.200 1
2 811 . 8 1 1 A 67 67 SER CA C 62 57.980 59.442 -1.462 1
2 812 . 8 1 1 A 67 67 SER HA H 62 4.283 4.260 0.023 1
2 813 . 8 1 1 A 67 67 SER CB C 62 63.205 61.378 1.827 1
2 816 . 8 1 1 A 67 67 SER C C 62 173.864 173.984 -0.120 1
2 817 . 8 1 1 A 68 68 LEU N N 63 123.549 116.334 7.215 1
2 818 . 8 1 1 A 68 68 LEU H H 63 8.063 7.891 0.172 1
2 819 . 8 1 1 A 68 68 LEU CA C 63 54.098 54.023 0.075 1
2 820 . 8 1 1 A 68 68 LEU HA H 63 4.481 4.660 -0.179 1
2 821 . 8 1 1 A 68 68 LEU CB C 63 42.494 42.524 -0.030 1
2 834 . 8 1 1 A 68 68 LEU C C 63 176.532 176.445 0.087 1
2 835 . 8 1 1 A 69 69 THR N N 64 112.637 111.299 1.338 1
2 836 . 8 1 1 A 69 69 THR H H 64 7.797 7.522 0.275 1
2 837 . 8 1 1 A 69 69 THR CA C 64 59.915 59.514 0.401 1
2 838 . 8 1 1 A 69 69 THR HA H 64 4.490 4.799 -0.309 1
2 839 . 8 1 1 A 69 69 THR CB C 64 70.852 72.065 -1.213 1
2 845 . 8 1 1 A 69 69 THR C C 64 174.998 176.173 -1.175 1
2 846 . 8 1 1 A 70 70 LYS N N 65 120.128 119.372 0.756 1
2 847 . 8 1 1 A 70 70 LYS H H 65 9.059 9.081 -0.022 1
2 848 . 8 1 1 A 70 70 LYS CA C 65 59.535 59.015 0.520 1
2 849 . 8 1 1 A 70 70 LYS HA H 65 3.909 4.046 -0.137 1
2 850 . 8 1 1 A 70 70 LYS CB C 65 31.890 31.984 -0.094 1
2 858 . 8 1 1 A 70 70 LYS C C 65 177.536 178.563 -1.027 1
2 859 . 8 1 1 A 71 71 GLU N N 66 117.667 119.846 -2.179 1
2 860 . 8 1 1 A 71 71 GLU H H 66 8.699 8.432 0.267 1
2 861 . 8 1 1 A 71 71 GLU CA C 66 60.199 59.161 1.038 1
2 862 . 8 1 1 A 71 71 GLU HA H 66 3.806 4.085 -0.279 1
2 863 . 8 1 1 A 71 71 GLU CB C 66 27.986 29.727 -1.741 1
2 870 . 8 1 1 A 71 71 GLU C C 66 178.416 178.983 -0.567 1
2 871 . 8 1 1 A 72 72 ALA N N 67 123.924 122.349 1.575 1
2 872 . 8 1 1 A 72 72 ALA H H 67 7.992 7.585 0.407 1
2 873 . 8 1 1 A 72 72 ALA CA C 67 54.477 54.914 -0.437 1
2 874 . 8 1 1 A 72 72 ALA HA H 67 4.110 4.082 0.028 1
2 878 . 8 1 1 A 72 72 ALA CB C 67 18.301 18.567 -0.266 1
2 879 . 8 1 1 A 72 72 ALA C C 67 178.721 179.517 -0.796 1
2 880 . 8 1 1 A 73 73 VAL N N 68 119.434 117.907 1.527 1
2 881 . 8 1 1 A 73 73 VAL H H 68 8.044 8.068 -0.024 1
2 882 . 8 1 1 A 73 73 VAL CA C 68 66.089 66.609 -0.520 1
2 883 . 8 1 1 A 73 73 VAL HA H 68 3.473 3.563 -0.090 1
2 884 . 8 1 1 A 73 73 VAL CB C 68 31.150 31.618 -0.468 1
2 894 . 8 1 1 A 73 73 VAL C C 68 177.001 178.520 -1.519 1
2 895 . 8 1 1 A 74 74 ALA N N 69 120.671 121.533 -0.862 1
2 896 . 8 1 1 A 74 74 ALA H H 69 8.407 8.087 0.320 1
2 897 . 8 1 1 A 74 74 ALA CA C 69 54.727 55.110 -0.383 1
2 898 . 8 1 1 A 74 74 ALA HA H 69 3.968 4.103 -0.135 1
2 902 . 8 1 1 A 74 74 ALA CB C 69 18.066 18.017 0.049 1
2 903 . 8 1 1 A 74 74 ALA C C 69 178.820 179.667 -0.847 1
2 904 . 8 1 1 A 75 75 LYS N N 70 118.624 117.909 0.715 1
2 905 . 8 1 1 A 75 75 LYS H H 70 7.930 7.942 -0.012 1
2 906 . 8 1 1 A 75 75 LYS CA C 70 58.807 59.964 -1.157 1
2 907 . 8 1 1 A 75 75 LYS HA H 70 4.086 4.004 0.082 1
2 908 . 8 1 1 A 75 75 LYS CB C 70 31.776 32.122 -0.346 1
2 918 . 8 1 1 A 75 75 LYS C C 70 177.424 179.130 -1.706 1
2 919 . 8 1 1 A 76 76 ILE N N 71 120.234 119.869 0.365 1
2 920 . 8 1 1 A 76 76 ILE H H 71 7.478 7.822 -0.344 1
2 921 . 8 1 1 A 76 76 ILE CA C 71 64.885 64.790 0.095 1
2 922 . 8 1 1 A 76 76 ILE HA H 71 3.960 3.709 0.251 1
2 923 . 8 1 1 A 76 76 ILE CB C 71 37.810 37.186 0.624 1
2 936 . 8 1 1 A 76 76 ILE C C 71 179.734 178.289 1.445 1
2 937 . 8 1 1 A 77 77 VAL N N 72 122.502 119.871 2.631 1
2 938 . 8 1 1 A 77 77 VAL H H 72 8.325 7.901 0.424 1
2 939 . 8 1 1 A 77 77 VAL CA C 72 67.450 66.668 0.782 1
2 940 . 8 1 1 A 77 77 VAL HA H 72 3.576 3.556 0.020 1
2 941 . 8 1 1 A 77 77 VAL CB C 72 30.928 31.469 -0.541 1
2 951 . 8 1 1 A 77 77 VAL C C 72 176.906 178.099 -1.193 1
2 952 . 8 1 1 A 78 78 ASP N N 73 120.524 120.420 0.104 1
2 953 . 8 1 1 A 78 78 ASP H H 73 8.798 8.214 0.584 1
2 954 . 8 1 1 A 78 78 ASP CA C 73 58.206 57.577 0.629 1
2 955 . 8 1 1 A 78 78 ASP HA H 73 4.379 4.435 -0.056 1
2 956 . 8 1 1 A 78 78 ASP CB C 73 41.420 41.309 0.111 1
2 960 . 8 1 1 A 78 78 ASP C C 73 178.068 178.487 -0.419 1
2 961 . 8 1 1 A 79 79 ASP N N 74 119.761 119.742 0.019 1
2 962 . 8 1 1 A 79 79 ASP H H 74 9.318 8.107 1.211 1
2 963 . 8 1 1 A 79 79 ASP CA C 74 57.025 57.209 -0.184 1
2 964 . 8 1 1 A 79 79 ASP HA H 74 4.404 4.346 0.058 1
2 965 . 8 1 1 A 79 79 ASP CB C 74 40.007 40.595 -0.588 1
2 969 . 8 1 1 A 79 79 ASP C C 74 178.813 178.689 0.124 1
2 970 . 8 1 1 A 80 80 THR N N 75 117.342 116.609 0.733 1
2 971 . 8 1 1 A 80 80 THR H H 75 8.084 8.387 -0.303 1
2 972 . 8 1 1 A 80 80 THR CA C 75 66.977 66.513 0.464 1
2 973 . 8 1 1 A 80 80 THR HA H 75 3.826 3.852 -0.026 1
2 974 . 8 1 1 A 80 80 THR CB C 75 67.725 67.860 -0.135 1
2 980 . 8 1 1 A 80 80 THR C C 75 175.367 175.753 -0.386 1
2 981 . 8 1 1 A 81 81 TYR N N 76 123.732 121.327 2.405 1
2 982 . 8 1 1 A 81 81 TYR H H 76 8.830 8.167 0.663 1
2 983 . 8 1 1 A 81 81 TYR CA C 76 61.713 61.949 -0.236 1
2 984 . 8 1 1 A 81 81 TYR HA H 76 4.265 4.393 -0.128 1
2 985 . 8 1 1 A 81 81 TYR CB C 76 38.849 38.889 -0.040 1
2 994 . 8 1 1 A 81 81 TYR C C 76 176.700 177.326 -0.626 1
2 995 . 8 1 1 A 82 82 ARG N N 77 118.508 120.150 -1.642 1
2 996 . 8 1 1 A 82 82 ARG H H 77 8.754 8.748 0.006 1
2 997 . 8 1 1 A 82 82 ARG CA C 77 58.792 58.810 -0.018 1
2 998 . 8 1 1 A 82 82 ARG HA H 77 3.890 4.024 -0.134 1
2 999 . 8 1 1 A 82 82 ARG CB C 77 29.498 30.259 -0.761 1
2 1015 . 8 1 1 A 82 82 ARG C C 77 178.748 178.437 0.311 1
2 1016 . 8 1 1 A 83 83 LYS N N 78 118.079 119.788 -1.709 1
2 1017 . 8 1 1 A 83 83 LYS H H 78 7.696 7.843 -0.147 1
2 1018 . 8 1 1 A 83 83 LYS CA C 78 58.671 59.040 -0.369 1
2 1019 . 8 1 1 A 83 83 LYS HA H 78 4.024 4.103 -0.079 1
2 1020 . 8 1 1 A 83 83 LYS CB C 78 32.057 31.665 0.392 1
2 1026 . 8 1 1 A 83 83 LYS C C 78 177.743 178.762 -1.019 1
2 1027 . 8 1 1 A 84 84 MET N N 79 118.241 119.574 -1.333 1
2 1028 . 8 1 1 A 84 84 MET H H 79 7.748 8.018 -0.270 1
2 1029 . 8 1 1 A 84 84 MET CA C 79 57.209 58.341 -1.132 1
2 1030 . 8 1 1 A 84 84 MET HA H 79 4.170 4.183 -0.013 1
2 1031 . 8 1 1 A 84 84 MET CB C 79 32.320 32.607 -0.287 1
2 1041 . 8 1 1 A 84 84 MET C C 79 177.036 177.278 -0.242 1
2 1042 . 8 1 1 A 85 85 GLN N N 80 117.242 114.885 2.357 1
2 1043 . 8 1 1 A 85 85 GLN H H 80 7.843 7.407 0.436 1
2 1044 . 8 1 1 A 85 85 GLN CA C 80 56.523 54.655 1.868 1
2 1045 . 8 1 1 A 85 85 GLN HA H 80 3.993 4.486 -0.493 1
2 1046 . 8 1 1 A 85 85 GLN CB C 80 28.240 30.082 -1.842 1
2 1056 . 8 1 1 A 85 85 GLN C C 80 176.690 175.003 1.687 1
2 1057 . 8 1 1 A 86 86 ILE N N 81 119.178 117.748 1.430 1
2 1058 . 8 1 1 A 86 86 ILE H H 81 7.715 7.472 0.243 1
2 1059 . 8 1 1 A 86 86 ILE CA C 81 62.073 61.808 0.265 1
2 1060 . 8 1 1 A 86 86 ILE HA H 81 3.934 4.310 -0.376 1
2 1061 . 8 1 1 A 86 86 ILE CB C 81 37.966 37.094 0.872 1
2 1074 . 8 1 1 A 86 86 ILE C C 81 176.673 174.540 2.133 1
2 1075 . 8 1 1 A 87 87 GLN N N 82 121.386 126.346 -4.960 1
2 1076 . 8 1 1 A 87 87 GLN H H 82 8.164 8.635 -0.471 1
2 1077 . 8 1 1 A 87 87 GLN CA C 82 55.968 53.991 1.977 1
2 1078 . 8 1 1 A 87 87 GLN HA H 82 4.214 4.551 -0.337 1
2 1079 . 8 1 1 A 87 87 GLN CB C 82 28.735 31.057 -2.322 1
2 1088 . 8 1 1 A 87 87 GLN C C 82 175.836 175.777 0.059 1
2 1089 . 8 1 1 A 88 88 CYS N N 83 118.663 120.503 -1.840 1
2 1090 . 8 1 1 A 88 88 CYS H H 83 8.238 8.386 -0.148 1
2 1091 . 8 1 1 A 88 88 CYS CA C 83 57.997 58.771 -0.774 1
2 1092 . 8 1 1 A 88 88 CYS HA H 83 4.467 4.584 -0.117 1
2 1093 . 8 1 1 A 88 88 CYS CB C 83 27.582 27.553 0.029 1
2 1096 . 8 1 1 A 88 88 CYS C C 83 173.432 173.578 -0.146 1
2 1097 . 8 1 1 A 89 89 ALA N N 84 127.014 121.397 5.617 1
2 1098 . 8 1 1 A 89 89 ALA H H 84 8.249 7.931 0.318 1
2 1099 . 8 1 1 A 89 89 ALA CA C 84 50.607 52.838 -2.231 1
2 1100 . 8 1 1 A 89 89 ALA HA H 84 4.544 4.046 0.498 1
2 1104 . 8 1 1 A 89 89 ALA CB C 84 17.658 17.485 0.173 1
2 1105 . 8 1 1 A 89 89 ALA C C 84 175.125 178.071 -2.946 1
2 1107 . 8 1 1 A 90 90 PRO CA C 85 62.995 63.991 -0.996 1
2 1108 . 8 1 1 A 90 90 PRO HA H 85 4.373 4.367 0.006 1
2 1109 . 8 1 1 A 90 90 PRO CB C 85 31.692 32.020 -0.328 1
2 1117 . 8 1 1 A 90 90 PRO C C 85 176.407 176.381 0.026 1
2 1118 . 8 1 1 A 91 91 ASP N N 86 119.209 116.349 2.860 1
2 1119 . 8 1 1 A 91 91 ASP H H 86 8.429 8.192 0.237 1
2 1120 . 8 1 1 A 91 91 ASP CA C 86 53.752 55.398 -1.646 1
2 1121 . 8 1 1 A 91 91 ASP HA H 86 4.394 4.297 0.097 1
2 1122 . 8 1 1 A 91 91 ASP CB C 86 40.319 39.103 1.216 1
2 1125 . 8 1 1 A 91 91 ASP C C 86 176.101 175.975 0.126 1
2 1126 . 8 1 1 A 92 92 LEU N N 87 122.571 118.136 4.435 1
2 1127 . 8 1 1 A 92 92 LEU H H 87 8.208 8.083 0.125 1
2 1128 . 8 1 1 A 92 92 LEU CA C 87 55.286 55.731 -0.445 1
2 1129 . 8 1 1 A 92 92 LEU HA H 87 4.204 3.974 0.230 1
2 1130 . 8 1 1 A 92 92 LEU CB C 87 41.786 40.904 0.882 1
2 1143 . 8 1 1 A 92 92 LEU C C 87 177.406 175.715 1.691 1
2 1144 . 8 1 1 A 93 93 ALA N N 88 123.131 117.518 5.613 1
2 1145 . 8 1 1 A 93 93 ALA H H 88 8.305 8.228 0.077 1
2 1146 . 8 1 1 A 93 93 ALA CA C 88 52.876 53.097 -0.221 1
2 1147 . 8 1 1 A 93 93 ALA HA H 88 4.263 3.915 0.348 1
2 1151 . 8 1 1 A 93 93 ALA CB C 88 18.672 17.274 1.398 1
2 1152 . 8 1 1 A 93 93 ALA C C 88 178.033 176.606 1.427 1
2 1153 . 8 1 1 A 94 94 THR N N 89 112.097 102.157 9.940 1
2 1154 . 8 1 1 A 94 94 THR H H 89 7.994 8.069 -0.075 1
2 1155 . 8 1 1 A 94 94 THR CA C 89 61.640 61.734 -0.094 1
2 1156 . 8 1 1 A 94 94 THR HA H 89 4.251 4.045 0.206 1
2 1157 . 8 1 1 A 94 94 THR CB C 89 69.063 67.794 1.269 1
2 1163 . 8 1 1 A 94 94 THR C C 89 174.493 174.328 0.165 1
2 1164 . 8 1 1 A 95 95 ARG N N 90 122.704 126.422 -3.718 1
2 1165 . 8 1 1 A 95 95 ARG H H 90 8.211 8.775 -0.564 1
2 1166 . 8 1 1 A 95 95 ARG CA C 90 55.718 55.719 -0.001 1
2 1167 . 8 1 1 A 95 95 ARG HA H 90 4.324 4.557 -0.233 1
2 1168 . 8 1 1 A 95 95 ARG CB C 90 30.309 30.209 0.100 1
2 1179 . 8 1 1 A 95 95 ARG C C 90 175.927 176.756 -0.829 1
2 1180 . 8 1 1 A 96 96 SER N N 91 116.390 114.395 1.995 1
2 1181 . 8 1 1 A 96 96 SER H H 91 8.365 7.851 0.514 1
2 1182 . 8 1 1 A 96 96 SER CA C 91 57.823 57.958 -0.135 1
2 1183 . 8 1 1 A 96 96 SER HA H 91 4.356 4.515 -0.159 1
2 1184 . 8 1 1 A 96 96 SER CB C 91 63.214 62.875 0.339 1
2 1187 . 8 1 1 A 96 96 SER C C 91 174.011 174.612 -0.601 1
2 1188 . 8 1 1 A 97 97 HIS N N 92 120.507 120.232 0.275 1
2 1189 . 8 1 1 A 97 97 HIS H H 92 8.541 7.811 0.730 1
2 1190 . 8 1 1 A 97 97 HIS CA C 92 54.960 55.838 -0.878 1
2 1191 . 8 1 1 A 97 97 HIS HA H 92 4.704 4.822 -0.118 1
2 1192 . 8 1 1 A 97 97 HIS CB C 92 28.518 30.418 -1.900 1
2 1197 . 8 1 1 A 97 97 HIS C C 92 174.186 173.825 0.361 1
2 1198 . 8 1 1 A 98 98 SER N N 93 116.801 110.839 5.962 1
2 1199 . 8 1 1 A 98 98 SER H H 93 8.455 7.449 1.006 1
2 1200 . 8 1 1 A 98 98 SER CA C 93 57.880 57.539 0.341 1
2 1201 . 8 1 1 A 98 98 SER HA H 93 4.445 4.561 -0.116 1
2 1202 . 8 1 1 A 98 98 SER CB C 93 63.434 65.620 -2.186 1
2 1205 . 8 1 1 A 98 98 SER C C 93 174.508 174.580 -0.072 1
2 1206 . 8 1 1 A 99 99 GLY N N 94 111.114 110.459 0.655 1
2 1207 . 8 1 1 A 99 99 GLY H H 94 8.597 8.927 -0.330 1
2 1208 . 8 1 1 A 99 99 GLY CA C 94 44.888 47.476 -2.588 1
2 1209 . 8 1 1 A 99 99 GLY HA2 H 94 3.998 3.816 0.182 1
2 1210 . 8 1 1 A 99 99 GLY HA3 H 94 3.998 3.823 0.175 1
2 1211 . 8 1 1 A 99 99 GLY C C 94 173.856 175.176 -1.320 1
2 1212 . 8 1 1 A 100 100 SER N N 95 115.398 110.226 5.172 1
2 1213 . 8 1 1 A 100 100 SER H H 95 8.311 8.037 0.274 1
2 1214 . 8 1 1 A 100 100 SER CA C 95 57.888 60.324 -2.436 1
2 1215 . 8 1 1 A 100 100 SER HA H 95 4.408 4.314 0.094 1
2 1216 . 8 1 1 A 100 100 SER CB C 95 63.328 61.302 2.026 1
2 1219 . 8 1 1 A 100 100 SER C C 95 173.725 174.132 -0.407 1
2 1220 . 8 1 1 A 101 101 ASP N N 96 121.810 118.483 3.327 1
2 1221 . 8 1 1 A 101 101 ASP H H 96 8.380 8.390 -0.010 1
2 1222 . 8 1 1 A 101 101 ASP CA C 96 53.813 54.246 -0.433 1
2 1223 . 8 1 1 A 101 101 ASP HA H 96 4.536 4.923 -0.387 1
2 1224 . 8 1 1 A 101 101 ASP CB C 96 40.438 42.508 -2.070 1
2 1227 . 8 1 1 A 101 101 ASP C C 96 175.524 176.755 -1.231 1
2 1228 . 8 1 1 A 102 102 PHE N N 97 120.706 117.435 3.271 1
2 1229 . 8 1 1 A 102 102 PHE H H 97 8.249 8.056 0.193 1
2 1230 . 8 1 1 A 102 102 PHE CA C 97 57.323 57.926 -0.603 1
2 1231 . 8 1 1 A 102 102 PHE HA H 97 4.527 4.586 -0.059 1
2 1232 . 8 1 1 A 102 102 PHE CB C 97 38.989 39.271 -0.282 1
2 1238 . 8 1 1 A 102 102 PHE C C 97 175.246 175.786 -0.540 1
2 1239 . 8 1 1 A 103 103 SER N N 98 116.992 115.093 1.899 1
2 1240 . 8 1 1 A 103 103 SER H H 98 8.167 7.981 0.186 1
2 1241 . 8 1 1 A 103 103 SER CA C 98 57.883 57.592 0.291 1
2 1242 . 8 1 1 A 103 103 SER HA H 98 4.317 4.744 -0.427 1
2 1243 . 8 1 1 A 103 103 SER CB C 98 63.301 63.721 -0.420 1
2 1246 . 8 1 1 A 103 103 SER C C 98 173.244 173.110 0.134 1
2 1247 . 8 1 1 A 104 104 PHE N N 99 122.000 124.785 -2.785 1
2 1248 . 8 1 1 A 104 104 PHE H H 99 8.170 8.568 -0.398 1
2 1249 . 8 1 1 A 104 104 PHE CA C 99 57.236 56.282 0.954 1
2 1250 . 8 1 1 A 104 104 PHE HA H 99 4.529 4.658 -0.129 1
2 1251 . 8 1 1 A 104 104 PHE CB C 99 38.997 37.780 1.217 1
2 1257 . 8 1 1 A 104 104 PHE C C 99 174.632 174.785 -0.153 1
2 1258 . 8 1 1 A 105 105 ARG N N 100 124.796 122.820 1.976 1
2 1259 . 8 1 1 A 105 105 ARG H H 100 8.101 8.469 -0.368 1
2 1260 . 8 1 1 A 105 105 ARG CA C 100 52.969 55.127 -2.158 1
2 1261 . 8 1 1 A 105 105 ARG HA H 100 4.516 4.421 0.095 1
2 1262 . 8 1 1 A 105 105 ARG CB C 100 30.069 30.378 -0.309 1
2 1271 . 8 1 1 A 105 105 ARG C C 100 172.924 175.499 -2.575 1
2 1273 . 8 1 1 A 106 106 PRO CA C 101 62.673 62.330 0.343 1
2 1274 . 8 1 1 A 106 106 PRO HA H 101 4.351 4.550 -0.199 1
2 1275 . 8 1 1 A 106 106 PRO CB C 101 31.726 33.342 -1.616 1
2 1283 . 8 1 1 A 106 106 PRO C C 101 176.395 176.463 -0.068 1
2 1284 . 8 1 1 A 107 107 ILE N N 102 121.380 120.669 0.711 1
2 1285 . 8 1 1 A 107 107 ILE H H 102 8.350 8.640 -0.290 1
2 1286 . 8 1 1 A 107 107 ILE CA C 102 60.940 60.488 0.452 1
2 1287 . 8 1 1 A 107 107 ILE HA H 102 4.039 4.552 -0.513 1
2 1288 . 8 1 1 A 107 107 ILE CB C 102 38.204 38.456 -0.252 1
2 1301 . 8 1 1 A 107 107 ILE C C 102 175.990 175.578 0.412 1
2 1302 . 8 1 1 A 108 108 GLU N N 103 124.836 120.802 4.034 1
2 1303 . 8 1 1 A 108 108 GLU H H 103 8.578 8.088 0.490 1
2 1304 . 8 1 1 A 108 108 GLU CA C 103 55.883 57.365 -1.482 1
2 1305 . 8 1 1 A 108 108 GLU HA H 103 4.280 3.977 0.303 1
2 1306 . 8 1 1 A 108 108 GLU CB C 103 29.902 28.454 1.448 1
2 1312 . 8 1 1 A 108 108 GLU C C 103 175.670 175.412 0.258 1
2 1313 . 8 1 1 A 109 109 GLU N N 104 122.847 119.367 3.480 1
2 1314 . 8 1 1 A 109 109 GLU H H 104 8.459 8.354 0.105 1
2 1315 . 8 1 1 A 109 109 GLU CA C 104 55.902 55.498 0.404 1
2 1316 . 8 1 1 A 109 109 GLU HA H 104 4.267 4.495 -0.228 1
2 1317 . 8 1 1 A 109 109 GLU CB C 104 29.985 28.227 1.758 1
2 1322 . 8 1 1 A 109 109 GLU C C 104 174.661 175.141 -0.480 1
2 3 . 9 1 1 A 2 2 SER N N -4 115.528 115.438 0.090 1
2 4 . 9 1 1 A 2 2 SER H H -4 8.751 9.107 -0.356 1
2 5 . 9 1 1 A 2 2 SER CA C -4 57.687 59.073 -1.386 1
2 6 . 9 1 1 A 2 2 SER HA H -4 4.451 3.953 0.498 1
2 7 . 9 1 1 A 2 2 SER CB C -4 63.389 61.726 1.663 1
2 8 . 9 1 1 A 2 2 SER C C -4 173.913 173.647 0.266 1
2 9 . 9 1 1 A 3 3 HIS N N -3 120.998 110.449 10.549 1
2 10 . 9 1 1 A 3 3 HIS H H -3 8.769 8.140 0.629 1
2 11 . 9 1 1 A 3 3 HIS CA C -3 55.010 56.811 -1.801 1
2 12 . 9 1 1 A 3 3 HIS HA H -3 4.707 4.186 0.521 1
2 13 . 9 1 1 A 3 3 HIS CB C -3 28.916 26.866 2.050 1
2 16 . 9 1 1 A 3 3 HIS C C -3 174.207 173.938 0.269 1
2 17 . 9 1 1 A 4 4 MET N N -2 122.227 116.735 5.492 1
2 18 . 9 1 1 A 4 4 MET H H -2 8.518 7.517 1.001 1
2 19 . 9 1 1 A 4 4 MET CA C -2 55.014 54.718 0.296 1
2 20 . 9 1 1 A 4 4 MET HA H -2 4.418 4.726 -0.308 1
2 21 . 9 1 1 A 4 4 MET CB C -2 32.678 33.270 -0.592 1
2 31 . 9 1 1 A 4 4 MET C C -2 175.481 174.462 1.019 1
2 49 . 9 1 1 A 7 7 ALA N N 2 124.549 123.634 0.915 1
2 50 . 9 1 1 A 7 7 ALA H H 2 8.453 8.163 0.290 1
2 51 . 9 1 1 A 7 7 ALA CA C 2 53.221 54.521 -1.300 1
2 52 . 9 1 1 A 7 7 ALA HA H 2 4.194 4.063 0.131 1
2 56 . 9 1 1 A 7 7 ALA CB C 2 18.431 18.127 0.304 1
2 57 . 9 1 1 A 7 7 ALA C C 2 178.162 179.332 -1.170 1
2 58 . 9 1 1 A 8 8 ASP N N 3 118.618 118.627 -0.009 1
2 59 . 9 1 1 A 8 8 ASP H H 3 8.064 7.826 0.238 1
2 60 . 9 1 1 A 8 8 ASP CA C 3 54.124 56.632 -2.508 1
2 61 . 9 1 1 A 8 8 ASP HA H 3 4.539 4.346 0.193 1
2 62 . 9 1 1 A 8 8 ASP CB C 3 40.341 40.843 -0.502 1
2 65 . 9 1 1 A 8 8 ASP C C 3 176.694 178.293 -1.599 1
2 66 . 9 1 1 A 9 9 LEU N N 4 123.427 120.437 2.990 1
2 67 . 9 1 1 A 9 9 LEU H H 4 8.202 7.948 0.254 1
2 68 . 9 1 1 A 9 9 LEU CA C 4 57.495 57.891 -0.396 1
2 69 . 9 1 1 A 9 9 LEU HA H 4 4.086 3.987 0.099 1
2 70 . 9 1 1 A 9 9 LEU CB C 4 41.905 41.589 0.316 1
2 82 . 9 1 1 A 9 9 LEU C C 4 178.839 178.728 0.111 1
2 83 . 9 1 1 A 10 10 VAL N N 5 119.385 119.200 0.185 1
2 84 . 9 1 1 A 10 10 VAL H H 5 8.186 8.209 -0.023 1
2 85 . 9 1 1 A 10 10 VAL CA C 5 66.585 66.634 -0.049 1
2 86 . 9 1 1 A 10 10 VAL HA H 5 3.420 3.460 -0.040 1
2 87 . 9 1 1 A 10 10 VAL CB C 5 31.177 31.569 -0.392 1
2 97 . 9 1 1 A 10 10 VAL C C 5 177.439 178.160 -0.721 1
2 98 . 9 1 1 A 11 11 SER N N 6 115.027 115.295 -0.268 1
2 99 . 9 1 1 A 11 11 SER H H 6 8.252 8.029 0.223 1
2 100 . 9 1 1 A 11 11 SER CA C 6 61.152 61.613 -0.461 1
2 101 . 9 1 1 A 11 11 SER HA H 6 4.055 4.011 0.044 1
2 102 . 9 1 1 A 11 11 SER CB C 6 62.161 62.820 -0.659 1
2 105 . 9 1 1 A 11 11 SER C C 6 176.036 177.239 -1.203 1
2 106 . 9 1 1 A 12 12 SER N N 7 115.144 115.192 -0.048 1
2 107 . 9 1 1 A 12 12 SER H H 7 8.053 7.927 0.126 1
2 108 . 9 1 1 A 12 12 SER CA C 7 60.168 61.636 -1.468 1
2 109 . 9 1 1 A 12 12 SER HA H 7 4.284 4.076 0.208 1
2 110 . 9 1 1 A 12 12 SER CB C 7 62.706 62.771 -0.065 1
2 113 . 9 1 1 A 12 12 SER C C 7 176.540 177.204 -0.664 1
2 114 . 9 1 1 A 13 13 CYS N N 8 118.211 119.055 -0.844 1
2 115 . 9 1 1 A 13 13 CYS H H 8 7.919 8.274 -0.355 1
2 116 . 9 1 1 A 13 13 CYS CA C 8 63.651 63.937 -0.286 1
2 117 . 9 1 1 A 13 13 CYS HA H 8 4.026 4.031 -0.005 1
2 118 . 9 1 1 A 13 13 CYS CB C 8 26.641 27.057 -0.416 1
2 121 . 9 1 1 A 13 13 CYS C C 8 175.645 176.849 -1.204 1
2 122 . 9 1 1 A 14 14 LYS N N 9 120.074 121.558 -1.484 1
2 123 . 9 1 1 A 14 14 LYS H H 9 8.632 8.072 0.560 1
2 124 . 9 1 1 A 14 14 LYS CA C 9 60.441 59.656 0.785 1
2 125 . 9 1 1 A 14 14 LYS HA H 9 3.672 3.960 -0.288 1
2 126 . 9 1 1 A 14 14 LYS CB C 9 31.685 32.028 -0.343 1
2 138 . 9 1 1 A 14 14 LYS C C 9 177.615 177.854 -0.239 1
2 139 . 9 1 1 A 15 15 ASP N N 10 117.613 119.480 -1.867 1
2 140 . 9 1 1 A 15 15 ASP H H 10 7.732 8.135 -0.403 1
2 141 . 9 1 1 A 15 15 ASP CA C 10 56.175 57.386 -1.211 1
2 142 . 9 1 1 A 15 15 ASP HA H 10 4.307 4.275 0.032 1
2 143 . 9 1 1 A 15 15 ASP CB C 10 40.056 41.726 -1.670 1
2 146 . 9 1 1 A 15 15 ASP C C 10 177.650 178.453 -0.803 1
2 147 . 9 1 1 A 16 16 LYS N N 11 117.878 119.977 -2.099 1
2 148 . 9 1 1 A 16 16 LYS H H 11 7.254 7.760 -0.506 1
2 149 . 9 1 1 A 16 16 LYS CA C 11 58.962 59.572 -0.610 1
2 150 . 9 1 1 A 16 16 LYS HA H 11 3.645 4.076 -0.431 1
2 151 . 9 1 1 A 16 16 LYS CB C 11 32.951 31.739 1.212 1
2 160 . 9 1 1 A 16 16 LYS C C 11 177.263 178.325 -1.062 1
2 161 . 9 1 1 A 17 17 LEU N N 12 115.652 120.476 -4.824 1
2 162 . 9 1 1 A 17 17 LEU H H 12 8.138 8.305 -0.167 1
2 163 . 9 1 1 A 17 17 LEU CA C 12 56.726 57.913 -1.187 1
2 164 . 9 1 1 A 17 17 LEU HA H 12 3.579 3.946 -0.367 1
2 165 . 9 1 1 A 17 17 LEU CB C 12 41.959 41.336 0.623 1
2 176 . 9 1 1 A 17 17 LEU C C 12 177.485 178.372 -0.887 1
2 177 . 9 1 1 A 18 18 ALA N N 13 116.044 120.578 -4.534 1
2 178 . 9 1 1 A 18 18 ALA H H 13 7.080 8.542 -1.462 1
2 179 . 9 1 1 A 18 18 ALA CA C 13 53.389 54.421 -1.032 1
2 180 . 9 1 1 A 18 18 ALA HA H 13 3.963 4.161 -0.198 1
2 184 . 9 1 1 A 18 18 ALA CB C 13 18.161 18.924 -0.763 1
2 185 . 9 1 1 A 18 18 ALA C C 13 178.207 179.924 -1.717 1
2 186 . 9 1 1 A 19 19 TYR N N 14 115.556 119.259 -3.703 1
2 187 . 9 1 1 A 19 19 TYR H H 14 7.675 7.716 -0.041 1
2 188 . 9 1 1 A 19 19 TYR CA C 14 58.647 59.886 -1.239 1
2 189 . 9 1 1 A 19 19 TYR HA H 14 4.304 4.329 -0.025 1
2 190 . 9 1 1 A 19 19 TYR CB C 14 38.609 39.376 -0.767 1
2 199 . 9 1 1 A 19 19 TYR C C 14 175.911 175.988 -0.077 1
2 200 . 9 1 1 A 20 20 PHE N N 15 118.275 119.507 -1.232 1
2 201 . 9 1 1 A 20 20 PHE H H 15 7.406 7.886 -0.480 1
2 202 . 9 1 1 A 20 20 PHE CA C 15 56.615 56.833 -0.218 1
2 203 . 9 1 1 A 20 20 PHE HA H 15 4.649 4.789 -0.140 1
2 204 . 9 1 1 A 20 20 PHE CB C 15 38.750 40.744 -1.994 1
2 215 . 9 1 1 A 20 20 PHE C C 15 176.160 175.923 0.237 1
2 216 . 9 1 1 A 21 21 ARG N N 16 119.140 124.075 -4.935 1
2 217 . 9 1 1 A 21 21 ARG H H 16 8.714 8.213 0.501 1
2 218 . 9 1 1 A 21 21 ARG CA C 16 54.349 56.096 -1.747 1
2 219 . 9 1 1 A 21 21 ARG HA H 16 4.751 4.209 0.542 1
2 220 . 9 1 1 A 21 21 ARG CB C 16 30.097 31.647 -1.550 1
2 236 . 9 1 1 A 21 21 ARG C C 16 177.095 177.776 -0.681 1
2 237 . 9 1 1 A 22 22 ILE N N 17 120.734 124.939 -4.205 1
2 238 . 9 1 1 A 22 22 ILE H H 17 8.708 8.802 -0.094 1
2 239 . 9 1 1 A 22 22 ILE CA C 17 65.145 64.634 0.511 1
2 240 . 9 1 1 A 22 22 ILE HA H 17 3.720 3.730 -0.010 1
2 241 . 9 1 1 A 22 22 ILE CB C 17 36.857 37.656 -0.799 1
2 254 . 9 1 1 A 22 22 ILE C C 17 176.745 178.046 -1.301 1
2 255 . 9 1 1 A 23 23 LYS N N 18 118.184 121.669 -3.485 1
2 256 . 9 1 1 A 23 23 LYS H H 18 8.267 8.311 -0.044 1
2 257 . 9 1 1 A 23 23 LYS CA C 18 59.829 59.995 -0.166 1
2 258 . 9 1 1 A 23 23 LYS HA H 18 3.897 3.893 0.004 1
2 259 . 9 1 1 A 23 23 LYS CB C 18 32.268 32.440 -0.172 1
2 271 . 9 1 1 A 23 23 LYS C C 18 178.159 179.165 -1.006 1
2 272 . 9 1 1 A 24 24 GLU N N 19 117.654 119.470 -1.816 1
2 273 . 9 1 1 A 24 24 GLU H H 19 7.198 8.091 -0.893 1
2 274 . 9 1 1 A 24 24 GLU CA C 19 60.612 58.982 1.630 1
2 275 . 9 1 1 A 24 24 GLU HA H 19 4.030 4.085 -0.055 1
2 276 . 9 1 1 A 24 24 GLU CB C 19 28.859 29.402 -0.543 1
2 282 . 9 1 1 A 24 24 GLU C C 19 178.521 179.449 -0.928 1
2 283 . 9 1 1 A 25 25 LEU N N 20 119.236 120.036 -0.800 1
2 284 . 9 1 1 A 25 25 LEU H H 20 7.980 8.308 -0.328 1
2 285 . 9 1 1 A 25 25 LEU CA C 20 57.676 58.004 -0.328 1
2 286 . 9 1 1 A 25 25 LEU HA H 20 3.904 3.994 -0.090 1
2 287 . 9 1 1 A 25 25 LEU CB C 20 42.218 40.917 1.301 1
2 294 . 9 1 1 A 25 25 LEU C C 20 177.990 179.417 -1.427 1
2 295 . 9 1 1 A 26 26 LYS N N 21 117.457 121.219 -3.762 1
2 296 . 9 1 1 A 26 26 LYS H H 21 8.770 8.429 0.341 1
2 297 . 9 1 1 A 26 26 LYS CA C 21 60.660 59.541 1.119 1
2 298 . 9 1 1 A 26 26 LYS HA H 21 3.787 3.922 -0.135 1
2 299 . 9 1 1 A 26 26 LYS CB C 21 31.876 31.947 -0.071 1
2 300 . 9 1 1 A 26 26 LYS C C 21 177.625 178.289 -0.664 1
2 301 . 9 1 1 A 27 27 ASP N N 22 119.023 119.606 -0.583 1
2 302 . 9 1 1 A 27 27 ASP H H 22 7.671 8.202 -0.531 1
2 303 . 9 1 1 A 27 27 ASP CA C 22 56.974 57.709 -0.735 1
2 304 . 9 1 1 A 27 27 ASP HA H 22 4.392 4.401 -0.009 1
2 305 . 9 1 1 A 27 27 ASP CB C 22 40.250 41.685 -1.435 1
2 308 . 9 1 1 A 27 27 ASP C C 22 180.796 178.733 2.063 1
2 309 . 9 1 1 A 28 28 ILE N N 23 119.318 119.855 -0.537 1
2 310 . 9 1 1 A 28 28 ILE H H 23 8.039 7.788 0.251 1
2 311 . 9 1 1 A 28 28 ILE CA C 23 65.365 65.495 -0.130 1
2 312 . 9 1 1 A 28 28 ILE HA H 23 3.587 3.678 -0.091 1
2 313 . 9 1 1 A 28 28 ILE CB C 23 37.408 37.977 -0.569 1
2 326 . 9 1 1 A 28 28 ILE C C 23 177.265 178.342 -1.077 1
2 327 . 9 1 1 A 29 29 LEU N N 24 120.356 121.322 -0.966 1
2 328 . 9 1 1 A 29 29 LEU H H 24 8.220 8.190 0.030 1
2 329 . 9 1 1 A 29 29 LEU CA C 24 58.562 58.268 0.294 1
2 330 . 9 1 1 A 29 29 LEU HA H 24 3.806 3.996 -0.190 1
2 331 . 9 1 1 A 29 29 LEU CB C 24 39.477 41.420 -1.943 1
2 339 . 9 1 1 A 29 29 LEU C C 24 178.572 178.305 0.267 1
2 340 . 9 1 1 A 30 30 ASN N N 25 117.446 117.045 0.401 1
2 341 . 9 1 1 A 30 30 ASN H H 25 8.688 8.304 0.384 1
2 342 . 9 1 1 A 30 30 ASN CA C 25 56.092 56.626 -0.534 1
2 343 . 9 1 1 A 30 30 ASN HA H 25 4.493 4.396 0.097 1
2 344 . 9 1 1 A 30 30 ASN CB C 25 38.809 39.006 -0.197 1
2 351 . 9 1 1 A 30 30 ASN C C 25 178.884 178.241 0.643 1
2 352 . 9 1 1 A 31 31 GLN N N 26 119.946 118.235 1.711 1
2 353 . 9 1 1 A 31 31 GLN H H 26 8.184 7.991 0.193 1
2 354 . 9 1 1 A 31 31 GLN CA C 26 58.786 58.688 0.098 1
2 355 . 9 1 1 A 31 31 GLN HA H 26 4.041 4.052 -0.011 1
2 356 . 9 1 1 A 31 31 GLN CB C 26 29.089 28.346 0.743 1
2 366 . 9 1 1 A 31 31 GLN C C 26 177.656 179.194 -1.538 1
2 367 . 9 1 1 A 32 32 LEU N N 27 116.979 117.989 -1.010 1
2 368 . 9 1 1 A 32 32 LEU H H 27 7.893 7.662 0.231 1
2 369 . 9 1 1 A 32 32 LEU CA C 27 54.545 55.918 -1.373 1
2 370 . 9 1 1 A 32 32 LEU HA H 27 4.227 4.170 0.057 1
2 371 . 9 1 1 A 32 32 LEU CB C 27 42.063 42.515 -0.452 1
2 382 . 9 1 1 A 32 32 LEU C C 27 175.733 177.001 -1.268 1
2 383 . 9 1 1 A 33 33 GLY N N 28 108.299 106.817 1.482 1
2 384 . 9 1 1 A 33 33 GLY H H 28 7.834 8.505 -0.671 1
2 385 . 9 1 1 A 33 33 GLY CA C 28 45.707 46.091 -0.384 1
2 386 . 9 1 1 A 33 33 GLY HA2 H 28 3.952 3.945 0.007 1
2 387 . 9 1 1 A 33 33 GLY HA3 H 28 3.952 3.946 0.006 1
2 388 . 9 1 1 A 33 33 GLY C C 28 174.317 174.862 -0.545 1
2 389 . 9 1 1 A 34 34 LEU N N 29 120.833 115.621 5.212 1
2 390 . 9 1 1 A 34 34 LEU H H 29 7.986 7.155 0.831 1
2 391 . 9 1 1 A 34 34 LEU CA C 29 51.558 51.815 -0.257 1
2 392 . 9 1 1 A 34 34 LEU HA H 29 4.744 4.746 -0.002 1
2 393 . 9 1 1 A 34 34 LEU CB C 29 43.525 42.046 1.479 1
2 405 . 9 1 1 A 35 35 PRO CA C 30 62.707 62.445 0.262 1
2 406 . 9 1 1 A 35 35 PRO HA H 30 4.351 4.637 -0.286 1
2 407 . 9 1 1 A 35 35 PRO CB C 30 31.919 29.441 2.478 1
2 415 . 9 1 1 A 35 35 PRO C C 30 177.488 175.524 1.964 1
2 416 . 9 1 1 A 36 36 LYS N N 31 117.590 123.956 -6.366 1
2 417 . 9 1 1 A 36 36 LYS H H 31 8.380 8.300 0.080 1
2 418 . 9 1 1 A 36 36 LYS CA C 31 55.660 55.674 -0.014 1
2 419 . 9 1 1 A 36 36 LYS HA H 31 4.286 4.533 -0.247 1
2 420 . 9 1 1 A 36 36 LYS CB C 31 33.239 32.615 0.624 1
2 430 . 9 1 1 A 36 36 LYS C C 31 174.384 174.908 -0.524 1
2 431 . 9 1 1 A 37 37 GLN N N 32 118.260 121.779 -3.519 1
2 432 . 9 1 1 A 37 37 GLN H H 32 7.698 8.287 -0.589 1
2 433 . 9 1 1 A 37 37 GLN CA C 32 55.550 53.747 1.803 1
2 434 . 9 1 1 A 37 37 GLN HA H 32 4.376 4.674 -0.298 1
2 435 . 9 1 1 A 37 37 GLN CB C 32 28.221 31.353 -3.132 1
2 445 . 9 1 1 A 37 37 GLN C C 32 175.222 175.611 -0.389 1
2 446 . 9 1 1 A 38 38 GLY N N 33 109.855 107.661 2.194 1
2 447 . 9 1 1 A 38 38 GLY H H 33 8.449 8.332 0.117 1
2 448 . 9 1 1 A 38 38 GLY CA C 33 43.235 44.553 -1.318 1
2 449 . 9 1 1 A 38 38 GLY HA2 H 33 4.566 4.099 0.467 1
2 450 . 9 1 1 A 38 38 GLY HA3 H 33 3.789 4.099 -0.310 1
2 451 . 9 1 1 A 38 38 GLY C C 33 173.603 173.176 0.427 1
2 452 . 9 1 1 A 39 39 LYS N N 34 117.627 120.042 -2.415 1
2 453 . 9 1 1 A 39 39 LYS H H 34 8.649 8.279 0.370 1
2 454 . 9 1 1 A 39 39 LYS CA C 34 54.563 54.201 0.362 1
2 455 . 9 1 1 A 39 39 LYS HA H 34 4.394 4.578 -0.184 1
2 456 . 9 1 1 A 39 39 LYS CB C 34 32.892 33.618 -0.726 1
2 468 . 9 1 1 A 39 39 LYS C C 34 176.803 178.225 -1.422 1
2 469 . 9 1 1 A 40 40 LYS N N 35 121.705 118.899 2.806 1
2 470 . 9 1 1 A 40 40 LYS H H 35 8.920 8.621 0.299 1
2 471 . 9 1 1 A 40 40 LYS CA C 35 61.559 59.270 2.289 1
2 472 . 9 1 1 A 40 40 LYS HA H 35 3.597 3.945 -0.348 1
2 473 . 9 1 1 A 40 40 LYS CB C 35 31.953 32.263 -0.310 1
2 485 . 9 1 1 A 40 40 LYS C C 35 177.362 178.466 -1.104 1
2 486 . 9 1 1 A 41 41 GLN N N 36 114.637 118.474 -3.837 1
2 487 . 9 1 1 A 41 41 GLN H H 36 9.017 7.897 1.120 1
2 488 . 9 1 1 A 41 41 GLN CA C 36 57.638 58.733 -1.095 1
2 489 . 9 1 1 A 41 41 GLN HA H 36 3.719 4.013 -0.294 1
2 490 . 9 1 1 A 41 41 GLN CB C 36 27.865 28.242 -0.377 1
2 500 . 9 1 1 A 41 41 GLN C C 36 176.975 178.628 -1.653 1
2 501 . 9 1 1 A 42 42 ASP N N 37 115.984 120.247 -4.263 1
2 502 . 9 1 1 A 42 42 ASP H H 37 7.049 7.877 -0.828 1
2 503 . 9 1 1 A 42 42 ASP CA C 37 56.424 57.341 -0.917 1
2 504 . 9 1 1 A 42 42 ASP HA H 37 4.303 4.425 -0.122 1
2 505 . 9 1 1 A 42 42 ASP CB C 37 39.955 40.968 -1.013 1
2 508 . 9 1 1 A 42 42 ASP C C 37 178.454 178.777 -0.323 1
2 509 . 9 1 1 A 43 43 LEU N N 38 119.074 120.534 -1.460 1
2 510 . 9 1 1 A 43 43 LEU H H 38 7.725 8.066 -0.341 1
2 511 . 9 1 1 A 43 43 LEU CA C 38 57.716 58.029 -0.313 1
2 512 . 9 1 1 A 43 43 LEU HA H 38 3.794 3.978 -0.184 1
2 513 . 9 1 1 A 43 43 LEU CB C 38 40.211 42.201 -1.990 1
2 526 . 9 1 1 A 43 43 LEU C C 38 177.872 179.009 -1.137 1
2 527 . 9 1 1 A 44 44 ILE N N 39 118.343 118.382 -0.039 1
2 528 . 9 1 1 A 44 44 ILE H H 39 7.867 8.130 -0.263 1
2 529 . 9 1 1 A 44 44 ILE CA C 39 66.211 65.645 0.566 1
2 530 . 9 1 1 A 44 44 ILE HA H 39 3.319 3.494 -0.175 1
2 531 . 9 1 1 A 44 44 ILE CB C 39 37.985 37.792 0.193 1
2 541 . 9 1 1 A 44 44 ILE C C 39 177.711 177.805 -0.094 1
2 542 . 9 1 1 A 45 45 ASP N N 40 118.535 120.475 -1.940 1
2 543 . 9 1 1 A 45 45 ASP H H 40 8.503 8.241 0.262 1
2 544 . 9 1 1 A 45 45 ASP CA C 40 56.817 57.220 -0.403 1
2 545 . 9 1 1 A 45 45 ASP HA H 40 4.256 4.457 -0.201 1
2 546 . 9 1 1 A 45 45 ASP CB C 40 39.815 41.687 -1.872 1
2 549 . 9 1 1 A 45 45 ASP C C 40 178.464 178.659 -0.195 1
2 550 . 9 1 1 A 46 46 ARG N N 41 120.910 119.770 1.140 1
2 551 . 9 1 1 A 46 46 ARG H H 41 7.717 7.886 -0.169 1
2 552 . 9 1 1 A 46 46 ARG CA C 41 59.054 59.780 -0.726 1
2 553 . 9 1 1 A 46 46 ARG HA H 41 3.993 4.031 -0.038 1
2 554 . 9 1 1 A 46 46 ARG CB C 41 29.778 30.571 -0.793 1
2 563 . 9 1 1 A 46 46 ARG C C 41 177.565 178.555 -0.990 1
2 564 . 9 1 1 A 47 47 VAL N N 42 117.438 119.373 -1.935 1
2 565 . 9 1 1 A 47 47 VAL H H 42 7.445 7.881 -0.436 1
2 566 . 9 1 1 A 47 47 VAL CA C 42 66.095 66.372 -0.277 1
2 567 . 9 1 1 A 47 47 VAL HA H 42 3.446 3.679 -0.233 1
2 568 . 9 1 1 A 47 47 VAL CB C 42 31.113 31.780 -0.667 1
2 578 . 9 1 1 A 47 47 VAL C C 42 177.710 178.316 -0.606 1
2 579 . 9 1 1 A 48 48 LEU N N 43 117.085 117.683 -0.598 1
2 580 . 9 1 1 A 48 48 LEU H H 43 8.466 8.068 0.398 1
2 581 . 9 1 1 A 48 48 LEU CA C 43 57.406 57.755 -0.349 1
2 582 . 9 1 1 A 48 48 LEU HA H 43 3.851 3.959 -0.108 1
2 583 . 9 1 1 A 48 48 LEU CB C 43 40.779 41.003 -0.224 1
2 596 . 9 1 1 A 48 48 LEU C C 43 179.581 179.653 -0.072 1
2 597 . 9 1 1 A 49 49 ALA N N 44 120.480 121.825 -1.345 1
2 598 . 9 1 1 A 49 49 ALA H H 44 7.952 8.009 -0.057 1
2 599 . 9 1 1 A 49 49 ALA CA C 44 53.998 54.636 -0.638 1
2 600 . 9 1 1 A 49 49 ALA HA H 44 4.104 4.117 -0.013 1
2 604 . 9 1 1 A 49 49 ALA CB C 44 17.685 18.149 -0.464 1
2 605 . 9 1 1 A 49 49 ALA C C 44 178.926 179.548 -0.622 1
2 606 . 9 1 1 A 50 50 LEU N N 45 115.306 120.277 -4.971 1
2 607 . 9 1 1 A 50 50 LEU H H 45 7.428 7.729 -0.301 1
2 608 . 9 1 1 A 50 50 LEU CA C 45 55.650 57.676 -2.026 1
2 609 . 9 1 1 A 50 50 LEU HA H 45 4.206 4.122 0.084 1
2 610 . 9 1 1 A 50 50 LEU CB C 45 41.937 41.896 0.041 1
2 623 . 9 1 1 A 50 50 LEU C C 45 177.840 178.782 -0.942 1
2 624 . 9 1 1 A 51 51 LEU N N 46 115.880 118.663 -2.783 1
2 625 . 9 1 1 A 51 51 LEU H H 46 7.642 7.832 -0.190 1
2 626 . 9 1 1 A 51 51 LEU CA C 46 54.861 56.093 -1.232 1
2 627 . 9 1 1 A 51 51 LEU HA H 46 4.260 4.211 0.049 1
2 628 . 9 1 1 A 51 51 LEU CB C 46 42.228 41.765 0.463 1
2 638 . 9 1 1 A 51 51 LEU C C 46 176.015 177.281 -1.266 1
2 639 . 9 1 1 A 52 52 THR N N 47 109.201 112.565 -3.364 1
2 640 . 9 1 1 A 52 52 THR H H 47 7.515 7.480 0.035 1
2 641 . 9 1 1 A 52 52 THR CA C 47 60.972 64.326 -3.354 1
2 642 . 9 1 1 A 52 52 THR HA H 47 4.345 4.346 -0.001 1
2 643 . 9 1 1 A 52 52 THR CB C 47 69.620 69.495 0.125 1
2 649 . 9 1 1 A 52 52 THR C C 47 173.733 175.271 -1.538 1
2 650 . 9 1 1 A 53 53 ASP N N 48 122.188 118.819 3.369 1
2 651 . 9 1 1 A 53 53 ASP H H 48 8.280 8.222 0.058 1
2 652 . 9 1 1 A 53 53 ASP CA C 48 54.205 56.273 -2.068 1
2 653 . 9 1 1 A 53 53 ASP HA H 48 4.686 4.533 0.153 1
2 654 . 9 1 1 A 53 53 ASP CB C 48 40.766 40.434 0.332 1
2 658 . 9 1 1 A 53 53 ASP C C 48 176.000 176.717 -0.717 1
2 659 . 9 1 1 A 54 54 GLU N N 49 121.966 118.448 3.518 1
2 660 . 9 1 1 A 54 54 GLU H H 49 8.589 7.815 0.774 1
2 661 . 9 1 1 A 54 54 GLU CA C 49 56.448 55.703 0.745 1
2 662 . 9 1 1 A 54 54 GLU HA H 49 4.234 4.648 -0.414 1
2 663 . 9 1 1 A 54 54 GLU CB C 49 29.642 30.652 -1.010 1
2 669 . 9 1 1 A 54 54 GLU C C 49 176.522 176.677 -0.155 1
2 670 . 9 1 1 A 55 55 GLN N N 50 120.727 119.491 1.236 1
2 671 . 9 1 1 A 55 55 GLN H H 50 8.642 7.806 0.836 1
2 672 . 9 1 1 A 55 55 GLN CA C 50 56.251 57.203 -0.952 1
2 673 . 9 1 1 A 55 55 GLN HA H 50 4.217 4.143 0.074 1
2 674 . 9 1 1 A 55 55 GLN CB C 50 28.555 27.394 1.161 1
2 684 . 9 1 1 A 55 55 GLN C C 50 176.519 176.752 -0.233 1
2 685 . 9 1 1 A 56 56 GLY N N 51 109.357 109.680 -0.323 1
2 686 . 9 1 1 A 56 56 GLY H H 51 8.519 8.359 0.160 1
2 687 . 9 1 1 A 56 56 GLY CA C 51 45.276 46.288 -1.012 1
2 688 . 9 1 1 A 56 56 GLY HA2 H 51 3.950 3.994 -0.044 1
2 689 . 9 1 1 A 56 56 GLY HA3 H 51 3.809 4.000 -0.191 1
2 690 . 9 1 1 A 56 56 GLY C C 51 174.146 174.812 -0.666 1
2 691 . 9 1 1 A 57 57 GLN N N 52 119.207 118.343 0.864 1
2 692 . 9 1 1 A 57 57 GLN H H 52 8.263 7.499 0.764 1
2 693 . 9 1 1 A 57 57 GLN CA C 52 55.572 55.207 0.365 1
2 694 . 9 1 1 A 57 57 GLN HA H 52 4.203 4.689 -0.486 1
2 695 . 9 1 1 A 57 57 GLN CB C 52 28.656 26.841 1.815 1
2 705 . 9 1 1 A 57 57 GLN C C 52 175.872 176.126 -0.254 1
2 706 . 9 1 1 A 58 58 ARG N N 53 120.525 121.306 -0.781 1
2 707 . 9 1 1 A 58 58 ARG H H 53 8.279 8.377 -0.098 1
2 708 . 9 1 1 A 58 58 ARG CA C 53 55.883 55.900 -0.017 1
2 709 . 9 1 1 A 58 58 ARG HA H 53 4.176 4.538 -0.362 1
2 710 . 9 1 1 A 58 58 ARG CB C 53 30.031 31.675 -1.644 1
2 721 . 9 1 1 A 58 58 ARG C C 53 175.820 177.868 -2.048 1
2 722 . 9 1 1 A 59 59 HIS N N 54 118.905 116.650 2.255 1
2 723 . 9 1 1 A 59 59 HIS H H 54 8.398 8.137 0.261 1
2 724 . 9 1 1 A 59 59 HIS CA C 54 54.908 59.277 -4.369 1
2 725 . 9 1 1 A 59 59 HIS HA H 54 4.548 4.624 -0.076 1
2 726 . 9 1 1 A 59 59 HIS CB C 54 28.953 30.695 -1.742 1
2 729 . 9 1 1 A 59 59 HIS C C 54 174.136 175.654 -1.518 1
2 730 . 9 1 1 A 60 60 HIS N N 55 119.527 112.065 7.462 1
2 731 . 9 1 1 A 60 60 HIS H H 55 8.493 7.855 0.638 1
2 732 . 9 1 1 A 60 60 HIS CA C 55 55.274 54.215 1.059 1
2 733 . 9 1 1 A 60 60 HIS HA H 55 4.552 4.351 0.201 1
2 734 . 9 1 1 A 60 60 HIS CB C 55 28.913 31.564 -2.651 1
2 737 . 9 1 1 A 60 60 HIS C C 55 174.595 173.535 1.060 1
2 738 . 9 1 1 A 61 61 GLY N N 56 110.215 108.010 2.205 1
2 739 . 9 1 1 A 61 61 GLY H H 56 8.604 7.667 0.937 1
2 740 . 9 1 1 A 61 61 GLY CA C 56 44.977 45.510 -0.533 1
2 741 . 9 1 1 A 61 61 GLY HA2 H 56 3.956 3.702 0.254 1
2 742 . 9 1 1 A 61 61 GLY HA3 H 56 3.831 3.722 0.109 1
2 743 . 9 1 1 A 61 61 GLY C C 56 173.752 174.478 -0.726 1
2 744 . 9 1 1 A 62 62 TRP N N 57 120.700 118.026 2.674 1
2 745 . 9 1 1 A 62 62 TRP H H 57 8.175 7.446 0.729 1
2 746 . 9 1 1 A 62 62 TRP CA C 57 56.929 58.376 -1.447 1
2 747 . 9 1 1 A 62 62 TRP HA H 57 4.663 4.786 -0.123 1
2 748 . 9 1 1 A 62 62 TRP CB C 57 29.142 31.179 -2.037 1
2 763 . 9 1 1 A 62 62 TRP C C 57 176.442 177.117 -0.675 1
2 764 . 9 1 1 A 63 63 GLY N N 58 110.195 108.317 1.878 1
2 765 . 9 1 1 A 63 63 GLY H H 58 8.452 8.266 0.186 1
2 766 . 9 1 1 A 63 63 GLY CA C 58 45.052 45.535 -0.483 1
2 767 . 9 1 1 A 63 63 GLY HA2 H 58 3.925 4.120 -0.195 1
2 768 . 9 1 1 A 63 63 GLY HA3 H 58 3.833 4.131 -0.298 1
2 769 . 9 1 1 A 63 63 GLY C C 58 173.738 175.089 -1.351 1
2 770 . 9 1 1 A 64 64 ARG N N 59 120.374 119.045 1.329 1
2 771 . 9 1 1 A 64 64 ARG H H 59 8.136 8.549 -0.413 1
2 772 . 9 1 1 A 64 64 ARG CA C 59 55.799 57.471 -1.672 1
2 773 . 9 1 1 A 64 64 ARG HA H 59 4.287 4.136 0.151 1
2 774 . 9 1 1 A 64 64 ARG CB C 59 30.371 28.255 2.116 1
2 785 . 9 1 1 A 64 64 ARG C C 59 176.287 175.373 0.914 1
2 786 . 9 1 1 A 65 65 LYS N N 60 121.593 119.643 1.950 1
2 787 . 9 1 1 A 65 65 LYS H H 60 8.483 8.048 0.435 1
2 788 . 9 1 1 A 65 65 LYS CA C 60 56.353 56.019 0.334 1
2 789 . 9 1 1 A 65 65 LYS HA H 60 4.218 4.494 -0.276 1
2 790 . 9 1 1 A 65 65 LYS CB C 60 32.260 33.279 -1.019 1
2 796 . 9 1 1 A 65 65 LYS C C 60 176.102 175.822 0.280 1
2 797 . 9 1 1 A 66 66 ASN N N 61 118.654 119.489 -0.835 1
2 798 . 9 1 1 A 66 66 ASN H H 61 8.413 8.148 0.265 1
2 799 . 9 1 1 A 66 66 ASN CA C 61 53.055 52.772 0.283 1
2 800 . 9 1 1 A 66 66 ASN HA H 61 4.639 4.671 -0.032 1
2 801 . 9 1 1 A 66 66 ASN CB C 61 38.385 38.274 0.111 1
2 808 . 9 1 1 A 66 66 ASN C C 61 174.531 175.225 -0.694 1
2 809 . 9 1 1 A 67 67 SER N N 62 115.491 111.524 3.967 1
2 810 . 9 1 1 A 67 67 SER H H 62 8.288 8.204 0.084 1
2 811 . 9 1 1 A 67 67 SER CA C 62 57.980 59.595 -1.615 1
2 812 . 9 1 1 A 67 67 SER HA H 62 4.283 4.268 0.015 1
2 813 . 9 1 1 A 67 67 SER CB C 62 63.205 61.128 2.077 1
2 816 . 9 1 1 A 67 67 SER C C 62 173.864 173.867 -0.003 1
2 817 . 9 1 1 A 68 68 LEU N N 63 123.549 115.708 7.841 1
2 818 . 9 1 1 A 68 68 LEU H H 63 8.063 7.419 0.644 1
2 819 . 9 1 1 A 68 68 LEU CA C 63 54.098 53.958 0.140 1
2 820 . 9 1 1 A 68 68 LEU HA H 63 4.481 4.601 -0.120 1
2 821 . 9 1 1 A 68 68 LEU CB C 63 42.494 42.481 0.013 1
2 834 . 9 1 1 A 68 68 LEU C C 63 176.532 175.922 0.610 1
2 835 . 9 1 1 A 69 69 THR N N 64 112.637 109.604 3.033 1
2 836 . 9 1 1 A 69 69 THR H H 64 7.797 7.450 0.347 1
2 837 . 9 1 1 A 69 69 THR CA C 64 59.915 59.783 0.132 1
2 838 . 9 1 1 A 69 69 THR HA H 64 4.490 4.609 -0.119 1
2 839 . 9 1 1 A 69 69 THR CB C 64 70.852 72.284 -1.432 1
2 845 . 9 1 1 A 69 69 THR C C 64 174.998 174.670 0.328 1
2 846 . 9 1 1 A 70 70 LYS N N 65 120.128 121.594 -1.466 1
2 847 . 9 1 1 A 70 70 LYS H H 65 9.059 9.277 -0.218 1
2 848 . 9 1 1 A 70 70 LYS CA C 65 59.535 59.984 -0.449 1
2 849 . 9 1 1 A 70 70 LYS HA H 65 3.909 3.896 0.013 1
2 850 . 9 1 1 A 70 70 LYS CB C 65 31.890 31.937 -0.047 1
2 858 . 9 1 1 A 70 70 LYS C C 65 177.536 178.618 -1.082 1
2 859 . 9 1 1 A 71 71 GLU N N 66 117.667 120.404 -2.737 1
2 860 . 9 1 1 A 71 71 GLU H H 66 8.699 8.562 0.137 1
2 861 . 9 1 1 A 71 71 GLU CA C 66 60.199 59.185 1.014 1
2 862 . 9 1 1 A 71 71 GLU HA H 66 3.806 4.005 -0.199 1
2 863 . 9 1 1 A 71 71 GLU CB C 66 27.986 29.750 -1.764 1
2 870 . 9 1 1 A 71 71 GLU C C 66 178.416 179.067 -0.651 1
2 871 . 9 1 1 A 72 72 ALA N N 67 123.924 122.391 1.533 1
2 872 . 9 1 1 A 72 72 ALA H H 67 7.992 7.420 0.572 1
2 873 . 9 1 1 A 72 72 ALA CA C 67 54.477 54.870 -0.393 1
2 874 . 9 1 1 A 72 72 ALA HA H 67 4.110 4.064 0.046 1
2 878 . 9 1 1 A 72 72 ALA CB C 67 18.301 18.598 -0.297 1
2 879 . 9 1 1 A 72 72 ALA C C 67 178.721 179.470 -0.749 1
2 880 . 9 1 1 A 73 73 VAL N N 68 119.434 118.168 1.266 1
2 881 . 9 1 1 A 73 73 VAL H H 68 8.044 8.007 0.037 1
2 882 . 9 1 1 A 73 73 VAL CA C 68 66.089 66.540 -0.451 1
2 883 . 9 1 1 A 73 73 VAL HA H 68 3.473 3.510 -0.037 1
2 884 . 9 1 1 A 73 73 VAL CB C 68 31.150 31.563 -0.413 1
2 894 . 9 1 1 A 73 73 VAL C C 68 177.001 178.615 -1.614 1
2 895 . 9 1 1 A 74 74 ALA N N 69 120.671 121.462 -0.791 1
2 896 . 9 1 1 A 74 74 ALA H H 69 8.407 8.101 0.306 1
2 897 . 9 1 1 A 74 74 ALA CA C 69 54.727 55.023 -0.296 1
2 898 . 9 1 1 A 74 74 ALA HA H 69 3.968 4.019 -0.051 1
2 902 . 9 1 1 A 74 74 ALA CB C 69 18.066 17.938 0.128 1
2 903 . 9 1 1 A 74 74 ALA C C 69 178.820 179.503 -0.683 1
2 904 . 9 1 1 A 75 75 LYS N N 70 118.624 118.102 0.522 1
2 905 . 9 1 1 A 75 75 LYS H H 70 7.930 7.980 -0.050 1
2 906 . 9 1 1 A 75 75 LYS CA C 70 58.807 60.105 -1.298 1
2 907 . 9 1 1 A 75 75 LYS HA H 70 4.086 3.922 0.164 1
2 908 . 9 1 1 A 75 75 LYS CB C 70 31.776 32.225 -0.449 1
2 918 . 9 1 1 A 75 75 LYS C C 70 177.424 179.257 -1.833 1
2 919 . 9 1 1 A 76 76 ILE N N 71 120.234 119.731 0.503 1
2 920 . 9 1 1 A 76 76 ILE H H 71 7.478 7.725 -0.247 1
2 921 . 9 1 1 A 76 76 ILE CA C 71 64.885 64.748 0.137 1
2 922 . 9 1 1 A 76 76 ILE HA H 71 3.960 3.800 0.160 1
2 923 . 9 1 1 A 76 76 ILE CB C 71 37.810 36.547 1.263 1
2 936 . 9 1 1 A 76 76 ILE C C 71 179.734 178.303 1.431 1
2 937 . 9 1 1 A 77 77 VAL N N 72 122.502 120.676 1.826 1
2 938 . 9 1 1 A 77 77 VAL H H 72 8.325 7.831 0.494 1
2 939 . 9 1 1 A 77 77 VAL CA C 72 67.450 66.652 0.798 1
2 940 . 9 1 1 A 77 77 VAL HA H 72 3.576 3.307 0.269 1
2 941 . 9 1 1 A 77 77 VAL CB C 72 30.928 31.115 -0.187 1
2 951 . 9 1 1 A 77 77 VAL C C 72 176.906 177.824 -0.918 1
2 952 . 9 1 1 A 78 78 ASP N N 73 120.524 120.329 0.195 1
2 953 . 9 1 1 A 78 78 ASP H H 73 8.798 8.108 0.690 1
2 954 . 9 1 1 A 78 78 ASP CA C 73 58.206 57.405 0.801 1
2 955 . 9 1 1 A 78 78 ASP HA H 73 4.379 4.426 -0.047 1
2 956 . 9 1 1 A 78 78 ASP CB C 73 41.420 40.719 0.701 1
2 960 . 9 1 1 A 78 78 ASP C C 73 178.068 178.361 -0.293 1
2 961 . 9 1 1 A 79 79 ASP N N 74 119.761 118.999 0.762 1
2 962 . 9 1 1 A 79 79 ASP H H 74 9.318 8.090 1.228 1
2 963 . 9 1 1 A 79 79 ASP CA C 74 57.025 57.379 -0.354 1
2 964 . 9 1 1 A 79 79 ASP HA H 74 4.404 4.365 0.039 1
2 965 . 9 1 1 A 79 79 ASP CB C 74 40.007 41.007 -1.000 1
2 969 . 9 1 1 A 79 79 ASP C C 74 178.813 178.745 0.068 1
2 970 . 9 1 1 A 80 80 THR N N 75 117.342 117.135 0.207 1
2 971 . 9 1 1 A 80 80 THR H H 75 8.084 8.647 -0.563 1
2 972 . 9 1 1 A 80 80 THR CA C 75 66.977 67.039 -0.062 1
2 973 . 9 1 1 A 80 80 THR HA H 75 3.826 4.150 -0.324 1
2 974 . 9 1 1 A 80 80 THR CB C 75 67.725 68.795 -1.070 1
2 980 . 9 1 1 A 80 80 THR C C 75 175.367 176.139 -0.772 1
2 981 . 9 1 1 A 81 81 TYR N N 76 123.732 122.054 1.678 1
2 982 . 9 1 1 A 81 81 TYR H H 76 8.830 8.180 0.650 1
2 983 . 9 1 1 A 81 81 TYR CA C 76 61.713 61.957 -0.244 1
2 984 . 9 1 1 A 81 81 TYR HA H 76 4.265 4.473 -0.208 1
2 985 . 9 1 1 A 81 81 TYR CB C 76 38.849 38.704 0.145 1
2 994 . 9 1 1 A 81 81 TYR C C 76 176.700 177.429 -0.729 1
2 995 . 9 1 1 A 82 82 ARG N N 77 118.508 120.362 -1.854 1
2 996 . 9 1 1 A 82 82 ARG H H 77 8.754 8.957 -0.203 1
2 997 . 9 1 1 A 82 82 ARG CA C 77 58.792 58.746 0.046 1
2 998 . 9 1 1 A 82 82 ARG HA H 77 3.890 3.877 0.013 1
2 999 . 9 1 1 A 82 82 ARG CB C 77 29.498 30.197 -0.699 1
2 1015 . 9 1 1 A 82 82 ARG C C 77 178.748 178.357 0.391 1
2 1016 . 9 1 1 A 83 83 LYS N N 78 118.079 119.826 -1.747 1
2 1017 . 9 1 1 A 83 83 LYS H H 78 7.696 7.764 -0.068 1
2 1018 . 9 1 1 A 83 83 LYS CA C 78 58.671 59.068 -0.397 1
2 1019 . 9 1 1 A 83 83 LYS HA H 78 4.024 4.137 -0.113 1
2 1020 . 9 1 1 A 83 83 LYS CB C 78 32.057 31.736 0.321 1
2 1026 . 9 1 1 A 83 83 LYS C C 78 177.743 179.434 -1.691 1
2 1027 . 9 1 1 A 84 84 MET N N 79 118.241 118.918 -0.677 1
2 1028 . 9 1 1 A 84 84 MET H H 79 7.748 8.094 -0.346 1
2 1029 . 9 1 1 A 84 84 MET CA C 79 57.209 58.539 -1.330 1
2 1030 . 9 1 1 A 84 84 MET HA H 79 4.170 4.125 0.045 1
2 1031 . 9 1 1 A 84 84 MET CB C 79 32.320 33.445 -1.125 1
2 1041 . 9 1 1 A 84 84 MET C C 79 177.036 177.114 -0.078 1
2 1042 . 9 1 1 A 85 85 GLN N N 80 117.242 115.589 1.653 1
2 1043 . 9 1 1 A 85 85 GLN H H 80 7.843 7.650 0.193 1
2 1044 . 9 1 1 A 85 85 GLN CA C 80 56.523 54.755 1.768 1
2 1045 . 9 1 1 A 85 85 GLN HA H 80 3.993 4.570 -0.577 1
2 1046 . 9 1 1 A 85 85 GLN CB C 80 28.240 29.881 -1.641 1
2 1056 . 9 1 1 A 85 85 GLN C C 80 176.690 175.109 1.581 1
2 1057 . 9 1 1 A 86 86 ILE N N 81 119.178 116.311 2.867 1
2 1058 . 9 1 1 A 86 86 ILE H H 81 7.715 7.854 -0.139 1
2 1059 . 9 1 1 A 86 86 ILE CA C 81 62.073 61.891 0.182 1
2 1060 . 9 1 1 A 86 86 ILE HA H 81 3.934 3.655 0.279 1
2 1061 . 9 1 1 A 86 86 ILE CB C 81 37.966 36.734 1.232 1
2 1074 . 9 1 1 A 86 86 ILE C C 81 176.673 175.847 0.826 1
2 1075 . 9 1 1 A 87 87 GLN N N 82 121.386 127.148 -5.762 1
2 1076 . 9 1 1 A 87 87 GLN H H 82 8.164 7.933 0.231 1
2 1077 . 9 1 1 A 87 87 GLN CA C 82 55.968 58.239 -2.271 1
2 1078 . 9 1 1 A 87 87 GLN HA H 82 4.214 3.973 0.241 1
2 1079 . 9 1 1 A 87 87 GLN CB C 82 28.735 29.161 -0.426 1
2 1088 . 9 1 1 A 87 87 GLN C C 82 175.836 175.999 -0.163 1
2 1089 . 9 1 1 A 88 88 CYS N N 83 118.663 117.350 1.313 1
2 1090 . 9 1 1 A 88 88 CYS H H 83 8.238 7.691 0.547 1
2 1091 . 9 1 1 A 88 88 CYS CA C 83 57.997 58.263 -0.266 1
2 1092 . 9 1 1 A 88 88 CYS HA H 83 4.467 4.649 -0.182 1
2 1093 . 9 1 1 A 88 88 CYS CB C 83 27.582 28.316 -0.734 1
2 1096 . 9 1 1 A 88 88 CYS C C 83 173.432 174.134 -0.702 1
2 1097 . 9 1 1 A 89 89 ALA N N 84 127.014 119.548 7.466 1
2 1098 . 9 1 1 A 89 89 ALA H H 84 8.249 8.095 0.154 1
2 1099 . 9 1 1 A 89 89 ALA CA C 84 50.607 52.768 -2.161 1
2 1100 . 9 1 1 A 89 89 ALA HA H 84 4.544 4.008 0.536 1
2 1104 . 9 1 1 A 89 89 ALA CB C 84 17.658 17.337 0.321 1
2 1105 . 9 1 1 A 89 89 ALA C C 84 175.125 178.077 -2.952 1
2 1107 . 9 1 1 A 90 90 PRO CA C 85 62.995 63.517 -0.522 1
2 1108 . 9 1 1 A 90 90 PRO HA H 85 4.373 4.413 -0.040 1
2 1109 . 9 1 1 A 90 90 PRO CB C 85 31.692 32.167 -0.475 1
2 1117 . 9 1 1 A 90 90 PRO C C 85 176.407 177.062 -0.655 1
2 1118 . 9 1 1 A 91 91 ASP N N 86 119.209 118.746 0.463 1
2 1119 . 9 1 1 A 91 91 ASP H H 86 8.429 8.122 0.307 1
2 1120 . 9 1 1 A 91 91 ASP CA C 86 53.752 54.772 -1.020 1
2 1121 . 9 1 1 A 91 91 ASP HA H 86 4.394 4.332 0.062 1
2 1122 . 9 1 1 A 91 91 ASP CB C 86 40.319 39.068 1.251 1
2 1125 . 9 1 1 A 91 91 ASP C C 86 176.101 176.848 -0.747 1
2 1126 . 9 1 1 A 92 92 LEU N N 87 122.571 121.380 1.191 1
2 1127 . 9 1 1 A 92 92 LEU H H 87 8.208 8.038 0.170 1
2 1128 . 9 1 1 A 92 92 LEU CA C 87 55.286 57.341 -2.055 1
2 1129 . 9 1 1 A 92 92 LEU HA H 87 4.204 3.964 0.240 1
2 1130 . 9 1 1 A 92 92 LEU CB C 87 41.786 42.240 -0.454 1
2 1143 . 9 1 1 A 92 92 LEU C C 87 177.406 176.801 0.605 1
2 1144 . 9 1 1 A 93 93 ALA N N 88 123.131 119.957 3.174 1
2 1145 . 9 1 1 A 93 93 ALA H H 88 8.305 7.871 0.434 1
2 1146 . 9 1 1 A 93 93 ALA CA C 88 52.876 52.908 -0.032 1
2 1147 . 9 1 1 A 93 93 ALA HA H 88 4.263 4.032 0.231 1
2 1151 . 9 1 1 A 93 93 ALA CB C 88 18.672 16.989 1.683 1
2 1152 . 9 1 1 A 93 93 ALA C C 88 178.033 177.039 0.994 1
2 1153 . 9 1 1 A 94 94 THR N N 89 112.097 111.599 0.498 1
2 1154 . 9 1 1 A 94 94 THR H H 89 7.994 7.728 0.266 1
2 1155 . 9 1 1 A 94 94 THR CA C 89 61.640 66.845 -5.205 1
2 1156 . 9 1 1 A 94 94 THR HA H 89 4.251 3.855 0.396 1
2 1157 . 9 1 1 A 94 94 THR CB C 89 69.063 68.652 0.411 1
2 1163 . 9 1 1 A 94 94 THR C C 89 174.493 175.690 -1.197 1
2 1164 . 9 1 1 A 95 95 ARG N N 90 122.704 118.071 4.633 1
2 1165 . 9 1 1 A 95 95 ARG H H 90 8.211 7.997 0.214 1
2 1166 . 9 1 1 A 95 95 ARG CA C 90 55.718 55.239 0.479 1
2 1167 . 9 1 1 A 95 95 ARG HA H 90 4.324 4.474 -0.150 1
2 1168 . 9 1 1 A 95 95 ARG CB C 90 30.309 31.282 -0.973 1
2 1179 . 9 1 1 A 95 95 ARG C C 90 175.927 175.512 0.415 1
2 1180 . 9 1 1 A 96 96 SER N N 91 116.390 117.848 -1.458 1
2 1181 . 9 1 1 A 96 96 SER H H 91 8.365 7.912 0.453 1
2 1182 . 9 1 1 A 96 96 SER CA C 91 57.823 57.087 0.736 1
2 1183 . 9 1 1 A 96 96 SER HA H 91 4.356 4.693 -0.337 1
2 1184 . 9 1 1 A 96 96 SER CB C 91 63.214 62.067 1.147 1
2 1187 . 9 1 1 A 96 96 SER C C 91 174.011 174.865 -0.854 1
2 1188 . 9 1 1 A 97 97 HIS N N 92 120.507 120.347 0.160 1
2 1189 . 9 1 1 A 97 97 HIS H H 92 8.541 8.192 0.349 1
2 1190 . 9 1 1 A 97 97 HIS CA C 92 54.960 54.925 0.035 1
2 1191 . 9 1 1 A 97 97 HIS HA H 92 4.704 4.951 -0.247 1
2 1192 . 9 1 1 A 97 97 HIS CB C 92 28.518 30.862 -2.344 1
2 1197 . 9 1 1 A 97 97 HIS C C 92 174.186 174.134 0.052 1
2 1198 . 9 1 1 A 98 98 SER N N 93 116.801 111.471 5.330 1
2 1199 . 9 1 1 A 98 98 SER H H 93 8.455 7.501 0.954 1
2 1200 . 9 1 1 A 98 98 SER CA C 93 57.880 57.008 0.872 1
2 1201 . 9 1 1 A 98 98 SER HA H 93 4.445 4.468 -0.023 1
2 1202 . 9 1 1 A 98 98 SER CB C 93 63.434 64.800 -1.366 1
2 1205 . 9 1 1 A 98 98 SER C C 93 174.508 174.133 0.375 1
2 1206 . 9 1 1 A 99 99 GLY N N 94 111.114 108.668 2.446 1
2 1207 . 9 1 1 A 99 99 GLY H H 94 8.597 8.599 -0.002 1
2 1208 . 9 1 1 A 99 99 GLY CA C 94 44.888 44.708 0.180 1
2 1209 . 9 1 1 A 99 99 GLY HA2 H 94 3.998 4.127 -0.129 1
2 1210 . 9 1 1 A 99 99 GLY HA3 H 94 3.998 4.142 -0.144 1
2 1211 . 9 1 1 A 99 99 GLY C C 94 173.856 174.045 -0.189 1
2 1212 . 9 1 1 A 100 100 SER N N 95 115.398 115.986 -0.588 1
2 1213 . 9 1 1 A 100 100 SER H H 95 8.311 8.263 0.048 1
2 1214 . 9 1 1 A 100 100 SER CA C 95 57.888 57.562 0.326 1
2 1215 . 9 1 1 A 100 100 SER HA H 95 4.408 4.831 -0.423 1
2 1216 . 9 1 1 A 100 100 SER CB C 95 63.328 64.061 -0.733 1
2 1219 . 9 1 1 A 100 100 SER C C 95 173.725 174.586 -0.861 1
2 1220 . 9 1 1 A 101 101 ASP N N 96 121.810 120.485 1.325 1
2 1221 . 9 1 1 A 101 101 ASP H H 96 8.380 8.157 0.223 1
2 1222 . 9 1 1 A 101 101 ASP CA C 96 53.813 54.322 -0.509 1
2 1223 . 9 1 1 A 101 101 ASP HA H 96 4.536 4.914 -0.378 1
2 1224 . 9 1 1 A 101 101 ASP CB C 96 40.438 42.135 -1.697 1
2 1227 . 9 1 1 A 101 101 ASP C C 96 175.524 176.546 -1.022 1
2 1228 . 9 1 1 A 102 102 PHE N N 97 120.706 117.364 3.342 1
2 1229 . 9 1 1 A 102 102 PHE H H 97 8.249 8.075 0.174 1
2 1230 . 9 1 1 A 102 102 PHE CA C 97 57.323 57.919 -0.596 1
2 1231 . 9 1 1 A 102 102 PHE HA H 97 4.527 4.583 -0.056 1
2 1232 . 9 1 1 A 102 102 PHE CB C 97 38.989 39.107 -0.118 1
2 1238 . 9 1 1 A 102 102 PHE C C 97 175.246 175.836 -0.590 1
2 1239 . 9 1 1 A 103 103 SER N N 98 116.992 114.709 2.283 1
2 1240 . 9 1 1 A 103 103 SER H H 98 8.167 7.926 0.241 1
2 1241 . 9 1 1 A 103 103 SER CA C 98 57.883 57.829 0.054 1
2 1242 . 9 1 1 A 103 103 SER HA H 98 4.317 4.745 -0.428 1
2 1243 . 9 1 1 A 103 103 SER CB C 98 63.301 63.599 -0.298 1
2 1246 . 9 1 1 A 103 103 SER C C 98 173.244 173.090 0.154 1
2 1247 . 9 1 1 A 104 104 PHE N N 99 122.000 125.413 -3.413 1
2 1248 . 9 1 1 A 104 104 PHE H H 99 8.170 8.873 -0.703 1
2 1249 . 9 1 1 A 104 104 PHE CA C 99 57.236 56.189 1.047 1
2 1250 . 9 1 1 A 104 104 PHE HA H 99 4.529 4.613 -0.084 1
2 1251 . 9 1 1 A 104 104 PHE CB C 99 38.997 37.309 1.688 1
2 1257 . 9 1 1 A 104 104 PHE C C 99 174.632 174.226 0.406 1
2 1258 . 9 1 1 A 105 105 ARG N N 100 124.796 125.250 -0.454 1
2 1259 . 9 1 1 A 105 105 ARG H H 100 8.101 8.100 0.001 1
2 1260 . 9 1 1 A 105 105 ARG CA C 100 52.969 54.493 -1.524 1
2 1261 . 9 1 1 A 105 105 ARG HA H 100 4.516 4.149 0.367 1
2 1262 . 9 1 1 A 105 105 ARG CB C 100 30.069 30.599 -0.530 1
2 1271 . 9 1 1 A 105 105 ARG C C 100 172.924 174.804 -1.880 1
2 1273 . 9 1 1 A 106 106 PRO CA C 101 62.673 62.613 0.060 1
2 1274 . 9 1 1 A 106 106 PRO HA H 101 4.351 4.492 -0.141 1
2 1275 . 9 1 1 A 106 106 PRO CB C 101 31.726 30.516 1.210 1
2 1283 . 9 1 1 A 106 106 PRO C C 101 176.395 175.948 0.447 1
2 1284 . 9 1 1 A 107 107 ILE N N 102 121.380 123.944 -2.564 1
2 1285 . 9 1 1 A 107 107 ILE H H 102 8.350 8.095 0.255 1
2 1286 . 9 1 1 A 107 107 ILE CA C 102 60.940 60.293 0.647 1
2 1287 . 9 1 1 A 107 107 ILE HA H 102 4.039 4.534 -0.495 1
2 1288 . 9 1 1 A 107 107 ILE CB C 102 38.204 39.206 -1.002 1
2 1301 . 9 1 1 A 107 107 ILE C C 102 175.990 176.348 -0.358 1
2 1302 . 9 1 1 A 108 108 GLU N N 103 124.836 122.855 1.981 1
2 1303 . 9 1 1 A 108 108 GLU H H 103 8.578 8.094 0.484 1
2 1304 . 9 1 1 A 108 108 GLU CA C 103 55.883 59.455 -3.572 1
2 1305 . 9 1 1 A 108 108 GLU HA H 103 4.280 3.994 0.286 1
2 1306 . 9 1 1 A 108 108 GLU CB C 103 29.902 29.384 0.518 1
2 1312 . 9 1 1 A 108 108 GLU C C 103 175.670 177.924 -2.254 1
2 1313 . 9 1 1 A 109 109 GLU N N 104 122.847 119.147 3.700 1
2 1314 . 9 1 1 A 109 109 GLU H H 104 8.459 7.708 0.751 1
2 1315 . 9 1 1 A 109 109 GLU CA C 104 55.902 55.907 -0.005 1
2 1316 . 9 1 1 A 109 109 GLU HA H 104 4.267 4.329 -0.062 1
2 1317 . 9 1 1 A 109 109 GLU CB C 104 29.985 28.653 1.332 1
2 1322 . 9 1 1 A 109 109 GLU C C 104 174.661 175.239 -0.578 1
2 3 . 10 1 1 A 2 2 SER N N -4 115.528 117.597 -2.069 1
2 4 . 10 1 1 A 2 2 SER H H -4 8.751 7.979 0.772 1
2 5 . 10 1 1 A 2 2 SER CA C -4 57.687 60.302 -2.615 1
2 6 . 10 1 1 A 2 2 SER HA H -4 4.451 4.403 0.048 1
2 7 . 10 1 1 A 2 2 SER CB C -4 63.389 63.853 -0.464 1
2 8 . 10 1 1 A 2 2 SER C C -4 173.913 174.725 -0.812 1
2 9 . 10 1 1 A 3 3 HIS N N -3 120.998 114.130 6.868 1
2 10 . 10 1 1 A 3 3 HIS H H -3 8.769 7.673 1.096 1
2 11 . 10 1 1 A 3 3 HIS CA C -3 55.010 55.070 -0.060 1
2 12 . 10 1 1 A 3 3 HIS HA H -3 4.707 4.812 -0.105 1
2 13 . 10 1 1 A 3 3 HIS CB C -3 28.916 29.559 -0.643 1
2 16 . 10 1 1 A 3 3 HIS C C -3 174.207 174.206 0.001 1
2 17 . 10 1 1 A 4 4 MET N N -2 122.227 118.865 3.362 1
2 18 . 10 1 1 A 4 4 MET H H -2 8.518 7.807 0.711 1
2 19 . 10 1 1 A 4 4 MET CA C -2 55.014 55.106 -0.092 1
2 20 . 10 1 1 A 4 4 MET HA H -2 4.418 4.893 -0.475 1
2 21 . 10 1 1 A 4 4 MET CB C -2 32.678 33.871 -1.193 1
2 31 . 10 1 1 A 4 4 MET C C -2 175.481 174.646 0.835 1
2 49 . 10 1 1 A 7 7 ALA N N 2 124.549 122.787 1.762 1
2 50 . 10 1 1 A 7 7 ALA H H 2 8.453 8.060 0.393 1
2 51 . 10 1 1 A 7 7 ALA CA C 2 53.221 54.312 -1.091 1
2 52 . 10 1 1 A 7 7 ALA HA H 2 4.194 4.093 0.101 1
2 56 . 10 1 1 A 7 7 ALA CB C 2 18.431 18.243 0.188 1
2 57 . 10 1 1 A 7 7 ALA C C 2 178.162 179.188 -1.026 1
2 58 . 10 1 1 A 8 8 ASP N N 3 118.618 118.723 -0.105 1
2 59 . 10 1 1 A 8 8 ASP H H 3 8.064 7.746 0.318 1
2 60 . 10 1 1 A 8 8 ASP CA C 3 54.124 56.763 -2.639 1
2 61 . 10 1 1 A 8 8 ASP HA H 3 4.539 4.328 0.211 1
2 62 . 10 1 1 A 8 8 ASP CB C 3 40.341 40.980 -0.639 1
2 65 . 10 1 1 A 8 8 ASP C C 3 176.694 178.197 -1.503 1
2 66 . 10 1 1 A 9 9 LEU N N 4 123.427 120.369 3.058 1
2 67 . 10 1 1 A 9 9 LEU H H 4 8.202 7.933 0.269 1
2 68 . 10 1 1 A 9 9 LEU CA C 4 57.495 57.864 -0.369 1
2 69 . 10 1 1 A 9 9 LEU HA H 4 4.086 4.009 0.077 1
2 70 . 10 1 1 A 9 9 LEU CB C 4 41.905 41.612 0.293 1
2 82 . 10 1 1 A 9 9 LEU C C 4 178.839 178.696 0.143 1
2 83 . 10 1 1 A 10 10 VAL N N 5 119.385 119.186 0.199 1
2 84 . 10 1 1 A 10 10 VAL H H 5 8.186 8.357 -0.171 1
2 85 . 10 1 1 A 10 10 VAL CA C 5 66.585 66.738 -0.153 1
2 86 . 10 1 1 A 10 10 VAL HA H 5 3.420 3.513 -0.093 1
2 87 . 10 1 1 A 10 10 VAL CB C 5 31.177 31.530 -0.353 1
2 97 . 10 1 1 A 10 10 VAL C C 5 177.439 178.226 -0.787 1
2 98 . 10 1 1 A 11 11 SER N N 6 115.027 115.528 -0.501 1
2 99 . 10 1 1 A 11 11 SER H H 6 8.252 8.080 0.172 1
2 100 . 10 1 1 A 11 11 SER CA C 6 61.152 61.606 -0.454 1
2 101 . 10 1 1 A 11 11 SER HA H 6 4.055 4.057 -0.002 1
2 102 . 10 1 1 A 11 11 SER CB C 6 62.161 62.908 -0.747 1
2 105 . 10 1 1 A 11 11 SER C C 6 176.036 177.333 -1.297 1
2 106 . 10 1 1 A 12 12 SER N N 7 115.144 116.570 -1.426 1
2 107 . 10 1 1 A 12 12 SER H H 7 8.053 8.096 -0.043 1
2 108 . 10 1 1 A 12 12 SER CA C 7 60.168 61.567 -1.399 1
2 109 . 10 1 1 A 12 12 SER HA H 7 4.284 4.120 0.164 1
2 110 . 10 1 1 A 12 12 SER CB C 7 62.706 63.046 -0.340 1
2 113 . 10 1 1 A 12 12 SER C C 7 176.540 176.529 0.011 1
2 114 . 10 1 1 A 13 13 CYS N N 8 118.211 119.203 -0.992 1
2 115 . 10 1 1 A 13 13 CYS H H 8 7.919 8.677 -0.758 1
2 116 . 10 1 1 A 13 13 CYS CA C 8 63.651 63.992 -0.341 1
2 117 . 10 1 1 A 13 13 CYS HA H 8 4.026 4.162 -0.136 1
2 118 . 10 1 1 A 13 13 CYS CB C 8 26.641 27.039 -0.398 1
2 121 . 10 1 1 A 13 13 CYS C C 8 175.645 177.103 -1.458 1
2 122 . 10 1 1 A 14 14 LYS N N 9 120.074 121.556 -1.482 1
2 123 . 10 1 1 A 14 14 LYS H H 9 8.632 8.171 0.461 1
2 124 . 10 1 1 A 14 14 LYS CA C 9 60.441 59.649 0.792 1
2 125 . 10 1 1 A 14 14 LYS HA H 9 3.672 4.037 -0.365 1
2 126 . 10 1 1 A 14 14 LYS CB C 9 31.685 32.049 -0.364 1
2 138 . 10 1 1 A 14 14 LYS C C 9 177.615 178.051 -0.436 1
2 139 . 10 1 1 A 15 15 ASP N N 10 117.613 119.558 -1.945 1
2 140 . 10 1 1 A 15 15 ASP H H 10 7.732 8.165 -0.433 1
2 141 . 10 1 1 A 15 15 ASP CA C 10 56.175 57.582 -1.407 1
2 142 . 10 1 1 A 15 15 ASP HA H 10 4.307 4.294 0.013 1
2 143 . 10 1 1 A 15 15 ASP CB C 10 40.056 41.679 -1.623 1
2 146 . 10 1 1 A 15 15 ASP C C 10 177.650 178.779 -1.129 1
2 147 . 10 1 1 A 16 16 LYS N N 11 117.878 118.462 -0.584 1
2 148 . 10 1 1 A 16 16 LYS H H 11 7.254 7.840 -0.586 1
2 149 . 10 1 1 A 16 16 LYS CA C 11 58.962 59.455 -0.493 1
2 150 . 10 1 1 A 16 16 LYS HA H 11 3.645 4.145 -0.500 1
2 151 . 10 1 1 A 16 16 LYS CB C 11 32.951 32.447 0.504 1
2 160 . 10 1 1 A 16 16 LYS C C 11 177.263 178.853 -1.590 1
2 161 . 10 1 1 A 17 17 LEU N N 12 115.652 121.978 -6.326 1
2 162 . 10 1 1 A 17 17 LEU H H 12 8.138 8.479 -0.341 1
2 163 . 10 1 1 A 17 17 LEU CA C 12 56.726 58.055 -1.329 1
2 164 . 10 1 1 A 17 17 LEU HA H 12 3.579 4.228 -0.649 1
2 165 . 10 1 1 A 17 17 LEU CB C 12 41.959 41.202 0.757 1
2 176 . 10 1 1 A 17 17 LEU C C 12 177.485 178.622 -1.137 1
2 177 . 10 1 1 A 18 18 ALA N N 13 116.044 121.049 -5.005 1
2 178 . 10 1 1 A 18 18 ALA H H 13 7.080 8.575 -1.495 1
2 179 . 10 1 1 A 18 18 ALA CA C 13 53.389 54.978 -1.589 1
2 180 . 10 1 1 A 18 18 ALA HA H 13 3.963 4.128 -0.165 1
2 184 . 10 1 1 A 18 18 ALA CB C 13 18.161 18.481 -0.320 1
2 185 . 10 1 1 A 18 18 ALA C C 13 178.207 179.495 -1.288 1
2 186 . 10 1 1 A 19 19 TYR N N 14 115.556 119.543 -3.987 1
2 187 . 10 1 1 A 19 19 TYR H H 14 7.675 7.824 -0.149 1
2 188 . 10 1 1 A 19 19 TYR CA C 14 58.647 59.834 -1.187 1
2 189 . 10 1 1 A 19 19 TYR HA H 14 4.304 4.189 0.115 1
2 190 . 10 1 1 A 19 19 TYR CB C 14 38.609 39.046 -0.437 1
2 199 . 10 1 1 A 19 19 TYR C C 14 175.911 175.867 0.044 1
2 200 . 10 1 1 A 20 20 PHE N N 15 118.275 119.487 -1.212 1
2 201 . 10 1 1 A 20 20 PHE H H 15 7.406 7.867 -0.461 1
2 202 . 10 1 1 A 20 20 PHE CA C 15 56.615 56.946 -0.331 1
2 203 . 10 1 1 A 20 20 PHE HA H 15 4.649 4.821 -0.172 1
2 204 . 10 1 1 A 20 20 PHE CB C 15 38.750 40.497 -1.747 1
2 215 . 10 1 1 A 20 20 PHE C C 15 176.160 175.483 0.677 1
2 216 . 10 1 1 A 21 21 ARG N N 16 119.140 122.703 -3.563 1
2 217 . 10 1 1 A 21 21 ARG H H 16 8.714 8.614 0.100 1
2 218 . 10 1 1 A 21 21 ARG CA C 16 54.349 56.765 -2.416 1
2 219 . 10 1 1 A 21 21 ARG HA H 16 4.751 4.294 0.457 1
2 220 . 10 1 1 A 21 21 ARG CB C 16 30.097 31.262 -1.165 1
2 236 . 10 1 1 A 21 21 ARG C C 16 177.095 177.726 -0.631 1
2 237 . 10 1 1 A 22 22 ILE N N 17 120.734 122.103 -1.369 1
2 238 . 10 1 1 A 22 22 ILE H H 17 8.708 8.808 -0.100 1
2 239 . 10 1 1 A 22 22 ILE CA C 17 65.145 64.741 0.404 1
2 240 . 10 1 1 A 22 22 ILE HA H 17 3.720 3.725 -0.005 1
2 241 . 10 1 1 A 22 22 ILE CB C 17 36.857 37.702 -0.845 1
2 254 . 10 1 1 A 22 22 ILE C C 17 176.745 177.894 -1.149 1
2 255 . 10 1 1 A 23 23 LYS N N 18 118.184 121.783 -3.599 1
2 256 . 10 1 1 A 23 23 LYS H H 18 8.267 8.218 0.049 1
2 257 . 10 1 1 A 23 23 LYS CA C 18 59.829 59.956 -0.127 1
2 258 . 10 1 1 A 23 23 LYS HA H 18 3.897 3.897 0.000 1
2 259 . 10 1 1 A 23 23 LYS CB C 18 32.268 32.277 -0.009 1
2 271 . 10 1 1 A 23 23 LYS C C 18 178.159 178.884 -0.725 1
2 272 . 10 1 1 A 24 24 GLU N N 19 117.654 119.184 -1.530 1
2 273 . 10 1 1 A 24 24 GLU H H 19 7.198 7.943 -0.745 1
2 274 . 10 1 1 A 24 24 GLU CA C 19 60.612 59.141 1.471 1
2 275 . 10 1 1 A 24 24 GLU HA H 19 4.030 3.967 0.063 1
2 276 . 10 1 1 A 24 24 GLU CB C 19 28.859 29.325 -0.466 1
2 282 . 10 1 1 A 24 24 GLU C C 19 178.521 179.184 -0.663 1
2 283 . 10 1 1 A 25 25 LEU N N 20 119.236 120.153 -0.917 1
2 284 . 10 1 1 A 25 25 LEU H H 20 7.980 8.345 -0.365 1
2 285 . 10 1 1 A 25 25 LEU CA C 20 57.676 57.955 -0.279 1
2 286 . 10 1 1 A 25 25 LEU HA H 20 3.904 4.001 -0.097 1
2 287 . 10 1 1 A 25 25 LEU CB C 20 42.218 41.009 1.209 1
2 294 . 10 1 1 A 25 25 LEU C C 20 177.990 179.436 -1.446 1
2 295 . 10 1 1 A 26 26 LYS N N 21 117.457 121.260 -3.803 1
2 296 . 10 1 1 A 26 26 LYS H H 21 8.770 8.374 0.396 1
2 297 . 10 1 1 A 26 26 LYS CA C 21 60.660 59.730 0.930 1
2 298 . 10 1 1 A 26 26 LYS HA H 21 3.787 3.943 -0.156 1
2 299 . 10 1 1 A 26 26 LYS CB C 21 31.876 32.068 -0.192 1
2 300 . 10 1 1 A 26 26 LYS C C 21 177.625 178.988 -1.363 1
2 301 . 10 1 1 A 27 27 ASP N N 22 119.023 119.584 -0.561 1
2 302 . 10 1 1 A 27 27 ASP H H 22 7.671 8.164 -0.493 1
2 303 . 10 1 1 A 27 27 ASP CA C 22 56.974 57.069 -0.095 1
2 304 . 10 1 1 A 27 27 ASP HA H 22 4.392 4.495 -0.103 1
2 305 . 10 1 1 A 27 27 ASP CB C 22 40.250 40.732 -0.482 1
2 308 . 10 1 1 A 27 27 ASP C C 22 180.796 179.019 1.777 1
2 309 . 10 1 1 A 28 28 ILE N N 23 119.318 120.331 -1.013 1
2 310 . 10 1 1 A 28 28 ILE H H 23 8.039 7.788 0.251 1
2 311 . 10 1 1 A 28 28 ILE CA C 23 65.365 65.492 -0.127 1
2 312 . 10 1 1 A 28 28 ILE HA H 23 3.587 3.634 -0.047 1
2 313 . 10 1 1 A 28 28 ILE CB C 23 37.408 38.153 -0.745 1
2 326 . 10 1 1 A 28 28 ILE C C 23 177.265 178.426 -1.161 1
2 327 . 10 1 1 A 29 29 LEU N N 24 120.356 121.409 -1.053 1
2 328 . 10 1 1 A 29 29 LEU H H 24 8.220 8.289 -0.069 1
2 329 . 10 1 1 A 29 29 LEU CA C 24 58.562 58.226 0.336 1
2 330 . 10 1 1 A 29 29 LEU HA H 24 3.806 3.997 -0.191 1
2 331 . 10 1 1 A 29 29 LEU CB C 24 39.477 41.437 -1.960 1
2 339 . 10 1 1 A 29 29 LEU C C 24 178.572 178.261 0.311 1
2 340 . 10 1 1 A 30 30 ASN N N 25 117.446 117.119 0.327 1
2 341 . 10 1 1 A 30 30 ASN H H 25 8.688 8.338 0.350 1
2 342 . 10 1 1 A 30 30 ASN CA C 25 56.092 56.728 -0.636 1
2 343 . 10 1 1 A 30 30 ASN HA H 25 4.493 4.373 0.120 1
2 344 . 10 1 1 A 30 30 ASN CB C 25 38.809 39.029 -0.220 1
2 351 . 10 1 1 A 30 30 ASN C C 25 178.884 178.045 0.839 1
2 352 . 10 1 1 A 31 31 GLN N N 26 119.946 117.981 1.965 1
2 353 . 10 1 1 A 31 31 GLN H H 26 8.184 7.799 0.385 1
2 354 . 10 1 1 A 31 31 GLN CA C 26 58.786 58.191 0.595 1
2 355 . 10 1 1 A 31 31 GLN HA H 26 4.041 4.127 -0.086 1
2 356 . 10 1 1 A 31 31 GLN CB C 26 29.089 28.029 1.060 1
2 366 . 10 1 1 A 31 31 GLN C C 26 177.656 178.880 -1.224 1
2 367 . 10 1 1 A 32 32 LEU N N 27 116.979 118.030 -1.051 1
2 368 . 10 1 1 A 32 32 LEU H H 27 7.893 7.587 0.306 1
2 369 . 10 1 1 A 32 32 LEU CA C 27 54.545 55.962 -1.417 1
2 370 . 10 1 1 A 32 32 LEU HA H 27 4.227 4.187 0.040 1
2 371 . 10 1 1 A 32 32 LEU CB C 27 42.063 42.560 -0.497 1
2 382 . 10 1 1 A 32 32 LEU C C 27 175.733 177.698 -1.965 1
2 383 . 10 1 1 A 33 33 GLY N N 28 108.299 106.425 1.874 1
2 384 . 10 1 1 A 33 33 GLY H H 28 7.834 8.212 -0.378 1
2 385 . 10 1 1 A 33 33 GLY CA C 28 45.707 45.450 0.257 1
2 386 . 10 1 1 A 33 33 GLY HA2 H 28 3.952 3.980 -0.028 1
2 387 . 10 1 1 A 33 33 GLY HA3 H 28 3.952 3.981 -0.029 1
2 388 . 10 1 1 A 33 33 GLY C C 28 174.317 174.317 0.000 1
2 389 . 10 1 1 A 34 34 LEU N N 29 120.833 114.802 6.031 1
2 390 . 10 1 1 A 34 34 LEU H H 29 7.986 7.118 0.868 1
2 391 . 10 1 1 A 34 34 LEU CA C 29 51.558 51.823 -0.265 1
2 392 . 10 1 1 A 34 34 LEU HA H 29 4.744 4.744 0.000 1
2 393 . 10 1 1 A 34 34 LEU CB C 29 43.525 42.088 1.437 1
2 405 . 10 1 1 A 35 35 PRO CA C 30 62.707 62.421 0.286 1
2 406 . 10 1 1 A 35 35 PRO HA H 30 4.351 4.632 -0.281 1
2 407 . 10 1 1 A 35 35 PRO CB C 30 31.919 29.345 2.574 1
2 415 . 10 1 1 A 35 35 PRO C C 30 177.488 175.835 1.653 1
2 416 . 10 1 1 A 36 36 LYS N N 31 117.590 117.723 -0.133 1
2 417 . 10 1 1 A 36 36 LYS H H 31 8.380 8.163 0.217 1
2 418 . 10 1 1 A 36 36 LYS CA C 31 55.660 55.331 0.329 1
2 419 . 10 1 1 A 36 36 LYS HA H 31 4.286 4.580 -0.294 1
2 420 . 10 1 1 A 36 36 LYS CB C 31 33.239 32.326 0.913 1
2 430 . 10 1 1 A 36 36 LYS C C 31 174.384 176.221 -1.837 1
2 431 . 10 1 1 A 37 37 GLN N N 32 118.260 119.607 -1.347 1
2 432 . 10 1 1 A 37 37 GLN H H 32 7.698 8.165 -0.467 1
2 433 . 10 1 1 A 37 37 GLN CA C 32 55.550 53.735 1.815 1
2 434 . 10 1 1 A 37 37 GLN HA H 32 4.376 4.570 -0.194 1
2 435 . 10 1 1 A 37 37 GLN CB C 32 28.221 31.148 -2.927 1
2 445 . 10 1 1 A 37 37 GLN C C 32 175.222 175.712 -0.490 1
2 446 . 10 1 1 A 38 38 GLY N N 33 109.855 108.871 0.984 1
2 447 . 10 1 1 A 38 38 GLY H H 33 8.449 8.328 0.121 1
2 448 . 10 1 1 A 38 38 GLY CA C 33 43.235 44.483 -1.248 1
2 449 . 10 1 1 A 38 38 GLY HA2 H 33 4.566 4.099 0.467 1
2 450 . 10 1 1 A 38 38 GLY HA3 H 33 3.789 4.099 -0.310 1
2 451 . 10 1 1 A 38 38 GLY C C 33 173.603 173.706 -0.103 1
2 452 . 10 1 1 A 39 39 LYS N N 34 117.627 122.499 -4.872 1
2 453 . 10 1 1 A 39 39 LYS H H 34 8.649 8.218 0.431 1
2 454 . 10 1 1 A 39 39 LYS CA C 34 54.563 54.747 -0.184 1
2 455 . 10 1 1 A 39 39 LYS HA H 34 4.394 4.600 -0.206 1
2 456 . 10 1 1 A 39 39 LYS CB C 34 32.892 34.389 -1.497 1
2 468 . 10 1 1 A 39 39 LYS C C 34 176.803 178.406 -1.603 1
2 469 . 10 1 1 A 40 40 LYS N N 35 121.705 123.880 -2.175 1
2 470 . 10 1 1 A 40 40 LYS H H 35 8.920 8.977 -0.057 1
2 471 . 10 1 1 A 40 40 LYS CA C 35 61.559 59.523 2.036 1
2 472 . 10 1 1 A 40 40 LYS HA H 35 3.597 3.967 -0.370 1
2 473 . 10 1 1 A 40 40 LYS CB C 35 31.953 32.148 -0.195 1
2 485 . 10 1 1 A 40 40 LYS C C 35 177.362 177.752 -0.390 1
2 486 . 10 1 1 A 41 41 GLN N N 36 114.637 117.835 -3.198 1
2 487 . 10 1 1 A 41 41 GLN H H 36 9.017 7.911 1.106 1
2 488 . 10 1 1 A 41 41 GLN CA C 36 57.638 58.931 -1.293 1
2 489 . 10 1 1 A 41 41 GLN HA H 36 3.719 4.015 -0.296 1
2 490 . 10 1 1 A 41 41 GLN CB C 36 27.865 28.457 -0.592 1
2 500 . 10 1 1 A 41 41 GLN C C 36 176.975 178.129 -1.154 1
2 501 . 10 1 1 A 42 42 ASP N N 37 115.984 120.515 -4.531 1
2 502 . 10 1 1 A 42 42 ASP H H 37 7.049 8.103 -1.054 1
2 503 . 10 1 1 A 42 42 ASP CA C 37 56.424 57.395 -0.971 1
2 504 . 10 1 1 A 42 42 ASP HA H 37 4.303 4.362 -0.059 1
2 505 . 10 1 1 A 42 42 ASP CB C 37 39.955 40.894 -0.939 1
2 508 . 10 1 1 A 42 42 ASP C C 37 178.454 178.922 -0.468 1
2 509 . 10 1 1 A 43 43 LEU N N 38 119.074 120.781 -1.707 1
2 510 . 10 1 1 A 43 43 LEU H H 38 7.725 8.304 -0.579 1
2 511 . 10 1 1 A 43 43 LEU CA C 38 57.716 58.006 -0.290 1
2 512 . 10 1 1 A 43 43 LEU HA H 38 3.794 3.978 -0.184 1
2 513 . 10 1 1 A 43 43 LEU CB C 38 40.211 42.374 -2.163 1
2 526 . 10 1 1 A 43 43 LEU C C 38 177.872 179.013 -1.141 1
2 527 . 10 1 1 A 44 44 ILE N N 39 118.343 118.798 -0.455 1
2 528 . 10 1 1 A 44 44 ILE H H 39 7.867 8.086 -0.219 1
2 529 . 10 1 1 A 44 44 ILE CA C 39 66.211 65.471 0.740 1
2 530 . 10 1 1 A 44 44 ILE HA H 39 3.319 3.507 -0.188 1
2 531 . 10 1 1 A 44 44 ILE CB C 39 37.985 37.717 0.268 1
2 541 . 10 1 1 A 44 44 ILE C C 39 177.711 177.669 0.042 1
2 542 . 10 1 1 A 45 45 ASP N N 40 118.535 120.632 -2.097 1
2 543 . 10 1 1 A 45 45 ASP H H 40 8.503 8.409 0.094 1
2 544 . 10 1 1 A 45 45 ASP CA C 40 56.817 57.373 -0.556 1
2 545 . 10 1 1 A 45 45 ASP HA H 40 4.256 4.470 -0.214 1
2 546 . 10 1 1 A 45 45 ASP CB C 40 39.815 40.841 -1.026 1
2 549 . 10 1 1 A 45 45 ASP C C 40 178.464 179.135 -0.671 1
2 550 . 10 1 1 A 46 46 ARG N N 41 120.910 120.378 0.532 1
2 551 . 10 1 1 A 46 46 ARG H H 41 7.717 7.822 -0.105 1
2 552 . 10 1 1 A 46 46 ARG CA C 41 59.054 59.674 -0.620 1
2 553 . 10 1 1 A 46 46 ARG HA H 41 3.993 4.038 -0.045 1
2 554 . 10 1 1 A 46 46 ARG CB C 41 29.778 30.790 -1.012 1
2 563 . 10 1 1 A 46 46 ARG C C 41 177.565 178.511 -0.946 1
2 564 . 10 1 1 A 47 47 VAL N N 42 117.438 119.320 -1.882 1
2 565 . 10 1 1 A 47 47 VAL H H 42 7.445 7.972 -0.527 1
2 566 . 10 1 1 A 47 47 VAL CA C 42 66.095 66.345 -0.250 1
2 567 . 10 1 1 A 47 47 VAL HA H 42 3.446 3.666 -0.220 1
2 568 . 10 1 1 A 47 47 VAL CB C 42 31.113 31.700 -0.587 1
2 578 . 10 1 1 A 47 47 VAL C C 42 177.710 178.094 -0.384 1
2 579 . 10 1 1 A 48 48 LEU N N 43 117.085 117.699 -0.614 1
2 580 . 10 1 1 A 48 48 LEU H H 43 8.466 8.131 0.335 1
2 581 . 10 1 1 A 48 48 LEU CA C 43 57.406 57.799 -0.393 1
2 582 . 10 1 1 A 48 48 LEU HA H 43 3.851 3.932 -0.081 1
2 583 . 10 1 1 A 48 48 LEU CB C 43 40.779 41.141 -0.362 1
2 596 . 10 1 1 A 48 48 LEU C C 43 179.581 179.557 0.024 1
2 597 . 10 1 1 A 49 49 ALA N N 44 120.480 121.961 -1.481 1
2 598 . 10 1 1 A 49 49 ALA H H 44 7.952 8.039 -0.087 1
2 599 . 10 1 1 A 49 49 ALA CA C 44 53.998 54.600 -0.602 1
2 600 . 10 1 1 A 49 49 ALA HA H 44 4.104 4.113 -0.009 1
2 604 . 10 1 1 A 49 49 ALA CB C 44 17.685 18.172 -0.487 1
2 605 . 10 1 1 A 49 49 ALA C C 44 178.926 179.483 -0.557 1
2 606 . 10 1 1 A 50 50 LEU N N 45 115.306 120.398 -5.092 1
2 607 . 10 1 1 A 50 50 LEU H H 45 7.428 7.789 -0.361 1
2 608 . 10 1 1 A 50 50 LEU CA C 45 55.650 57.617 -1.967 1
2 609 . 10 1 1 A 50 50 LEU HA H 45 4.206 4.095 0.111 1
2 610 . 10 1 1 A 50 50 LEU CB C 45 41.937 41.811 0.126 1
2 623 . 10 1 1 A 50 50 LEU C C 45 177.840 178.716 -0.876 1
2 624 . 10 1 1 A 51 51 LEU N N 46 115.880 118.650 -2.770 1
2 625 . 10 1 1 A 51 51 LEU H H 46 7.642 7.958 -0.316 1
2 626 . 10 1 1 A 51 51 LEU CA C 46 54.861 56.280 -1.419 1
2 627 . 10 1 1 A 51 51 LEU HA H 46 4.260 4.191 0.069 1
2 628 . 10 1 1 A 51 51 LEU CB C 46 42.228 41.917 0.311 1
2 638 . 10 1 1 A 51 51 LEU C C 46 176.015 177.526 -1.511 1
2 639 . 10 1 1 A 52 52 THR N N 47 109.201 112.863 -3.662 1
2 640 . 10 1 1 A 52 52 THR H H 47 7.515 7.437 0.078 1
2 641 . 10 1 1 A 52 52 THR CA C 47 60.972 64.591 -3.619 1
2 642 . 10 1 1 A 52 52 THR HA H 47 4.345 4.288 0.057 1
2 643 . 10 1 1 A 52 52 THR CB C 47 69.620 69.400 0.220 1
2 649 . 10 1 1 A 52 52 THR C C 47 173.733 175.314 -1.581 1
2 650 . 10 1 1 A 53 53 ASP N N 48 122.188 118.780 3.408 1
2 651 . 10 1 1 A 53 53 ASP H H 48 8.280 8.137 0.143 1
2 652 . 10 1 1 A 53 53 ASP CA C 48 54.205 56.169 -1.964 1
2 653 . 10 1 1 A 53 53 ASP HA H 48 4.686 4.504 0.182 1
2 654 . 10 1 1 A 53 53 ASP CB C 48 40.766 40.490 0.276 1
2 658 . 10 1 1 A 53 53 ASP C C 48 176.000 176.726 -0.726 1
2 659 . 10 1 1 A 54 54 GLU N N 49 121.966 118.779 3.187 1
2 660 . 10 1 1 A 54 54 GLU H H 49 8.589 7.757 0.832 1
2 661 . 10 1 1 A 54 54 GLU CA C 49 56.448 55.500 0.948 1
2 662 . 10 1 1 A 54 54 GLU HA H 49 4.234 4.595 -0.361 1
2 663 . 10 1 1 A 54 54 GLU CB C 49 29.642 30.824 -1.182 1
2 669 . 10 1 1 A 54 54 GLU C C 49 176.522 176.735 -0.213 1
2 670 . 10 1 1 A 55 55 GLN N N 50 120.727 119.118 1.609 1
2 671 . 10 1 1 A 55 55 GLN H H 50 8.642 7.906 0.736 1
2 672 . 10 1 1 A 55 55 GLN CA C 50 56.251 55.385 0.866 1
2 673 . 10 1 1 A 55 55 GLN HA H 50 4.217 4.200 0.017 1
2 674 . 10 1 1 A 55 55 GLN CB C 50 28.555 29.063 -0.508 1
2 684 . 10 1 1 A 55 55 GLN C C 50 176.519 176.898 -0.379 1
2 685 . 10 1 1 A 56 56 GLY N N 51 109.357 108.426 0.931 1
2 686 . 10 1 1 A 56 56 GLY H H 51 8.519 7.824 0.695 1
2 687 . 10 1 1 A 56 56 GLY CA C 51 45.276 46.338 -1.062 1
2 688 . 10 1 1 A 56 56 GLY HA2 H 51 3.950 3.951 -0.001 1
2 689 . 10 1 1 A 56 56 GLY HA3 H 51 3.809 3.968 -0.159 1
2 690 . 10 1 1 A 56 56 GLY C C 51 174.146 175.091 -0.945 1
2 691 . 10 1 1 A 57 57 GLN N N 52 119.207 117.426 1.781 1
2 692 . 10 1 1 A 57 57 GLN H H 52 8.263 8.193 0.070 1
2 693 . 10 1 1 A 57 57 GLN CA C 52 55.572 57.260 -1.688 1
2 694 . 10 1 1 A 57 57 GLN HA H 52 4.203 4.308 -0.105 1
2 695 . 10 1 1 A 57 57 GLN CB C 52 28.656 29.416 -0.760 1
2 705 . 10 1 1 A 57 57 GLN C C 52 175.872 177.151 -1.279 1
2 706 . 10 1 1 A 58 58 ARG N N 53 120.525 114.513 6.012 1
2 707 . 10 1 1 A 58 58 ARG H H 53 8.279 7.978 0.301 1
2 708 . 10 1 1 A 58 58 ARG CA C 53 55.883 55.498 0.385 1
2 709 . 10 1 1 A 58 58 ARG HA H 53 4.176 4.676 -0.500 1
2 710 . 10 1 1 A 58 58 ARG CB C 53 30.031 30.564 -0.533 1
2 721 . 10 1 1 A 58 58 ARG C C 53 175.820 175.397 0.423 1
2 722 . 10 1 1 A 59 59 HIS N N 54 118.905 118.286 0.619 1
2 723 . 10 1 1 A 59 59 HIS H H 54 8.398 7.824 0.574 1
2 724 . 10 1 1 A 59 59 HIS CA C 54 54.908 56.341 -1.433 1
2 725 . 10 1 1 A 59 59 HIS HA H 54 4.548 4.762 -0.214 1
2 726 . 10 1 1 A 59 59 HIS CB C 54 28.953 32.708 -3.755 1
2 729 . 10 1 1 A 59 59 HIS C C 54 174.136 173.184 0.952 1
2 730 . 10 1 1 A 60 60 HIS N N 55 119.527 121.702 -2.175 1
2 731 . 10 1 1 A 60 60 HIS H H 55 8.493 8.481 0.012 1
2 732 . 10 1 1 A 60 60 HIS CA C 55 55.274 55.820 -0.546 1
2 733 . 10 1 1 A 60 60 HIS HA H 55 4.552 3.911 0.641 1
2 734 . 10 1 1 A 60 60 HIS CB C 55 28.913 29.182 -0.269 1
2 737 . 10 1 1 A 60 60 HIS C C 55 174.595 175.086 -0.491 1
2 738 . 10 1 1 A 61 61 GLY N N 56 110.215 109.225 0.990 1
2 739 . 10 1 1 A 61 61 GLY H H 56 8.604 7.898 0.706 1
2 740 . 10 1 1 A 61 61 GLY CA C 56 44.977 45.541 -0.564 1
2 741 . 10 1 1 A 61 61 GLY HA2 H 56 3.956 3.846 0.110 1
2 742 . 10 1 1 A 61 61 GLY HA3 H 56 3.831 3.949 -0.118 1
2 743 . 10 1 1 A 61 61 GLY C C 56 173.752 174.469 -0.717 1
2 744 . 10 1 1 A 62 62 TRP N N 57 120.700 121.213 -0.513 1
2 745 . 10 1 1 A 62 62 TRP H H 57 8.175 7.405 0.770 1
2 746 . 10 1 1 A 62 62 TRP CA C 57 56.929 57.678 -0.749 1
2 747 . 10 1 1 A 62 62 TRP HA H 57 4.663 4.772 -0.109 1
2 748 . 10 1 1 A 62 62 TRP CB C 57 29.142 30.737 -1.595 1
2 763 . 10 1 1 A 62 62 TRP C C 57 176.442 177.273 -0.831 1
2 764 . 10 1 1 A 63 63 GLY N N 58 110.195 109.336 0.859 1
2 765 . 10 1 1 A 63 63 GLY H H 58 8.452 8.493 -0.041 1
2 766 . 10 1 1 A 63 63 GLY CA C 58 45.052 46.699 -1.647 1
2 767 . 10 1 1 A 63 63 GLY HA2 H 58 3.925 4.008 -0.083 1
2 768 . 10 1 1 A 63 63 GLY HA3 H 58 3.833 4.100 -0.267 1
2 769 . 10 1 1 A 63 63 GLY C C 58 173.738 174.391 -0.653 1
2 770 . 10 1 1 A 64 64 ARG N N 59 120.374 119.731 0.643 1
2 771 . 10 1 1 A 64 64 ARG H H 59 8.136 8.233 -0.097 1
2 772 . 10 1 1 A 64 64 ARG CA C 59 55.799 57.015 -1.216 1
2 773 . 10 1 1 A 64 64 ARG HA H 59 4.287 4.083 0.204 1
2 774 . 10 1 1 A 64 64 ARG CB C 59 30.371 29.345 1.026 1
2 785 . 10 1 1 A 64 64 ARG C C 59 176.287 175.295 0.992 1
2 786 . 10 1 1 A 65 65 LYS N N 60 121.593 118.652 2.941 1
2 787 . 10 1 1 A 65 65 LYS H H 60 8.483 8.437 0.046 1
2 788 . 10 1 1 A 65 65 LYS CA C 60 56.353 57.158 -0.805 1
2 789 . 10 1 1 A 65 65 LYS HA H 60 4.218 4.031 0.187 1
2 790 . 10 1 1 A 65 65 LYS CB C 60 32.260 30.885 1.375 1
2 796 . 10 1 1 A 65 65 LYS C C 60 176.102 177.408 -1.306 1
2 797 . 10 1 1 A 66 66 ASN N N 61 118.654 118.066 0.588 1
2 798 . 10 1 1 A 66 66 ASN H H 61 8.413 8.235 0.178 1
2 799 . 10 1 1 A 66 66 ASN CA C 61 53.055 52.146 0.909 1
2 800 . 10 1 1 A 66 66 ASN HA H 61 4.639 4.689 -0.050 1
2 801 . 10 1 1 A 66 66 ASN CB C 61 38.385 37.667 0.718 1
2 808 . 10 1 1 A 66 66 ASN C C 61 174.531 174.998 -0.467 1
2 809 . 10 1 1 A 67 67 SER N N 62 115.491 111.429 4.062 1
2 810 . 10 1 1 A 67 67 SER H H 62 8.288 8.284 0.004 1
2 811 . 10 1 1 A 67 67 SER CA C 62 57.980 59.462 -1.482 1
2 812 . 10 1 1 A 67 67 SER HA H 62 4.283 4.260 0.023 1
2 813 . 10 1 1 A 67 67 SER CB C 62 63.205 61.169 2.036 1
2 816 . 10 1 1 A 67 67 SER C C 62 173.864 173.922 -0.058 1
2 817 . 10 1 1 A 68 68 LEU N N 63 123.549 115.910 7.639 1
2 818 . 10 1 1 A 68 68 LEU H H 63 8.063 7.866 0.197 1
2 819 . 10 1 1 A 68 68 LEU CA C 63 54.098 54.038 0.060 1
2 820 . 10 1 1 A 68 68 LEU HA H 63 4.481 4.583 -0.102 1
2 821 . 10 1 1 A 68 68 LEU CB C 63 42.494 42.652 -0.158 1
2 834 . 10 1 1 A 68 68 LEU C C 63 176.532 175.853 0.679 1
2 835 . 10 1 1 A 69 69 THR N N 64 112.637 110.074 2.563 1
2 836 . 10 1 1 A 69 69 THR H H 64 7.797 7.403 0.394 1
2 837 . 10 1 1 A 69 69 THR CA C 64 59.915 59.625 0.290 1
2 838 . 10 1 1 A 69 69 THR HA H 64 4.490 4.690 -0.200 1
2 839 . 10 1 1 A 69 69 THR CB C 64 70.852 72.314 -1.462 1
2 845 . 10 1 1 A 69 69 THR C C 64 174.998 175.104 -0.106 1
2 846 . 10 1 1 A 70 70 LYS N N 65 120.128 121.701 -1.573 1
2 847 . 10 1 1 A 70 70 LYS H H 65 9.059 9.268 -0.209 1
2 848 . 10 1 1 A 70 70 LYS CA C 65 59.535 60.170 -0.635 1
2 849 . 10 1 1 A 70 70 LYS HA H 65 3.909 3.927 -0.018 1
2 850 . 10 1 1 A 70 70 LYS CB C 65 31.890 31.986 -0.096 1
2 858 . 10 1 1 A 70 70 LYS C C 65 177.536 178.732 -1.196 1
2 859 . 10 1 1 A 71 71 GLU N N 66 117.667 120.682 -3.015 1
2 860 . 10 1 1 A 71 71 GLU H H 66 8.699 8.529 0.170 1
2 861 . 10 1 1 A 71 71 GLU CA C 66 60.199 59.340 0.859 1
2 862 . 10 1 1 A 71 71 GLU HA H 66 3.806 4.077 -0.271 1
2 863 . 10 1 1 A 71 71 GLU CB C 66 27.986 29.695 -1.709 1
2 870 . 10 1 1 A 71 71 GLU C C 66 178.416 179.154 -0.738 1
2 871 . 10 1 1 A 72 72 ALA N N 67 123.924 122.812 1.112 1
2 872 . 10 1 1 A 72 72 ALA H H 67 7.992 7.611 0.381 1
2 873 . 10 1 1 A 72 72 ALA CA C 67 54.477 54.984 -0.507 1
2 874 . 10 1 1 A 72 72 ALA HA H 67 4.110 4.090 0.020 1
2 878 . 10 1 1 A 72 72 ALA CB C 67 18.301 18.438 -0.137 1
2 879 . 10 1 1 A 72 72 ALA C C 67 178.721 179.565 -0.844 1
2 880 . 10 1 1 A 73 73 VAL N N 68 119.434 117.881 1.553 1
2 881 . 10 1 1 A 73 73 VAL H H 68 8.044 8.044 0.000 1
2 882 . 10 1 1 A 73 73 VAL CA C 68 66.089 66.668 -0.579 1
2 883 . 10 1 1 A 73 73 VAL HA H 68 3.473 3.550 -0.077 1
2 884 . 10 1 1 A 73 73 VAL CB C 68 31.150 31.597 -0.447 1
2 894 . 10 1 1 A 73 73 VAL C C 68 177.001 178.487 -1.486 1
2 895 . 10 1 1 A 74 74 ALA N N 69 120.671 121.575 -0.904 1
2 896 . 10 1 1 A 74 74 ALA H H 69 8.407 8.090 0.317 1
2 897 . 10 1 1 A 74 74 ALA CA C 69 54.727 55.134 -0.407 1
2 898 . 10 1 1 A 74 74 ALA HA H 69 3.968 4.048 -0.080 1
2 902 . 10 1 1 A 74 74 ALA CB C 69 18.066 18.112 -0.046 1
2 903 . 10 1 1 A 74 74 ALA C C 69 178.820 179.309 -0.489 1
2 904 . 10 1 1 A 75 75 LYS N N 70 118.624 118.142 0.482 1
2 905 . 10 1 1 A 75 75 LYS H H 70 7.930 7.954 -0.024 1
2 906 . 10 1 1 A 75 75 LYS CA C 70 58.807 60.175 -1.368 1
2 907 . 10 1 1 A 75 75 LYS HA H 70 4.086 3.922 0.164 1
2 908 . 10 1 1 A 75 75 LYS CB C 70 31.776 32.260 -0.484 1
2 918 . 10 1 1 A 75 75 LYS C C 70 177.424 178.619 -1.195 1
2 919 . 10 1 1 A 76 76 ILE N N 71 120.234 119.646 0.588 1
2 920 . 10 1 1 A 76 76 ILE H H 71 7.478 7.810 -0.332 1
2 921 . 10 1 1 A 76 76 ILE CA C 71 64.885 64.958 -0.073 1
2 922 . 10 1 1 A 76 76 ILE HA H 71 3.960 3.627 0.333 1
2 923 . 10 1 1 A 76 76 ILE CB C 71 37.810 37.903 -0.093 1
2 936 . 10 1 1 A 76 76 ILE C C 71 179.734 177.599 2.135 1
2 937 . 10 1 1 A 77 77 VAL N N 72 122.502 119.464 3.038 1
2 938 . 10 1 1 A 77 77 VAL H H 72 8.325 7.796 0.529 1
2 939 . 10 1 1 A 77 77 VAL CA C 72 67.450 66.462 0.988 1
2 940 . 10 1 1 A 77 77 VAL HA H 72 3.576 3.331 0.245 1
2 941 . 10 1 1 A 77 77 VAL CB C 72 30.928 31.518 -0.590 1
2 951 . 10 1 1 A 77 77 VAL C C 72 176.906 177.311 -0.405 1
2 952 . 10 1 1 A 78 78 ASP N N 73 120.524 120.328 0.196 1
2 953 . 10 1 1 A 78 78 ASP H H 73 8.798 8.131 0.667 1
2 954 . 10 1 1 A 78 78 ASP CA C 73 58.206 57.358 0.848 1
2 955 . 10 1 1 A 78 78 ASP HA H 73 4.379 4.484 -0.105 1
2 956 . 10 1 1 A 78 78 ASP CB C 73 41.420 40.623 0.797 1
2 960 . 10 1 1 A 78 78 ASP C C 73 178.068 178.716 -0.648 1
2 961 . 10 1 1 A 79 79 ASP N N 74 119.761 119.356 0.405 1
2 962 . 10 1 1 A 79 79 ASP H H 74 9.318 8.001 1.317 1
2 963 . 10 1 1 A 79 79 ASP CA C 74 57.025 57.432 -0.407 1
2 964 . 10 1 1 A 79 79 ASP HA H 74 4.404 4.330 0.074 1
2 965 . 10 1 1 A 79 79 ASP CB C 74 40.007 41.024 -1.017 1
2 969 . 10 1 1 A 79 79 ASP C C 74 178.813 178.697 0.116 1
2 970 . 10 1 1 A 80 80 THR N N 75 117.342 116.157 1.185 1
2 971 . 10 1 1 A 80 80 THR H H 75 8.084 8.123 -0.039 1
2 972 . 10 1 1 A 80 80 THR CA C 75 66.977 66.382 0.595 1
2 973 . 10 1 1 A 80 80 THR HA H 75 3.826 3.832 -0.006 1
2 974 . 10 1 1 A 80 80 THR CB C 75 67.725 68.191 -0.466 1
2 980 . 10 1 1 A 80 80 THR C C 75 175.367 176.037 -0.670 1
2 981 . 10 1 1 A 81 81 TYR N N 76 123.732 121.841 1.891 1
2 982 . 10 1 1 A 81 81 TYR H H 76 8.830 8.278 0.552 1
2 983 . 10 1 1 A 81 81 TYR CA C 76 61.713 61.909 -0.196 1
2 984 . 10 1 1 A 81 81 TYR HA H 76 4.265 4.413 -0.148 1
2 985 . 10 1 1 A 81 81 TYR CB C 76 38.849 38.941 -0.092 1
2 994 . 10 1 1 A 81 81 TYR C C 76 176.700 177.714 -1.014 1
2 995 . 10 1 1 A 82 82 ARG N N 77 118.508 118.190 0.318 1
2 996 . 10 1 1 A 82 82 ARG H H 77 8.754 8.729 0.025 1
2 997 . 10 1 1 A 82 82 ARG CA C 77 58.792 59.589 -0.797 1
2 998 . 10 1 1 A 82 82 ARG HA H 77 3.890 4.031 -0.141 1
2 999 . 10 1 1 A 82 82 ARG CB C 77 29.498 30.164 -0.666 1
2 1015 . 10 1 1 A 82 82 ARG C C 77 178.748 178.903 -0.155 1
2 1016 . 10 1 1 A 83 83 LYS N N 78 118.079 118.896 -0.817 1
2 1017 . 10 1 1 A 83 83 LYS H H 78 7.696 7.959 -0.263 1
2 1018 . 10 1 1 A 83 83 LYS CA C 78 58.671 58.781 -0.110 1
2 1019 . 10 1 1 A 83 83 LYS HA H 78 4.024 4.110 -0.086 1
2 1020 . 10 1 1 A 83 83 LYS CB C 78 32.057 32.044 0.013 1
2 1026 . 10 1 1 A 83 83 LYS C C 78 177.743 178.954 -1.211 1
2 1027 . 10 1 1 A 84 84 MET N N 79 118.241 119.246 -1.005 1
2 1028 . 10 1 1 A 84 84 MET H H 79 7.748 8.079 -0.331 1
2 1029 . 10 1 1 A 84 84 MET CA C 79 57.209 58.452 -1.243 1
2 1030 . 10 1 1 A 84 84 MET HA H 79 4.170 4.183 -0.013 1
2 1031 . 10 1 1 A 84 84 MET CB C 79 32.320 32.647 -0.327 1
2 1041 . 10 1 1 A 84 84 MET C C 79 177.036 177.356 -0.320 1
2 1042 . 10 1 1 A 85 85 GLN N N 80 117.242 115.502 1.740 1
2 1043 . 10 1 1 A 85 85 GLN H H 80 7.843 7.565 0.278 1
2 1044 . 10 1 1 A 85 85 GLN CA C 80 56.523 54.949 1.574 1
2 1045 . 10 1 1 A 85 85 GLN HA H 80 3.993 4.441 -0.448 1
2 1046 . 10 1 1 A 85 85 GLN CB C 80 28.240 30.583 -2.343 1
2 1056 . 10 1 1 A 85 85 GLN C C 80 176.690 176.008 0.682 1
2 1057 . 10 1 1 A 86 86 ILE N N 81 119.178 117.633 1.545 1
2 1058 . 10 1 1 A 86 86 ILE H H 81 7.715 7.995 -0.280 1
2 1059 . 10 1 1 A 86 86 ILE CA C 81 62.073 64.052 -1.979 1
2 1060 . 10 1 1 A 86 86 ILE HA H 81 3.934 4.222 -0.288 1
2 1061 . 10 1 1 A 86 86 ILE CB C 81 37.966 35.969 1.997 1
2 1074 . 10 1 1 A 86 86 ILE C C 81 176.673 175.547 1.126 1
2 1075 . 10 1 1 A 87 87 GLN N N 82 121.386 120.900 0.486 1
2 1076 . 10 1 1 A 87 87 GLN H H 82 8.164 8.941 -0.777 1
2 1077 . 10 1 1 A 87 87 GLN CA C 82 55.968 58.297 -2.329 1
2 1078 . 10 1 1 A 87 87 GLN HA H 82 4.214 4.212 0.002 1
2 1079 . 10 1 1 A 87 87 GLN CB C 82 28.735 28.497 0.238 1
2 1088 . 10 1 1 A 87 87 GLN C C 82 175.836 175.014 0.822 1
2 1089 . 10 1 1 A 88 88 CYS N N 83 118.663 123.219 -4.556 1
2 1090 . 10 1 1 A 88 88 CYS H H 83 8.238 8.367 -0.129 1
2 1091 . 10 1 1 A 88 88 CYS CA C 83 57.997 58.283 -0.286 1
2 1092 . 10 1 1 A 88 88 CYS HA H 83 4.467 4.709 -0.242 1
2 1093 . 10 1 1 A 88 88 CYS CB C 83 27.582 28.251 -0.669 1
2 1096 . 10 1 1 A 88 88 CYS C C 83 173.432 174.375 -0.943 1
2 1097 . 10 1 1 A 89 89 ALA N N 84 127.014 120.564 6.450 1
2 1098 . 10 1 1 A 89 89 ALA H H 84 8.249 8.212 0.037 1
2 1099 . 10 1 1 A 89 89 ALA CA C 84 50.607 52.708 -2.101 1
2 1100 . 10 1 1 A 89 89 ALA HA H 84 4.544 4.098 0.446 1
2 1104 . 10 1 1 A 89 89 ALA CB C 84 17.658 17.701 -0.043 1
2 1105 . 10 1 1 A 89 89 ALA C C 84 175.125 178.028 -2.903 1
2 1107 . 10 1 1 A 90 90 PRO CA C 85 62.995 63.482 -0.487 1
2 1108 . 10 1 1 A 90 90 PRO HA H 85 4.373 4.384 -0.011 1
2 1109 . 10 1 1 A 90 90 PRO CB C 85 31.692 32.050 -0.358 1
2 1117 . 10 1 1 A 90 90 PRO C C 85 176.407 177.046 -0.639 1
2 1118 . 10 1 1 A 91 91 ASP N N 86 119.209 118.719 0.490 1
2 1119 . 10 1 1 A 91 91 ASP H H 86 8.429 8.125 0.304 1
2 1120 . 10 1 1 A 91 91 ASP CA C 86 53.752 54.863 -1.111 1
2 1121 . 10 1 1 A 91 91 ASP HA H 86 4.394 4.339 0.055 1
2 1122 . 10 1 1 A 91 91 ASP CB C 86 40.319 39.128 1.191 1
2 1125 . 10 1 1 A 91 91 ASP C C 86 176.101 176.929 -0.828 1
2 1126 . 10 1 1 A 92 92 LEU N N 87 122.571 121.065 1.506 1
2 1127 . 10 1 1 A 92 92 LEU H H 87 8.208 8.088 0.120 1
2 1128 . 10 1 1 A 92 92 LEU CA C 87 55.286 55.422 -0.136 1
2 1129 . 10 1 1 A 92 92 LEU HA H 87 4.204 4.119 0.085 1
2 1130 . 10 1 1 A 92 92 LEU CB C 87 41.786 41.792 -0.006 1
2 1143 . 10 1 1 A 92 92 LEU C C 87 177.406 176.154 1.252 1
2 1144 . 10 1 1 A 93 93 ALA N N 88 123.131 120.554 2.577 1
2 1145 . 10 1 1 A 93 93 ALA H H 88 8.305 7.469 0.836 1
2 1146 . 10 1 1 A 93 93 ALA CA C 88 52.876 53.000 -0.124 1
2 1147 . 10 1 1 A 93 93 ALA HA H 88 4.263 4.075 0.188 1
2 1151 . 10 1 1 A 93 93 ALA CB C 88 18.672 17.285 1.387 1
2 1152 . 10 1 1 A 93 93 ALA C C 88 178.033 176.707 1.326 1
2 1153 . 10 1 1 A 94 94 THR N N 89 112.097 107.178 4.919 1
2 1154 . 10 1 1 A 94 94 THR H H 89 7.994 8.062 -0.068 1
2 1155 . 10 1 1 A 94 94 THR CA C 89 61.640 61.918 -0.278 1
2 1156 . 10 1 1 A 94 94 THR HA H 89 4.251 4.635 -0.384 1
2 1157 . 10 1 1 A 94 94 THR CB C 89 69.063 69.345 -0.282 1
2 1163 . 10 1 1 A 94 94 THR C C 89 174.493 174.614 -0.121 1
2 1164 . 10 1 1 A 95 95 ARG N N 90 122.704 119.599 3.105 1
2 1165 . 10 1 1 A 95 95 ARG H H 90 8.211 8.457 -0.246 1
2 1166 . 10 1 1 A 95 95 ARG CA C 90 55.718 57.245 -1.527 1
2 1167 . 10 1 1 A 95 95 ARG HA H 90 4.324 3.960 0.364 1
2 1168 . 10 1 1 A 95 95 ARG CB C 90 30.309 28.013 2.296 1
2 1179 . 10 1 1 A 95 95 ARG C C 90 175.927 175.600 0.327 1
2 1180 . 10 1 1 A 96 96 SER N N 91 116.390 108.371 8.019 1
2 1181 . 10 1 1 A 96 96 SER H H 91 8.365 8.514 -0.149 1
2 1182 . 10 1 1 A 96 96 SER CA C 91 57.823 59.178 -1.355 1
2 1183 . 10 1 1 A 96 96 SER HA H 91 4.356 4.206 0.150 1
2 1184 . 10 1 1 A 96 96 SER CB C 91 63.214 61.648 1.566 1
2 1187 . 10 1 1 A 96 96 SER C C 91 174.011 174.244 -0.233 1
2 1188 . 10 1 1 A 97 97 HIS N N 92 120.507 124.418 -3.911 1
2 1189 . 10 1 1 A 97 97 HIS H H 92 8.541 8.084 0.457 1
2 1190 . 10 1 1 A 97 97 HIS CA C 92 54.960 58.956 -3.996 1
2 1191 . 10 1 1 A 97 97 HIS HA H 92 4.704 4.283 0.421 1
2 1192 . 10 1 1 A 97 97 HIS CB C 92 28.518 30.216 -1.698 1
2 1197 . 10 1 1 A 97 97 HIS C C 92 174.186 175.353 -1.167 1
2 1198 . 10 1 1 A 98 98 SER N N 93 116.801 109.078 7.723 1
2 1199 . 10 1 1 A 98 98 SER H H 93 8.455 7.668 0.787 1
2 1200 . 10 1 1 A 98 98 SER CA C 93 57.880 57.878 0.002 1
2 1201 . 10 1 1 A 98 98 SER HA H 93 4.445 4.888 -0.443 1
2 1202 . 10 1 1 A 98 98 SER CB C 93 63.434 65.400 -1.966 1
2 1205 . 10 1 1 A 98 98 SER C C 93 174.508 173.099 1.409 1
2 1206 . 10 1 1 A 99 99 GLY N N 94 111.114 111.851 -0.737 1
2 1207 . 10 1 1 A 99 99 GLY H H 94 8.597 8.679 -0.082 1
2 1208 . 10 1 1 A 99 99 GLY CA C 94 44.888 45.876 -0.988 1
2 1209 . 10 1 1 A 99 99 GLY HA2 H 94 3.998 4.293 -0.295 1
2 1210 . 10 1 1 A 99 99 GLY HA3 H 94 3.998 4.312 -0.314 1
2 1211 . 10 1 1 A 99 99 GLY C C 94 173.856 172.501 1.355 1
2 1212 . 10 1 1 A 100 100 SER N N 95 115.398 119.378 -3.980 1
2 1213 . 10 1 1 A 100 100 SER H H 95 8.311 9.014 -0.703 1
2 1214 . 10 1 1 A 100 100 SER CA C 95 57.888 56.059 1.829 1
2 1215 . 10 1 1 A 100 100 SER HA H 95 4.408 5.176 -0.768 1
2 1216 . 10 1 1 A 100 100 SER CB C 95 63.328 66.029 -2.701 1
2 1219 . 10 1 1 A 100 100 SER C C 95 173.725 173.975 -0.250 1
2 1220 . 10 1 1 A 101 101 ASP N N 96 121.810 123.643 -1.833 1
2 1221 . 10 1 1 A 101 101 ASP H H 96 8.380 8.898 -0.518 1
2 1222 . 10 1 1 A 101 101 ASP CA C 96 53.813 56.400 -2.587 1
2 1223 . 10 1 1 A 101 101 ASP HA H 96 4.536 4.540 -0.004 1
2 1224 . 10 1 1 A 101 101 ASP CB C 96 40.438 40.400 0.038 1
2 1227 . 10 1 1 A 101 101 ASP C C 96 175.524 176.737 -1.213 1
2 1228 . 10 1 1 A 102 102 PHE N N 97 120.706 116.210 4.496 1
2 1229 . 10 1 1 A 102 102 PHE H H 97 8.249 7.847 0.402 1
2 1230 . 10 1 1 A 102 102 PHE CA C 97 57.323 57.764 -0.441 1
2 1231 . 10 1 1 A 102 102 PHE HA H 97 4.527 4.636 -0.109 1
2 1232 . 10 1 1 A 102 102 PHE CB C 97 38.989 39.744 -0.755 1
2 1238 . 10 1 1 A 102 102 PHE C C 97 175.246 175.000 0.246 1
2 1239 . 10 1 1 A 103 103 SER N N 98 116.992 113.014 3.978 1
2 1240 . 10 1 1 A 103 103 SER H H 98 8.167 8.249 -0.082 1
2 1241 . 10 1 1 A 103 103 SER CA C 98 57.883 59.580 -1.697 1
2 1242 . 10 1 1 A 103 103 SER HA H 98 4.317 4.346 -0.029 1
2 1243 . 10 1 1 A 103 103 SER CB C 98 63.301 62.062 1.239 1
2 1246 . 10 1 1 A 103 103 SER C C 98 173.244 174.597 -1.353 1
2 1247 . 10 1 1 A 104 104 PHE N N 99 122.000 124.987 -2.987 1
2 1248 . 10 1 1 A 104 104 PHE H H 99 8.170 8.818 -0.648 1
2 1249 . 10 1 1 A 104 104 PHE CA C 99 57.236 58.802 -1.566 1
2 1250 . 10 1 1 A 104 104 PHE HA H 99 4.529 4.477 0.052 1
2 1251 . 10 1 1 A 104 104 PHE CB C 99 38.997 37.498 1.499 1
2 1257 . 10 1 1 A 104 104 PHE C C 99 174.632 174.986 -0.354 1
2 1258 . 10 1 1 A 105 105 ARG N N 100 124.796 119.648 5.148 1
2 1259 . 10 1 1 A 105 105 ARG H H 100 8.101 7.818 0.283 1
2 1260 . 10 1 1 A 105 105 ARG CA C 100 52.969 53.364 -0.395 1
2 1261 . 10 1 1 A 105 105 ARG HA H 100 4.516 4.551 -0.035 1
2 1262 . 10 1 1 A 105 105 ARG CB C 100 30.069 31.397 -1.328 1
2 1271 . 10 1 1 A 105 105 ARG C C 100 172.924 174.041 -1.117 1
2 1273 . 10 1 1 A 106 106 PRO CA C 101 62.673 62.204 0.469 1
2 1274 . 10 1 1 A 106 106 PRO HA H 101 4.351 4.521 -0.170 1
2 1275 . 10 1 1 A 106 106 PRO CB C 101 31.726 33.194 -1.468 1
2 1283 . 10 1 1 A 106 106 PRO C C 101 176.395 176.290 0.105 1
2 1284 . 10 1 1 A 107 107 ILE N N 102 121.380 120.592 0.788 1
2 1285 . 10 1 1 A 107 107 ILE H H 102 8.350 8.520 -0.170 1
2 1286 . 10 1 1 A 107 107 ILE CA C 102 60.940 60.433 0.507 1
2 1287 . 10 1 1 A 107 107 ILE HA H 102 4.039 4.517 -0.478 1
2 1288 . 10 1 1 A 107 107 ILE CB C 102 38.204 38.399 -0.195 1
2 1301 . 10 1 1 A 107 107 ILE C C 102 175.990 175.518 0.472 1
2 1302 . 10 1 1 A 108 108 GLU N N 103 124.836 120.724 4.112 1
2 1303 . 10 1 1 A 108 108 GLU H H 103 8.578 8.019 0.559 1
2 1304 . 10 1 1 A 108 108 GLU CA C 103 55.883 57.313 -1.430 1
2 1305 . 10 1 1 A 108 108 GLU HA H 103 4.280 3.925 0.355 1
2 1306 . 10 1 1 A 108 108 GLU CB C 103 29.902 28.414 1.488 1
2 1312 . 10 1 1 A 108 108 GLU C C 103 175.670 175.335 0.335 1
2 1313 . 10 1 1 A 109 109 GLU N N 104 122.847 119.128 3.719 1
2 1314 . 10 1 1 A 109 109 GLU H H 104 8.459 8.103 0.356 1
2 1315 . 10 1 1 A 109 109 GLU CA C 104 55.902 55.335 0.567 1
2 1316 . 10 1 1 A 109 109 GLU HA H 104 4.267 4.499 -0.232 1
2 1317 . 10 1 1 A 109 109 GLU CB C 104 29.985 27.897 2.088 1
2 1322 . 10 1 1 A 109 109 GLU C C 104 174.661 177.097 -2.436 1
2 3 . 11 1 1 A 2 2 SER N N -4 115.528 121.450 -5.922 1
2 4 . 11 1 1 A 2 2 SER H H -4 8.751 8.501 0.250 1
2 5 . 11 1 1 A 2 2 SER CA C -4 57.687 57.306 0.381 1
2 6 . 11 1 1 A 2 2 SER HA H -4 4.451 4.718 -0.267 1
2 7 . 11 1 1 A 2 2 SER CB C -4 63.389 62.499 0.890 1
2 8 . 11 1 1 A 2 2 SER C C -4 173.913 173.452 0.461 1
2 9 . 11 1 1 A 3 3 HIS N N -3 120.998 116.545 4.453 1
2 10 . 11 1 1 A 3 3 HIS H H -3 8.769 8.781 -0.012 1
2 11 . 11 1 1 A 3 3 HIS CA C -3 55.010 57.118 -2.108 1
2 12 . 11 1 1 A 3 3 HIS HA H -3 4.707 4.081 0.626 1
2 13 . 11 1 1 A 3 3 HIS CB C -3 28.916 27.585 1.331 1
2 16 . 11 1 1 A 3 3 HIS C C -3 174.207 175.126 -0.919 1
2 17 . 11 1 1 A 4 4 MET N N -2 122.227 114.079 8.148 1
2 18 . 11 1 1 A 4 4 MET H H -2 8.518 8.365 0.153 1
2 19 . 11 1 1 A 4 4 MET CA C -2 55.014 56.407 -1.393 1
2 20 . 11 1 1 A 4 4 MET HA H -2 4.418 4.017 0.401 1
2 21 . 11 1 1 A 4 4 MET CB C -2 32.678 31.337 1.341 1
2 31 . 11 1 1 A 4 4 MET C C -2 175.481 174.997 0.484 1
2 49 . 11 1 1 A 7 7 ALA N N 2 124.549 122.371 2.178 1
2 50 . 11 1 1 A 7 7 ALA H H 2 8.453 7.782 0.671 1
2 51 . 11 1 1 A 7 7 ALA CA C 2 53.221 54.806 -1.585 1
2 52 . 11 1 1 A 7 7 ALA HA H 2 4.194 4.131 0.063 1
2 56 . 11 1 1 A 7 7 ALA CB C 2 18.431 18.377 0.054 1
2 57 . 11 1 1 A 7 7 ALA C C 2 178.162 179.427 -1.265 1
2 58 . 11 1 1 A 8 8 ASP N N 3 118.618 118.071 0.547 1
2 59 . 11 1 1 A 8 8 ASP H H 3 8.064 8.051 0.013 1
2 60 . 11 1 1 A 8 8 ASP CA C 3 54.124 56.825 -2.701 1
2 61 . 11 1 1 A 8 8 ASP HA H 3 4.539 4.372 0.167 1
2 62 . 11 1 1 A 8 8 ASP CB C 3 40.341 40.953 -0.612 1
2 65 . 11 1 1 A 8 8 ASP C C 3 176.694 178.385 -1.691 1
2 66 . 11 1 1 A 9 9 LEU N N 4 123.427 120.528 2.899 1
2 67 . 11 1 1 A 9 9 LEU H H 4 8.202 7.688 0.514 1
2 68 . 11 1 1 A 9 9 LEU CA C 4 57.495 57.883 -0.388 1
2 69 . 11 1 1 A 9 9 LEU HA H 4 4.086 3.997 0.089 1
2 70 . 11 1 1 A 9 9 LEU CB C 4 41.905 41.550 0.355 1
2 82 . 11 1 1 A 9 9 LEU C C 4 178.839 178.662 0.177 1
2 83 . 11 1 1 A 10 10 VAL N N 5 119.385 119.257 0.128 1
2 84 . 11 1 1 A 10 10 VAL H H 5 8.186 8.325 -0.139 1
2 85 . 11 1 1 A 10 10 VAL CA C 5 66.585 66.677 -0.092 1
2 86 . 11 1 1 A 10 10 VAL HA H 5 3.420 3.473 -0.053 1
2 87 . 11 1 1 A 10 10 VAL CB C 5 31.177 31.573 -0.396 1
2 97 . 11 1 1 A 10 10 VAL C C 5 177.439 177.782 -0.343 1
2 98 . 11 1 1 A 11 11 SER N N 6 115.027 116.004 -0.977 1
2 99 . 11 1 1 A 11 11 SER H H 6 8.252 8.098 0.154 1
2 100 . 11 1 1 A 11 11 SER CA C 6 61.152 62.193 -1.041 1
2 101 . 11 1 1 A 11 11 SER HA H 6 4.055 4.088 -0.033 1
2 102 . 11 1 1 A 11 11 SER CB C 6 62.161 62.672 -0.511 1
2 105 . 11 1 1 A 11 11 SER C C 6 176.036 176.582 -0.546 1
2 106 . 11 1 1 A 12 12 SER N N 7 115.144 116.832 -1.688 1
2 107 . 11 1 1 A 12 12 SER H H 7 8.053 8.090 -0.037 1
2 108 . 11 1 1 A 12 12 SER CA C 7 60.168 61.477 -1.309 1
2 109 . 11 1 1 A 12 12 SER HA H 7 4.284 4.061 0.223 1
2 110 . 11 1 1 A 12 12 SER CB C 7 62.706 62.968 -0.262 1
2 113 . 11 1 1 A 12 12 SER C C 7 176.540 176.400 0.140 1
2 114 . 11 1 1 A 13 13 CYS N N 8 118.211 119.026 -0.815 1
2 115 . 11 1 1 A 13 13 CYS H H 8 7.919 8.399 -0.480 1
2 116 . 11 1 1 A 13 13 CYS CA C 8 63.651 63.957 -0.306 1
2 117 . 11 1 1 A 13 13 CYS HA H 8 4.026 4.034 -0.008 1
2 118 . 11 1 1 A 13 13 CYS CB C 8 26.641 26.931 -0.290 1
2 121 . 11 1 1 A 13 13 CYS C C 8 175.645 177.048 -1.403 1
2 122 . 11 1 1 A 14 14 LYS N N 9 120.074 121.205 -1.131 1
2 123 . 11 1 1 A 14 14 LYS H H 9 8.632 8.265 0.367 1
2 124 . 11 1 1 A 14 14 LYS CA C 9 60.441 59.613 0.828 1
2 125 . 11 1 1 A 14 14 LYS HA H 9 3.672 3.932 -0.260 1
2 126 . 11 1 1 A 14 14 LYS CB C 9 31.685 32.012 -0.327 1
2 138 . 11 1 1 A 14 14 LYS C C 9 177.615 177.872 -0.257 1
2 139 . 11 1 1 A 15 15 ASP N N 10 117.613 119.447 -1.834 1
2 140 . 11 1 1 A 15 15 ASP H H 10 7.732 8.096 -0.364 1
2 141 . 11 1 1 A 15 15 ASP CA C 10 56.175 57.281 -1.106 1
2 142 . 11 1 1 A 15 15 ASP HA H 10 4.307 4.199 0.108 1
2 143 . 11 1 1 A 15 15 ASP CB C 10 40.056 41.603 -1.547 1
2 146 . 11 1 1 A 15 15 ASP C C 10 177.650 178.443 -0.793 1
2 147 . 11 1 1 A 16 16 LYS N N 11 117.878 118.946 -1.068 1
2 148 . 11 1 1 A 16 16 LYS H H 11 7.254 7.709 -0.455 1
2 149 . 11 1 1 A 16 16 LYS CA C 11 58.962 58.779 0.183 1
2 150 . 11 1 1 A 16 16 LYS HA H 11 3.645 3.426 0.219 1
2 151 . 11 1 1 A 16 16 LYS CB C 11 32.951 31.784 1.167 1
2 160 . 11 1 1 A 16 16 LYS C C 11 177.263 177.892 -0.629 1
2 161 . 11 1 1 A 17 17 LEU N N 12 115.652 121.532 -5.880 1
2 162 . 11 1 1 A 17 17 LEU H H 12 8.138 8.320 -0.182 1
2 163 . 11 1 1 A 17 17 LEU CA C 12 56.726 57.876 -1.150 1
2 164 . 11 1 1 A 17 17 LEU HA H 12 3.579 4.314 -0.735 1
2 165 . 11 1 1 A 17 17 LEU CB C 12 41.959 41.166 0.793 1
2 176 . 11 1 1 A 17 17 LEU C C 12 177.485 178.356 -0.871 1
2 177 . 11 1 1 A 18 18 ALA N N 13 116.044 120.616 -4.572 1
2 178 . 11 1 1 A 18 18 ALA H H 13 7.080 8.466 -1.386 1
2 179 . 11 1 1 A 18 18 ALA CA C 13 53.389 54.354 -0.965 1
2 180 . 11 1 1 A 18 18 ALA HA H 13 3.963 4.066 -0.103 1
2 184 . 11 1 1 A 18 18 ALA CB C 13 18.161 18.824 -0.663 1
2 185 . 11 1 1 A 18 18 ALA C C 13 178.207 179.486 -1.279 1
2 186 . 11 1 1 A 19 19 TYR N N 14 115.556 119.587 -4.031 1
2 187 . 11 1 1 A 19 19 TYR H H 14 7.675 7.501 0.174 1
2 188 . 11 1 1 A 19 19 TYR CA C 14 58.647 60.060 -1.413 1
2 189 . 11 1 1 A 19 19 TYR HA H 14 4.304 4.204 0.100 1
2 190 . 11 1 1 A 19 19 TYR CB C 14 38.609 38.998 -0.389 1
2 199 . 11 1 1 A 19 19 TYR C C 14 175.911 175.893 0.018 1
2 200 . 11 1 1 A 20 20 PHE N N 15 118.275 119.286 -1.011 1
2 201 . 11 1 1 A 20 20 PHE H H 15 7.406 7.589 -0.183 1
2 202 . 11 1 1 A 20 20 PHE CA C 15 56.615 56.932 -0.317 1
2 203 . 11 1 1 A 20 20 PHE HA H 15 4.649 4.814 -0.165 1
2 204 . 11 1 1 A 20 20 PHE CB C 15 38.750 40.526 -1.776 1
2 215 . 11 1 1 A 20 20 PHE C C 15 176.160 175.888 0.272 1
2 216 . 11 1 1 A 21 21 ARG N N 16 119.140 123.830 -4.690 1
2 217 . 11 1 1 A 21 21 ARG H H 16 8.714 8.350 0.364 1
2 218 . 11 1 1 A 21 21 ARG CA C 16 54.349 56.111 -1.762 1
2 219 . 11 1 1 A 21 21 ARG HA H 16 4.751 4.268 0.483 1
2 220 . 11 1 1 A 21 21 ARG CB C 16 30.097 31.686 -1.589 1
2 236 . 11 1 1 A 21 21 ARG C C 16 177.095 177.781 -0.686 1
2 237 . 11 1 1 A 22 22 ILE N N 17 120.734 124.940 -4.206 1
2 238 . 11 1 1 A 22 22 ILE H H 17 8.708 8.815 -0.107 1
2 239 . 11 1 1 A 22 22 ILE CA C 17 65.145 64.738 0.407 1
2 240 . 11 1 1 A 22 22 ILE HA H 17 3.720 3.725 -0.005 1
2 241 . 11 1 1 A 22 22 ILE CB C 17 36.857 37.625 -0.768 1
2 254 . 11 1 1 A 22 22 ILE C C 17 176.745 177.999 -1.254 1
2 255 . 11 1 1 A 23 23 LYS N N 18 118.184 121.529 -3.345 1
2 256 . 11 1 1 A 23 23 LYS H H 18 8.267 8.225 0.042 1
2 257 . 11 1 1 A 23 23 LYS CA C 18 59.829 59.907 -0.078 1
2 258 . 11 1 1 A 23 23 LYS HA H 18 3.897 3.931 -0.034 1
2 259 . 11 1 1 A 23 23 LYS CB C 18 32.268 32.261 0.007 1
2 271 . 11 1 1 A 23 23 LYS C C 18 178.159 179.019 -0.860 1
2 272 . 11 1 1 A 24 24 GLU N N 19 117.654 119.463 -1.809 1
2 273 . 11 1 1 A 24 24 GLU H H 19 7.198 8.005 -0.807 1
2 274 . 11 1 1 A 24 24 GLU CA C 19 60.612 59.209 1.403 1
2 275 . 11 1 1 A 24 24 GLU HA H 19 4.030 4.069 -0.039 1
2 276 . 11 1 1 A 24 24 GLU CB C 19 28.859 29.564 -0.705 1
2 282 . 11 1 1 A 24 24 GLU C C 19 178.521 179.229 -0.708 1
2 283 . 11 1 1 A 25 25 LEU N N 20 119.236 120.208 -0.972 1
2 284 . 11 1 1 A 25 25 LEU H H 20 7.980 8.356 -0.376 1
2 285 . 11 1 1 A 25 25 LEU CA C 20 57.676 58.026 -0.350 1
2 286 . 11 1 1 A 25 25 LEU HA H 20 3.904 4.028 -0.124 1
2 287 . 11 1 1 A 25 25 LEU CB C 20 42.218 40.991 1.227 1
2 294 . 11 1 1 A 25 25 LEU C C 20 177.990 179.479 -1.489 1
2 295 . 11 1 1 A 26 26 LYS N N 21 117.457 121.336 -3.879 1
2 296 . 11 1 1 A 26 26 LYS H H 21 8.770 8.410 0.360 1
2 297 . 11 1 1 A 26 26 LYS CA C 21 60.660 59.580 1.080 1
2 298 . 11 1 1 A 26 26 LYS HA H 21 3.787 3.941 -0.154 1
2 299 . 11 1 1 A 26 26 LYS CB C 21 31.876 32.043 -0.167 1
2 300 . 11 1 1 A 26 26 LYS C C 21 177.625 178.777 -1.152 1
2 301 . 11 1 1 A 27 27 ASP N N 22 119.023 119.588 -0.565 1
2 302 . 11 1 1 A 27 27 ASP H H 22 7.671 8.144 -0.473 1
2 303 . 11 1 1 A 27 27 ASP CA C 22 56.974 57.097 -0.123 1
2 304 . 11 1 1 A 27 27 ASP HA H 22 4.392 4.512 -0.120 1
2 305 . 11 1 1 A 27 27 ASP CB C 22 40.250 40.714 -0.464 1
2 308 . 11 1 1 A 27 27 ASP C C 22 180.796 179.073 1.723 1
2 309 . 11 1 1 A 28 28 ILE N N 23 119.318 120.328 -1.010 1
2 310 . 11 1 1 A 28 28 ILE H H 23 8.039 7.912 0.127 1
2 311 . 11 1 1 A 28 28 ILE CA C 23 65.365 65.581 -0.216 1
2 312 . 11 1 1 A 28 28 ILE HA H 23 3.587 3.664 -0.077 1
2 313 . 11 1 1 A 28 28 ILE CB C 23 37.408 38.206 -0.798 1
2 326 . 11 1 1 A 28 28 ILE C C 23 177.265 178.312 -1.047 1
2 327 . 11 1 1 A 29 29 LEU N N 24 120.356 121.379 -1.023 1
2 328 . 11 1 1 A 29 29 LEU H H 24 8.220 8.255 -0.035 1
2 329 . 11 1 1 A 29 29 LEU CA C 24 58.562 58.264 0.298 1
2 330 . 11 1 1 A 29 29 LEU HA H 24 3.806 3.995 -0.189 1
2 331 . 11 1 1 A 29 29 LEU CB C 24 39.477 41.412 -1.935 1
2 339 . 11 1 1 A 29 29 LEU C C 24 178.572 178.357 0.215 1
2 340 . 11 1 1 A 30 30 ASN N N 25 117.446 117.247 0.199 1
2 341 . 11 1 1 A 30 30 ASN H H 25 8.688 8.502 0.186 1
2 342 . 11 1 1 A 30 30 ASN CA C 25 56.092 56.971 -0.879 1
2 343 . 11 1 1 A 30 30 ASN HA H 25 4.493 4.357 0.136 1
2 344 . 11 1 1 A 30 30 ASN CB C 25 38.809 39.109 -0.300 1
2 351 . 11 1 1 A 30 30 ASN C C 25 178.884 178.195 0.689 1
2 352 . 11 1 1 A 31 31 GLN N N 26 119.946 118.147 1.799 1
2 353 . 11 1 1 A 31 31 GLN H H 26 8.184 7.877 0.307 1
2 354 . 11 1 1 A 31 31 GLN CA C 26 58.786 58.741 0.045 1
2 355 . 11 1 1 A 31 31 GLN HA H 26 4.041 4.044 -0.003 1
2 356 . 11 1 1 A 31 31 GLN CB C 26 29.089 28.263 0.826 1
2 366 . 11 1 1 A 31 31 GLN C C 26 177.656 178.868 -1.212 1
2 367 . 11 1 1 A 32 32 LEU N N 27 116.979 115.235 1.744 1
2 368 . 11 1 1 A 32 32 LEU H H 27 7.893 7.805 0.088 1
2 369 . 11 1 1 A 32 32 LEU CA C 27 54.545 55.201 -0.656 1
2 370 . 11 1 1 A 32 32 LEU HA H 27 4.227 4.261 -0.034 1
2 371 . 11 1 1 A 32 32 LEU CB C 27 42.063 43.284 -1.221 1
2 382 . 11 1 1 A 32 32 LEU C C 27 175.733 177.395 -1.662 1
2 383 . 11 1 1 A 33 33 GLY N N 28 108.299 109.628 -1.329 1
2 384 . 11 1 1 A 33 33 GLY H H 28 7.834 7.498 0.336 1
2 385 . 11 1 1 A 33 33 GLY CA C 28 45.707 45.328 0.379 1
2 386 . 11 1 1 A 33 33 GLY HA2 H 28 3.952 4.021 -0.069 1
2 387 . 11 1 1 A 33 33 GLY HA3 H 28 3.952 4.027 -0.075 1
2 388 . 11 1 1 A 33 33 GLY C C 28 174.317 174.138 0.179 1
2 389 . 11 1 1 A 34 34 LEU N N 29 120.833 121.692 -0.859 1
2 390 . 11 1 1 A 34 34 LEU H H 29 7.986 8.068 -0.082 1
2 391 . 11 1 1 A 34 34 LEU CA C 29 51.558 52.102 -0.544 1
2 392 . 11 1 1 A 34 34 LEU HA H 29 4.744 4.714 0.030 1
2 393 . 11 1 1 A 34 34 LEU CB C 29 43.525 42.440 1.085 1
2 405 . 11 1 1 A 35 35 PRO CA C 30 62.707 62.314 0.393 1
2 406 . 11 1 1 A 35 35 PRO HA H 30 4.351 4.530 -0.179 1
2 407 . 11 1 1 A 35 35 PRO CB C 30 31.919 32.864 -0.945 1
2 415 . 11 1 1 A 35 35 PRO C C 30 177.488 177.106 0.382 1
2 416 . 11 1 1 A 36 36 LYS N N 31 117.590 121.020 -3.430 1
2 417 . 11 1 1 A 36 36 LYS H H 31 8.380 8.714 -0.334 1
2 418 . 11 1 1 A 36 36 LYS CA C 31 55.660 59.491 -3.831 1
2 419 . 11 1 1 A 36 36 LYS HA H 31 4.286 3.965 0.321 1
2 420 . 11 1 1 A 36 36 LYS CB C 31 33.239 32.108 1.131 1
2 430 . 11 1 1 A 36 36 LYS C C 31 174.384 176.791 -2.407 1
2 431 . 11 1 1 A 37 37 GLN N N 32 118.260 117.648 0.612 1
2 432 . 11 1 1 A 37 37 GLN H H 32 7.698 7.662 0.036 1
2 433 . 11 1 1 A 37 37 GLN CA C 32 55.550 55.067 0.483 1
2 434 . 11 1 1 A 37 37 GLN HA H 32 4.376 4.351 0.025 1
2 435 . 11 1 1 A 37 37 GLN CB C 32 28.221 29.897 -1.676 1
2 445 . 11 1 1 A 37 37 GLN C C 32 175.222 175.966 -0.744 1
2 446 . 11 1 1 A 38 38 GLY N N 33 109.855 108.347 1.508 1
2 447 . 11 1 1 A 38 38 GLY H H 33 8.449 8.707 -0.258 1
2 448 . 11 1 1 A 38 38 GLY CA C 33 43.235 45.328 -2.093 1
2 449 . 11 1 1 A 38 38 GLY HA2 H 33 4.566 4.125 0.441 1
2 450 . 11 1 1 A 38 38 GLY HA3 H 33 3.789 4.126 -0.337 1
2 451 . 11 1 1 A 38 38 GLY C C 33 173.603 174.215 -0.612 1
2 452 . 11 1 1 A 39 39 LYS N N 34 117.627 121.580 -3.953 1
2 453 . 11 1 1 A 39 39 LYS H H 34 8.649 8.204 0.445 1
2 454 . 11 1 1 A 39 39 LYS CA C 34 54.563 56.158 -1.595 1
2 455 . 11 1 1 A 39 39 LYS HA H 34 4.394 4.343 0.051 1
2 456 . 11 1 1 A 39 39 LYS CB C 34 32.892 33.193 -0.301 1
2 468 . 11 1 1 A 39 39 LYS C C 34 176.803 177.342 -0.539 1
2 469 . 11 1 1 A 40 40 LYS N N 35 121.705 119.507 2.198 1
2 470 . 11 1 1 A 40 40 LYS H H 35 8.920 8.879 0.041 1
2 471 . 11 1 1 A 40 40 LYS CA C 35 61.559 59.784 1.775 1
2 472 . 11 1 1 A 40 40 LYS HA H 35 3.597 3.915 -0.318 1
2 473 . 11 1 1 A 40 40 LYS CB C 35 31.953 32.139 -0.186 1
2 485 . 11 1 1 A 40 40 LYS C C 35 177.362 178.253 -0.891 1
2 486 . 11 1 1 A 41 41 GLN N N 36 114.637 118.877 -4.240 1
2 487 . 11 1 1 A 41 41 GLN H H 36 9.017 7.811 1.206 1
2 488 . 11 1 1 A 41 41 GLN CA C 36 57.638 58.640 -1.002 1
2 489 . 11 1 1 A 41 41 GLN HA H 36 3.719 4.055 -0.336 1
2 490 . 11 1 1 A 41 41 GLN CB C 36 27.865 28.427 -0.562 1
2 500 . 11 1 1 A 41 41 GLN C C 36 176.975 178.402 -1.427 1
2 501 . 11 1 1 A 42 42 ASP N N 37 115.984 120.008 -4.024 1
2 502 . 11 1 1 A 42 42 ASP H H 37 7.049 8.132 -1.083 1
2 503 . 11 1 1 A 42 42 ASP CA C 37 56.424 57.426 -1.002 1
2 504 . 11 1 1 A 42 42 ASP HA H 37 4.303 4.330 -0.027 1
2 505 . 11 1 1 A 42 42 ASP CB C 37 39.955 40.852 -0.897 1
2 508 . 11 1 1 A 42 42 ASP C C 37 178.454 179.021 -0.567 1
2 509 . 11 1 1 A 43 43 LEU N N 38 119.074 120.314 -1.240 1
2 510 . 11 1 1 A 43 43 LEU H H 38 7.725 8.262 -0.537 1
2 511 . 11 1 1 A 43 43 LEU CA C 38 57.716 58.006 -0.290 1
2 512 . 11 1 1 A 43 43 LEU HA H 38 3.794 3.954 -0.160 1
2 513 . 11 1 1 A 43 43 LEU CB C 38 40.211 42.197 -1.986 1
2 526 . 11 1 1 A 43 43 LEU C C 38 177.872 178.955 -1.083 1
2 527 . 11 1 1 A 44 44 ILE N N 39 118.343 118.339 0.004 1
2 528 . 11 1 1 A 44 44 ILE H H 39 7.867 8.123 -0.256 1
2 529 . 11 1 1 A 44 44 ILE CA C 39 66.211 65.504 0.707 1
2 530 . 11 1 1 A 44 44 ILE HA H 39 3.319 3.513 -0.194 1
2 531 . 11 1 1 A 44 44 ILE CB C 39 37.985 37.715 0.270 1
2 541 . 11 1 1 A 44 44 ILE C C 39 177.711 177.814 -0.103 1
2 542 . 11 1 1 A 45 45 ASP N N 40 118.535 120.406 -1.871 1
2 543 . 11 1 1 A 45 45 ASP H H 40 8.503 8.478 0.025 1
2 544 . 11 1 1 A 45 45 ASP CA C 40 56.817 57.260 -0.443 1
2 545 . 11 1 1 A 45 45 ASP HA H 40 4.256 4.429 -0.173 1
2 546 . 11 1 1 A 45 45 ASP CB C 40 39.815 41.593 -1.778 1
2 549 . 11 1 1 A 45 45 ASP C C 40 178.464 178.730 -0.266 1
2 550 . 11 1 1 A 46 46 ARG N N 41 120.910 119.310 1.600 1
2 551 . 11 1 1 A 46 46 ARG H H 41 7.717 7.781 -0.064 1
2 552 . 11 1 1 A 46 46 ARG CA C 41 59.054 59.657 -0.603 1
2 553 . 11 1 1 A 46 46 ARG HA H 41 3.993 4.049 -0.056 1
2 554 . 11 1 1 A 46 46 ARG CB C 41 29.778 30.780 -1.002 1
2 563 . 11 1 1 A 46 46 ARG C C 41 177.565 178.484 -0.919 1
2 564 . 11 1 1 A 47 47 VAL N N 42 117.438 119.523 -2.085 1
2 565 . 11 1 1 A 47 47 VAL H H 42 7.445 8.045 -0.600 1
2 566 . 11 1 1 A 47 47 VAL CA C 42 66.095 66.299 -0.204 1
2 567 . 11 1 1 A 47 47 VAL HA H 42 3.446 3.664 -0.218 1
2 568 . 11 1 1 A 47 47 VAL CB C 42 31.113 31.677 -0.564 1
2 578 . 11 1 1 A 47 47 VAL C C 42 177.710 178.021 -0.311 1
2 579 . 11 1 1 A 48 48 LEU N N 43 117.085 117.671 -0.586 1
2 580 . 11 1 1 A 48 48 LEU H H 43 8.466 8.155 0.311 1
2 581 . 11 1 1 A 48 48 LEU CA C 43 57.406 57.789 -0.383 1
2 582 . 11 1 1 A 48 48 LEU HA H 43 3.851 3.964 -0.113 1
2 583 . 11 1 1 A 48 48 LEU CB C 43 40.779 41.266 -0.487 1
2 596 . 11 1 1 A 48 48 LEU C C 43 179.581 179.668 -0.087 1
2 597 . 11 1 1 A 49 49 ALA N N 44 120.480 122.009 -1.529 1
2 598 . 11 1 1 A 49 49 ALA H H 44 7.952 7.987 -0.035 1
2 599 . 11 1 1 A 49 49 ALA CA C 44 53.998 54.780 -0.782 1
2 600 . 11 1 1 A 49 49 ALA HA H 44 4.104 4.103 0.001 1
2 604 . 11 1 1 A 49 49 ALA CB C 44 17.685 18.164 -0.479 1
2 605 . 11 1 1 A 49 49 ALA C C 44 178.926 179.427 -0.501 1
2 606 . 11 1 1 A 50 50 LEU N N 45 115.306 120.291 -4.985 1
2 607 . 11 1 1 A 50 50 LEU H H 45 7.428 7.717 -0.289 1
2 608 . 11 1 1 A 50 50 LEU CA C 45 55.650 57.598 -1.948 1
2 609 . 11 1 1 A 50 50 LEU HA H 45 4.206 4.110 0.096 1
2 610 . 11 1 1 A 50 50 LEU CB C 45 41.937 41.878 0.059 1
2 623 . 11 1 1 A 50 50 LEU C C 45 177.840 178.744 -0.904 1
2 624 . 11 1 1 A 51 51 LEU N N 46 115.880 118.741 -2.861 1
2 625 . 11 1 1 A 51 51 LEU H H 46 7.642 8.021 -0.379 1
2 626 . 11 1 1 A 51 51 LEU CA C 46 54.861 56.492 -1.631 1
2 627 . 11 1 1 A 51 51 LEU HA H 46 4.260 4.172 0.088 1
2 628 . 11 1 1 A 51 51 LEU CB C 46 42.228 41.837 0.391 1
2 638 . 11 1 1 A 51 51 LEU C C 46 176.015 177.649 -1.634 1
2 639 . 11 1 1 A 52 52 THR N N 47 109.201 113.054 -3.853 1
2 640 . 11 1 1 A 52 52 THR H H 47 7.515 7.516 -0.001 1
2 641 . 11 1 1 A 52 52 THR CA C 47 60.972 64.568 -3.596 1
2 642 . 11 1 1 A 52 52 THR HA H 47 4.345 4.288 0.057 1
2 643 . 11 1 1 A 52 52 THR CB C 47 69.620 69.368 0.252 1
2 649 . 11 1 1 A 52 52 THR C C 47 173.733 175.508 -1.775 1
2 650 . 11 1 1 A 53 53 ASP N N 48 122.188 119.294 2.894 1
2 651 . 11 1 1 A 53 53 ASP H H 48 8.280 8.228 0.052 1
2 652 . 11 1 1 A 53 53 ASP CA C 48 54.205 56.467 -2.262 1
2 653 . 11 1 1 A 53 53 ASP HA H 48 4.686 4.492 0.194 1
2 654 . 11 1 1 A 53 53 ASP CB C 48 40.766 40.345 0.421 1
2 658 . 11 1 1 A 53 53 ASP C C 48 176.000 176.697 -0.697 1
2 659 . 11 1 1 A 54 54 GLU N N 49 121.966 118.560 3.406 1
2 660 . 11 1 1 A 54 54 GLU H H 49 8.589 7.749 0.840 1
2 661 . 11 1 1 A 54 54 GLU CA C 49 56.448 55.543 0.905 1
2 662 . 11 1 1 A 54 54 GLU HA H 49 4.234 4.685 -0.451 1
2 663 . 11 1 1 A 54 54 GLU CB C 49 29.642 30.848 -1.206 1
2 669 . 11 1 1 A 54 54 GLU C C 49 176.522 176.761 -0.239 1
2 670 . 11 1 1 A 55 55 GLN N N 50 120.727 119.478 1.249 1
2 671 . 11 1 1 A 55 55 GLN H H 50 8.642 7.798 0.844 1
2 672 . 11 1 1 A 55 55 GLN CA C 50 56.251 56.745 -0.494 1
2 673 . 11 1 1 A 55 55 GLN HA H 50 4.217 4.104 0.113 1
2 674 . 11 1 1 A 55 55 GLN CB C 50 28.555 28.420 0.135 1
2 684 . 11 1 1 A 55 55 GLN C C 50 176.519 176.555 -0.036 1
2 685 . 11 1 1 A 56 56 GLY N N 51 109.357 107.754 1.603 1
2 686 . 11 1 1 A 56 56 GLY H H 51 8.519 7.372 1.147 1
2 687 . 11 1 1 A 56 56 GLY CA C 51 45.276 45.524 -0.248 1
2 688 . 11 1 1 A 56 56 GLY HA2 H 51 3.950 4.135 -0.185 1
2 689 . 11 1 1 A 56 56 GLY HA3 H 51 3.809 4.143 -0.334 1
2 690 . 11 1 1 A 56 56 GLY C C 51 174.146 175.213 -1.067 1
2 691 . 11 1 1 A 57 57 GLN N N 52 119.207 119.214 -0.007 1
2 692 . 11 1 1 A 57 57 GLN H H 52 8.263 8.389 -0.126 1
2 693 . 11 1 1 A 57 57 GLN CA C 52 55.572 59.048 -3.476 1
2 694 . 11 1 1 A 57 57 GLN HA H 52 4.203 3.927 0.276 1
2 695 . 11 1 1 A 57 57 GLN CB C 52 28.656 28.186 0.470 1
2 705 . 11 1 1 A 57 57 GLN C C 52 175.872 175.728 0.144 1
2 706 . 11 1 1 A 58 58 ARG N N 53 120.525 116.233 4.292 1
2 707 . 11 1 1 A 58 58 ARG H H 53 8.279 7.962 0.317 1
2 708 . 11 1 1 A 58 58 ARG CA C 53 55.883 57.006 -1.123 1
2 709 . 11 1 1 A 58 58 ARG HA H 53 4.176 4.074 0.102 1
2 710 . 11 1 1 A 58 58 ARG CB C 53 30.031 28.125 1.906 1
2 721 . 11 1 1 A 58 58 ARG C C 53 175.820 175.564 0.256 1
2 722 . 11 1 1 A 59 59 HIS N N 54 118.905 117.927 0.978 1
2 723 . 11 1 1 A 59 59 HIS H H 54 8.398 8.046 0.352 1
2 724 . 11 1 1 A 59 59 HIS CA C 54 54.908 56.817 -1.909 1
2 725 . 11 1 1 A 59 59 HIS HA H 54 4.548 4.717 -0.169 1
2 726 . 11 1 1 A 59 59 HIS CB C 54 28.953 31.244 -2.291 1
2 729 . 11 1 1 A 59 59 HIS C C 54 174.136 174.767 -0.631 1
2 730 . 11 1 1 A 60 60 HIS N N 55 119.527 112.142 7.385 1
2 731 . 11 1 1 A 60 60 HIS H H 55 8.493 7.922 0.571 1
2 732 . 11 1 1 A 60 60 HIS CA C 55 55.274 53.463 1.811 1
2 733 . 11 1 1 A 60 60 HIS HA H 55 4.552 4.328 0.224 1
2 734 . 11 1 1 A 60 60 HIS CB C 55 28.913 28.983 -0.070 1
2 737 . 11 1 1 A 60 60 HIS C C 55 174.595 173.136 1.459 1
2 738 . 11 1 1 A 61 61 GLY N N 56 110.215 108.575 1.640 1
2 739 . 11 1 1 A 61 61 GLY H H 56 8.604 8.546 0.058 1
2 740 . 11 1 1 A 61 61 GLY CA C 56 44.977 46.217 -1.240 1
2 741 . 11 1 1 A 61 61 GLY HA2 H 56 3.956 3.632 0.324 1
2 742 . 11 1 1 A 61 61 GLY HA3 H 56 3.831 3.828 0.003 1
2 743 . 11 1 1 A 61 61 GLY C C 56 173.752 174.099 -0.347 1
2 744 . 11 1 1 A 62 62 TRP N N 57 120.700 123.041 -2.341 1
2 745 . 11 1 1 A 62 62 TRP H H 57 8.175 7.501 0.674 1
2 746 . 11 1 1 A 62 62 TRP CA C 57 56.929 57.879 -0.950 1
2 747 . 11 1 1 A 62 62 TRP HA H 57 4.663 4.744 -0.081 1
2 748 . 11 1 1 A 62 62 TRP CB C 57 29.142 30.680 -1.538 1
2 763 . 11 1 1 A 62 62 TRP C C 57 176.442 177.012 -0.570 1
2 764 . 11 1 1 A 63 63 GLY N N 58 110.195 108.466 1.729 1
2 765 . 11 1 1 A 63 63 GLY H H 58 8.452 8.478 -0.026 1
2 766 . 11 1 1 A 63 63 GLY CA C 58 45.052 46.645 -1.593 1
2 767 . 11 1 1 A 63 63 GLY HA2 H 58 3.925 3.909 0.016 1
2 768 . 11 1 1 A 63 63 GLY HA3 H 58 3.833 4.005 -0.172 1
2 769 . 11 1 1 A 63 63 GLY C C 58 173.738 174.283 -0.545 1
2 770 . 11 1 1 A 64 64 ARG N N 59 120.374 118.784 1.590 1
2 771 . 11 1 1 A 64 64 ARG H H 59 8.136 8.138 -0.002 1
2 772 . 11 1 1 A 64 64 ARG CA C 59 55.799 57.356 -1.557 1
2 773 . 11 1 1 A 64 64 ARG HA H 59 4.287 3.929 0.358 1
2 774 . 11 1 1 A 64 64 ARG CB C 59 30.371 29.285 1.086 1
2 785 . 11 1 1 A 64 64 ARG C C 59 176.287 176.548 -0.261 1
2 786 . 11 1 1 A 65 65 LYS N N 60 121.593 115.683 5.910 1
2 787 . 11 1 1 A 65 65 LYS H H 60 8.483 8.047 0.436 1
2 788 . 11 1 1 A 65 65 LYS CA C 60 56.353 55.675 0.678 1
2 789 . 11 1 1 A 65 65 LYS HA H 60 4.218 4.451 -0.233 1
2 790 . 11 1 1 A 65 65 LYS CB C 60 32.260 33.164 -0.904 1
2 796 . 11 1 1 A 65 65 LYS C C 60 176.102 176.805 -0.703 1
2 797 . 11 1 1 A 66 66 ASN N N 61 118.654 119.031 -0.377 1
2 798 . 11 1 1 A 66 66 ASN H H 61 8.413 8.325 0.088 1
2 799 . 11 1 1 A 66 66 ASN CA C 61 53.055 53.043 0.012 1
2 800 . 11 1 1 A 66 66 ASN HA H 61 4.639 4.618 0.021 1
2 801 . 11 1 1 A 66 66 ASN CB C 61 38.385 37.588 0.797 1
2 808 . 11 1 1 A 66 66 ASN C C 61 174.531 175.677 -1.146 1
2 809 . 11 1 1 A 67 67 SER N N 62 115.491 114.823 0.668 1
2 810 . 11 1 1 A 67 67 SER H H 62 8.288 8.667 -0.379 1
2 811 . 11 1 1 A 67 67 SER CA C 62 57.980 58.260 -0.280 1
2 812 . 11 1 1 A 67 67 SER HA H 62 4.283 4.345 -0.062 1
2 813 . 11 1 1 A 67 67 SER CB C 62 63.205 62.503 0.702 1
2 816 . 11 1 1 A 67 67 SER C C 62 173.864 175.119 -1.255 1
2 817 . 11 1 1 A 68 68 LEU N N 63 123.549 118.954 4.595 1
2 818 . 11 1 1 A 68 68 LEU H H 63 8.063 8.308 -0.245 1
2 819 . 11 1 1 A 68 68 LEU CA C 63 54.098 54.219 -0.121 1
2 820 . 11 1 1 A 68 68 LEU HA H 63 4.481 4.594 -0.113 1
2 821 . 11 1 1 A 68 68 LEU CB C 63 42.494 43.008 -0.514 1
2 834 . 11 1 1 A 68 68 LEU C C 63 176.532 176.390 0.142 1
2 835 . 11 1 1 A 69 69 THR N N 64 112.637 112.848 -0.211 1
2 836 . 11 1 1 A 69 69 THR H H 64 7.797 7.424 0.373 1
2 837 . 11 1 1 A 69 69 THR CA C 64 59.915 60.253 -0.338 1
2 838 . 11 1 1 A 69 69 THR HA H 64 4.490 4.637 -0.147 1
2 839 . 11 1 1 A 69 69 THR CB C 64 70.852 71.558 -0.706 1
2 845 . 11 1 1 A 69 69 THR C C 64 174.998 176.461 -1.463 1
2 846 . 11 1 1 A 70 70 LYS N N 65 120.128 122.003 -1.875 1
2 847 . 11 1 1 A 70 70 LYS H H 65 9.059 9.071 -0.012 1
2 848 . 11 1 1 A 70 70 LYS CA C 65 59.535 58.960 0.575 1
2 849 . 11 1 1 A 70 70 LYS HA H 65 3.909 3.991 -0.082 1
2 850 . 11 1 1 A 70 70 LYS CB C 65 31.890 31.852 0.038 1
2 858 . 11 1 1 A 70 70 LYS C C 65 177.536 178.462 -0.926 1
2 859 . 11 1 1 A 71 71 GLU N N 66 117.667 119.423 -1.756 1
2 860 . 11 1 1 A 71 71 GLU H H 66 8.699 8.342 0.357 1
2 861 . 11 1 1 A 71 71 GLU CA C 66 60.199 59.050 1.149 1
2 862 . 11 1 1 A 71 71 GLU HA H 66 3.806 4.082 -0.276 1
2 863 . 11 1 1 A 71 71 GLU CB C 66 27.986 29.813 -1.827 1
2 870 . 11 1 1 A 71 71 GLU C C 66 178.416 179.076 -0.660 1
2 871 . 11 1 1 A 72 72 ALA N N 67 123.924 122.321 1.603 1
2 872 . 11 1 1 A 72 72 ALA H H 67 7.992 7.709 0.283 1
2 873 . 11 1 1 A 72 72 ALA CA C 67 54.477 55.061 -0.584 1
2 874 . 11 1 1 A 72 72 ALA HA H 67 4.110 4.120 -0.010 1
2 878 . 11 1 1 A 72 72 ALA CB C 67 18.301 18.524 -0.223 1
2 879 . 11 1 1 A 72 72 ALA C C 67 178.721 179.640 -0.919 1
2 880 . 11 1 1 A 73 73 VAL N N 68 119.434 117.865 1.569 1
2 881 . 11 1 1 A 73 73 VAL H H 68 8.044 8.150 -0.106 1
2 882 . 11 1 1 A 73 73 VAL CA C 68 66.089 66.624 -0.535 1
2 883 . 11 1 1 A 73 73 VAL HA H 68 3.473 3.564 -0.091 1
2 884 . 11 1 1 A 73 73 VAL CB C 68 31.150 31.472 -0.322 1
2 894 . 11 1 1 A 73 73 VAL C C 68 177.001 178.477 -1.476 1
2 895 . 11 1 1 A 74 74 ALA N N 69 120.671 121.585 -0.914 1
2 896 . 11 1 1 A 74 74 ALA H H 69 8.407 8.032 0.375 1
2 897 . 11 1 1 A 74 74 ALA CA C 69 54.727 55.114 -0.387 1
2 898 . 11 1 1 A 74 74 ALA HA H 69 3.968 4.144 -0.176 1
2 902 . 11 1 1 A 74 74 ALA CB C 69 18.066 18.237 -0.171 1
2 903 . 11 1 1 A 74 74 ALA C C 69 178.820 179.823 -1.003 1
2 904 . 11 1 1 A 75 75 LYS N N 70 118.624 118.189 0.435 1
2 905 . 11 1 1 A 75 75 LYS H H 70 7.930 7.965 -0.035 1
2 906 . 11 1 1 A 75 75 LYS CA C 70 58.807 59.843 -1.036 1
2 907 . 11 1 1 A 75 75 LYS HA H 70 4.086 4.062 0.024 1
2 908 . 11 1 1 A 75 75 LYS CB C 70 31.776 32.142 -0.366 1
2 918 . 11 1 1 A 75 75 LYS C C 70 177.424 179.206 -1.782 1
2 919 . 11 1 1 A 76 76 ILE N N 71 120.234 119.890 0.344 1
2 920 . 11 1 1 A 76 76 ILE H H 71 7.478 7.806 -0.328 1
2 921 . 11 1 1 A 76 76 ILE CA C 71 64.885 64.741 0.144 1
2 922 . 11 1 1 A 76 76 ILE HA H 71 3.960 3.789 0.171 1
2 923 . 11 1 1 A 76 76 ILE CB C 71 37.810 37.349 0.461 1
2 936 . 11 1 1 A 76 76 ILE C C 71 179.734 178.424 1.310 1
2 937 . 11 1 1 A 77 77 VAL N N 72 122.502 119.988 2.514 1
2 938 . 11 1 1 A 77 77 VAL H H 72 8.325 8.148 0.177 1
2 939 . 11 1 1 A 77 77 VAL CA C 72 67.450 66.858 0.592 1
2 940 . 11 1 1 A 77 77 VAL HA H 72 3.576 3.776 -0.200 1
2 941 . 11 1 1 A 77 77 VAL CB C 72 30.928 31.631 -0.703 1
2 951 . 11 1 1 A 77 77 VAL C C 72 176.906 177.765 -0.859 1
2 952 . 11 1 1 A 78 78 ASP N N 73 120.524 120.342 0.182 1
2 953 . 11 1 1 A 78 78 ASP H H 73 8.798 8.358 0.440 1
2 954 . 11 1 1 A 78 78 ASP CA C 73 58.206 56.916 1.290 1
2 955 . 11 1 1 A 78 78 ASP HA H 73 4.379 4.540 -0.161 1
2 956 . 11 1 1 A 78 78 ASP CB C 73 41.420 41.033 0.387 1
2 960 . 11 1 1 A 78 78 ASP C C 73 178.068 178.510 -0.442 1
2 961 . 11 1 1 A 79 79 ASP N N 74 119.761 119.803 -0.042 1
2 962 . 11 1 1 A 79 79 ASP H H 74 9.318 8.193 1.125 1
2 963 . 11 1 1 A 79 79 ASP CA C 74 57.025 57.270 -0.245 1
2 964 . 11 1 1 A 79 79 ASP HA H 74 4.404 4.372 0.032 1
2 965 . 11 1 1 A 79 79 ASP CB C 74 40.007 40.636 -0.629 1
2 969 . 11 1 1 A 79 79 ASP C C 74 178.813 178.616 0.197 1
2 970 . 11 1 1 A 80 80 THR N N 75 117.342 116.744 0.598 1
2 971 . 11 1 1 A 80 80 THR H H 75 8.084 8.240 -0.156 1
2 972 . 11 1 1 A 80 80 THR CA C 75 66.977 66.552 0.425 1
2 973 . 11 1 1 A 80 80 THR HA H 75 3.826 3.913 -0.087 1
2 974 . 11 1 1 A 80 80 THR CB C 75 67.725 68.127 -0.402 1
2 980 . 11 1 1 A 80 80 THR C C 75 175.367 175.618 -0.251 1
2 981 . 11 1 1 A 81 81 TYR N N 76 123.732 121.268 2.464 1
2 982 . 11 1 1 A 81 81 TYR H H 76 8.830 8.074 0.756 1
2 983 . 11 1 1 A 81 81 TYR CA C 76 61.713 61.778 -0.065 1
2 984 . 11 1 1 A 81 81 TYR HA H 76 4.265 4.124 0.141 1
2 985 . 11 1 1 A 81 81 TYR CB C 76 38.849 38.874 -0.025 1
2 994 . 11 1 1 A 81 81 TYR C C 76 176.700 177.856 -1.156 1
2 995 . 11 1 1 A 82 82 ARG N N 77 118.508 118.514 -0.006 1
2 996 . 11 1 1 A 82 82 ARG H H 77 8.754 8.698 0.056 1
2 997 . 11 1 1 A 82 82 ARG CA C 77 58.792 59.429 -0.637 1
2 998 . 11 1 1 A 82 82 ARG HA H 77 3.890 3.857 0.033 1
2 999 . 11 1 1 A 82 82 ARG CB C 77 29.498 30.170 -0.672 1
2 1015 . 11 1 1 A 82 82 ARG C C 77 178.748 178.932 -0.184 1
2 1016 . 11 1 1 A 83 83 LYS N N 78 118.079 120.314 -2.235 1
2 1017 . 11 1 1 A 83 83 LYS H H 78 7.696 7.869 -0.173 1
2 1018 . 11 1 1 A 83 83 LYS CA C 78 58.671 58.888 -0.217 1
2 1019 . 11 1 1 A 83 83 LYS HA H 78 4.024 4.084 -0.060 1
2 1020 . 11 1 1 A 83 83 LYS CB C 78 32.057 31.831 0.226 1
2 1026 . 11 1 1 A 83 83 LYS C C 78 177.743 179.099 -1.356 1
2 1027 . 11 1 1 A 84 84 MET N N 79 118.241 117.914 0.327 1
2 1028 . 11 1 1 A 84 84 MET H H 79 7.748 8.068 -0.320 1
2 1029 . 11 1 1 A 84 84 MET CA C 79 57.209 58.719 -1.510 1
2 1030 . 11 1 1 A 84 84 MET HA H 79 4.170 4.109 0.061 1
2 1031 . 11 1 1 A 84 84 MET CB C 79 32.320 33.195 -0.875 1
2 1041 . 11 1 1 A 84 84 MET C C 79 177.036 177.009 0.027 1
2 1042 . 11 1 1 A 85 85 GLN N N 80 117.242 113.032 4.210 1
2 1043 . 11 1 1 A 85 85 GLN H H 80 7.843 7.373 0.470 1
2 1044 . 11 1 1 A 85 85 GLN CA C 80 56.523 54.724 1.799 1
2 1045 . 11 1 1 A 85 85 GLN HA H 80 3.993 4.481 -0.488 1
2 1046 . 11 1 1 A 85 85 GLN CB C 80 28.240 29.450 -1.210 1
2 1056 . 11 1 1 A 85 85 GLN C C 80 176.690 176.388 0.302 1
2 1057 . 11 1 1 A 86 86 ILE N N 81 119.178 114.719 4.459 1
2 1058 . 11 1 1 A 86 86 ILE H H 81 7.715 7.793 -0.078 1
2 1059 . 11 1 1 A 86 86 ILE CA C 81 62.073 63.639 -1.566 1
2 1060 . 11 1 1 A 86 86 ILE HA H 81 3.934 3.641 0.293 1
2 1061 . 11 1 1 A 86 86 ILE CB C 81 37.966 36.454 1.512 1
2 1074 . 11 1 1 A 86 86 ILE C C 81 176.673 175.306 1.367 1
2 1075 . 11 1 1 A 87 87 GLN N N 82 121.386 120.563 0.823 1
2 1076 . 11 1 1 A 87 87 GLN H H 82 8.164 8.393 -0.229 1
2 1077 . 11 1 1 A 87 87 GLN CA C 82 55.968 57.574 -1.606 1
2 1078 . 11 1 1 A 87 87 GLN HA H 82 4.214 4.250 -0.036 1
2 1079 . 11 1 1 A 87 87 GLN CB C 82 28.735 28.075 0.660 1
2 1088 . 11 1 1 A 87 87 GLN C C 82 175.836 175.998 -0.162 1
2 1089 . 11 1 1 A 88 88 CYS N N 83 118.663 123.628 -4.965 1
2 1090 . 11 1 1 A 88 88 CYS H H 83 8.238 8.976 -0.738 1
2 1091 . 11 1 1 A 88 88 CYS CA C 83 57.997 62.710 -4.713 1
2 1092 . 11 1 1 A 88 88 CYS HA H 83 4.467 4.164 0.303 1
2 1093 . 11 1 1 A 88 88 CYS CB C 83 27.582 27.783 -0.201 1
2 1096 . 11 1 1 A 88 88 CYS C C 83 173.432 174.658 -1.226 1
2 1097 . 11 1 1 A 89 89 ALA N N 84 127.014 121.160 5.854 1
2 1098 . 11 1 1 A 89 89 ALA H H 84 8.249 8.114 0.135 1
2 1099 . 11 1 1 A 89 89 ALA CA C 84 50.607 52.886 -2.279 1
2 1100 . 11 1 1 A 89 89 ALA HA H 84 4.544 4.231 0.313 1
2 1104 . 11 1 1 A 89 89 ALA CB C 84 17.658 17.365 0.293 1
2 1105 . 11 1 1 A 89 89 ALA C C 84 175.125 178.322 -3.197 1
2 1107 . 11 1 1 A 90 90 PRO CA C 85 62.995 63.594 -0.599 1
2 1108 . 11 1 1 A 90 90 PRO HA H 85 4.373 4.434 -0.061 1
2 1109 . 11 1 1 A 90 90 PRO CB C 85 31.692 32.170 -0.478 1
2 1117 . 11 1 1 A 90 90 PRO C C 85 176.407 176.983 -0.576 1
2 1118 . 11 1 1 A 91 91 ASP N N 86 119.209 119.329 -0.120 1
2 1119 . 11 1 1 A 91 91 ASP H H 86 8.429 8.113 0.316 1
2 1120 . 11 1 1 A 91 91 ASP CA C 86 53.752 54.906 -1.154 1
2 1121 . 11 1 1 A 91 91 ASP HA H 86 4.394 4.407 -0.013 1
2 1122 . 11 1 1 A 91 91 ASP CB C 86 40.319 39.240 1.079 1
2 1125 . 11 1 1 A 91 91 ASP C C 86 176.101 176.450 -0.349 1
2 1126 . 11 1 1 A 92 92 LEU N N 87 122.571 124.309 -1.738 1
2 1127 . 11 1 1 A 92 92 LEU H H 87 8.208 7.860 0.348 1
2 1128 . 11 1 1 A 92 92 LEU CA C 87 55.286 58.201 -2.915 1
2 1129 . 11 1 1 A 92 92 LEU HA H 87 4.204 4.101 0.103 1
2 1130 . 11 1 1 A 92 92 LEU CB C 87 41.786 41.297 0.489 1
2 1143 . 11 1 1 A 92 92 LEU C C 87 177.406 177.445 -0.039 1
2 1144 . 11 1 1 A 93 93 ALA N N 88 123.131 121.521 1.610 1
2 1145 . 11 1 1 A 93 93 ALA H H 88 8.305 7.659 0.646 1
2 1146 . 11 1 1 A 93 93 ALA CA C 88 52.876 51.372 1.504 1
2 1147 . 11 1 1 A 93 93 ALA HA H 88 4.263 4.461 -0.198 1
2 1151 . 11 1 1 A 93 93 ALA CB C 88 18.672 19.215 -0.543 1
2 1152 . 11 1 1 A 93 93 ALA C C 88 178.033 177.469 0.564 1
2 1153 . 11 1 1 A 94 94 THR N N 89 112.097 108.774 3.323 1
2 1154 . 11 1 1 A 94 94 THR H H 89 7.994 8.525 -0.531 1
2 1155 . 11 1 1 A 94 94 THR CA C 89 61.640 63.133 -1.493 1
2 1156 . 11 1 1 A 94 94 THR HA H 89 4.251 3.918 0.333 1
2 1157 . 11 1 1 A 94 94 THR CB C 89 69.063 66.545 2.518 1
2 1163 . 11 1 1 A 94 94 THR C C 89 174.493 173.812 0.681 1
2 1164 . 11 1 1 A 95 95 ARG N N 90 122.704 114.301 8.403 1
2 1165 . 11 1 1 A 95 95 ARG H H 90 8.211 8.392 -0.181 1
2 1166 . 11 1 1 A 95 95 ARG CA C 90 55.718 57.359 -1.641 1
2 1167 . 11 1 1 A 95 95 ARG HA H 90 4.324 4.384 -0.060 1
2 1168 . 11 1 1 A 95 95 ARG CB C 90 30.309 27.351 2.958 1
2 1179 . 11 1 1 A 95 95 ARG C C 90 175.927 176.295 -0.368 1
2 1180 . 11 1 1 A 96 96 SER N N 91 116.390 113.590 2.800 1
2 1181 . 11 1 1 A 96 96 SER H H 91 8.365 8.226 0.139 1
2 1182 . 11 1 1 A 96 96 SER CA C 91 57.823 61.947 -4.124 1
2 1183 . 11 1 1 A 96 96 SER HA H 91 4.356 4.327 0.029 1
2 1184 . 11 1 1 A 96 96 SER CB C 91 63.214 63.624 -0.410 1
2 1187 . 11 1 1 A 96 96 SER C C 91 174.011 176.317 -2.306 1
2 1188 . 11 1 1 A 97 97 HIS N N 92 120.507 117.789 2.718 1
2 1189 . 11 1 1 A 97 97 HIS H H 92 8.541 7.879 0.662 1
2 1190 . 11 1 1 A 97 97 HIS CA C 92 54.960 58.105 -3.145 1
2 1191 . 11 1 1 A 97 97 HIS HA H 92 4.704 4.453 0.251 1
2 1192 . 11 1 1 A 97 97 HIS CB C 92 28.518 30.968 -2.450 1
2 1197 . 11 1 1 A 97 97 HIS C C 92 174.186 175.566 -1.380 1
2 1198 . 11 1 1 A 98 98 SER N N 93 116.801 112.600 4.201 1
2 1199 . 11 1 1 A 98 98 SER H H 93 8.455 7.774 0.681 1
2 1200 . 11 1 1 A 98 98 SER CA C 93 57.880 57.600 0.280 1
2 1201 . 11 1 1 A 98 98 SER HA H 93 4.445 4.999 -0.554 1
2 1202 . 11 1 1 A 98 98 SER CB C 93 63.434 65.515 -2.081 1
2 1205 . 11 1 1 A 98 98 SER C C 93 174.508 173.875 0.633 1
2 1206 . 11 1 1 A 99 99 GLY N N 94 111.114 113.638 -2.524 1
2 1207 . 11 1 1 A 99 99 GLY H H 94 8.597 8.761 -0.164 1
2 1208 . 11 1 1 A 99 99 GLY CA C 94 44.888 44.631 0.257 1
2 1209 . 11 1 1 A 99 99 GLY HA2 H 94 3.998 4.112 -0.114 1
2 1210 . 11 1 1 A 99 99 GLY HA3 H 94 3.998 4.113 -0.115 1
2 1211 . 11 1 1 A 99 99 GLY C C 94 173.856 173.648 0.208 1
2 1212 . 11 1 1 A 100 100 SER N N 95 115.398 116.565 -1.167 1
2 1213 . 11 1 1 A 100 100 SER H H 95 8.311 8.336 -0.025 1
2 1214 . 11 1 1 A 100 100 SER CA C 95 57.888 57.608 0.280 1
2 1215 . 11 1 1 A 100 100 SER HA H 95 4.408 4.871 -0.463 1
2 1216 . 11 1 1 A 100 100 SER CB C 95 63.328 64.361 -1.033 1
2 1219 . 11 1 1 A 100 100 SER C C 95 173.725 174.556 -0.831 1
2 1220 . 11 1 1 A 101 101 ASP N N 96 121.810 121.861 -0.051 1
2 1221 . 11 1 1 A 101 101 ASP H H 96 8.380 8.210 0.170 1
2 1222 . 11 1 1 A 101 101 ASP CA C 96 53.813 54.385 -0.572 1
2 1223 . 11 1 1 A 101 101 ASP HA H 96 4.536 5.081 -0.545 1
2 1224 . 11 1 1 A 101 101 ASP CB C 96 40.438 42.323 -1.885 1
2 1227 . 11 1 1 A 101 101 ASP C C 96 175.524 176.846 -1.322 1
2 1228 . 11 1 1 A 102 102 PHE N N 97 120.706 117.014 3.692 1
2 1229 . 11 1 1 A 102 102 PHE H H 97 8.249 8.151 0.098 1
2 1230 . 11 1 1 A 102 102 PHE CA C 97 57.323 57.921 -0.598 1
2 1231 . 11 1 1 A 102 102 PHE HA H 97 4.527 4.657 -0.130 1
2 1232 . 11 1 1 A 102 102 PHE CB C 97 38.989 39.203 -0.214 1
2 1238 . 11 1 1 A 102 102 PHE C C 97 175.246 176.196 -0.950 1
2 1239 . 11 1 1 A 103 103 SER N N 98 116.992 111.405 5.587 1
2 1240 . 11 1 1 A 103 103 SER H H 98 8.167 7.857 0.310 1
2 1241 . 11 1 1 A 103 103 SER CA C 98 57.883 57.022 0.861 1
2 1242 . 11 1 1 A 103 103 SER HA H 98 4.317 4.741 -0.424 1
2 1243 . 11 1 1 A 103 103 SER CB C 98 63.301 62.947 0.354 1
2 1246 . 11 1 1 A 103 103 SER C C 98 173.244 173.842 -0.598 1
2 1247 . 11 1 1 A 104 104 PHE N N 99 122.000 119.100 2.900 1
2 1248 . 11 1 1 A 104 104 PHE H H 99 8.170 8.232 -0.062 1
2 1249 . 11 1 1 A 104 104 PHE CA C 99 57.236 56.775 0.461 1
2 1250 . 11 1 1 A 104 104 PHE HA H 99 4.529 4.858 -0.329 1
2 1251 . 11 1 1 A 104 104 PHE CB C 99 38.997 38.899 0.098 1
2 1257 . 11 1 1 A 104 104 PHE C C 99 174.632 175.775 -1.143 1
2 1258 . 11 1 1 A 105 105 ARG N N 100 124.796 118.027 6.769 1
2 1259 . 11 1 1 A 105 105 ARG H H 100 8.101 7.360 0.741 1
2 1260 . 11 1 1 A 105 105 ARG CA C 100 52.969 55.204 -2.235 1
2 1261 . 11 1 1 A 105 105 ARG HA H 100 4.516 4.403 0.113 1
2 1262 . 11 1 1 A 105 105 ARG CB C 100 30.069 30.198 -0.129 1
2 1271 . 11 1 1 A 105 105 ARG C C 100 172.924 175.717 -2.793 1
2 1273 . 11 1 1 A 106 106 PRO CA C 101 62.673 62.373 0.300 1
2 1274 . 11 1 1 A 106 106 PRO HA H 101 4.351 4.708 -0.357 1
2 1275 . 11 1 1 A 106 106 PRO CB C 101 31.726 33.393 -1.667 1
2 1283 . 11 1 1 A 106 106 PRO C C 101 176.395 176.458 -0.063 1
2 1284 . 11 1 1 A 107 107 ILE N N 102 121.380 120.922 0.458 1
2 1285 . 11 1 1 A 107 107 ILE H H 102 8.350 8.496 -0.146 1
2 1286 . 11 1 1 A 107 107 ILE CA C 102 60.940 60.329 0.611 1
2 1287 . 11 1 1 A 107 107 ILE HA H 102 4.039 4.678 -0.639 1
2 1288 . 11 1 1 A 107 107 ILE CB C 102 38.204 38.855 -0.651 1
2 1301 . 11 1 1 A 107 107 ILE C C 102 175.990 176.419 -0.429 1
2 1302 . 11 1 1 A 108 108 GLU N N 103 124.836 123.257 1.579 1
2 1303 . 11 1 1 A 108 108 GLU H H 103 8.578 8.234 0.344 1
2 1304 . 11 1 1 A 108 108 GLU CA C 103 55.883 59.232 -3.349 1
2 1305 . 11 1 1 A 108 108 GLU HA H 103 4.280 3.941 0.339 1
2 1306 . 11 1 1 A 108 108 GLU CB C 103 29.902 30.314 -0.412 1
2 1312 . 11 1 1 A 108 108 GLU C C 103 175.670 176.424 -0.754 1
2 1313 . 11 1 1 A 109 109 GLU N N 104 122.847 115.356 7.491 1
2 1314 . 11 1 1 A 109 109 GLU H H 104 8.459 7.681 0.778 1
2 1315 . 11 1 1 A 109 109 GLU CA C 104 55.902 55.882 0.020 1
2 1316 . 11 1 1 A 109 109 GLU HA H 104 4.267 4.674 -0.407 1
2 1317 . 11 1 1 A 109 109 GLU CB C 104 29.985 32.302 -2.317 1
2 1322 . 11 1 1 A 109 109 GLU C C 104 174.661 174.376 0.285 1
2 3 . 12 1 1 A 2 2 SER N N -4 115.528 113.408 2.120 1
2 4 . 12 1 1 A 2 2 SER H H -4 8.751 8.570 0.181 1
2 5 . 12 1 1 A 2 2 SER CA C -4 57.687 57.904 -0.217 1
2 6 . 12 1 1 A 2 2 SER HA H -4 4.451 4.536 -0.085 1
2 7 . 12 1 1 A 2 2 SER CB C -4 63.389 64.537 -1.148 1
2 8 . 12 1 1 A 2 2 SER C C -4 173.913 174.354 -0.441 1
2 9 . 12 1 1 A 3 3 HIS N N -3 120.998 117.312 3.686 1
2 10 . 12 1 1 A 3 3 HIS H H -3 8.769 7.563 1.206 1
2 11 . 12 1 1 A 3 3 HIS CA C -3 55.010 54.917 0.093 1
2 12 . 12 1 1 A 3 3 HIS HA H -3 4.707 4.661 0.046 1
2 13 . 12 1 1 A 3 3 HIS CB C -3 28.916 29.172 -0.256 1
2 16 . 12 1 1 A 3 3 HIS C C -3 174.207 174.438 -0.231 1
2 17 . 12 1 1 A 4 4 MET N N -2 122.227 118.873 3.354 1
2 18 . 12 1 1 A 4 4 MET H H -2 8.518 7.792 0.726 1
2 19 . 12 1 1 A 4 4 MET CA C -2 55.014 54.916 0.098 1
2 20 . 12 1 1 A 4 4 MET HA H -2 4.418 4.892 -0.474 1
2 21 . 12 1 1 A 4 4 MET CB C -2 32.678 33.427 -0.749 1
2 31 . 12 1 1 A 4 4 MET C C -2 175.481 174.642 0.839 1
2 49 . 12 1 1 A 7 7 ALA N N 2 124.549 123.613 0.936 1
2 50 . 12 1 1 A 7 7 ALA H H 2 8.453 8.096 0.357 1
2 51 . 12 1 1 A 7 7 ALA CA C 2 53.221 54.409 -1.188 1
2 52 . 12 1 1 A 7 7 ALA HA H 2 4.194 4.109 0.085 1
2 56 . 12 1 1 A 7 7 ALA CB C 2 18.431 18.224 0.207 1
2 57 . 12 1 1 A 7 7 ALA C C 2 178.162 179.636 -1.474 1
2 58 . 12 1 1 A 8 8 ASP N N 3 118.618 118.614 0.004 1
2 59 . 12 1 1 A 8 8 ASP H H 3 8.064 7.875 0.189 1
2 60 . 12 1 1 A 8 8 ASP CA C 3 54.124 57.306 -3.182 1
2 61 . 12 1 1 A 8 8 ASP HA H 3 4.539 4.481 0.058 1
2 62 . 12 1 1 A 8 8 ASP CB C 3 40.341 40.852 -0.511 1
2 65 . 12 1 1 A 8 8 ASP C C 3 176.694 178.461 -1.767 1
2 66 . 12 1 1 A 9 9 LEU N N 4 123.427 121.094 2.333 1
2 67 . 12 1 1 A 9 9 LEU H H 4 8.202 7.994 0.208 1
2 68 . 12 1 1 A 9 9 LEU CA C 4 57.495 57.904 -0.409 1
2 69 . 12 1 1 A 9 9 LEU HA H 4 4.086 4.039 0.047 1
2 70 . 12 1 1 A 9 9 LEU CB C 4 41.905 41.674 0.231 1
2 82 . 12 1 1 A 9 9 LEU C C 4 178.839 178.647 0.192 1
2 83 . 12 1 1 A 10 10 VAL N N 5 119.385 119.204 0.181 1
2 84 . 12 1 1 A 10 10 VAL H H 5 8.186 8.354 -0.168 1
2 85 . 12 1 1 A 10 10 VAL CA C 5 66.585 66.733 -0.148 1
2 86 . 12 1 1 A 10 10 VAL HA H 5 3.420 3.503 -0.083 1
2 87 . 12 1 1 A 10 10 VAL CB C 5 31.177 31.520 -0.343 1
2 97 . 12 1 1 A 10 10 VAL C C 5 177.439 177.627 -0.188 1
2 98 . 12 1 1 A 11 11 SER N N 6 115.027 115.819 -0.792 1
2 99 . 12 1 1 A 11 11 SER H H 6 8.252 8.062 0.190 1
2 100 . 12 1 1 A 11 11 SER CA C 6 61.152 62.095 -0.943 1
2 101 . 12 1 1 A 11 11 SER HA H 6 4.055 4.107 -0.052 1
2 102 . 12 1 1 A 11 11 SER CB C 6 62.161 62.702 -0.541 1
2 105 . 12 1 1 A 11 11 SER C C 6 176.036 176.413 -0.377 1
2 106 . 12 1 1 A 12 12 SER N N 7 115.144 115.936 -0.792 1
2 107 . 12 1 1 A 12 12 SER H H 7 8.053 7.906 0.147 1
2 108 . 12 1 1 A 12 12 SER CA C 7 60.168 61.605 -1.437 1
2 109 . 12 1 1 A 12 12 SER HA H 7 4.284 4.065 0.219 1
2 110 . 12 1 1 A 12 12 SER CB C 7 62.706 62.838 -0.132 1
2 113 . 12 1 1 A 12 12 SER C C 7 176.540 177.228 -0.688 1
2 114 . 12 1 1 A 13 13 CYS N N 8 118.211 119.195 -0.984 1
2 115 . 12 1 1 A 13 13 CYS H H 8 7.919 8.558 -0.639 1
2 116 . 12 1 1 A 13 13 CYS CA C 8 63.651 63.980 -0.329 1
2 117 . 12 1 1 A 13 13 CYS HA H 8 4.026 4.112 -0.086 1
2 118 . 12 1 1 A 13 13 CYS CB C 8 26.641 27.103 -0.462 1
2 121 . 12 1 1 A 13 13 CYS C C 8 175.645 176.956 -1.311 1
2 122 . 12 1 1 A 14 14 LYS N N 9 120.074 121.502 -1.428 1
2 123 . 12 1 1 A 14 14 LYS H H 9 8.632 8.102 0.530 1
2 124 . 12 1 1 A 14 14 LYS CA C 9 60.441 59.571 0.870 1
2 125 . 12 1 1 A 14 14 LYS HA H 9 3.672 3.974 -0.302 1
2 126 . 12 1 1 A 14 14 LYS CB C 9 31.685 32.006 -0.321 1
2 138 . 12 1 1 A 14 14 LYS C C 9 177.615 177.804 -0.189 1
2 139 . 12 1 1 A 15 15 ASP N N 10 117.613 119.420 -1.807 1
2 140 . 12 1 1 A 15 15 ASP H H 10 7.732 8.072 -0.340 1
2 141 . 12 1 1 A 15 15 ASP CA C 10 56.175 57.294 -1.119 1
2 142 . 12 1 1 A 15 15 ASP HA H 10 4.307 4.185 0.122 1
2 143 . 12 1 1 A 15 15 ASP CB C 10 40.056 41.640 -1.584 1
2 146 . 12 1 1 A 15 15 ASP C C 10 177.650 178.470 -0.820 1
2 147 . 12 1 1 A 16 16 LYS N N 11 117.878 119.199 -1.321 1
2 148 . 12 1 1 A 16 16 LYS H H 11 7.254 7.641 -0.387 1
2 149 . 12 1 1 A 16 16 LYS CA C 11 58.962 58.788 0.174 1
2 150 . 12 1 1 A 16 16 LYS HA H 11 3.645 3.334 0.311 1
2 151 . 12 1 1 A 16 16 LYS CB C 11 32.951 31.707 1.244 1
2 160 . 12 1 1 A 16 16 LYS C C 11 177.263 177.725 -0.462 1
2 161 . 12 1 1 A 17 17 LEU N N 12 115.652 121.623 -5.971 1
2 162 . 12 1 1 A 17 17 LEU H H 12 8.138 8.269 -0.131 1
2 163 . 12 1 1 A 17 17 LEU CA C 12 56.726 58.014 -1.288 1
2 164 . 12 1 1 A 17 17 LEU HA H 12 3.579 4.152 -0.573 1
2 165 . 12 1 1 A 17 17 LEU CB C 12 41.959 41.336 0.623 1
2 176 . 12 1 1 A 17 17 LEU C C 12 177.485 178.402 -0.917 1
2 177 . 12 1 1 A 18 18 ALA N N 13 116.044 120.779 -4.735 1
2 178 . 12 1 1 A 18 18 ALA H H 13 7.080 8.557 -1.477 1
2 179 . 12 1 1 A 18 18 ALA CA C 13 53.389 54.409 -1.020 1
2 180 . 12 1 1 A 18 18 ALA HA H 13 3.963 4.063 -0.100 1
2 184 . 12 1 1 A 18 18 ALA CB C 13 18.161 18.767 -0.606 1
2 185 . 12 1 1 A 18 18 ALA C C 13 178.207 179.689 -1.482 1
2 186 . 12 1 1 A 19 19 TYR N N 14 115.556 119.396 -3.840 1
2 187 . 12 1 1 A 19 19 TYR H H 14 7.675 7.502 0.173 1
2 188 . 12 1 1 A 19 19 TYR CA C 14 58.647 59.884 -1.237 1
2 189 . 12 1 1 A 19 19 TYR HA H 14 4.304 4.157 0.147 1
2 190 . 12 1 1 A 19 19 TYR CB C 14 38.609 39.243 -0.634 1
2 199 . 12 1 1 A 19 19 TYR C C 14 175.911 176.034 -0.123 1
2 200 . 12 1 1 A 20 20 PHE N N 15 118.275 119.456 -1.181 1
2 201 . 12 1 1 A 20 20 PHE H H 15 7.406 7.610 -0.204 1
2 202 . 12 1 1 A 20 20 PHE CA C 15 56.615 57.471 -0.856 1
2 203 . 12 1 1 A 20 20 PHE HA H 15 4.649 4.720 -0.071 1
2 204 . 12 1 1 A 20 20 PHE CB C 15 38.750 40.464 -1.714 1
2 215 . 12 1 1 A 20 20 PHE C C 15 176.160 175.885 0.275 1
2 216 . 12 1 1 A 21 21 ARG N N 16 119.140 123.720 -4.580 1
2 217 . 12 1 1 A 21 21 ARG H H 16 8.714 8.350 0.364 1
2 218 . 12 1 1 A 21 21 ARG CA C 16 54.349 55.811 -1.462 1
2 219 . 12 1 1 A 21 21 ARG HA H 16 4.751 4.398 0.353 1
2 220 . 12 1 1 A 21 21 ARG CB C 16 30.097 31.597 -1.500 1
2 236 . 12 1 1 A 21 21 ARG C C 16 177.095 177.743 -0.648 1
2 237 . 12 1 1 A 22 22 ILE N N 17 120.734 124.596 -3.862 1
2 238 . 12 1 1 A 22 22 ILE H H 17 8.708 8.816 -0.108 1
2 239 . 12 1 1 A 22 22 ILE CA C 17 65.145 64.834 0.311 1
2 240 . 12 1 1 A 22 22 ILE HA H 17 3.720 3.723 -0.003 1
2 241 . 12 1 1 A 22 22 ILE CB C 17 36.857 37.711 -0.854 1
2 254 . 12 1 1 A 22 22 ILE C C 17 176.745 178.056 -1.311 1
2 255 . 12 1 1 A 23 23 LYS N N 18 118.184 121.426 -3.242 1
2 256 . 12 1 1 A 23 23 LYS H H 18 8.267 8.229 0.038 1
2 257 . 12 1 1 A 23 23 LYS CA C 18 59.829 59.722 0.107 1
2 258 . 12 1 1 A 23 23 LYS HA H 18 3.897 3.917 -0.020 1
2 259 . 12 1 1 A 23 23 LYS CB C 18 32.268 32.496 -0.228 1
2 271 . 12 1 1 A 23 23 LYS C C 18 178.159 178.835 -0.676 1
2 272 . 12 1 1 A 24 24 GLU N N 19 117.654 119.190 -1.536 1
2 273 . 12 1 1 A 24 24 GLU H H 19 7.198 8.024 -0.826 1
2 274 . 12 1 1 A 24 24 GLU CA C 19 60.612 59.131 1.481 1
2 275 . 12 1 1 A 24 24 GLU HA H 19 4.030 4.062 -0.032 1
2 276 . 12 1 1 A 24 24 GLU CB C 19 28.859 29.375 -0.516 1
2 282 . 12 1 1 A 24 24 GLU C C 19 178.521 179.176 -0.655 1
2 283 . 12 1 1 A 25 25 LEU N N 20 119.236 120.183 -0.947 1
2 284 . 12 1 1 A 25 25 LEU H H 20 7.980 8.266 -0.286 1
2 285 . 12 1 1 A 25 25 LEU CA C 20 57.676 58.019 -0.343 1
2 286 . 12 1 1 A 25 25 LEU HA H 20 3.904 4.017 -0.113 1
2 287 . 12 1 1 A 25 25 LEU CB C 20 42.218 41.258 0.960 1
2 294 . 12 1 1 A 25 25 LEU C C 20 177.990 179.415 -1.425 1
2 295 . 12 1 1 A 26 26 LYS N N 21 117.457 121.265 -3.808 1
2 296 . 12 1 1 A 26 26 LYS H H 21 8.770 8.439 0.331 1
2 297 . 12 1 1 A 26 26 LYS CA C 21 60.660 59.720 0.940 1
2 298 . 12 1 1 A 26 26 LYS HA H 21 3.787 3.948 -0.161 1
2 299 . 12 1 1 A 26 26 LYS CB C 21 31.876 32.017 -0.141 1
2 300 . 12 1 1 A 26 26 LYS C C 21 177.625 178.485 -0.860 1
2 301 . 12 1 1 A 27 27 ASP N N 22 119.023 119.716 -0.693 1
2 302 . 12 1 1 A 27 27 ASP H H 22 7.671 8.242 -0.571 1
2 303 . 12 1 1 A 27 27 ASP CA C 22 56.974 57.586 -0.612 1
2 304 . 12 1 1 A 27 27 ASP HA H 22 4.392 4.381 0.011 1
2 305 . 12 1 1 A 27 27 ASP CB C 22 40.250 41.512 -1.262 1
2 308 . 12 1 1 A 27 27 ASP C C 22 180.796 178.541 2.255 1
2 309 . 12 1 1 A 28 28 ILE N N 23 119.318 119.580 -0.262 1
2 310 . 12 1 1 A 28 28 ILE H H 23 8.039 7.821 0.218 1
2 311 . 12 1 1 A 28 28 ILE CA C 23 65.365 65.630 -0.265 1
2 312 . 12 1 1 A 28 28 ILE HA H 23 3.587 3.659 -0.072 1
2 313 . 12 1 1 A 28 28 ILE CB C 23 37.408 38.204 -0.796 1
2 326 . 12 1 1 A 28 28 ILE C C 23 177.265 178.352 -1.087 1
2 327 . 12 1 1 A 29 29 LEU N N 24 120.356 119.114 1.242 1
2 328 . 12 1 1 A 29 29 LEU H H 24 8.220 8.212 0.008 1
2 329 . 12 1 1 A 29 29 LEU CA C 24 58.562 58.058 0.504 1
2 330 . 12 1 1 A 29 29 LEU HA H 24 3.806 3.973 -0.167 1
2 331 . 12 1 1 A 29 29 LEU CB C 24 39.477 41.461 -1.984 1
2 339 . 12 1 1 A 29 29 LEU C C 24 178.572 178.721 -0.149 1
2 340 . 12 1 1 A 30 30 ASN N N 25 117.446 117.590 -0.144 1
2 341 . 12 1 1 A 30 30 ASN H H 25 8.688 8.652 0.036 1
2 342 . 12 1 1 A 30 30 ASN CA C 25 56.092 57.069 -0.977 1
2 343 . 12 1 1 A 30 30 ASN HA H 25 4.493 4.346 0.147 1
2 344 . 12 1 1 A 30 30 ASN CB C 25 38.809 38.808 0.001 1
2 351 . 12 1 1 A 30 30 ASN C C 25 178.884 177.909 0.975 1
2 352 . 12 1 1 A 31 31 GLN N N 26 119.946 118.029 1.917 1
2 353 . 12 1 1 A 31 31 GLN H H 26 8.184 7.849 0.335 1
2 354 . 12 1 1 A 31 31 GLN CA C 26 58.786 58.739 0.047 1
2 355 . 12 1 1 A 31 31 GLN HA H 26 4.041 4.030 0.011 1
2 356 . 12 1 1 A 31 31 GLN CB C 26 29.089 28.213 0.876 1
2 366 . 12 1 1 A 31 31 GLN C C 26 177.656 179.089 -1.433 1
2 367 . 12 1 1 A 32 32 LEU N N 27 116.979 118.031 -1.052 1
2 368 . 12 1 1 A 32 32 LEU H H 27 7.893 7.742 0.151 1
2 369 . 12 1 1 A 32 32 LEU CA C 27 54.545 55.490 -0.945 1
2 370 . 12 1 1 A 32 32 LEU HA H 27 4.227 4.399 -0.172 1
2 371 . 12 1 1 A 32 32 LEU CB C 27 42.063 43.082 -1.019 1
2 382 . 12 1 1 A 32 32 LEU C C 27 175.733 176.777 -1.044 1
2 383 . 12 1 1 A 33 33 GLY N N 28 108.299 107.634 0.665 1
2 384 . 12 1 1 A 33 33 GLY H H 28 7.834 7.476 0.358 1
2 385 . 12 1 1 A 33 33 GLY CA C 28 45.707 45.184 0.523 1
2 386 . 12 1 1 A 33 33 GLY HA2 H 28 3.952 3.988 -0.036 1
2 387 . 12 1 1 A 33 33 GLY HA3 H 28 3.952 3.989 -0.037 1
2 388 . 12 1 1 A 33 33 GLY C C 28 174.317 174.702 -0.385 1
2 389 . 12 1 1 A 34 34 LEU N N 29 120.833 113.281 7.552 1
2 390 . 12 1 1 A 34 34 LEU H H 29 7.986 8.580 -0.594 1
2 391 . 12 1 1 A 34 34 LEU CA C 29 51.558 55.580 -4.022 1
2 392 . 12 1 1 A 34 34 LEU HA H 29 4.744 3.995 0.749 1
2 393 . 12 1 1 A 34 34 LEU CB C 29 43.525 40.765 2.760 1
2 405 . 12 1 1 A 35 35 PRO CA C 30 62.707 63.434 -0.727 1
2 406 . 12 1 1 A 35 35 PRO HA H 30 4.351 4.455 -0.104 1
2 407 . 12 1 1 A 35 35 PRO CB C 30 31.919 31.846 0.073 1
2 415 . 12 1 1 A 35 35 PRO C C 30 177.488 177.744 -0.256 1
2 416 . 12 1 1 A 36 36 LYS N N 31 117.590 118.064 -0.474 1
2 417 . 12 1 1 A 36 36 LYS H H 31 8.380 8.282 0.098 1
2 418 . 12 1 1 A 36 36 LYS CA C 31 55.660 57.140 -1.480 1
2 419 . 12 1 1 A 36 36 LYS HA H 31 4.286 3.994 0.292 1
2 420 . 12 1 1 A 36 36 LYS CB C 31 33.239 30.122 3.117 1
2 430 . 12 1 1 A 36 36 LYS C C 31 174.384 175.815 -1.431 1
2 431 . 12 1 1 A 37 37 GLN N N 32 118.260 119.200 -0.940 1
2 432 . 12 1 1 A 37 37 GLN H H 32 7.698 7.845 -0.147 1
2 433 . 12 1 1 A 37 37 GLN CA C 32 55.550 55.920 -0.370 1
2 434 . 12 1 1 A 37 37 GLN HA H 32 4.376 4.337 0.039 1
2 435 . 12 1 1 A 37 37 GLN CB C 32 28.221 30.295 -2.074 1
2 445 . 12 1 1 A 37 37 GLN C C 32 175.222 176.193 -0.971 1
2 446 . 12 1 1 A 38 38 GLY N N 33 109.855 108.218 1.637 1
2 447 . 12 1 1 A 38 38 GLY H H 33 8.449 8.180 0.269 1
2 448 . 12 1 1 A 38 38 GLY CA C 33 43.235 44.721 -1.486 1
2 449 . 12 1 1 A 38 38 GLY HA2 H 33 4.566 4.082 0.484 1
2 450 . 12 1 1 A 38 38 GLY HA3 H 33 3.789 4.082 -0.293 1
2 451 . 12 1 1 A 38 38 GLY C C 33 173.603 173.670 -0.067 1
2 452 . 12 1 1 A 39 39 LYS N N 34 117.627 122.183 -4.556 1
2 453 . 12 1 1 A 39 39 LYS H H 34 8.649 8.208 0.441 1
2 454 . 12 1 1 A 39 39 LYS CA C 34 54.563 54.767 -0.204 1
2 455 . 12 1 1 A 39 39 LYS HA H 34 4.394 4.581 -0.187 1
2 456 . 12 1 1 A 39 39 LYS CB C 34 32.892 34.228 -1.336 1
2 468 . 12 1 1 A 39 39 LYS C C 34 176.803 178.526 -1.723 1
2 469 . 12 1 1 A 40 40 LYS N N 35 121.705 123.053 -1.348 1
2 470 . 12 1 1 A 40 40 LYS H H 35 8.920 8.636 0.284 1
2 471 . 12 1 1 A 40 40 LYS CA C 35 61.559 59.119 2.440 1
2 472 . 12 1 1 A 40 40 LYS HA H 35 3.597 3.944 -0.347 1
2 473 . 12 1 1 A 40 40 LYS CB C 35 31.953 32.220 -0.267 1
2 485 . 12 1 1 A 40 40 LYS C C 35 177.362 178.110 -0.748 1
2 486 . 12 1 1 A 41 41 GLN N N 36 114.637 118.544 -3.907 1
2 487 . 12 1 1 A 41 41 GLN H H 36 9.017 7.836 1.181 1
2 488 . 12 1 1 A 41 41 GLN CA C 36 57.638 59.038 -1.400 1
2 489 . 12 1 1 A 41 41 GLN HA H 36 3.719 3.978 -0.259 1
2 490 . 12 1 1 A 41 41 GLN CB C 36 27.865 28.324 -0.459 1
2 500 . 12 1 1 A 41 41 GLN C C 36 176.975 178.743 -1.768 1
2 501 . 12 1 1 A 42 42 ASP N N 37 115.984 120.671 -4.687 1
2 502 . 12 1 1 A 42 42 ASP H H 37 7.049 7.933 -0.884 1
2 503 . 12 1 1 A 42 42 ASP CA C 37 56.424 57.227 -0.803 1
2 504 . 12 1 1 A 42 42 ASP HA H 37 4.303 4.455 -0.152 1
2 505 . 12 1 1 A 42 42 ASP CB C 37 39.955 41.314 -1.359 1
2 508 . 12 1 1 A 42 42 ASP C C 37 178.454 178.734 -0.280 1
2 509 . 12 1 1 A 43 43 LEU N N 38 119.074 120.714 -1.640 1
2 510 . 12 1 1 A 43 43 LEU H H 38 7.725 8.170 -0.445 1
2 511 . 12 1 1 A 43 43 LEU CA C 38 57.716 57.967 -0.251 1
2 512 . 12 1 1 A 43 43 LEU HA H 38 3.794 3.954 -0.160 1
2 513 . 12 1 1 A 43 43 LEU CB C 38 40.211 42.128 -1.917 1
2 526 . 12 1 1 A 43 43 LEU C C 38 177.872 179.075 -1.203 1
2 527 . 12 1 1 A 44 44 ILE N N 39 118.343 118.487 -0.144 1
2 528 . 12 1 1 A 44 44 ILE H H 39 7.867 8.224 -0.357 1
2 529 . 12 1 1 A 44 44 ILE CA C 39 66.211 65.833 0.378 1
2 530 . 12 1 1 A 44 44 ILE HA H 39 3.319 3.486 -0.167 1
2 531 . 12 1 1 A 44 44 ILE CB C 39 37.985 37.780 0.205 1
2 541 . 12 1 1 A 44 44 ILE C C 39 177.711 177.827 -0.116 1
2 542 . 12 1 1 A 45 45 ASP N N 40 118.535 120.616 -2.081 1
2 543 . 12 1 1 A 45 45 ASP H H 40 8.503 8.143 0.360 1
2 544 . 12 1 1 A 45 45 ASP CA C 40 56.817 57.296 -0.479 1
2 545 . 12 1 1 A 45 45 ASP HA H 40 4.256 4.441 -0.185 1
2 546 . 12 1 1 A 45 45 ASP CB C 40 39.815 41.851 -2.036 1
2 549 . 12 1 1 A 45 45 ASP C C 40 178.464 178.716 -0.252 1
2 550 . 12 1 1 A 46 46 ARG N N 41 120.910 119.640 1.270 1
2 551 . 12 1 1 A 46 46 ARG H H 41 7.717 7.963 -0.246 1
2 552 . 12 1 1 A 46 46 ARG CA C 41 59.054 59.712 -0.658 1
2 553 . 12 1 1 A 46 46 ARG HA H 41 3.993 4.057 -0.064 1
2 554 . 12 1 1 A 46 46 ARG CB C 41 29.778 30.878 -1.100 1
2 563 . 12 1 1 A 46 46 ARG C C 41 177.565 178.515 -0.950 1
2 564 . 12 1 1 A 47 47 VAL N N 42 117.438 119.663 -2.225 1
2 565 . 12 1 1 A 47 47 VAL H H 42 7.445 8.212 -0.767 1
2 566 . 12 1 1 A 47 47 VAL CA C 42 66.095 66.464 -0.369 1
2 567 . 12 1 1 A 47 47 VAL HA H 42 3.446 3.667 -0.221 1
2 568 . 12 1 1 A 47 47 VAL CB C 42 31.113 31.703 -0.590 1
2 578 . 12 1 1 A 47 47 VAL C C 42 177.710 178.170 -0.460 1
2 579 . 12 1 1 A 48 48 LEU N N 43 117.085 117.705 -0.620 1
2 580 . 12 1 1 A 48 48 LEU H H 43 8.466 8.145 0.321 1
2 581 . 12 1 1 A 48 48 LEU CA C 43 57.406 57.866 -0.460 1
2 582 . 12 1 1 A 48 48 LEU HA H 43 3.851 3.928 -0.077 1
2 583 . 12 1 1 A 48 48 LEU CB C 43 40.779 41.200 -0.421 1
2 596 . 12 1 1 A 48 48 LEU C C 43 179.581 179.505 0.076 1
2 597 . 12 1 1 A 49 49 ALA N N 44 120.480 122.008 -1.528 1
2 598 . 12 1 1 A 49 49 ALA H H 44 7.952 8.004 -0.052 1
2 599 . 12 1 1 A 49 49 ALA CA C 44 53.998 54.408 -0.410 1
2 600 . 12 1 1 A 49 49 ALA HA H 44 4.104 4.121 -0.017 1
2 604 . 12 1 1 A 49 49 ALA CB C 44 17.685 18.294 -0.609 1
2 605 . 12 1 1 A 49 49 ALA C C 44 178.926 179.600 -0.674 1
2 606 . 12 1 1 A 50 50 LEU N N 45 115.306 120.554 -5.248 1
2 607 . 12 1 1 A 50 50 LEU H H 45 7.428 7.825 -0.397 1
2 608 . 12 1 1 A 50 50 LEU CA C 45 55.650 57.667 -2.017 1
2 609 . 12 1 1 A 50 50 LEU HA H 45 4.206 4.106 0.100 1
2 610 . 12 1 1 A 50 50 LEU CB C 45 41.937 41.806 0.131 1
2 623 . 12 1 1 A 50 50 LEU C C 45 177.840 178.756 -0.916 1
2 624 . 12 1 1 A 51 51 LEU N N 46 115.880 118.653 -2.773 1
2 625 . 12 1 1 A 51 51 LEU H H 46 7.642 7.934 -0.292 1
2 626 . 12 1 1 A 51 51 LEU CA C 46 54.861 56.190 -1.329 1
2 627 . 12 1 1 A 51 51 LEU HA H 46 4.260 4.201 0.059 1
2 628 . 12 1 1 A 51 51 LEU CB C 46 42.228 41.769 0.459 1
2 638 . 12 1 1 A 51 51 LEU C C 46 176.015 177.536 -1.521 1
2 639 . 12 1 1 A 52 52 THR N N 47 109.201 112.521 -3.320 1
2 640 . 12 1 1 A 52 52 THR H H 47 7.515 7.428 0.087 1
2 641 . 12 1 1 A 52 52 THR CA C 47 60.972 64.471 -3.499 1
2 642 . 12 1 1 A 52 52 THR HA H 47 4.345 4.291 0.054 1
2 643 . 12 1 1 A 52 52 THR CB C 47 69.620 69.438 0.182 1
2 649 . 12 1 1 A 52 52 THR C C 47 173.733 175.285 -1.552 1
2 650 . 12 1 1 A 53 53 ASP N N 48 122.188 118.544 3.644 1
2 651 . 12 1 1 A 53 53 ASP H H 48 8.280 8.064 0.216 1
2 652 . 12 1 1 A 53 53 ASP CA C 48 54.205 55.973 -1.768 1
2 653 . 12 1 1 A 53 53 ASP HA H 48 4.686 4.526 0.160 1
2 654 . 12 1 1 A 53 53 ASP CB C 48 40.766 40.437 0.329 1
2 658 . 12 1 1 A 53 53 ASP C C 48 176.000 176.720 -0.720 1
2 659 . 12 1 1 A 54 54 GLU N N 49 121.966 118.781 3.185 1
2 660 . 12 1 1 A 54 54 GLU H H 49 8.589 7.758 0.831 1
2 661 . 12 1 1 A 54 54 GLU CA C 49 56.448 55.478 0.970 1
2 662 . 12 1 1 A 54 54 GLU HA H 49 4.234 4.567 -0.333 1
2 663 . 12 1 1 A 54 54 GLU CB C 49 29.642 30.808 -1.166 1
2 669 . 12 1 1 A 54 54 GLU C C 49 176.522 176.680 -0.158 1
2 670 . 12 1 1 A 55 55 GLN N N 50 120.727 118.911 1.816 1
2 671 . 12 1 1 A 55 55 GLN H H 50 8.642 7.898 0.744 1
2 672 . 12 1 1 A 55 55 GLN CA C 50 56.251 55.552 0.699 1
2 673 . 12 1 1 A 55 55 GLN HA H 50 4.217 4.173 0.044 1
2 674 . 12 1 1 A 55 55 GLN CB C 50 28.555 29.008 -0.453 1
2 684 . 12 1 1 A 55 55 GLN C C 50 176.519 176.256 0.263 1
2 685 . 12 1 1 A 56 56 GLY N N 51 109.357 108.413 0.944 1
2 686 . 12 1 1 A 56 56 GLY H H 51 8.519 7.661 0.858 1
2 687 . 12 1 1 A 56 56 GLY CA C 51 45.276 45.238 0.038 1
2 688 . 12 1 1 A 56 56 GLY HA2 H 51 3.950 3.748 0.202 1
2 689 . 12 1 1 A 56 56 GLY HA3 H 51 3.809 3.912 -0.103 1
2 690 . 12 1 1 A 56 56 GLY C C 51 174.146 174.858 -0.712 1
2 691 . 12 1 1 A 57 57 GLN N N 52 119.207 117.050 2.157 1
2 692 . 12 1 1 A 57 57 GLN H H 52 8.263 8.359 -0.096 1
2 693 . 12 1 1 A 57 57 GLN CA C 52 55.572 57.352 -1.780 1
2 694 . 12 1 1 A 57 57 GLN HA H 52 4.203 4.016 0.187 1
2 695 . 12 1 1 A 57 57 GLN CB C 52 28.656 26.960 1.696 1
2 705 . 12 1 1 A 57 57 GLN C C 52 175.872 175.111 0.761 1
2 706 . 12 1 1 A 58 58 ARG N N 53 120.525 110.887 9.638 1
2 707 . 12 1 1 A 58 58 ARG H H 53 8.279 8.455 -0.176 1
2 708 . 12 1 1 A 58 58 ARG CA C 53 55.883 57.252 -1.369 1
2 709 . 12 1 1 A 58 58 ARG HA H 53 4.176 4.008 0.168 1
2 710 . 12 1 1 A 58 58 ARG CB C 53 30.031 26.956 3.075 1
2 721 . 12 1 1 A 58 58 ARG C C 53 175.820 175.760 0.060 1
2 722 . 12 1 1 A 59 59 HIS N N 54 118.905 117.119 1.786 1
2 723 . 12 1 1 A 59 59 HIS H H 54 8.398 7.952 0.446 1
2 724 . 12 1 1 A 59 59 HIS CA C 54 54.908 57.079 -2.171 1
2 725 . 12 1 1 A 59 59 HIS HA H 54 4.548 4.956 -0.408 1
2 726 . 12 1 1 A 59 59 HIS CB C 54 28.953 31.770 -2.817 1
2 729 . 12 1 1 A 59 59 HIS C C 54 174.136 174.738 -0.602 1
2 730 . 12 1 1 A 60 60 HIS N N 55 119.527 112.773 6.754 1
2 731 . 12 1 1 A 60 60 HIS H H 55 8.493 7.753 0.740 1
2 732 . 12 1 1 A 60 60 HIS CA C 55 55.274 53.907 1.367 1
2 733 . 12 1 1 A 60 60 HIS HA H 55 4.552 4.621 -0.069 1
2 734 . 12 1 1 A 60 60 HIS CB C 55 28.913 32.273 -3.360 1
2 737 . 12 1 1 A 60 60 HIS C C 55 174.595 173.820 0.775 1
2 738 . 12 1 1 A 61 61 GLY N N 56 110.215 107.024 3.191 1
2 739 . 12 1 1 A 61 61 GLY H H 56 8.604 7.535 1.069 1
2 740 . 12 1 1 A 61 61 GLY CA C 56 44.977 44.940 0.037 1
2 741 . 12 1 1 A 61 61 GLY HA2 H 56 3.956 3.688 0.268 1
2 742 . 12 1 1 A 61 61 GLY HA3 H 56 3.831 3.700 0.131 1
2 743 . 12 1 1 A 61 61 GLY C C 56 173.752 174.507 -0.755 1
2 744 . 12 1 1 A 62 62 TRP N N 57 120.700 117.750 2.950 1
2 745 . 12 1 1 A 62 62 TRP H H 57 8.175 7.223 0.952 1
2 746 . 12 1 1 A 62 62 TRP CA C 57 56.929 58.004 -1.075 1
2 747 . 12 1 1 A 62 62 TRP HA H 57 4.663 4.805 -0.142 1
2 748 . 12 1 1 A 62 62 TRP CB C 57 29.142 30.876 -1.734 1
2 763 . 12 1 1 A 62 62 TRP C C 57 176.442 177.211 -0.769 1
2 764 . 12 1 1 A 63 63 GLY N N 58 110.195 108.544 1.651 1
2 765 . 12 1 1 A 63 63 GLY H H 58 8.452 8.547 -0.095 1
2 766 . 12 1 1 A 63 63 GLY CA C 58 45.052 46.693 -1.641 1
2 767 . 12 1 1 A 63 63 GLY HA2 H 58 3.925 4.009 -0.084 1
2 768 . 12 1 1 A 63 63 GLY HA3 H 58 3.833 4.101 -0.268 1
2 769 . 12 1 1 A 63 63 GLY C C 58 173.738 174.343 -0.605 1
2 770 . 12 1 1 A 64 64 ARG N N 59 120.374 118.930 1.444 1
2 771 . 12 1 1 A 64 64 ARG H H 59 8.136 8.212 -0.076 1
2 772 . 12 1 1 A 64 64 ARG CA C 59 55.799 57.097 -1.298 1
2 773 . 12 1 1 A 64 64 ARG HA H 59 4.287 4.086 0.201 1
2 774 . 12 1 1 A 64 64 ARG CB C 59 30.371 29.290 1.081 1
2 785 . 12 1 1 A 64 64 ARG C C 59 176.287 175.072 1.215 1
2 786 . 12 1 1 A 65 65 LYS N N 60 121.593 112.873 8.720 1
2 787 . 12 1 1 A 65 65 LYS H H 60 8.483 8.481 0.002 1
2 788 . 12 1 1 A 65 65 LYS CA C 60 56.353 57.242 -0.889 1
2 789 . 12 1 1 A 65 65 LYS HA H 60 4.218 3.986 0.232 1
2 790 . 12 1 1 A 65 65 LYS CB C 60 32.260 29.935 2.325 1
2 796 . 12 1 1 A 65 65 LYS C C 60 176.102 176.890 -0.788 1
2 797 . 12 1 1 A 66 66 ASN N N 61 118.654 117.044 1.610 1
2 798 . 12 1 1 A 66 66 ASN H H 61 8.413 8.276 0.137 1
2 799 . 12 1 1 A 66 66 ASN CA C 61 53.055 52.240 0.815 1
2 800 . 12 1 1 A 66 66 ASN HA H 61 4.639 4.685 -0.046 1
2 801 . 12 1 1 A 66 66 ASN CB C 61 38.385 37.662 0.723 1
2 808 . 12 1 1 A 66 66 ASN C C 61 174.531 175.847 -1.316 1
2 809 . 12 1 1 A 67 67 SER N N 62 115.491 114.224 1.267 1
2 810 . 12 1 1 A 67 67 SER H H 62 8.288 8.088 0.200 1
2 811 . 12 1 1 A 67 67 SER CA C 62 57.980 59.210 -1.230 1
2 812 . 12 1 1 A 67 67 SER HA H 62 4.283 4.131 0.152 1
2 813 . 12 1 1 A 67 67 SER CB C 62 63.205 61.869 1.336 1
2 816 . 12 1 1 A 67 67 SER C C 62 173.864 175.145 -1.281 1
2 817 . 12 1 1 A 68 68 LEU N N 63 123.549 118.360 5.189 1
2 818 . 12 1 1 A 68 68 LEU H H 63 8.063 7.870 0.193 1
2 819 . 12 1 1 A 68 68 LEU CA C 63 54.098 54.046 0.052 1
2 820 . 12 1 1 A 68 68 LEU HA H 63 4.481 4.608 -0.127 1
2 821 . 12 1 1 A 68 68 LEU CB C 63 42.494 42.691 -0.197 1
2 834 . 12 1 1 A 68 68 LEU C C 63 176.532 175.864 0.668 1
2 835 . 12 1 1 A 69 69 THR N N 64 112.637 110.147 2.490 1
2 836 . 12 1 1 A 69 69 THR H H 64 7.797 7.434 0.363 1
2 837 . 12 1 1 A 69 69 THR CA C 64 59.915 59.645 0.270 1
2 838 . 12 1 1 A 69 69 THR HA H 64 4.490 4.696 -0.206 1
2 839 . 12 1 1 A 69 69 THR CB C 64 70.852 72.062 -1.210 1
2 845 . 12 1 1 A 69 69 THR C C 64 174.998 175.052 -0.054 1
2 846 . 12 1 1 A 70 70 LYS N N 65 120.128 121.537 -1.409 1
2 847 . 12 1 1 A 70 70 LYS H H 65 9.059 9.175 -0.116 1
2 848 . 12 1 1 A 70 70 LYS CA C 65 59.535 59.841 -0.306 1
2 849 . 12 1 1 A 70 70 LYS HA H 65 3.909 3.947 -0.038 1
2 850 . 12 1 1 A 70 70 LYS CB C 65 31.890 32.139 -0.249 1
2 858 . 12 1 1 A 70 70 LYS C C 65 177.536 178.721 -1.185 1
2 859 . 12 1 1 A 71 71 GLU N N 66 117.667 120.487 -2.820 1
2 860 . 12 1 1 A 71 71 GLU H H 66 8.699 8.612 0.087 1
2 861 . 12 1 1 A 71 71 GLU CA C 66 60.199 59.045 1.154 1
2 862 . 12 1 1 A 71 71 GLU HA H 66 3.806 4.111 -0.305 1
2 863 . 12 1 1 A 71 71 GLU CB C 66 27.986 29.680 -1.694 1
2 870 . 12 1 1 A 71 71 GLU C C 66 178.416 179.003 -0.587 1
2 871 . 12 1 1 A 72 72 ALA N N 67 123.924 122.127 1.797 1
2 872 . 12 1 1 A 72 72 ALA H H 67 7.992 7.244 0.748 1
2 873 . 12 1 1 A 72 72 ALA CA C 67 54.477 54.744 -0.267 1
2 874 . 12 1 1 A 72 72 ALA HA H 67 4.110 4.098 0.012 1
2 878 . 12 1 1 A 72 72 ALA CB C 67 18.301 19.122 -0.821 1
2 879 . 12 1 1 A 72 72 ALA C C 67 178.721 179.335 -0.614 1
2 880 . 12 1 1 A 73 73 VAL N N 68 119.434 118.123 1.311 1
2 881 . 12 1 1 A 73 73 VAL H H 68 8.044 8.067 -0.023 1
2 882 . 12 1 1 A 73 73 VAL CA C 68 66.089 66.564 -0.475 1
2 883 . 12 1 1 A 73 73 VAL HA H 68 3.473 3.563 -0.090 1
2 884 . 12 1 1 A 73 73 VAL CB C 68 31.150 31.590 -0.440 1
2 894 . 12 1 1 A 73 73 VAL C C 68 177.001 178.489 -1.488 1
2 895 . 12 1 1 A 74 74 ALA N N 69 120.671 121.462 -0.791 1
2 896 . 12 1 1 A 74 74 ALA H H 69 8.407 8.425 -0.018 1
2 897 . 12 1 1 A 74 74 ALA CA C 69 54.727 55.113 -0.386 1
2 898 . 12 1 1 A 74 74 ALA HA H 69 3.968 4.138 -0.170 1
2 902 . 12 1 1 A 74 74 ALA CB C 69 18.066 18.233 -0.167 1
2 903 . 12 1 1 A 74 74 ALA C C 69 178.820 179.748 -0.928 1
2 904 . 12 1 1 A 75 75 LYS N N 70 118.624 118.190 0.434 1
2 905 . 12 1 1 A 75 75 LYS H H 70 7.930 7.928 0.002 1
2 906 . 12 1 1 A 75 75 LYS CA C 70 58.807 59.913 -1.106 1
2 907 . 12 1 1 A 75 75 LYS HA H 70 4.086 4.035 0.051 1
2 908 . 12 1 1 A 75 75 LYS CB C 70 31.776 32.141 -0.365 1
2 918 . 12 1 1 A 75 75 LYS C C 70 177.424 179.179 -1.755 1
2 919 . 12 1 1 A 76 76 ILE N N 71 120.234 119.906 0.328 1
2 920 . 12 1 1 A 76 76 ILE H H 71 7.478 7.823 -0.345 1
2 921 . 12 1 1 A 76 76 ILE CA C 71 64.885 64.736 0.149 1
2 922 . 12 1 1 A 76 76 ILE HA H 71 3.960 3.781 0.179 1
2 923 . 12 1 1 A 76 76 ILE CB C 71 37.810 37.430 0.380 1
2 936 . 12 1 1 A 76 76 ILE C C 71 179.734 178.330 1.404 1
2 937 . 12 1 1 A 77 77 VAL N N 72 122.502 119.945 2.557 1
2 938 . 12 1 1 A 77 77 VAL H H 72 8.325 8.143 0.182 1
2 939 . 12 1 1 A 77 77 VAL CA C 72 67.450 66.772 0.678 1
2 940 . 12 1 1 A 77 77 VAL HA H 72 3.576 4.062 -0.486 1
2 941 . 12 1 1 A 77 77 VAL CB C 72 30.928 31.618 -0.690 1
2 951 . 12 1 1 A 77 77 VAL C C 72 176.906 177.971 -1.065 1
2 952 . 12 1 1 A 78 78 ASP N N 73 120.524 120.771 -0.247 1
2 953 . 12 1 1 A 78 78 ASP H H 73 8.798 8.351 0.447 1
2 954 . 12 1 1 A 78 78 ASP CA C 73 58.206 56.953 1.253 1
2 955 . 12 1 1 A 78 78 ASP HA H 73 4.379 4.518 -0.139 1
2 956 . 12 1 1 A 78 78 ASP CB C 73 41.420 41.099 0.321 1
2 960 . 12 1 1 A 78 78 ASP C C 73 178.068 178.542 -0.474 1
2 961 . 12 1 1 A 79 79 ASP N N 74 119.761 119.959 -0.198 1
2 962 . 12 1 1 A 79 79 ASP H H 74 9.318 8.185 1.133 1
2 963 . 12 1 1 A 79 79 ASP CA C 74 57.025 57.327 -0.302 1
2 964 . 12 1 1 A 79 79 ASP HA H 74 4.404 4.394 0.010 1
2 965 . 12 1 1 A 79 79 ASP CB C 74 40.007 40.724 -0.717 1
2 969 . 12 1 1 A 79 79 ASP C C 74 178.813 178.763 0.050 1
2 970 . 12 1 1 A 80 80 THR N N 75 117.342 116.286 1.056 1
2 971 . 12 1 1 A 80 80 THR H H 75 8.084 8.395 -0.311 1
2 972 . 12 1 1 A 80 80 THR CA C 75 66.977 66.276 0.701 1
2 973 . 12 1 1 A 80 80 THR HA H 75 3.826 3.877 -0.051 1
2 974 . 12 1 1 A 80 80 THR CB C 75 67.725 68.103 -0.378 1
2 980 . 12 1 1 A 80 80 THR C C 75 175.367 176.026 -0.659 1
2 981 . 12 1 1 A 81 81 TYR N N 76 123.732 120.895 2.837 1
2 982 . 12 1 1 A 81 81 TYR H H 76 8.830 8.390 0.440 1
2 983 . 12 1 1 A 81 81 TYR CA C 76 61.713 61.883 -0.170 1
2 984 . 12 1 1 A 81 81 TYR HA H 76 4.265 4.306 -0.041 1
2 985 . 12 1 1 A 81 81 TYR CB C 76 38.849 38.861 -0.012 1
2 994 . 12 1 1 A 81 81 TYR C C 76 176.700 177.486 -0.786 1
2 995 . 12 1 1 A 82 82 ARG N N 77 118.508 118.160 0.348 1
2 996 . 12 1 1 A 82 82 ARG H H 77 8.754 8.791 -0.037 1
2 997 . 12 1 1 A 82 82 ARG CA C 77 58.792 59.717 -0.925 1
2 998 . 12 1 1 A 82 82 ARG HA H 77 3.890 4.343 -0.453 1
2 999 . 12 1 1 A 82 82 ARG CB C 77 29.498 30.014 -0.516 1
2 1015 . 12 1 1 A 82 82 ARG C C 77 178.748 178.819 -0.071 1
2 1016 . 12 1 1 A 83 83 LYS N N 78 118.079 119.152 -1.073 1
2 1017 . 12 1 1 A 83 83 LYS H H 78 7.696 7.909 -0.213 1
2 1018 . 12 1 1 A 83 83 LYS CA C 78 58.671 59.017 -0.346 1
2 1019 . 12 1 1 A 83 83 LYS HA H 78 4.024 4.139 -0.115 1
2 1020 . 12 1 1 A 83 83 LYS CB C 78 32.057 31.681 0.376 1
2 1026 . 12 1 1 A 83 83 LYS C C 78 177.743 178.626 -0.883 1
2 1027 . 12 1 1 A 84 84 MET N N 79 118.241 119.659 -1.418 1
2 1028 . 12 1 1 A 84 84 MET H H 79 7.748 7.894 -0.146 1
2 1029 . 12 1 1 A 84 84 MET CA C 79 57.209 58.612 -1.403 1
2 1030 . 12 1 1 A 84 84 MET HA H 79 4.170 4.208 -0.038 1
2 1031 . 12 1 1 A 84 84 MET CB C 79 32.320 32.480 -0.160 1
2 1041 . 12 1 1 A 84 84 MET C C 79 177.036 176.859 0.177 1
2 1042 . 12 1 1 A 85 85 GLN N N 80 117.242 117.747 -0.505 1
2 1043 . 12 1 1 A 85 85 GLN H H 80 7.843 7.557 0.286 1
2 1044 . 12 1 1 A 85 85 GLN CA C 80 56.523 55.104 1.419 1
2 1045 . 12 1 1 A 85 85 GLN HA H 80 3.993 4.411 -0.418 1
2 1046 . 12 1 1 A 85 85 GLN CB C 80 28.240 29.446 -1.206 1
2 1056 . 12 1 1 A 85 85 GLN C C 80 176.690 174.453 2.237 1
2 1057 . 12 1 1 A 86 86 ILE N N 81 119.178 120.061 -0.883 1
2 1058 . 12 1 1 A 86 86 ILE H H 81 7.715 7.416 0.299 1
2 1059 . 12 1 1 A 86 86 ILE CA C 81 62.073 59.890 2.183 1
2 1060 . 12 1 1 A 86 86 ILE HA H 81 3.934 4.504 -0.570 1
2 1061 . 12 1 1 A 86 86 ILE CB C 81 37.966 38.491 -0.525 1
2 1074 . 12 1 1 A 86 86 ILE C C 81 176.673 176.186 0.487 1
2 1075 . 12 1 1 A 87 87 GLN N N 82 121.386 122.832 -1.446 1
2 1076 . 12 1 1 A 87 87 GLN H H 82 8.164 8.407 -0.243 1
2 1077 . 12 1 1 A 87 87 GLN CA C 82 55.968 58.448 -2.480 1
2 1078 . 12 1 1 A 87 87 GLN HA H 82 4.214 4.060 0.154 1
2 1079 . 12 1 1 A 87 87 GLN CB C 82 28.735 28.209 0.526 1
2 1088 . 12 1 1 A 87 87 GLN C C 82 175.836 178.664 -2.828 1
2 1089 . 12 1 1 A 88 88 CYS N N 83 118.663 117.858 0.805 1
2 1090 . 12 1 1 A 88 88 CYS H H 83 8.238 7.719 0.519 1
2 1091 . 12 1 1 A 88 88 CYS CA C 83 57.997 61.757 -3.760 1
2 1092 . 12 1 1 A 88 88 CYS HA H 83 4.467 4.181 0.286 1
2 1093 . 12 1 1 A 88 88 CYS CB C 83 27.582 28.063 -0.481 1
2 1096 . 12 1 1 A 88 88 CYS C C 83 173.432 174.441 -1.009 1
2 1097 . 12 1 1 A 89 89 ALA N N 84 127.014 121.664 5.350 1
2 1098 . 12 1 1 A 89 89 ALA H H 84 8.249 7.825 0.424 1
2 1099 . 12 1 1 A 89 89 ALA CA C 84 50.607 52.556 -1.949 1
2 1100 . 12 1 1 A 89 89 ALA HA H 84 4.544 4.013 0.531 1
2 1104 . 12 1 1 A 89 89 ALA CB C 84 17.658 17.646 0.012 1
2 1105 . 12 1 1 A 89 89 ALA C C 84 175.125 178.031 -2.906 1
2 1107 . 12 1 1 A 90 90 PRO CA C 85 62.995 63.889 -0.894 1
2 1108 . 12 1 1 A 90 90 PRO HA H 85 4.373 4.385 -0.012 1
2 1109 . 12 1 1 A 90 90 PRO CB C 85 31.692 31.959 -0.267 1
2 1117 . 12 1 1 A 90 90 PRO C C 85 176.407 177.196 -0.789 1
2 1118 . 12 1 1 A 91 91 ASP N N 86 119.209 118.444 0.765 1
2 1119 . 12 1 1 A 91 91 ASP H H 86 8.429 8.138 0.291 1
2 1120 . 12 1 1 A 91 91 ASP CA C 86 53.752 55.158 -1.406 1
2 1121 . 12 1 1 A 91 91 ASP HA H 86 4.394 4.293 0.101 1
2 1122 . 12 1 1 A 91 91 ASP CB C 86 40.319 39.492 0.827 1
2 1125 . 12 1 1 A 91 91 ASP C C 86 176.101 175.373 0.728 1
2 1126 . 12 1 1 A 92 92 LEU N N 87 122.571 118.766 3.805 1
2 1127 . 12 1 1 A 92 92 LEU H H 87 8.208 8.416 -0.208 1
2 1128 . 12 1 1 A 92 92 LEU CA C 87 55.286 55.778 -0.492 1
2 1129 . 12 1 1 A 92 92 LEU HA H 87 4.204 3.997 0.207 1
2 1130 . 12 1 1 A 92 92 LEU CB C 87 41.786 40.953 0.833 1
2 1143 . 12 1 1 A 92 92 LEU C C 87 177.406 175.777 1.629 1
2 1144 . 12 1 1 A 93 93 ALA N N 88 123.131 117.081 6.050 1
2 1145 . 12 1 1 A 93 93 ALA H H 88 8.305 8.241 0.064 1
2 1146 . 12 1 1 A 93 93 ALA CA C 88 52.876 53.288 -0.412 1
2 1147 . 12 1 1 A 93 93 ALA HA H 88 4.263 3.962 0.301 1
2 1151 . 12 1 1 A 93 93 ALA CB C 88 18.672 17.296 1.376 1
2 1152 . 12 1 1 A 93 93 ALA C C 88 178.033 176.486 1.547 1
2 1153 . 12 1 1 A 94 94 THR N N 89 112.097 101.870 10.227 1
2 1154 . 12 1 1 A 94 94 THR H H 89 7.994 7.866 0.128 1
2 1155 . 12 1 1 A 94 94 THR CA C 89 61.640 62.997 -1.357 1
2 1156 . 12 1 1 A 94 94 THR HA H 89 4.251 3.876 0.375 1
2 1157 . 12 1 1 A 94 94 THR CB C 89 69.063 66.576 2.487 1
2 1163 . 12 1 1 A 94 94 THR C C 89 174.493 173.874 0.619 1
2 1164 . 12 1 1 A 95 95 ARG N N 90 122.704 113.741 8.963 1
2 1165 . 12 1 1 A 95 95 ARG H H 90 8.211 8.407 -0.196 1
2 1166 . 12 1 1 A 95 95 ARG CA C 90 55.718 57.436 -1.718 1
2 1167 . 12 1 1 A 95 95 ARG HA H 90 4.324 3.980 0.344 1
2 1168 . 12 1 1 A 95 95 ARG CB C 90 30.309 28.233 2.076 1
2 1179 . 12 1 1 A 95 95 ARG C C 90 175.927 176.019 -0.092 1
2 1180 . 12 1 1 A 96 96 SER N N 91 116.390 114.173 2.217 1
2 1181 . 12 1 1 A 96 96 SER H H 91 8.365 8.251 0.114 1
2 1182 . 12 1 1 A 96 96 SER CA C 91 57.823 59.252 -1.429 1
2 1183 . 12 1 1 A 96 96 SER HA H 91 4.356 4.085 0.271 1
2 1184 . 12 1 1 A 96 96 SER CB C 91 63.214 62.074 1.140 1
2 1187 . 12 1 1 A 96 96 SER C C 91 174.011 173.507 0.504 1
2 1188 . 12 1 1 A 97 97 HIS N N 92 120.507 113.546 6.961 1
2 1189 . 12 1 1 A 97 97 HIS H H 92 8.541 8.170 0.371 1
2 1190 . 12 1 1 A 97 97 HIS CA C 92 54.960 56.459 -1.499 1
2 1191 . 12 1 1 A 97 97 HIS HA H 92 4.704 4.169 0.535 1
2 1192 . 12 1 1 A 97 97 HIS CB C 92 28.518 27.215 1.303 1
2 1197 . 12 1 1 A 97 97 HIS C C 92 174.186 173.803 0.383 1
2 1198 . 12 1 1 A 98 98 SER N N 93 116.801 113.425 3.376 1
2 1199 . 12 1 1 A 98 98 SER H H 93 8.455 7.416 1.039 1
2 1200 . 12 1 1 A 98 98 SER CA C 93 57.880 56.480 1.400 1
2 1201 . 12 1 1 A 98 98 SER HA H 93 4.445 4.750 -0.305 1
2 1202 . 12 1 1 A 98 98 SER CB C 93 63.434 65.802 -2.368 1
2 1205 . 12 1 1 A 98 98 SER C C 93 174.508 174.549 -0.041 1
2 1206 . 12 1 1 A 99 99 GLY N N 94 111.114 114.077 -2.963 1
2 1207 . 12 1 1 A 99 99 GLY H H 94 8.597 8.853 -0.256 1
2 1208 . 12 1 1 A 99 99 GLY CA C 94 44.888 47.296 -2.408 1
2 1209 . 12 1 1 A 99 99 GLY HA2 H 94 3.998 3.903 0.095 1
2 1210 . 12 1 1 A 99 99 GLY HA3 H 94 3.998 3.916 0.082 1
2 1211 . 12 1 1 A 99 99 GLY C C 94 173.856 175.506 -1.650 1
2 1212 . 12 1 1 A 100 100 SER N N 95 115.398 110.572 4.826 1
2 1213 . 12 1 1 A 100 100 SER H H 95 8.311 7.956 0.355 1
2 1214 . 12 1 1 A 100 100 SER CA C 95 57.888 57.519 0.369 1
2 1215 . 12 1 1 A 100 100 SER HA H 95 4.408 4.849 -0.441 1
2 1216 . 12 1 1 A 100 100 SER CB C 95 63.328 64.019 -0.691 1
2 1219 . 12 1 1 A 100 100 SER C C 95 173.725 174.484 -0.759 1
2 1220 . 12 1 1 A 101 101 ASP N N 96 121.810 120.428 1.382 1
2 1221 . 12 1 1 A 101 101 ASP H H 96 8.380 8.121 0.259 1
2 1222 . 12 1 1 A 101 101 ASP CA C 96 53.813 54.255 -0.442 1
2 1223 . 12 1 1 A 101 101 ASP HA H 96 4.536 4.858 -0.322 1
2 1224 . 12 1 1 A 101 101 ASP CB C 96 40.438 42.160 -1.722 1
2 1227 . 12 1 1 A 101 101 ASP C C 96 175.524 176.411 -0.887 1
2 1228 . 12 1 1 A 102 102 PHE N N 97 120.706 117.345 3.361 1
2 1229 . 12 1 1 A 102 102 PHE H H 97 8.249 8.050 0.199 1
2 1230 . 12 1 1 A 102 102 PHE CA C 97 57.323 57.990 -0.667 1
2 1231 . 12 1 1 A 102 102 PHE HA H 97 4.527 4.548 -0.021 1
2 1232 . 12 1 1 A 102 102 PHE CB C 97 38.989 39.318 -0.329 1
2 1238 . 12 1 1 A 102 102 PHE C C 97 175.246 176.160 -0.914 1
2 1239 . 12 1 1 A 103 103 SER N N 98 116.992 111.642 5.350 1
2 1240 . 12 1 1 A 103 103 SER H H 98 8.167 7.820 0.347 1
2 1241 . 12 1 1 A 103 103 SER CA C 98 57.883 57.153 0.730 1
2 1242 . 12 1 1 A 103 103 SER HA H 98 4.317 4.900 -0.583 1
2 1243 . 12 1 1 A 103 103 SER CB C 98 63.301 63.025 0.276 1
2 1246 . 12 1 1 A 103 103 SER C C 98 173.244 173.557 -0.313 1
2 1247 . 12 1 1 A 104 104 PHE N N 99 122.000 123.154 -1.154 1
2 1248 . 12 1 1 A 104 104 PHE H H 99 8.170 8.939 -0.769 1
2 1249 . 12 1 1 A 104 104 PHE CA C 99 57.236 56.693 0.543 1
2 1250 . 12 1 1 A 104 104 PHE HA H 99 4.529 4.597 -0.068 1
2 1251 . 12 1 1 A 104 104 PHE CB C 99 38.997 37.860 1.137 1
2 1257 . 12 1 1 A 104 104 PHE C C 99 174.632 174.553 0.079 1
2 1258 . 12 1 1 A 105 105 ARG N N 100 124.796 126.001 -1.205 1
2 1259 . 12 1 1 A 105 105 ARG H H 100 8.101 8.322 -0.221 1
2 1260 . 12 1 1 A 105 105 ARG CA C 100 52.969 53.411 -0.442 1
2 1261 . 12 1 1 A 105 105 ARG HA H 100 4.516 4.689 -0.173 1
2 1262 . 12 1 1 A 105 105 ARG CB C 100 30.069 31.333 -1.264 1
2 1271 . 12 1 1 A 105 105 ARG C C 100 172.924 174.080 -1.156 1
2 1273 . 12 1 1 A 106 106 PRO CA C 101 62.673 62.283 0.390 1
2 1274 . 12 1 1 A 106 106 PRO HA H 101 4.351 4.688 -0.337 1
2 1275 . 12 1 1 A 106 106 PRO CB C 101 31.726 33.390 -1.664 1
2 1283 . 12 1 1 A 106 106 PRO C C 101 176.395 176.358 0.037 1
2 1284 . 12 1 1 A 107 107 ILE N N 102 121.380 121.003 0.377 1
2 1285 . 12 1 1 A 107 107 ILE H H 102 8.350 8.445 -0.095 1
2 1286 . 12 1 1 A 107 107 ILE CA C 102 60.940 60.462 0.478 1
2 1287 . 12 1 1 A 107 107 ILE HA H 102 4.039 4.601 -0.562 1
2 1288 . 12 1 1 A 107 107 ILE CB C 102 38.204 38.953 -0.749 1
2 1301 . 12 1 1 A 107 107 ILE C C 102 175.990 176.332 -0.342 1
2 1302 . 12 1 1 A 108 108 GLU N N 103 124.836 122.781 2.055 1
2 1303 . 12 1 1 A 108 108 GLU H H 103 8.578 8.045 0.533 1
2 1304 . 12 1 1 A 108 108 GLU CA C 103 55.883 58.899 -3.016 1
2 1305 . 12 1 1 A 108 108 GLU HA H 103 4.280 4.081 0.199 1
2 1306 . 12 1 1 A 108 108 GLU CB C 103 29.902 28.887 1.015 1
2 1312 . 12 1 1 A 108 108 GLU C C 103 175.670 176.688 -1.018 1
2 1313 . 12 1 1 A 109 109 GLU N N 104 122.847 119.491 3.356 1
2 1314 . 12 1 1 A 109 109 GLU H H 104 8.459 8.142 0.317 1
2 1315 . 12 1 1 A 109 109 GLU CA C 104 55.902 57.249 -1.347 1
2 1316 . 12 1 1 A 109 109 GLU HA H 104 4.267 3.984 0.283 1
2 1317 . 12 1 1 A 109 109 GLU CB C 104 29.985 28.128 1.857 1
2 1322 . 12 1 1 A 109 109 GLU C C 104 174.661 175.470 -0.809 1
2 3 . 13 1 1 A 2 2 SER N N -4 115.528 114.851 0.677 1
2 4 . 13 1 1 A 2 2 SER H H -4 8.751 7.966 0.785 1
2 5 . 13 1 1 A 2 2 SER CA C -4 57.687 57.521 0.166 1
2 6 . 13 1 1 A 2 2 SER HA H -4 4.451 4.463 -0.012 1
2 7 . 13 1 1 A 2 2 SER CB C -4 63.389 63.222 0.167 1
2 8 . 13 1 1 A 2 2 SER C C -4 173.913 173.387 0.526 1
2 9 . 13 1 1 A 3 3 HIS N N -3 120.998 115.772 5.226 1
2 10 . 13 1 1 A 3 3 HIS H H -3 8.769 7.801 0.968 1
2 11 . 13 1 1 A 3 3 HIS CA C -3 55.010 56.857 -1.847 1
2 12 . 13 1 1 A 3 3 HIS HA H -3 4.707 4.190 0.517 1
2 13 . 13 1 1 A 3 3 HIS CB C -3 28.916 26.665 2.251 1
2 16 . 13 1 1 A 3 3 HIS C C -3 174.207 174.211 -0.004 1
2 17 . 13 1 1 A 4 4 MET N N -2 122.227 117.107 5.120 1
2 18 . 13 1 1 A 4 4 MET H H -2 8.518 7.646 0.872 1
2 19 . 13 1 1 A 4 4 MET CA C -2 55.014 54.844 0.170 1
2 20 . 13 1 1 A 4 4 MET HA H -2 4.418 4.781 -0.363 1
2 21 . 13 1 1 A 4 4 MET CB C -2 32.678 33.366 -0.688 1
2 31 . 13 1 1 A 4 4 MET C C -2 175.481 174.569 0.912 1
2 49 . 13 1 1 A 7 7 ALA N N 2 124.549 122.862 1.687 1
2 50 . 13 1 1 A 7 7 ALA H H 2 8.453 8.163 0.290 1
2 51 . 13 1 1 A 7 7 ALA CA C 2 53.221 54.495 -1.274 1
2 52 . 13 1 1 A 7 7 ALA HA H 2 4.194 4.109 0.085 1
2 56 . 13 1 1 A 7 7 ALA CB C 2 18.431 18.234 0.197 1
2 57 . 13 1 1 A 7 7 ALA C C 2 178.162 179.335 -1.173 1
2 58 . 13 1 1 A 8 8 ASP N N 3 118.618 118.563 0.055 1
2 59 . 13 1 1 A 8 8 ASP H H 3 8.064 7.857 0.207 1
2 60 . 13 1 1 A 8 8 ASP CA C 3 54.124 57.248 -3.124 1
2 61 . 13 1 1 A 8 8 ASP HA H 3 4.539 4.465 0.074 1
2 62 . 13 1 1 A 8 8 ASP CB C 3 40.341 40.782 -0.441 1
2 65 . 13 1 1 A 8 8 ASP C C 3 176.694 178.563 -1.869 1
2 66 . 13 1 1 A 9 9 LEU N N 4 123.427 121.206 2.221 1
2 67 . 13 1 1 A 9 9 LEU H H 4 8.202 7.895 0.307 1
2 68 . 13 1 1 A 9 9 LEU CA C 4 57.495 57.879 -0.384 1
2 69 . 13 1 1 A 9 9 LEU HA H 4 4.086 4.010 0.076 1
2 70 . 13 1 1 A 9 9 LEU CB C 4 41.905 41.651 0.254 1
2 82 . 13 1 1 A 9 9 LEU C C 4 178.839 178.644 0.195 1
2 83 . 13 1 1 A 10 10 VAL N N 5 119.385 119.178 0.207 1
2 84 . 13 1 1 A 10 10 VAL H H 5 8.186 8.357 -0.171 1
2 85 . 13 1 1 A 10 10 VAL CA C 5 66.585 66.718 -0.133 1
2 86 . 13 1 1 A 10 10 VAL HA H 5 3.420 3.491 -0.071 1
2 87 . 13 1 1 A 10 10 VAL CB C 5 31.177 31.521 -0.344 1
2 97 . 13 1 1 A 10 10 VAL C C 5 177.439 177.792 -0.353 1
2 98 . 13 1 1 A 11 11 SER N N 6 115.027 115.840 -0.813 1
2 99 . 13 1 1 A 11 11 SER H H 6 8.252 8.053 0.199 1
2 100 . 13 1 1 A 11 11 SER CA C 6 61.152 62.109 -0.957 1
2 101 . 13 1 1 A 11 11 SER HA H 6 4.055 4.087 -0.032 1
2 102 . 13 1 1 A 11 11 SER CB C 6 62.161 62.677 -0.516 1
2 105 . 13 1 1 A 11 11 SER C C 6 176.036 176.439 -0.403 1
2 106 . 13 1 1 A 12 12 SER N N 7 115.144 117.004 -1.860 1
2 107 . 13 1 1 A 12 12 SER H H 7 8.053 8.079 -0.026 1
2 108 . 13 1 1 A 12 12 SER CA C 7 60.168 61.524 -1.356 1
2 109 . 13 1 1 A 12 12 SER HA H 7 4.284 4.052 0.232 1
2 110 . 13 1 1 A 12 12 SER CB C 7 62.706 62.976 -0.270 1
2 113 . 13 1 1 A 12 12 SER C C 7 176.540 176.462 0.078 1
2 114 . 13 1 1 A 13 13 CYS N N 8 118.211 118.942 -0.731 1
2 115 . 13 1 1 A 13 13 CYS H H 8 7.919 8.553 -0.634 1
2 116 . 13 1 1 A 13 13 CYS CA C 8 63.651 63.840 -0.189 1
2 117 . 13 1 1 A 13 13 CYS HA H 8 4.026 4.075 -0.049 1
2 118 . 13 1 1 A 13 13 CYS CB C 8 26.641 26.968 -0.327 1
2 121 . 13 1 1 A 13 13 CYS C C 8 175.645 177.005 -1.360 1
2 122 . 13 1 1 A 14 14 LYS N N 9 120.074 121.517 -1.443 1
2 123 . 13 1 1 A 14 14 LYS H H 9 8.632 8.119 0.513 1
2 124 . 13 1 1 A 14 14 LYS CA C 9 60.441 59.575 0.866 1
2 125 . 13 1 1 A 14 14 LYS HA H 9 3.672 3.963 -0.291 1
2 126 . 13 1 1 A 14 14 LYS CB C 9 31.685 31.987 -0.302 1
2 138 . 13 1 1 A 14 14 LYS C C 9 177.615 177.839 -0.224 1
2 139 . 13 1 1 A 15 15 ASP N N 10 117.613 119.440 -1.827 1
2 140 . 13 1 1 A 15 15 ASP H H 10 7.732 8.062 -0.330 1
2 141 . 13 1 1 A 15 15 ASP CA C 10 56.175 57.407 -1.232 1
2 142 . 13 1 1 A 15 15 ASP HA H 10 4.307 4.185 0.122 1
2 143 . 13 1 1 A 15 15 ASP CB C 10 40.056 41.653 -1.597 1
2 146 . 13 1 1 A 15 15 ASP C C 10 177.650 178.495 -0.845 1
2 147 . 13 1 1 A 16 16 LYS N N 11 117.878 119.123 -1.245 1
2 148 . 13 1 1 A 16 16 LYS H H 11 7.254 7.617 -0.363 1
2 149 . 13 1 1 A 16 16 LYS CA C 11 58.962 58.718 0.244 1
2 150 . 13 1 1 A 16 16 LYS HA H 11 3.645 3.358 0.287 1
2 151 . 13 1 1 A 16 16 LYS CB C 11 32.951 31.800 1.151 1
2 160 . 13 1 1 A 16 16 LYS C C 11 177.263 177.788 -0.525 1
2 161 . 13 1 1 A 17 17 LEU N N 12 115.652 121.669 -6.017 1
2 162 . 13 1 1 A 17 17 LEU H H 12 8.138 8.276 -0.138 1
2 163 . 13 1 1 A 17 17 LEU CA C 12 56.726 58.101 -1.375 1
2 164 . 13 1 1 A 17 17 LEU HA H 12 3.579 4.056 -0.477 1
2 165 . 13 1 1 A 17 17 LEU CB C 12 41.959 41.475 0.484 1
2 176 . 13 1 1 A 17 17 LEU C C 12 177.485 178.448 -0.963 1
2 177 . 13 1 1 A 18 18 ALA N N 13 116.044 120.629 -4.585 1
2 178 . 13 1 1 A 18 18 ALA H H 13 7.080 8.464 -1.384 1
2 179 . 13 1 1 A 18 18 ALA CA C 13 53.389 54.575 -1.186 1
2 180 . 13 1 1 A 18 18 ALA HA H 13 3.963 4.075 -0.112 1
2 184 . 13 1 1 A 18 18 ALA CB C 13 18.161 18.512 -0.351 1
2 185 . 13 1 1 A 18 18 ALA C C 13 178.207 179.495 -1.288 1
2 186 . 13 1 1 A 19 19 TYR N N 14 115.556 119.368 -3.812 1
2 187 . 13 1 1 A 19 19 TYR H H 14 7.675 7.571 0.104 1
2 188 . 13 1 1 A 19 19 TYR CA C 14 58.647 59.904 -1.257 1
2 189 . 13 1 1 A 19 19 TYR HA H 14 4.304 4.189 0.115 1
2 190 . 13 1 1 A 19 19 TYR CB C 14 38.609 38.999 -0.390 1
2 199 . 13 1 1 A 19 19 TYR C C 14 175.911 175.923 -0.012 1
2 200 . 13 1 1 A 20 20 PHE N N 15 118.275 119.519 -1.244 1
2 201 . 13 1 1 A 20 20 PHE H H 15 7.406 7.596 -0.190 1
2 202 . 13 1 1 A 20 20 PHE CA C 15 56.615 57.168 -0.553 1
2 203 . 13 1 1 A 20 20 PHE HA H 15 4.649 4.717 -0.068 1
2 204 . 13 1 1 A 20 20 PHE CB C 15 38.750 40.422 -1.672 1
2 215 . 13 1 1 A 20 20 PHE C C 15 176.160 175.672 0.488 1
2 216 . 13 1 1 A 21 21 ARG N N 16 119.140 121.911 -2.771 1
2 217 . 13 1 1 A 21 21 ARG H H 16 8.714 8.669 0.045 1
2 218 . 13 1 1 A 21 21 ARG CA C 16 54.349 56.300 -1.951 1
2 219 . 13 1 1 A 21 21 ARG HA H 16 4.751 4.347 0.404 1
2 220 . 13 1 1 A 21 21 ARG CB C 16 30.097 31.282 -1.185 1
2 236 . 13 1 1 A 21 21 ARG C C 16 177.095 177.759 -0.664 1
2 237 . 13 1 1 A 22 22 ILE N N 17 120.734 122.080 -1.346 1
2 238 . 13 1 1 A 22 22 ILE H H 17 8.708 8.765 -0.057 1
2 239 . 13 1 1 A 22 22 ILE CA C 17 65.145 64.740 0.405 1
2 240 . 13 1 1 A 22 22 ILE HA H 17 3.720 3.710 0.010 1
2 241 . 13 1 1 A 22 22 ILE CB C 17 36.857 37.680 -0.823 1
2 254 . 13 1 1 A 22 22 ILE C C 17 176.745 177.964 -1.219 1
2 255 . 13 1 1 A 23 23 LYS N N 18 118.184 121.731 -3.547 1
2 256 . 13 1 1 A 23 23 LYS H H 18 8.267 8.210 0.057 1
2 257 . 13 1 1 A 23 23 LYS CA C 18 59.829 59.719 0.110 1
2 258 . 13 1 1 A 23 23 LYS HA H 18 3.897 3.932 -0.035 1
2 259 . 13 1 1 A 23 23 LYS CB C 18 32.268 32.445 -0.177 1
2 271 . 13 1 1 A 23 23 LYS C C 18 178.159 178.842 -0.683 1
2 272 . 13 1 1 A 24 24 GLU N N 19 117.654 119.176 -1.522 1
2 273 . 13 1 1 A 24 24 GLU H H 19 7.198 7.961 -0.763 1
2 274 . 13 1 1 A 24 24 GLU CA C 19 60.612 59.260 1.352 1
2 275 . 13 1 1 A 24 24 GLU HA H 19 4.030 4.074 -0.044 1
2 276 . 13 1 1 A 24 24 GLU CB C 19 28.859 29.575 -0.716 1
2 282 . 13 1 1 A 24 24 GLU C C 19 178.521 178.860 -0.339 1
2 283 . 13 1 1 A 25 25 LEU N N 20 119.236 120.426 -1.190 1
2 284 . 13 1 1 A 25 25 LEU H H 20 7.980 8.277 -0.297 1
2 285 . 13 1 1 A 25 25 LEU CA C 20 57.676 57.663 0.013 1
2 286 . 13 1 1 A 25 25 LEU HA H 20 3.904 3.957 -0.053 1
2 287 . 13 1 1 A 25 25 LEU CB C 20 42.218 41.740 0.478 1
2 294 . 13 1 1 A 25 25 LEU C C 20 177.990 178.966 -0.976 1
2 295 . 13 1 1 A 26 26 LYS N N 21 117.457 118.893 -1.436 1
2 296 . 13 1 1 A 26 26 LYS H H 21 8.770 8.765 0.005 1
2 297 . 13 1 1 A 26 26 LYS CA C 21 60.660 60.049 0.611 1
2 298 . 13 1 1 A 26 26 LYS HA H 21 3.787 3.906 -0.119 1
2 299 . 13 1 1 A 26 26 LYS CB C 21 31.876 32.200 -0.324 1
2 300 . 13 1 1 A 26 26 LYS C C 21 177.625 178.200 -0.575 1
2 301 . 13 1 1 A 27 27 ASP N N 22 119.023 119.502 -0.479 1
2 302 . 13 1 1 A 27 27 ASP H H 22 7.671 8.446 -0.775 1
2 303 . 13 1 1 A 27 27 ASP CA C 22 56.974 57.152 -0.178 1
2 304 . 13 1 1 A 27 27 ASP HA H 22 4.392 4.340 0.052 1
2 305 . 13 1 1 A 27 27 ASP CB C 22 40.250 40.630 -0.380 1
2 308 . 13 1 1 A 27 27 ASP C C 22 180.796 179.045 1.751 1
2 309 . 13 1 1 A 28 28 ILE N N 23 119.318 120.009 -0.691 1
2 310 . 13 1 1 A 28 28 ILE H H 23 8.039 7.912 0.127 1
2 311 . 13 1 1 A 28 28 ILE CA C 23 65.365 65.312 0.053 1
2 312 . 13 1 1 A 28 28 ILE HA H 23 3.587 3.669 -0.082 1
2 313 . 13 1 1 A 28 28 ILE CB C 23 37.408 37.868 -0.460 1
2 326 . 13 1 1 A 28 28 ILE C C 23 177.265 178.319 -1.054 1
2 327 . 13 1 1 A 29 29 LEU N N 24 120.356 120.941 -0.585 1
2 328 . 13 1 1 A 29 29 LEU H H 24 8.220 8.524 -0.304 1
2 329 . 13 1 1 A 29 29 LEU CA C 24 58.562 57.980 0.582 1
2 330 . 13 1 1 A 29 29 LEU HA H 24 3.806 3.938 -0.132 1
2 331 . 13 1 1 A 29 29 LEU CB C 24 39.477 41.345 -1.868 1
2 339 . 13 1 1 A 29 29 LEU C C 24 178.572 178.351 0.221 1
2 340 . 13 1 1 A 30 30 ASN N N 25 117.446 117.312 0.134 1
2 341 . 13 1 1 A 30 30 ASN H H 25 8.688 8.456 0.232 1
2 342 . 13 1 1 A 30 30 ASN CA C 25 56.092 56.530 -0.438 1
2 343 . 13 1 1 A 30 30 ASN HA H 25 4.493 4.399 0.094 1
2 344 . 13 1 1 A 30 30 ASN CB C 25 38.809 38.981 -0.172 1
2 351 . 13 1 1 A 30 30 ASN C C 25 178.884 178.094 0.790 1
2 352 . 13 1 1 A 31 31 GLN N N 26 119.946 118.433 1.513 1
2 353 . 13 1 1 A 31 31 GLN H H 26 8.184 7.931 0.253 1
2 354 . 13 1 1 A 31 31 GLN CA C 26 58.786 58.843 -0.057 1
2 355 . 13 1 1 A 31 31 GLN HA H 26 4.041 4.046 -0.005 1
2 356 . 13 1 1 A 31 31 GLN CB C 26 29.089 27.956 1.133 1
2 366 . 13 1 1 A 31 31 GLN C C 26 177.656 179.425 -1.769 1
2 367 . 13 1 1 A 32 32 LEU N N 27 116.979 117.715 -0.736 1
2 368 . 13 1 1 A 32 32 LEU H H 27 7.893 7.855 0.038 1
2 369 . 13 1 1 A 32 32 LEU CA C 27 54.545 56.150 -1.605 1
2 370 . 13 1 1 A 32 32 LEU HA H 27 4.227 4.433 -0.206 1
2 371 . 13 1 1 A 32 32 LEU CB C 27 42.063 42.398 -0.335 1
2 382 . 13 1 1 A 32 32 LEU C C 27 175.733 177.219 -1.486 1
2 383 . 13 1 1 A 33 33 GLY N N 28 108.299 106.749 1.550 1
2 384 . 13 1 1 A 33 33 GLY H H 28 7.834 8.181 -0.347 1
2 385 . 13 1 1 A 33 33 GLY CA C 28 45.707 46.398 -0.691 1
2 386 . 13 1 1 A 33 33 GLY HA2 H 28 3.952 3.976 -0.024 1
2 387 . 13 1 1 A 33 33 GLY HA3 H 28 3.952 3.977 -0.025 1
2 388 . 13 1 1 A 33 33 GLY C C 28 174.317 174.712 -0.395 1
2 389 . 13 1 1 A 34 34 LEU N N 29 120.833 114.919 5.914 1
2 390 . 13 1 1 A 34 34 LEU H H 29 7.986 7.218 0.768 1
2 391 . 13 1 1 A 34 34 LEU CA C 29 51.558 51.789 -0.231 1
2 392 . 13 1 1 A 34 34 LEU HA H 29 4.744 4.763 -0.019 1
2 393 . 13 1 1 A 34 34 LEU CB C 29 43.525 42.039 1.486 1
2 405 . 13 1 1 A 35 35 PRO CA C 30 62.707 62.661 0.046 1
2 406 . 13 1 1 A 35 35 PRO HA H 30 4.351 4.503 -0.152 1
2 407 . 13 1 1 A 35 35 PRO CB C 30 31.919 32.606 -0.687 1
2 415 . 13 1 1 A 35 35 PRO C C 30 177.488 177.106 0.382 1
2 416 . 13 1 1 A 36 36 LYS N N 31 117.590 120.484 -2.894 1
2 417 . 13 1 1 A 36 36 LYS H H 31 8.380 8.835 -0.455 1
2 418 . 13 1 1 A 36 36 LYS CA C 31 55.660 56.935 -1.275 1
2 419 . 13 1 1 A 36 36 LYS HA H 31 4.286 3.943 0.343 1
2 420 . 13 1 1 A 36 36 LYS CB C 31 33.239 30.974 2.265 1
2 430 . 13 1 1 A 36 36 LYS C C 31 174.384 175.413 -1.029 1
2 431 . 13 1 1 A 37 37 GLN N N 32 118.260 117.234 1.026 1
2 432 . 13 1 1 A 37 37 GLN H H 32 7.698 7.706 -0.008 1
2 433 . 13 1 1 A 37 37 GLN CA C 32 55.550 53.788 1.762 1
2 434 . 13 1 1 A 37 37 GLN HA H 32 4.376 4.905 -0.529 1
2 435 . 13 1 1 A 37 37 GLN CB C 32 28.221 31.929 -3.708 1
2 445 . 13 1 1 A 37 37 GLN C C 32 175.222 175.511 -0.289 1
2 446 . 13 1 1 A 38 38 GLY N N 33 109.855 107.532 2.323 1
2 447 . 13 1 1 A 38 38 GLY H H 33 8.449 8.339 0.110 1
2 448 . 13 1 1 A 38 38 GLY CA C 33 43.235 44.427 -1.192 1
2 449 . 13 1 1 A 38 38 GLY HA2 H 33 4.566 4.106 0.460 1
2 450 . 13 1 1 A 38 38 GLY HA3 H 33 3.789 4.106 -0.317 1
2 451 . 13 1 1 A 38 38 GLY C C 33 173.603 173.079 0.524 1
2 452 . 13 1 1 A 39 39 LYS N N 34 117.627 119.614 -1.987 1
2 453 . 13 1 1 A 39 39 LYS H H 34 8.649 8.382 0.267 1
2 454 . 13 1 1 A 39 39 LYS CA C 34 54.563 54.201 0.362 1
2 455 . 13 1 1 A 39 39 LYS HA H 34 4.394 4.578 -0.184 1
2 456 . 13 1 1 A 39 39 LYS CB C 34 32.892 33.573 -0.681 1
2 468 . 13 1 1 A 39 39 LYS C C 34 176.803 178.149 -1.346 1
2 469 . 13 1 1 A 40 40 LYS N N 35 121.705 119.119 2.586 1
2 470 . 13 1 1 A 40 40 LYS H H 35 8.920 8.622 0.298 1
2 471 . 13 1 1 A 40 40 LYS CA C 35 61.559 59.297 2.262 1
2 472 . 13 1 1 A 40 40 LYS HA H 35 3.597 3.956 -0.359 1
2 473 . 13 1 1 A 40 40 LYS CB C 35 31.953 32.261 -0.308 1
2 485 . 13 1 1 A 40 40 LYS C C 35 177.362 178.358 -0.996 1
2 486 . 13 1 1 A 41 41 GLN N N 36 114.637 118.605 -3.968 1
2 487 . 13 1 1 A 41 41 GLN H H 36 9.017 7.877 1.140 1
2 488 . 13 1 1 A 41 41 GLN CA C 36 57.638 58.594 -0.956 1
2 489 . 13 1 1 A 41 41 GLN HA H 36 3.719 4.059 -0.340 1
2 490 . 13 1 1 A 41 41 GLN CB C 36 27.865 28.389 -0.524 1
2 500 . 13 1 1 A 41 41 GLN C C 36 176.975 178.737 -1.762 1
2 501 . 13 1 1 A 42 42 ASP N N 37 115.984 119.969 -3.985 1
2 502 . 13 1 1 A 42 42 ASP H H 37 7.049 7.971 -0.922 1
2 503 . 13 1 1 A 42 42 ASP CA C 37 56.424 57.365 -0.941 1
2 504 . 13 1 1 A 42 42 ASP HA H 37 4.303 4.403 -0.100 1
2 505 . 13 1 1 A 42 42 ASP CB C 37 39.955 41.001 -1.046 1
2 508 . 13 1 1 A 42 42 ASP C C 37 178.454 178.884 -0.430 1
2 509 . 13 1 1 A 43 43 LEU N N 38 119.074 120.530 -1.456 1
2 510 . 13 1 1 A 43 43 LEU H H 38 7.725 8.128 -0.403 1
2 511 . 13 1 1 A 43 43 LEU CA C 38 57.716 58.012 -0.296 1
2 512 . 13 1 1 A 43 43 LEU HA H 38 3.794 3.985 -0.191 1
2 513 . 13 1 1 A 43 43 LEU CB C 38 40.211 42.300 -2.089 1
2 526 . 13 1 1 A 43 43 LEU C C 38 177.872 179.118 -1.246 1
2 527 . 13 1 1 A 44 44 ILE N N 39 118.343 118.445 -0.102 1
2 528 . 13 1 1 A 44 44 ILE H H 39 7.867 8.116 -0.249 1
2 529 . 13 1 1 A 44 44 ILE CA C 39 66.211 65.872 0.339 1
2 530 . 13 1 1 A 44 44 ILE HA H 39 3.319 3.512 -0.193 1
2 531 . 13 1 1 A 44 44 ILE CB C 39 37.985 37.745 0.240 1
2 541 . 13 1 1 A 44 44 ILE C C 39 177.711 177.859 -0.148 1
2 542 . 13 1 1 A 45 45 ASP N N 40 118.535 120.706 -2.171 1
2 543 . 13 1 1 A 45 45 ASP H H 40 8.503 8.396 0.107 1
2 544 . 13 1 1 A 45 45 ASP CA C 40 56.817 57.404 -0.587 1
2 545 . 13 1 1 A 45 45 ASP HA H 40 4.256 4.432 -0.176 1
2 546 . 13 1 1 A 45 45 ASP CB C 40 39.815 41.733 -1.918 1
2 549 . 13 1 1 A 45 45 ASP C C 40 178.464 178.713 -0.249 1
2 550 . 13 1 1 A 46 46 ARG N N 41 120.910 119.943 0.967 1
2 551 . 13 1 1 A 46 46 ARG H H 41 7.717 7.836 -0.119 1
2 552 . 13 1 1 A 46 46 ARG CA C 41 59.054 59.584 -0.530 1
2 553 . 13 1 1 A 46 46 ARG HA H 41 3.993 4.067 -0.074 1
2 554 . 13 1 1 A 46 46 ARG CB C 41 29.778 29.838 -0.060 1
2 563 . 13 1 1 A 46 46 ARG C C 41 177.565 178.714 -1.149 1
2 564 . 13 1 1 A 47 47 VAL N N 42 117.438 119.778 -2.340 1
2 565 . 13 1 1 A 47 47 VAL H H 42 7.445 7.909 -0.464 1
2 566 . 13 1 1 A 47 47 VAL CA C 42 66.095 66.384 -0.289 1
2 567 . 13 1 1 A 47 47 VAL HA H 42 3.446 3.664 -0.218 1
2 568 . 13 1 1 A 47 47 VAL CB C 42 31.113 31.748 -0.635 1
2 578 . 13 1 1 A 47 47 VAL C C 42 177.710 178.269 -0.559 1
2 579 . 13 1 1 A 48 48 LEU N N 43 117.085 118.142 -1.057 1
2 580 . 13 1 1 A 48 48 LEU H H 43 8.466 8.078 0.388 1
2 581 . 13 1 1 A 48 48 LEU CA C 43 57.406 57.800 -0.394 1
2 582 . 13 1 1 A 48 48 LEU HA H 43 3.851 3.915 -0.064 1
2 583 . 13 1 1 A 48 48 LEU CB C 43 40.779 41.158 -0.379 1
2 596 . 13 1 1 A 48 48 LEU C C 43 179.581 179.311 0.270 1
2 597 . 13 1 1 A 49 49 ALA N N 44 120.480 121.808 -1.328 1
2 598 . 13 1 1 A 49 49 ALA H H 44 7.952 7.944 0.008 1
2 599 . 13 1 1 A 49 49 ALA CA C 44 53.998 55.258 -1.260 1
2 600 . 13 1 1 A 49 49 ALA HA H 44 4.104 4.009 0.095 1
2 604 . 13 1 1 A 49 49 ALA CB C 44 17.685 18.209 -0.524 1
2 605 . 13 1 1 A 49 49 ALA C C 44 178.926 179.966 -1.040 1
2 606 . 13 1 1 A 50 50 LEU N N 45 115.306 118.829 -3.523 1
2 607 . 13 1 1 A 50 50 LEU H H 45 7.428 8.078 -0.650 1
2 608 . 13 1 1 A 50 50 LEU CA C 45 55.650 57.996 -2.346 1
2 609 . 13 1 1 A 50 50 LEU HA H 45 4.206 3.985 0.221 1
2 610 . 13 1 1 A 50 50 LEU CB C 45 41.937 42.365 -0.428 1
2 623 . 13 1 1 A 50 50 LEU C C 45 177.840 178.642 -0.802 1
2 624 . 13 1 1 A 51 51 LEU N N 46 115.880 116.632 -0.752 1
2 625 . 13 1 1 A 51 51 LEU H H 46 7.642 8.092 -0.450 1
2 626 . 13 1 1 A 51 51 LEU CA C 46 54.861 57.297 -2.436 1
2 627 . 13 1 1 A 51 51 LEU HA H 46 4.260 4.160 0.100 1
2 628 . 13 1 1 A 51 51 LEU CB C 46 42.228 41.571 0.657 1
2 638 . 13 1 1 A 51 51 LEU C C 46 176.015 179.412 -3.397 1
2 639 . 13 1 1 A 52 52 THR N N 47 109.201 115.241 -6.040 1
2 640 . 13 1 1 A 52 52 THR H H 47 7.515 7.927 -0.412 1
2 641 . 13 1 1 A 52 52 THR CA C 47 60.972 65.949 -4.977 1
2 642 . 13 1 1 A 52 52 THR HA H 47 4.345 4.007 0.338 1
2 643 . 13 1 1 A 52 52 THR CB C 47 69.620 69.027 0.593 1
2 649 . 13 1 1 A 52 52 THR C C 47 173.733 176.077 -2.344 1
2 650 . 13 1 1 A 53 53 ASP N N 48 122.188 120.932 1.256 1
2 651 . 13 1 1 A 53 53 ASP H H 48 8.280 9.043 -0.763 1
2 652 . 13 1 1 A 53 53 ASP CA C 48 54.205 57.270 -3.065 1
2 653 . 13 1 1 A 53 53 ASP HA H 48 4.686 4.389 0.297 1
2 654 . 13 1 1 A 53 53 ASP CB C 48 40.766 40.601 0.165 1
2 658 . 13 1 1 A 53 53 ASP C C 48 176.000 178.357 -2.357 1
2 659 . 13 1 1 A 54 54 GLU N N 49 121.966 118.354 3.612 1
2 660 . 13 1 1 A 54 54 GLU H H 49 8.589 8.355 0.234 1
2 661 . 13 1 1 A 54 54 GLU CA C 49 56.448 58.669 -2.221 1
2 662 . 13 1 1 A 54 54 GLU HA H 49 4.234 4.442 -0.208 1
2 663 . 13 1 1 A 54 54 GLU CB C 49 29.642 29.572 0.070 1
2 669 . 13 1 1 A 54 54 GLU C C 49 176.522 178.573 -2.051 1
2 670 . 13 1 1 A 55 55 GLN N N 50 120.727 117.266 3.461 1
2 671 . 13 1 1 A 55 55 GLN H H 50 8.642 8.834 -0.192 1
2 672 . 13 1 1 A 55 55 GLN CA C 50 56.251 57.043 -0.792 1
2 673 . 13 1 1 A 55 55 GLN HA H 50 4.217 4.260 -0.043 1
2 674 . 13 1 1 A 55 55 GLN CB C 50 28.555 27.450 1.105 1
2 684 . 13 1 1 A 55 55 GLN C C 50 176.519 177.714 -1.195 1
2 685 . 13 1 1 A 56 56 GLY N N 51 109.357 109.790 -0.433 1
2 686 . 13 1 1 A 56 56 GLY H H 51 8.519 8.290 0.229 1
2 687 . 13 1 1 A 56 56 GLY CA C 51 45.276 47.083 -1.807 1
2 688 . 13 1 1 A 56 56 GLY HA2 H 51 3.950 3.961 -0.011 1
2 689 . 13 1 1 A 56 56 GLY HA3 H 51 3.809 3.974 -0.165 1
2 690 . 13 1 1 A 56 56 GLY C C 51 174.146 174.794 -0.648 1
2 691 . 13 1 1 A 57 57 GLN N N 52 119.207 117.582 1.625 1
2 692 . 13 1 1 A 57 57 GLN H H 52 8.263 7.155 1.108 1
2 693 . 13 1 1 A 57 57 GLN CA C 52 55.572 55.990 -0.418 1
2 694 . 13 1 1 A 57 57 GLN HA H 52 4.203 4.520 -0.317 1
2 695 . 13 1 1 A 57 57 GLN CB C 52 28.656 31.075 -2.419 1
2 705 . 13 1 1 A 57 57 GLN C C 52 175.872 175.399 0.473 1
2 706 . 13 1 1 A 58 58 ARG N N 53 120.525 116.799 3.726 1
2 707 . 13 1 1 A 58 58 ARG H H 53 8.279 7.967 0.312 1
2 708 . 13 1 1 A 58 58 ARG CA C 53 55.883 57.085 -1.202 1
2 709 . 13 1 1 A 58 58 ARG HA H 53 4.176 4.019 0.157 1
2 710 . 13 1 1 A 58 58 ARG CB C 53 30.031 26.860 3.171 1
2 721 . 13 1 1 A 58 58 ARG C C 53 175.820 174.760 1.060 1
2 722 . 13 1 1 A 59 59 HIS N N 54 118.905 117.732 1.173 1
2 723 . 13 1 1 A 59 59 HIS H H 54 8.398 7.849 0.549 1
2 724 . 13 1 1 A 59 59 HIS CA C 54 54.908 54.955 -0.047 1
2 725 . 13 1 1 A 59 59 HIS HA H 54 4.548 4.637 -0.089 1
2 726 . 13 1 1 A 59 59 HIS CB C 54 28.953 30.965 -2.012 1
2 729 . 13 1 1 A 59 59 HIS C C 54 174.136 173.730 0.406 1
2 730 . 13 1 1 A 60 60 HIS N N 55 119.527 117.106 2.421 1
2 731 . 13 1 1 A 60 60 HIS H H 55 8.493 7.275 1.218 1
2 732 . 13 1 1 A 60 60 HIS CA C 55 55.274 55.588 -0.314 1
2 733 . 13 1 1 A 60 60 HIS HA H 55 4.552 3.887 0.665 1
2 734 . 13 1 1 A 60 60 HIS CB C 55 28.913 30.483 -1.570 1
2 737 . 13 1 1 A 60 60 HIS C C 55 174.595 175.227 -0.632 1
2 738 . 13 1 1 A 61 61 GLY N N 56 110.215 107.174 3.041 1
2 739 . 13 1 1 A 61 61 GLY H H 56 8.604 7.584 1.020 1
2 740 . 13 1 1 A 61 61 GLY CA C 56 44.977 45.124 -0.147 1
2 741 . 13 1 1 A 61 61 GLY HA2 H 56 3.956 3.739 0.217 1
2 742 . 13 1 1 A 61 61 GLY HA3 H 56 3.831 3.774 0.057 1
2 743 . 13 1 1 A 61 61 GLY C C 56 173.752 174.434 -0.682 1
2 744 . 13 1 1 A 62 62 TRP N N 57 120.700 118.384 2.316 1
2 745 . 13 1 1 A 62 62 TRP H H 57 8.175 7.251 0.924 1
2 746 . 13 1 1 A 62 62 TRP CA C 57 56.929 58.035 -1.106 1
2 747 . 13 1 1 A 62 62 TRP HA H 57 4.663 4.708 -0.045 1
2 748 . 13 1 1 A 62 62 TRP CB C 57 29.142 30.998 -1.856 1
2 763 . 13 1 1 A 62 62 TRP C C 57 176.442 177.447 -1.005 1
2 764 . 13 1 1 A 63 63 GLY N N 58 110.195 108.660 1.535 1
2 765 . 13 1 1 A 63 63 GLY H H 58 8.452 8.604 -0.152 1
2 766 . 13 1 1 A 63 63 GLY CA C 58 45.052 46.046 -0.994 1
2 767 . 13 1 1 A 63 63 GLY HA2 H 58 3.925 3.956 -0.031 1
2 768 . 13 1 1 A 63 63 GLY HA3 H 58 3.833 4.041 -0.208 1
2 769 . 13 1 1 A 63 63 GLY C C 58 173.738 174.501 -0.763 1
2 770 . 13 1 1 A 64 64 ARG N N 59 120.374 120.153 0.221 1
2 771 . 13 1 1 A 64 64 ARG H H 59 8.136 8.337 -0.201 1
2 772 . 13 1 1 A 64 64 ARG CA C 59 55.799 55.988 -0.189 1
2 773 . 13 1 1 A 64 64 ARG HA H 59 4.287 4.491 -0.204 1
2 774 . 13 1 1 A 64 64 ARG CB C 59 30.371 30.996 -0.625 1
2 785 . 13 1 1 A 64 64 ARG C C 59 176.287 176.798 -0.511 1
2 786 . 13 1 1 A 65 65 LYS N N 60 121.593 115.958 5.635 1
2 787 . 13 1 1 A 65 65 LYS H H 60 8.483 8.109 0.374 1
2 788 . 13 1 1 A 65 65 LYS CA C 60 56.353 57.037 -0.684 1
2 789 . 13 1 1 A 65 65 LYS HA H 60 4.218 4.462 -0.244 1
2 790 . 13 1 1 A 65 65 LYS CB C 60 32.260 33.456 -1.196 1
2 796 . 13 1 1 A 65 65 LYS C C 60 176.102 177.083 -0.981 1
2 797 . 13 1 1 A 66 66 ASN N N 61 118.654 117.210 1.444 1
2 798 . 13 1 1 A 66 66 ASN H H 61 8.413 8.003 0.410 1
2 799 . 13 1 1 A 66 66 ASN CA C 61 53.055 52.031 1.024 1
2 800 . 13 1 1 A 66 66 ASN HA H 61 4.639 4.949 -0.310 1
2 801 . 13 1 1 A 66 66 ASN CB C 61 38.385 39.701 -1.316 1
2 808 . 13 1 1 A 66 66 ASN C C 61 174.531 175.435 -0.904 1
2 809 . 13 1 1 A 67 67 SER N N 62 115.491 113.792 1.699 1
2 810 . 13 1 1 A 67 67 SER H H 62 8.288 8.056 0.232 1
2 811 . 13 1 1 A 67 67 SER CA C 62 57.980 59.339 -1.359 1
2 812 . 13 1 1 A 67 67 SER HA H 62 4.283 4.165 0.118 1
2 813 . 13 1 1 A 67 67 SER CB C 62 63.205 62.008 1.197 1
2 816 . 13 1 1 A 67 67 SER C C 62 173.864 173.133 0.731 1
2 817 . 13 1 1 A 68 68 LEU N N 63 123.549 116.767 6.782 1
2 818 . 13 1 1 A 68 68 LEU H H 63 8.063 7.458 0.605 1
2 819 . 13 1 1 A 68 68 LEU CA C 63 54.098 53.650 0.448 1
2 820 . 13 1 1 A 68 68 LEU HA H 63 4.481 4.804 -0.323 1
2 821 . 13 1 1 A 68 68 LEU CB C 63 42.494 44.949 -2.455 1
2 834 . 13 1 1 A 68 68 LEU C C 63 176.532 174.991 1.541 1
2 835 . 13 1 1 A 69 69 THR N N 64 112.637 111.340 1.297 1
2 836 . 13 1 1 A 69 69 THR H H 64 7.797 8.696 -0.899 1
2 837 . 13 1 1 A 69 69 THR CA C 64 59.915 59.848 0.067 1
2 838 . 13 1 1 A 69 69 THR HA H 64 4.490 4.747 -0.257 1
2 839 . 13 1 1 A 69 69 THR CB C 64 70.852 70.964 -0.112 1
2 845 . 13 1 1 A 69 69 THR C C 64 174.998 174.768 0.230 1
2 846 . 13 1 1 A 70 70 LYS N N 65 120.128 120.051 0.077 1
2 847 . 13 1 1 A 70 70 LYS H H 65 9.059 8.498 0.561 1
2 848 . 13 1 1 A 70 70 LYS CA C 65 59.535 58.699 0.836 1
2 849 . 13 1 1 A 70 70 LYS HA H 65 3.909 3.872 0.037 1
2 850 . 13 1 1 A 70 70 LYS CB C 65 31.890 31.604 0.286 1
2 858 . 13 1 1 A 70 70 LYS C C 65 177.536 178.298 -0.762 1
2 859 . 13 1 1 A 71 71 GLU N N 66 117.667 119.412 -1.745 1
2 860 . 13 1 1 A 71 71 GLU H H 66 8.699 8.478 0.221 1
2 861 . 13 1 1 A 71 71 GLU CA C 66 60.199 59.180 1.019 1
2 862 . 13 1 1 A 71 71 GLU HA H 66 3.806 4.011 -0.205 1
2 863 . 13 1 1 A 71 71 GLU CB C 66 27.986 29.678 -1.692 1
2 870 . 13 1 1 A 71 71 GLU C C 66 178.416 179.016 -0.600 1
2 871 . 13 1 1 A 72 72 ALA N N 67 123.924 122.451 1.473 1
2 872 . 13 1 1 A 72 72 ALA H H 67 7.992 7.296 0.696 1
2 873 . 13 1 1 A 72 72 ALA CA C 67 54.477 54.976 -0.499 1
2 874 . 13 1 1 A 72 72 ALA HA H 67 4.110 4.072 0.038 1
2 878 . 13 1 1 A 72 72 ALA CB C 67 18.301 18.465 -0.164 1
2 879 . 13 1 1 A 72 72 ALA C C 67 178.721 179.503 -0.782 1
2 880 . 13 1 1 A 73 73 VAL N N 68 119.434 117.808 1.626 1
2 881 . 13 1 1 A 73 73 VAL H H 68 8.044 7.936 0.108 1
2 882 . 13 1 1 A 73 73 VAL CA C 68 66.089 66.545 -0.456 1
2 883 . 13 1 1 A 73 73 VAL HA H 68 3.473 3.522 -0.049 1
2 884 . 13 1 1 A 73 73 VAL CB C 68 31.150 31.516 -0.366 1
2 894 . 13 1 1 A 73 73 VAL C C 68 177.001 178.441 -1.440 1
2 895 . 13 1 1 A 74 74 ALA N N 69 120.671 121.563 -0.892 1
2 896 . 13 1 1 A 74 74 ALA H H 69 8.407 8.404 0.003 1
2 897 . 13 1 1 A 74 74 ALA CA C 69 54.727 55.033 -0.306 1
2 898 . 13 1 1 A 74 74 ALA HA H 69 3.968 4.114 -0.146 1
2 902 . 13 1 1 A 74 74 ALA CB C 69 18.066 18.154 -0.088 1
2 903 . 13 1 1 A 74 74 ALA C C 69 178.820 179.701 -0.881 1
2 904 . 13 1 1 A 75 75 LYS N N 70 118.624 118.153 0.471 1
2 905 . 13 1 1 A 75 75 LYS H H 70 7.930 7.881 0.049 1
2 906 . 13 1 1 A 75 75 LYS CA C 70 58.807 59.766 -0.959 1
2 907 . 13 1 1 A 75 75 LYS HA H 70 4.086 4.048 0.038 1
2 908 . 13 1 1 A 75 75 LYS CB C 70 31.776 32.321 -0.545 1
2 918 . 13 1 1 A 75 75 LYS C C 70 177.424 179.103 -1.679 1
2 919 . 13 1 1 A 76 76 ILE N N 71 120.234 119.879 0.355 1
2 920 . 13 1 1 A 76 76 ILE H H 71 7.478 7.758 -0.280 1
2 921 . 13 1 1 A 76 76 ILE CA C 71 64.885 64.747 0.138 1
2 922 . 13 1 1 A 76 76 ILE HA H 71 3.960 3.791 0.169 1
2 923 . 13 1 1 A 76 76 ILE CB C 71 37.810 37.249 0.561 1
2 936 . 13 1 1 A 76 76 ILE C C 71 179.734 178.295 1.439 1
2 937 . 13 1 1 A 77 77 VAL N N 72 122.502 120.232 2.270 1
2 938 . 13 1 1 A 77 77 VAL H H 72 8.325 8.036 0.289 1
2 939 . 13 1 1 A 77 77 VAL CA C 72 67.450 66.856 0.594 1
2 940 . 13 1 1 A 77 77 VAL HA H 72 3.576 4.056 -0.480 1
2 941 . 13 1 1 A 77 77 VAL CB C 72 30.928 31.669 -0.741 1
2 951 . 13 1 1 A 77 77 VAL C C 72 176.906 177.776 -0.870 1
2 952 . 13 1 1 A 78 78 ASP N N 73 120.524 120.392 0.132 1
2 953 . 13 1 1 A 78 78 ASP H H 73 8.798 8.166 0.632 1
2 954 . 13 1 1 A 78 78 ASP CA C 73 58.206 56.902 1.304 1
2 955 . 13 1 1 A 78 78 ASP HA H 73 4.379 4.514 -0.135 1
2 956 . 13 1 1 A 78 78 ASP CB C 73 41.420 40.958 0.462 1
2 960 . 13 1 1 A 78 78 ASP C C 73 178.068 178.525 -0.457 1
2 961 . 13 1 1 A 79 79 ASP N N 74 119.761 119.976 -0.215 1
2 962 . 13 1 1 A 79 79 ASP H H 74 9.318 8.239 1.079 1
2 963 . 13 1 1 A 79 79 ASP CA C 74 57.025 57.282 -0.257 1
2 964 . 13 1 1 A 79 79 ASP HA H 74 4.404 4.356 0.048 1
2 965 . 13 1 1 A 79 79 ASP CB C 74 40.007 40.596 -0.589 1
2 969 . 13 1 1 A 79 79 ASP C C 74 178.813 178.705 0.108 1
2 970 . 13 1 1 A 80 80 THR N N 75 117.342 116.970 0.372 1
2 971 . 13 1 1 A 80 80 THR H H 75 8.084 8.307 -0.223 1
2 972 . 13 1 1 A 80 80 THR CA C 75 66.977 66.479 0.498 1
2 973 . 13 1 1 A 80 80 THR HA H 75 3.826 3.795 0.031 1
2 974 . 13 1 1 A 80 80 THR CB C 75 67.725 68.073 -0.348 1
2 980 . 13 1 1 A 80 80 THR C C 75 175.367 175.735 -0.368 1
2 981 . 13 1 1 A 81 81 TYR N N 76 123.732 120.830 2.902 1
2 982 . 13 1 1 A 81 81 TYR H H 76 8.830 8.237 0.593 1
2 983 . 13 1 1 A 81 81 TYR CA C 76 61.713 61.836 -0.123 1
2 984 . 13 1 1 A 81 81 TYR HA H 76 4.265 4.177 0.088 1
2 985 . 13 1 1 A 81 81 TYR CB C 76 38.849 38.802 0.047 1
2 994 . 13 1 1 A 81 81 TYR C C 76 176.700 177.444 -0.744 1
2 995 . 13 1 1 A 82 82 ARG N N 77 118.508 120.117 -1.609 1
2 996 . 13 1 1 A 82 82 ARG H H 77 8.754 8.746 0.008 1
2 997 . 13 1 1 A 82 82 ARG CA C 77 58.792 58.858 -0.066 1
2 998 . 13 1 1 A 82 82 ARG HA H 77 3.890 4.265 -0.375 1
2 999 . 13 1 1 A 82 82 ARG CB C 77 29.498 30.339 -0.841 1
2 1015 . 13 1 1 A 82 82 ARG C C 77 178.748 178.442 0.306 1
2 1016 . 13 1 1 A 83 83 LYS N N 78 118.079 119.740 -1.661 1
2 1017 . 13 1 1 A 83 83 LYS H H 78 7.696 7.826 -0.130 1
2 1018 . 13 1 1 A 83 83 LYS CA C 78 58.671 59.055 -0.384 1
2 1019 . 13 1 1 A 83 83 LYS HA H 78 4.024 4.100 -0.076 1
2 1020 . 13 1 1 A 83 83 LYS CB C 78 32.057 31.674 0.383 1
2 1026 . 13 1 1 A 83 83 LYS C C 78 177.743 178.703 -0.960 1
2 1027 . 13 1 1 A 84 84 MET N N 79 118.241 119.283 -1.042 1
2 1028 . 13 1 1 A 84 84 MET H H 79 7.748 7.845 -0.097 1
2 1029 . 13 1 1 A 84 84 MET CA C 79 57.209 58.130 -0.921 1
2 1030 . 13 1 1 A 84 84 MET HA H 79 4.170 4.158 0.012 1
2 1031 . 13 1 1 A 84 84 MET CB C 79 32.320 32.939 -0.619 1
2 1041 . 13 1 1 A 84 84 MET C C 79 177.036 176.547 0.489 1
2 1042 . 13 1 1 A 85 85 GLN N N 80 117.242 114.955 2.287 1
2 1043 . 13 1 1 A 85 85 GLN H H 80 7.843 7.359 0.484 1
2 1044 . 13 1 1 A 85 85 GLN CA C 80 56.523 54.677 1.846 1
2 1045 . 13 1 1 A 85 85 GLN HA H 80 3.993 4.476 -0.483 1
2 1046 . 13 1 1 A 85 85 GLN CB C 80 28.240 29.266 -1.026 1
2 1056 . 13 1 1 A 85 85 GLN C C 80 176.690 176.158 0.532 1
2 1057 . 13 1 1 A 86 86 ILE N N 81 119.178 115.035 4.143 1
2 1058 . 13 1 1 A 86 86 ILE H H 81 7.715 7.855 -0.140 1
2 1059 . 13 1 1 A 86 86 ILE CA C 81 62.073 63.712 -1.639 1
2 1060 . 13 1 1 A 86 86 ILE HA H 81 3.934 4.071 -0.137 1
2 1061 . 13 1 1 A 86 86 ILE CB C 81 37.966 36.408 1.558 1
2 1074 . 13 1 1 A 86 86 ILE C C 81 176.673 175.252 1.421 1
2 1075 . 13 1 1 A 87 87 GLN N N 82 121.386 119.968 1.418 1
2 1076 . 13 1 1 A 87 87 GLN H H 82 8.164 8.434 -0.270 1
2 1077 . 13 1 1 A 87 87 GLN CA C 82 55.968 57.057 -1.089 1
2 1078 . 13 1 1 A 87 87 GLN HA H 82 4.214 4.281 -0.067 1
2 1079 . 13 1 1 A 87 87 GLN CB C 82 28.735 28.127 0.608 1
2 1088 . 13 1 1 A 87 87 GLN C C 82 175.836 175.403 0.433 1
2 1089 . 13 1 1 A 88 88 CYS N N 83 118.663 122.286 -3.623 1
2 1090 . 13 1 1 A 88 88 CYS H H 83 8.238 8.441 -0.203 1
2 1091 . 13 1 1 A 88 88 CYS CA C 83 57.997 58.390 -0.393 1
2 1092 . 13 1 1 A 88 88 CYS HA H 83 4.467 4.488 -0.021 1
2 1093 . 13 1 1 A 88 88 CYS CB C 83 27.582 26.221 1.361 1
2 1096 . 13 1 1 A 88 88 CYS C C 83 173.432 174.318 -0.886 1
2 1097 . 13 1 1 A 89 89 ALA N N 84 127.014 124.977 2.037 1
2 1098 . 13 1 1 A 89 89 ALA H H 84 8.249 7.883 0.366 1
2 1099 . 13 1 1 A 89 89 ALA CA C 84 50.607 50.618 -0.011 1
2 1100 . 13 1 1 A 89 89 ALA HA H 84 4.544 4.316 0.228 1
2 1104 . 13 1 1 A 89 89 ALA CB C 84 17.658 19.715 -2.057 1
2 1105 . 13 1 1 A 89 89 ALA C C 84 175.125 177.468 -2.343 1
2 1107 . 13 1 1 A 90 90 PRO CA C 85 62.995 63.699 -0.704 1
2 1108 . 13 1 1 A 90 90 PRO HA H 85 4.373 4.423 -0.050 1
2 1109 . 13 1 1 A 90 90 PRO CB C 85 31.692 31.917 -0.225 1
2 1117 . 13 1 1 A 90 90 PRO C C 85 176.407 177.106 -0.699 1
2 1118 . 13 1 1 A 91 91 ASP N N 86 119.209 118.793 0.416 1
2 1119 . 13 1 1 A 91 91 ASP H H 86 8.429 8.197 0.232 1
2 1120 . 13 1 1 A 91 91 ASP CA C 86 53.752 55.051 -1.299 1
2 1121 . 13 1 1 A 91 91 ASP HA H 86 4.394 4.287 0.107 1
2 1122 . 13 1 1 A 91 91 ASP CB C 86 40.319 39.538 0.781 1
2 1125 . 13 1 1 A 91 91 ASP C C 86 176.101 175.307 0.794 1
2 1126 . 13 1 1 A 92 92 LEU N N 87 122.571 118.396 4.175 1
2 1127 . 13 1 1 A 92 92 LEU H H 87 8.208 8.344 -0.136 1
2 1128 . 13 1 1 A 92 92 LEU CA C 87 55.286 55.892 -0.606 1
2 1129 . 13 1 1 A 92 92 LEU HA H 87 4.204 3.957 0.247 1
2 1130 . 13 1 1 A 92 92 LEU CB C 87 41.786 40.826 0.960 1
2 1143 . 13 1 1 A 92 92 LEU C C 87 177.406 175.723 1.683 1
2 1144 . 13 1 1 A 93 93 ALA N N 88 123.131 116.517 6.614 1
2 1145 . 13 1 1 A 93 93 ALA H H 88 8.305 8.227 0.078 1
2 1146 . 13 1 1 A 93 93 ALA CA C 88 52.876 53.224 -0.348 1
2 1147 . 13 1 1 A 93 93 ALA HA H 88 4.263 3.937 0.326 1
2 1151 . 13 1 1 A 93 93 ALA CB C 88 18.672 17.231 1.441 1
2 1152 . 13 1 1 A 93 93 ALA C C 88 178.033 176.558 1.475 1
2 1153 . 13 1 1 A 94 94 THR N N 89 112.097 102.479 9.618 1
2 1154 . 13 1 1 A 94 94 THR H H 89 7.994 7.916 0.078 1
2 1155 . 13 1 1 A 94 94 THR CA C 89 61.640 61.736 -0.096 1
2 1156 . 13 1 1 A 94 94 THR HA H 89 4.251 4.089 0.162 1
2 1157 . 13 1 1 A 94 94 THR CB C 89 69.063 67.870 1.193 1
2 1163 . 13 1 1 A 94 94 THR C C 89 174.493 174.349 0.144 1
2 1164 . 13 1 1 A 95 95 ARG N N 90 122.704 127.263 -4.559 1
2 1165 . 13 1 1 A 95 95 ARG H H 90 8.211 8.767 -0.556 1
2 1166 . 13 1 1 A 95 95 ARG CA C 90 55.718 55.923 -0.205 1
2 1167 . 13 1 1 A 95 95 ARG HA H 90 4.324 4.557 -0.233 1
2 1168 . 13 1 1 A 95 95 ARG CB C 90 30.309 30.145 0.164 1
2 1179 . 13 1 1 A 95 95 ARG C C 90 175.927 176.563 -0.636 1
2 1180 . 13 1 1 A 96 96 SER N N 91 116.390 115.218 1.172 1
2 1181 . 13 1 1 A 96 96 SER H H 91 8.365 7.697 0.668 1
2 1182 . 13 1 1 A 96 96 SER CA C 91 57.823 57.634 0.189 1
2 1183 . 13 1 1 A 96 96 SER HA H 91 4.356 4.974 -0.618 1
2 1184 . 13 1 1 A 96 96 SER CB C 91 63.214 63.959 -0.745 1
2 1187 . 13 1 1 A 96 96 SER C C 91 174.011 174.784 -0.773 1
2 1188 . 13 1 1 A 97 97 HIS N N 92 120.507 120.347 0.160 1
2 1189 . 13 1 1 A 97 97 HIS H H 92 8.541 8.213 0.328 1
2 1190 . 13 1 1 A 97 97 HIS CA C 92 54.960 58.317 -3.357 1
2 1191 . 13 1 1 A 97 97 HIS HA H 92 4.704 4.415 0.289 1
2 1192 . 13 1 1 A 97 97 HIS CB C 92 28.518 29.880 -1.362 1
2 1197 . 13 1 1 A 97 97 HIS C C 92 174.186 175.599 -1.413 1
2 1198 . 13 1 1 A 98 98 SER N N 93 116.801 109.930 6.871 1
2 1199 . 13 1 1 A 98 98 SER H H 93 8.455 7.682 0.773 1
2 1200 . 13 1 1 A 98 98 SER CA C 93 57.880 57.532 0.348 1
2 1201 . 13 1 1 A 98 98 SER HA H 93 4.445 4.697 -0.252 1
2 1202 . 13 1 1 A 98 98 SER CB C 93 63.434 65.690 -2.256 1
2 1205 . 13 1 1 A 98 98 SER C C 93 174.508 173.027 1.481 1
2 1206 . 13 1 1 A 99 99 GLY N N 94 111.114 113.428 -2.314 1
2 1207 . 13 1 1 A 99 99 GLY H H 94 8.597 8.640 -0.043 1
2 1208 . 13 1 1 A 99 99 GLY CA C 94 44.888 44.507 0.381 1
2 1209 . 13 1 1 A 99 99 GLY HA2 H 94 3.998 4.134 -0.136 1
2 1210 . 13 1 1 A 99 99 GLY HA3 H 94 3.998 4.139 -0.141 1
2 1211 . 13 1 1 A 99 99 GLY C C 94 173.856 174.280 -0.424 1
2 1212 . 13 1 1 A 100 100 SER N N 95 115.398 114.181 1.217 1
2 1213 . 13 1 1 A 100 100 SER H H 95 8.311 8.688 -0.377 1
2 1214 . 13 1 1 A 100 100 SER CA C 95 57.888 60.332 -2.444 1
2 1215 . 13 1 1 A 100 100 SER HA H 95 4.408 4.286 0.122 1
2 1216 . 13 1 1 A 100 100 SER CB C 95 63.328 61.169 2.159 1
2 1219 . 13 1 1 A 100 100 SER C C 95 173.725 174.166 -0.441 1
2 1220 . 13 1 1 A 101 101 ASP N N 96 121.810 118.468 3.342 1
2 1221 . 13 1 1 A 101 101 ASP H H 96 8.380 8.382 -0.002 1
2 1222 . 13 1 1 A 101 101 ASP CA C 96 53.813 54.227 -0.414 1
2 1223 . 13 1 1 A 101 101 ASP HA H 96 4.536 4.932 -0.396 1
2 1224 . 13 1 1 A 101 101 ASP CB C 96 40.438 42.447 -2.009 1
2 1227 . 13 1 1 A 101 101 ASP C C 96 175.524 176.621 -1.097 1
2 1228 . 13 1 1 A 102 102 PHE N N 97 120.706 117.455 3.251 1
2 1229 . 13 1 1 A 102 102 PHE H H 97 8.249 8.053 0.196 1
2 1230 . 13 1 1 A 102 102 PHE CA C 97 57.323 57.664 -0.341 1
2 1231 . 13 1 1 A 102 102 PHE HA H 97 4.527 4.655 -0.128 1
2 1232 . 13 1 1 A 102 102 PHE CB C 97 38.989 39.300 -0.311 1
2 1238 . 13 1 1 A 102 102 PHE C C 97 175.246 176.382 -1.136 1
2 1239 . 13 1 1 A 103 103 SER N N 98 116.992 111.962 5.030 1
2 1240 . 13 1 1 A 103 103 SER H H 98 8.167 7.837 0.330 1
2 1241 . 13 1 1 A 103 103 SER CA C 98 57.883 57.547 0.336 1
2 1242 . 13 1 1 A 103 103 SER HA H 98 4.317 4.811 -0.494 1
2 1243 . 13 1 1 A 103 103 SER CB C 98 63.301 63.350 -0.049 1
2 1246 . 13 1 1 A 103 103 SER C C 98 173.244 173.596 -0.352 1
2 1247 . 13 1 1 A 104 104 PHE N N 99 122.000 121.665 0.335 1
2 1248 . 13 1 1 A 104 104 PHE H H 99 8.170 7.896 0.274 1
2 1249 . 13 1 1 A 104 104 PHE CA C 99 57.236 57.409 -0.173 1
2 1250 . 13 1 1 A 104 104 PHE HA H 99 4.529 4.797 -0.268 1
2 1251 . 13 1 1 A 104 104 PHE CB C 99 38.997 39.428 -0.431 1
2 1257 . 13 1 1 A 104 104 PHE C C 99 174.632 173.601 1.031 1
2 1258 . 13 1 1 A 105 105 ARG N N 100 124.796 124.671 0.125 1
2 1259 . 13 1 1 A 105 105 ARG H H 100 8.101 7.604 0.497 1
2 1260 . 13 1 1 A 105 105 ARG CA C 100 52.969 53.475 -0.506 1
2 1261 . 13 1 1 A 105 105 ARG HA H 100 4.516 4.790 -0.274 1
2 1262 . 13 1 1 A 105 105 ARG CB C 100 30.069 31.559 -1.490 1
2 1271 . 13 1 1 A 105 105 ARG C C 100 172.924 174.027 -1.103 1
2 1273 . 13 1 1 A 106 106 PRO CA C 101 62.673 62.300 0.373 1
2 1274 . 13 1 1 A 106 106 PRO HA H 101 4.351 4.689 -0.338 1
2 1275 . 13 1 1 A 106 106 PRO CB C 101 31.726 33.262 -1.536 1
2 1283 . 13 1 1 A 106 106 PRO C C 101 176.395 176.354 0.041 1
2 1284 . 13 1 1 A 107 107 ILE N N 102 121.380 120.990 0.390 1
2 1285 . 13 1 1 A 107 107 ILE H H 102 8.350 8.431 -0.081 1
2 1286 . 13 1 1 A 107 107 ILE CA C 102 60.940 60.438 0.502 1
2 1287 . 13 1 1 A 107 107 ILE HA H 102 4.039 4.571 -0.532 1
2 1288 . 13 1 1 A 107 107 ILE CB C 102 38.204 38.930 -0.726 1
2 1301 . 13 1 1 A 107 107 ILE C C 102 175.990 176.571 -0.581 1
2 1302 . 13 1 1 A 108 108 GLU N N 103 124.836 124.109 0.727 1
2 1303 . 13 1 1 A 108 108 GLU H H 103 8.578 8.106 0.472 1
2 1304 . 13 1 1 A 108 108 GLU CA C 103 55.883 59.224 -3.341 1
2 1305 . 13 1 1 A 108 108 GLU HA H 103 4.280 3.996 0.284 1
2 1306 . 13 1 1 A 108 108 GLU CB C 103 29.902 29.673 0.229 1
2 1312 . 13 1 1 A 108 108 GLU C C 103 175.670 176.836 -1.166 1
2 1313 . 13 1 1 A 109 109 GLU N N 104 122.847 118.309 4.538 1
2 1314 . 13 1 1 A 109 109 GLU H H 104 8.459 7.806 0.653 1
2 1315 . 13 1 1 A 109 109 GLU CA C 104 55.902 55.717 0.185 1
2 1316 . 13 1 1 A 109 109 GLU HA H 104 4.267 4.488 -0.221 1
2 1317 . 13 1 1 A 109 109 GLU CB C 104 29.985 30.178 -0.193 1
2 1322 . 13 1 1 A 109 109 GLU C C 104 174.661 175.928 -1.267 1
2 3 . 14 1 1 A 2 2 SER N N -4 115.528 119.830 -4.302 1
2 4 . 14 1 1 A 2 2 SER H H -4 8.751 8.848 -0.097 1
2 5 . 14 1 1 A 2 2 SER CA C -4 57.687 59.089 -1.402 1
2 6 . 14 1 1 A 2 2 SER HA H -4 4.451 4.466 -0.015 1
2 7 . 14 1 1 A 2 2 SER CB C -4 63.389 65.965 -2.576 1
2 8 . 14 1 1 A 2 2 SER C C -4 173.913 172.868 1.045 1
2 9 . 14 1 1 A 3 3 HIS N N -3 120.998 115.635 5.363 1
2 10 . 14 1 1 A 3 3 HIS H H -3 8.769 7.857 0.912 1
2 11 . 14 1 1 A 3 3 HIS CA C -3 55.010 54.782 0.228 1
2 12 . 14 1 1 A 3 3 HIS HA H -3 4.707 5.107 -0.400 1
2 13 . 14 1 1 A 3 3 HIS CB C -3 28.916 31.233 -2.317 1
2 16 . 14 1 1 A 3 3 HIS C C -3 174.207 174.154 0.053 1
2 17 . 14 1 1 A 4 4 MET N N -2 122.227 123.043 -0.816 1
2 18 . 14 1 1 A 4 4 MET H H -2 8.518 8.865 -0.347 1
2 19 . 14 1 1 A 4 4 MET CA C -2 55.014 56.027 -1.013 1
2 20 . 14 1 1 A 4 4 MET HA H -2 4.418 4.630 -0.212 1
2 21 . 14 1 1 A 4 4 MET CB C -2 32.678 34.056 -1.378 1
2 31 . 14 1 1 A 4 4 MET C C -2 175.481 176.322 -0.841 1
2 49 . 14 1 1 A 7 7 ALA N N 2 124.549 123.481 1.068 1
2 50 . 14 1 1 A 7 7 ALA H H 2 8.453 8.201 0.252 1
2 51 . 14 1 1 A 7 7 ALA CA C 2 53.221 54.733 -1.512 1
2 52 . 14 1 1 A 7 7 ALA HA H 2 4.194 4.098 0.096 1
2 56 . 14 1 1 A 7 7 ALA CB C 2 18.431 18.096 0.335 1
2 57 . 14 1 1 A 7 7 ALA C C 2 178.162 179.368 -1.206 1
2 58 . 14 1 1 A 8 8 ASP N N 3 118.618 118.838 -0.220 1
2 59 . 14 1 1 A 8 8 ASP H H 3 8.064 7.887 0.177 1
2 60 . 14 1 1 A 8 8 ASP CA C 3 54.124 56.674 -2.550 1
2 61 . 14 1 1 A 8 8 ASP HA H 3 4.539 4.346 0.193 1
2 62 . 14 1 1 A 8 8 ASP CB C 3 40.341 40.878 -0.537 1
2 65 . 14 1 1 A 8 8 ASP C C 3 176.694 178.290 -1.596 1
2 66 . 14 1 1 A 9 9 LEU N N 4 123.427 120.474 2.953 1
2 67 . 14 1 1 A 9 9 LEU H H 4 8.202 7.953 0.249 1
2 68 . 14 1 1 A 9 9 LEU CA C 4 57.495 57.944 -0.449 1
2 69 . 14 1 1 A 9 9 LEU HA H 4 4.086 4.031 0.055 1
2 70 . 14 1 1 A 9 9 LEU CB C 4 41.905 41.639 0.266 1
2 82 . 14 1 1 A 9 9 LEU C C 4 178.839 178.706 0.133 1
2 83 . 14 1 1 A 10 10 VAL N N 5 119.385 119.147 0.238 1
2 84 . 14 1 1 A 10 10 VAL H H 5 8.186 8.354 -0.168 1
2 85 . 14 1 1 A 10 10 VAL CA C 5 66.585 66.706 -0.121 1
2 86 . 14 1 1 A 10 10 VAL HA H 5 3.420 3.515 -0.095 1
2 87 . 14 1 1 A 10 10 VAL CB C 5 31.177 31.580 -0.403 1
2 97 . 14 1 1 A 10 10 VAL C C 5 177.439 177.842 -0.403 1
2 98 . 14 1 1 A 11 11 SER N N 6 115.027 116.045 -1.018 1
2 99 . 14 1 1 A 11 11 SER H H 6 8.252 8.094 0.158 1
2 100 . 14 1 1 A 11 11 SER CA C 6 61.152 62.194 -1.042 1
2 101 . 14 1 1 A 11 11 SER HA H 6 4.055 4.098 -0.043 1
2 102 . 14 1 1 A 11 11 SER CB C 6 62.161 62.658 -0.497 1
2 105 . 14 1 1 A 11 11 SER C C 6 176.036 176.280 -0.244 1
2 106 . 14 1 1 A 12 12 SER N N 7 115.144 115.934 -0.790 1
2 107 . 14 1 1 A 12 12 SER H H 7 8.053 7.972 0.081 1
2 108 . 14 1 1 A 12 12 SER CA C 7 60.168 61.606 -1.438 1
2 109 . 14 1 1 A 12 12 SER HA H 7 4.284 4.084 0.200 1
2 110 . 14 1 1 A 12 12 SER CB C 7 62.706 62.908 -0.202 1
2 113 . 14 1 1 A 12 12 SER C C 7 176.540 177.269 -0.729 1
2 114 . 14 1 1 A 13 13 CYS N N 8 118.211 119.192 -0.981 1
2 115 . 14 1 1 A 13 13 CYS H H 8 7.919 8.475 -0.556 1
2 116 . 14 1 1 A 13 13 CYS CA C 8 63.651 63.953 -0.302 1
2 117 . 14 1 1 A 13 13 CYS HA H 8 4.026 4.017 0.009 1
2 118 . 14 1 1 A 13 13 CYS CB C 8 26.641 26.945 -0.304 1
2 121 . 14 1 1 A 13 13 CYS C C 8 175.645 177.016 -1.371 1
2 122 . 14 1 1 A 14 14 LYS N N 9 120.074 121.395 -1.321 1
2 123 . 14 1 1 A 14 14 LYS H H 9 8.632 8.119 0.513 1
2 124 . 14 1 1 A 14 14 LYS CA C 9 60.441 59.665 0.776 1
2 125 . 14 1 1 A 14 14 LYS HA H 9 3.672 3.986 -0.314 1
2 126 . 14 1 1 A 14 14 LYS CB C 9 31.685 32.049 -0.364 1
2 138 . 14 1 1 A 14 14 LYS C C 9 177.615 177.773 -0.158 1
2 139 . 14 1 1 A 15 15 ASP N N 10 117.613 119.537 -1.924 1
2 140 . 14 1 1 A 15 15 ASP H H 10 7.732 8.152 -0.420 1
2 141 . 14 1 1 A 15 15 ASP CA C 10 56.175 57.399 -1.224 1
2 142 . 14 1 1 A 15 15 ASP HA H 10 4.307 4.287 0.020 1
2 143 . 14 1 1 A 15 15 ASP CB C 10 40.056 41.720 -1.664 1
2 146 . 14 1 1 A 15 15 ASP C C 10 177.650 178.598 -0.948 1
2 147 . 14 1 1 A 16 16 LYS N N 11 117.878 119.994 -2.116 1
2 148 . 14 1 1 A 16 16 LYS H H 11 7.254 7.789 -0.535 1
2 149 . 14 1 1 A 16 16 LYS CA C 11 58.962 59.574 -0.612 1
2 150 . 14 1 1 A 16 16 LYS HA H 11 3.645 4.281 -0.636 1
2 151 . 14 1 1 A 16 16 LYS CB C 11 32.951 32.012 0.939 1
2 160 . 14 1 1 A 16 16 LYS C C 11 177.263 178.749 -1.486 1
2 161 . 14 1 1 A 17 17 LEU N N 12 115.652 120.776 -5.124 1
2 162 . 14 1 1 A 17 17 LEU H H 12 8.138 8.534 -0.396 1
2 163 . 14 1 1 A 17 17 LEU CA C 12 56.726 58.044 -1.318 1
2 164 . 14 1 1 A 17 17 LEU HA H 12 3.579 4.119 -0.540 1
2 165 . 14 1 1 A 17 17 LEU CB C 12 41.959 41.221 0.738 1
2 176 . 14 1 1 A 17 17 LEU C C 12 177.485 178.392 -0.907 1
2 177 . 14 1 1 A 18 18 ALA N N 13 116.044 120.764 -4.720 1
2 178 . 14 1 1 A 18 18 ALA H H 13 7.080 8.538 -1.458 1
2 179 . 14 1 1 A 18 18 ALA CA C 13 53.389 54.815 -1.426 1
2 180 . 14 1 1 A 18 18 ALA HA H 13 3.963 4.182 -0.219 1
2 184 . 14 1 1 A 18 18 ALA CB C 13 18.161 18.342 -0.181 1
2 185 . 14 1 1 A 18 18 ALA C C 13 178.207 180.184 -1.977 1
2 186 . 14 1 1 A 19 19 TYR N N 14 115.556 119.491 -3.935 1
2 187 . 14 1 1 A 19 19 TYR H H 14 7.675 7.817 -0.142 1
2 188 . 14 1 1 A 19 19 TYR CA C 14 58.647 60.035 -1.388 1
2 189 . 14 1 1 A 19 19 TYR HA H 14 4.304 4.214 0.090 1
2 190 . 14 1 1 A 19 19 TYR CB C 14 38.609 39.408 -0.799 1
2 199 . 14 1 1 A 19 19 TYR C C 14 175.911 175.432 0.479 1
2 200 . 14 1 1 A 20 20 PHE N N 15 118.275 119.564 -1.289 1
2 201 . 14 1 1 A 20 20 PHE H H 15 7.406 7.868 -0.462 1
2 202 . 14 1 1 A 20 20 PHE CA C 15 56.615 56.932 -0.317 1
2 203 . 14 1 1 A 20 20 PHE HA H 15 4.649 4.828 -0.179 1
2 204 . 14 1 1 A 20 20 PHE CB C 15 38.750 41.069 -2.319 1
2 215 . 14 1 1 A 20 20 PHE C C 15 176.160 175.813 0.347 1
2 216 . 14 1 1 A 21 21 ARG N N 16 119.140 121.394 -2.254 1
2 217 . 14 1 1 A 21 21 ARG H H 16 8.714 8.648 0.066 1
2 218 . 14 1 1 A 21 21 ARG CA C 16 54.349 56.273 -1.924 1
2 219 . 14 1 1 A 21 21 ARG HA H 16 4.751 4.339 0.412 1
2 220 . 14 1 1 A 21 21 ARG CB C 16 30.097 31.340 -1.243 1
2 236 . 14 1 1 A 21 21 ARG C C 16 177.095 177.789 -0.694 1
2 237 . 14 1 1 A 22 22 ILE N N 17 120.734 122.131 -1.397 1
2 238 . 14 1 1 A 22 22 ILE H H 17 8.708 8.758 -0.050 1
2 239 . 14 1 1 A 22 22 ILE CA C 17 65.145 64.518 0.627 1
2 240 . 14 1 1 A 22 22 ILE HA H 17 3.720 3.731 -0.011 1
2 241 . 14 1 1 A 22 22 ILE CB C 17 36.857 37.519 -0.662 1
2 254 . 14 1 1 A 22 22 ILE C C 17 176.745 177.998 -1.253 1
2 255 . 14 1 1 A 23 23 LYS N N 18 118.184 121.883 -3.699 1
2 256 . 14 1 1 A 23 23 LYS H H 18 8.267 8.351 -0.084 1
2 257 . 14 1 1 A 23 23 LYS CA C 18 59.829 60.017 -0.188 1
2 258 . 14 1 1 A 23 23 LYS HA H 18 3.897 3.905 -0.008 1
2 259 . 14 1 1 A 23 23 LYS CB C 18 32.268 32.351 -0.083 1
2 271 . 14 1 1 A 23 23 LYS C C 18 178.159 179.120 -0.961 1
2 272 . 14 1 1 A 24 24 GLU N N 19 117.654 119.080 -1.426 1
2 273 . 14 1 1 A 24 24 GLU H H 19 7.198 7.915 -0.717 1
2 274 . 14 1 1 A 24 24 GLU CA C 19 60.612 58.891 1.721 1
2 275 . 14 1 1 A 24 24 GLU HA H 19 4.030 3.988 0.042 1
2 276 . 14 1 1 A 24 24 GLU CB C 19 28.859 29.284 -0.425 1
2 282 . 14 1 1 A 24 24 GLU C C 19 178.521 179.472 -0.951 1
2 283 . 14 1 1 A 25 25 LEU N N 20 119.236 120.164 -0.928 1
2 284 . 14 1 1 A 25 25 LEU H H 20 7.980 8.395 -0.415 1
2 285 . 14 1 1 A 25 25 LEU CA C 20 57.676 57.984 -0.308 1
2 286 . 14 1 1 A 25 25 LEU HA H 20 3.904 3.997 -0.093 1
2 287 . 14 1 1 A 25 25 LEU CB C 20 42.218 40.811 1.407 1
2 294 . 14 1 1 A 25 25 LEU C C 20 177.990 179.385 -1.395 1
2 295 . 14 1 1 A 26 26 LYS N N 21 117.457 121.103 -3.646 1
2 296 . 14 1 1 A 26 26 LYS H H 21 8.770 8.454 0.316 1
2 297 . 14 1 1 A 26 26 LYS CA C 21 60.660 59.740 0.920 1
2 298 . 14 1 1 A 26 26 LYS HA H 21 3.787 3.957 -0.170 1
2 299 . 14 1 1 A 26 26 LYS CB C 21 31.876 32.000 -0.124 1
2 300 . 14 1 1 A 26 26 LYS C C 21 177.625 178.442 -0.817 1
2 301 . 14 1 1 A 27 27 ASP N N 22 119.023 119.563 -0.540 1
2 302 . 14 1 1 A 27 27 ASP H H 22 7.671 8.097 -0.426 1
2 303 . 14 1 1 A 27 27 ASP CA C 22 56.974 57.764 -0.790 1
2 304 . 14 1 1 A 27 27 ASP HA H 22 4.392 4.331 0.061 1
2 305 . 14 1 1 A 27 27 ASP CB C 22 40.250 41.896 -1.646 1
2 308 . 14 1 1 A 27 27 ASP C C 22 180.796 178.715 2.081 1
2 309 . 14 1 1 A 28 28 ILE N N 23 119.318 119.297 0.021 1
2 310 . 14 1 1 A 28 28 ILE H H 23 8.039 7.848 0.191 1
2 311 . 14 1 1 A 28 28 ILE CA C 23 65.365 65.475 -0.110 1
2 312 . 14 1 1 A 28 28 ILE HA H 23 3.587 3.632 -0.045 1
2 313 . 14 1 1 A 28 28 ILE CB C 23 37.408 38.179 -0.771 1
2 326 . 14 1 1 A 28 28 ILE C C 23 177.265 178.302 -1.037 1
2 327 . 14 1 1 A 29 29 LEU N N 24 120.356 121.274 -0.918 1
2 328 . 14 1 1 A 29 29 LEU H H 24 8.220 8.270 -0.050 1
2 329 . 14 1 1 A 29 29 LEU CA C 24 58.562 58.255 0.307 1
2 330 . 14 1 1 A 29 29 LEU HA H 24 3.806 4.006 -0.200 1
2 331 . 14 1 1 A 29 29 LEU CB C 24 39.477 41.390 -1.913 1
2 339 . 14 1 1 A 29 29 LEU C C 24 178.572 178.326 0.246 1
2 340 . 14 1 1 A 30 30 ASN N N 25 117.446 117.166 0.280 1
2 341 . 14 1 1 A 30 30 ASN H H 25 8.688 8.571 0.117 1
2 342 . 14 1 1 A 30 30 ASN CA C 25 56.092 56.980 -0.888 1
2 343 . 14 1 1 A 30 30 ASN HA H 25 4.493 4.350 0.143 1
2 344 . 14 1 1 A 30 30 ASN CB C 25 38.809 38.937 -0.128 1
2 351 . 14 1 1 A 30 30 ASN C C 25 178.884 177.884 1.000 1
2 352 . 14 1 1 A 31 31 GLN N N 26 119.946 118.053 1.893 1
2 353 . 14 1 1 A 31 31 GLN H H 26 8.184 7.813 0.371 1
2 354 . 14 1 1 A 31 31 GLN CA C 26 58.786 58.795 -0.009 1
2 355 . 14 1 1 A 31 31 GLN HA H 26 4.041 4.027 0.014 1
2 356 . 14 1 1 A 31 31 GLN CB C 26 29.089 28.316 0.773 1
2 366 . 14 1 1 A 31 31 GLN C C 26 177.656 179.296 -1.640 1
2 367 . 14 1 1 A 32 32 LEU N N 27 116.979 117.891 -0.912 1
2 368 . 14 1 1 A 32 32 LEU H H 27 7.893 7.573 0.320 1
2 369 . 14 1 1 A 32 32 LEU CA C 27 54.545 55.907 -1.362 1
2 370 . 14 1 1 A 32 32 LEU HA H 27 4.227 4.151 0.076 1
2 371 . 14 1 1 A 32 32 LEU CB C 27 42.063 42.686 -0.623 1
2 382 . 14 1 1 A 32 32 LEU C C 27 175.733 177.218 -1.485 1
2 383 . 14 1 1 A 33 33 GLY N N 28 108.299 105.799 2.500 1
2 384 . 14 1 1 A 33 33 GLY H H 28 7.834 7.510 0.324 1
2 385 . 14 1 1 A 33 33 GLY CA C 28 45.707 44.812 0.895 1
2 386 . 14 1 1 A 33 33 GLY HA2 H 28 3.952 3.997 -0.045 1
2 387 . 14 1 1 A 33 33 GLY HA3 H 28 3.952 3.999 -0.047 1
2 388 . 14 1 1 A 33 33 GLY C C 28 174.317 174.513 -0.196 1
2 389 . 14 1 1 A 34 34 LEU N N 29 120.833 122.613 -1.780 1
2 390 . 14 1 1 A 34 34 LEU H H 29 7.986 7.542 0.444 1
2 391 . 14 1 1 A 34 34 LEU CA C 29 51.558 53.894 -2.336 1
2 392 . 14 1 1 A 34 34 LEU HA H 29 4.744 4.271 0.473 1
2 393 . 14 1 1 A 34 34 LEU CB C 29 43.525 41.444 2.081 1
2 405 . 14 1 1 A 35 35 PRO CA C 30 62.707 62.337 0.370 1
2 406 . 14 1 1 A 35 35 PRO HA H 30 4.351 4.508 -0.157 1
2 407 . 14 1 1 A 35 35 PRO CB C 30 31.919 32.738 -0.819 1
2 415 . 14 1 1 A 35 35 PRO C C 30 177.488 177.097 0.391 1
2 416 . 14 1 1 A 36 36 LYS N N 31 117.590 120.990 -3.400 1
2 417 . 14 1 1 A 36 36 LYS H H 31 8.380 8.942 -0.562 1
2 418 . 14 1 1 A 36 36 LYS CA C 31 55.660 59.283 -3.623 1
2 419 . 14 1 1 A 36 36 LYS HA H 31 4.286 3.970 0.316 1
2 420 . 14 1 1 A 36 36 LYS CB C 31 33.239 32.273 0.966 1
2 430 . 14 1 1 A 36 36 LYS C C 31 174.384 176.797 -2.413 1
2 431 . 14 1 1 A 37 37 GLN N N 32 118.260 117.252 1.008 1
2 432 . 14 1 1 A 37 37 GLN H H 32 7.698 7.711 -0.013 1
2 433 . 14 1 1 A 37 37 GLN CA C 32 55.550 54.735 0.815 1
2 434 . 14 1 1 A 37 37 GLN HA H 32 4.376 4.331 0.045 1
2 435 . 14 1 1 A 37 37 GLN CB C 32 28.221 30.078 -1.857 1
2 445 . 14 1 1 A 37 37 GLN C C 32 175.222 175.779 -0.557 1
2 446 . 14 1 1 A 38 38 GLY N N 33 109.855 108.472 1.383 1
2 447 . 14 1 1 A 38 38 GLY H H 33 8.449 8.590 -0.141 1
2 448 . 14 1 1 A 38 38 GLY CA C 33 43.235 45.090 -1.855 1
2 449 . 14 1 1 A 38 38 GLY HA2 H 33 4.566 4.153 0.413 1
2 450 . 14 1 1 A 38 38 GLY HA3 H 33 3.789 4.153 -0.364 1
2 451 . 14 1 1 A 38 38 GLY C C 33 173.603 173.792 -0.189 1
2 452 . 14 1 1 A 39 39 LYS N N 34 117.627 122.525 -4.898 1
2 453 . 14 1 1 A 39 39 LYS H H 34 8.649 8.271 0.378 1
2 454 . 14 1 1 A 39 39 LYS CA C 34 54.563 55.931 -1.368 1
2 455 . 14 1 1 A 39 39 LYS HA H 34 4.394 4.387 0.007 1
2 456 . 14 1 1 A 39 39 LYS CB C 34 32.892 33.271 -0.379 1
2 468 . 14 1 1 A 39 39 LYS C C 34 176.803 177.403 -0.600 1
2 469 . 14 1 1 A 40 40 LYS N N 35 121.705 119.199 2.506 1
2 470 . 14 1 1 A 40 40 LYS H H 35 8.920 8.880 0.040 1
2 471 . 14 1 1 A 40 40 LYS CA C 35 61.559 59.794 1.765 1
2 472 . 14 1 1 A 40 40 LYS HA H 35 3.597 3.924 -0.327 1
2 473 . 14 1 1 A 40 40 LYS CB C 35 31.953 32.133 -0.180 1
2 485 . 14 1 1 A 40 40 LYS C C 35 177.362 178.331 -0.969 1
2 486 . 14 1 1 A 41 41 GLN N N 36 114.637 118.892 -4.255 1
2 487 . 14 1 1 A 41 41 GLN H H 36 9.017 7.819 1.198 1
2 488 . 14 1 1 A 41 41 GLN CA C 36 57.638 58.647 -1.009 1
2 489 . 14 1 1 A 41 41 GLN HA H 36 3.719 4.060 -0.341 1
2 490 . 14 1 1 A 41 41 GLN CB C 36 27.865 28.390 -0.525 1
2 500 . 14 1 1 A 41 41 GLN C C 36 176.975 178.325 -1.350 1
2 501 . 14 1 1 A 42 42 ASP N N 37 115.984 119.995 -4.011 1
2 502 . 14 1 1 A 42 42 ASP H H 37 7.049 8.155 -1.106 1
2 503 . 14 1 1 A 42 42 ASP CA C 37 56.424 57.437 -1.013 1
2 504 . 14 1 1 A 42 42 ASP HA H 37 4.303 4.326 -0.023 1
2 505 . 14 1 1 A 42 42 ASP CB C 37 39.955 40.819 -0.864 1
2 508 . 14 1 1 A 42 42 ASP C C 37 178.454 179.017 -0.563 1
2 509 . 14 1 1 A 43 43 LEU N N 38 119.074 120.305 -1.231 1
2 510 . 14 1 1 A 43 43 LEU H H 38 7.725 8.211 -0.486 1
2 511 . 14 1 1 A 43 43 LEU CA C 38 57.716 58.020 -0.304 1
2 512 . 14 1 1 A 43 43 LEU HA H 38 3.794 3.958 -0.164 1
2 513 . 14 1 1 A 43 43 LEU CB C 38 40.211 42.200 -1.989 1
2 526 . 14 1 1 A 43 43 LEU C C 38 177.872 179.028 -1.156 1
2 527 . 14 1 1 A 44 44 ILE N N 39 118.343 118.360 -0.017 1
2 528 . 14 1 1 A 44 44 ILE H H 39 7.867 8.148 -0.281 1
2 529 . 14 1 1 A 44 44 ILE CA C 39 66.211 65.534 0.677 1
2 530 . 14 1 1 A 44 44 ILE HA H 39 3.319 3.527 -0.208 1
2 531 . 14 1 1 A 44 44 ILE CB C 39 37.985 37.740 0.245 1
2 541 . 14 1 1 A 44 44 ILE C C 39 177.711 177.801 -0.090 1
2 542 . 14 1 1 A 45 45 ASP N N 40 118.535 120.296 -1.761 1
2 543 . 14 1 1 A 45 45 ASP H H 40 8.503 8.496 0.007 1
2 544 . 14 1 1 A 45 45 ASP CA C 40 56.817 57.296 -0.479 1
2 545 . 14 1 1 A 45 45 ASP HA H 40 4.256 4.414 -0.158 1
2 546 . 14 1 1 A 45 45 ASP CB C 40 39.815 41.494 -1.679 1
2 549 . 14 1 1 A 45 45 ASP C C 40 178.464 178.710 -0.246 1
2 550 . 14 1 1 A 46 46 ARG N N 41 120.910 119.373 1.537 1
2 551 . 14 1 1 A 46 46 ARG H H 41 7.717 7.773 -0.056 1
2 552 . 14 1 1 A 46 46 ARG CA C 41 59.054 59.651 -0.597 1
2 553 . 14 1 1 A 46 46 ARG HA H 41 3.993 4.072 -0.079 1
2 554 . 14 1 1 A 46 46 ARG CB C 41 29.778 30.374 -0.596 1
2 563 . 14 1 1 A 46 46 ARG C C 41 177.565 178.491 -0.926 1
2 564 . 14 1 1 A 47 47 VAL N N 42 117.438 119.424 -1.986 1
2 565 . 14 1 1 A 47 47 VAL H H 42 7.445 7.973 -0.528 1
2 566 . 14 1 1 A 47 47 VAL CA C 42 66.095 66.346 -0.251 1
2 567 . 14 1 1 A 47 47 VAL HA H 42 3.446 3.690 -0.244 1
2 568 . 14 1 1 A 47 47 VAL CB C 42 31.113 31.742 -0.629 1
2 578 . 14 1 1 A 47 47 VAL C C 42 177.710 178.124 -0.414 1
2 579 . 14 1 1 A 48 48 LEU N N 43 117.085 117.701 -0.616 1
2 580 . 14 1 1 A 48 48 LEU H H 43 8.466 8.095 0.371 1
2 581 . 14 1 1 A 48 48 LEU CA C 43 57.406 57.704 -0.298 1
2 582 . 14 1 1 A 48 48 LEU HA H 43 3.851 4.006 -0.155 1
2 583 . 14 1 1 A 48 48 LEU CB C 43 40.779 41.070 -0.291 1
2 596 . 14 1 1 A 48 48 LEU C C 43 179.581 179.764 -0.183 1
2 597 . 14 1 1 A 49 49 ALA N N 44 120.480 122.032 -1.552 1
2 598 . 14 1 1 A 49 49 ALA H H 44 7.952 8.034 -0.082 1
2 599 . 14 1 1 A 49 49 ALA CA C 44 53.998 54.898 -0.900 1
2 600 . 14 1 1 A 49 49 ALA HA H 44 4.104 4.054 0.050 1
2 604 . 14 1 1 A 49 49 ALA CB C 44 17.685 18.318 -0.633 1
2 605 . 14 1 1 A 49 49 ALA C C 44 178.926 179.200 -0.274 1
2 606 . 14 1 1 A 50 50 LEU N N 45 115.306 120.226 -4.920 1
2 607 . 14 1 1 A 50 50 LEU H H 45 7.428 7.689 -0.261 1
2 608 . 14 1 1 A 50 50 LEU CA C 45 55.650 57.607 -1.957 1
2 609 . 14 1 1 A 50 50 LEU HA H 45 4.206 4.125 0.081 1
2 610 . 14 1 1 A 50 50 LEU CB C 45 41.937 41.885 0.052 1
2 623 . 14 1 1 A 50 50 LEU C C 45 177.840 178.767 -0.927 1
2 624 . 14 1 1 A 51 51 LEU N N 46 115.880 118.670 -2.790 1
2 625 . 14 1 1 A 51 51 LEU H H 46 7.642 7.972 -0.330 1
2 626 . 14 1 1 A 51 51 LEU CA C 46 54.861 56.512 -1.651 1
2 627 . 14 1 1 A 51 51 LEU HA H 46 4.260 4.201 0.059 1
2 628 . 14 1 1 A 51 51 LEU CB C 46 42.228 41.868 0.360 1
2 638 . 14 1 1 A 51 51 LEU C C 46 176.015 177.660 -1.645 1
2 639 . 14 1 1 A 52 52 THR N N 47 109.201 113.063 -3.862 1
2 640 . 14 1 1 A 52 52 THR H H 47 7.515 7.570 -0.055 1
2 641 . 14 1 1 A 52 52 THR CA C 47 60.972 64.586 -3.614 1
2 642 . 14 1 1 A 52 52 THR HA H 47 4.345 4.309 0.036 1
2 643 . 14 1 1 A 52 52 THR CB C 47 69.620 69.378 0.242 1
2 649 . 14 1 1 A 52 52 THR C C 47 173.733 175.425 -1.692 1
2 650 . 14 1 1 A 53 53 ASP N N 48 122.188 119.312 2.876 1
2 651 . 14 1 1 A 53 53 ASP H H 48 8.280 8.297 -0.017 1
2 652 . 14 1 1 A 53 53 ASP CA C 48 54.205 56.484 -2.279 1
2 653 . 14 1 1 A 53 53 ASP HA H 48 4.686 4.501 0.185 1
2 654 . 14 1 1 A 53 53 ASP CB C 48 40.766 40.352 0.414 1
2 658 . 14 1 1 A 53 53 ASP C C 48 176.000 176.722 -0.722 1
2 659 . 14 1 1 A 54 54 GLU N N 49 121.966 118.608 3.358 1
2 660 . 14 1 1 A 54 54 GLU H H 49 8.589 7.764 0.825 1
2 661 . 14 1 1 A 54 54 GLU CA C 49 56.448 55.564 0.884 1
2 662 . 14 1 1 A 54 54 GLU HA H 49 4.234 4.689 -0.455 1
2 663 . 14 1 1 A 54 54 GLU CB C 49 29.642 30.790 -1.148 1
2 669 . 14 1 1 A 54 54 GLU C C 49 176.522 176.785 -0.263 1
2 670 . 14 1 1 A 55 55 GLN N N 50 120.727 119.669 1.058 1
2 671 . 14 1 1 A 55 55 GLN H H 50 8.642 7.911 0.731 1
2 672 . 14 1 1 A 55 55 GLN CA C 50 56.251 57.913 -1.662 1
2 673 . 14 1 1 A 55 55 GLN HA H 50 4.217 4.122 0.095 1
2 674 . 14 1 1 A 55 55 GLN CB C 50 28.555 28.126 0.429 1
2 684 . 14 1 1 A 55 55 GLN C C 50 176.519 176.787 -0.268 1
2 685 . 14 1 1 A 56 56 GLY N N 51 109.357 107.917 1.440 1
2 686 . 14 1 1 A 56 56 GLY H H 51 8.519 8.132 0.387 1
2 687 . 14 1 1 A 56 56 GLY CA C 51 45.276 45.449 -0.173 1
2 688 . 14 1 1 A 56 56 GLY HA2 H 51 3.950 4.014 -0.064 1
2 689 . 14 1 1 A 56 56 GLY HA3 H 51 3.809 4.023 -0.214 1
2 690 . 14 1 1 A 56 56 GLY C C 51 174.146 174.756 -0.610 1
2 691 . 14 1 1 A 57 57 GLN N N 52 119.207 118.343 0.864 1
2 692 . 14 1 1 A 57 57 GLN H H 52 8.263 7.601 0.662 1
2 693 . 14 1 1 A 57 57 GLN CA C 52 55.572 56.679 -1.107 1
2 694 . 14 1 1 A 57 57 GLN HA H 52 4.203 4.423 -0.220 1
2 695 . 14 1 1 A 57 57 GLN CB C 52 28.656 28.828 -0.172 1
2 705 . 14 1 1 A 57 57 GLN C C 52 175.872 177.247 -1.375 1
2 706 . 14 1 1 A 58 58 ARG N N 53 120.525 119.629 0.896 1
2 707 . 14 1 1 A 58 58 ARG H H 53 8.279 8.029 0.250 1
2 708 . 14 1 1 A 58 58 ARG CA C 53 55.883 57.435 -1.552 1
2 709 . 14 1 1 A 58 58 ARG HA H 53 4.176 4.420 -0.244 1
2 710 . 14 1 1 A 58 58 ARG CB C 53 30.031 30.302 -0.271 1
2 721 . 14 1 1 A 58 58 ARG C C 53 175.820 177.851 -2.031 1
2 722 . 14 1 1 A 59 59 HIS N N 54 118.905 120.437 -1.532 1
2 723 . 14 1 1 A 59 59 HIS H H 54 8.398 8.183 0.215 1
2 724 . 14 1 1 A 59 59 HIS CA C 54 54.908 59.613 -4.705 1
2 725 . 14 1 1 A 59 59 HIS HA H 54 4.548 4.391 0.157 1
2 726 . 14 1 1 A 59 59 HIS CB C 54 28.953 30.553 -1.600 1
2 729 . 14 1 1 A 59 59 HIS C C 54 174.136 174.934 -0.798 1
2 730 . 14 1 1 A 60 60 HIS N N 55 119.527 111.548 7.979 1
2 731 . 14 1 1 A 60 60 HIS H H 55 8.493 8.035 0.458 1
2 732 . 14 1 1 A 60 60 HIS CA C 55 55.274 53.974 1.300 1
2 733 . 14 1 1 A 60 60 HIS HA H 55 4.552 4.300 0.252 1
2 734 . 14 1 1 A 60 60 HIS CB C 55 28.913 31.505 -2.592 1
2 737 . 14 1 1 A 60 60 HIS C C 55 174.595 173.613 0.982 1
2 738 . 14 1 1 A 61 61 GLY N N 56 110.215 107.693 2.522 1
2 739 . 14 1 1 A 61 61 GLY H H 56 8.604 7.383 1.221 1
2 740 . 14 1 1 A 61 61 GLY CA C 56 44.977 45.286 -0.309 1
2 741 . 14 1 1 A 61 61 GLY HA2 H 56 3.956 3.452 0.504 1
2 742 . 14 1 1 A 61 61 GLY HA3 H 56 3.831 3.523 0.308 1
2 743 . 14 1 1 A 61 61 GLY C C 56 173.752 174.393 -0.641 1
2 744 . 14 1 1 A 62 62 TRP N N 57 120.700 117.901 2.799 1
2 745 . 14 1 1 A 62 62 TRP H H 57 8.175 7.173 1.002 1
2 746 . 14 1 1 A 62 62 TRP CA C 57 56.929 58.017 -1.088 1
2 747 . 14 1 1 A 62 62 TRP HA H 57 4.663 4.742 -0.079 1
2 748 . 14 1 1 A 62 62 TRP CB C 57 29.142 30.880 -1.738 1
2 763 . 14 1 1 A 62 62 TRP C C 57 176.442 177.303 -0.861 1
2 764 . 14 1 1 A 63 63 GLY N N 58 110.195 109.052 1.143 1
2 765 . 14 1 1 A 63 63 GLY H H 58 8.452 8.472 -0.020 1
2 766 . 14 1 1 A 63 63 GLY CA C 58 45.052 46.464 -1.412 1
2 767 . 14 1 1 A 63 63 GLY HA2 H 58 3.925 3.961 -0.036 1
2 768 . 14 1 1 A 63 63 GLY HA3 H 58 3.833 4.056 -0.223 1
2 769 . 14 1 1 A 63 63 GLY C C 58 173.738 174.380 -0.642 1
2 770 . 14 1 1 A 64 64 ARG N N 59 120.374 119.311 1.063 1
2 771 . 14 1 1 A 64 64 ARG H H 59 8.136 8.279 -0.143 1
2 772 . 14 1 1 A 64 64 ARG CA C 59 55.799 57.235 -1.436 1
2 773 . 14 1 1 A 64 64 ARG HA H 59 4.287 4.134 0.153 1
2 774 . 14 1 1 A 64 64 ARG CB C 59 30.371 29.210 1.161 1
2 785 . 14 1 1 A 64 64 ARG C C 59 176.287 175.330 0.957 1
2 786 . 14 1 1 A 65 65 LYS N N 60 121.593 118.547 3.046 1
2 787 . 14 1 1 A 65 65 LYS H H 60 8.483 8.001 0.482 1
2 788 . 14 1 1 A 65 65 LYS CA C 60 56.353 56.891 -0.538 1
2 789 . 14 1 1 A 65 65 LYS HA H 60 4.218 4.464 -0.246 1
2 790 . 14 1 1 A 65 65 LYS CB C 60 32.260 35.755 -3.495 1
2 796 . 14 1 1 A 65 65 LYS C C 60 176.102 176.751 -0.649 1
2 797 . 14 1 1 A 66 66 ASN N N 61 118.654 118.374 0.280 1
2 798 . 14 1 1 A 66 66 ASN H H 61 8.413 8.524 -0.111 1
2 799 . 14 1 1 A 66 66 ASN CA C 61 53.055 56.022 -2.967 1
2 800 . 14 1 1 A 66 66 ASN HA H 61 4.639 4.481 0.158 1
2 801 . 14 1 1 A 66 66 ASN CB C 61 38.385 38.216 0.169 1
2 808 . 14 1 1 A 66 66 ASN C C 61 174.531 175.610 -1.079 1
2 809 . 14 1 1 A 67 67 SER N N 62 115.491 111.465 4.026 1
2 810 . 14 1 1 A 67 67 SER H H 62 8.288 8.136 0.152 1
2 811 . 14 1 1 A 67 67 SER CA C 62 57.980 59.168 -1.188 1
2 812 . 14 1 1 A 67 67 SER HA H 62 4.283 4.284 -0.001 1
2 813 . 14 1 1 A 67 67 SER CB C 62 63.205 60.966 2.239 1
2 816 . 14 1 1 A 67 67 SER C C 62 173.864 173.975 -0.111 1
2 817 . 14 1 1 A 68 68 LEU N N 63 123.549 116.771 6.778 1
2 818 . 14 1 1 A 68 68 LEU H H 63 8.063 8.047 0.016 1
2 819 . 14 1 1 A 68 68 LEU CA C 63 54.098 54.000 0.098 1
2 820 . 14 1 1 A 68 68 LEU HA H 63 4.481 4.665 -0.184 1
2 821 . 14 1 1 A 68 68 LEU CB C 63 42.494 42.684 -0.190 1
2 834 . 14 1 1 A 68 68 LEU C C 63 176.532 175.767 0.765 1
2 835 . 14 1 1 A 69 69 THR N N 64 112.637 110.186 2.451 1
2 836 . 14 1 1 A 69 69 THR H H 64 7.797 7.465 0.332 1
2 837 . 14 1 1 A 69 69 THR CA C 64 59.915 59.224 0.691 1
2 838 . 14 1 1 A 69 69 THR HA H 64 4.490 4.852 -0.362 1
2 839 . 14 1 1 A 69 69 THR CB C 64 70.852 72.432 -1.580 1
2 845 . 14 1 1 A 69 69 THR C C 64 174.998 175.441 -0.443 1
2 846 . 14 1 1 A 70 70 LYS N N 65 120.128 122.084 -1.956 1
2 847 . 14 1 1 A 70 70 LYS H H 65 9.059 9.201 -0.142 1
2 848 . 14 1 1 A 70 70 LYS CA C 65 59.535 59.743 -0.208 1
2 849 . 14 1 1 A 70 70 LYS HA H 65 3.909 3.940 -0.031 1
2 850 . 14 1 1 A 70 70 LYS CB C 65 31.890 32.103 -0.213 1
2 858 . 14 1 1 A 70 70 LYS C C 65 177.536 178.829 -1.293 1
2 859 . 14 1 1 A 71 71 GLU N N 66 117.667 120.320 -2.653 1
2 860 . 14 1 1 A 71 71 GLU H H 66 8.699 8.612 0.087 1
2 861 . 14 1 1 A 71 71 GLU CA C 66 60.199 59.003 1.196 1
2 862 . 14 1 1 A 71 71 GLU HA H 66 3.806 4.074 -0.268 1
2 863 . 14 1 1 A 71 71 GLU CB C 66 27.986 29.707 -1.721 1
2 870 . 14 1 1 A 71 71 GLU C C 66 178.416 178.983 -0.567 1
2 871 . 14 1 1 A 72 72 ALA N N 67 123.924 122.118 1.806 1
2 872 . 14 1 1 A 72 72 ALA H H 67 7.992 7.344 0.648 1
2 873 . 14 1 1 A 72 72 ALA CA C 67 54.477 54.672 -0.195 1
2 874 . 14 1 1 A 72 72 ALA HA H 67 4.110 4.086 0.024 1
2 878 . 14 1 1 A 72 72 ALA CB C 67 18.301 19.361 -1.060 1
2 879 . 14 1 1 A 72 72 ALA C C 67 178.721 179.343 -0.622 1
2 880 . 14 1 1 A 73 73 VAL N N 68 119.434 118.185 1.249 1
2 881 . 14 1 1 A 73 73 VAL H H 68 8.044 7.961 0.083 1
2 882 . 14 1 1 A 73 73 VAL CA C 68 66.089 66.413 -0.324 1
2 883 . 14 1 1 A 73 73 VAL HA H 68 3.473 3.514 -0.041 1
2 884 . 14 1 1 A 73 73 VAL CB C 68 31.150 31.558 -0.408 1
2 894 . 14 1 1 A 73 73 VAL C C 68 177.001 178.353 -1.352 1
2 895 . 14 1 1 A 74 74 ALA N N 69 120.671 121.284 -0.613 1
2 896 . 14 1 1 A 74 74 ALA H H 69 8.407 8.434 -0.027 1
2 897 . 14 1 1 A 74 74 ALA CA C 69 54.727 54.912 -0.185 1
2 898 . 14 1 1 A 74 74 ALA HA H 69 3.968 4.121 -0.153 1
2 902 . 14 1 1 A 74 74 ALA CB C 69 18.066 18.250 -0.184 1
2 903 . 14 1 1 A 74 74 ALA C C 69 178.820 179.697 -0.877 1
2 904 . 14 1 1 A 75 75 LYS N N 70 118.624 118.356 0.268 1
2 905 . 14 1 1 A 75 75 LYS H H 70 7.930 7.862 0.068 1
2 906 . 14 1 1 A 75 75 LYS CA C 70 58.807 59.718 -0.911 1
2 907 . 14 1 1 A 75 75 LYS HA H 70 4.086 4.000 0.086 1
2 908 . 14 1 1 A 75 75 LYS CB C 70 31.776 32.308 -0.532 1
2 918 . 14 1 1 A 75 75 LYS C C 70 177.424 179.073 -1.649 1
2 919 . 14 1 1 A 76 76 ILE N N 71 120.234 119.880 0.354 1
2 920 . 14 1 1 A 76 76 ILE H H 71 7.478 7.698 -0.220 1
2 921 . 14 1 1 A 76 76 ILE CA C 71 64.885 64.663 0.222 1
2 922 . 14 1 1 A 76 76 ILE HA H 71 3.960 3.752 0.208 1
2 923 . 14 1 1 A 76 76 ILE CB C 71 37.810 37.139 0.671 1
2 936 . 14 1 1 A 76 76 ILE C C 71 179.734 178.293 1.441 1
2 937 . 14 1 1 A 77 77 VAL N N 72 122.502 119.955 2.547 1
2 938 . 14 1 1 A 77 77 VAL H H 72 8.325 7.952 0.373 1
2 939 . 14 1 1 A 77 77 VAL CA C 72 67.450 66.597 0.853 1
2 940 . 14 1 1 A 77 77 VAL HA H 72 3.576 3.415 0.161 1
2 941 . 14 1 1 A 77 77 VAL CB C 72 30.928 31.311 -0.383 1
2 951 . 14 1 1 A 77 77 VAL C C 72 176.906 177.606 -0.700 1
2 952 . 14 1 1 A 78 78 ASP N N 73 120.524 119.966 0.558 1
2 953 . 14 1 1 A 78 78 ASP H H 73 8.798 8.180 0.618 1
2 954 . 14 1 1 A 78 78 ASP CA C 73 58.206 56.769 1.437 1
2 955 . 14 1 1 A 78 78 ASP HA H 73 4.379 4.478 -0.099 1
2 956 . 14 1 1 A 78 78 ASP CB C 73 41.420 40.985 0.435 1
2 960 . 14 1 1 A 78 78 ASP C C 73 178.068 178.431 -0.363 1
2 961 . 14 1 1 A 79 79 ASP N N 74 119.761 119.543 0.218 1
2 962 . 14 1 1 A 79 79 ASP H H 74 9.318 8.133 1.185 1
2 963 . 14 1 1 A 79 79 ASP CA C 74 57.025 57.428 -0.403 1
2 964 . 14 1 1 A 79 79 ASP HA H 74 4.404 4.304 0.100 1
2 965 . 14 1 1 A 79 79 ASP CB C 74 40.007 41.031 -1.024 1
2 969 . 14 1 1 A 79 79 ASP C C 74 178.813 178.864 -0.051 1
2 970 . 14 1 1 A 80 80 THR N N 75 117.342 116.161 1.181 1
2 971 . 14 1 1 A 80 80 THR H H 75 8.084 8.499 -0.415 1
2 972 . 14 1 1 A 80 80 THR CA C 75 66.977 66.308 0.669 1
2 973 . 14 1 1 A 80 80 THR HA H 75 3.826 3.903 -0.077 1
2 974 . 14 1 1 A 80 80 THR CB C 75 67.725 68.326 -0.601 1
2 980 . 14 1 1 A 80 80 THR C C 75 175.367 176.031 -0.664 1
2 981 . 14 1 1 A 81 81 TYR N N 76 123.732 120.568 3.164 1
2 982 . 14 1 1 A 81 81 TYR H H 76 8.830 8.375 0.455 1
2 983 . 14 1 1 A 81 81 TYR CA C 76 61.713 61.504 0.209 1
2 984 . 14 1 1 A 81 81 TYR HA H 76 4.265 4.309 -0.044 1
2 985 . 14 1 1 A 81 81 TYR CB C 76 38.849 39.004 -0.155 1
2 994 . 14 1 1 A 81 81 TYR C C 76 176.700 178.245 -1.545 1
2 995 . 14 1 1 A 82 82 ARG N N 77 118.508 118.502 0.006 1
2 996 . 14 1 1 A 82 82 ARG H H 77 8.754 8.568 0.186 1
2 997 . 14 1 1 A 82 82 ARG CA C 77 58.792 58.864 -0.072 1
2 998 . 14 1 1 A 82 82 ARG HA H 77 3.890 3.957 -0.067 1
2 999 . 14 1 1 A 82 82 ARG CB C 77 29.498 29.649 -0.151 1
2 1015 . 14 1 1 A 82 82 ARG C C 77 178.748 178.906 -0.158 1
2 1016 . 14 1 1 A 83 83 LYS N N 78 118.079 119.831 -1.752 1
2 1017 . 14 1 1 A 83 83 LYS H H 78 7.696 7.786 -0.090 1
2 1018 . 14 1 1 A 83 83 LYS CA C 78 58.671 58.920 -0.249 1
2 1019 . 14 1 1 A 83 83 LYS HA H 78 4.024 4.135 -0.111 1
2 1020 . 14 1 1 A 83 83 LYS CB C 78 32.057 32.123 -0.066 1
2 1026 . 14 1 1 A 83 83 LYS C C 78 177.743 178.476 -0.733 1
2 1027 . 14 1 1 A 84 84 MET N N 79 118.241 119.447 -1.206 1
2 1028 . 14 1 1 A 84 84 MET H H 79 7.748 8.258 -0.510 1
2 1029 . 14 1 1 A 84 84 MET CA C 79 57.209 57.974 -0.765 1
2 1030 . 14 1 1 A 84 84 MET HA H 79 4.170 4.280 -0.110 1
2 1031 . 14 1 1 A 84 84 MET CB C 79 32.320 32.559 -0.239 1
2 1041 . 14 1 1 A 84 84 MET C C 79 177.036 178.323 -1.287 1
2 1042 . 14 1 1 A 85 85 GLN N N 80 117.242 119.326 -2.084 1
2 1043 . 14 1 1 A 85 85 GLN H H 80 7.843 8.105 -0.262 1
2 1044 . 14 1 1 A 85 85 GLN CA C 80 56.523 58.419 -1.896 1
2 1045 . 14 1 1 A 85 85 GLN HA H 80 3.993 4.085 -0.092 1
2 1046 . 14 1 1 A 85 85 GLN CB C 80 28.240 27.937 0.303 1
2 1056 . 14 1 1 A 85 85 GLN C C 80 176.690 175.546 1.144 1
2 1057 . 14 1 1 A 86 86 ILE N N 81 119.178 118.739 0.439 1
2 1058 . 14 1 1 A 86 86 ILE H H 81 7.715 7.915 -0.200 1
2 1059 . 14 1 1 A 86 86 ILE CA C 81 62.073 62.578 -0.505 1
2 1060 . 14 1 1 A 86 86 ILE HA H 81 3.934 3.968 -0.034 1
2 1061 . 14 1 1 A 86 86 ILE CB C 81 37.966 36.526 1.440 1
2 1074 . 14 1 1 A 86 86 ILE C C 81 176.673 174.316 2.357 1
2 1075 . 14 1 1 A 87 87 GLN N N 82 121.386 120.389 0.997 1
2 1076 . 14 1 1 A 87 87 GLN H H 82 8.164 7.643 0.521 1
2 1077 . 14 1 1 A 87 87 GLN CA C 82 55.968 55.036 0.932 1
2 1078 . 14 1 1 A 87 87 GLN HA H 82 4.214 4.552 -0.338 1
2 1079 . 14 1 1 A 87 87 GLN CB C 82 28.735 32.077 -3.342 1
2 1088 . 14 1 1 A 87 87 GLN C C 82 175.836 175.174 0.662 1
2 1089 . 14 1 1 A 88 88 CYS N N 83 118.663 124.301 -5.638 1
2 1090 . 14 1 1 A 88 88 CYS H H 83 8.238 9.212 -0.974 1
2 1091 . 14 1 1 A 88 88 CYS CA C 83 57.997 60.822 -2.825 1
2 1092 . 14 1 1 A 88 88 CYS HA H 83 4.467 4.418 0.049 1
2 1093 . 14 1 1 A 88 88 CYS CB C 83 27.582 27.901 -0.319 1
2 1096 . 14 1 1 A 88 88 CYS C C 83 173.432 174.315 -0.883 1
2 1097 . 14 1 1 A 89 89 ALA N N 84 127.014 122.734 4.280 1
2 1098 . 14 1 1 A 89 89 ALA H H 84 8.249 8.429 -0.180 1
2 1099 . 14 1 1 A 89 89 ALA CA C 84 50.607 52.766 -2.159 1
2 1100 . 14 1 1 A 89 89 ALA HA H 84 4.544 4.123 0.421 1
2 1104 . 14 1 1 A 89 89 ALA CB C 84 17.658 17.250 0.408 1
2 1105 . 14 1 1 A 89 89 ALA C C 84 175.125 178.182 -3.057 1
2 1107 . 14 1 1 A 90 90 PRO CA C 85 62.995 63.575 -0.580 1
2 1108 . 14 1 1 A 90 90 PRO HA H 85 4.373 4.419 -0.046 1
2 1109 . 14 1 1 A 90 90 PRO CB C 85 31.692 32.181 -0.489 1
2 1117 . 14 1 1 A 90 90 PRO C C 85 176.407 177.002 -0.595 1
2 1118 . 14 1 1 A 91 91 ASP N N 86 119.209 118.772 0.437 1
2 1119 . 14 1 1 A 91 91 ASP H H 86 8.429 8.059 0.370 1
2 1120 . 14 1 1 A 91 91 ASP CA C 86 53.752 54.834 -1.082 1
2 1121 . 14 1 1 A 91 91 ASP HA H 86 4.394 4.349 0.045 1
2 1122 . 14 1 1 A 91 91 ASP CB C 86 40.319 39.089 1.230 1
2 1125 . 14 1 1 A 91 91 ASP C C 86 176.101 176.515 -0.414 1
2 1126 . 14 1 1 A 92 92 LEU N N 87 122.571 125.742 -3.171 1
2 1127 . 14 1 1 A 92 92 LEU H H 87 8.208 8.088 0.120 1
2 1128 . 14 1 1 A 92 92 LEU CA C 87 55.286 58.589 -3.303 1
2 1129 . 14 1 1 A 92 92 LEU HA H 87 4.204 3.964 0.240 1
2 1130 . 14 1 1 A 92 92 LEU CB C 87 41.786 42.188 -0.402 1
2 1143 . 14 1 1 A 92 92 LEU C C 87 177.406 177.268 0.138 1
2 1144 . 14 1 1 A 93 93 ALA N N 88 123.131 118.058 5.073 1
2 1145 . 14 1 1 A 93 93 ALA H H 88 8.305 7.427 0.878 1
2 1146 . 14 1 1 A 93 93 ALA CA C 88 52.876 52.582 0.294 1
2 1147 . 14 1 1 A 93 93 ALA HA H 88 4.263 4.262 0.001 1
2 1151 . 14 1 1 A 93 93 ALA CB C 88 18.672 21.134 -2.462 1
2 1152 . 14 1 1 A 93 93 ALA C C 88 178.033 177.846 0.187 1
2 1153 . 14 1 1 A 94 94 THR N N 89 112.097 109.101 2.996 1
2 1154 . 14 1 1 A 94 94 THR H H 89 7.994 8.122 -0.128 1
2 1155 . 14 1 1 A 94 94 THR CA C 89 61.640 63.169 -1.529 1
2 1156 . 14 1 1 A 94 94 THR HA H 89 4.251 3.893 0.358 1
2 1157 . 14 1 1 A 94 94 THR CB C 89 69.063 65.867 3.196 1
2 1163 . 14 1 1 A 94 94 THR C C 89 174.493 173.795 0.698 1
2 1164 . 14 1 1 A 95 95 ARG N N 90 122.704 114.002 8.702 1
2 1165 . 14 1 1 A 95 95 ARG H H 90 8.211 8.359 -0.148 1
2 1166 . 14 1 1 A 95 95 ARG CA C 90 55.718 57.231 -1.513 1
2 1167 . 14 1 1 A 95 95 ARG HA H 90 4.324 3.934 0.390 1
2 1168 . 14 1 1 A 95 95 ARG CB C 90 30.309 27.095 3.214 1
2 1179 . 14 1 1 A 95 95 ARG C C 90 175.927 176.003 -0.076 1
2 1180 . 14 1 1 A 96 96 SER N N 91 116.390 110.920 5.470 1
2 1181 . 14 1 1 A 96 96 SER H H 91 8.365 7.846 0.519 1
2 1182 . 14 1 1 A 96 96 SER CA C 91 57.823 59.943 -2.120 1
2 1183 . 14 1 1 A 96 96 SER HA H 91 4.356 4.504 -0.148 1
2 1184 . 14 1 1 A 96 96 SER CB C 91 63.214 64.034 -0.820 1
2 1187 . 14 1 1 A 96 96 SER C C 91 174.011 176.394 -2.383 1
2 1188 . 14 1 1 A 97 97 HIS N N 92 120.507 119.452 1.055 1
2 1189 . 14 1 1 A 97 97 HIS H H 92 8.541 8.017 0.524 1
2 1190 . 14 1 1 A 97 97 HIS CA C 92 54.960 58.614 -3.654 1
2 1191 . 14 1 1 A 97 97 HIS HA H 92 4.704 4.331 0.373 1
2 1192 . 14 1 1 A 97 97 HIS CB C 92 28.518 30.311 -1.793 1
2 1197 . 14 1 1 A 97 97 HIS C C 92 174.186 176.142 -1.956 1
2 1198 . 14 1 1 A 98 98 SER N N 93 116.801 109.926 6.875 1
2 1199 . 14 1 1 A 98 98 SER H H 93 8.455 7.737 0.718 1
2 1200 . 14 1 1 A 98 98 SER CA C 93 57.880 56.879 1.001 1
2 1201 . 14 1 1 A 98 98 SER HA H 93 4.445 4.585 -0.140 1
2 1202 . 14 1 1 A 98 98 SER CB C 93 63.434 62.984 0.450 1
2 1205 . 14 1 1 A 98 98 SER C C 93 174.508 173.687 0.821 1
2 1206 . 14 1 1 A 99 99 GLY N N 94 111.114 111.032 0.082 1
2 1207 . 14 1 1 A 99 99 GLY H H 94 8.597 8.495 0.102 1
2 1208 . 14 1 1 A 99 99 GLY CA C 94 44.888 45.331 -0.443 1
2 1209 . 14 1 1 A 99 99 GLY HA2 H 94 3.998 3.970 0.028 1
2 1210 . 14 1 1 A 99 99 GLY HA3 H 94 3.998 4.032 -0.034 1
2 1211 . 14 1 1 A 99 99 GLY C C 94 173.856 174.987 -1.131 1
2 1212 . 14 1 1 A 100 100 SER N N 95 115.398 116.548 -1.150 1
2 1213 . 14 1 1 A 100 100 SER H H 95 8.311 8.360 -0.049 1
2 1214 . 14 1 1 A 100 100 SER CA C 95 57.888 59.532 -1.644 1
2 1215 . 14 1 1 A 100 100 SER HA H 95 4.408 4.334 0.074 1
2 1216 . 14 1 1 A 100 100 SER CB C 95 63.328 61.127 2.201 1
2 1219 . 14 1 1 A 100 100 SER C C 95 173.725 173.786 -0.061 1
2 1220 . 14 1 1 A 101 101 ASP N N 96 121.810 119.630 2.180 1
2 1221 . 14 1 1 A 101 101 ASP H H 96 8.380 8.316 0.064 1
2 1222 . 14 1 1 A 101 101 ASP CA C 96 53.813 54.167 -0.354 1
2 1223 . 14 1 1 A 101 101 ASP HA H 96 4.536 4.883 -0.347 1
2 1224 . 14 1 1 A 101 101 ASP CB C 96 40.438 42.351 -1.913 1
2 1227 . 14 1 1 A 101 101 ASP C C 96 175.524 176.788 -1.264 1
2 1228 . 14 1 1 A 102 102 PHE N N 97 120.706 117.286 3.420 1
2 1229 . 14 1 1 A 102 102 PHE H H 97 8.249 8.141 0.108 1
2 1230 . 14 1 1 A 102 102 PHE CA C 97 57.323 57.411 -0.088 1
2 1231 . 14 1 1 A 102 102 PHE HA H 97 4.527 4.593 -0.066 1
2 1232 . 14 1 1 A 102 102 PHE CB C 97 38.989 38.832 0.157 1
2 1238 . 14 1 1 A 102 102 PHE C C 97 175.246 175.475 -0.229 1
2 1239 . 14 1 1 A 103 103 SER N N 98 116.992 117.765 -0.773 1
2 1240 . 14 1 1 A 103 103 SER H H 98 8.167 7.794 0.373 1
2 1241 . 14 1 1 A 103 103 SER CA C 98 57.883 58.940 -1.057 1
2 1242 . 14 1 1 A 103 103 SER HA H 98 4.317 4.258 0.059 1
2 1243 . 14 1 1 A 103 103 SER CB C 98 63.301 62.781 0.520 1
2 1246 . 14 1 1 A 103 103 SER C C 98 173.244 175.445 -2.201 1
2 1247 . 14 1 1 A 104 104 PHE N N 99 122.000 126.817 -4.817 1
2 1248 . 14 1 1 A 104 104 PHE H H 99 8.170 9.002 -0.832 1
2 1249 . 14 1 1 A 104 104 PHE CA C 99 57.236 58.602 -1.366 1
2 1250 . 14 1 1 A 104 104 PHE HA H 99 4.529 4.081 0.448 1
2 1251 . 14 1 1 A 104 104 PHE CB C 99 38.997 37.410 1.587 1
2 1257 . 14 1 1 A 104 104 PHE C C 99 174.632 175.489 -0.857 1
2 1258 . 14 1 1 A 105 105 ARG N N 100 124.796 117.712 7.084 1
2 1259 . 14 1 1 A 105 105 ARG H H 100 8.101 7.354 0.747 1
2 1260 . 14 1 1 A 105 105 ARG CA C 100 52.969 55.180 -2.211 1
2 1261 . 14 1 1 A 105 105 ARG HA H 100 4.516 4.261 0.255 1
2 1262 . 14 1 1 A 105 105 ARG CB C 100 30.069 29.949 0.120 1
2 1271 . 14 1 1 A 105 105 ARG C C 100 172.924 175.569 -2.645 1
2 1273 . 14 1 1 A 106 106 PRO CA C 101 62.673 62.143 0.530 1
2 1274 . 14 1 1 A 106 106 PRO HA H 101 4.351 4.435 -0.084 1
2 1275 . 14 1 1 A 106 106 PRO CB C 101 31.726 33.214 -1.488 1
2 1283 . 14 1 1 A 106 106 PRO C C 101 176.395 176.468 -0.073 1
2 1284 . 14 1 1 A 107 107 ILE N N 102 121.380 120.440 0.940 1
2 1285 . 14 1 1 A 107 107 ILE H H 102 8.350 8.553 -0.203 1
2 1286 . 14 1 1 A 107 107 ILE CA C 102 60.940 60.566 0.374 1
2 1287 . 14 1 1 A 107 107 ILE HA H 102 4.039 4.439 -0.400 1
2 1288 . 14 1 1 A 107 107 ILE CB C 102 38.204 37.721 0.483 1
2 1301 . 14 1 1 A 107 107 ILE C C 102 175.990 175.488 0.502 1
2 1302 . 14 1 1 A 108 108 GLU N N 103 124.836 119.539 5.297 1
2 1303 . 14 1 1 A 108 108 GLU H H 103 8.578 8.439 0.139 1
2 1304 . 14 1 1 A 108 108 GLU CA C 103 55.883 57.858 -1.975 1
2 1305 . 14 1 1 A 108 108 GLU HA H 103 4.280 3.925 0.355 1
2 1306 . 14 1 1 A 108 108 GLU CB C 103 29.902 28.039 1.863 1
2 1312 . 14 1 1 A 108 108 GLU C C 103 175.670 175.675 -0.005 1
2 1313 . 14 1 1 A 109 109 GLU N N 104 122.847 111.471 11.376 1
2 1314 . 14 1 1 A 109 109 GLU H H 104 8.459 8.453 0.006 1
2 1315 . 14 1 1 A 109 109 GLU CA C 104 55.902 57.798 -1.896 1
2 1316 . 14 1 1 A 109 109 GLU HA H 104 4.267 3.894 0.373 1
2 1317 . 14 1 1 A 109 109 GLU CB C 104 29.985 27.766 2.219 1
2 1322 . 14 1 1 A 109 109 GLU C C 104 174.661 176.838 -2.177 1
2 3 . 15 1 1 A 2 2 SER N N -4 115.528 112.790 2.738 1
2 4 . 15 1 1 A 2 2 SER H H -4 8.751 8.371 0.380 1
2 5 . 15 1 1 A 2 2 SER CA C -4 57.687 56.756 0.931 1
2 6 . 15 1 1 A 2 2 SER HA H -4 4.451 4.741 -0.290 1
2 7 . 15 1 1 A 2 2 SER CB C -4 63.389 63.178 0.211 1
2 8 . 15 1 1 A 2 2 SER C C -4 173.913 174.225 -0.312 1
2 9 . 15 1 1 A 3 3 HIS N N -3 120.998 114.768 6.230 1
2 10 . 15 1 1 A 3 3 HIS H H -3 8.769 7.948 0.821 1
2 11 . 15 1 1 A 3 3 HIS CA C -3 55.010 56.761 -1.751 1
2 12 . 15 1 1 A 3 3 HIS HA H -3 4.707 4.069 0.638 1
2 13 . 15 1 1 A 3 3 HIS CB C -3 28.916 26.706 2.210 1
2 16 . 15 1 1 A 3 3 HIS C C -3 174.207 174.313 -0.106 1
2 17 . 15 1 1 A 4 4 MET N N -2 122.227 116.758 5.469 1
2 18 . 15 1 1 A 4 4 MET H H -2 8.518 7.543 0.975 1
2 19 . 15 1 1 A 4 4 MET CA C -2 55.014 54.603 0.411 1
2 20 . 15 1 1 A 4 4 MET HA H -2 4.418 4.788 -0.370 1
2 21 . 15 1 1 A 4 4 MET CB C -2 32.678 33.113 -0.435 1
2 31 . 15 1 1 A 4 4 MET C C -2 175.481 174.635 0.846 1
2 49 . 15 1 1 A 7 7 ALA N N 2 124.549 123.030 1.519 1
2 50 . 15 1 1 A 7 7 ALA H H 2 8.453 8.150 0.303 1
2 51 . 15 1 1 A 7 7 ALA CA C 2 53.221 54.445 -1.224 1
2 52 . 15 1 1 A 7 7 ALA HA H 2 4.194 4.089 0.105 1
2 56 . 15 1 1 A 7 7 ALA CB C 2 18.431 18.241 0.190 1
2 57 . 15 1 1 A 7 7 ALA C C 2 178.162 179.236 -1.074 1
2 58 . 15 1 1 A 8 8 ASP N N 3 118.618 118.737 -0.119 1
2 59 . 15 1 1 A 8 8 ASP H H 3 8.064 7.865 0.199 1
2 60 . 15 1 1 A 8 8 ASP CA C 3 54.124 56.785 -2.661 1
2 61 . 15 1 1 A 8 8 ASP HA H 3 4.539 4.334 0.205 1
2 62 . 15 1 1 A 8 8 ASP CB C 3 40.341 40.994 -0.653 1
2 65 . 15 1 1 A 8 8 ASP C C 3 176.694 178.186 -1.492 1
2 66 . 15 1 1 A 9 9 LEU N N 4 123.427 120.387 3.040 1
2 67 . 15 1 1 A 9 9 LEU H H 4 8.202 8.001 0.201 1
2 68 . 15 1 1 A 9 9 LEU CA C 4 57.495 57.875 -0.380 1
2 69 . 15 1 1 A 9 9 LEU HA H 4 4.086 4.015 0.071 1
2 70 . 15 1 1 A 9 9 LEU CB C 4 41.905 41.647 0.258 1
2 82 . 15 1 1 A 9 9 LEU C C 4 178.839 178.635 0.204 1
2 83 . 15 1 1 A 10 10 VAL N N 5 119.385 119.207 0.178 1
2 84 . 15 1 1 A 10 10 VAL H H 5 8.186 8.376 -0.190 1
2 85 . 15 1 1 A 10 10 VAL CA C 5 66.585 66.747 -0.162 1
2 86 . 15 1 1 A 10 10 VAL HA H 5 3.420 3.509 -0.089 1
2 87 . 15 1 1 A 10 10 VAL CB C 5 31.177 31.514 -0.337 1
2 97 . 15 1 1 A 10 10 VAL C C 5 177.439 177.714 -0.275 1
2 98 . 15 1 1 A 11 11 SER N N 6 115.027 115.703 -0.676 1
2 99 . 15 1 1 A 11 11 SER H H 6 8.252 8.035 0.217 1
2 100 . 15 1 1 A 11 11 SER CA C 6 61.152 62.095 -0.943 1
2 101 . 15 1 1 A 11 11 SER HA H 6 4.055 4.084 -0.029 1
2 102 . 15 1 1 A 11 11 SER CB C 6 62.161 62.675 -0.514 1
2 105 . 15 1 1 A 11 11 SER C C 6 176.036 176.297 -0.261 1
2 106 . 15 1 1 A 12 12 SER N N 7 115.144 115.925 -0.781 1
2 107 . 15 1 1 A 12 12 SER H H 7 8.053 7.927 0.126 1
2 108 . 15 1 1 A 12 12 SER CA C 7 60.168 61.609 -1.441 1
2 109 . 15 1 1 A 12 12 SER HA H 7 4.284 4.062 0.222 1
2 110 . 15 1 1 A 12 12 SER CB C 7 62.706 62.857 -0.151 1
2 113 . 15 1 1 A 12 12 SER C C 7 176.540 177.249 -0.709 1
2 114 . 15 1 1 A 13 13 CYS N N 8 118.211 119.109 -0.898 1
2 115 . 15 1 1 A 13 13 CYS H H 8 7.919 8.554 -0.635 1
2 116 . 15 1 1 A 13 13 CYS CA C 8 63.651 63.971 -0.320 1
2 117 . 15 1 1 A 13 13 CYS HA H 8 4.026 4.120 -0.094 1
2 118 . 15 1 1 A 13 13 CYS CB C 8 26.641 26.971 -0.330 1
2 121 . 15 1 1 A 13 13 CYS C C 8 175.645 177.049 -1.404 1
2 122 . 15 1 1 A 14 14 LYS N N 9 120.074 121.407 -1.333 1
2 123 . 15 1 1 A 14 14 LYS H H 9 8.632 8.047 0.585 1
2 124 . 15 1 1 A 14 14 LYS CA C 9 60.441 59.651 0.790 1
2 125 . 15 1 1 A 14 14 LYS HA H 9 3.672 3.954 -0.282 1
2 126 . 15 1 1 A 14 14 LYS CB C 9 31.685 32.040 -0.355 1
2 138 . 15 1 1 A 14 14 LYS C C 9 177.615 177.824 -0.209 1
2 139 . 15 1 1 A 15 15 ASP N N 10 117.613 119.464 -1.851 1
2 140 . 15 1 1 A 15 15 ASP H H 10 7.732 8.102 -0.370 1
2 141 . 15 1 1 A 15 15 ASP CA C 10 56.175 57.307 -1.132 1
2 142 . 15 1 1 A 15 15 ASP HA H 10 4.307 4.204 0.103 1
2 143 . 15 1 1 A 15 15 ASP CB C 10 40.056 41.617 -1.561 1
2 146 . 15 1 1 A 15 15 ASP C C 10 177.650 178.482 -0.832 1
2 147 . 15 1 1 A 16 16 LYS N N 11 117.878 119.010 -1.132 1
2 148 . 15 1 1 A 16 16 LYS H H 11 7.254 7.735 -0.481 1
2 149 . 15 1 1 A 16 16 LYS CA C 11 58.962 58.995 -0.033 1
2 150 . 15 1 1 A 16 16 LYS HA H 11 3.645 3.559 0.086 1
2 151 . 15 1 1 A 16 16 LYS CB C 11 32.951 31.884 1.067 1
2 160 . 15 1 1 A 16 16 LYS C C 11 177.263 178.023 -0.760 1
2 161 . 15 1 1 A 17 17 LEU N N 12 115.652 121.824 -6.172 1
2 162 . 15 1 1 A 17 17 LEU H H 12 8.138 8.415 -0.277 1
2 163 . 15 1 1 A 17 17 LEU CA C 12 56.726 57.994 -1.268 1
2 164 . 15 1 1 A 17 17 LEU HA H 12 3.579 4.176 -0.597 1
2 165 . 15 1 1 A 17 17 LEU CB C 12 41.959 41.232 0.727 1
2 176 . 15 1 1 A 17 17 LEU C C 12 177.485 178.424 -0.939 1
2 177 . 15 1 1 A 18 18 ALA N N 13 116.044 120.656 -4.612 1
2 178 . 15 1 1 A 18 18 ALA H H 13 7.080 8.563 -1.483 1
2 179 . 15 1 1 A 18 18 ALA CA C 13 53.389 54.370 -0.981 1
2 180 . 15 1 1 A 18 18 ALA HA H 13 3.963 4.085 -0.122 1
2 184 . 15 1 1 A 18 18 ALA CB C 13 18.161 18.860 -0.699 1
2 185 . 15 1 1 A 18 18 ALA C C 13 178.207 179.776 -1.569 1
2 186 . 15 1 1 A 19 19 TYR N N 14 115.556 119.154 -3.598 1
2 187 . 15 1 1 A 19 19 TYR H H 14 7.675 7.489 0.186 1
2 188 . 15 1 1 A 19 19 TYR CA C 14 58.647 59.839 -1.192 1
2 189 . 15 1 1 A 19 19 TYR HA H 14 4.304 4.156 0.148 1
2 190 . 15 1 1 A 19 19 TYR CB C 14 38.609 39.075 -0.466 1
2 199 . 15 1 1 A 19 19 TYR C C 14 175.911 175.782 0.129 1
2 200 . 15 1 1 A 20 20 PHE N N 15 118.275 119.583 -1.308 1
2 201 . 15 1 1 A 20 20 PHE H H 15 7.406 7.648 -0.242 1
2 202 . 15 1 1 A 20 20 PHE CA C 15 56.615 57.157 -0.542 1
2 203 . 15 1 1 A 20 20 PHE HA H 15 4.649 4.729 -0.080 1
2 204 . 15 1 1 A 20 20 PHE CB C 15 38.750 40.404 -1.654 1
2 215 . 15 1 1 A 20 20 PHE C C 15 176.160 175.962 0.198 1
2 216 . 15 1 1 A 21 21 ARG N N 16 119.140 123.794 -4.654 1
2 217 . 15 1 1 A 21 21 ARG H H 16 8.714 8.423 0.291 1
2 218 . 15 1 1 A 21 21 ARG CA C 16 54.349 56.219 -1.870 1
2 219 . 15 1 1 A 21 21 ARG HA H 16 4.751 4.276 0.475 1
2 220 . 15 1 1 A 21 21 ARG CB C 16 30.097 31.340 -1.243 1
2 236 . 15 1 1 A 21 21 ARG C C 16 177.095 177.927 -0.832 1
2 237 . 15 1 1 A 22 22 ILE N N 17 120.734 124.202 -3.468 1
2 238 . 15 1 1 A 22 22 ILE H H 17 8.708 8.832 -0.124 1
2 239 . 15 1 1 A 22 22 ILE CA C 17 65.145 64.743 0.402 1
2 240 . 15 1 1 A 22 22 ILE HA H 17 3.720 3.724 -0.004 1
2 241 . 15 1 1 A 22 22 ILE CB C 17 36.857 37.621 -0.764 1
2 254 . 15 1 1 A 22 22 ILE C C 17 176.745 178.170 -1.425 1
2 255 . 15 1 1 A 23 23 LYS N N 18 118.184 121.447 -3.263 1
2 256 . 15 1 1 A 23 23 LYS H H 18 8.267 8.209 0.058 1
2 257 . 15 1 1 A 23 23 LYS CA C 18 59.829 60.109 -0.280 1
2 258 . 15 1 1 A 23 23 LYS HA H 18 3.897 3.892 0.005 1
2 259 . 15 1 1 A 23 23 LYS CB C 18 32.268 32.306 -0.038 1
2 271 . 15 1 1 A 23 23 LYS C C 18 178.159 178.904 -0.745 1
2 272 . 15 1 1 A 24 24 GLU N N 19 117.654 119.657 -2.003 1
2 273 . 15 1 1 A 24 24 GLU H H 19 7.198 7.977 -0.779 1
2 274 . 15 1 1 A 24 24 GLU CA C 19 60.612 59.185 1.427 1
2 275 . 15 1 1 A 24 24 GLU HA H 19 4.030 4.044 -0.014 1
2 276 . 15 1 1 A 24 24 GLU CB C 19 28.859 29.660 -0.801 1
2 282 . 15 1 1 A 24 24 GLU C C 19 178.521 178.603 -0.082 1
2 283 . 15 1 1 A 25 25 LEU N N 20 119.236 119.316 -0.080 1
2 284 . 15 1 1 A 25 25 LEU H H 20 7.980 7.938 0.042 1
2 285 . 15 1 1 A 25 25 LEU CA C 20 57.676 57.589 0.087 1
2 286 . 15 1 1 A 25 25 LEU HA H 20 3.904 4.002 -0.098 1
2 287 . 15 1 1 A 25 25 LEU CB C 20 42.218 41.309 0.909 1
2 294 . 15 1 1 A 25 25 LEU C C 20 177.990 178.756 -0.766 1
2 295 . 15 1 1 A 26 26 LYS N N 21 117.457 119.409 -1.952 1
2 296 . 15 1 1 A 26 26 LYS H H 21 8.770 8.474 0.296 1
2 297 . 15 1 1 A 26 26 LYS CA C 21 60.660 59.916 0.744 1
2 298 . 15 1 1 A 26 26 LYS HA H 21 3.787 3.971 -0.184 1
2 299 . 15 1 1 A 26 26 LYS CB C 21 31.876 32.268 -0.392 1
2 300 . 15 1 1 A 26 26 LYS C C 21 177.625 178.741 -1.116 1
2 301 . 15 1 1 A 27 27 ASP N N 22 119.023 119.713 -0.690 1
2 302 . 15 1 1 A 27 27 ASP H H 22 7.671 8.176 -0.505 1
2 303 . 15 1 1 A 27 27 ASP CA C 22 56.974 57.356 -0.382 1
2 304 . 15 1 1 A 27 27 ASP HA H 22 4.392 4.478 -0.086 1
2 305 . 15 1 1 A 27 27 ASP CB C 22 40.250 40.694 -0.444 1
2 308 . 15 1 1 A 27 27 ASP C C 22 180.796 178.950 1.846 1
2 309 . 15 1 1 A 28 28 ILE N N 23 119.318 120.208 -0.890 1
2 310 . 15 1 1 A 28 28 ILE H H 23 8.039 7.740 0.299 1
2 311 . 15 1 1 A 28 28 ILE CA C 23 65.365 65.774 -0.409 1
2 312 . 15 1 1 A 28 28 ILE HA H 23 3.587 3.636 -0.049 1
2 313 . 15 1 1 A 28 28 ILE CB C 23 37.408 38.276 -0.868 1
2 326 . 15 1 1 A 28 28 ILE C C 23 177.265 178.099 -0.834 1
2 327 . 15 1 1 A 29 29 LEU N N 24 120.356 121.736 -1.380 1
2 328 . 15 1 1 A 29 29 LEU H H 24 8.220 8.471 -0.251 1
2 329 . 15 1 1 A 29 29 LEU CA C 24 58.562 58.306 0.256 1
2 330 . 15 1 1 A 29 29 LEU HA H 24 3.806 4.067 -0.261 1
2 331 . 15 1 1 A 29 29 LEU CB C 24 39.477 41.227 -1.750 1
2 339 . 15 1 1 A 29 29 LEU C C 24 178.572 178.348 0.224 1
2 340 . 15 1 1 A 30 30 ASN N N 25 117.446 117.459 -0.013 1
2 341 . 15 1 1 A 30 30 ASN H H 25 8.688 8.094 0.594 1
2 342 . 15 1 1 A 30 30 ASN CA C 25 56.092 57.044 -0.952 1
2 343 . 15 1 1 A 30 30 ASN HA H 25 4.493 4.344 0.149 1
2 344 . 15 1 1 A 30 30 ASN CB C 25 38.809 40.180 -1.371 1
2 351 . 15 1 1 A 30 30 ASN C C 25 178.884 177.486 1.398 1
2 352 . 15 1 1 A 31 31 GLN N N 26 119.946 117.415 2.531 1
2 353 . 15 1 1 A 31 31 GLN H H 26 8.184 7.688 0.496 1
2 354 . 15 1 1 A 31 31 GLN CA C 26 58.786 58.525 0.261 1
2 355 . 15 1 1 A 31 31 GLN HA H 26 4.041 4.081 -0.040 1
2 356 . 15 1 1 A 31 31 GLN CB C 26 29.089 28.568 0.521 1
2 366 . 15 1 1 A 31 31 GLN C C 26 177.656 179.179 -1.523 1
2 367 . 15 1 1 A 32 32 LEU N N 27 116.979 115.193 1.786 1
2 368 . 15 1 1 A 32 32 LEU H H 27 7.893 7.822 0.071 1
2 369 . 15 1 1 A 32 32 LEU CA C 27 54.545 54.861 -0.316 1
2 370 . 15 1 1 A 32 32 LEU HA H 27 4.227 4.290 -0.063 1
2 371 . 15 1 1 A 32 32 LEU CB C 27 42.063 42.249 -0.186 1
2 382 . 15 1 1 A 32 32 LEU C C 27 175.733 177.319 -1.586 1
2 383 . 15 1 1 A 33 33 GLY N N 28 108.299 108.657 -0.358 1
2 384 . 15 1 1 A 33 33 GLY H H 28 7.834 7.554 0.280 1
2 385 . 15 1 1 A 33 33 GLY CA C 28 45.707 45.694 0.013 1
2 386 . 15 1 1 A 33 33 GLY HA2 H 28 3.952 3.991 -0.039 1
2 387 . 15 1 1 A 33 33 GLY HA3 H 28 3.952 3.992 -0.040 1
2 388 . 15 1 1 A 33 33 GLY C C 28 174.317 175.063 -0.746 1
2 389 . 15 1 1 A 34 34 LEU N N 29 120.833 120.161 0.672 1
2 390 . 15 1 1 A 34 34 LEU H H 29 7.986 7.809 0.177 1
2 391 . 15 1 1 A 34 34 LEU CA C 29 51.558 54.044 -2.486 1
2 392 . 15 1 1 A 34 34 LEU HA H 29 4.744 4.349 0.395 1
2 393 . 15 1 1 A 34 34 LEU CB C 29 43.525 42.364 1.161 1
2 405 . 15 1 1 A 35 35 PRO CA C 30 62.707 62.242 0.465 1
2 406 . 15 1 1 A 35 35 PRO HA H 30 4.351 4.580 -0.229 1
2 407 . 15 1 1 A 35 35 PRO CB C 30 31.919 33.221 -1.302 1
2 415 . 15 1 1 A 35 35 PRO C C 30 177.488 176.467 1.021 1
2 416 . 15 1 1 A 36 36 LYS N N 31 117.590 119.280 -1.690 1
2 417 . 15 1 1 A 36 36 LYS H H 31 8.380 9.092 -0.712 1
2 418 . 15 1 1 A 36 36 LYS CA C 31 55.660 57.715 -2.055 1
2 419 . 15 1 1 A 36 36 LYS HA H 31 4.286 4.108 0.178 1
2 420 . 15 1 1 A 36 36 LYS CB C 31 33.239 32.947 0.292 1
2 430 . 15 1 1 A 36 36 LYS C C 31 174.384 176.361 -1.977 1
2 431 . 15 1 1 A 37 37 GLN N N 32 118.260 114.332 3.928 1
2 432 . 15 1 1 A 37 37 GLN H H 32 7.698 7.653 0.045 1
2 433 . 15 1 1 A 37 37 GLN CA C 32 55.550 54.766 0.784 1
2 434 . 15 1 1 A 37 37 GLN HA H 32 4.376 4.627 -0.251 1
2 435 . 15 1 1 A 37 37 GLN CB C 32 28.221 31.232 -3.011 1
2 445 . 15 1 1 A 37 37 GLN C C 32 175.222 174.046 1.176 1
2 446 . 15 1 1 A 38 38 GLY N N 33 109.855 106.255 3.600 1
2 447 . 15 1 1 A 38 38 GLY H H 33 8.449 8.461 -0.012 1
2 448 . 15 1 1 A 38 38 GLY CA C 33 43.235 45.528 -2.293 1
2 449 . 15 1 1 A 38 38 GLY HA2 H 33 4.566 4.158 0.408 1
2 450 . 15 1 1 A 38 38 GLY HA3 H 33 3.789 4.159 -0.370 1
2 451 . 15 1 1 A 38 38 GLY C C 33 173.603 172.886 0.717 1
2 452 . 15 1 1 A 39 39 LYS N N 34 117.627 124.640 -7.013 1
2 453 . 15 1 1 A 39 39 LYS H H 34 8.649 8.499 0.150 1
2 454 . 15 1 1 A 39 39 LYS CA C 34 54.563 55.822 -1.259 1
2 455 . 15 1 1 A 39 39 LYS HA H 34 4.394 4.409 -0.015 1
2 456 . 15 1 1 A 39 39 LYS CB C 34 32.892 33.445 -0.553 1
2 468 . 15 1 1 A 39 39 LYS C C 34 176.803 178.141 -1.338 1
2 469 . 15 1 1 A 40 40 LYS N N 35 121.705 122.434 -0.729 1
2 470 . 15 1 1 A 40 40 LYS H H 35 8.920 8.800 0.120 1
2 471 . 15 1 1 A 40 40 LYS CA C 35 61.559 60.634 0.925 1
2 472 . 15 1 1 A 40 40 LYS HA H 35 3.597 3.913 -0.316 1
2 473 . 15 1 1 A 40 40 LYS CB C 35 31.953 32.211 -0.258 1
2 485 . 15 1 1 A 40 40 LYS C C 35 177.362 178.152 -0.790 1
2 486 . 15 1 1 A 41 41 GLN N N 36 114.637 118.730 -4.093 1
2 487 . 15 1 1 A 41 41 GLN H H 36 9.017 7.927 1.090 1
2 488 . 15 1 1 A 41 41 GLN CA C 36 57.638 58.780 -1.142 1
2 489 . 15 1 1 A 41 41 GLN HA H 36 3.719 4.009 -0.290 1
2 490 . 15 1 1 A 41 41 GLN CB C 36 27.865 28.315 -0.450 1
2 500 . 15 1 1 A 41 41 GLN C C 36 176.975 178.396 -1.421 1
2 501 . 15 1 1 A 42 42 ASP N N 37 115.984 119.947 -3.963 1
2 502 . 15 1 1 A 42 42 ASP H H 37 7.049 8.209 -1.160 1
2 503 . 15 1 1 A 42 42 ASP CA C 37 56.424 57.380 -0.956 1
2 504 . 15 1 1 A 42 42 ASP HA H 37 4.303 4.365 -0.062 1
2 505 . 15 1 1 A 42 42 ASP CB C 37 39.955 40.745 -0.790 1
2 508 . 15 1 1 A 42 42 ASP C C 37 178.454 178.969 -0.515 1
2 509 . 15 1 1 A 43 43 LEU N N 38 119.074 120.657 -1.583 1
2 510 . 15 1 1 A 43 43 LEU H H 38 7.725 8.507 -0.782 1
2 511 . 15 1 1 A 43 43 LEU CA C 38 57.716 57.994 -0.278 1
2 512 . 15 1 1 A 43 43 LEU HA H 38 3.794 3.975 -0.181 1
2 513 . 15 1 1 A 43 43 LEU CB C 38 40.211 42.146 -1.935 1
2 526 . 15 1 1 A 43 43 LEU C C 38 177.872 179.113 -1.241 1
2 527 . 15 1 1 A 44 44 ILE N N 39 118.343 118.833 -0.490 1
2 528 . 15 1 1 A 44 44 ILE H H 39 7.867 8.064 -0.197 1
2 529 . 15 1 1 A 44 44 ILE CA C 39 66.211 65.748 0.463 1
2 530 . 15 1 1 A 44 44 ILE HA H 39 3.319 3.495 -0.176 1
2 531 . 15 1 1 A 44 44 ILE CB C 39 37.985 37.866 0.119 1
2 541 . 15 1 1 A 44 44 ILE C C 39 177.711 177.653 0.058 1
2 542 . 15 1 1 A 45 45 ASP N N 40 118.535 120.528 -1.993 1
2 543 . 15 1 1 A 45 45 ASP H H 40 8.503 8.597 -0.094 1
2 544 . 15 1 1 A 45 45 ASP CA C 40 56.817 57.523 -0.706 1
2 545 . 15 1 1 A 45 45 ASP HA H 40 4.256 4.475 -0.219 1
2 546 . 15 1 1 A 45 45 ASP CB C 40 39.815 40.559 -0.744 1
2 549 . 15 1 1 A 45 45 ASP C C 40 178.464 179.098 -0.634 1
2 550 . 15 1 1 A 46 46 ARG N N 41 120.910 120.286 0.624 1
2 551 . 15 1 1 A 46 46 ARG H H 41 7.717 7.825 -0.108 1
2 552 . 15 1 1 A 46 46 ARG CA C 41 59.054 59.615 -0.561 1
2 553 . 15 1 1 A 46 46 ARG HA H 41 3.993 4.072 -0.079 1
2 554 . 15 1 1 A 46 46 ARG CB C 41 29.778 30.427 -0.649 1
2 563 . 15 1 1 A 46 46 ARG C C 41 177.565 178.436 -0.871 1
2 564 . 15 1 1 A 47 47 VAL N N 42 117.438 119.799 -2.361 1
2 565 . 15 1 1 A 47 47 VAL H H 42 7.445 8.247 -0.802 1
2 566 . 15 1 1 A 47 47 VAL CA C 42 66.095 66.363 -0.268 1
2 567 . 15 1 1 A 47 47 VAL HA H 42 3.446 3.680 -0.234 1
2 568 . 15 1 1 A 47 47 VAL CB C 42 31.113 31.837 -0.724 1
2 578 . 15 1 1 A 47 47 VAL C C 42 177.710 178.583 -0.873 1
2 579 . 15 1 1 A 48 48 LEU N N 43 117.085 117.771 -0.686 1
2 580 . 15 1 1 A 48 48 LEU H H 43 8.466 7.975 0.491 1
2 581 . 15 1 1 A 48 48 LEU CA C 43 57.406 57.854 -0.448 1
2 582 . 15 1 1 A 48 48 LEU HA H 43 3.851 3.950 -0.099 1
2 583 . 15 1 1 A 48 48 LEU CB C 43 40.779 41.198 -0.419 1
2 596 . 15 1 1 A 48 48 LEU C C 43 179.581 179.571 0.010 1
2 597 . 15 1 1 A 49 49 ALA N N 44 120.480 121.914 -1.434 1
2 598 . 15 1 1 A 49 49 ALA H H 44 7.952 8.162 -0.210 1
2 599 . 15 1 1 A 49 49 ALA CA C 44 53.998 54.709 -0.711 1
2 600 . 15 1 1 A 49 49 ALA HA H 44 4.104 4.125 -0.021 1
2 604 . 15 1 1 A 49 49 ALA CB C 44 17.685 18.201 -0.516 1
2 605 . 15 1 1 A 49 49 ALA C C 44 178.926 180.259 -1.333 1
2 606 . 15 1 1 A 50 50 LEU N N 45 115.306 119.471 -4.165 1
2 607 . 15 1 1 A 50 50 LEU H H 45 7.428 7.985 -0.557 1
2 608 . 15 1 1 A 50 50 LEU CA C 45 55.650 57.730 -2.080 1
2 609 . 15 1 1 A 50 50 LEU HA H 45 4.206 4.044 0.162 1
2 610 . 15 1 1 A 50 50 LEU CB C 45 41.937 41.984 -0.047 1
2 623 . 15 1 1 A 50 50 LEU C C 45 177.840 179.333 -1.493 1
2 624 . 15 1 1 A 51 51 LEU N N 46 115.880 117.126 -1.246 1
2 625 . 15 1 1 A 51 51 LEU H H 46 7.642 8.071 -0.429 1
2 626 . 15 1 1 A 51 51 LEU CA C 46 54.861 56.578 -1.717 1
2 627 . 15 1 1 A 51 51 LEU HA H 46 4.260 4.147 0.113 1
2 628 . 15 1 1 A 51 51 LEU CB C 46 42.228 41.782 0.446 1
2 638 . 15 1 1 A 51 51 LEU C C 46 176.015 177.652 -1.637 1
2 639 . 15 1 1 A 52 52 THR N N 47 109.201 112.767 -3.566 1
2 640 . 15 1 1 A 52 52 THR H H 47 7.515 7.525 -0.010 1
2 641 . 15 1 1 A 52 52 THR CA C 47 60.972 64.535 -3.563 1
2 642 . 15 1 1 A 52 52 THR HA H 47 4.345 4.301 0.044 1
2 643 . 15 1 1 A 52 52 THR CB C 47 69.620 69.277 0.343 1
2 649 . 15 1 1 A 52 52 THR C C 47 173.733 175.307 -1.574 1
2 650 . 15 1 1 A 53 53 ASP N N 48 122.188 119.458 2.730 1
2 651 . 15 1 1 A 53 53 ASP H H 48 8.280 8.310 -0.030 1
2 652 . 15 1 1 A 53 53 ASP CA C 48 54.205 56.360 -2.155 1
2 653 . 15 1 1 A 53 53 ASP HA H 48 4.686 4.501 0.185 1
2 654 . 15 1 1 A 53 53 ASP CB C 48 40.766 40.408 0.358 1
2 658 . 15 1 1 A 53 53 ASP C C 48 176.000 176.689 -0.689 1
2 659 . 15 1 1 A 54 54 GLU N N 49 121.966 118.492 3.474 1
2 660 . 15 1 1 A 54 54 GLU H H 49 8.589 7.779 0.810 1
2 661 . 15 1 1 A 54 54 GLU CA C 49 56.448 55.560 0.888 1
2 662 . 15 1 1 A 54 54 GLU HA H 49 4.234 4.664 -0.430 1
2 663 . 15 1 1 A 54 54 GLU CB C 49 29.642 30.890 -1.248 1
2 669 . 15 1 1 A 54 54 GLU C C 49 176.522 176.767 -0.245 1
2 670 . 15 1 1 A 55 55 GLN N N 50 120.727 119.488 1.239 1
2 671 . 15 1 1 A 55 55 GLN H H 50 8.642 7.910 0.732 1
2 672 . 15 1 1 A 55 55 GLN CA C 50 56.251 56.797 -0.546 1
2 673 . 15 1 1 A 55 55 GLN HA H 50 4.217 4.085 0.132 1
2 674 . 15 1 1 A 55 55 GLN CB C 50 28.555 28.293 0.262 1
2 684 . 15 1 1 A 55 55 GLN C C 50 176.519 176.287 0.232 1
2 685 . 15 1 1 A 56 56 GLY N N 51 109.357 107.656 1.701 1
2 686 . 15 1 1 A 56 56 GLY H H 51 8.519 7.463 1.056 1
2 687 . 15 1 1 A 56 56 GLY CA C 51 45.276 45.342 -0.066 1
2 688 . 15 1 1 A 56 56 GLY HA2 H 51 3.950 4.112 -0.162 1
2 689 . 15 1 1 A 56 56 GLY HA3 H 51 3.809 4.140 -0.331 1
2 690 . 15 1 1 A 56 56 GLY C C 51 174.146 174.101 0.045 1
2 691 . 15 1 1 A 57 57 GLN N N 52 119.207 120.039 -0.832 1
2 692 . 15 1 1 A 57 57 GLN H H 52 8.263 7.804 0.459 1
2 693 . 15 1 1 A 57 57 GLN CA C 52 55.572 54.846 0.726 1
2 694 . 15 1 1 A 57 57 GLN HA H 52 4.203 4.585 -0.382 1
2 695 . 15 1 1 A 57 57 GLN CB C 52 28.656 28.464 0.192 1
2 705 . 15 1 1 A 57 57 GLN C C 52 175.872 175.653 0.219 1
2 706 . 15 1 1 A 58 58 ARG N N 53 120.525 121.710 -1.185 1
2 707 . 15 1 1 A 58 58 ARG H H 53 8.279 8.074 0.205 1
2 708 . 15 1 1 A 58 58 ARG CA C 53 55.883 55.026 0.857 1
2 709 . 15 1 1 A 58 58 ARG HA H 53 4.176 4.565 -0.389 1
2 710 . 15 1 1 A 58 58 ARG CB C 53 30.031 31.624 -1.593 1
2 721 . 15 1 1 A 58 58 ARG C C 53 175.820 175.893 -0.073 1
2 722 . 15 1 1 A 59 59 HIS N N 54 118.905 117.119 1.786 1
2 723 . 15 1 1 A 59 59 HIS H H 54 8.398 8.152 0.246 1
2 724 . 15 1 1 A 59 59 HIS CA C 54 54.908 56.792 -1.884 1
2 725 . 15 1 1 A 59 59 HIS HA H 54 4.548 3.636 0.912 1
2 726 . 15 1 1 A 59 59 HIS CB C 54 28.953 28.221 0.732 1
2 729 . 15 1 1 A 59 59 HIS C C 54 174.136 173.806 0.330 1
2 730 . 15 1 1 A 60 60 HIS N N 55 119.527 114.932 4.595 1
2 731 . 15 1 1 A 60 60 HIS H H 55 8.493 8.376 0.117 1
2 732 . 15 1 1 A 60 60 HIS CA C 55 55.274 57.383 -2.109 1
2 733 . 15 1 1 A 60 60 HIS HA H 55 4.552 4.055 0.497 1
2 734 . 15 1 1 A 60 60 HIS CB C 55 28.913 28.017 0.896 1
2 737 . 15 1 1 A 60 60 HIS C C 55 174.595 175.158 -0.563 1
2 738 . 15 1 1 A 61 61 GLY N N 56 110.215 109.028 1.187 1
2 739 . 15 1 1 A 61 61 GLY H H 56 8.604 7.643 0.961 1
2 740 . 15 1 1 A 61 61 GLY CA C 56 44.977 45.316 -0.339 1
2 741 . 15 1 1 A 61 61 GLY HA2 H 56 3.956 3.700 0.256 1
2 742 . 15 1 1 A 61 61 GLY HA3 H 56 3.831 3.786 0.045 1
2 743 . 15 1 1 A 61 61 GLY C C 56 173.752 174.935 -1.183 1
2 744 . 15 1 1 A 62 62 TRP N N 57 120.700 117.268 3.432 1
2 745 . 15 1 1 A 62 62 TRP H H 57 8.175 7.113 1.062 1
2 746 . 15 1 1 A 62 62 TRP CA C 57 56.929 57.134 -0.205 1
2 747 . 15 1 1 A 62 62 TRP HA H 57 4.663 4.908 -0.245 1
2 748 . 15 1 1 A 62 62 TRP CB C 57 29.142 30.274 -1.132 1
2 763 . 15 1 1 A 62 62 TRP C C 57 176.442 177.391 -0.949 1
2 764 . 15 1 1 A 63 63 GLY N N 58 110.195 109.736 0.459 1
2 765 . 15 1 1 A 63 63 GLY H H 58 8.452 8.342 0.110 1
2 766 . 15 1 1 A 63 63 GLY CA C 58 45.052 46.971 -1.919 1
2 767 . 15 1 1 A 63 63 GLY HA2 H 58 3.925 3.948 -0.023 1
2 768 . 15 1 1 A 63 63 GLY HA3 H 58 3.833 4.034 -0.201 1
2 769 . 15 1 1 A 63 63 GLY C C 58 173.738 174.632 -0.894 1
2 770 . 15 1 1 A 64 64 ARG N N 59 120.374 120.380 -0.006 1
2 771 . 15 1 1 A 64 64 ARG H H 59 8.136 7.698 0.438 1
2 772 . 15 1 1 A 64 64 ARG CA C 59 55.799 54.835 0.964 1
2 773 . 15 1 1 A 64 64 ARG HA H 59 4.287 4.392 -0.105 1
2 774 . 15 1 1 A 64 64 ARG CB C 59 30.371 28.710 1.661 1
2 785 . 15 1 1 A 64 64 ARG C C 59 176.287 175.648 0.639 1
2 786 . 15 1 1 A 65 65 LYS N N 60 121.593 122.459 -0.866 1
2 787 . 15 1 1 A 65 65 LYS H H 60 8.483 8.271 0.212 1
2 788 . 15 1 1 A 65 65 LYS CA C 60 56.353 57.626 -1.273 1
2 789 . 15 1 1 A 65 65 LYS HA H 60 4.218 4.033 0.185 1
2 790 . 15 1 1 A 65 65 LYS CB C 60 32.260 31.836 0.424 1
2 796 . 15 1 1 A 65 65 LYS C C 60 176.102 175.813 0.289 1
2 797 . 15 1 1 A 66 66 ASN N N 61 118.654 116.689 1.965 1
2 798 . 15 1 1 A 66 66 ASN H H 61 8.413 8.932 -0.519 1
2 799 . 15 1 1 A 66 66 ASN CA C 61 53.055 54.009 -0.954 1
2 800 . 15 1 1 A 66 66 ASN HA H 61 4.639 4.590 0.049 1
2 801 . 15 1 1 A 66 66 ASN CB C 61 38.385 36.378 2.007 1
2 808 . 15 1 1 A 66 66 ASN C C 61 174.531 174.975 -0.444 1
2 809 . 15 1 1 A 67 67 SER N N 62 115.491 114.705 0.786 1
2 810 . 15 1 1 A 67 67 SER H H 62 8.288 7.755 0.533 1
2 811 . 15 1 1 A 67 67 SER CA C 62 57.980 58.473 -0.493 1
2 812 . 15 1 1 A 67 67 SER HA H 62 4.283 4.559 -0.276 1
2 813 . 15 1 1 A 67 67 SER CB C 62 63.205 61.786 1.419 1
2 816 . 15 1 1 A 67 67 SER C C 62 173.864 174.506 -0.642 1
2 817 . 15 1 1 A 68 68 LEU N N 63 123.549 119.111 4.438 1
2 818 . 15 1 1 A 68 68 LEU H H 63 8.063 7.992 0.071 1
2 819 . 15 1 1 A 68 68 LEU CA C 63 54.098 54.110 -0.012 1
2 820 . 15 1 1 A 68 68 LEU HA H 63 4.481 4.559 -0.078 1
2 821 . 15 1 1 A 68 68 LEU CB C 63 42.494 42.900 -0.406 1
2 834 . 15 1 1 A 68 68 LEU C C 63 176.532 175.710 0.822 1
2 835 . 15 1 1 A 69 69 THR N N 64 112.637 111.821 0.816 1
2 836 . 15 1 1 A 69 69 THR H H 64 7.797 6.997 0.800 1
2 837 . 15 1 1 A 69 69 THR CA C 64 59.915 59.141 0.774 1
2 838 . 15 1 1 A 69 69 THR HA H 64 4.490 4.935 -0.445 1
2 839 . 15 1 1 A 69 69 THR CB C 64 70.852 71.545 -0.693 1
2 845 . 15 1 1 A 69 69 THR C C 64 174.998 175.027 -0.029 1
2 846 . 15 1 1 A 70 70 LYS N N 65 120.128 121.669 -1.541 1
2 847 . 15 1 1 A 70 70 LYS H H 65 9.059 8.807 0.252 1
2 848 . 15 1 1 A 70 70 LYS CA C 65 59.535 59.001 0.534 1
2 849 . 15 1 1 A 70 70 LYS HA H 65 3.909 3.979 -0.070 1
2 850 . 15 1 1 A 70 70 LYS CB C 65 31.890 31.879 0.011 1
2 858 . 15 1 1 A 70 70 LYS C C 65 177.536 178.390 -0.854 1
2 859 . 15 1 1 A 71 71 GLU N N 66 117.667 119.444 -1.777 1
2 860 . 15 1 1 A 71 71 GLU H H 66 8.699 8.534 0.165 1
2 861 . 15 1 1 A 71 71 GLU CA C 66 60.199 59.038 1.161 1
2 862 . 15 1 1 A 71 71 GLU HA H 66 3.806 4.036 -0.230 1
2 863 . 15 1 1 A 71 71 GLU CB C 66 27.986 29.688 -1.702 1
2 870 . 15 1 1 A 71 71 GLU C C 66 178.416 178.964 -0.548 1
2 871 . 15 1 1 A 72 72 ALA N N 67 123.924 122.069 1.855 1
2 872 . 15 1 1 A 72 72 ALA H H 67 7.992 7.185 0.807 1
2 873 . 15 1 1 A 72 72 ALA CA C 67 54.477 54.974 -0.497 1
2 874 . 15 1 1 A 72 72 ALA HA H 67 4.110 4.081 0.029 1
2 878 . 15 1 1 A 72 72 ALA CB C 67 18.301 18.534 -0.233 1
2 879 . 15 1 1 A 72 72 ALA C C 67 178.721 179.519 -0.798 1
2 880 . 15 1 1 A 73 73 VAL N N 68 119.434 117.858 1.576 1
2 881 . 15 1 1 A 73 73 VAL H H 68 8.044 8.068 -0.024 1
2 882 . 15 1 1 A 73 73 VAL CA C 68 66.089 66.626 -0.537 1
2 883 . 15 1 1 A 73 73 VAL HA H 68 3.473 3.559 -0.086 1
2 884 . 15 1 1 A 73 73 VAL CB C 68 31.150 31.606 -0.456 1
2 894 . 15 1 1 A 73 73 VAL C C 68 177.001 178.510 -1.509 1
2 895 . 15 1 1 A 74 74 ALA N N 69 120.671 121.515 -0.844 1
2 896 . 15 1 1 A 74 74 ALA H H 69 8.407 8.308 0.099 1
2 897 . 15 1 1 A 74 74 ALA CA C 69 54.727 55.110 -0.383 1
2 898 . 15 1 1 A 74 74 ALA HA H 69 3.968 4.086 -0.118 1
2 902 . 15 1 1 A 74 74 ALA CB C 69 18.066 17.976 0.090 1
2 903 . 15 1 1 A 74 74 ALA C C 69 178.820 179.591 -0.771 1
2 904 . 15 1 1 A 75 75 LYS N N 70 118.624 118.076 0.548 1
2 905 . 15 1 1 A 75 75 LYS H H 70 7.930 7.956 -0.026 1
2 906 . 15 1 1 A 75 75 LYS CA C 70 58.807 60.061 -1.254 1
2 907 . 15 1 1 A 75 75 LYS HA H 70 4.086 3.949 0.137 1
2 908 . 15 1 1 A 75 75 LYS CB C 70 31.776 32.196 -0.420 1
2 918 . 15 1 1 A 75 75 LYS C C 70 177.424 178.747 -1.323 1
2 919 . 15 1 1 A 76 76 ILE N N 71 120.234 119.811 0.423 1
2 920 . 15 1 1 A 76 76 ILE H H 71 7.478 7.817 -0.339 1
2 921 . 15 1 1 A 76 76 ILE CA C 71 64.885 65.062 -0.177 1
2 922 . 15 1 1 A 76 76 ILE HA H 71 3.960 3.650 0.310 1
2 923 . 15 1 1 A 76 76 ILE CB C 71 37.810 37.951 -0.141 1
2 936 . 15 1 1 A 76 76 ILE C C 71 179.734 177.746 1.988 1
2 937 . 15 1 1 A 77 77 VAL N N 72 122.502 119.532 2.970 1
2 938 . 15 1 1 A 77 77 VAL H H 72 8.325 7.909 0.416 1
2 939 . 15 1 1 A 77 77 VAL CA C 72 67.450 66.591 0.859 1
2 940 . 15 1 1 A 77 77 VAL HA H 72 3.576 3.618 -0.042 1
2 941 . 15 1 1 A 77 77 VAL CB C 72 30.928 31.576 -0.648 1
2 951 . 15 1 1 A 77 77 VAL C C 72 176.906 177.463 -0.557 1
2 952 . 15 1 1 A 78 78 ASP N N 73 120.524 120.399 0.125 1
2 953 . 15 1 1 A 78 78 ASP H H 73 8.798 8.046 0.752 1
2 954 . 15 1 1 A 78 78 ASP CA C 73 58.206 57.082 1.124 1
2 955 . 15 1 1 A 78 78 ASP HA H 73 4.379 4.523 -0.144 1
2 956 . 15 1 1 A 78 78 ASP CB C 73 41.420 40.834 0.586 1
2 960 . 15 1 1 A 78 78 ASP C C 73 178.068 178.633 -0.565 1
2 961 . 15 1 1 A 79 79 ASP N N 74 119.761 119.533 0.228 1
2 962 . 15 1 1 A 79 79 ASP H H 74 9.318 8.126 1.192 1
2 963 . 15 1 1 A 79 79 ASP CA C 74 57.025 57.337 -0.312 1
2 964 . 15 1 1 A 79 79 ASP HA H 74 4.404 4.318 0.086 1
2 965 . 15 1 1 A 79 79 ASP CB C 74 40.007 40.570 -0.563 1
2 969 . 15 1 1 A 79 79 ASP C C 74 178.813 178.919 -0.106 1
2 970 . 15 1 1 A 80 80 THR N N 75 117.342 116.322 1.020 1
2 971 . 15 1 1 A 80 80 THR H H 75 8.084 7.933 0.151 1
2 972 . 15 1 1 A 80 80 THR CA C 75 66.977 66.284 0.693 1
2 973 . 15 1 1 A 80 80 THR HA H 75 3.826 3.675 0.151 1
2 974 . 15 1 1 A 80 80 THR CB C 75 67.725 67.802 -0.077 1
2 980 . 15 1 1 A 80 80 THR C C 75 175.367 175.453 -0.086 1
2 981 . 15 1 1 A 81 81 TYR N N 76 123.732 121.581 2.151 1
2 982 . 15 1 1 A 81 81 TYR H H 76 8.830 8.224 0.606 1
2 983 . 15 1 1 A 81 81 TYR CA C 76 61.713 61.023 0.690 1
2 984 . 15 1 1 A 81 81 TYR HA H 76 4.265 4.432 -0.167 1
2 985 . 15 1 1 A 81 81 TYR CB C 76 38.849 38.824 0.025 1
2 994 . 15 1 1 A 81 81 TYR C C 76 176.700 177.900 -1.200 1
2 995 . 15 1 1 A 82 82 ARG N N 77 118.508 118.729 -0.221 1
2 996 . 15 1 1 A 82 82 ARG H H 77 8.754 8.329 0.425 1
2 997 . 15 1 1 A 82 82 ARG CA C 77 58.792 59.361 -0.569 1
2 998 . 15 1 1 A 82 82 ARG HA H 77 3.890 4.076 -0.186 1
2 999 . 15 1 1 A 82 82 ARG CB C 77 29.498 30.437 -0.939 1
2 1015 . 15 1 1 A 82 82 ARG C C 77 178.748 178.228 0.520 1
2 1016 . 15 1 1 A 83 83 LYS N N 78 118.079 119.875 -1.796 1
2 1017 . 15 1 1 A 83 83 LYS H H 78 7.696 8.002 -0.306 1
2 1018 . 15 1 1 A 83 83 LYS CA C 78 58.671 59.338 -0.667 1
2 1019 . 15 1 1 A 83 83 LYS HA H 78 4.024 4.076 -0.052 1
2 1020 . 15 1 1 A 83 83 LYS CB C 78 32.057 32.085 -0.028 1
2 1026 . 15 1 1 A 83 83 LYS C C 78 177.743 178.601 -0.858 1
2 1027 . 15 1 1 A 84 84 MET N N 79 118.241 118.795 -0.554 1
2 1028 . 15 1 1 A 84 84 MET H H 79 7.748 7.978 -0.230 1
2 1029 . 15 1 1 A 84 84 MET CA C 79 57.209 57.978 -0.769 1
2 1030 . 15 1 1 A 84 84 MET HA H 79 4.170 4.320 -0.150 1
2 1031 . 15 1 1 A 84 84 MET CB C 79 32.320 33.181 -0.861 1
2 1041 . 15 1 1 A 84 84 MET C C 79 177.036 176.319 0.717 1
2 1042 . 15 1 1 A 85 85 GLN N N 80 117.242 117.583 -0.341 1
2 1043 . 15 1 1 A 85 85 GLN H H 80 7.843 8.024 -0.181 1
2 1044 . 15 1 1 A 85 85 GLN CA C 80 56.523 54.288 2.235 1
2 1045 . 15 1 1 A 85 85 GLN HA H 80 3.993 4.484 -0.491 1
2 1046 . 15 1 1 A 85 85 GLN CB C 80 28.240 28.505 -0.265 1
2 1056 . 15 1 1 A 85 85 GLN C C 80 176.690 175.515 1.175 1
2 1057 . 15 1 1 A 86 86 ILE N N 81 119.178 125.251 -6.073 1
2 1058 . 15 1 1 A 86 86 ILE H H 81 7.715 8.270 -0.555 1
2 1059 . 15 1 1 A 86 86 ILE CA C 81 62.073 65.084 -3.011 1
2 1060 . 15 1 1 A 86 86 ILE HA H 81 3.934 3.902 0.032 1
2 1061 . 15 1 1 A 86 86 ILE CB C 81 37.966 37.793 0.173 1
2 1074 . 15 1 1 A 86 86 ILE C C 81 176.673 176.107 0.566 1
2 1075 . 15 1 1 A 87 87 GLN N N 82 121.386 121.496 -0.110 1
2 1076 . 15 1 1 A 87 87 GLN H H 82 8.164 8.080 0.084 1
2 1077 . 15 1 1 A 87 87 GLN CA C 82 55.968 58.210 -2.242 1
2 1078 . 15 1 1 A 87 87 GLN HA H 82 4.214 4.135 0.079 1
2 1079 . 15 1 1 A 87 87 GLN CB C 82 28.735 28.437 0.298 1
2 1088 . 15 1 1 A 87 87 GLN C C 82 175.836 174.813 1.023 1
2 1089 . 15 1 1 A 88 88 CYS N N 83 118.663 120.741 -2.078 1
2 1090 . 15 1 1 A 88 88 CYS H H 83 8.238 7.938 0.300 1
2 1091 . 15 1 1 A 88 88 CYS CA C 83 57.997 58.249 -0.252 1
2 1092 . 15 1 1 A 88 88 CYS HA H 83 4.467 4.700 -0.233 1
2 1093 . 15 1 1 A 88 88 CYS CB C 83 27.582 28.209 -0.627 1
2 1096 . 15 1 1 A 88 88 CYS C C 83 173.432 174.185 -0.753 1
2 1097 . 15 1 1 A 89 89 ALA N N 84 127.014 120.578 6.436 1
2 1098 . 15 1 1 A 89 89 ALA H H 84 8.249 7.709 0.540 1
2 1099 . 15 1 1 A 89 89 ALA CA C 84 50.607 52.756 -2.149 1
2 1100 . 15 1 1 A 89 89 ALA HA H 84 4.544 4.055 0.489 1
2 1104 . 15 1 1 A 89 89 ALA CB C 84 17.658 17.632 0.026 1
2 1105 . 15 1 1 A 89 89 ALA C C 84 175.125 178.003 -2.878 1
2 1107 . 15 1 1 A 90 90 PRO CA C 85 62.995 63.944 -0.949 1
2 1108 . 15 1 1 A 90 90 PRO HA H 85 4.373 4.384 -0.011 1
2 1109 . 15 1 1 A 90 90 PRO CB C 85 31.692 32.139 -0.447 1
2 1117 . 15 1 1 A 90 90 PRO C C 85 176.407 176.268 0.139 1
2 1118 . 15 1 1 A 91 91 ASP N N 86 119.209 116.508 2.701 1
2 1119 . 15 1 1 A 91 91 ASP H H 86 8.429 8.138 0.291 1
2 1120 . 15 1 1 A 91 91 ASP CA C 86 53.752 54.617 -0.865 1
2 1121 . 15 1 1 A 91 91 ASP HA H 86 4.394 4.241 0.153 1
2 1122 . 15 1 1 A 91 91 ASP CB C 86 40.319 39.159 1.160 1
2 1125 . 15 1 1 A 91 91 ASP C C 86 176.101 176.110 -0.009 1
2 1126 . 15 1 1 A 92 92 LEU N N 87 122.571 120.480 2.091 1
2 1127 . 15 1 1 A 92 92 LEU H H 87 8.208 7.873 0.335 1
2 1128 . 15 1 1 A 92 92 LEU CA C 87 55.286 58.587 -3.301 1
2 1129 . 15 1 1 A 92 92 LEU HA H 87 4.204 3.866 0.338 1
2 1130 . 15 1 1 A 92 92 LEU CB C 87 41.786 41.875 -0.089 1
2 1143 . 15 1 1 A 92 92 LEU C C 87 177.406 178.042 -0.636 1
2 1144 . 15 1 1 A 93 93 ALA N N 88 123.131 119.658 3.473 1
2 1145 . 15 1 1 A 93 93 ALA H H 88 8.305 7.589 0.716 1
2 1146 . 15 1 1 A 93 93 ALA CA C 88 52.876 52.379 0.497 1
2 1147 . 15 1 1 A 93 93 ALA HA H 88 4.263 4.182 0.081 1
2 1151 . 15 1 1 A 93 93 ALA CB C 88 18.672 19.573 -0.901 1
2 1152 . 15 1 1 A 93 93 ALA C C 88 178.033 176.960 1.073 1
2 1153 . 15 1 1 A 94 94 THR N N 89 112.097 110.327 1.770 1
2 1154 . 15 1 1 A 94 94 THR H H 89 7.994 7.856 0.138 1
2 1155 . 15 1 1 A 94 94 THR CA C 89 61.640 61.651 -0.011 1
2 1156 . 15 1 1 A 94 94 THR HA H 89 4.251 3.983 0.268 1
2 1157 . 15 1 1 A 94 94 THR CB C 89 69.063 67.692 1.371 1
2 1163 . 15 1 1 A 94 94 THR C C 89 174.493 173.650 0.843 1
2 1164 . 15 1 1 A 95 95 ARG N N 90 122.704 128.187 -5.483 1
2 1165 . 15 1 1 A 95 95 ARG H H 90 8.211 8.580 -0.369 1
2 1166 . 15 1 1 A 95 95 ARG CA C 90 55.718 55.239 0.479 1
2 1167 . 15 1 1 A 95 95 ARG HA H 90 4.324 4.327 -0.003 1
2 1168 . 15 1 1 A 95 95 ARG CB C 90 30.309 28.279 2.030 1
2 1179 . 15 1 1 A 95 95 ARG C C 90 175.927 175.293 0.634 1
2 1180 . 15 1 1 A 96 96 SER N N 91 116.390 119.975 -3.585 1
2 1181 . 15 1 1 A 96 96 SER H H 91 8.365 8.338 0.027 1
2 1182 . 15 1 1 A 96 96 SER CA C 91 57.823 57.502 0.321 1
2 1183 . 15 1 1 A 96 96 SER HA H 91 4.356 4.805 -0.449 1
2 1184 . 15 1 1 A 96 96 SER CB C 91 63.214 64.455 -1.241 1
2 1187 . 15 1 1 A 96 96 SER C C 91 174.011 174.938 -0.927 1
2 1188 . 15 1 1 A 97 97 HIS N N 92 120.507 119.529 0.978 1
2 1189 . 15 1 1 A 97 97 HIS H H 92 8.541 7.918 0.623 1
2 1190 . 15 1 1 A 97 97 HIS CA C 92 54.960 56.874 -1.914 1
2 1191 . 15 1 1 A 97 97 HIS HA H 92 4.704 4.627 0.077 1
2 1192 . 15 1 1 A 97 97 HIS CB C 92 28.518 32.115 -3.597 1
2 1197 . 15 1 1 A 97 97 HIS C C 92 174.186 175.799 -1.613 1
2 1198 . 15 1 1 A 98 98 SER N N 93 116.801 110.981 5.820 1
2 1199 . 15 1 1 A 98 98 SER H H 93 8.455 7.660 0.795 1
2 1200 . 15 1 1 A 98 98 SER CA C 93 57.880 57.423 0.457 1
2 1201 . 15 1 1 A 98 98 SER HA H 93 4.445 4.628 -0.183 1
2 1202 . 15 1 1 A 98 98 SER CB C 93 63.434 63.696 -0.262 1
2 1205 . 15 1 1 A 98 98 SER C C 93 174.508 173.155 1.353 1
2 1206 . 15 1 1 A 99 99 GLY N N 94 111.114 114.968 -3.854 1
2 1207 . 15 1 1 A 99 99 GLY H H 94 8.597 8.245 0.352 1
2 1208 . 15 1 1 A 99 99 GLY CA C 94 44.888 44.939 -0.051 1
2 1209 . 15 1 1 A 99 99 GLY HA2 H 94 3.998 4.184 -0.186 1
2 1210 . 15 1 1 A 99 99 GLY HA3 H 94 3.998 4.219 -0.221 1
2 1211 . 15 1 1 A 99 99 GLY C C 94 173.856 173.577 0.279 1
2 1212 . 15 1 1 A 100 100 SER N N 95 115.398 118.757 -3.359 1
2 1213 . 15 1 1 A 100 100 SER H H 95 8.311 8.575 -0.264 1
2 1214 . 15 1 1 A 100 100 SER CA C 95 57.888 57.199 0.689 1
2 1215 . 15 1 1 A 100 100 SER HA H 95 4.408 4.744 -0.336 1
2 1216 . 15 1 1 A 100 100 SER CB C 95 63.328 64.938 -1.610 1
2 1219 . 15 1 1 A 100 100 SER C C 95 173.725 174.775 -1.050 1
2 1220 . 15 1 1 A 101 101 ASP N N 96 121.810 121.893 -0.083 1
2 1221 . 15 1 1 A 101 101 ASP H H 96 8.380 8.092 0.288 1
2 1222 . 15 1 1 A 101 101 ASP CA C 96 53.813 54.380 -0.567 1
2 1223 . 15 1 1 A 101 101 ASP HA H 96 4.536 5.024 -0.488 1
2 1224 . 15 1 1 A 101 101 ASP CB C 96 40.438 42.380 -1.942 1
2 1227 . 15 1 1 A 101 101 ASP C C 96 175.524 176.455 -0.931 1
2 1228 . 15 1 1 A 102 102 PHE N N 97 120.706 117.287 3.419 1
2 1229 . 15 1 1 A 102 102 PHE H H 97 8.249 8.051 0.198 1
2 1230 . 15 1 1 A 102 102 PHE CA C 97 57.323 58.262 -0.939 1
2 1231 . 15 1 1 A 102 102 PHE HA H 97 4.527 4.585 -0.058 1
2 1232 . 15 1 1 A 102 102 PHE CB C 97 38.989 39.458 -0.469 1
2 1238 . 15 1 1 A 102 102 PHE C C 97 175.246 175.782 -0.536 1
2 1239 . 15 1 1 A 103 103 SER N N 98 116.992 114.829 2.163 1
2 1240 . 15 1 1 A 103 103 SER H H 98 8.167 7.888 0.279 1
2 1241 . 15 1 1 A 103 103 SER CA C 98 57.883 57.689 0.194 1
2 1242 . 15 1 1 A 103 103 SER HA H 98 4.317 4.718 -0.401 1
2 1243 . 15 1 1 A 103 103 SER CB C 98 63.301 63.693 -0.392 1
2 1246 . 15 1 1 A 103 103 SER C C 98 173.244 173.079 0.165 1
2 1247 . 15 1 1 A 104 104 PHE N N 99 122.000 124.639 -2.639 1
2 1248 . 15 1 1 A 104 104 PHE H H 99 8.170 8.533 -0.363 1
2 1249 . 15 1 1 A 104 104 PHE CA C 99 57.236 56.271 0.965 1
2 1250 . 15 1 1 A 104 104 PHE HA H 99 4.529 4.639 -0.110 1
2 1251 . 15 1 1 A 104 104 PHE CB C 99 38.997 37.944 1.053 1
2 1257 . 15 1 1 A 104 104 PHE C C 99 174.632 174.953 -0.321 1
2 1258 . 15 1 1 A 105 105 ARG N N 100 124.796 126.604 -1.808 1
2 1259 . 15 1 1 A 105 105 ARG H H 100 8.101 8.281 -0.180 1
2 1260 . 15 1 1 A 105 105 ARG CA C 100 52.969 54.964 -1.995 1
2 1261 . 15 1 1 A 105 105 ARG HA H 100 4.516 4.472 0.044 1
2 1262 . 15 1 1 A 105 105 ARG CB C 100 30.069 29.737 0.332 1
2 1271 . 15 1 1 A 105 105 ARG C C 100 172.924 174.570 -1.646 1
2 1273 . 15 1 1 A 106 106 PRO CA C 101 62.673 62.505 0.168 1
2 1274 . 15 1 1 A 106 106 PRO HA H 101 4.351 4.753 -0.402 1
2 1275 . 15 1 1 A 106 106 PRO CB C 101 31.726 33.423 -1.697 1
2 1283 . 15 1 1 A 106 106 PRO C C 101 176.395 176.627 -0.232 1
2 1284 . 15 1 1 A 107 107 ILE N N 102 121.380 120.774 0.606 1
2 1285 . 15 1 1 A 107 107 ILE H H 102 8.350 8.721 -0.371 1
2 1286 . 15 1 1 A 107 107 ILE CA C 102 60.940 60.565 0.375 1
2 1287 . 15 1 1 A 107 107 ILE HA H 102 4.039 4.627 -0.588 1
2 1288 . 15 1 1 A 107 107 ILE CB C 102 38.204 38.534 -0.330 1
2 1301 . 15 1 1 A 107 107 ILE C C 102 175.990 175.385 0.605 1
2 1302 . 15 1 1 A 108 108 GLU N N 103 124.836 118.273 6.563 1
2 1303 . 15 1 1 A 108 108 GLU H H 103 8.578 8.094 0.484 1
2 1304 . 15 1 1 A 108 108 GLU CA C 103 55.883 57.566 -1.683 1
2 1305 . 15 1 1 A 108 108 GLU HA H 103 4.280 3.925 0.355 1
2 1306 . 15 1 1 A 108 108 GLU CB C 103 29.902 27.504 2.398 1
2 1312 . 15 1 1 A 108 108 GLU C C 103 175.670 175.154 0.516 1
2 1313 . 15 1 1 A 109 109 GLU N N 104 122.847 119.138 3.709 1
2 1314 . 15 1 1 A 109 109 GLU H H 104 8.459 7.903 0.556 1
2 1315 . 15 1 1 A 109 109 GLU CA C 104 55.902 55.813 0.089 1
2 1316 . 15 1 1 A 109 109 GLU HA H 104 4.267 4.293 -0.026 1
2 1317 . 15 1 1 A 109 109 GLU CB C 104 29.985 28.956 1.029 1
2 1322 . 15 1 1 A 109 109 GLU C C 104 174.661 176.626 -1.965 1
2 3 . 16 1 1 A 2 2 SER N N -4 115.528 114.060 1.468 1
2 4 . 16 1 1 A 2 2 SER H H -4 8.751 7.762 0.989 1
2 5 . 16 1 1 A 2 2 SER CA C -4 57.687 56.872 0.815 1
2 6 . 16 1 1 A 2 2 SER HA H -4 4.451 4.402 0.049 1
2 7 . 16 1 1 A 2 2 SER CB C -4 63.389 64.093 -0.704 1
2 8 . 16 1 1 A 2 2 SER C C -4 173.913 173.632 0.281 1
2 9 . 16 1 1 A 3 3 HIS N N -3 120.998 116.084 4.914 1
2 10 . 16 1 1 A 3 3 HIS H H -3 8.769 8.246 0.523 1
2 11 . 16 1 1 A 3 3 HIS CA C -3 55.010 56.560 -1.550 1
2 12 . 16 1 1 A 3 3 HIS HA H -3 4.707 4.279 0.428 1
2 13 . 16 1 1 A 3 3 HIS CB C -3 28.916 28.386 0.530 1
2 16 . 16 1 1 A 3 3 HIS C C -3 174.207 174.657 -0.450 1
2 17 . 16 1 1 A 4 4 MET N N -2 122.227 113.840 8.387 1
2 18 . 16 1 1 A 4 4 MET H H -2 8.518 8.545 -0.027 1
2 19 . 16 1 1 A 4 4 MET CA C -2 55.014 56.491 -1.477 1
2 20 . 16 1 1 A 4 4 MET HA H -2 4.418 4.057 0.361 1
2 21 . 16 1 1 A 4 4 MET CB C -2 32.678 31.234 1.444 1
2 31 . 16 1 1 A 4 4 MET C C -2 175.481 176.267 -0.786 1
2 49 . 16 1 1 A 7 7 ALA N N 2 124.549 122.313 2.236 1
2 50 . 16 1 1 A 7 7 ALA H H 2 8.453 7.905 0.548 1
2 51 . 16 1 1 A 7 7 ALA CA C 2 53.221 54.897 -1.676 1
2 52 . 16 1 1 A 7 7 ALA HA H 2 4.194 4.109 0.085 1
2 56 . 16 1 1 A 7 7 ALA CB C 2 18.431 18.291 0.140 1
2 57 . 16 1 1 A 7 7 ALA C C 2 178.162 179.183 -1.021 1
2 58 . 16 1 1 A 8 8 ASP N N 3 118.618 118.139 0.479 1
2 59 . 16 1 1 A 8 8 ASP H H 3 8.064 7.869 0.195 1
2 60 . 16 1 1 A 8 8 ASP CA C 3 54.124 56.783 -2.659 1
2 61 . 16 1 1 A 8 8 ASP HA H 3 4.539 4.355 0.184 1
2 62 . 16 1 1 A 8 8 ASP CB C 3 40.341 40.916 -0.575 1
2 65 . 16 1 1 A 8 8 ASP C C 3 176.694 178.409 -1.715 1
2 66 . 16 1 1 A 9 9 LEU N N 4 123.427 120.519 2.908 1
2 67 . 16 1 1 A 9 9 LEU H H 4 8.202 7.718 0.484 1
2 68 . 16 1 1 A 9 9 LEU CA C 4 57.495 57.925 -0.430 1
2 69 . 16 1 1 A 9 9 LEU HA H 4 4.086 4.025 0.061 1
2 70 . 16 1 1 A 9 9 LEU CB C 4 41.905 41.654 0.251 1
2 82 . 16 1 1 A 9 9 LEU C C 4 178.839 178.669 0.170 1
2 83 . 16 1 1 A 10 10 VAL N N 5 119.385 119.313 0.072 1
2 84 . 16 1 1 A 10 10 VAL H H 5 8.186 8.296 -0.110 1
2 85 . 16 1 1 A 10 10 VAL CA C 5 66.585 66.541 0.044 1
2 86 . 16 1 1 A 10 10 VAL HA H 5 3.420 3.497 -0.077 1
2 87 . 16 1 1 A 10 10 VAL CB C 5 31.177 31.547 -0.370 1
2 97 . 16 1 1 A 10 10 VAL C C 5 177.439 178.190 -0.751 1
2 98 . 16 1 1 A 11 11 SER N N 6 115.027 115.643 -0.616 1
2 99 . 16 1 1 A 11 11 SER H H 6 8.252 8.028 0.224 1
2 100 . 16 1 1 A 11 11 SER CA C 6 61.152 61.577 -0.425 1
2 101 . 16 1 1 A 11 11 SER HA H 6 4.055 4.009 0.046 1
2 102 . 16 1 1 A 11 11 SER CB C 6 62.161 62.902 -0.741 1
2 105 . 16 1 1 A 11 11 SER C C 6 176.036 177.118 -1.082 1
2 106 . 16 1 1 A 12 12 SER N N 7 115.144 114.859 0.285 1
2 107 . 16 1 1 A 12 12 SER H H 7 8.053 7.904 0.149 1
2 108 . 16 1 1 A 12 12 SER CA C 7 60.168 61.577 -1.409 1
2 109 . 16 1 1 A 12 12 SER HA H 7 4.284 4.048 0.236 1
2 110 . 16 1 1 A 12 12 SER CB C 7 62.706 62.750 -0.044 1
2 113 . 16 1 1 A 12 12 SER C C 7 176.540 177.188 -0.648 1
2 114 . 16 1 1 A 13 13 CYS N N 8 118.211 119.187 -0.976 1
2 115 . 16 1 1 A 13 13 CYS H H 8 7.919 8.448 -0.529 1
2 116 . 16 1 1 A 13 13 CYS CA C 8 63.651 63.987 -0.336 1
2 117 . 16 1 1 A 13 13 CYS HA H 8 4.026 4.054 -0.028 1
2 118 . 16 1 1 A 13 13 CYS CB C 8 26.641 26.794 -0.153 1
2 121 . 16 1 1 A 13 13 CYS C C 8 175.645 177.080 -1.435 1
2 122 . 16 1 1 A 14 14 LYS N N 9 120.074 121.216 -1.142 1
2 123 . 16 1 1 A 14 14 LYS H H 9 8.632 8.156 0.476 1
2 124 . 16 1 1 A 14 14 LYS CA C 9 60.441 59.503 0.938 1
2 125 . 16 1 1 A 14 14 LYS HA H 9 3.672 4.005 -0.333 1
2 126 . 16 1 1 A 14 14 LYS CB C 9 31.685 32.042 -0.357 1
2 138 . 16 1 1 A 14 14 LYS C C 9 177.615 178.030 -0.415 1
2 139 . 16 1 1 A 15 15 ASP N N 10 117.613 119.388 -1.775 1
2 140 . 16 1 1 A 15 15 ASP H H 10 7.732 8.069 -0.337 1
2 141 . 16 1 1 A 15 15 ASP CA C 10 56.175 57.464 -1.289 1
2 142 . 16 1 1 A 15 15 ASP HA H 10 4.307 4.193 0.114 1
2 143 . 16 1 1 A 15 15 ASP CB C 10 40.056 41.831 -1.775 1
2 146 . 16 1 1 A 15 15 ASP C C 10 177.650 178.505 -0.855 1
2 147 . 16 1 1 A 16 16 LYS N N 11 117.878 119.261 -1.383 1
2 148 . 16 1 1 A 16 16 LYS H H 11 7.254 7.800 -0.546 1
2 149 . 16 1 1 A 16 16 LYS CA C 11 58.962 58.673 0.289 1
2 150 . 16 1 1 A 16 16 LYS HA H 11 3.645 3.352 0.293 1
2 151 . 16 1 1 A 16 16 LYS CB C 11 32.951 31.923 1.028 1
2 160 . 16 1 1 A 16 16 LYS C C 11 177.263 178.018 -0.755 1
2 161 . 16 1 1 A 17 17 LEU N N 12 115.652 121.576 -5.924 1
2 162 . 16 1 1 A 17 17 LEU H H 12 8.138 8.297 -0.159 1
2 163 . 16 1 1 A 17 17 LEU CA C 12 56.726 57.981 -1.255 1
2 164 . 16 1 1 A 17 17 LEU HA H 12 3.579 4.160 -0.581 1
2 165 . 16 1 1 A 17 17 LEU CB C 12 41.959 41.346 0.613 1
2 176 . 16 1 1 A 17 17 LEU C C 12 177.485 178.465 -0.980 1
2 177 . 16 1 1 A 18 18 ALA N N 13 116.044 120.840 -4.796 1
2 178 . 16 1 1 A 18 18 ALA H H 13 7.080 8.491 -1.411 1
2 179 . 16 1 1 A 18 18 ALA CA C 13 53.389 54.687 -1.298 1
2 180 . 16 1 1 A 18 18 ALA HA H 13 3.963 4.066 -0.103 1
2 184 . 16 1 1 A 18 18 ALA CB C 13 18.161 18.444 -0.283 1
2 185 . 16 1 1 A 18 18 ALA C C 13 178.207 179.634 -1.427 1
2 186 . 16 1 1 A 19 19 TYR N N 14 115.556 119.094 -3.538 1
2 187 . 16 1 1 A 19 19 TYR H H 14 7.675 7.504 0.171 1
2 188 . 16 1 1 A 19 19 TYR CA C 14 58.647 59.662 -1.015 1
2 189 . 16 1 1 A 19 19 TYR HA H 14 4.304 4.153 0.151 1
2 190 . 16 1 1 A 19 19 TYR CB C 14 38.609 39.068 -0.459 1
2 199 . 16 1 1 A 19 19 TYR C C 14 175.911 175.804 0.107 1
2 200 . 16 1 1 A 20 20 PHE N N 15 118.275 119.543 -1.268 1
2 201 . 16 1 1 A 20 20 PHE H H 15 7.406 7.598 -0.192 1
2 202 . 16 1 1 A 20 20 PHE CA C 15 56.615 56.965 -0.350 1
2 203 . 16 1 1 A 20 20 PHE HA H 15 4.649 4.890 -0.241 1
2 204 . 16 1 1 A 20 20 PHE CB C 15 38.750 40.917 -2.167 1
2 215 . 16 1 1 A 20 20 PHE C C 15 176.160 175.740 0.420 1
2 216 . 16 1 1 A 21 21 ARG N N 16 119.140 121.949 -2.809 1
2 217 . 16 1 1 A 21 21 ARG H H 16 8.714 8.740 -0.026 1
2 218 . 16 1 1 A 21 21 ARG CA C 16 54.349 56.254 -1.905 1
2 219 . 16 1 1 A 21 21 ARG HA H 16 4.751 4.331 0.420 1
2 220 . 16 1 1 A 21 21 ARG CB C 16 30.097 31.225 -1.128 1
2 236 . 16 1 1 A 21 21 ARG C C 16 177.095 177.761 -0.666 1
2 237 . 16 1 1 A 22 22 ILE N N 17 120.734 121.908 -1.174 1
2 238 . 16 1 1 A 22 22 ILE H H 17 8.708 8.795 -0.087 1
2 239 . 16 1 1 A 22 22 ILE CA C 17 65.145 64.836 0.309 1
2 240 . 16 1 1 A 22 22 ILE HA H 17 3.720 3.710 0.010 1
2 241 . 16 1 1 A 22 22 ILE CB C 17 36.857 37.675 -0.818 1
2 254 . 16 1 1 A 22 22 ILE C C 17 176.745 177.698 -0.953 1
2 255 . 16 1 1 A 23 23 LYS N N 18 118.184 121.940 -3.756 1
2 256 . 16 1 1 A 23 23 LYS H H 18 8.267 8.171 0.096 1
2 257 . 16 1 1 A 23 23 LYS CA C 18 59.829 59.692 0.137 1
2 258 . 16 1 1 A 23 23 LYS HA H 18 3.897 3.912 -0.015 1
2 259 . 16 1 1 A 23 23 LYS CB C 18 32.268 32.456 -0.188 1
2 271 . 16 1 1 A 23 23 LYS C C 18 178.159 178.821 -0.662 1
2 272 . 16 1 1 A 24 24 GLU N N 19 117.654 118.914 -1.260 1
2 273 . 16 1 1 A 24 24 GLU H H 19 7.198 7.981 -0.783 1
2 274 . 16 1 1 A 24 24 GLU CA C 19 60.612 59.267 1.345 1
2 275 . 16 1 1 A 24 24 GLU HA H 19 4.030 4.069 -0.039 1
2 276 . 16 1 1 A 24 24 GLU CB C 19 28.859 29.574 -0.715 1
2 282 . 16 1 1 A 24 24 GLU C C 19 178.521 179.332 -0.811 1
2 283 . 16 1 1 A 25 25 LEU N N 20 119.236 120.206 -0.970 1
2 284 . 16 1 1 A 25 25 LEU H H 20 7.980 8.325 -0.345 1
2 285 . 16 1 1 A 25 25 LEU CA C 20 57.676 58.073 -0.397 1
2 286 . 16 1 1 A 25 25 LEU HA H 20 3.904 4.026 -0.122 1
2 287 . 16 1 1 A 25 25 LEU CB C 20 42.218 41.311 0.907 1
2 294 . 16 1 1 A 25 25 LEU C C 20 177.990 179.049 -1.059 1
2 295 . 16 1 1 A 26 26 LYS N N 21 117.457 120.747 -3.290 1
2 296 . 16 1 1 A 26 26 LYS H H 21 8.770 8.364 0.406 1
2 297 . 16 1 1 A 26 26 LYS CA C 21 60.660 60.015 0.645 1
2 298 . 16 1 1 A 26 26 LYS HA H 21 3.787 3.944 -0.157 1
2 299 . 16 1 1 A 26 26 LYS CB C 21 31.876 32.216 -0.340 1
2 300 . 16 1 1 A 26 26 LYS C C 21 177.625 178.711 -1.086 1
2 301 . 16 1 1 A 27 27 ASP N N 22 119.023 119.735 -0.712 1
2 302 . 16 1 1 A 27 27 ASP H H 22 7.671 8.029 -0.358 1
2 303 . 16 1 1 A 27 27 ASP CA C 22 56.974 57.119 -0.145 1
2 304 . 16 1 1 A 27 27 ASP HA H 22 4.392 4.475 -0.083 1
2 305 . 16 1 1 A 27 27 ASP CB C 22 40.250 40.724 -0.474 1
2 308 . 16 1 1 A 27 27 ASP C C 22 180.796 178.957 1.839 1
2 309 . 16 1 1 A 28 28 ILE N N 23 119.318 120.091 -0.773 1
2 310 . 16 1 1 A 28 28 ILE H H 23 8.039 7.789 0.250 1
2 311 . 16 1 1 A 28 28 ILE CA C 23 65.365 65.554 -0.189 1
2 312 . 16 1 1 A 28 28 ILE HA H 23 3.587 3.663 -0.076 1
2 313 . 16 1 1 A 28 28 ILE CB C 23 37.408 38.186 -0.778 1
2 326 . 16 1 1 A 28 28 ILE C C 23 177.265 178.333 -1.068 1
2 327 . 16 1 1 A 29 29 LEU N N 24 120.356 121.413 -1.057 1
2 328 . 16 1 1 A 29 29 LEU H H 24 8.220 8.620 -0.400 1
2 329 . 16 1 1 A 29 29 LEU CA C 24 58.562 58.237 0.325 1
2 330 . 16 1 1 A 29 29 LEU HA H 24 3.806 4.033 -0.227 1
2 331 . 16 1 1 A 29 29 LEU CB C 24 39.477 41.411 -1.934 1
2 339 . 16 1 1 A 29 29 LEU C C 24 178.572 178.324 0.248 1
2 340 . 16 1 1 A 30 30 ASN N N 25 117.446 117.174 0.272 1
2 341 . 16 1 1 A 30 30 ASN H H 25 8.688 8.402 0.286 1
2 342 . 16 1 1 A 30 30 ASN CA C 25 56.092 56.978 -0.886 1
2 343 . 16 1 1 A 30 30 ASN HA H 25 4.493 4.385 0.108 1
2 344 . 16 1 1 A 30 30 ASN CB C 25 38.809 39.060 -0.251 1
2 351 . 16 1 1 A 30 30 ASN C C 25 178.884 177.976 0.908 1
2 352 . 16 1 1 A 31 31 GLN N N 26 119.946 117.930 2.016 1
2 353 . 16 1 1 A 31 31 GLN H H 26 8.184 7.758 0.426 1
2 354 . 16 1 1 A 31 31 GLN CA C 26 58.786 58.413 0.373 1
2 355 . 16 1 1 A 31 31 GLN HA H 26 4.041 4.123 -0.082 1
2 356 . 16 1 1 A 31 31 GLN CB C 26 29.089 28.364 0.725 1
2 366 . 16 1 1 A 31 31 GLN C C 26 177.656 178.912 -1.256 1
2 367 . 16 1 1 A 32 32 LEU N N 27 116.979 119.063 -2.084 1
2 368 . 16 1 1 A 32 32 LEU H H 27 7.893 7.845 0.048 1
2 369 . 16 1 1 A 32 32 LEU CA C 27 54.545 55.503 -0.958 1
2 370 . 16 1 1 A 32 32 LEU HA H 27 4.227 4.423 -0.196 1
2 371 . 16 1 1 A 32 32 LEU CB C 27 42.063 42.879 -0.816 1
2 382 . 16 1 1 A 32 32 LEU C C 27 175.733 176.863 -1.130 1
2 383 . 16 1 1 A 33 33 GLY N N 28 108.299 107.852 0.447 1
2 384 . 16 1 1 A 33 33 GLY H H 28 7.834 7.456 0.378 1
2 385 . 16 1 1 A 33 33 GLY CA C 28 45.707 44.968 0.739 1
2 386 . 16 1 1 A 33 33 GLY HA2 H 28 3.952 4.017 -0.065 1
2 387 . 16 1 1 A 33 33 GLY HA3 H 28 3.952 4.017 -0.065 1
2 388 . 16 1 1 A 33 33 GLY C C 28 174.317 174.878 -0.561 1
2 389 . 16 1 1 A 34 34 LEU N N 29 120.833 119.516 1.317 1
2 390 . 16 1 1 A 34 34 LEU H H 29 7.986 8.594 -0.608 1
2 391 . 16 1 1 A 34 34 LEU CA C 29 51.558 55.479 -3.921 1
2 392 . 16 1 1 A 34 34 LEU HA H 29 4.744 4.230 0.514 1
2 393 . 16 1 1 A 34 34 LEU CB C 29 43.525 39.639 3.886 1
2 405 . 16 1 1 A 35 35 PRO CA C 30 62.707 62.341 0.366 1
2 406 . 16 1 1 A 35 35 PRO HA H 30 4.351 4.514 -0.163 1
2 407 . 16 1 1 A 35 35 PRO CB C 30 31.919 32.778 -0.859 1
2 415 . 16 1 1 A 35 35 PRO C C 30 177.488 177.862 -0.374 1
2 416 . 16 1 1 A 36 36 LYS N N 31 117.590 120.689 -3.099 1
2 417 . 16 1 1 A 36 36 LYS H H 31 8.380 8.554 -0.174 1
2 418 . 16 1 1 A 36 36 LYS CA C 31 55.660 58.715 -3.055 1
2 419 . 16 1 1 A 36 36 LYS HA H 31 4.286 4.093 0.193 1
2 420 . 16 1 1 A 36 36 LYS CB C 31 33.239 32.088 1.151 1
2 430 . 16 1 1 A 36 36 LYS C C 31 174.384 176.290 -1.906 1
2 431 . 16 1 1 A 37 37 GLN N N 32 118.260 115.785 2.475 1
2 432 . 16 1 1 A 37 37 GLN H H 32 7.698 7.622 0.076 1
2 433 . 16 1 1 A 37 37 GLN CA C 32 55.550 54.659 0.891 1
2 434 . 16 1 1 A 37 37 GLN HA H 32 4.376 4.599 -0.223 1
2 435 . 16 1 1 A 37 37 GLN CB C 32 28.221 30.482 -2.261 1
2 445 . 16 1 1 A 37 37 GLN C C 32 175.222 174.030 1.192 1
2 446 . 16 1 1 A 38 38 GLY N N 33 109.855 106.753 3.102 1
2 447 . 16 1 1 A 38 38 GLY H H 33 8.449 8.469 -0.020 1
2 448 . 16 1 1 A 38 38 GLY CA C 33 43.235 45.579 -2.344 1
2 449 . 16 1 1 A 38 38 GLY HA2 H 33 4.566 4.154 0.412 1
2 450 . 16 1 1 A 38 38 GLY HA3 H 33 3.789 4.156 -0.367 1
2 451 . 16 1 1 A 38 38 GLY C C 33 173.603 172.979 0.624 1
2 452 . 16 1 1 A 39 39 LYS N N 34 117.627 123.875 -6.248 1
2 453 . 16 1 1 A 39 39 LYS H H 34 8.649 8.448 0.201 1
2 454 . 16 1 1 A 39 39 LYS CA C 34 54.563 55.428 -0.865 1
2 455 . 16 1 1 A 39 39 LYS HA H 34 4.394 4.466 -0.072 1
2 456 . 16 1 1 A 39 39 LYS CB C 34 32.892 33.183 -0.291 1
2 468 . 16 1 1 A 39 39 LYS C C 34 176.803 177.472 -0.669 1
2 469 . 16 1 1 A 40 40 LYS N N 35 121.705 119.353 2.352 1
2 470 . 16 1 1 A 40 40 LYS H H 35 8.920 8.783 0.137 1
2 471 . 16 1 1 A 40 40 LYS CA C 35 61.559 60.435 1.124 1
2 472 . 16 1 1 A 40 40 LYS HA H 35 3.597 3.911 -0.314 1
2 473 . 16 1 1 A 40 40 LYS CB C 35 31.953 32.105 -0.152 1
2 485 . 16 1 1 A 40 40 LYS C C 35 177.362 178.850 -1.488 1
2 486 . 16 1 1 A 41 41 GLN N N 36 114.637 119.522 -4.885 1
2 487 . 16 1 1 A 41 41 GLN H H 36 9.017 7.899 1.118 1
2 488 . 16 1 1 A 41 41 GLN CA C 36 57.638 59.151 -1.513 1
2 489 . 16 1 1 A 41 41 GLN HA H 36 3.719 3.990 -0.271 1
2 490 . 16 1 1 A 41 41 GLN CB C 36 27.865 28.383 -0.518 1
2 500 . 16 1 1 A 41 41 GLN C C 36 176.975 177.889 -0.914 1
2 501 . 16 1 1 A 42 42 ASP N N 37 115.984 120.038 -4.054 1
2 502 . 16 1 1 A 42 42 ASP H H 37 7.049 8.214 -1.165 1
2 503 . 16 1 1 A 42 42 ASP CA C 37 56.424 57.435 -1.011 1
2 504 . 16 1 1 A 42 42 ASP HA H 37 4.303 4.293 0.010 1
2 505 . 16 1 1 A 42 42 ASP CB C 37 39.955 40.553 -0.598 1
2 508 . 16 1 1 A 42 42 ASP C C 37 178.454 178.979 -0.525 1
2 509 . 16 1 1 A 43 43 LEU N N 38 119.074 120.566 -1.492 1
2 510 . 16 1 1 A 43 43 LEU H H 38 7.725 8.492 -0.767 1
2 511 . 16 1 1 A 43 43 LEU CA C 38 57.716 57.977 -0.261 1
2 512 . 16 1 1 A 43 43 LEU HA H 38 3.794 3.994 -0.200 1
2 513 . 16 1 1 A 43 43 LEU CB C 38 40.211 42.297 -2.086 1
2 526 . 16 1 1 A 43 43 LEU C C 38 177.872 179.000 -1.128 1
2 527 . 16 1 1 A 44 44 ILE N N 39 118.343 118.898 -0.555 1
2 528 . 16 1 1 A 44 44 ILE H H 39 7.867 8.068 -0.201 1
2 529 . 16 1 1 A 44 44 ILE CA C 39 66.211 65.530 0.681 1
2 530 . 16 1 1 A 44 44 ILE HA H 39 3.319 3.521 -0.202 1
2 531 . 16 1 1 A 44 44 ILE CB C 39 37.985 37.741 0.244 1
2 541 . 16 1 1 A 44 44 ILE C C 39 177.711 177.904 -0.193 1
2 542 . 16 1 1 A 45 45 ASP N N 40 118.535 120.210 -1.675 1
2 543 . 16 1 1 A 45 45 ASP H H 40 8.503 8.464 0.039 1
2 544 . 16 1 1 A 45 45 ASP CA C 40 56.817 57.470 -0.653 1
2 545 . 16 1 1 A 45 45 ASP HA H 40 4.256 4.416 -0.160 1
2 546 . 16 1 1 A 45 45 ASP CB C 40 39.815 40.207 -0.392 1
2 549 . 16 1 1 A 45 45 ASP C C 40 178.464 179.214 -0.750 1
2 550 . 16 1 1 A 46 46 ARG N N 41 120.910 120.281 0.629 1
2 551 . 16 1 1 A 46 46 ARG H H 41 7.717 7.817 -0.100 1
2 552 . 16 1 1 A 46 46 ARG CA C 41 59.054 59.640 -0.586 1
2 553 . 16 1 1 A 46 46 ARG HA H 41 3.993 4.053 -0.060 1
2 554 . 16 1 1 A 46 46 ARG CB C 41 29.778 30.730 -0.952 1
2 563 . 16 1 1 A 46 46 ARG C C 41 177.565 178.636 -1.071 1
2 564 . 16 1 1 A 47 47 VAL N N 42 117.438 119.820 -2.382 1
2 565 . 16 1 1 A 47 47 VAL H H 42 7.445 8.390 -0.945 1
2 566 . 16 1 1 A 47 47 VAL CA C 42 66.095 66.323 -0.228 1
2 567 . 16 1 1 A 47 47 VAL HA H 42 3.446 3.665 -0.219 1
2 568 . 16 1 1 A 47 47 VAL CB C 42 31.113 31.669 -0.556 1
2 578 . 16 1 1 A 47 47 VAL C C 42 177.710 178.026 -0.316 1
2 579 . 16 1 1 A 48 48 LEU N N 43 117.085 117.737 -0.652 1
2 580 . 16 1 1 A 48 48 LEU H H 43 8.466 8.118 0.348 1
2 581 . 16 1 1 A 48 48 LEU CA C 43 57.406 57.795 -0.389 1
2 582 . 16 1 1 A 48 48 LEU HA H 43 3.851 3.977 -0.126 1
2 583 . 16 1 1 A 48 48 LEU CB C 43 40.779 41.190 -0.411 1
2 596 . 16 1 1 A 48 48 LEU C C 43 179.581 179.495 0.086 1
2 597 . 16 1 1 A 49 49 ALA N N 44 120.480 122.048 -1.568 1
2 598 . 16 1 1 A 49 49 ALA H H 44 7.952 7.938 0.014 1
2 599 . 16 1 1 A 49 49 ALA CA C 44 53.998 54.612 -0.614 1
2 600 . 16 1 1 A 49 49 ALA HA H 44 4.104 4.121 -0.017 1
2 604 . 16 1 1 A 49 49 ALA CB C 44 17.685 18.201 -0.516 1
2 605 . 16 1 1 A 49 49 ALA C C 44 178.926 179.466 -0.540 1
2 606 . 16 1 1 A 50 50 LEU N N 45 115.306 120.415 -5.109 1
2 607 . 16 1 1 A 50 50 LEU H H 45 7.428 7.771 -0.343 1
2 608 . 16 1 1 A 50 50 LEU CA C 45 55.650 57.639 -1.989 1
2 609 . 16 1 1 A 50 50 LEU HA H 45 4.206 4.121 0.085 1
2 610 . 16 1 1 A 50 50 LEU CB C 45 41.937 41.834 0.103 1
2 623 . 16 1 1 A 50 50 LEU C C 45 177.840 178.743 -0.903 1
2 624 . 16 1 1 A 51 51 LEU N N 46 115.880 118.653 -2.773 1
2 625 . 16 1 1 A 51 51 LEU H H 46 7.642 8.009 -0.367 1
2 626 . 16 1 1 A 51 51 LEU CA C 46 54.861 56.435 -1.574 1
2 627 . 16 1 1 A 51 51 LEU HA H 46 4.260 4.172 0.088 1
2 628 . 16 1 1 A 51 51 LEU CB C 46 42.228 41.858 0.370 1
2 638 . 16 1 1 A 51 51 LEU C C 46 176.015 177.626 -1.611 1
2 639 . 16 1 1 A 52 52 THR N N 47 109.201 112.882 -3.681 1
2 640 . 16 1 1 A 52 52 THR H H 47 7.515 7.488 0.027 1
2 641 . 16 1 1 A 52 52 THR CA C 47 60.972 64.599 -3.627 1
2 642 . 16 1 1 A 52 52 THR HA H 47 4.345 4.282 0.063 1
2 643 . 16 1 1 A 52 52 THR CB C 47 69.620 69.397 0.223 1
2 649 . 16 1 1 A 52 52 THR C C 47 173.733 175.421 -1.688 1
2 650 . 16 1 1 A 53 53 ASP N N 48 122.188 119.257 2.931 1
2 651 . 16 1 1 A 53 53 ASP H H 48 8.280 8.223 0.057 1
2 652 . 16 1 1 A 53 53 ASP CA C 48 54.205 56.262 -2.057 1
2 653 . 16 1 1 A 53 53 ASP HA H 48 4.686 4.567 0.119 1
2 654 . 16 1 1 A 53 53 ASP CB C 48 40.766 40.369 0.397 1
2 658 . 16 1 1 A 53 53 ASP C C 48 176.000 176.781 -0.781 1
2 659 . 16 1 1 A 54 54 GLU N N 49 121.966 118.865 3.101 1
2 660 . 16 1 1 A 54 54 GLU H H 49 8.589 7.783 0.806 1
2 661 . 16 1 1 A 54 54 GLU CA C 49 56.448 55.539 0.909 1
2 662 . 16 1 1 A 54 54 GLU HA H 49 4.234 4.778 -0.544 1
2 663 . 16 1 1 A 54 54 GLU CB C 49 29.642 30.859 -1.217 1
2 669 . 16 1 1 A 54 54 GLU C C 49 176.522 176.737 -0.215 1
2 670 . 16 1 1 A 55 55 GLN N N 50 120.727 118.807 1.920 1
2 671 . 16 1 1 A 55 55 GLN H H 50 8.642 7.835 0.807 1
2 672 . 16 1 1 A 55 55 GLN CA C 50 56.251 55.444 0.807 1
2 673 . 16 1 1 A 55 55 GLN HA H 50 4.217 4.139 0.078 1
2 674 . 16 1 1 A 55 55 GLN CB C 50 28.555 28.938 -0.383 1
2 684 . 16 1 1 A 55 55 GLN C C 50 176.519 176.820 -0.301 1
2 685 . 16 1 1 A 56 56 GLY N N 51 109.357 109.282 0.075 1
2 686 . 16 1 1 A 56 56 GLY H H 51 8.519 7.932 0.587 1
2 687 . 16 1 1 A 56 56 GLY CA C 51 45.276 46.563 -1.287 1
2 688 . 16 1 1 A 56 56 GLY HA2 H 51 3.950 3.426 0.524 1
2 689 . 16 1 1 A 56 56 GLY HA3 H 51 3.809 3.665 0.144 1
2 690 . 16 1 1 A 56 56 GLY C C 51 174.146 174.853 -0.707 1
2 691 . 16 1 1 A 57 57 GLN N N 52 119.207 118.766 0.441 1
2 692 . 16 1 1 A 57 57 GLN H H 52 8.263 7.956 0.307 1
2 693 . 16 1 1 A 57 57 GLN CA C 52 55.572 54.483 1.089 1
2 694 . 16 1 1 A 57 57 GLN HA H 52 4.203 4.517 -0.314 1
2 695 . 16 1 1 A 57 57 GLN CB C 52 28.656 29.838 -1.182 1
2 705 . 16 1 1 A 57 57 GLN C C 52 175.872 175.949 -0.077 1
2 706 . 16 1 1 A 58 58 ARG N N 53 120.525 119.053 1.472 1
2 707 . 16 1 1 A 58 58 ARG H H 53 8.279 7.783 0.496 1
2 708 . 16 1 1 A 58 58 ARG CA C 53 55.883 56.631 -0.748 1
2 709 . 16 1 1 A 58 58 ARG HA H 53 4.176 4.552 -0.376 1
2 710 . 16 1 1 A 58 58 ARG CB C 53 30.031 33.410 -3.379 1
2 721 . 16 1 1 A 58 58 ARG C C 53 175.820 176.127 -0.307 1
2 722 . 16 1 1 A 59 59 HIS N N 54 118.905 116.183 2.722 1
2 723 . 16 1 1 A 59 59 HIS H H 54 8.398 7.583 0.815 1
2 724 . 16 1 1 A 59 59 HIS CA C 54 54.908 56.541 -1.633 1
2 725 . 16 1 1 A 59 59 HIS HA H 54 4.548 4.866 -0.318 1
2 726 . 16 1 1 A 59 59 HIS CB C 54 28.953 32.800 -3.847 1
2 729 . 16 1 1 A 59 59 HIS C C 54 174.136 175.445 -1.309 1
2 730 . 16 1 1 A 60 60 HIS N N 55 119.527 113.423 6.104 1
2 731 . 16 1 1 A 60 60 HIS H H 55 8.493 7.877 0.616 1
2 732 . 16 1 1 A 60 60 HIS CA C 55 55.274 54.221 1.053 1
2 733 . 16 1 1 A 60 60 HIS HA H 55 4.552 4.042 0.510 1
2 734 . 16 1 1 A 60 60 HIS CB C 55 28.913 29.235 -0.322 1
2 737 . 16 1 1 A 60 60 HIS C C 55 174.595 174.585 0.010 1
2 738 . 16 1 1 A 61 61 GLY N N 56 110.215 107.870 2.345 1
2 739 . 16 1 1 A 61 61 GLY H H 56 8.604 8.191 0.413 1
2 740 . 16 1 1 A 61 61 GLY CA C 56 44.977 46.176 -1.199 1
2 741 . 16 1 1 A 61 61 GLY HA2 H 56 3.956 3.601 0.355 1
2 742 . 16 1 1 A 61 61 GLY HA3 H 56 3.831 3.718 0.113 1
2 743 . 16 1 1 A 61 61 GLY C C 56 173.752 174.641 -0.889 1
2 744 . 16 1 1 A 62 62 TRP N N 57 120.700 121.603 -0.903 1
2 745 . 16 1 1 A 62 62 TRP H H 57 8.175 7.284 0.891 1
2 746 . 16 1 1 A 62 62 TRP CA C 57 56.929 57.578 -0.649 1
2 747 . 16 1 1 A 62 62 TRP HA H 57 4.663 4.851 -0.188 1
2 748 . 16 1 1 A 62 62 TRP CB C 57 29.142 31.131 -1.989 1
2 763 . 16 1 1 A 62 62 TRP C C 57 176.442 177.123 -0.681 1
2 764 . 16 1 1 A 63 63 GLY N N 58 110.195 108.989 1.206 1
2 765 . 16 1 1 A 63 63 GLY H H 58 8.452 8.194 0.258 1
2 766 . 16 1 1 A 63 63 GLY CA C 58 45.052 46.519 -1.467 1
2 767 . 16 1 1 A 63 63 GLY HA2 H 58 3.925 3.936 -0.011 1
2 768 . 16 1 1 A 63 63 GLY HA3 H 58 3.833 3.993 -0.160 1
2 769 . 16 1 1 A 63 63 GLY C C 58 173.738 174.756 -1.018 1
2 770 . 16 1 1 A 64 64 ARG N N 59 120.374 120.592 -0.218 1
2 771 . 16 1 1 A 64 64 ARG H H 59 8.136 8.208 -0.072 1
2 772 . 16 1 1 A 64 64 ARG CA C 59 55.799 56.757 -0.958 1
2 773 . 16 1 1 A 64 64 ARG HA H 59 4.287 4.795 -0.508 1
2 774 . 16 1 1 A 64 64 ARG CB C 59 30.371 30.555 -0.184 1
2 785 . 16 1 1 A 64 64 ARG C C 59 176.287 176.295 -0.008 1
2 786 . 16 1 1 A 65 65 LYS N N 60 121.593 121.245 0.348 1
2 787 . 16 1 1 A 65 65 LYS H H 60 8.483 7.724 0.759 1
2 788 . 16 1 1 A 65 65 LYS CA C 60 56.353 55.137 1.216 1
2 789 . 16 1 1 A 65 65 LYS HA H 60 4.218 4.490 -0.272 1
2 790 . 16 1 1 A 65 65 LYS CB C 60 32.260 33.082 -0.822 1
2 796 . 16 1 1 A 65 65 LYS C C 60 176.102 176.929 -0.827 1
2 797 . 16 1 1 A 66 66 ASN N N 61 118.654 118.570 0.084 1
2 798 . 16 1 1 A 66 66 ASN H H 61 8.413 8.049 0.364 1
2 799 . 16 1 1 A 66 66 ASN CA C 61 53.055 51.792 1.263 1
2 800 . 16 1 1 A 66 66 ASN HA H 61 4.639 4.823 -0.184 1
2 801 . 16 1 1 A 66 66 ASN CB C 61 38.385 37.840 0.545 1
2 808 . 16 1 1 A 66 66 ASN C C 61 174.531 175.482 -0.951 1
2 809 . 16 1 1 A 67 67 SER N N 62 115.491 114.554 0.937 1
2 810 . 16 1 1 A 67 67 SER H H 62 8.288 8.166 0.122 1
2 811 . 16 1 1 A 67 67 SER CA C 62 57.980 59.238 -1.258 1
2 812 . 16 1 1 A 67 67 SER HA H 62 4.283 4.178 0.105 1
2 813 . 16 1 1 A 67 67 SER CB C 62 63.205 62.098 1.107 1
2 816 . 16 1 1 A 67 67 SER C C 62 173.864 174.944 -1.080 1
2 817 . 16 1 1 A 68 68 LEU N N 63 123.549 117.149 6.400 1
2 818 . 16 1 1 A 68 68 LEU H H 63 8.063 7.780 0.283 1
2 819 . 16 1 1 A 68 68 LEU CA C 63 54.098 53.934 0.164 1
2 820 . 16 1 1 A 68 68 LEU HA H 63 4.481 4.613 -0.132 1
2 821 . 16 1 1 A 68 68 LEU CB C 63 42.494 42.354 0.140 1
2 834 . 16 1 1 A 68 68 LEU C C 63 176.532 176.156 0.376 1
2 835 . 16 1 1 A 69 69 THR N N 64 112.637 114.093 -1.456 1
2 836 . 16 1 1 A 69 69 THR H H 64 7.797 7.480 0.317 1
2 837 . 16 1 1 A 69 69 THR CA C 64 59.915 60.224 -0.309 1
2 838 . 16 1 1 A 69 69 THR HA H 64 4.490 4.658 -0.168 1
2 839 . 16 1 1 A 69 69 THR CB C 64 70.852 70.952 -0.100 1
2 845 . 16 1 1 A 69 69 THR C C 64 174.998 175.839 -0.841 1
2 846 . 16 1 1 A 70 70 LYS N N 65 120.128 123.178 -3.050 1
2 847 . 16 1 1 A 70 70 LYS H H 65 9.059 9.086 -0.027 1
2 848 . 16 1 1 A 70 70 LYS CA C 65 59.535 59.061 0.474 1
2 849 . 16 1 1 A 70 70 LYS HA H 65 3.909 4.019 -0.110 1
2 850 . 16 1 1 A 70 70 LYS CB C 65 31.890 31.850 0.040 1
2 858 . 16 1 1 A 70 70 LYS C C 65 177.536 178.537 -1.001 1
2 859 . 16 1 1 A 71 71 GLU N N 66 117.667 119.737 -2.070 1
2 860 . 16 1 1 A 71 71 GLU H H 66 8.699 8.625 0.074 1
2 861 . 16 1 1 A 71 71 GLU CA C 66 60.199 59.126 1.073 1
2 862 . 16 1 1 A 71 71 GLU HA H 66 3.806 4.107 -0.301 1
2 863 . 16 1 1 A 71 71 GLU CB C 66 27.986 29.781 -1.795 1
2 870 . 16 1 1 A 71 71 GLU C C 66 178.416 179.029 -0.613 1
2 871 . 16 1 1 A 72 72 ALA N N 67 123.924 122.185 1.739 1
2 872 . 16 1 1 A 72 72 ALA H H 67 7.992 7.396 0.596 1
2 873 . 16 1 1 A 72 72 ALA CA C 67 54.477 54.841 -0.364 1
2 874 . 16 1 1 A 72 72 ALA HA H 67 4.110 4.099 0.011 1
2 878 . 16 1 1 A 72 72 ALA CB C 67 18.301 18.964 -0.663 1
2 879 . 16 1 1 A 72 72 ALA C C 67 178.721 179.468 -0.747 1
2 880 . 16 1 1 A 73 73 VAL N N 68 119.434 118.334 1.100 1
2 881 . 16 1 1 A 73 73 VAL H H 68 8.044 8.053 -0.009 1
2 882 . 16 1 1 A 73 73 VAL CA C 68 66.089 66.609 -0.520 1
2 883 . 16 1 1 A 73 73 VAL HA H 68 3.473 3.575 -0.102 1
2 884 . 16 1 1 A 73 73 VAL CB C 68 31.150 31.541 -0.391 1
2 894 . 16 1 1 A 73 73 VAL C C 68 177.001 178.492 -1.491 1
2 895 . 16 1 1 A 74 74 ALA N N 69 120.671 121.597 -0.926 1
2 896 . 16 1 1 A 74 74 ALA H H 69 8.407 8.217 0.190 1
2 897 . 16 1 1 A 74 74 ALA CA C 69 54.727 55.123 -0.396 1
2 898 . 16 1 1 A 74 74 ALA HA H 69 3.968 4.140 -0.172 1
2 902 . 16 1 1 A 74 74 ALA CB C 69 18.066 18.192 -0.126 1
2 903 . 16 1 1 A 74 74 ALA C C 69 178.820 179.717 -0.897 1
2 904 . 16 1 1 A 75 75 LYS N N 70 118.624 118.097 0.527 1
2 905 . 16 1 1 A 75 75 LYS H H 70 7.930 7.842 0.088 1
2 906 . 16 1 1 A 75 75 LYS CA C 70 58.807 59.775 -0.968 1
2 907 . 16 1 1 A 75 75 LYS HA H 70 4.086 4.058 0.028 1
2 908 . 16 1 1 A 75 75 LYS CB C 70 31.776 32.331 -0.555 1
2 918 . 16 1 1 A 75 75 LYS C C 70 177.424 179.122 -1.698 1
2 919 . 16 1 1 A 76 76 ILE N N 71 120.234 119.893 0.341 1
2 920 . 16 1 1 A 76 76 ILE H H 71 7.478 7.826 -0.348 1
2 921 . 16 1 1 A 76 76 ILE CA C 71 64.885 64.763 0.122 1
2 922 . 16 1 1 A 76 76 ILE HA H 71 3.960 3.799 0.161 1
2 923 . 16 1 1 A 76 76 ILE CB C 71 37.810 37.181 0.629 1
2 936 . 16 1 1 A 76 76 ILE C C 71 179.734 178.226 1.508 1
2 937 . 16 1 1 A 77 77 VAL N N 72 122.502 120.395 2.107 1
2 938 . 16 1 1 A 77 77 VAL H H 72 8.325 8.104 0.221 1
2 939 . 16 1 1 A 77 77 VAL CA C 72 67.450 66.725 0.725 1
2 940 . 16 1 1 A 77 77 VAL HA H 72 3.576 3.732 -0.156 1
2 941 . 16 1 1 A 77 77 VAL CB C 72 30.928 31.683 -0.755 1
2 951 . 16 1 1 A 77 77 VAL C C 72 176.906 178.266 -1.360 1
2 952 . 16 1 1 A 78 78 ASP N N 73 120.524 120.553 -0.029 1
2 953 . 16 1 1 A 78 78 ASP H H 73 8.798 8.365 0.433 1
2 954 . 16 1 1 A 78 78 ASP CA C 73 58.206 57.555 0.651 1
2 955 . 16 1 1 A 78 78 ASP HA H 73 4.379 4.492 -0.113 1
2 956 . 16 1 1 A 78 78 ASP CB C 73 41.420 41.444 -0.024 1
2 960 . 16 1 1 A 78 78 ASP C C 73 178.068 178.391 -0.323 1
2 961 . 16 1 1 A 79 79 ASP N N 74 119.761 119.703 0.058 1
2 962 . 16 1 1 A 79 79 ASP H H 74 9.318 8.204 1.114 1
2 963 . 16 1 1 A 79 79 ASP CA C 74 57.025 57.314 -0.289 1
2 964 . 16 1 1 A 79 79 ASP HA H 74 4.404 4.384 0.020 1
2 965 . 16 1 1 A 79 79 ASP CB C 74 40.007 40.767 -0.760 1
2 969 . 16 1 1 A 79 79 ASP C C 74 178.813 178.792 0.021 1
2 970 . 16 1 1 A 80 80 THR N N 75 117.342 116.783 0.559 1
2 971 . 16 1 1 A 80 80 THR H H 75 8.084 8.266 -0.182 1
2 972 . 16 1 1 A 80 80 THR CA C 75 66.977 66.457 0.520 1
2 973 . 16 1 1 A 80 80 THR HA H 75 3.826 3.906 -0.080 1
2 974 . 16 1 1 A 80 80 THR CB C 75 67.725 68.332 -0.607 1
2 980 . 16 1 1 A 80 80 THR C C 75 175.367 175.738 -0.371 1
2 981 . 16 1 1 A 81 81 TYR N N 76 123.732 121.980 1.752 1
2 982 . 16 1 1 A 81 81 TYR H H 76 8.830 8.116 0.714 1
2 983 . 16 1 1 A 81 81 TYR CA C 76 61.713 61.868 -0.155 1
2 984 . 16 1 1 A 81 81 TYR HA H 76 4.265 4.324 -0.059 1
2 985 . 16 1 1 A 81 81 TYR CB C 76 38.849 38.986 -0.137 1
2 994 . 16 1 1 A 81 81 TYR C C 76 176.700 178.096 -1.396 1
2 995 . 16 1 1 A 82 82 ARG N N 77 118.508 119.117 -0.609 1
2 996 . 16 1 1 A 82 82 ARG H H 77 8.754 8.740 0.014 1
2 997 . 16 1 1 A 82 82 ARG CA C 77 58.792 58.892 -0.100 1
2 998 . 16 1 1 A 82 82 ARG HA H 77 3.890 3.933 -0.043 1
2 999 . 16 1 1 A 82 82 ARG CB C 77 29.498 29.857 -0.359 1
2 1015 . 16 1 1 A 82 82 ARG C C 77 178.748 178.567 0.181 1
2 1016 . 16 1 1 A 83 83 LYS N N 78 118.079 119.589 -1.510 1
2 1017 . 16 1 1 A 83 83 LYS H H 78 7.696 7.652 0.044 1
2 1018 . 16 1 1 A 83 83 LYS CA C 78 58.671 58.989 -0.318 1
2 1019 . 16 1 1 A 83 83 LYS HA H 78 4.024 4.085 -0.061 1
2 1020 . 16 1 1 A 83 83 LYS CB C 78 32.057 32.288 -0.231 1
2 1026 . 16 1 1 A 83 83 LYS C C 78 177.743 178.440 -0.697 1
2 1027 . 16 1 1 A 84 84 MET N N 79 118.241 119.207 -0.966 1
2 1028 . 16 1 1 A 84 84 MET H H 79 7.748 8.090 -0.342 1
2 1029 . 16 1 1 A 84 84 MET CA C 79 57.209 58.030 -0.821 1
2 1030 . 16 1 1 A 84 84 MET HA H 79 4.170 4.226 -0.056 1
2 1031 . 16 1 1 A 84 84 MET CB C 79 32.320 32.319 0.001 1
2 1041 . 16 1 1 A 84 84 MET C C 79 177.036 178.265 -1.229 1
2 1042 . 16 1 1 A 85 85 GLN N N 80 117.242 119.130 -1.888 1
2 1043 . 16 1 1 A 85 85 GLN H H 80 7.843 8.025 -0.182 1
2 1044 . 16 1 1 A 85 85 GLN CA C 80 56.523 58.442 -1.919 1
2 1045 . 16 1 1 A 85 85 GLN HA H 80 3.993 4.190 -0.197 1
2 1046 . 16 1 1 A 85 85 GLN CB C 80 28.240 28.250 -0.010 1
2 1056 . 16 1 1 A 85 85 GLN C C 80 176.690 175.589 1.101 1
2 1057 . 16 1 1 A 86 86 ILE N N 81 119.178 118.927 0.251 1
2 1058 . 16 1 1 A 86 86 ILE H H 81 7.715 7.886 -0.171 1
2 1059 . 16 1 1 A 86 86 ILE CA C 81 62.073 62.511 -0.438 1
2 1060 . 16 1 1 A 86 86 ILE HA H 81 3.934 3.965 -0.031 1
2 1061 . 16 1 1 A 86 86 ILE CB C 81 37.966 35.862 2.104 1
2 1074 . 16 1 1 A 86 86 ILE C C 81 176.673 174.762 1.911 1
2 1075 . 16 1 1 A 87 87 GLN N N 82 121.386 120.838 0.548 1
2 1076 . 16 1 1 A 87 87 GLN H H 82 8.164 7.693 0.471 1
2 1077 . 16 1 1 A 87 87 GLN CA C 82 55.968 55.164 0.804 1
2 1078 . 16 1 1 A 87 87 GLN HA H 82 4.214 4.333 -0.119 1
2 1079 . 16 1 1 A 87 87 GLN CB C 82 28.735 30.478 -1.743 1
2 1088 . 16 1 1 A 87 87 GLN C C 82 175.836 175.839 -0.003 1
2 1089 . 16 1 1 A 88 88 CYS N N 83 118.663 120.413 -1.750 1
2 1090 . 16 1 1 A 88 88 CYS H H 83 8.238 8.498 -0.260 1
2 1091 . 16 1 1 A 88 88 CYS CA C 83 57.997 58.351 -0.354 1
2 1092 . 16 1 1 A 88 88 CYS HA H 83 4.467 4.498 -0.031 1
2 1093 . 16 1 1 A 88 88 CYS CB C 83 27.582 26.237 1.345 1
2 1096 . 16 1 1 A 88 88 CYS C C 83 173.432 174.077 -0.645 1
2 1097 . 16 1 1 A 89 89 ALA N N 84 127.014 119.606 7.408 1
2 1098 . 16 1 1 A 89 89 ALA H H 84 8.249 7.939 0.310 1
2 1099 . 16 1 1 A 89 89 ALA CA C 84 50.607 53.167 -2.560 1
2 1100 . 16 1 1 A 89 89 ALA HA H 84 4.544 4.136 0.408 1
2 1104 . 16 1 1 A 89 89 ALA CB C 84 17.658 18.127 -0.469 1
2 1105 . 16 1 1 A 89 89 ALA C C 84 175.125 177.658 -2.533 1
2 1107 . 16 1 1 A 90 90 PRO CA C 85 62.995 63.564 -0.569 1
2 1108 . 16 1 1 A 90 90 PRO HA H 85 4.373 4.524 -0.151 1
2 1109 . 16 1 1 A 90 90 PRO CB C 85 31.692 32.311 -0.619 1
2 1117 . 16 1 1 A 90 90 PRO C C 85 176.407 177.171 -0.764 1
2 1118 . 16 1 1 A 91 91 ASP N N 86 119.209 118.765 0.444 1
2 1119 . 16 1 1 A 91 91 ASP H H 86 8.429 8.155 0.274 1
2 1120 . 16 1 1 A 91 91 ASP CA C 86 53.752 54.988 -1.236 1
2 1121 . 16 1 1 A 91 91 ASP HA H 86 4.394 4.340 0.054 1
2 1122 . 16 1 1 A 91 91 ASP CB C 86 40.319 39.265 1.054 1
2 1125 . 16 1 1 A 91 91 ASP C C 86 176.101 176.664 -0.563 1
2 1126 . 16 1 1 A 92 92 LEU N N 87 122.571 121.059 1.512 1
2 1127 . 16 1 1 A 92 92 LEU H H 87 8.208 7.941 0.267 1
2 1128 . 16 1 1 A 92 92 LEU CA C 87 55.286 56.239 -0.953 1
2 1129 . 16 1 1 A 92 92 LEU HA H 87 4.204 4.466 -0.262 1
2 1130 . 16 1 1 A 92 92 LEU CB C 87 41.786 42.543 -0.757 1
2 1143 . 16 1 1 A 92 92 LEU C C 87 177.406 176.212 1.194 1
2 1144 . 16 1 1 A 93 93 ALA N N 88 123.131 120.911 2.220 1
2 1145 . 16 1 1 A 93 93 ALA H H 88 8.305 7.972 0.333 1
2 1146 . 16 1 1 A 93 93 ALA CA C 88 52.876 53.618 -0.742 1
2 1147 . 16 1 1 A 93 93 ALA HA H 88 4.263 4.051 0.212 1
2 1151 . 16 1 1 A 93 93 ALA CB C 88 18.672 17.634 1.038 1
2 1152 . 16 1 1 A 93 93 ALA C C 88 178.033 176.454 1.579 1
2 1153 . 16 1 1 A 94 94 THR N N 89 112.097 102.504 9.593 1
2 1154 . 16 1 1 A 94 94 THR H H 89 7.994 8.261 -0.267 1
2 1155 . 16 1 1 A 94 94 THR CA C 89 61.640 62.995 -1.355 1
2 1156 . 16 1 1 A 94 94 THR HA H 89 4.251 3.919 0.332 1
2 1157 . 16 1 1 A 94 94 THR CB C 89 69.063 66.604 2.459 1
2 1163 . 16 1 1 A 94 94 THR C C 89 174.493 173.808 0.685 1
2 1164 . 16 1 1 A 95 95 ARG N N 90 122.704 114.491 8.213 1
2 1165 . 16 1 1 A 95 95 ARG H H 90 8.211 8.071 0.140 1
2 1166 . 16 1 1 A 95 95 ARG CA C 90 55.718 57.176 -1.458 1
2 1167 . 16 1 1 A 95 95 ARG HA H 90 4.324 4.097 0.227 1
2 1168 . 16 1 1 A 95 95 ARG CB C 90 30.309 27.664 2.645 1
2 1179 . 16 1 1 A 95 95 ARG C C 90 175.927 176.303 -0.376 1
2 1180 . 16 1 1 A 96 96 SER N N 91 116.390 113.851 2.539 1
2 1181 . 16 1 1 A 96 96 SER H H 91 8.365 8.372 -0.007 1
2 1182 . 16 1 1 A 96 96 SER CA C 91 57.823 61.130 -3.307 1
2 1183 . 16 1 1 A 96 96 SER HA H 91 4.356 4.186 0.170 1
2 1184 . 16 1 1 A 96 96 SER CB C 91 63.214 62.943 0.271 1
2 1187 . 16 1 1 A 96 96 SER C C 91 174.011 175.771 -1.760 1
2 1188 . 16 1 1 A 97 97 HIS N N 92 120.507 119.648 0.859 1
2 1189 . 16 1 1 A 97 97 HIS H H 92 8.541 7.726 0.815 1
2 1190 . 16 1 1 A 97 97 HIS CA C 92 54.960 54.352 0.608 1
2 1191 . 16 1 1 A 97 97 HIS HA H 92 4.704 4.604 0.100 1
2 1192 . 16 1 1 A 97 97 HIS CB C 92 28.518 28.498 0.020 1
2 1197 . 16 1 1 A 97 97 HIS C C 92 174.186 173.458 0.728 1
2 1198 . 16 1 1 A 98 98 SER N N 93 116.801 115.173 1.628 1
2 1199 . 16 1 1 A 98 98 SER H H 93 8.455 8.263 0.192 1
2 1200 . 16 1 1 A 98 98 SER CA C 93 57.880 57.672 0.208 1
2 1201 . 16 1 1 A 98 98 SER HA H 93 4.445 4.902 -0.457 1
2 1202 . 16 1 1 A 98 98 SER CB C 93 63.434 65.730 -2.296 1
2 1205 . 16 1 1 A 98 98 SER C C 93 174.508 172.850 1.658 1
2 1206 . 16 1 1 A 99 99 GLY N N 94 111.114 109.416 1.698 1
2 1207 . 16 1 1 A 99 99 GLY H H 94 8.597 8.567 0.030 1
2 1208 . 16 1 1 A 99 99 GLY CA C 94 44.888 45.205 -0.317 1
2 1209 . 16 1 1 A 99 99 GLY HA2 H 94 3.998 4.244 -0.246 1
2 1210 . 16 1 1 A 99 99 GLY HA3 H 94 3.998 4.250 -0.252 1
2 1211 . 16 1 1 A 99 99 GLY C C 94 173.856 174.298 -0.442 1
2 1212 . 16 1 1 A 100 100 SER N N 95 115.398 116.107 -0.709 1
2 1213 . 16 1 1 A 100 100 SER H H 95 8.311 8.604 -0.293 1
2 1214 . 16 1 1 A 100 100 SER CA C 95 57.888 57.356 0.532 1
2 1215 . 16 1 1 A 100 100 SER HA H 95 4.408 4.763 -0.355 1
2 1216 . 16 1 1 A 100 100 SER CB C 95 63.328 64.874 -1.546 1
2 1219 . 16 1 1 A 100 100 SER C C 95 173.725 174.353 -0.628 1
2 1220 . 16 1 1 A 101 101 ASP N N 96 121.810 116.958 4.852 1
2 1221 . 16 1 1 A 101 101 ASP H H 96 8.380 8.374 0.006 1
2 1222 . 16 1 1 A 101 101 ASP CA C 96 53.813 55.675 -1.862 1
2 1223 . 16 1 1 A 101 101 ASP HA H 96 4.536 4.402 0.134 1
2 1224 . 16 1 1 A 101 101 ASP CB C 96 40.438 39.085 1.353 1
2 1227 . 16 1 1 A 101 101 ASP C C 96 175.524 176.208 -0.684 1
2 1228 . 16 1 1 A 102 102 PHE N N 97 120.706 116.493 4.213 1
2 1229 . 16 1 1 A 102 102 PHE H H 97 8.249 8.589 -0.340 1
2 1230 . 16 1 1 A 102 102 PHE CA C 97 57.323 58.971 -1.648 1
2 1231 . 16 1 1 A 102 102 PHE HA H 97 4.527 4.197 0.330 1
2 1232 . 16 1 1 A 102 102 PHE CB C 97 38.989 37.828 1.161 1
2 1238 . 16 1 1 A 102 102 PHE C C 97 175.246 174.918 0.328 1
2 1239 . 16 1 1 A 103 103 SER N N 98 116.992 114.202 2.790 1
2 1240 . 16 1 1 A 103 103 SER H H 98 8.167 8.892 -0.725 1
2 1241 . 16 1 1 A 103 103 SER CA C 98 57.883 60.218 -2.335 1
2 1242 . 16 1 1 A 103 103 SER HA H 98 4.317 4.490 -0.173 1
2 1243 . 16 1 1 A 103 103 SER CB C 98 63.301 62.495 0.806 1
2 1246 . 16 1 1 A 103 103 SER C C 98 173.244 173.280 -0.036 1
2 1247 . 16 1 1 A 104 104 PHE N N 99 122.000 123.684 -1.684 1
2 1248 . 16 1 1 A 104 104 PHE H H 99 8.170 8.754 -0.584 1
2 1249 . 16 1 1 A 104 104 PHE CA C 99 57.236 56.702 0.534 1
2 1250 . 16 1 1 A 104 104 PHE HA H 99 4.529 4.770 -0.241 1
2 1251 . 16 1 1 A 104 104 PHE CB C 99 38.997 39.873 -0.876 1
2 1257 . 16 1 1 A 104 104 PHE C C 99 174.632 175.214 -0.582 1
2 1258 . 16 1 1 A 105 105 ARG N N 100 124.796 120.907 3.889 1
2 1259 . 16 1 1 A 105 105 ARG H H 100 8.101 7.290 0.811 1
2 1260 . 16 1 1 A 105 105 ARG CA C 100 52.969 54.804 -1.835 1
2 1261 . 16 1 1 A 105 105 ARG HA H 100 4.516 4.413 0.103 1
2 1262 . 16 1 1 A 105 105 ARG CB C 100 30.069 29.454 0.615 1
2 1271 . 16 1 1 A 105 105 ARG C C 100 172.924 174.316 -1.392 1
2 1273 . 16 1 1 A 106 106 PRO CA C 101 62.673 62.280 0.393 1
2 1274 . 16 1 1 A 106 106 PRO HA H 101 4.351 4.579 -0.228 1
2 1275 . 16 1 1 A 106 106 PRO CB C 101 31.726 33.343 -1.617 1
2 1283 . 16 1 1 A 106 106 PRO C C 101 176.395 176.380 0.015 1
2 1284 . 16 1 1 A 107 107 ILE N N 102 121.380 120.850 0.530 1
2 1285 . 16 1 1 A 107 107 ILE H H 102 8.350 8.434 -0.084 1
2 1286 . 16 1 1 A 107 107 ILE CA C 102 60.940 60.342 0.598 1
2 1287 . 16 1 1 A 107 107 ILE HA H 102 4.039 4.633 -0.594 1
2 1288 . 16 1 1 A 107 107 ILE CB C 102 38.204 38.877 -0.673 1
2 1301 . 16 1 1 A 107 107 ILE C C 102 175.990 176.387 -0.397 1
2 1302 . 16 1 1 A 108 108 GLU N N 103 124.836 123.240 1.596 1
2 1303 . 16 1 1 A 108 108 GLU H H 103 8.578 8.205 0.373 1
2 1304 . 16 1 1 A 108 108 GLU CA C 103 55.883 59.216 -3.333 1
2 1305 . 16 1 1 A 108 108 GLU HA H 103 4.280 3.949 0.331 1
2 1306 . 16 1 1 A 108 108 GLU CB C 103 29.902 30.298 -0.396 1
2 1312 . 16 1 1 A 108 108 GLU C C 103 175.670 176.412 -0.742 1
2 1313 . 16 1 1 A 109 109 GLU N N 104 122.847 115.365 7.482 1
2 1314 . 16 1 1 A 109 109 GLU H H 104 8.459 7.741 0.718 1
2 1315 . 16 1 1 A 109 109 GLU CA C 104 55.902 55.598 0.304 1
2 1316 . 16 1 1 A 109 109 GLU HA H 104 4.267 4.621 -0.354 1
2 1317 . 16 1 1 A 109 109 GLU CB C 104 29.985 31.914 -1.929 1
2 1322 . 16 1 1 A 109 109 GLU C C 104 174.661 175.155 -0.494 1
2 3 . 17 1 1 A 2 2 SER N N -4 115.528 120.515 -4.987 1
2 4 . 17 1 1 A 2 2 SER H H -4 8.751 8.345 0.406 1
2 5 . 17 1 1 A 2 2 SER CA C -4 57.687 59.414 -1.727 1
2 6 . 17 1 1 A 2 2 SER HA H -4 4.451 4.834 -0.383 1
2 7 . 17 1 1 A 2 2 SER CB C -4 63.389 65.755 -2.366 1
2 8 . 17 1 1 A 2 2 SER C C -4 173.913 173.872 0.041 1
2 9 . 17 1 1 A 3 3 HIS N N -3 120.998 114.813 6.185 1
2 10 . 17 1 1 A 3 3 HIS H H -3 8.769 7.915 0.854 1
2 11 . 17 1 1 A 3 3 HIS CA C -3 55.010 53.776 1.234 1
2 12 . 17 1 1 A 3 3 HIS HA H -3 4.707 5.096 -0.389 1
2 13 . 17 1 1 A 3 3 HIS CB C -3 28.916 30.681 -1.765 1
2 16 . 17 1 1 A 3 3 HIS C C -3 174.207 173.631 0.576 1
2 17 . 17 1 1 A 4 4 MET N N -2 122.227 124.656 -2.429 1
2 18 . 17 1 1 A 4 4 MET H H -2 8.518 8.966 -0.448 1
2 19 . 17 1 1 A 4 4 MET CA C -2 55.014 54.833 0.181 1
2 20 . 17 1 1 A 4 4 MET HA H -2 4.418 4.964 -0.546 1
2 21 . 17 1 1 A 4 4 MET CB C -2 32.678 33.536 -0.858 1
2 31 . 17 1 1 A 4 4 MET C C -2 175.481 175.295 0.186 1
2 49 . 17 1 1 A 7 7 ALA N N 2 124.549 122.548 2.001 1
2 50 . 17 1 1 A 7 7 ALA H H 2 8.453 8.495 -0.042 1
2 51 . 17 1 1 A 7 7 ALA CA C 2 53.221 55.328 -2.107 1
2 52 . 17 1 1 A 7 7 ALA HA H 2 4.194 4.060 0.134 1
2 56 . 17 1 1 A 7 7 ALA CB C 2 18.431 18.358 0.073 1
2 57 . 17 1 1 A 7 7 ALA C C 2 178.162 179.700 -1.538 1
2 58 . 17 1 1 A 8 8 ASP N N 3 118.618 118.325 0.293 1
2 59 . 17 1 1 A 8 8 ASP H H 3 8.064 7.869 0.195 1
2 60 . 17 1 1 A 8 8 ASP CA C 3 54.124 57.125 -3.001 1
2 61 . 17 1 1 A 8 8 ASP HA H 3 4.539 4.439 0.100 1
2 62 . 17 1 1 A 8 8 ASP CB C 3 40.341 40.708 -0.367 1
2 65 . 17 1 1 A 8 8 ASP C C 3 176.694 178.422 -1.728 1
2 66 . 17 1 1 A 9 9 LEU N N 4 123.427 120.800 2.627 1
2 67 . 17 1 1 A 9 9 LEU H H 4 8.202 7.611 0.591 1
2 68 . 17 1 1 A 9 9 LEU CA C 4 57.495 57.894 -0.399 1
2 69 . 17 1 1 A 9 9 LEU HA H 4 4.086 4.011 0.075 1
2 70 . 17 1 1 A 9 9 LEU CB C 4 41.905 41.699 0.206 1
2 82 . 17 1 1 A 9 9 LEU C C 4 178.839 178.614 0.225 1
2 83 . 17 1 1 A 10 10 VAL N N 5 119.385 119.399 -0.014 1
2 84 . 17 1 1 A 10 10 VAL H H 5 8.186 8.822 -0.636 1
2 85 . 17 1 1 A 10 10 VAL CA C 5 66.585 66.746 -0.161 1
2 86 . 17 1 1 A 10 10 VAL HA H 5 3.420 3.519 -0.099 1
2 87 . 17 1 1 A 10 10 VAL CB C 5 31.177 31.534 -0.357 1
2 97 . 17 1 1 A 10 10 VAL C C 5 177.439 178.139 -0.700 1
2 98 . 17 1 1 A 11 11 SER N N 6 115.027 115.550 -0.523 1
2 99 . 17 1 1 A 11 11 SER H H 6 8.252 8.047 0.205 1
2 100 . 17 1 1 A 11 11 SER CA C 6 61.152 61.644 -0.492 1
2 101 . 17 1 1 A 11 11 SER HA H 6 4.055 4.046 0.009 1
2 102 . 17 1 1 A 11 11 SER CB C 6 62.161 62.878 -0.717 1
2 105 . 17 1 1 A 11 11 SER C C 6 176.036 177.068 -1.032 1
2 106 . 17 1 1 A 12 12 SER N N 7 115.144 115.218 -0.074 1
2 107 . 17 1 1 A 12 12 SER H H 7 8.053 7.945 0.108 1
2 108 . 17 1 1 A 12 12 SER CA C 7 60.168 61.633 -1.465 1
2 109 . 17 1 1 A 12 12 SER HA H 7 4.284 4.111 0.173 1
2 110 . 17 1 1 A 12 12 SER CB C 7 62.706 62.866 -0.160 1
2 113 . 17 1 1 A 12 12 SER C C 7 176.540 177.259 -0.719 1
2 114 . 17 1 1 A 13 13 CYS N N 8 118.211 119.040 -0.829 1
2 115 . 17 1 1 A 13 13 CYS H H 8 7.919 8.670 -0.751 1
2 116 . 17 1 1 A 13 13 CYS CA C 8 63.651 63.947 -0.296 1
2 117 . 17 1 1 A 13 13 CYS HA H 8 4.026 4.130 -0.104 1
2 118 . 17 1 1 A 13 13 CYS CB C 8 26.641 27.105 -0.464 1
2 121 . 17 1 1 A 13 13 CYS C C 8 175.645 177.005 -1.360 1
2 122 . 17 1 1 A 14 14 LYS N N 9 120.074 121.592 -1.518 1
2 123 . 17 1 1 A 14 14 LYS H H 9 8.632 8.186 0.446 1
2 124 . 17 1 1 A 14 14 LYS CA C 9 60.441 59.679 0.762 1
2 125 . 17 1 1 A 14 14 LYS HA H 9 3.672 3.988 -0.316 1
2 126 . 17 1 1 A 14 14 LYS CB C 9 31.685 32.011 -0.326 1
2 138 . 17 1 1 A 14 14 LYS C C 9 177.615 177.787 -0.172 1
2 139 . 17 1 1 A 15 15 ASP N N 10 117.613 119.554 -1.941 1
2 140 . 17 1 1 A 15 15 ASP H H 10 7.732 8.104 -0.372 1
2 141 . 17 1 1 A 15 15 ASP CA C 10 56.175 57.359 -1.184 1
2 142 . 17 1 1 A 15 15 ASP HA H 10 4.307 4.244 0.063 1
2 143 . 17 1 1 A 15 15 ASP CB C 10 40.056 41.520 -1.464 1
2 146 . 17 1 1 A 15 15 ASP C C 10 177.650 178.708 -1.058 1
2 147 . 17 1 1 A 16 16 LYS N N 11 117.878 117.801 0.077 1
2 148 . 17 1 1 A 16 16 LYS H H 11 7.254 7.741 -0.487 1
2 149 . 17 1 1 A 16 16 LYS CA C 11 58.962 59.423 -0.461 1
2 150 . 17 1 1 A 16 16 LYS HA H 11 3.645 3.747 -0.102 1
2 151 . 17 1 1 A 16 16 LYS CB C 11 32.951 32.138 0.813 1
2 160 . 17 1 1 A 16 16 LYS C C 11 177.263 179.009 -1.746 1
2 161 . 17 1 1 A 17 17 LEU N N 12 115.652 121.539 -5.887 1
2 162 . 17 1 1 A 17 17 LEU H H 12 8.138 8.343 -0.205 1
2 163 . 17 1 1 A 17 17 LEU CA C 12 56.726 57.997 -1.271 1
2 164 . 17 1 1 A 17 17 LEU HA H 12 3.579 4.466 -0.887 1
2 165 . 17 1 1 A 17 17 LEU CB C 12 41.959 41.256 0.703 1
2 176 . 17 1 1 A 17 17 LEU C C 12 177.485 178.391 -0.906 1
2 177 . 17 1 1 A 18 18 ALA N N 13 116.044 121.056 -5.012 1
2 178 . 17 1 1 A 18 18 ALA H H 13 7.080 8.440 -1.360 1
2 179 . 17 1 1 A 18 18 ALA CA C 13 53.389 54.879 -1.490 1
2 180 . 17 1 1 A 18 18 ALA HA H 13 3.963 4.125 -0.162 1
2 184 . 17 1 1 A 18 18 ALA CB C 13 18.161 18.539 -0.378 1
2 185 . 17 1 1 A 18 18 ALA C C 13 178.207 179.537 -1.330 1
2 186 . 17 1 1 A 19 19 TYR N N 14 115.556 119.331 -3.775 1
2 187 . 17 1 1 A 19 19 TYR H H 14 7.675 7.640 0.035 1
2 188 . 17 1 1 A 19 19 TYR CA C 14 58.647 59.758 -1.111 1
2 189 . 17 1 1 A 19 19 TYR HA H 14 4.304 4.168 0.136 1
2 190 . 17 1 1 A 19 19 TYR CB C 14 38.609 39.106 -0.497 1
2 199 . 17 1 1 A 19 19 TYR C C 14 175.911 175.761 0.150 1
2 200 . 17 1 1 A 20 20 PHE N N 15 118.275 119.278 -1.003 1
2 201 . 17 1 1 A 20 20 PHE H H 15 7.406 7.735 -0.329 1
2 202 . 17 1 1 A 20 20 PHE CA C 15 56.615 56.793 -0.178 1
2 203 . 17 1 1 A 20 20 PHE HA H 15 4.649 4.835 -0.186 1
2 204 . 17 1 1 A 20 20 PHE CB C 15 38.750 40.556 -1.806 1
2 215 . 17 1 1 A 20 20 PHE C C 15 176.160 175.773 0.387 1
2 216 . 17 1 1 A 21 21 ARG N N 16 119.140 121.915 -2.775 1
2 217 . 17 1 1 A 21 21 ARG H H 16 8.714 8.827 -0.113 1
2 218 . 17 1 1 A 21 21 ARG CA C 16 54.349 55.954 -1.605 1
2 219 . 17 1 1 A 21 21 ARG HA H 16 4.751 4.427 0.324 1
2 220 . 17 1 1 A 21 21 ARG CB C 16 30.097 31.238 -1.141 1
2 236 . 17 1 1 A 21 21 ARG C C 16 177.095 177.869 -0.774 1
2 237 . 17 1 1 A 22 22 ILE N N 17 120.734 121.558 -0.824 1
2 238 . 17 1 1 A 22 22 ILE H H 17 8.708 8.838 -0.130 1
2 239 . 17 1 1 A 22 22 ILE CA C 17 65.145 64.616 0.529 1
2 240 . 17 1 1 A 22 22 ILE HA H 17 3.720 3.740 -0.020 1
2 241 . 17 1 1 A 22 22 ILE CB C 17 36.857 37.283 -0.426 1
2 254 . 17 1 1 A 22 22 ILE C C 17 176.745 177.864 -1.119 1
2 255 . 17 1 1 A 23 23 LYS N N 18 118.184 121.270 -3.086 1
2 256 . 17 1 1 A 23 23 LYS H H 18 8.267 8.151 0.116 1
2 257 . 17 1 1 A 23 23 LYS CA C 18 59.829 60.427 -0.598 1
2 258 . 17 1 1 A 23 23 LYS HA H 18 3.897 3.834 0.063 1
2 259 . 17 1 1 A 23 23 LYS CB C 18 32.268 32.190 0.078 1
2 271 . 17 1 1 A 23 23 LYS C C 18 178.159 179.076 -0.917 1
2 272 . 17 1 1 A 24 24 GLU N N 19 117.654 120.209 -2.555 1
2 273 . 17 1 1 A 24 24 GLU H H 19 7.198 7.646 -0.448 1
2 274 . 17 1 1 A 24 24 GLU CA C 19 60.612 58.992 1.620 1
2 275 . 17 1 1 A 24 24 GLU HA H 19 4.030 3.966 0.064 1
2 276 . 17 1 1 A 24 24 GLU CB C 19 28.859 29.413 -0.554 1
2 282 . 17 1 1 A 24 24 GLU C C 19 178.521 178.879 -0.358 1
2 283 . 17 1 1 A 25 25 LEU N N 20 119.236 120.352 -1.116 1
2 284 . 17 1 1 A 25 25 LEU H H 20 7.980 7.691 0.289 1
2 285 . 17 1 1 A 25 25 LEU CA C 20 57.676 57.675 0.001 1
2 286 . 17 1 1 A 25 25 LEU HA H 20 3.904 3.944 -0.040 1
2 287 . 17 1 1 A 25 25 LEU CB C 20 42.218 41.760 0.458 1
2 294 . 17 1 1 A 25 25 LEU C C 20 177.990 179.117 -1.127 1
2 295 . 17 1 1 A 26 26 LYS N N 21 117.457 119.483 -2.026 1
2 296 . 17 1 1 A 26 26 LYS H H 21 8.770 8.731 0.039 1
2 297 . 17 1 1 A 26 26 LYS CA C 21 60.660 59.737 0.923 1
2 298 . 17 1 1 A 26 26 LYS HA H 21 3.787 3.873 -0.086 1
2 299 . 17 1 1 A 26 26 LYS CB C 21 31.876 32.044 -0.168 1
2 300 . 17 1 1 A 26 26 LYS C C 21 177.625 178.248 -0.623 1
2 301 . 17 1 1 A 27 27 ASP N N 22 119.023 119.654 -0.631 1
2 302 . 17 1 1 A 27 27 ASP H H 22 7.671 8.044 -0.373 1
2 303 . 17 1 1 A 27 27 ASP CA C 22 56.974 57.275 -0.301 1
2 304 . 17 1 1 A 27 27 ASP HA H 22 4.392 4.257 0.135 1
2 305 . 17 1 1 A 27 27 ASP CB C 22 40.250 40.740 -0.490 1
2 308 . 17 1 1 A 27 27 ASP C C 22 180.796 179.123 1.673 1
2 309 . 17 1 1 A 28 28 ILE N N 23 119.318 119.470 -0.152 1
2 310 . 17 1 1 A 28 28 ILE H H 23 8.039 7.701 0.338 1
2 311 . 17 1 1 A 28 28 ILE CA C 23 65.365 64.427 0.938 1
2 312 . 17 1 1 A 28 28 ILE HA H 23 3.587 3.712 -0.125 1
2 313 . 17 1 1 A 28 28 ILE CB C 23 37.408 37.228 0.180 1
2 326 . 17 1 1 A 28 28 ILE C C 23 177.265 178.839 -1.574 1
2 327 . 17 1 1 A 29 29 LEU N N 24 120.356 121.009 -0.653 1
2 328 . 17 1 1 A 29 29 LEU H H 24 8.220 8.168 0.052 1
2 329 . 17 1 1 A 29 29 LEU CA C 24 58.562 58.192 0.370 1
2 330 . 17 1 1 A 29 29 LEU HA H 24 3.806 3.807 -0.001 1
2 331 . 17 1 1 A 29 29 LEU CB C 24 39.477 41.691 -2.214 1
2 339 . 17 1 1 A 29 29 LEU C C 24 178.572 178.690 -0.118 1
2 340 . 17 1 1 A 30 30 ASN N N 25 117.446 115.333 2.113 1
2 341 . 17 1 1 A 30 30 ASN H H 25 8.688 9.051 -0.363 1
2 342 . 17 1 1 A 30 30 ASN CA C 25 56.092 55.952 0.140 1
2 343 . 17 1 1 A 30 30 ASN HA H 25 4.493 4.382 0.111 1
2 344 . 17 1 1 A 30 30 ASN CB C 25 38.809 37.808 1.001 1
2 351 . 17 1 1 A 30 30 ASN C C 25 178.884 177.060 1.824 1
2 352 . 17 1 1 A 31 31 GLN N N 26 119.946 118.936 1.010 1
2 353 . 17 1 1 A 31 31 GLN H H 26 8.184 7.653 0.531 1
2 354 . 17 1 1 A 31 31 GLN CA C 26 58.786 58.030 0.756 1
2 355 . 17 1 1 A 31 31 GLN HA H 26 4.041 4.195 -0.154 1
2 356 . 17 1 1 A 31 31 GLN CB C 26 29.089 28.455 0.634 1
2 366 . 17 1 1 A 31 31 GLN C C 26 177.656 177.281 0.375 1
2 367 . 17 1 1 A 32 32 LEU N N 27 116.979 117.945 -0.966 1
2 368 . 17 1 1 A 32 32 LEU H H 27 7.893 7.543 0.350 1
2 369 . 17 1 1 A 32 32 LEU CA C 27 54.545 55.936 -1.391 1
2 370 . 17 1 1 A 32 32 LEU HA H 27 4.227 4.281 -0.054 1
2 371 . 17 1 1 A 32 32 LEU CB C 27 42.063 42.784 -0.721 1
2 382 . 17 1 1 A 32 32 LEU C C 27 175.733 177.379 -1.646 1
2 383 . 17 1 1 A 33 33 GLY N N 28 108.299 107.288 1.011 1
2 384 . 17 1 1 A 33 33 GLY H H 28 7.834 8.510 -0.676 1
2 385 . 17 1 1 A 33 33 GLY CA C 28 45.707 46.435 -0.728 1
2 386 . 17 1 1 A 33 33 GLY HA2 H 28 3.952 3.973 -0.021 1
2 387 . 17 1 1 A 33 33 GLY HA3 H 28 3.952 3.974 -0.022 1
2 388 . 17 1 1 A 33 33 GLY C C 28 174.317 174.334 -0.017 1
2 389 . 17 1 1 A 34 34 LEU N N 29 120.833 121.781 -0.948 1
2 390 . 17 1 1 A 34 34 LEU H H 29 7.986 7.412 0.574 1
2 391 . 17 1 1 A 34 34 LEU CA C 29 51.558 51.807 -0.249 1
2 392 . 17 1 1 A 34 34 LEU HA H 29 4.744 4.751 -0.007 1
2 393 . 17 1 1 A 34 34 LEU CB C 29 43.525 42.923 0.602 1
2 405 . 17 1 1 A 35 35 PRO CA C 30 62.707 62.435 0.272 1
2 406 . 17 1 1 A 35 35 PRO HA H 30 4.351 4.640 -0.289 1
2 407 . 17 1 1 A 35 35 PRO CB C 30 31.919 29.589 2.330 1
2 415 . 17 1 1 A 35 35 PRO C C 30 177.488 175.523 1.965 1
2 416 . 17 1 1 A 36 36 LYS N N 31 117.590 124.124 -6.534 1
2 417 . 17 1 1 A 36 36 LYS H H 31 8.380 8.249 0.131 1
2 418 . 17 1 1 A 36 36 LYS CA C 31 55.660 55.617 0.043 1
2 419 . 17 1 1 A 36 36 LYS HA H 31 4.286 4.501 -0.215 1
2 420 . 17 1 1 A 36 36 LYS CB C 31 33.239 32.488 0.751 1
2 430 . 17 1 1 A 36 36 LYS C C 31 174.384 174.534 -0.150 1
2 431 . 17 1 1 A 37 37 GLN N N 32 118.260 118.643 -0.383 1
2 432 . 17 1 1 A 37 37 GLN H H 32 7.698 8.217 -0.519 1
2 433 . 17 1 1 A 37 37 GLN CA C 32 55.550 54.269 1.281 1
2 434 . 17 1 1 A 37 37 GLN HA H 32 4.376 4.851 -0.475 1
2 435 . 17 1 1 A 37 37 GLN CB C 32 28.221 30.907 -2.686 1
2 445 . 17 1 1 A 37 37 GLN C C 32 175.222 174.950 0.272 1
2 446 . 17 1 1 A 38 38 GLY N N 33 109.855 106.696 3.159 1
2 447 . 17 1 1 A 38 38 GLY H H 33 8.449 8.371 0.078 1
2 448 . 17 1 1 A 38 38 GLY CA C 33 43.235 46.130 -2.895 1
2 449 . 17 1 1 A 38 38 GLY HA2 H 33 4.566 4.188 0.378 1
2 450 . 17 1 1 A 38 38 GLY HA3 H 33 3.789 4.189 -0.400 1
2 451 . 17 1 1 A 38 38 GLY C C 33 173.603 172.654 0.949 1
2 452 . 17 1 1 A 39 39 LYS N N 34 117.627 120.325 -2.698 1
2 453 . 17 1 1 A 39 39 LYS H H 34 8.649 8.256 0.393 1
2 454 . 17 1 1 A 39 39 LYS CA C 34 54.563 54.490 0.073 1
2 455 . 17 1 1 A 39 39 LYS HA H 34 4.394 4.677 -0.283 1
2 456 . 17 1 1 A 39 39 LYS CB C 34 32.892 33.456 -0.564 1
2 468 . 17 1 1 A 39 39 LYS C C 34 176.803 177.894 -1.091 1
2 469 . 17 1 1 A 40 40 LYS N N 35 121.705 119.407 2.298 1
2 470 . 17 1 1 A 40 40 LYS H H 35 8.920 8.683 0.237 1
2 471 . 17 1 1 A 40 40 LYS CA C 35 61.559 59.265 2.294 1
2 472 . 17 1 1 A 40 40 LYS HA H 35 3.597 3.974 -0.377 1
2 473 . 17 1 1 A 40 40 LYS CB C 35 31.953 32.267 -0.314 1
2 485 . 17 1 1 A 40 40 LYS C C 35 177.362 178.268 -0.906 1
2 486 . 17 1 1 A 41 41 GLN N N 36 114.637 118.439 -3.802 1
2 487 . 17 1 1 A 41 41 GLN H H 36 9.017 7.912 1.105 1
2 488 . 17 1 1 A 41 41 GLN CA C 36 57.638 58.588 -0.950 1
2 489 . 17 1 1 A 41 41 GLN HA H 36 3.719 4.040 -0.321 1
2 490 . 17 1 1 A 41 41 GLN CB C 36 27.865 28.342 -0.477 1
2 500 . 17 1 1 A 41 41 GLN C C 36 176.975 178.660 -1.685 1
2 501 . 17 1 1 A 42 42 ASP N N 37 115.984 120.263 -4.279 1
2 502 . 17 1 1 A 42 42 ASP H H 37 7.049 7.901 -0.852 1
2 503 . 17 1 1 A 42 42 ASP CA C 37 56.424 57.364 -0.940 1
2 504 . 17 1 1 A 42 42 ASP HA H 37 4.303 4.407 -0.104 1
2 505 . 17 1 1 A 42 42 ASP CB C 37 39.955 40.996 -1.041 1
2 508 . 17 1 1 A 42 42 ASP C C 37 178.454 178.869 -0.415 1
2 509 . 17 1 1 A 43 43 LEU N N 38 119.074 120.412 -1.338 1
2 510 . 17 1 1 A 43 43 LEU H H 38 7.725 8.114 -0.389 1
2 511 . 17 1 1 A 43 43 LEU CA C 38 57.716 58.087 -0.371 1
2 512 . 17 1 1 A 43 43 LEU HA H 38 3.794 3.998 -0.204 1
2 513 . 17 1 1 A 43 43 LEU CB C 38 40.211 42.121 -1.910 1
2 526 . 17 1 1 A 43 43 LEU C C 38 177.872 178.999 -1.127 1
2 527 . 17 1 1 A 44 44 ILE N N 39 118.343 118.281 0.062 1
2 528 . 17 1 1 A 44 44 ILE H H 39 7.867 8.088 -0.221 1
2 529 . 17 1 1 A 44 44 ILE CA C 39 66.211 65.397 0.814 1
2 530 . 17 1 1 A 44 44 ILE HA H 39 3.319 3.521 -0.202 1
2 531 . 17 1 1 A 44 44 ILE CB C 39 37.985 37.687 0.298 1
2 541 . 17 1 1 A 44 44 ILE C C 39 177.711 177.714 -0.003 1
2 542 . 17 1 1 A 45 45 ASP N N 40 118.535 120.474 -1.939 1
2 543 . 17 1 1 A 45 45 ASP H H 40 8.503 8.357 0.146 1
2 544 . 17 1 1 A 45 45 ASP CA C 40 56.817 57.022 -0.205 1
2 545 . 17 1 1 A 45 45 ASP HA H 40 4.256 4.417 -0.161 1
2 546 . 17 1 1 A 45 45 ASP CB C 40 39.815 41.383 -1.568 1
2 549 . 17 1 1 A 45 45 ASP C C 40 178.464 178.760 -0.296 1
2 550 . 17 1 1 A 46 46 ARG N N 41 120.910 119.349 1.561 1
2 551 . 17 1 1 A 46 46 ARG H H 41 7.717 7.922 -0.205 1
2 552 . 17 1 1 A 46 46 ARG CA C 41 59.054 59.693 -0.639 1
2 553 . 17 1 1 A 46 46 ARG HA H 41 3.993 4.046 -0.053 1
2 554 . 17 1 1 A 46 46 ARG CB C 41 29.778 30.291 -0.513 1
2 563 . 17 1 1 A 46 46 ARG C C 41 177.565 178.552 -0.987 1
2 564 . 17 1 1 A 47 47 VAL N N 42 117.438 119.156 -1.718 1
2 565 . 17 1 1 A 47 47 VAL H H 42 7.445 7.902 -0.457 1
2 566 . 17 1 1 A 47 47 VAL CA C 42 66.095 66.392 -0.297 1
2 567 . 17 1 1 A 47 47 VAL HA H 42 3.446 3.653 -0.207 1
2 568 . 17 1 1 A 47 47 VAL CB C 42 31.113 31.724 -0.611 1
2 578 . 17 1 1 A 47 47 VAL C C 42 177.710 178.150 -0.440 1
2 579 . 17 1 1 A 48 48 LEU N N 43 117.085 117.583 -0.498 1
2 580 . 17 1 1 A 48 48 LEU H H 43 8.466 8.080 0.386 1
2 581 . 17 1 1 A 48 48 LEU CA C 43 57.406 57.746 -0.340 1
2 582 . 17 1 1 A 48 48 LEU HA H 43 3.851 3.989 -0.138 1
2 583 . 17 1 1 A 48 48 LEU CB C 43 40.779 41.128 -0.349 1
2 596 . 17 1 1 A 48 48 LEU C C 43 179.581 179.731 -0.150 1
2 597 . 17 1 1 A 49 49 ALA N N 44 120.480 121.889 -1.409 1
2 598 . 17 1 1 A 49 49 ALA H H 44 7.952 8.040 -0.088 1
2 599 . 17 1 1 A 49 49 ALA CA C 44 53.998 55.004 -1.006 1
2 600 . 17 1 1 A 49 49 ALA HA H 44 4.104 4.040 0.064 1
2 604 . 17 1 1 A 49 49 ALA CB C 44 17.685 18.386 -0.701 1
2 605 . 17 1 1 A 49 49 ALA C C 44 178.926 179.182 -0.256 1
2 606 . 17 1 1 A 50 50 LEU N N 45 115.306 120.189 -4.883 1
2 607 . 17 1 1 A 50 50 LEU H H 45 7.428 7.659 -0.231 1
2 608 . 17 1 1 A 50 50 LEU CA C 45 55.650 57.581 -1.931 1
2 609 . 17 1 1 A 50 50 LEU HA H 45 4.206 4.099 0.107 1
2 610 . 17 1 1 A 50 50 LEU CB C 45 41.937 41.845 0.092 1
2 623 . 17 1 1 A 50 50 LEU C C 45 177.840 178.749 -0.909 1
2 624 . 17 1 1 A 51 51 LEU N N 46 115.880 118.642 -2.762 1
2 625 . 17 1 1 A 51 51 LEU H H 46 7.642 8.001 -0.359 1
2 626 . 17 1 1 A 51 51 LEU CA C 46 54.861 56.496 -1.635 1
2 627 . 17 1 1 A 51 51 LEU HA H 46 4.260 4.154 0.106 1
2 628 . 17 1 1 A 51 51 LEU CB C 46 42.228 41.848 0.380 1
2 638 . 17 1 1 A 51 51 LEU C C 46 176.015 177.665 -1.650 1
2 639 . 17 1 1 A 52 52 THR N N 47 109.201 112.859 -3.658 1
2 640 . 17 1 1 A 52 52 THR H H 47 7.515 7.545 -0.030 1
2 641 . 17 1 1 A 52 52 THR CA C 47 60.972 64.656 -3.684 1
2 642 . 17 1 1 A 52 52 THR HA H 47 4.345 4.285 0.060 1
2 643 . 17 1 1 A 52 52 THR CB C 47 69.620 69.327 0.293 1
2 649 . 17 1 1 A 52 52 THR C C 47 173.733 175.525 -1.792 1
2 650 . 17 1 1 A 53 53 ASP N N 48 122.188 119.304 2.884 1
2 651 . 17 1 1 A 53 53 ASP H H 48 8.280 8.256 0.024 1
2 652 . 17 1 1 A 53 53 ASP CA C 48 54.205 56.552 -2.347 1
2 653 . 17 1 1 A 53 53 ASP HA H 48 4.686 4.436 0.250 1
2 654 . 17 1 1 A 53 53 ASP CB C 48 40.766 40.408 0.358 1
2 658 . 17 1 1 A 53 53 ASP C C 48 176.000 176.698 -0.698 1
2 659 . 17 1 1 A 54 54 GLU N N 49 121.966 118.535 3.431 1
2 660 . 17 1 1 A 54 54 GLU H H 49 8.589 7.714 0.875 1
2 661 . 17 1 1 A 54 54 GLU CA C 49 56.448 55.502 0.946 1
2 662 . 17 1 1 A 54 54 GLU HA H 49 4.234 4.646 -0.412 1
2 663 . 17 1 1 A 54 54 GLU CB C 49 29.642 30.805 -1.163 1
2 669 . 17 1 1 A 54 54 GLU C C 49 176.522 176.725 -0.203 1
2 670 . 17 1 1 A 55 55 GLN N N 50 120.727 118.817 1.910 1
2 671 . 17 1 1 A 55 55 GLN H H 50 8.642 7.484 1.158 1
2 672 . 17 1 1 A 55 55 GLN CA C 50 56.251 55.396 0.855 1
2 673 . 17 1 1 A 55 55 GLN HA H 50 4.217 4.166 0.051 1
2 674 . 17 1 1 A 55 55 GLN CB C 50 28.555 29.073 -0.518 1
2 684 . 17 1 1 A 55 55 GLN C C 50 176.519 176.763 -0.244 1
2 685 . 17 1 1 A 56 56 GLY N N 51 109.357 108.737 0.620 1
2 686 . 17 1 1 A 56 56 GLY H H 51 8.519 7.799 0.720 1
2 687 . 17 1 1 A 56 56 GLY CA C 51 45.276 46.620 -1.344 1
2 688 . 17 1 1 A 56 56 GLY HA2 H 51 3.950 3.794 0.156 1
2 689 . 17 1 1 A 56 56 GLY HA3 H 51 3.809 3.800 0.009 1
2 690 . 17 1 1 A 56 56 GLY C C 51 174.146 175.054 -0.908 1
2 691 . 17 1 1 A 57 57 GLN N N 52 119.207 118.190 1.017 1
2 692 . 17 1 1 A 57 57 GLN H H 52 8.263 8.230 0.033 1
2 693 . 17 1 1 A 57 57 GLN CA C 52 55.572 58.602 -3.030 1
2 694 . 17 1 1 A 57 57 GLN HA H 52 4.203 4.048 0.155 1
2 695 . 17 1 1 A 57 57 GLN CB C 52 28.656 28.829 -0.173 1
2 705 . 17 1 1 A 57 57 GLN C C 52 175.872 177.001 -1.129 1
2 706 . 17 1 1 A 58 58 ARG N N 53 120.525 115.422 5.103 1
2 707 . 17 1 1 A 58 58 ARG H H 53 8.279 7.879 0.400 1
2 708 . 17 1 1 A 58 58 ARG CA C 53 55.883 55.188 0.695 1
2 709 . 17 1 1 A 58 58 ARG HA H 53 4.176 4.508 -0.332 1
2 710 . 17 1 1 A 58 58 ARG CB C 53 30.031 30.105 -0.074 1
2 721 . 17 1 1 A 58 58 ARG C C 53 175.820 175.248 0.572 1
2 722 . 17 1 1 A 59 59 HIS N N 54 118.905 119.079 -0.174 1
2 723 . 17 1 1 A 59 59 HIS H H 54 8.398 8.212 0.186 1
2 724 . 17 1 1 A 59 59 HIS CA C 54 54.908 54.436 0.472 1
2 725 . 17 1 1 A 59 59 HIS HA H 54 4.548 4.766 -0.218 1
2 726 . 17 1 1 A 59 59 HIS CB C 54 28.953 29.944 -0.991 1
2 729 . 17 1 1 A 59 59 HIS C C 54 174.136 174.233 -0.097 1
2 730 . 17 1 1 A 60 60 HIS N N 55 119.527 122.124 -2.597 1
2 731 . 17 1 1 A 60 60 HIS H H 55 8.493 8.897 -0.404 1
2 732 . 17 1 1 A 60 60 HIS CA C 55 55.274 55.989 -0.715 1
2 733 . 17 1 1 A 60 60 HIS HA H 55 4.552 3.957 0.595 1
2 734 . 17 1 1 A 60 60 HIS CB C 55 28.913 29.213 -0.300 1
2 737 . 17 1 1 A 60 60 HIS C C 55 174.595 174.643 -0.048 1
2 738 . 17 1 1 A 61 61 GLY N N 56 110.215 107.177 3.038 1
2 739 . 17 1 1 A 61 61 GLY H H 56 8.604 7.797 0.807 1
2 740 . 17 1 1 A 61 61 GLY CA C 56 44.977 45.028 -0.051 1
2 741 . 17 1 1 A 61 61 GLY HA2 H 56 3.956 3.779 0.177 1
2 742 . 17 1 1 A 61 61 GLY HA3 H 56 3.831 3.872 -0.041 1
2 743 . 17 1 1 A 61 61 GLY C C 56 173.752 174.578 -0.826 1
2 744 . 17 1 1 A 62 62 TRP N N 57 120.700 118.078 2.622 1
2 745 . 17 1 1 A 62 62 TRP H H 57 8.175 7.160 1.015 1
2 746 . 17 1 1 A 62 62 TRP CA C 57 56.929 58.030 -1.101 1
2 747 . 17 1 1 A 62 62 TRP HA H 57 4.663 4.771 -0.108 1
2 748 . 17 1 1 A 62 62 TRP CB C 57 29.142 30.718 -1.576 1
2 763 . 17 1 1 A 62 62 TRP C C 57 176.442 177.100 -0.658 1
2 764 . 17 1 1 A 63 63 GLY N N 58 110.195 108.504 1.691 1
2 765 . 17 1 1 A 63 63 GLY H H 58 8.452 8.558 -0.106 1
2 766 . 17 1 1 A 63 63 GLY CA C 58 45.052 46.903 -1.851 1
2 767 . 17 1 1 A 63 63 GLY HA2 H 58 3.925 3.980 -0.055 1
2 768 . 17 1 1 A 63 63 GLY HA3 H 58 3.833 4.078 -0.245 1
2 769 . 17 1 1 A 63 63 GLY C C 58 173.738 174.441 -0.703 1
2 770 . 17 1 1 A 64 64 ARG N N 59 120.374 119.061 1.313 1
2 771 . 17 1 1 A 64 64 ARG H H 59 8.136 8.487 -0.351 1
2 772 . 17 1 1 A 64 64 ARG CA C 59 55.799 57.063 -1.264 1
2 773 . 17 1 1 A 64 64 ARG HA H 59 4.287 4.167 0.120 1
2 774 . 17 1 1 A 64 64 ARG CB C 59 30.371 28.142 2.229 1
2 785 . 17 1 1 A 64 64 ARG C C 59 176.287 176.374 -0.087 1
2 786 . 17 1 1 A 65 65 LYS N N 60 121.593 118.956 2.637 1
2 787 . 17 1 1 A 65 65 LYS H H 60 8.483 8.621 -0.138 1
2 788 . 17 1 1 A 65 65 LYS CA C 60 56.353 57.140 -0.787 1
2 789 . 17 1 1 A 65 65 LYS HA H 60 4.218 4.013 0.205 1
2 790 . 17 1 1 A 65 65 LYS CB C 60 32.260 30.854 1.406 1
2 796 . 17 1 1 A 65 65 LYS C C 60 176.102 176.668 -0.566 1
2 797 . 17 1 1 A 66 66 ASN N N 61 118.654 120.068 -1.414 1
2 798 . 17 1 1 A 66 66 ASN H H 61 8.413 8.547 -0.134 1
2 799 . 17 1 1 A 66 66 ASN CA C 61 53.055 52.901 0.154 1
2 800 . 17 1 1 A 66 66 ASN HA H 61 4.639 4.842 -0.203 1
2 801 . 17 1 1 A 66 66 ASN CB C 61 38.385 38.546 -0.161 1
2 808 . 17 1 1 A 66 66 ASN C C 61 174.531 174.854 -0.323 1
2 809 . 17 1 1 A 67 67 SER N N 62 115.491 112.659 2.832 1
2 810 . 17 1 1 A 67 67 SER H H 62 8.288 8.071 0.217 1
2 811 . 17 1 1 A 67 67 SER CA C 62 57.980 59.685 -1.705 1
2 812 . 17 1 1 A 67 67 SER HA H 62 4.283 4.143 0.140 1
2 813 . 17 1 1 A 67 67 SER CB C 62 63.205 62.452 0.753 1
2 816 . 17 1 1 A 67 67 SER C C 62 173.864 175.126 -1.262 1
2 817 . 17 1 1 A 68 68 LEU N N 63 123.549 117.296 6.253 1
2 818 . 17 1 1 A 68 68 LEU H H 63 8.063 7.910 0.153 1
2 819 . 17 1 1 A 68 68 LEU CA C 63 54.098 53.909 0.189 1
2 820 . 17 1 1 A 68 68 LEU HA H 63 4.481 4.648 -0.167 1
2 821 . 17 1 1 A 68 68 LEU CB C 63 42.494 42.636 -0.142 1
2 834 . 17 1 1 A 68 68 LEU C C 63 176.532 175.594 0.938 1
2 835 . 17 1 1 A 69 69 THR N N 64 112.637 110.358 2.279 1
2 836 . 17 1 1 A 69 69 THR H H 64 7.797 7.419 0.378 1
2 837 . 17 1 1 A 69 69 THR CA C 64 59.915 59.188 0.727 1
2 838 . 17 1 1 A 69 69 THR HA H 64 4.490 4.833 -0.343 1
2 839 . 17 1 1 A 69 69 THR CB C 64 70.852 72.375 -1.523 1
2 845 . 17 1 1 A 69 69 THR C C 64 174.998 174.927 0.071 1
2 846 . 17 1 1 A 70 70 LYS N N 65 120.128 120.417 -0.289 1
2 847 . 17 1 1 A 70 70 LYS H H 65 9.059 8.868 0.191 1
2 848 . 17 1 1 A 70 70 LYS CA C 65 59.535 59.079 0.456 1
2 849 . 17 1 1 A 70 70 LYS HA H 65 3.909 3.988 -0.079 1
2 850 . 17 1 1 A 70 70 LYS CB C 65 31.890 31.879 0.011 1
2 858 . 17 1 1 A 70 70 LYS C C 65 177.536 178.439 -0.903 1
2 859 . 17 1 1 A 71 71 GLU N N 66 117.667 119.586 -1.919 1
2 860 . 17 1 1 A 71 71 GLU H H 66 8.699 8.649 0.050 1
2 861 . 17 1 1 A 71 71 GLU CA C 66 60.199 59.228 0.971 1
2 862 . 17 1 1 A 71 71 GLU HA H 66 3.806 4.031 -0.225 1
2 863 . 17 1 1 A 71 71 GLU CB C 66 27.986 29.649 -1.663 1
2 870 . 17 1 1 A 71 71 GLU C C 66 178.416 179.297 -0.881 1
2 871 . 17 1 1 A 72 72 ALA N N 67 123.924 122.793 1.131 1
2 872 . 17 1 1 A 72 72 ALA H H 67 7.992 7.656 0.336 1
2 873 . 17 1 1 A 72 72 ALA CA C 67 54.477 54.803 -0.326 1
2 874 . 17 1 1 A 72 72 ALA HA H 67 4.110 4.061 0.049 1
2 878 . 17 1 1 A 72 72 ALA CB C 67 18.301 18.807 -0.506 1
2 879 . 17 1 1 A 72 72 ALA C C 67 178.721 179.528 -0.807 1
2 880 . 17 1 1 A 73 73 VAL N N 68 119.434 118.311 1.123 1
2 881 . 17 1 1 A 73 73 VAL H H 68 8.044 7.926 0.118 1
2 882 . 17 1 1 A 73 73 VAL CA C 68 66.089 66.555 -0.466 1
2 883 . 17 1 1 A 73 73 VAL HA H 68 3.473 3.542 -0.069 1
2 884 . 17 1 1 A 73 73 VAL CB C 68 31.150 31.585 -0.435 1
2 894 . 17 1 1 A 73 73 VAL C C 68 177.001 178.372 -1.371 1
2 895 . 17 1 1 A 74 74 ALA N N 69 120.671 121.364 -0.693 1
2 896 . 17 1 1 A 74 74 ALA H H 69 8.407 8.056 0.351 1
2 897 . 17 1 1 A 74 74 ALA CA C 69 54.727 55.036 -0.309 1
2 898 . 17 1 1 A 74 74 ALA HA H 69 3.968 4.113 -0.145 1
2 902 . 17 1 1 A 74 74 ALA CB C 69 18.066 18.206 -0.140 1
2 903 . 17 1 1 A 74 74 ALA C C 69 178.820 179.782 -0.962 1
2 904 . 17 1 1 A 75 75 LYS N N 70 118.624 118.162 0.462 1
2 905 . 17 1 1 A 75 75 LYS H H 70 7.930 7.888 0.042 1
2 906 . 17 1 1 A 75 75 LYS CA C 70 58.807 59.783 -0.976 1
2 907 . 17 1 1 A 75 75 LYS HA H 70 4.086 4.045 0.041 1
2 908 . 17 1 1 A 75 75 LYS CB C 70 31.776 32.321 -0.545 1
2 918 . 17 1 1 A 75 75 LYS C C 70 177.424 179.103 -1.679 1
2 919 . 17 1 1 A 76 76 ILE N N 71 120.234 119.837 0.397 1
2 920 . 17 1 1 A 76 76 ILE H H 71 7.478 7.811 -0.333 1
2 921 . 17 1 1 A 76 76 ILE CA C 71 64.885 64.687 0.198 1
2 922 . 17 1 1 A 76 76 ILE HA H 71 3.960 3.745 0.215 1
2 923 . 17 1 1 A 76 76 ILE CB C 71 37.810 37.331 0.479 1
2 936 . 17 1 1 A 76 76 ILE C C 71 179.734 178.307 1.427 1
2 937 . 17 1 1 A 77 77 VAL N N 72 122.502 119.885 2.617 1
2 938 . 17 1 1 A 77 77 VAL H H 72 8.325 7.975 0.350 1
2 939 . 17 1 1 A 77 77 VAL CA C 72 67.450 66.693 0.757 1
2 940 . 17 1 1 A 77 77 VAL HA H 72 3.576 3.516 0.060 1
2 941 . 17 1 1 A 77 77 VAL CB C 72 30.928 31.453 -0.525 1
2 951 . 17 1 1 A 77 77 VAL C C 72 176.906 178.180 -1.274 1
2 952 . 17 1 1 A 78 78 ASP N N 73 120.524 120.437 0.087 1
2 953 . 17 1 1 A 78 78 ASP H H 73 8.798 8.281 0.517 1
2 954 . 17 1 1 A 78 78 ASP CA C 73 58.206 57.610 0.596 1
2 955 . 17 1 1 A 78 78 ASP HA H 73 4.379 4.465 -0.086 1
2 956 . 17 1 1 A 78 78 ASP CB C 73 41.420 41.441 -0.021 1
2 960 . 17 1 1 A 78 78 ASP C C 73 178.068 178.486 -0.418 1
2 961 . 17 1 1 A 79 79 ASP N N 74 119.761 119.708 0.053 1
2 962 . 17 1 1 A 79 79 ASP H H 74 9.318 8.184 1.134 1
2 963 . 17 1 1 A 79 79 ASP CA C 74 57.025 57.316 -0.291 1
2 964 . 17 1 1 A 79 79 ASP HA H 74 4.404 4.359 0.045 1
2 965 . 17 1 1 A 79 79 ASP CB C 74 40.007 40.774 -0.767 1
2 969 . 17 1 1 A 79 79 ASP C C 74 178.813 178.656 0.157 1
2 970 . 17 1 1 A 80 80 THR N N 75 117.342 116.917 0.425 1
2 971 . 17 1 1 A 80 80 THR H H 75 8.084 8.545 -0.461 1
2 972 . 17 1 1 A 80 80 THR CA C 75 66.977 66.671 0.306 1
2 973 . 17 1 1 A 80 80 THR HA H 75 3.826 3.974 -0.148 1
2 974 . 17 1 1 A 80 80 THR CB C 75 67.725 68.171 -0.446 1
2 980 . 17 1 1 A 80 80 THR C C 75 175.367 176.064 -0.697 1
2 981 . 17 1 1 A 81 81 TYR N N 76 123.732 121.393 2.339 1
2 982 . 17 1 1 A 81 81 TYR H H 76 8.830 8.314 0.516 1
2 983 . 17 1 1 A 81 81 TYR CA C 76 61.713 61.978 -0.265 1
2 984 . 17 1 1 A 81 81 TYR HA H 76 4.265 4.422 -0.157 1
2 985 . 17 1 1 A 81 81 TYR CB C 76 38.849 38.819 0.030 1
2 994 . 17 1 1 A 81 81 TYR C C 76 176.700 177.415 -0.715 1
2 995 . 17 1 1 A 82 82 ARG N N 77 118.508 119.860 -1.352 1
2 996 . 17 1 1 A 82 82 ARG H H 77 8.754 8.830 -0.076 1
2 997 . 17 1 1 A 82 82 ARG CA C 77 58.792 58.771 0.021 1
2 998 . 17 1 1 A 82 82 ARG HA H 77 3.890 4.016 -0.126 1
2 999 . 17 1 1 A 82 82 ARG CB C 77 29.498 30.307 -0.809 1
2 1015 . 17 1 1 A 82 82 ARG C C 77 178.748 177.880 0.868 1
2 1016 . 17 1 1 A 83 83 LYS N N 78 118.079 118.585 -0.506 1
2 1017 . 17 1 1 A 83 83 LYS H H 78 7.696 8.058 -0.362 1
2 1018 . 17 1 1 A 83 83 LYS CA C 78 58.671 58.722 -0.051 1
2 1019 . 17 1 1 A 83 83 LYS HA H 78 4.024 4.151 -0.127 1
2 1020 . 17 1 1 A 83 83 LYS CB C 78 32.057 32.003 0.054 1
2 1026 . 17 1 1 A 83 83 LYS C C 78 177.743 179.203 -1.460 1
2 1027 . 17 1 1 A 84 84 MET N N 79 118.241 119.266 -1.025 1
2 1028 . 17 1 1 A 84 84 MET H H 79 7.748 8.143 -0.395 1
2 1029 . 17 1 1 A 84 84 MET CA C 79 57.209 58.735 -1.526 1
2 1030 . 17 1 1 A 84 84 MET HA H 79 4.170 4.208 -0.038 1
2 1031 . 17 1 1 A 84 84 MET CB C 79 32.320 33.519 -1.199 1
2 1041 . 17 1 1 A 84 84 MET C C 79 177.036 177.418 -0.382 1
2 1042 . 17 1 1 A 85 85 GLN N N 80 117.242 113.535 3.707 1
2 1043 . 17 1 1 A 85 85 GLN H H 80 7.843 7.301 0.542 1
2 1044 . 17 1 1 A 85 85 GLN CA C 80 56.523 54.667 1.856 1
2 1045 . 17 1 1 A 85 85 GLN HA H 80 3.993 4.475 -0.482 1
2 1046 . 17 1 1 A 85 85 GLN CB C 80 28.240 29.556 -1.316 1
2 1056 . 17 1 1 A 85 85 GLN C C 80 176.690 175.384 1.306 1
2 1057 . 17 1 1 A 86 86 ILE N N 81 119.178 116.331 2.847 1
2 1058 . 17 1 1 A 86 86 ILE H H 81 7.715 7.714 0.001 1
2 1059 . 17 1 1 A 86 86 ILE CA C 81 62.073 61.861 0.212 1
2 1060 . 17 1 1 A 86 86 ILE HA H 81 3.934 3.679 0.255 1
2 1061 . 17 1 1 A 86 86 ILE CB C 81 37.966 36.700 1.266 1
2 1074 . 17 1 1 A 86 86 ILE C C 81 176.673 174.454 2.219 1
2 1075 . 17 1 1 A 87 87 GLN N N 82 121.386 122.068 -0.682 1
2 1076 . 17 1 1 A 87 87 GLN H H 82 8.164 7.878 0.286 1
2 1077 . 17 1 1 A 87 87 GLN CA C 82 55.968 54.437 1.531 1
2 1078 . 17 1 1 A 87 87 GLN HA H 82 4.214 4.351 -0.137 1
2 1079 . 17 1 1 A 87 87 GLN CB C 82 28.735 30.518 -1.783 1
2 1088 . 17 1 1 A 87 87 GLN C C 82 175.836 175.612 0.224 1
2 1089 . 17 1 1 A 88 88 CYS N N 83 118.663 121.539 -2.876 1
2 1090 . 17 1 1 A 88 88 CYS H H 83 8.238 8.587 -0.349 1
2 1091 . 17 1 1 A 88 88 CYS CA C 83 57.997 58.235 -0.238 1
2 1092 . 17 1 1 A 88 88 CYS HA H 83 4.467 4.477 -0.010 1
2 1093 . 17 1 1 A 88 88 CYS CB C 83 27.582 26.032 1.550 1
2 1096 . 17 1 1 A 88 88 CYS C C 83 173.432 174.476 -1.044 1
2 1097 . 17 1 1 A 89 89 ALA N N 84 127.014 127.342 -0.328 1
2 1098 . 17 1 1 A 89 89 ALA H H 84 8.249 8.293 -0.044 1
2 1099 . 17 1 1 A 89 89 ALA CA C 84 50.607 50.566 0.041 1
2 1100 . 17 1 1 A 89 89 ALA HA H 84 4.544 4.246 0.298 1
2 1104 . 17 1 1 A 89 89 ALA CB C 84 17.658 19.735 -2.077 1
2 1105 . 17 1 1 A 89 89 ALA C C 84 175.125 177.533 -2.408 1
2 1107 . 17 1 1 A 90 90 PRO CA C 85 62.995 63.632 -0.637 1
2 1108 . 17 1 1 A 90 90 PRO HA H 85 4.373 4.390 -0.017 1
2 1109 . 17 1 1 A 90 90 PRO CB C 85 31.692 32.015 -0.323 1
2 1117 . 17 1 1 A 90 90 PRO C C 85 176.407 177.007 -0.600 1
2 1118 . 17 1 1 A 91 91 ASP N N 86 119.209 118.730 0.479 1
2 1119 . 17 1 1 A 91 91 ASP H H 86 8.429 8.056 0.373 1
2 1120 . 17 1 1 A 91 91 ASP CA C 86 53.752 54.793 -1.041 1
2 1121 . 17 1 1 A 91 91 ASP HA H 86 4.394 4.353 0.041 1
2 1122 . 17 1 1 A 91 91 ASP CB C 86 40.319 39.188 1.131 1
2 1125 . 17 1 1 A 91 91 ASP C C 86 176.101 176.013 0.088 1
2 1126 . 17 1 1 A 92 92 LEU N N 87 122.571 122.199 0.372 1
2 1127 . 17 1 1 A 92 92 LEU H H 87 8.208 7.878 0.330 1
2 1128 . 17 1 1 A 92 92 LEU CA C 87 55.286 58.222 -2.936 1
2 1129 . 17 1 1 A 92 92 LEU HA H 87 4.204 3.808 0.396 1
2 1130 . 17 1 1 A 92 92 LEU CB C 87 41.786 42.022 -0.236 1
2 1143 . 17 1 1 A 92 92 LEU C C 87 177.406 177.970 -0.564 1
2 1144 . 17 1 1 A 93 93 ALA N N 88 123.131 117.483 5.648 1
2 1145 . 17 1 1 A 93 93 ALA H H 88 8.305 7.672 0.633 1
2 1146 . 17 1 1 A 93 93 ALA CA C 88 52.876 51.456 1.420 1
2 1147 . 17 1 1 A 93 93 ALA HA H 88 4.263 4.603 -0.340 1
2 1151 . 17 1 1 A 93 93 ALA CB C 88 18.672 19.665 -0.993 1
2 1152 . 17 1 1 A 93 93 ALA C C 88 178.033 177.818 0.215 1
2 1153 . 17 1 1 A 94 94 THR N N 89 112.097 107.519 4.578 1
2 1154 . 17 1 1 A 94 94 THR H H 89 7.994 8.523 -0.529 1
2 1155 . 17 1 1 A 94 94 THR CA C 89 61.640 66.088 -4.448 1
2 1156 . 17 1 1 A 94 94 THR HA H 89 4.251 3.922 0.329 1
2 1157 . 17 1 1 A 94 94 THR CB C 89 69.063 66.958 2.105 1
2 1163 . 17 1 1 A 94 94 THR C C 89 174.493 173.999 0.494 1
2 1164 . 17 1 1 A 95 95 ARG N N 90 122.704 118.979 3.725 1
2 1165 . 17 1 1 A 95 95 ARG H H 90 8.211 8.603 -0.392 1
2 1166 . 17 1 1 A 95 95 ARG CA C 90 55.718 55.079 0.639 1
2 1167 . 17 1 1 A 95 95 ARG HA H 90 4.324 4.367 -0.043 1
2 1168 . 17 1 1 A 95 95 ARG CB C 90 30.309 31.074 -0.765 1
2 1179 . 17 1 1 A 95 95 ARG C C 90 175.927 174.442 1.485 1
2 1180 . 17 1 1 A 96 96 SER N N 91 116.390 115.614 0.776 1
2 1181 . 17 1 1 A 96 96 SER H H 91 8.365 7.399 0.966 1
2 1182 . 17 1 1 A 96 96 SER CA C 91 57.823 58.030 -0.207 1
2 1183 . 17 1 1 A 96 96 SER HA H 91 4.356 4.692 -0.336 1
2 1184 . 17 1 1 A 96 96 SER CB C 91 63.214 65.261 -2.047 1
2 1187 . 17 1 1 A 96 96 SER C C 91 174.011 174.063 -0.052 1
2 1188 . 17 1 1 A 97 97 HIS N N 92 120.507 126.455 -5.948 1
2 1189 . 17 1 1 A 97 97 HIS H H 92 8.541 8.689 -0.148 1
2 1190 . 17 1 1 A 97 97 HIS CA C 92 54.960 57.684 -2.724 1
2 1191 . 17 1 1 A 97 97 HIS HA H 92 4.704 4.611 0.093 1
2 1192 . 17 1 1 A 97 97 HIS CB C 92 28.518 31.459 -2.941 1
2 1197 . 17 1 1 A 97 97 HIS C C 92 174.186 174.849 -0.663 1
2 1198 . 17 1 1 A 98 98 SER N N 93 116.801 112.657 4.144 1
2 1199 . 17 1 1 A 98 98 SER H H 93 8.455 7.937 0.518 1
2 1200 . 17 1 1 A 98 98 SER CA C 93 57.880 56.958 0.922 1
2 1201 . 17 1 1 A 98 98 SER HA H 93 4.445 4.668 -0.223 1
2 1202 . 17 1 1 A 98 98 SER CB C 93 63.434 63.665 -0.231 1
2 1205 . 17 1 1 A 98 98 SER C C 93 174.508 173.428 1.080 1
2 1206 . 17 1 1 A 99 99 GLY N N 94 111.114 115.234 -4.120 1
2 1207 . 17 1 1 A 99 99 GLY H H 94 8.597 8.300 0.297 1
2 1208 . 17 1 1 A 99 99 GLY CA C 94 44.888 45.193 -0.305 1
2 1209 . 17 1 1 A 99 99 GLY HA2 H 94 3.998 4.168 -0.170 1
2 1210 . 17 1 1 A 99 99 GLY HA3 H 94 3.998 4.232 -0.234 1
2 1211 . 17 1 1 A 99 99 GLY C C 94 173.856 174.877 -1.021 1
2 1212 . 17 1 1 A 100 100 SER N N 95 115.398 115.804 -0.406 1
2 1213 . 17 1 1 A 100 100 SER H H 95 8.311 7.754 0.557 1
2 1214 . 17 1 1 A 100 100 SER CA C 95 57.888 57.351 0.537 1
2 1215 . 17 1 1 A 100 100 SER HA H 95 4.408 4.735 -0.327 1
2 1216 . 17 1 1 A 100 100 SER CB C 95 63.328 64.493 -1.165 1
2 1219 . 17 1 1 A 100 100 SER C C 95 173.725 174.193 -0.468 1
2 1220 . 17 1 1 A 101 101 ASP N N 96 121.810 117.600 4.210 1
2 1221 . 17 1 1 A 101 101 ASP H H 96 8.380 8.286 0.094 1
2 1222 . 17 1 1 A 101 101 ASP CA C 96 53.813 55.378 -1.565 1
2 1223 . 17 1 1 A 101 101 ASP HA H 96 4.536 4.161 0.375 1
2 1224 . 17 1 1 A 101 101 ASP CB C 96 40.438 38.979 1.459 1
2 1227 . 17 1 1 A 101 101 ASP C C 96 175.524 176.057 -0.533 1
2 1228 . 17 1 1 A 102 102 PHE N N 97 120.706 116.505 4.201 1
2 1229 . 17 1 1 A 102 102 PHE H H 97 8.249 8.657 -0.408 1
2 1230 . 17 1 1 A 102 102 PHE CA C 97 57.323 58.984 -1.661 1
2 1231 . 17 1 1 A 102 102 PHE HA H 97 4.527 4.133 0.394 1
2 1232 . 17 1 1 A 102 102 PHE CB C 97 38.989 37.987 1.002 1
2 1238 . 17 1 1 A 102 102 PHE C C 97 175.246 174.271 0.975 1
2 1239 . 17 1 1 A 103 103 SER N N 98 116.992 113.884 3.108 1
2 1240 . 17 1 1 A 103 103 SER H H 98 8.167 8.251 -0.084 1
2 1241 . 17 1 1 A 103 103 SER CA C 98 57.883 55.816 2.067 1
2 1242 . 17 1 1 A 103 103 SER HA H 98 4.317 4.726 -0.409 1
2 1243 . 17 1 1 A 103 103 SER CB C 98 63.301 66.011 -2.710 1
2 1246 . 17 1 1 A 103 103 SER C C 98 173.244 174.154 -0.910 1
2 1247 . 17 1 1 A 104 104 PHE N N 99 122.000 123.686 -1.686 1
2 1248 . 17 1 1 A 104 104 PHE H H 99 8.170 8.973 -0.803 1
2 1249 . 17 1 1 A 104 104 PHE CA C 99 57.236 58.580 -1.344 1
2 1250 . 17 1 1 A 104 104 PHE HA H 99 4.529 4.164 0.365 1
2 1251 . 17 1 1 A 104 104 PHE CB C 99 38.997 37.358 1.639 1
2 1257 . 17 1 1 A 104 104 PHE C C 99 174.632 175.119 -0.487 1
2 1258 . 17 1 1 A 105 105 ARG N N 100 124.796 119.398 5.398 1
2 1259 . 17 1 1 A 105 105 ARG H H 100 8.101 7.761 0.340 1
2 1260 . 17 1 1 A 105 105 ARG CA C 100 52.969 54.911 -1.942 1
2 1261 . 17 1 1 A 105 105 ARG HA H 100 4.516 4.319 0.197 1
2 1262 . 17 1 1 A 105 105 ARG CB C 100 30.069 29.907 0.162 1
2 1271 . 17 1 1 A 105 105 ARG C C 100 172.924 174.462 -1.538 1
2 1273 . 17 1 1 A 106 106 PRO CA C 101 62.673 62.675 -0.002 1
2 1274 . 17 1 1 A 106 106 PRO HA H 101 4.351 4.641 -0.290 1
2 1275 . 17 1 1 A 106 106 PRO CB C 101 31.726 30.711 1.015 1
2 1283 . 17 1 1 A 106 106 PRO C C 101 176.395 175.976 0.419 1
2 1284 . 17 1 1 A 107 107 ILE N N 102 121.380 123.968 -2.588 1
2 1285 . 17 1 1 A 107 107 ILE H H 102 8.350 8.130 0.220 1
2 1286 . 17 1 1 A 107 107 ILE CA C 102 60.940 60.282 0.658 1
2 1287 . 17 1 1 A 107 107 ILE HA H 102 4.039 4.533 -0.494 1
2 1288 . 17 1 1 A 107 107 ILE CB C 102 38.204 39.149 -0.945 1
2 1301 . 17 1 1 A 107 107 ILE C C 102 175.990 176.380 -0.390 1
2 1302 . 17 1 1 A 108 108 GLU N N 103 124.836 124.191 0.645 1
2 1303 . 17 1 1 A 108 108 GLU H H 103 8.578 8.051 0.527 1
2 1304 . 17 1 1 A 108 108 GLU CA C 103 55.883 59.568 -3.685 1
2 1305 . 17 1 1 A 108 108 GLU HA H 103 4.280 4.009 0.271 1
2 1306 . 17 1 1 A 108 108 GLU CB C 103 29.902 29.764 0.138 1
2 1312 . 17 1 1 A 108 108 GLU C C 103 175.670 177.672 -2.002 1
2 1313 . 17 1 1 A 109 109 GLU N N 104 122.847 119.180 3.667 1
2 1314 . 17 1 1 A 109 109 GLU H H 104 8.459 7.726 0.733 1
2 1315 . 17 1 1 A 109 109 GLU CA C 104 55.902 55.919 -0.017 1
2 1316 . 17 1 1 A 109 109 GLU HA H 104 4.267 4.342 -0.075 1
2 1317 . 17 1 1 A 109 109 GLU CB C 104 29.985 28.665 1.320 1
2 1322 . 17 1 1 A 109 109 GLU C C 104 174.661 175.242 -0.581 1
2 3 . 18 1 1 A 2 2 SER N N -4 115.528 120.852 -5.324 1
2 4 . 18 1 1 A 2 2 SER H H -4 8.751 8.547 0.204 1
2 5 . 18 1 1 A 2 2 SER CA C -4 57.687 58.025 -0.338 1
2 6 . 18 1 1 A 2 2 SER HA H -4 4.451 4.457 -0.006 1
2 7 . 18 1 1 A 2 2 SER CB C -4 63.389 63.276 0.113 1
2 8 . 18 1 1 A 2 2 SER C C -4 173.913 173.002 0.911 1
2 9 . 18 1 1 A 3 3 HIS N N -3 120.998 115.866 5.132 1
2 10 . 18 1 1 A 3 3 HIS H H -3 8.769 7.877 0.892 1
2 11 . 18 1 1 A 3 3 HIS CA C -3 55.010 56.873 -1.863 1
2 12 . 18 1 1 A 3 3 HIS HA H -3 4.707 4.208 0.499 1
2 13 . 18 1 1 A 3 3 HIS CB C -3 28.916 26.657 2.259 1
2 16 . 18 1 1 A 3 3 HIS C C -3 174.207 174.209 -0.002 1
2 17 . 18 1 1 A 4 4 MET N N -2 122.227 117.102 5.125 1
2 18 . 18 1 1 A 4 4 MET H H -2 8.518 7.662 0.856 1
2 19 . 18 1 1 A 4 4 MET CA C -2 55.014 54.809 0.205 1
2 20 . 18 1 1 A 4 4 MET HA H -2 4.418 4.749 -0.331 1
2 21 . 18 1 1 A 4 4 MET CB C -2 32.678 33.346 -0.668 1
2 31 . 18 1 1 A 4 4 MET C C -2 175.481 174.523 0.958 1
2 49 . 18 1 1 A 7 7 ALA N N 2 124.549 123.592 0.957 1
2 50 . 18 1 1 A 7 7 ALA H H 2 8.453 8.119 0.334 1
2 51 . 18 1 1 A 7 7 ALA CA C 2 53.221 54.465 -1.244 1
2 52 . 18 1 1 A 7 7 ALA HA H 2 4.194 4.088 0.106 1
2 56 . 18 1 1 A 7 7 ALA CB C 2 18.431 18.213 0.218 1
2 57 . 18 1 1 A 7 7 ALA C C 2 178.162 178.890 -0.728 1
2 58 . 18 1 1 A 8 8 ASP N N 3 118.618 118.692 -0.074 1
2 59 . 18 1 1 A 8 8 ASP H H 3 8.064 7.857 0.207 1
2 60 . 18 1 1 A 8 8 ASP CA C 3 54.124 56.892 -2.768 1
2 61 . 18 1 1 A 8 8 ASP HA H 3 4.539 4.314 0.225 1
2 62 . 18 1 1 A 8 8 ASP CB C 3 40.341 40.925 -0.584 1
2 65 . 18 1 1 A 8 8 ASP C C 3 176.694 178.180 -1.486 1
2 66 . 18 1 1 A 9 9 LEU N N 4 123.427 120.421 3.006 1
2 67 . 18 1 1 A 9 9 LEU H H 4 8.202 7.815 0.387 1
2 68 . 18 1 1 A 9 9 LEU CA C 4 57.495 57.875 -0.380 1
2 69 . 18 1 1 A 9 9 LEU HA H 4 4.086 4.149 -0.063 1
2 70 . 18 1 1 A 9 9 LEU CB C 4 41.905 41.647 0.258 1
2 82 . 18 1 1 A 9 9 LEU C C 4 178.839 178.647 0.192 1
2 83 . 18 1 1 A 10 10 VAL N N 5 119.385 119.184 0.201 1
2 84 . 18 1 1 A 10 10 VAL H H 5 8.186 8.359 -0.173 1
2 85 . 18 1 1 A 10 10 VAL CA C 5 66.585 66.728 -0.143 1
2 86 . 18 1 1 A 10 10 VAL HA H 5 3.420 3.520 -0.100 1
2 87 . 18 1 1 A 10 10 VAL CB C 5 31.177 31.502 -0.325 1
2 97 . 18 1 1 A 10 10 VAL C C 5 177.439 177.629 -0.190 1
2 98 . 18 1 1 A 11 11 SER N N 6 115.027 115.836 -0.809 1
2 99 . 18 1 1 A 11 11 SER H H 6 8.252 8.064 0.188 1
2 100 . 18 1 1 A 11 11 SER CA C 6 61.152 62.109 -0.957 1
2 101 . 18 1 1 A 11 11 SER HA H 6 4.055 4.123 -0.068 1
2 102 . 18 1 1 A 11 11 SER CB C 6 62.161 62.712 -0.551 1
2 105 . 18 1 1 A 11 11 SER C C 6 176.036 176.280 -0.244 1
2 106 . 18 1 1 A 12 12 SER N N 7 115.144 115.479 -0.335 1
2 107 . 18 1 1 A 12 12 SER H H 7 8.053 8.306 -0.253 1
2 108 . 18 1 1 A 12 12 SER CA C 7 60.168 61.447 -1.279 1
2 109 . 18 1 1 A 12 12 SER HA H 7 4.284 4.129 0.155 1
2 110 . 18 1 1 A 12 12 SER CB C 7 62.706 62.547 0.159 1
2 113 . 18 1 1 A 12 12 SER C C 7 176.540 176.827 -0.287 1
2 114 . 18 1 1 A 13 13 CYS N N 8 118.211 119.709 -1.498 1
2 115 . 18 1 1 A 13 13 CYS H H 8 7.919 8.627 -0.708 1
2 116 . 18 1 1 A 13 13 CYS CA C 8 63.651 63.991 -0.340 1
2 117 . 18 1 1 A 13 13 CYS HA H 8 4.026 4.124 -0.098 1
2 118 . 18 1 1 A 13 13 CYS CB C 8 26.641 26.982 -0.341 1
2 121 . 18 1 1 A 13 13 CYS C C 8 175.645 177.063 -1.418 1
2 122 . 18 1 1 A 14 14 LYS N N 9 120.074 121.521 -1.447 1
2 123 . 18 1 1 A 14 14 LYS H H 9 8.632 8.127 0.505 1
2 124 . 18 1 1 A 14 14 LYS CA C 9 60.441 59.550 0.891 1
2 125 . 18 1 1 A 14 14 LYS HA H 9 3.672 4.037 -0.365 1
2 126 . 18 1 1 A 14 14 LYS CB C 9 31.685 32.124 -0.439 1
2 138 . 18 1 1 A 14 14 LYS C C 9 177.615 178.025 -0.410 1
2 139 . 18 1 1 A 15 15 ASP N N 10 117.613 119.526 -1.913 1
2 140 . 18 1 1 A 15 15 ASP H H 10 7.732 8.131 -0.399 1
2 141 . 18 1 1 A 15 15 ASP CA C 10 56.175 57.533 -1.358 1
2 142 . 18 1 1 A 15 15 ASP HA H 10 4.307 4.264 0.043 1
2 143 . 18 1 1 A 15 15 ASP CB C 10 40.056 41.652 -1.596 1
2 146 . 18 1 1 A 15 15 ASP C C 10 177.650 178.679 -1.029 1
2 147 . 18 1 1 A 16 16 LYS N N 11 117.878 119.337 -1.459 1
2 148 . 18 1 1 A 16 16 LYS H H 11 7.254 7.862 -0.608 1
2 149 . 18 1 1 A 16 16 LYS CA C 11 58.962 59.422 -0.460 1
2 150 . 18 1 1 A 16 16 LYS HA H 11 3.645 4.026 -0.381 1
2 151 . 18 1 1 A 16 16 LYS CB C 11 32.951 32.226 0.725 1
2 160 . 18 1 1 A 16 16 LYS C C 11 177.263 178.676 -1.413 1
2 161 . 18 1 1 A 17 17 LEU N N 12 115.652 121.884 -6.232 1
2 162 . 18 1 1 A 17 17 LEU H H 12 8.138 8.469 -0.331 1
2 163 . 18 1 1 A 17 17 LEU CA C 12 56.726 58.065 -1.339 1
2 164 . 18 1 1 A 17 17 LEU HA H 12 3.579 4.155 -0.576 1
2 165 . 18 1 1 A 17 17 LEU CB C 12 41.959 41.226 0.733 1
2 176 . 18 1 1 A 17 17 LEU C C 12 177.485 178.642 -1.157 1
2 177 . 18 1 1 A 18 18 ALA N N 13 116.044 120.989 -4.945 1
2 178 . 18 1 1 A 18 18 ALA H H 13 7.080 8.611 -1.531 1
2 179 . 18 1 1 A 18 18 ALA CA C 13 53.389 55.040 -1.651 1
2 180 . 18 1 1 A 18 18 ALA HA H 13 3.963 4.125 -0.162 1
2 184 . 18 1 1 A 18 18 ALA CB C 13 18.161 18.436 -0.275 1
2 185 . 18 1 1 A 18 18 ALA C C 13 178.207 179.262 -1.055 1
2 186 . 18 1 1 A 19 19 TYR N N 14 115.556 119.653 -4.097 1
2 187 . 18 1 1 A 19 19 TYR H H 14 7.675 7.837 -0.162 1
2 188 . 18 1 1 A 19 19 TYR CA C 14 58.647 59.959 -1.312 1
2 189 . 18 1 1 A 19 19 TYR HA H 14 4.304 4.190 0.114 1
2 190 . 18 1 1 A 19 19 TYR CB C 14 38.609 39.010 -0.401 1
2 199 . 18 1 1 A 19 19 TYR C C 14 175.911 175.590 0.321 1
2 200 . 18 1 1 A 20 20 PHE N N 15 118.275 119.513 -1.238 1
2 201 . 18 1 1 A 20 20 PHE H H 15 7.406 7.775 -0.369 1
2 202 . 18 1 1 A 20 20 PHE CA C 15 56.615 56.914 -0.299 1
2 203 . 18 1 1 A 20 20 PHE HA H 15 4.649 4.834 -0.185 1
2 204 . 18 1 1 A 20 20 PHE CB C 15 38.750 40.642 -1.892 1
2 215 . 18 1 1 A 20 20 PHE C C 15 176.160 175.692 0.468 1
2 216 . 18 1 1 A 21 21 ARG N N 16 119.140 122.655 -3.515 1
2 217 . 18 1 1 A 21 21 ARG H H 16 8.714 8.728 -0.014 1
2 218 . 18 1 1 A 21 21 ARG CA C 16 54.349 56.439 -2.090 1
2 219 . 18 1 1 A 21 21 ARG HA H 16 4.751 4.345 0.406 1
2 220 . 18 1 1 A 21 21 ARG CB C 16 30.097 31.268 -1.171 1
2 236 . 18 1 1 A 21 21 ARG C C 16 177.095 177.821 -0.726 1
2 237 . 18 1 1 A 22 22 ILE N N 17 120.734 122.243 -1.509 1
2 238 . 18 1 1 A 22 22 ILE H H 17 8.708 8.823 -0.115 1
2 239 . 18 1 1 A 22 22 ILE CA C 17 65.145 64.735 0.410 1
2 240 . 18 1 1 A 22 22 ILE HA H 17 3.720 3.711 0.009 1
2 241 . 18 1 1 A 22 22 ILE CB C 17 36.857 37.682 -0.825 1
2 254 . 18 1 1 A 22 22 ILE C C 17 176.745 178.000 -1.255 1
2 255 . 18 1 1 A 23 23 LYS N N 18 118.184 121.257 -3.073 1
2 256 . 18 1 1 A 23 23 LYS H H 18 8.267 8.284 -0.017 1
2 257 . 18 1 1 A 23 23 LYS CA C 18 59.829 59.968 -0.139 1
2 258 . 18 1 1 A 23 23 LYS HA H 18 3.897 3.881 0.016 1
2 259 . 18 1 1 A 23 23 LYS CB C 18 32.268 32.241 0.027 1
2 271 . 18 1 1 A 23 23 LYS C C 18 178.159 178.967 -0.808 1
2 272 . 18 1 1 A 24 24 GLU N N 19 117.654 119.433 -1.779 1
2 273 . 18 1 1 A 24 24 GLU H H 19 7.198 8.003 -0.805 1
2 274 . 18 1 1 A 24 24 GLU CA C 19 60.612 59.110 1.502 1
2 275 . 18 1 1 A 24 24 GLU HA H 19 4.030 3.908 0.122 1
2 276 . 18 1 1 A 24 24 GLU CB C 19 28.859 29.478 -0.619 1
2 282 . 18 1 1 A 24 24 GLU C C 19 178.521 179.072 -0.551 1
2 283 . 18 1 1 A 25 25 LEU N N 20 119.236 120.387 -1.151 1
2 284 . 18 1 1 A 25 25 LEU H H 20 7.980 8.215 -0.235 1
2 285 . 18 1 1 A 25 25 LEU CA C 20 57.676 57.612 0.064 1
2 286 . 18 1 1 A 25 25 LEU HA H 20 3.904 3.930 -0.026 1
2 287 . 18 1 1 A 25 25 LEU CB C 20 42.218 41.778 0.440 1
2 294 . 18 1 1 A 25 25 LEU C C 20 177.990 178.751 -0.761 1
2 295 . 18 1 1 A 26 26 LYS N N 21 117.457 117.683 -0.226 1
2 296 . 18 1 1 A 26 26 LYS H H 21 8.770 8.823 -0.053 1
2 297 . 18 1 1 A 26 26 LYS CA C 21 60.660 60.383 0.277 1
2 298 . 18 1 1 A 26 26 LYS HA H 21 3.787 3.882 -0.095 1
2 299 . 18 1 1 A 26 26 LYS CB C 21 31.876 32.100 -0.224 1
2 300 . 18 1 1 A 26 26 LYS C C 21 177.625 178.755 -1.130 1
2 301 . 18 1 1 A 27 27 ASP N N 22 119.023 119.808 -0.785 1
2 302 . 18 1 1 A 27 27 ASP H H 22 7.671 7.833 -0.162 1
2 303 . 18 1 1 A 27 27 ASP CA C 22 56.974 57.133 -0.159 1
2 304 . 18 1 1 A 27 27 ASP HA H 22 4.392 4.443 -0.051 1
2 305 . 18 1 1 A 27 27 ASP CB C 22 40.250 40.626 -0.376 1
2 308 . 18 1 1 A 27 27 ASP C C 22 180.796 178.896 1.900 1
2 309 . 18 1 1 A 28 28 ILE N N 23 119.318 120.465 -1.147 1
2 310 . 18 1 1 A 28 28 ILE H H 23 8.039 7.910 0.129 1
2 311 . 18 1 1 A 28 28 ILE CA C 23 65.365 65.860 -0.495 1
2 312 . 18 1 1 A 28 28 ILE HA H 23 3.587 3.602 -0.015 1
2 313 . 18 1 1 A 28 28 ILE CB C 23 37.408 38.180 -0.772 1
2 326 . 18 1 1 A 28 28 ILE C C 23 177.265 178.521 -1.256 1
2 327 . 18 1 1 A 29 29 LEU N N 24 120.356 118.808 1.548 1
2 328 . 18 1 1 A 29 29 LEU H H 24 8.220 8.034 0.186 1
2 329 . 18 1 1 A 29 29 LEU CA C 24 58.562 58.161 0.401 1
2 330 . 18 1 1 A 29 29 LEU HA H 24 3.806 3.864 -0.058 1
2 331 . 18 1 1 A 29 29 LEU CB C 24 39.477 41.469 -1.992 1
2 339 . 18 1 1 A 29 29 LEU C C 24 178.572 178.716 -0.144 1
2 340 . 18 1 1 A 30 30 ASN N N 25 117.446 116.879 0.567 1
2 341 . 18 1 1 A 30 30 ASN H H 25 8.688 8.679 0.009 1
2 342 . 18 1 1 A 30 30 ASN CA C 25 56.092 56.548 -0.456 1
2 343 . 18 1 1 A 30 30 ASN HA H 25 4.493 4.353 0.140 1
2 344 . 18 1 1 A 30 30 ASN CB C 25 38.809 38.327 0.482 1
2 351 . 18 1 1 A 30 30 ASN C C 25 178.884 177.470 1.414 1
2 352 . 18 1 1 A 31 31 GLN N N 26 119.946 117.868 2.078 1
2 353 . 18 1 1 A 31 31 GLN H H 26 8.184 7.643 0.541 1
2 354 . 18 1 1 A 31 31 GLN CA C 26 58.786 58.421 0.365 1
2 355 . 18 1 1 A 31 31 GLN HA H 26 4.041 4.144 -0.103 1
2 356 . 18 1 1 A 31 31 GLN CB C 26 29.089 28.456 0.633 1
2 366 . 18 1 1 A 31 31 GLN C C 26 177.656 178.608 -0.952 1
2 367 . 18 1 1 A 32 32 LEU N N 27 116.979 114.826 2.153 1
2 368 . 18 1 1 A 32 32 LEU H H 27 7.893 7.708 0.185 1
2 369 . 18 1 1 A 32 32 LEU CA C 27 54.545 54.559 -0.014 1
2 370 . 18 1 1 A 32 32 LEU HA H 27 4.227 4.266 -0.039 1
2 371 . 18 1 1 A 32 32 LEU CB C 27 42.063 41.662 0.401 1
2 382 . 18 1 1 A 32 32 LEU C C 27 175.733 177.022 -1.289 1
2 383 . 18 1 1 A 33 33 GLY N N 28 108.299 110.048 -1.749 1
2 384 . 18 1 1 A 33 33 GLY H H 28 7.834 7.811 0.023 1
2 385 . 18 1 1 A 33 33 GLY CA C 28 45.707 45.440 0.267 1
2 386 . 18 1 1 A 33 33 GLY HA2 H 28 3.952 4.015 -0.063 1
2 387 . 18 1 1 A 33 33 GLY HA3 H 28 3.952 4.016 -0.064 1
2 388 . 18 1 1 A 33 33 GLY C C 28 174.317 174.513 -0.196 1
2 389 . 18 1 1 A 34 34 LEU N N 29 120.833 113.474 7.359 1
2 390 . 18 1 1 A 34 34 LEU H H 29 7.986 8.336 -0.350 1
2 391 . 18 1 1 A 34 34 LEU CA C 29 51.558 56.192 -4.634 1
2 392 . 18 1 1 A 34 34 LEU HA H 29 4.744 4.480 0.264 1
2 393 . 18 1 1 A 34 34 LEU CB C 29 43.525 40.992 2.533 1
2 405 . 18 1 1 A 35 35 PRO CA C 30 62.707 62.625 0.082 1
2 406 . 18 1 1 A 35 35 PRO HA H 30 4.351 4.781 -0.430 1
2 407 . 18 1 1 A 35 35 PRO CB C 30 31.919 33.507 -1.588 1
2 415 . 18 1 1 A 35 35 PRO C C 30 177.488 176.205 1.283 1
2 416 . 18 1 1 A 36 36 LYS N N 31 117.590 115.765 1.825 1
2 417 . 18 1 1 A 36 36 LYS H H 31 8.380 8.576 -0.196 1
2 418 . 18 1 1 A 36 36 LYS CA C 31 55.660 55.564 0.096 1
2 419 . 18 1 1 A 36 36 LYS HA H 31 4.286 4.588 -0.302 1
2 420 . 18 1 1 A 36 36 LYS CB C 31 33.239 33.162 0.077 1
2 430 . 18 1 1 A 36 36 LYS C C 31 174.384 176.033 -1.649 1
2 431 . 18 1 1 A 37 37 GLN N N 32 118.260 118.842 -0.582 1
2 432 . 18 1 1 A 37 37 GLN H H 32 7.698 7.851 -0.153 1
2 433 . 18 1 1 A 37 37 GLN CA C 32 55.550 53.916 1.634 1
2 434 . 18 1 1 A 37 37 GLN HA H 32 4.376 4.820 -0.444 1
2 435 . 18 1 1 A 37 37 GLN CB C 32 28.221 31.768 -3.547 1
2 445 . 18 1 1 A 37 37 GLN C C 32 175.222 176.029 -0.807 1
2 446 . 18 1 1 A 38 38 GLY N N 33 109.855 108.714 1.141 1
2 447 . 18 1 1 A 38 38 GLY H H 33 8.449 8.491 -0.042 1
2 448 . 18 1 1 A 38 38 GLY CA C 33 43.235 44.579 -1.344 1
2 449 . 18 1 1 A 38 38 GLY HA2 H 33 4.566 4.082 0.484 1
2 450 . 18 1 1 A 38 38 GLY HA3 H 33 3.789 4.082 -0.293 1
2 451 . 18 1 1 A 38 38 GLY C C 33 173.603 173.632 -0.029 1
2 452 . 18 1 1 A 39 39 LYS N N 34 117.627 122.634 -5.007 1
2 453 . 18 1 1 A 39 39 LYS H H 34 8.649 8.158 0.491 1
2 454 . 18 1 1 A 39 39 LYS CA C 34 54.563 54.769 -0.206 1
2 455 . 18 1 1 A 39 39 LYS HA H 34 4.394 4.550 -0.156 1
2 456 . 18 1 1 A 39 39 LYS CB C 34 32.892 34.092 -1.200 1
2 468 . 18 1 1 A 39 39 LYS C C 34 176.803 178.397 -1.594 1
2 469 . 18 1 1 A 40 40 LYS N N 35 121.705 123.122 -1.417 1
2 470 . 18 1 1 A 40 40 LYS H H 35 8.920 8.591 0.329 1
2 471 . 18 1 1 A 40 40 LYS CA C 35 61.559 59.488 2.071 1
2 472 . 18 1 1 A 40 40 LYS HA H 35 3.597 3.959 -0.362 1
2 473 . 18 1 1 A 40 40 LYS CB C 35 31.953 32.256 -0.303 1
2 485 . 18 1 1 A 40 40 LYS C C 35 177.362 178.440 -1.078 1
2 486 . 18 1 1 A 41 41 GLN N N 36 114.637 119.047 -4.410 1
2 487 . 18 1 1 A 41 41 GLN H H 36 9.017 7.889 1.128 1
2 488 . 18 1 1 A 41 41 GLN CA C 36 57.638 59.035 -1.397 1
2 489 . 18 1 1 A 41 41 GLN HA H 36 3.719 4.013 -0.294 1
2 490 . 18 1 1 A 41 41 GLN CB C 36 27.865 28.144 -0.279 1
2 500 . 18 1 1 A 41 41 GLN C C 36 176.975 178.233 -1.258 1
2 501 . 18 1 1 A 42 42 ASP N N 37 115.984 120.485 -4.501 1
2 502 . 18 1 1 A 42 42 ASP H H 37 7.049 8.177 -1.128 1
2 503 . 18 1 1 A 42 42 ASP CA C 37 56.424 57.368 -0.944 1
2 504 . 18 1 1 A 42 42 ASP HA H 37 4.303 4.360 -0.057 1
2 505 . 18 1 1 A 42 42 ASP CB C 37 39.955 40.654 -0.699 1
2 508 . 18 1 1 A 42 42 ASP C C 37 178.454 178.982 -0.528 1
2 509 . 18 1 1 A 43 43 LEU N N 38 119.074 121.159 -2.085 1
2 510 . 18 1 1 A 43 43 LEU H H 38 7.725 8.191 -0.466 1
2 511 . 18 1 1 A 43 43 LEU CA C 38 57.716 58.005 -0.289 1
2 512 . 18 1 1 A 43 43 LEU HA H 38 3.794 3.978 -0.184 1
2 513 . 18 1 1 A 43 43 LEU CB C 38 40.211 42.363 -2.152 1
2 526 . 18 1 1 A 43 43 LEU C C 38 177.872 179.000 -1.128 1
2 527 . 18 1 1 A 44 44 ILE N N 39 118.343 118.805 -0.462 1
2 528 . 18 1 1 A 44 44 ILE H H 39 7.867 8.168 -0.301 1
2 529 . 18 1 1 A 44 44 ILE CA C 39 66.211 65.508 0.703 1
2 530 . 18 1 1 A 44 44 ILE HA H 39 3.319 3.524 -0.205 1
2 531 . 18 1 1 A 44 44 ILE CB C 39 37.985 37.735 0.250 1
2 541 . 18 1 1 A 44 44 ILE C C 39 177.711 177.712 -0.001 1
2 542 . 18 1 1 A 45 45 ASP N N 40 118.535 121.015 -2.480 1
2 543 . 18 1 1 A 45 45 ASP H H 40 8.503 8.340 0.163 1
2 544 . 18 1 1 A 45 45 ASP CA C 40 56.817 57.376 -0.559 1
2 545 . 18 1 1 A 45 45 ASP HA H 40 4.256 4.459 -0.203 1
2 546 . 18 1 1 A 45 45 ASP CB C 40 39.815 41.295 -1.480 1
2 549 . 18 1 1 A 45 45 ASP C C 40 178.464 178.997 -0.533 1
2 550 . 18 1 1 A 46 46 ARG N N 41 120.910 120.787 0.123 1
2 551 . 18 1 1 A 46 46 ARG H H 41 7.717 7.934 -0.217 1
2 552 . 18 1 1 A 46 46 ARG CA C 41 59.054 59.546 -0.492 1
2 553 . 18 1 1 A 46 46 ARG HA H 41 3.993 4.121 -0.128 1
2 554 . 18 1 1 A 46 46 ARG CB C 41 29.778 30.556 -0.778 1
2 563 . 18 1 1 A 46 46 ARG C C 41 177.565 178.459 -0.894 1
2 564 . 18 1 1 A 47 47 VAL N N 42 117.438 120.002 -2.564 1
2 565 . 18 1 1 A 47 47 VAL H H 42 7.445 8.063 -0.618 1
2 566 . 18 1 1 A 47 47 VAL CA C 42 66.095 66.373 -0.278 1
2 567 . 18 1 1 A 47 47 VAL HA H 42 3.446 3.667 -0.221 1
2 568 . 18 1 1 A 47 47 VAL CB C 42 31.113 31.793 -0.680 1
2 578 . 18 1 1 A 47 47 VAL C C 42 177.710 178.256 -0.546 1
2 579 . 18 1 1 A 48 48 LEU N N 43 117.085 117.571 -0.486 1
2 580 . 18 1 1 A 48 48 LEU H H 43 8.466 8.067 0.399 1
2 581 . 18 1 1 A 48 48 LEU CA C 43 57.406 57.748 -0.342 1
2 582 . 18 1 1 A 48 48 LEU HA H 43 3.851 3.982 -0.131 1
2 583 . 18 1 1 A 48 48 LEU CB C 43 40.779 41.198 -0.419 1
2 596 . 18 1 1 A 48 48 LEU C C 43 179.581 179.639 -0.058 1
2 597 . 18 1 1 A 49 49 ALA N N 44 120.480 121.947 -1.467 1
2 598 . 18 1 1 A 49 49 ALA H H 44 7.952 7.947 0.005 1
2 599 . 18 1 1 A 49 49 ALA CA C 44 53.998 54.665 -0.667 1
2 600 . 18 1 1 A 49 49 ALA HA H 44 4.104 4.100 0.004 1
2 604 . 18 1 1 A 49 49 ALA CB C 44 17.685 18.158 -0.473 1
2 605 . 18 1 1 A 49 49 ALA C C 44 178.926 179.489 -0.563 1
2 606 . 18 1 1 A 50 50 LEU N N 45 115.306 120.316 -5.010 1
2 607 . 18 1 1 A 50 50 LEU H H 45 7.428 7.754 -0.326 1
2 608 . 18 1 1 A 50 50 LEU CA C 45 55.650 57.590 -1.940 1
2 609 . 18 1 1 A 50 50 LEU HA H 45 4.206 4.118 0.088 1
2 610 . 18 1 1 A 50 50 LEU CB C 45 41.937 41.827 0.110 1
2 623 . 18 1 1 A 50 50 LEU C C 45 177.840 178.734 -0.894 1
2 624 . 18 1 1 A 51 51 LEU N N 46 115.880 118.669 -2.789 1
2 625 . 18 1 1 A 51 51 LEU H H 46 7.642 7.965 -0.323 1
2 626 . 18 1 1 A 51 51 LEU CA C 46 54.861 56.442 -1.581 1
2 627 . 18 1 1 A 51 51 LEU HA H 46 4.260 4.197 0.063 1
2 628 . 18 1 1 A 51 51 LEU CB C 46 42.228 41.847 0.381 1
2 638 . 18 1 1 A 51 51 LEU C C 46 176.015 177.659 -1.644 1
2 639 . 18 1 1 A 52 52 THR N N 47 109.201 113.073 -3.872 1
2 640 . 18 1 1 A 52 52 THR H H 47 7.515 7.518 -0.003 1
2 641 . 18 1 1 A 52 52 THR CA C 47 60.972 64.609 -3.637 1
2 642 . 18 1 1 A 52 52 THR HA H 47 4.345 4.279 0.066 1
2 643 . 18 1 1 A 52 52 THR CB C 47 69.620 69.404 0.216 1
2 649 . 18 1 1 A 52 52 THR C C 47 173.733 175.506 -1.773 1
2 650 . 18 1 1 A 53 53 ASP N N 48 122.188 119.252 2.936 1
2 651 . 18 1 1 A 53 53 ASP H H 48 8.280 8.250 0.030 1
2 652 . 18 1 1 A 53 53 ASP CA C 48 54.205 56.186 -1.981 1
2 653 . 18 1 1 A 53 53 ASP HA H 48 4.686 4.529 0.157 1
2 654 . 18 1 1 A 53 53 ASP CB C 48 40.766 40.382 0.384 1
2 658 . 18 1 1 A 53 53 ASP C C 48 176.000 176.714 -0.714 1
2 659 . 18 1 1 A 54 54 GLU N N 49 121.966 118.560 3.406 1
2 660 . 18 1 1 A 54 54 GLU H H 49 8.589 7.767 0.822 1
2 661 . 18 1 1 A 54 54 GLU CA C 49 56.448 55.527 0.921 1
2 662 . 18 1 1 A 54 54 GLU HA H 49 4.234 4.653 -0.419 1
2 663 . 18 1 1 A 54 54 GLU CB C 49 29.642 30.835 -1.193 1
2 669 . 18 1 1 A 54 54 GLU C C 49 176.522 176.787 -0.265 1
2 670 . 18 1 1 A 55 55 GLN N N 50 120.727 119.242 1.485 1
2 671 . 18 1 1 A 55 55 GLN H H 50 8.642 7.837 0.805 1
2 672 . 18 1 1 A 55 55 GLN CA C 50 56.251 55.556 0.695 1
2 673 . 18 1 1 A 55 55 GLN HA H 50 4.217 4.212 0.005 1
2 674 . 18 1 1 A 55 55 GLN CB C 50 28.555 29.119 -0.564 1
2 684 . 18 1 1 A 55 55 GLN C C 50 176.519 176.805 -0.286 1
2 685 . 18 1 1 A 56 56 GLY N N 51 109.357 108.839 0.518 1
2 686 . 18 1 1 A 56 56 GLY H H 51 8.519 7.984 0.535 1
2 687 . 18 1 1 A 56 56 GLY CA C 51 45.276 46.723 -1.447 1
2 688 . 18 1 1 A 56 56 GLY HA2 H 51 3.950 3.983 -0.033 1
2 689 . 18 1 1 A 56 56 GLY HA3 H 51 3.809 4.046 -0.237 1
2 690 . 18 1 1 A 56 56 GLY C C 51 174.146 175.202 -1.056 1
2 691 . 18 1 1 A 57 57 GLN N N 52 119.207 118.045 1.162 1
2 692 . 18 1 1 A 57 57 GLN H H 52 8.263 8.243 0.020 1
2 693 . 18 1 1 A 57 57 GLN CA C 52 55.572 58.509 -2.937 1
2 694 . 18 1 1 A 57 57 GLN HA H 52 4.203 4.214 -0.011 1
2 695 . 18 1 1 A 57 57 GLN CB C 52 28.656 29.149 -0.493 1
2 705 . 18 1 1 A 57 57 GLN C C 52 175.872 177.244 -1.372 1
2 706 . 18 1 1 A 58 58 ARG N N 53 120.525 114.624 5.901 1
2 707 . 18 1 1 A 58 58 ARG H H 53 8.279 7.939 0.340 1
2 708 . 18 1 1 A 58 58 ARG CA C 53 55.883 55.549 0.334 1
2 709 . 18 1 1 A 58 58 ARG HA H 53 4.176 4.633 -0.457 1
2 710 . 18 1 1 A 58 58 ARG CB C 53 30.031 30.597 -0.566 1
2 721 . 18 1 1 A 58 58 ARG C C 53 175.820 175.571 0.249 1
2 722 . 18 1 1 A 59 59 HIS N N 54 118.905 118.621 0.284 1
2 723 . 18 1 1 A 59 59 HIS H H 54 8.398 7.714 0.684 1
2 724 . 18 1 1 A 59 59 HIS CA C 54 54.908 54.897 0.011 1
2 725 . 18 1 1 A 59 59 HIS HA H 54 4.548 4.882 -0.334 1
2 726 . 18 1 1 A 59 59 HIS CB C 54 28.953 31.137 -2.184 1
2 729 . 18 1 1 A 59 59 HIS C C 54 174.136 173.348 0.788 1
2 730 . 18 1 1 A 60 60 HIS N N 55 119.527 116.327 3.200 1
2 731 . 18 1 1 A 60 60 HIS H H 55 8.493 8.273 0.220 1
2 732 . 18 1 1 A 60 60 HIS CA C 55 55.274 53.740 1.534 1
2 733 . 18 1 1 A 60 60 HIS HA H 55 4.552 4.752 -0.200 1
2 734 . 18 1 1 A 60 60 HIS CB C 55 28.913 32.231 -3.318 1
2 737 . 18 1 1 A 60 60 HIS C C 55 174.595 173.919 0.676 1
2 738 . 18 1 1 A 61 61 GLY N N 56 110.215 106.851 3.364 1
2 739 . 18 1 1 A 61 61 GLY H H 56 8.604 7.537 1.067 1
2 740 . 18 1 1 A 61 61 GLY CA C 56 44.977 44.943 0.034 1
2 741 . 18 1 1 A 61 61 GLY HA2 H 56 3.956 3.784 0.172 1
2 742 . 18 1 1 A 61 61 GLY HA3 H 56 3.831 3.819 0.012 1
2 743 . 18 1 1 A 61 61 GLY C C 56 173.752 174.595 -0.843 1
2 744 . 18 1 1 A 62 62 TRP N N 57 120.700 118.438 2.262 1
2 745 . 18 1 1 A 62 62 TRP H H 57 8.175 7.587 0.588 1
2 746 . 18 1 1 A 62 62 TRP CA C 57 56.929 58.352 -1.423 1
2 747 . 18 1 1 A 62 62 TRP HA H 57 4.663 4.758 -0.095 1
2 748 . 18 1 1 A 62 62 TRP CB C 57 29.142 31.150 -2.008 1
2 763 . 18 1 1 A 62 62 TRP C C 57 176.442 177.571 -1.129 1
2 764 . 18 1 1 A 63 63 GLY N N 58 110.195 108.539 1.656 1
2 765 . 18 1 1 A 63 63 GLY H H 58 8.452 8.488 -0.036 1
2 766 . 18 1 1 A 63 63 GLY CA C 58 45.052 46.057 -1.005 1
2 767 . 18 1 1 A 63 63 GLY HA2 H 58 3.925 4.073 -0.148 1
2 768 . 18 1 1 A 63 63 GLY HA3 H 58 3.833 4.087 -0.254 1
2 769 . 18 1 1 A 63 63 GLY C C 58 173.738 173.756 -0.018 1
2 770 . 18 1 1 A 64 64 ARG N N 59 120.374 121.761 -1.387 1
2 771 . 18 1 1 A 64 64 ARG H H 59 8.136 8.409 -0.273 1
2 772 . 18 1 1 A 64 64 ARG CA C 59 55.799 57.326 -1.527 1
2 773 . 18 1 1 A 64 64 ARG HA H 59 4.287 4.645 -0.358 1
2 774 . 18 1 1 A 64 64 ARG CB C 59 30.371 33.412 -3.041 1
2 785 . 18 1 1 A 64 64 ARG C C 59 176.287 176.618 -0.331 1
2 786 . 18 1 1 A 65 65 LYS N N 60 121.593 115.488 6.105 1
2 787 . 18 1 1 A 65 65 LYS H H 60 8.483 7.727 0.756 1
2 788 . 18 1 1 A 65 65 LYS CA C 60 56.353 55.582 0.771 1
2 789 . 18 1 1 A 65 65 LYS HA H 60 4.218 4.580 -0.362 1
2 790 . 18 1 1 A 65 65 LYS CB C 60 32.260 33.065 -0.805 1
2 796 . 18 1 1 A 65 65 LYS C C 60 176.102 177.024 -0.922 1
2 797 . 18 1 1 A 66 66 ASN N N 61 118.654 119.491 -0.837 1
2 798 . 18 1 1 A 66 66 ASN H H 61 8.413 8.142 0.271 1
2 799 . 18 1 1 A 66 66 ASN CA C 61 53.055 55.478 -2.423 1
2 800 . 18 1 1 A 66 66 ASN HA H 61 4.639 4.473 0.166 1
2 801 . 18 1 1 A 66 66 ASN CB C 61 38.385 38.954 -0.569 1
2 808 . 18 1 1 A 66 66 ASN C C 61 174.531 175.839 -1.308 1
2 809 . 18 1 1 A 67 67 SER N N 62 115.491 111.416 4.075 1
2 810 . 18 1 1 A 67 67 SER H H 62 8.288 8.078 0.210 1
2 811 . 18 1 1 A 67 67 SER CA C 62 57.980 59.559 -1.579 1
2 812 . 18 1 1 A 67 67 SER HA H 62 4.283 4.294 -0.011 1
2 813 . 18 1 1 A 67 67 SER CB C 62 63.205 61.196 2.009 1
2 816 . 18 1 1 A 67 67 SER C C 62 173.864 174.724 -0.860 1
2 817 . 18 1 1 A 68 68 LEU N N 63 123.549 118.429 5.120 1
2 818 . 18 1 1 A 68 68 LEU H H 63 8.063 7.991 0.072 1
2 819 . 18 1 1 A 68 68 LEU CA C 63 54.098 53.951 0.147 1
2 820 . 18 1 1 A 68 68 LEU HA H 63 4.481 4.650 -0.169 1
2 821 . 18 1 1 A 68 68 LEU CB C 63 42.494 42.892 -0.398 1
2 834 . 18 1 1 A 68 68 LEU C C 63 176.532 175.344 1.188 1
2 835 . 18 1 1 A 69 69 THR N N 64 112.637 114.641 -2.004 1
2 836 . 18 1 1 A 69 69 THR H H 64 7.797 7.641 0.156 1
2 837 . 18 1 1 A 69 69 THR CA C 64 59.915 60.760 -0.845 1
2 838 . 18 1 1 A 69 69 THR HA H 64 4.490 4.892 -0.402 1
2 839 . 18 1 1 A 69 69 THR CB C 64 70.852 72.469 -1.617 1
2 845 . 18 1 1 A 69 69 THR C C 64 174.998 175.041 -0.043 1
2 846 . 18 1 1 A 70 70 LYS N N 65 120.128 123.264 -3.136 1
2 847 . 18 1 1 A 70 70 LYS H H 65 9.059 8.928 0.131 1
2 848 . 18 1 1 A 70 70 LYS CA C 65 59.535 59.044 0.491 1
2 849 . 18 1 1 A 70 70 LYS HA H 65 3.909 4.018 -0.109 1
2 850 . 18 1 1 A 70 70 LYS CB C 65 31.890 31.803 0.087 1
2 858 . 18 1 1 A 70 70 LYS C C 65 177.536 178.441 -0.905 1
2 859 . 18 1 1 A 71 71 GLU N N 66 117.667 119.455 -1.788 1
2 860 . 18 1 1 A 71 71 GLU H H 66 8.699 8.682 0.017 1
2 861 . 18 1 1 A 71 71 GLU CA C 66 60.199 59.048 1.151 1
2 862 . 18 1 1 A 71 71 GLU HA H 66 3.806 4.084 -0.278 1
2 863 . 18 1 1 A 71 71 GLU CB C 66 27.986 29.605 -1.619 1
2 870 . 18 1 1 A 71 71 GLU C C 66 178.416 178.994 -0.578 1
2 871 . 18 1 1 A 72 72 ALA N N 67 123.924 122.075 1.849 1
2 872 . 18 1 1 A 72 72 ALA H H 67 7.992 7.296 0.696 1
2 873 . 18 1 1 A 72 72 ALA CA C 67 54.477 54.884 -0.407 1
2 874 . 18 1 1 A 72 72 ALA HA H 67 4.110 4.079 0.031 1
2 878 . 18 1 1 A 72 72 ALA CB C 67 18.301 18.795 -0.494 1
2 879 . 18 1 1 A 72 72 ALA C C 67 178.721 179.493 -0.772 1
2 880 . 18 1 1 A 73 73 VAL N N 68 119.434 118.129 1.305 1
2 881 . 18 1 1 A 73 73 VAL H H 68 8.044 7.969 0.075 1
2 882 . 18 1 1 A 73 73 VAL CA C 68 66.089 66.587 -0.498 1
2 883 . 18 1 1 A 73 73 VAL HA H 68 3.473 3.547 -0.074 1
2 884 . 18 1 1 A 73 73 VAL CB C 68 31.150 31.627 -0.477 1
2 894 . 18 1 1 A 73 73 VAL C C 68 177.001 178.619 -1.618 1
2 895 . 18 1 1 A 74 74 ALA N N 69 120.671 121.468 -0.797 1
2 896 . 18 1 1 A 74 74 ALA H H 69 8.407 8.456 -0.049 1
2 897 . 18 1 1 A 74 74 ALA CA C 69 54.727 55.108 -0.381 1
2 898 . 18 1 1 A 74 74 ALA HA H 69 3.968 4.091 -0.123 1
2 902 . 18 1 1 A 74 74 ALA CB C 69 18.066 18.119 -0.053 1
2 903 . 18 1 1 A 74 74 ALA C C 69 178.820 179.626 -0.806 1
2 904 . 18 1 1 A 75 75 LYS N N 70 118.624 118.120 0.504 1
2 905 . 18 1 1 A 75 75 LYS H H 70 7.930 7.920 0.010 1
2 906 . 18 1 1 A 75 75 LYS CA C 70 58.807 60.059 -1.252 1
2 907 . 18 1 1 A 75 75 LYS HA H 70 4.086 3.964 0.122 1
2 908 . 18 1 1 A 75 75 LYS CB C 70 31.776 32.235 -0.459 1
2 918 . 18 1 1 A 75 75 LYS C C 70 177.424 178.818 -1.394 1
2 919 . 18 1 1 A 76 76 ILE N N 71 120.234 119.714 0.520 1
2 920 . 18 1 1 A 76 76 ILE H H 71 7.478 7.789 -0.311 1
2 921 . 18 1 1 A 76 76 ILE CA C 71 64.885 65.038 -0.153 1
2 922 . 18 1 1 A 76 76 ILE HA H 71 3.960 3.644 0.316 1
2 923 . 18 1 1 A 76 76 ILE CB C 71 37.810 37.802 0.008 1
2 936 . 18 1 1 A 76 76 ILE C C 71 179.734 177.611 2.123 1
2 937 . 18 1 1 A 77 77 VAL N N 72 122.502 119.467 3.035 1
2 938 . 18 1 1 A 77 77 VAL H H 72 8.325 7.831 0.494 1
2 939 . 18 1 1 A 77 77 VAL CA C 72 67.450 66.593 0.857 1
2 940 . 18 1 1 A 77 77 VAL HA H 72 3.576 3.431 0.145 1
2 941 . 18 1 1 A 77 77 VAL CB C 72 30.928 31.445 -0.517 1
2 951 . 18 1 1 A 77 77 VAL C C 72 176.906 178.109 -1.203 1
2 952 . 18 1 1 A 78 78 ASP N N 73 120.524 120.584 -0.060 1
2 953 . 18 1 1 A 78 78 ASP H H 73 8.798 8.229 0.569 1
2 954 . 18 1 1 A 78 78 ASP CA C 73 58.206 57.821 0.385 1
2 955 . 18 1 1 A 78 78 ASP HA H 73 4.379 4.411 -0.032 1
2 956 . 18 1 1 A 78 78 ASP CB C 73 41.420 41.351 0.069 1
2 960 . 18 1 1 A 78 78 ASP C C 73 178.068 178.206 -0.138 1
2 961 . 18 1 1 A 79 79 ASP N N 74 119.761 120.101 -0.340 1
2 962 . 18 1 1 A 79 79 ASP H H 74 9.318 8.048 1.270 1
2 963 . 18 1 1 A 79 79 ASP CA C 74 57.025 57.499 -0.474 1
2 964 . 18 1 1 A 79 79 ASP HA H 74 4.404 4.292 0.112 1
2 965 . 18 1 1 A 79 79 ASP CB C 74 40.007 41.007 -1.000 1
2 969 . 18 1 1 A 79 79 ASP C C 74 178.813 178.938 -0.125 1
2 970 . 18 1 1 A 80 80 THR N N 75 117.342 116.451 0.891 1
2 971 . 18 1 1 A 80 80 THR H H 75 8.084 8.269 -0.185 1
2 972 . 18 1 1 A 80 80 THR CA C 75 66.977 66.295 0.682 1
2 973 . 18 1 1 A 80 80 THR HA H 75 3.826 3.814 0.012 1
2 974 . 18 1 1 A 80 80 THR CB C 75 67.725 68.138 -0.413 1
2 980 . 18 1 1 A 80 80 THR C C 75 175.367 175.803 -0.436 1
2 981 . 18 1 1 A 81 81 TYR N N 76 123.732 121.949 1.783 1
2 982 . 18 1 1 A 81 81 TYR H H 76 8.830 8.330 0.500 1
2 983 . 18 1 1 A 81 81 TYR CA C 76 61.713 61.375 0.338 1
2 984 . 18 1 1 A 81 81 TYR HA H 76 4.265 4.491 -0.226 1
2 985 . 18 1 1 A 81 81 TYR CB C 76 38.849 38.568 0.281 1
2 994 . 18 1 1 A 81 81 TYR C C 76 176.700 177.797 -1.097 1
2 995 . 18 1 1 A 82 82 ARG N N 77 118.508 120.098 -1.590 1
2 996 . 18 1 1 A 82 82 ARG H H 77 8.754 8.674 0.080 1
2 997 . 18 1 1 A 82 82 ARG CA C 77 58.792 59.624 -0.832 1
2 998 . 18 1 1 A 82 82 ARG HA H 77 3.890 3.963 -0.073 1
2 999 . 18 1 1 A 82 82 ARG CB C 77 29.498 29.711 -0.213 1
2 1015 . 18 1 1 A 82 82 ARG C C 77 178.748 179.059 -0.311 1
2 1016 . 18 1 1 A 83 83 LYS N N 78 118.079 118.331 -0.252 1
2 1017 . 18 1 1 A 83 83 LYS H H 78 7.696 7.882 -0.186 1
2 1018 . 18 1 1 A 83 83 LYS CA C 78 58.671 59.153 -0.482 1
2 1019 . 18 1 1 A 83 83 LYS HA H 78 4.024 4.084 -0.060 1
2 1020 . 18 1 1 A 83 83 LYS CB C 78 32.057 32.090 -0.033 1
2 1026 . 18 1 1 A 83 83 LYS C C 78 177.743 179.181 -1.438 1
2 1027 . 18 1 1 A 84 84 MET N N 79 118.241 119.922 -1.681 1
2 1028 . 18 1 1 A 84 84 MET H H 79 7.748 8.006 -0.258 1
2 1029 . 18 1 1 A 84 84 MET CA C 79 57.209 57.735 -0.526 1
2 1030 . 18 1 1 A 84 84 MET HA H 79 4.170 4.368 -0.198 1
2 1031 . 18 1 1 A 84 84 MET CB C 79 32.320 33.234 -0.914 1
2 1041 . 18 1 1 A 84 84 MET C C 79 177.036 176.432 0.604 1
2 1042 . 18 1 1 A 85 85 GLN N N 80 117.242 116.872 0.370 1
2 1043 . 18 1 1 A 85 85 GLN H H 80 7.843 7.879 -0.036 1
2 1044 . 18 1 1 A 85 85 GLN CA C 80 56.523 54.648 1.875 1
2 1045 . 18 1 1 A 85 85 GLN HA H 80 3.993 4.513 -0.520 1
2 1046 . 18 1 1 A 85 85 GLN CB C 80 28.240 29.211 -0.971 1
2 1056 . 18 1 1 A 85 85 GLN C C 80 176.690 173.887 2.803 1
2 1057 . 18 1 1 A 86 86 ILE N N 81 119.178 119.995 -0.817 1
2 1058 . 18 1 1 A 86 86 ILE H H 81 7.715 8.104 -0.389 1
2 1059 . 18 1 1 A 86 86 ILE CA C 81 62.073 61.050 1.023 1
2 1060 . 18 1 1 A 86 86 ILE HA H 81 3.934 4.044 -0.110 1
2 1061 . 18 1 1 A 86 86 ILE CB C 81 37.966 36.992 0.974 1
2 1074 . 18 1 1 A 86 86 ILE C C 81 176.673 174.871 1.802 1
2 1075 . 18 1 1 A 87 87 GLN N N 82 121.386 123.670 -2.284 1
2 1076 . 18 1 1 A 87 87 GLN H H 82 8.164 8.789 -0.625 1
2 1077 . 18 1 1 A 87 87 GLN CA C 82 55.968 55.940 0.028 1
2 1078 . 18 1 1 A 87 87 GLN HA H 82 4.214 4.412 -0.198 1
2 1079 . 18 1 1 A 87 87 GLN CB C 82 28.735 31.629 -2.894 1
2 1088 . 18 1 1 A 87 87 GLN C C 82 175.836 174.877 0.959 1
2 1089 . 18 1 1 A 88 88 CYS N N 83 118.663 124.299 -5.636 1
2 1090 . 18 1 1 A 88 88 CYS H H 83 8.238 9.019 -0.781 1
2 1091 . 18 1 1 A 88 88 CYS CA C 83 57.997 60.701 -2.704 1
2 1092 . 18 1 1 A 88 88 CYS HA H 83 4.467 4.112 0.355 1
2 1093 . 18 1 1 A 88 88 CYS CB C 83 27.582 27.209 0.373 1
2 1096 . 18 1 1 A 88 88 CYS C C 83 173.432 174.250 -0.818 1
2 1097 . 18 1 1 A 89 89 ALA N N 84 127.014 124.036 2.978 1
2 1098 . 18 1 1 A 89 89 ALA H H 84 8.249 7.706 0.543 1
2 1099 . 18 1 1 A 89 89 ALA CA C 84 50.607 50.620 -0.013 1
2 1100 . 18 1 1 A 89 89 ALA HA H 84 4.544 4.329 0.215 1
2 1104 . 18 1 1 A 89 89 ALA CB C 84 17.658 19.630 -1.972 1
2 1105 . 18 1 1 A 89 89 ALA C C 84 175.125 177.740 -2.615 1
2 1107 . 18 1 1 A 90 90 PRO CA C 85 62.995 63.727 -0.732 1
2 1108 . 18 1 1 A 90 90 PRO HA H 85 4.373 4.447 -0.074 1
2 1109 . 18 1 1 A 90 90 PRO CB C 85 31.692 31.947 -0.255 1
2 1117 . 18 1 1 A 90 90 PRO C C 85 176.407 177.133 -0.726 1
2 1118 . 18 1 1 A 91 91 ASP N N 86 119.209 118.992 0.217 1
2 1119 . 18 1 1 A 91 91 ASP H H 86 8.429 8.141 0.288 1
2 1120 . 18 1 1 A 91 91 ASP CA C 86 53.752 55.201 -1.449 1
2 1121 . 18 1 1 A 91 91 ASP HA H 86 4.394 4.306 0.088 1
2 1122 . 18 1 1 A 91 91 ASP CB C 86 40.319 39.716 0.603 1
2 1125 . 18 1 1 A 91 91 ASP C C 86 176.101 175.369 0.732 1
2 1126 . 18 1 1 A 92 92 LEU N N 87 122.571 117.521 5.050 1
2 1127 . 18 1 1 A 92 92 LEU H H 87 8.208 8.554 -0.346 1
2 1128 . 18 1 1 A 92 92 LEU CA C 87 55.286 55.722 -0.436 1
2 1129 . 18 1 1 A 92 92 LEU HA H 87 4.204 4.098 0.106 1
2 1130 . 18 1 1 A 92 92 LEU CB C 87 41.786 39.765 2.021 1
2 1143 . 18 1 1 A 92 92 LEU C C 87 177.406 176.145 1.261 1
2 1144 . 18 1 1 A 93 93 ALA N N 88 123.131 118.690 4.441 1
2 1145 . 18 1 1 A 93 93 ALA H H 88 8.305 7.963 0.342 1
2 1146 . 18 1 1 A 93 93 ALA CA C 88 52.876 53.206 -0.330 1
2 1147 . 18 1 1 A 93 93 ALA HA H 88 4.263 4.064 0.199 1
2 1151 . 18 1 1 A 93 93 ALA CB C 88 18.672 17.403 1.269 1
2 1152 . 18 1 1 A 93 93 ALA C C 88 178.033 176.537 1.496 1
2 1153 . 18 1 1 A 94 94 THR N N 89 112.097 102.237 9.860 1
2 1154 . 18 1 1 A 94 94 THR H H 89 7.994 8.747 -0.753 1
2 1155 . 18 1 1 A 94 94 THR CA C 89 61.640 62.991 -1.351 1
2 1156 . 18 1 1 A 94 94 THR HA H 89 4.251 3.950 0.301 1
2 1157 . 18 1 1 A 94 94 THR CB C 89 69.063 66.547 2.516 1
2 1163 . 18 1 1 A 94 94 THR C C 89 174.493 173.864 0.629 1
2 1164 . 18 1 1 A 95 95 ARG N N 90 122.704 113.368 9.336 1
2 1165 . 18 1 1 A 95 95 ARG H H 90 8.211 8.901 -0.690 1
2 1166 . 18 1 1 A 95 95 ARG CA C 90 55.718 57.608 -1.890 1
2 1167 . 18 1 1 A 95 95 ARG HA H 90 4.324 3.834 0.490 1
2 1168 . 18 1 1 A 95 95 ARG CB C 90 30.309 27.287 3.022 1
2 1179 . 18 1 1 A 95 95 ARG C C 90 175.927 174.291 1.636 1
2 1180 . 18 1 1 A 96 96 SER N N 91 116.390 110.372 6.018 1
2 1181 . 18 1 1 A 96 96 SER H H 91 8.365 8.343 0.022 1
2 1182 . 18 1 1 A 96 96 SER CA C 91 57.823 56.965 0.858 1
2 1183 . 18 1 1 A 96 96 SER HA H 91 4.356 5.018 -0.662 1
2 1184 . 18 1 1 A 96 96 SER CB C 91 63.214 64.923 -1.709 1
2 1187 . 18 1 1 A 96 96 SER C C 91 174.011 173.272 0.739 1
2 1188 . 18 1 1 A 97 97 HIS N N 92 120.507 124.278 -3.771 1
2 1189 . 18 1 1 A 97 97 HIS H H 92 8.541 8.670 -0.129 1
2 1190 . 18 1 1 A 97 97 HIS CA C 92 54.960 56.665 -1.705 1
2 1191 . 18 1 1 A 97 97 HIS HA H 92 4.704 4.780 -0.076 1
2 1192 . 18 1 1 A 97 97 HIS CB C 92 28.518 32.630 -4.112 1
2 1197 . 18 1 1 A 97 97 HIS C C 92 174.186 174.448 -0.262 1
2 1198 . 18 1 1 A 98 98 SER N N 93 116.801 114.181 2.620 1
2 1199 . 18 1 1 A 98 98 SER H H 93 8.455 8.617 -0.162 1
2 1200 . 18 1 1 A 98 98 SER CA C 93 57.880 57.580 0.300 1
2 1201 . 18 1 1 A 98 98 SER HA H 93 4.445 4.821 -0.376 1
2 1202 . 18 1 1 A 98 98 SER CB C 93 63.434 62.574 0.860 1
2 1205 . 18 1 1 A 98 98 SER C C 93 174.508 175.026 -0.518 1
2 1206 . 18 1 1 A 99 99 GLY N N 94 111.114 110.959 0.155 1
2 1207 . 18 1 1 A 99 99 GLY H H 94 8.597 8.432 0.165 1
2 1208 . 18 1 1 A 99 99 GLY CA C 94 44.888 46.065 -1.177 1
2 1209 . 18 1 1 A 99 99 GLY HA2 H 94 3.998 3.936 0.062 1
2 1210 . 18 1 1 A 99 99 GLY HA3 H 94 3.998 3.986 0.012 1
2 1211 . 18 1 1 A 99 99 GLY C C 94 173.856 174.050 -0.194 1
2 1212 . 18 1 1 A 100 100 SER N N 95 115.398 115.260 0.138 1
2 1213 . 18 1 1 A 100 100 SER H H 95 8.311 8.190 0.121 1
2 1214 . 18 1 1 A 100 100 SER CA C 95 57.888 55.844 2.044 1
2 1215 . 18 1 1 A 100 100 SER HA H 95 4.408 4.735 -0.327 1
2 1216 . 18 1 1 A 100 100 SER CB C 95 63.328 65.655 -2.327 1
2 1219 . 18 1 1 A 100 100 SER C C 95 173.725 173.230 0.495 1
2 1220 . 18 1 1 A 101 101 ASP N N 96 121.810 123.421 -1.611 1
2 1221 . 18 1 1 A 101 101 ASP H H 96 8.380 8.734 -0.354 1
2 1222 . 18 1 1 A 101 101 ASP CA C 96 53.813 56.467 -2.654 1
2 1223 . 18 1 1 A 101 101 ASP HA H 96 4.536 4.328 0.208 1
2 1224 . 18 1 1 A 101 101 ASP CB C 96 40.438 40.330 0.108 1
2 1227 . 18 1 1 A 101 101 ASP C C 96 175.524 176.517 -0.993 1
2 1228 . 18 1 1 A 102 102 PHE N N 97 120.706 116.700 4.006 1
2 1229 . 18 1 1 A 102 102 PHE H H 97 8.249 7.777 0.472 1
2 1230 . 18 1 1 A 102 102 PHE CA C 97 57.323 57.865 -0.542 1
2 1231 . 18 1 1 A 102 102 PHE HA H 97 4.527 4.584 -0.057 1
2 1232 . 18 1 1 A 102 102 PHE CB C 97 38.989 39.491 -0.502 1
2 1238 . 18 1 1 A 102 102 PHE C C 97 175.246 174.842 0.404 1
2 1239 . 18 1 1 A 103 103 SER N N 98 116.992 112.565 4.427 1
2 1240 . 18 1 1 A 103 103 SER H H 98 8.167 8.379 -0.212 1
2 1241 . 18 1 1 A 103 103 SER CA C 98 57.883 59.610 -1.727 1
2 1242 . 18 1 1 A 103 103 SER HA H 98 4.317 4.349 -0.032 1
2 1243 . 18 1 1 A 103 103 SER CB C 98 63.301 61.104 2.197 1
2 1246 . 18 1 1 A 103 103 SER C C 98 173.244 172.998 0.246 1
2 1247 . 18 1 1 A 104 104 PHE N N 99 122.000 119.099 2.901 1
2 1248 . 18 1 1 A 104 104 PHE H H 99 8.170 7.901 0.269 1
2 1249 . 18 1 1 A 104 104 PHE CA C 99 57.236 57.836 -0.600 1
2 1250 . 18 1 1 A 104 104 PHE HA H 99 4.529 4.691 -0.162 1
2 1251 . 18 1 1 A 104 104 PHE CB C 99 38.997 39.207 -0.210 1
2 1257 . 18 1 1 A 104 104 PHE C C 99 174.632 174.135 0.497 1
2 1258 . 18 1 1 A 105 105 ARG N N 100 124.796 126.230 -1.434 1
2 1259 . 18 1 1 A 105 105 ARG H H 100 8.101 8.308 -0.207 1
2 1260 . 18 1 1 A 105 105 ARG CA C 100 52.969 54.365 -1.396 1
2 1261 . 18 1 1 A 105 105 ARG HA H 100 4.516 4.275 0.241 1
2 1262 . 18 1 1 A 105 105 ARG CB C 100 30.069 30.854 -0.785 1
2 1271 . 18 1 1 A 105 105 ARG C C 100 172.924 174.647 -1.723 1
2 1273 . 18 1 1 A 106 106 PRO CA C 101 62.673 62.269 0.404 1
2 1274 . 18 1 1 A 106 106 PRO HA H 101 4.351 4.540 -0.189 1
2 1275 . 18 1 1 A 106 106 PRO CB C 101 31.726 33.359 -1.633 1
2 1283 . 18 1 1 A 106 106 PRO C C 101 176.395 176.379 0.016 1
2 1284 . 18 1 1 A 107 107 ILE N N 102 121.380 121.125 0.255 1
2 1285 . 18 1 1 A 107 107 ILE H H 102 8.350 8.437 -0.087 1
2 1286 . 18 1 1 A 107 107 ILE CA C 102 60.940 60.476 0.464 1
2 1287 . 18 1 1 A 107 107 ILE HA H 102 4.039 4.654 -0.615 1
2 1288 . 18 1 1 A 107 107 ILE CB C 102 38.204 38.934 -0.730 1
2 1301 . 18 1 1 A 107 107 ILE C C 102 175.990 176.474 -0.484 1
2 1302 . 18 1 1 A 108 108 GLU N N 103 124.836 123.655 1.181 1
2 1303 . 18 1 1 A 108 108 GLU H H 103 8.578 8.086 0.492 1
2 1304 . 18 1 1 A 108 108 GLU CA C 103 55.883 59.601 -3.718 1
2 1305 . 18 1 1 A 108 108 GLU HA H 103 4.280 3.988 0.292 1
2 1306 . 18 1 1 A 108 108 GLU CB C 103 29.902 29.377 0.525 1
2 1312 . 18 1 1 A 108 108 GLU C C 103 175.670 178.180 -2.510 1
2 1313 . 18 1 1 A 109 109 GLU N N 104 122.847 119.070 3.777 1
2 1314 . 18 1 1 A 109 109 GLU H H 104 8.459 7.736 0.723 1
2 1315 . 18 1 1 A 109 109 GLU CA C 104 55.902 55.923 -0.021 1
2 1316 . 18 1 1 A 109 109 GLU HA H 104 4.267 4.304 -0.037 1
2 1317 . 18 1 1 A 109 109 GLU CB C 104 29.985 28.665 1.320 1
2 1322 . 18 1 1 A 109 109 GLU C C 104 174.661 175.197 -0.536 1
2 3 . 19 1 1 A 2 2 SER N N -4 115.528 117.994 -2.466 1
2 4 . 19 1 1 A 2 2 SER H H -4 8.751 8.342 0.409 1
2 5 . 19 1 1 A 2 2 SER CA C -4 57.687 59.121 -1.434 1
2 6 . 19 1 1 A 2 2 SER HA H -4 4.451 4.473 -0.022 1
2 7 . 19 1 1 A 2 2 SER CB C -4 63.389 65.629 -2.240 1
2 8 . 19 1 1 A 2 2 SER C C -4 173.913 172.864 1.049 1
2 9 . 19 1 1 A 3 3 HIS N N -3 120.998 115.550 5.448 1
2 10 . 19 1 1 A 3 3 HIS H H -3 8.769 7.775 0.994 1
2 11 . 19 1 1 A 3 3 HIS CA C -3 55.010 54.557 0.453 1
2 12 . 19 1 1 A 3 3 HIS HA H -3 4.707 4.959 -0.252 1
2 13 . 19 1 1 A 3 3 HIS CB C -3 28.916 31.523 -2.607 1
2 16 . 19 1 1 A 3 3 HIS C C -3 174.207 175.138 -0.931 1
2 17 . 19 1 1 A 4 4 MET N N -2 122.227 123.000 -0.773 1
2 18 . 19 1 1 A 4 4 MET H H -2 8.518 8.778 -0.260 1
2 19 . 19 1 1 A 4 4 MET CA C -2 55.014 56.314 -1.300 1
2 20 . 19 1 1 A 4 4 MET HA H -2 4.418 4.011 0.407 1
2 21 . 19 1 1 A 4 4 MET CB C -2 32.678 31.252 1.426 1
2 31 . 19 1 1 A 4 4 MET C C -2 175.481 175.517 -0.036 1
2 49 . 19 1 1 A 7 7 ALA N N 2 124.549 122.761 1.788 1
2 50 . 19 1 1 A 7 7 ALA H H 2 8.453 8.432 0.021 1
2 51 . 19 1 1 A 7 7 ALA CA C 2 53.221 55.217 -1.996 1
2 52 . 19 1 1 A 7 7 ALA HA H 2 4.194 3.997 0.197 1
2 56 . 19 1 1 A 7 7 ALA CB C 2 18.431 18.387 0.044 1
2 57 . 19 1 1 A 7 7 ALA C C 2 178.162 179.513 -1.351 1
2 58 . 19 1 1 A 8 8 ASP N N 3 118.618 118.334 0.284 1
2 59 . 19 1 1 A 8 8 ASP H H 3 8.064 7.793 0.271 1
2 60 . 19 1 1 A 8 8 ASP CA C 3 54.124 57.212 -3.088 1
2 61 . 19 1 1 A 8 8 ASP HA H 3 4.539 4.463 0.076 1
2 62 . 19 1 1 A 8 8 ASP CB C 3 40.341 40.752 -0.411 1
2 65 . 19 1 1 A 8 8 ASP C C 3 176.694 178.549 -1.855 1
2 66 . 19 1 1 A 9 9 LEU N N 4 123.427 121.076 2.351 1
2 67 . 19 1 1 A 9 9 LEU H H 4 8.202 7.718 0.484 1
2 68 . 19 1 1 A 9 9 LEU CA C 4 57.495 57.985 -0.490 1
2 69 . 19 1 1 A 9 9 LEU HA H 4 4.086 4.092 -0.006 1
2 70 . 19 1 1 A 9 9 LEU CB C 4 41.905 41.664 0.241 1
2 82 . 19 1 1 A 9 9 LEU C C 4 178.839 178.736 0.103 1
2 83 . 19 1 1 A 10 10 VAL N N 5 119.385 119.188 0.197 1
2 84 . 19 1 1 A 10 10 VAL H H 5 8.186 8.698 -0.512 1
2 85 . 19 1 1 A 10 10 VAL CA C 5 66.585 66.589 -0.004 1
2 86 . 19 1 1 A 10 10 VAL HA H 5 3.420 3.524 -0.104 1
2 87 . 19 1 1 A 10 10 VAL CB C 5 31.177 31.614 -0.437 1
2 97 . 19 1 1 A 10 10 VAL C C 5 177.439 177.810 -0.371 1
2 98 . 19 1 1 A 11 11 SER N N 6 115.027 116.136 -1.109 1
2 99 . 19 1 1 A 11 11 SER H H 6 8.252 8.139 0.113 1
2 100 . 19 1 1 A 11 11 SER CA C 6 61.152 62.195 -1.043 1
2 101 . 19 1 1 A 11 11 SER HA H 6 4.055 4.114 -0.059 1
2 102 . 19 1 1 A 11 11 SER CB C 6 62.161 62.681 -0.520 1
2 105 . 19 1 1 A 11 11 SER C C 6 176.036 176.308 -0.272 1
2 106 . 19 1 1 A 12 12 SER N N 7 115.144 115.485 -0.341 1
2 107 . 19 1 1 A 12 12 SER H H 7 8.053 8.367 -0.314 1
2 108 . 19 1 1 A 12 12 SER CA C 7 60.168 61.450 -1.282 1
2 109 . 19 1 1 A 12 12 SER HA H 7 4.284 4.202 0.082 1
2 110 . 19 1 1 A 12 12 SER CB C 7 62.706 62.568 0.138 1
2 113 . 19 1 1 A 12 12 SER C C 7 176.540 176.769 -0.229 1
2 114 . 19 1 1 A 13 13 CYS N N 8 118.211 119.910 -1.699 1
2 115 . 19 1 1 A 13 13 CYS H H 8 7.919 8.420 -0.501 1
2 116 . 19 1 1 A 13 13 CYS CA C 8 63.651 63.914 -0.263 1
2 117 . 19 1 1 A 13 13 CYS HA H 8 4.026 4.053 -0.027 1
2 118 . 19 1 1 A 13 13 CYS CB C 8 26.641 27.221 -0.580 1
2 121 . 19 1 1 A 13 13 CYS C C 8 175.645 177.310 -1.665 1
2 122 . 19 1 1 A 14 14 LYS N N 9 120.074 121.352 -1.278 1
2 123 . 19 1 1 A 14 14 LYS H H 9 8.632 7.889 0.743 1
2 124 . 19 1 1 A 14 14 LYS CA C 9 60.441 59.496 0.945 1
2 125 . 19 1 1 A 14 14 LYS HA H 9 3.672 4.039 -0.367 1
2 126 . 19 1 1 A 14 14 LYS CB C 9 31.685 32.164 -0.479 1
2 138 . 19 1 1 A 14 14 LYS C C 9 177.615 177.986 -0.371 1
2 139 . 19 1 1 A 15 15 ASP N N 10 117.613 119.958 -2.345 1
2 140 . 19 1 1 A 15 15 ASP H H 10 7.732 8.318 -0.586 1
2 141 . 19 1 1 A 15 15 ASP CA C 10 56.175 57.465 -1.290 1
2 142 . 19 1 1 A 15 15 ASP HA H 10 4.307 4.253 0.054 1
2 143 . 19 1 1 A 15 15 ASP CB C 10 40.056 41.310 -1.254 1
2 146 . 19 1 1 A 15 15 ASP C C 10 177.650 178.596 -0.946 1
2 147 . 19 1 1 A 16 16 LYS N N 11 117.878 117.815 0.063 1
2 148 . 19 1 1 A 16 16 LYS H H 11 7.254 8.119 -0.865 1
2 149 . 19 1 1 A 16 16 LYS CA C 11 58.962 59.114 -0.152 1
2 150 . 19 1 1 A 16 16 LYS HA H 11 3.645 4.147 -0.502 1
2 151 . 19 1 1 A 16 16 LYS CB C 11 32.951 32.401 0.550 1
2 160 . 19 1 1 A 16 16 LYS C C 11 177.263 178.966 -1.703 1
2 161 . 19 1 1 A 17 17 LEU N N 12 115.652 121.299 -5.647 1
2 162 . 19 1 1 A 17 17 LEU H H 12 8.138 8.316 -0.178 1
2 163 . 19 1 1 A 17 17 LEU CA C 12 56.726 58.006 -1.280 1
2 164 . 19 1 1 A 17 17 LEU HA H 12 3.579 4.181 -0.602 1
2 165 . 19 1 1 A 17 17 LEU CB C 12 41.959 41.184 0.775 1
2 176 . 19 1 1 A 17 17 LEU C C 12 177.485 178.597 -1.112 1
2 177 . 19 1 1 A 18 18 ALA N N 13 116.044 121.162 -5.118 1
2 178 . 19 1 1 A 18 18 ALA H H 13 7.080 8.601 -1.521 1
2 179 . 19 1 1 A 18 18 ALA CA C 13 53.389 54.807 -1.418 1
2 180 . 19 1 1 A 18 18 ALA HA H 13 3.963 4.127 -0.164 1
2 184 . 19 1 1 A 18 18 ALA CB C 13 18.161 18.518 -0.357 1
2 185 . 19 1 1 A 18 18 ALA C C 13 178.207 179.406 -1.199 1
2 186 . 19 1 1 A 19 19 TYR N N 14 115.556 119.842 -4.286 1
2 187 . 19 1 1 A 19 19 TYR H H 14 7.675 7.816 -0.141 1
2 188 . 19 1 1 A 19 19 TYR CA C 14 58.647 60.312 -1.665 1
2 189 . 19 1 1 A 19 19 TYR HA H 14 4.304 4.196 0.108 1
2 190 . 19 1 1 A 19 19 TYR CB C 14 38.609 38.909 -0.300 1
2 199 . 19 1 1 A 19 19 TYR C C 14 175.911 175.804 0.107 1
2 200 . 19 1 1 A 20 20 PHE N N 15 118.275 119.110 -0.835 1
2 201 . 19 1 1 A 20 20 PHE H H 15 7.406 7.776 -0.370 1
2 202 . 19 1 1 A 20 20 PHE CA C 15 56.615 57.254 -0.639 1
2 203 . 19 1 1 A 20 20 PHE HA H 15 4.649 4.711 -0.062 1
2 204 . 19 1 1 A 20 20 PHE CB C 15 38.750 40.359 -1.609 1
2 215 . 19 1 1 A 20 20 PHE C C 15 176.160 175.745 0.415 1
2 216 . 19 1 1 A 21 21 ARG N N 16 119.140 122.681 -3.541 1
2 217 . 19 1 1 A 21 21 ARG H H 16 8.714 8.737 -0.023 1
2 218 . 19 1 1 A 21 21 ARG CA C 16 54.349 56.427 -2.078 1
2 219 . 19 1 1 A 21 21 ARG HA H 16 4.751 4.342 0.409 1
2 220 . 19 1 1 A 21 21 ARG CB C 16 30.097 31.267 -1.170 1
2 236 . 19 1 1 A 21 21 ARG C C 16 177.095 177.773 -0.678 1
2 237 . 19 1 1 A 22 22 ILE N N 17 120.734 122.247 -1.513 1
2 238 . 19 1 1 A 22 22 ILE H H 17 8.708 8.809 -0.101 1
2 239 . 19 1 1 A 22 22 ILE CA C 17 65.145 64.549 0.596 1
2 240 . 19 1 1 A 22 22 ILE HA H 17 3.720 3.707 0.013 1
2 241 . 19 1 1 A 22 22 ILE CB C 17 36.857 37.626 -0.769 1
2 254 . 19 1 1 A 22 22 ILE C C 17 176.745 177.990 -1.245 1
2 255 . 19 1 1 A 23 23 LYS N N 18 118.184 122.048 -3.864 1
2 256 . 19 1 1 A 23 23 LYS H H 18 8.267 8.216 0.051 1
2 257 . 19 1 1 A 23 23 LYS CA C 18 59.829 59.715 0.114 1
2 258 . 19 1 1 A 23 23 LYS HA H 18 3.897 3.905 -0.008 1
2 259 . 19 1 1 A 23 23 LYS CB C 18 32.268 32.452 -0.184 1
2 271 . 19 1 1 A 23 23 LYS C C 18 178.159 178.857 -0.698 1
2 272 . 19 1 1 A 24 24 GLU N N 19 117.654 119.082 -1.428 1
2 273 . 19 1 1 A 24 24 GLU H H 19 7.198 7.783 -0.585 1
2 274 . 19 1 1 A 24 24 GLU CA C 19 60.612 58.979 1.633 1
2 275 . 19 1 1 A 24 24 GLU HA H 19 4.030 3.911 0.119 1
2 276 . 19 1 1 A 24 24 GLU CB C 19 28.859 29.136 -0.277 1
2 282 . 19 1 1 A 24 24 GLU C C 19 178.521 179.023 -0.502 1
2 283 . 19 1 1 A 25 25 LEU N N 20 119.236 120.159 -0.923 1
2 284 . 19 1 1 A 25 25 LEU H H 20 7.980 8.250 -0.270 1
2 285 . 19 1 1 A 25 25 LEU CA C 20 57.676 58.040 -0.364 1
2 286 . 19 1 1 A 25 25 LEU HA H 20 3.904 3.985 -0.081 1
2 287 . 19 1 1 A 25 25 LEU CB C 20 42.218 41.344 0.874 1
2 294 . 19 1 1 A 25 25 LEU C C 20 177.990 179.548 -1.558 1
2 295 . 19 1 1 A 26 26 LYS N N 21 117.457 121.092 -3.635 1
2 296 . 19 1 1 A 26 26 LYS H H 21 8.770 8.447 0.323 1
2 297 . 19 1 1 A 26 26 LYS CA C 21 60.660 59.597 1.063 1
2 298 . 19 1 1 A 26 26 LYS HA H 21 3.787 4.009 -0.222 1
2 299 . 19 1 1 A 26 26 LYS CB C 21 31.876 31.971 -0.095 1
2 300 . 19 1 1 A 26 26 LYS C C 21 177.625 178.606 -0.981 1
2 301 . 19 1 1 A 27 27 ASP N N 22 119.023 119.528 -0.505 1
2 302 . 19 1 1 A 27 27 ASP H H 22 7.671 8.234 -0.563 1
2 303 . 19 1 1 A 27 27 ASP CA C 22 56.974 57.191 -0.217 1
2 304 . 19 1 1 A 27 27 ASP HA H 22 4.392 4.745 -0.353 1
2 305 . 19 1 1 A 27 27 ASP CB C 22 40.250 40.487 -0.237 1
2 308 . 19 1 1 A 27 27 ASP C C 22 180.796 178.840 1.956 1
2 309 . 19 1 1 A 28 28 ILE N N 23 119.318 120.212 -0.894 1
2 310 . 19 1 1 A 28 28 ILE H H 23 8.039 7.870 0.169 1
2 311 . 19 1 1 A 28 28 ILE CA C 23 65.365 65.614 -0.249 1
2 312 . 19 1 1 A 28 28 ILE HA H 23 3.587 3.624 -0.037 1
2 313 . 19 1 1 A 28 28 ILE CB C 23 37.408 38.165 -0.757 1
2 326 . 19 1 1 A 28 28 ILE C C 23 177.265 178.186 -0.921 1
2 327 . 19 1 1 A 29 29 LEU N N 24 120.356 120.884 -0.528 1
2 328 . 19 1 1 A 29 29 LEU H H 24 8.220 8.289 -0.069 1
2 329 . 19 1 1 A 29 29 LEU CA C 24 58.562 58.038 0.524 1
2 330 . 19 1 1 A 29 29 LEU HA H 24 3.806 4.015 -0.209 1
2 331 . 19 1 1 A 29 29 LEU CB C 24 39.477 41.239 -1.762 1
2 339 . 19 1 1 A 29 29 LEU C C 24 178.572 178.632 -0.060 1
2 340 . 19 1 1 A 30 30 ASN N N 25 117.446 118.485 -1.039 1
2 341 . 19 1 1 A 30 30 ASN H H 25 8.688 9.021 -0.333 1
2 342 . 19 1 1 A 30 30 ASN CA C 25 56.092 55.817 0.275 1
2 343 . 19 1 1 A 30 30 ASN HA H 25 4.493 4.477 0.016 1
2 344 . 19 1 1 A 30 30 ASN CB C 25 38.809 37.917 0.892 1
2 351 . 19 1 1 A 30 30 ASN C C 25 178.884 177.289 1.595 1
2 352 . 19 1 1 A 31 31 GLN N N 26 119.946 118.214 1.732 1
2 353 . 19 1 1 A 31 31 GLN H H 26 8.184 7.803 0.381 1
2 354 . 19 1 1 A 31 31 GLN CA C 26 58.786 58.418 0.368 1
2 355 . 19 1 1 A 31 31 GLN HA H 26 4.041 4.181 -0.140 1
2 356 . 19 1 1 A 31 31 GLN CB C 26 29.089 28.187 0.902 1
2 366 . 19 1 1 A 31 31 GLN C C 26 177.656 179.154 -1.498 1
2 367 . 19 1 1 A 32 32 LEU N N 27 116.979 117.943 -0.964 1
2 368 . 19 1 1 A 32 32 LEU H H 27 7.893 7.670 0.223 1
2 369 . 19 1 1 A 32 32 LEU CA C 27 54.545 56.042 -1.497 1
2 370 . 19 1 1 A 32 32 LEU HA H 27 4.227 4.141 0.086 1
2 371 . 19 1 1 A 32 32 LEU CB C 27 42.063 42.511 -0.448 1
2 382 . 19 1 1 A 32 32 LEU C C 27 175.733 177.156 -1.423 1
2 383 . 19 1 1 A 33 33 GLY N N 28 108.299 106.508 1.791 1
2 384 . 19 1 1 A 33 33 GLY H H 28 7.834 7.638 0.196 1
2 385 . 19 1 1 A 33 33 GLY CA C 28 45.707 46.273 -0.566 1
2 386 . 19 1 1 A 33 33 GLY HA2 H 28 3.952 3.927 0.025 1
2 387 . 19 1 1 A 33 33 GLY HA3 H 28 3.952 3.928 0.024 1
2 388 . 19 1 1 A 33 33 GLY C C 28 174.317 174.319 -0.002 1
2 389 . 19 1 1 A 34 34 LEU N N 29 120.833 122.658 -1.825 1
2 390 . 19 1 1 A 34 34 LEU H H 29 7.986 7.594 0.392 1
2 391 . 19 1 1 A 34 34 LEU CA C 29 51.558 51.643 -0.085 1
2 392 . 19 1 1 A 34 34 LEU HA H 29 4.744 4.638 0.106 1
2 393 . 19 1 1 A 34 34 LEU CB C 29 43.525 42.860 0.665 1
2 405 . 19 1 1 A 35 35 PRO CA C 30 62.707 62.309 0.398 1
2 406 . 19 1 1 A 35 35 PRO HA H 30 4.351 4.638 -0.287 1
2 407 . 19 1 1 A 35 35 PRO CB C 30 31.919 29.221 2.698 1
2 415 . 19 1 1 A 35 35 PRO C C 30 177.488 175.188 2.300 1
2 416 . 19 1 1 A 36 36 LYS N N 31 117.590 122.443 -4.853 1
2 417 . 19 1 1 A 36 36 LYS H H 31 8.380 8.699 -0.319 1
2 418 . 19 1 1 A 36 36 LYS CA C 31 55.660 56.839 -1.179 1
2 419 . 19 1 1 A 36 36 LYS HA H 31 4.286 4.558 -0.272 1
2 420 . 19 1 1 A 36 36 LYS CB C 31 33.239 35.575 -2.336 1
2 430 . 19 1 1 A 36 36 LYS C C 31 174.384 176.195 -1.811 1
2 431 . 19 1 1 A 37 37 GLN N N 32 118.260 118.255 0.005 1
2 432 . 19 1 1 A 37 37 GLN H H 32 7.698 8.056 -0.358 1
2 433 . 19 1 1 A 37 37 GLN CA C 32 55.550 58.041 -2.491 1
2 434 . 19 1 1 A 37 37 GLN HA H 32 4.376 4.258 0.118 1
2 435 . 19 1 1 A 37 37 GLN CB C 32 28.221 27.431 0.790 1
2 445 . 19 1 1 A 37 37 GLN C C 32 175.222 174.281 0.941 1
2 446 . 19 1 1 A 38 38 GLY N N 33 109.855 108.528 1.327 1
2 447 . 19 1 1 A 38 38 GLY H H 33 8.449 8.503 -0.054 1
2 448 . 19 1 1 A 38 38 GLY CA C 33 43.235 44.611 -1.376 1
2 449 . 19 1 1 A 38 38 GLY HA2 H 33 4.566 4.158 0.408 1
2 450 . 19 1 1 A 38 38 GLY HA3 H 33 3.789 4.159 -0.370 1
2 451 . 19 1 1 A 38 38 GLY C C 33 173.603 173.015 0.588 1
2 452 . 19 1 1 A 39 39 LYS N N 34 117.627 118.895 -1.268 1
2 453 . 19 1 1 A 39 39 LYS H H 34 8.649 8.391 0.258 1
2 454 . 19 1 1 A 39 39 LYS CA C 34 54.563 56.054 -1.491 1
2 455 . 19 1 1 A 39 39 LYS HA H 34 4.394 4.329 0.065 1
2 456 . 19 1 1 A 39 39 LYS CB C 34 32.892 33.257 -0.365 1
2 468 . 19 1 1 A 39 39 LYS C C 34 176.803 177.606 -0.803 1
2 469 . 19 1 1 A 40 40 LYS N N 35 121.705 119.217 2.488 1
2 470 . 19 1 1 A 40 40 LYS H H 35 8.920 8.899 0.021 1
2 471 . 19 1 1 A 40 40 LYS CA C 35 61.559 59.771 1.788 1
2 472 . 19 1 1 A 40 40 LYS HA H 35 3.597 3.918 -0.321 1
2 473 . 19 1 1 A 40 40 LYS CB C 35 31.953 32.215 -0.262 1
2 485 . 19 1 1 A 40 40 LYS C C 35 177.362 178.407 -1.045 1
2 486 . 19 1 1 A 41 41 GLN N N 36 114.637 119.164 -4.527 1
2 487 . 19 1 1 A 41 41 GLN H H 36 9.017 7.855 1.162 1
2 488 . 19 1 1 A 41 41 GLN CA C 36 57.638 58.938 -1.300 1
2 489 . 19 1 1 A 41 41 GLN HA H 36 3.719 4.005 -0.286 1
2 490 . 19 1 1 A 41 41 GLN CB C 36 27.865 28.128 -0.263 1
2 500 . 19 1 1 A 41 41 GLN C C 36 176.975 178.364 -1.389 1
2 501 . 19 1 1 A 42 42 ASP N N 37 115.984 120.402 -4.418 1
2 502 . 19 1 1 A 42 42 ASP H H 37 7.049 8.133 -1.084 1
2 503 . 19 1 1 A 42 42 ASP CA C 37 56.424 57.481 -1.057 1
2 504 . 19 1 1 A 42 42 ASP HA H 37 4.303 4.334 -0.031 1
2 505 . 19 1 1 A 42 42 ASP CB C 37 39.955 40.800 -0.845 1
2 508 . 19 1 1 A 42 42 ASP C C 37 178.454 178.894 -0.440 1
2 509 . 19 1 1 A 43 43 LEU N N 38 119.074 120.300 -1.226 1
2 510 . 19 1 1 A 43 43 LEU H H 38 7.725 8.220 -0.495 1
2 511 . 19 1 1 A 43 43 LEU CA C 38 57.716 58.008 -0.292 1
2 512 . 19 1 1 A 43 43 LEU HA H 38 3.794 3.973 -0.179 1
2 513 . 19 1 1 A 43 43 LEU CB C 38 40.211 42.211 -2.000 1
2 526 . 19 1 1 A 43 43 LEU C C 38 177.872 178.989 -1.117 1
2 527 . 19 1 1 A 44 44 ILE N N 39 118.343 118.664 -0.321 1
2 528 . 19 1 1 A 44 44 ILE H H 39 7.867 8.119 -0.252 1
2 529 . 19 1 1 A 44 44 ILE CA C 39 66.211 65.789 0.422 1
2 530 . 19 1 1 A 44 44 ILE HA H 39 3.319 3.508 -0.189 1
2 531 . 19 1 1 A 44 44 ILE CB C 39 37.985 37.813 0.172 1
2 541 . 19 1 1 A 44 44 ILE C C 39 177.711 177.771 -0.060 1
2 542 . 19 1 1 A 45 45 ASP N N 40 118.535 120.933 -2.398 1
2 543 . 19 1 1 A 45 45 ASP H H 40 8.503 8.441 0.062 1
2 544 . 19 1 1 A 45 45 ASP CA C 40 56.817 57.345 -0.528 1
2 545 . 19 1 1 A 45 45 ASP HA H 40 4.256 4.438 -0.182 1
2 546 . 19 1 1 A 45 45 ASP CB C 40 39.815 40.823 -1.008 1
2 549 . 19 1 1 A 45 45 ASP C C 40 178.464 178.909 -0.445 1
2 550 . 19 1 1 A 46 46 ARG N N 41 120.910 119.843 1.067 1
2 551 . 19 1 1 A 46 46 ARG H H 41 7.717 8.024 -0.307 1
2 552 . 19 1 1 A 46 46 ARG CA C 41 59.054 59.713 -0.659 1
2 553 . 19 1 1 A 46 46 ARG HA H 41 3.993 4.042 -0.049 1
2 554 . 19 1 1 A 46 46 ARG CB C 41 29.778 30.017 -0.239 1
2 563 . 19 1 1 A 46 46 ARG C C 41 177.565 178.246 -0.681 1
2 564 . 19 1 1 A 47 47 VAL N N 42 117.438 119.036 -1.598 1
2 565 . 19 1 1 A 47 47 VAL H H 42 7.445 7.900 -0.455 1
2 566 . 19 1 1 A 47 47 VAL CA C 42 66.095 66.404 -0.309 1
2 567 . 19 1 1 A 47 47 VAL HA H 42 3.446 3.689 -0.243 1
2 568 . 19 1 1 A 47 47 VAL CB C 42 31.113 31.744 -0.631 1
2 578 . 19 1 1 A 47 47 VAL C C 42 177.710 178.241 -0.531 1
2 579 . 19 1 1 A 48 48 LEU N N 43 117.085 117.911 -0.826 1
2 580 . 19 1 1 A 48 48 LEU H H 43 8.466 8.020 0.446 1
2 581 . 19 1 1 A 48 48 LEU CA C 43 57.406 57.814 -0.408 1
2 582 . 19 1 1 A 48 48 LEU HA H 43 3.851 3.933 -0.082 1
2 583 . 19 1 1 A 48 48 LEU CB C 43 40.779 41.075 -0.296 1
2 596 . 19 1 1 A 48 48 LEU C C 43 179.581 179.415 0.166 1
2 597 . 19 1 1 A 49 49 ALA N N 44 120.480 121.828 -1.348 1
2 598 . 19 1 1 A 49 49 ALA H H 44 7.952 8.136 -0.184 1
2 599 . 19 1 1 A 49 49 ALA CA C 44 53.998 55.032 -1.034 1
2 600 . 19 1 1 A 49 49 ALA HA H 44 4.104 4.077 0.027 1
2 604 . 19 1 1 A 49 49 ALA CB C 44 17.685 18.407 -0.722 1
2 605 . 19 1 1 A 49 49 ALA C C 44 178.926 180.392 -1.466 1
2 606 . 19 1 1 A 50 50 LEU N N 45 115.306 119.983 -4.677 1
2 607 . 19 1 1 A 50 50 LEU H H 45 7.428 8.009 -0.581 1
2 608 . 19 1 1 A 50 50 LEU CA C 45 55.650 57.733 -2.083 1
2 609 . 19 1 1 A 50 50 LEU HA H 45 4.206 4.054 0.152 1
2 610 . 19 1 1 A 50 50 LEU CB C 45 41.937 42.004 -0.067 1
2 623 . 19 1 1 A 50 50 LEU C C 45 177.840 179.391 -1.551 1
2 624 . 19 1 1 A 51 51 LEU N N 46 115.880 117.355 -1.475 1
2 625 . 19 1 1 A 51 51 LEU H H 46 7.642 8.210 -0.568 1
2 626 . 19 1 1 A 51 51 LEU CA C 46 54.861 56.639 -1.778 1
2 627 . 19 1 1 A 51 51 LEU HA H 46 4.260 4.156 0.104 1
2 628 . 19 1 1 A 51 51 LEU CB C 46 42.228 41.700 0.528 1
2 638 . 19 1 1 A 51 51 LEU C C 46 176.015 177.829 -1.814 1
2 639 . 19 1 1 A 52 52 THR N N 47 109.201 112.541 -3.340 1
2 640 . 19 1 1 A 52 52 THR H H 47 7.515 7.508 0.007 1
2 641 . 19 1 1 A 52 52 THR CA C 47 60.972 64.509 -3.537 1
2 642 . 19 1 1 A 52 52 THR HA H 47 4.345 4.317 0.028 1
2 643 . 19 1 1 A 52 52 THR CB C 47 69.620 69.228 0.392 1
2 649 . 19 1 1 A 52 52 THR C C 47 173.733 175.474 -1.741 1
2 650 . 19 1 1 A 53 53 ASP N N 48 122.188 120.113 2.075 1
2 651 . 19 1 1 A 53 53 ASP H H 48 8.280 8.456 -0.176 1
2 652 . 19 1 1 A 53 53 ASP CA C 48 54.205 56.673 -2.468 1
2 653 . 19 1 1 A 53 53 ASP HA H 48 4.686 4.412 0.274 1
2 654 . 19 1 1 A 53 53 ASP CB C 48 40.766 40.504 0.262 1
2 658 . 19 1 1 A 53 53 ASP C C 48 176.000 176.696 -0.696 1
2 659 . 19 1 1 A 54 54 GLU N N 49 121.966 118.269 3.697 1
2 660 . 19 1 1 A 54 54 GLU H H 49 8.589 7.758 0.831 1
2 661 . 19 1 1 A 54 54 GLU CA C 49 56.448 55.642 0.806 1
2 662 . 19 1 1 A 54 54 GLU HA H 49 4.234 4.649 -0.415 1
2 663 . 19 1 1 A 54 54 GLU CB C 49 29.642 30.758 -1.116 1
2 669 . 19 1 1 A 54 54 GLU C C 49 176.522 176.817 -0.295 1
2 670 . 19 1 1 A 55 55 GLN N N 50 120.727 119.071 1.656 1
2 671 . 19 1 1 A 55 55 GLN H H 50 8.642 7.679 0.963 1
2 672 . 19 1 1 A 55 55 GLN CA C 50 56.251 55.580 0.671 1
2 673 . 19 1 1 A 55 55 GLN HA H 50 4.217 4.202 0.015 1
2 674 . 19 1 1 A 55 55 GLN CB C 50 28.555 29.116 -0.561 1
2 684 . 19 1 1 A 55 55 GLN C C 50 176.519 176.804 -0.285 1
2 685 . 19 1 1 A 56 56 GLY N N 51 109.357 108.903 0.454 1
2 686 . 19 1 1 A 56 56 GLY H H 51 8.519 8.008 0.511 1
2 687 . 19 1 1 A 56 56 GLY CA C 51 45.276 46.633 -1.357 1
2 688 . 19 1 1 A 56 56 GLY HA2 H 51 3.950 3.889 0.061 1
2 689 . 19 1 1 A 56 56 GLY HA3 H 51 3.809 3.919 -0.110 1
2 690 . 19 1 1 A 56 56 GLY C C 51 174.146 175.222 -1.076 1
2 691 . 19 1 1 A 57 57 GLN N N 52 119.207 117.266 1.941 1
2 692 . 19 1 1 A 57 57 GLN H H 52 8.263 8.226 0.037 1
2 693 . 19 1 1 A 57 57 GLN CA C 52 55.572 56.263 -0.691 1
2 694 . 19 1 1 A 57 57 GLN HA H 52 4.203 4.422 -0.219 1
2 695 . 19 1 1 A 57 57 GLN CB C 52 28.656 29.688 -1.032 1
2 705 . 19 1 1 A 57 57 GLN C C 52 175.872 176.844 -0.972 1
2 706 . 19 1 1 A 58 58 ARG N N 53 120.525 114.008 6.517 1
2 707 . 19 1 1 A 58 58 ARG H H 53 8.279 8.031 0.248 1
2 708 . 19 1 1 A 58 58 ARG CA C 53 55.883 55.847 0.036 1
2 709 . 19 1 1 A 58 58 ARG HA H 53 4.176 4.578 -0.402 1
2 710 . 19 1 1 A 58 58 ARG CB C 53 30.031 30.779 -0.748 1
2 721 . 19 1 1 A 58 58 ARG C C 53 175.820 175.575 0.245 1
2 722 . 19 1 1 A 59 59 HIS N N 54 118.905 117.111 1.794 1
2 723 . 19 1 1 A 59 59 HIS H H 54 8.398 7.624 0.774 1
2 724 . 19 1 1 A 59 59 HIS CA C 54 54.908 55.196 -0.288 1
2 725 . 19 1 1 A 59 59 HIS HA H 54 4.548 4.731 -0.183 1
2 726 . 19 1 1 A 59 59 HIS CB C 54 28.953 31.014 -2.061 1
2 729 . 19 1 1 A 59 59 HIS C C 54 174.136 173.212 0.924 1
2 730 . 19 1 1 A 60 60 HIS N N 55 119.527 119.017 0.510 1
2 731 . 19 1 1 A 60 60 HIS H H 55 8.493 8.374 0.119 1
2 732 . 19 1 1 A 60 60 HIS CA C 55 55.274 55.599 -0.325 1
2 733 . 19 1 1 A 60 60 HIS HA H 55 4.552 4.003 0.549 1
2 734 . 19 1 1 A 60 60 HIS CB C 55 28.913 29.977 -1.064 1
2 737 . 19 1 1 A 60 60 HIS C C 55 174.595 175.251 -0.656 1
2 738 . 19 1 1 A 61 61 GLY N N 56 110.215 107.261 2.954 1
2 739 . 19 1 1 A 61 61 GLY H H 56 8.604 7.593 1.011 1
2 740 . 19 1 1 A 61 61 GLY CA C 56 44.977 45.034 -0.057 1
2 741 . 19 1 1 A 61 61 GLY HA2 H 56 3.956 3.815 0.141 1
2 742 . 19 1 1 A 61 61 GLY HA3 H 56 3.831 3.818 0.013 1
2 743 . 19 1 1 A 61 61 GLY C C 56 173.752 174.553 -0.801 1
2 744 . 19 1 1 A 62 62 TRP N N 57 120.700 118.056 2.644 1
2 745 . 19 1 1 A 62 62 TRP H H 57 8.175 7.226 0.949 1
2 746 . 19 1 1 A 62 62 TRP CA C 57 56.929 58.091 -1.162 1
2 747 . 19 1 1 A 62 62 TRP HA H 57 4.663 4.844 -0.181 1
2 748 . 19 1 1 A 62 62 TRP CB C 57 29.142 30.954 -1.812 1
2 763 . 19 1 1 A 62 62 TRP C C 57 176.442 177.263 -0.821 1
2 764 . 19 1 1 A 63 63 GLY N N 58 110.195 108.570 1.625 1
2 765 . 19 1 1 A 63 63 GLY H H 58 8.452 8.551 -0.099 1
2 766 . 19 1 1 A 63 63 GLY CA C 58 45.052 46.673 -1.621 1
2 767 . 19 1 1 A 63 63 GLY HA2 H 58 3.925 4.008 -0.083 1
2 768 . 19 1 1 A 63 63 GLY HA3 H 58 3.833 4.111 -0.278 1
2 769 . 19 1 1 A 63 63 GLY C C 58 173.738 174.421 -0.683 1
2 770 . 19 1 1 A 64 64 ARG N N 59 120.374 119.820 0.554 1
2 771 . 19 1 1 A 64 64 ARG H H 59 8.136 8.407 -0.271 1
2 772 . 19 1 1 A 64 64 ARG CA C 59 55.799 57.158 -1.359 1
2 773 . 19 1 1 A 64 64 ARG HA H 59 4.287 4.133 0.154 1
2 774 . 19 1 1 A 64 64 ARG CB C 59 30.371 29.378 0.993 1
2 785 . 19 1 1 A 64 64 ARG C C 59 176.287 175.319 0.968 1
2 786 . 19 1 1 A 65 65 LYS N N 60 121.593 118.522 3.071 1
2 787 . 19 1 1 A 65 65 LYS H H 60 8.483 8.491 -0.008 1
2 788 . 19 1 1 A 65 65 LYS CA C 60 56.353 57.170 -0.817 1
2 789 . 19 1 1 A 65 65 LYS HA H 60 4.218 4.045 0.173 1
2 790 . 19 1 1 A 65 65 LYS CB C 60 32.260 30.890 1.370 1
2 796 . 19 1 1 A 65 65 LYS C C 60 176.102 177.421 -1.319 1
2 797 . 19 1 1 A 66 66 ASN N N 61 118.654 118.078 0.576 1
2 798 . 19 1 1 A 66 66 ASN H H 61 8.413 8.284 0.129 1
2 799 . 19 1 1 A 66 66 ASN CA C 61 53.055 52.150 0.905 1
2 800 . 19 1 1 A 66 66 ASN HA H 61 4.639 4.679 -0.040 1
2 801 . 19 1 1 A 66 66 ASN CB C 61 38.385 37.702 0.683 1
2 808 . 19 1 1 A 66 66 ASN C C 61 174.531 175.108 -0.577 1
2 809 . 19 1 1 A 67 67 SER N N 62 115.491 111.231 4.260 1
2 810 . 19 1 1 A 67 67 SER H H 62 8.288 8.242 0.046 1
2 811 . 19 1 1 A 67 67 SER CA C 62 57.980 59.424 -1.444 1
2 812 . 19 1 1 A 67 67 SER HA H 62 4.283 4.278 0.005 1
2 813 . 19 1 1 A 67 67 SER CB C 62 63.205 61.156 2.049 1
2 816 . 19 1 1 A 67 67 SER C C 62 173.864 173.927 -0.063 1
2 817 . 19 1 1 A 68 68 LEU N N 63 123.549 115.916 7.633 1
2 818 . 19 1 1 A 68 68 LEU H H 63 8.063 7.856 0.207 1
2 819 . 19 1 1 A 68 68 LEU CA C 63 54.098 54.044 0.054 1
2 820 . 19 1 1 A 68 68 LEU HA H 63 4.481 4.594 -0.113 1
2 821 . 19 1 1 A 68 68 LEU CB C 63 42.494 42.662 -0.168 1
2 834 . 19 1 1 A 68 68 LEU C C 63 176.532 175.869 0.663 1
2 835 . 19 1 1 A 69 69 THR N N 64 112.637 110.034 2.603 1
2 836 . 19 1 1 A 69 69 THR H H 64 7.797 7.440 0.357 1
2 837 . 19 1 1 A 69 69 THR CA C 64 59.915 59.639 0.276 1
2 838 . 19 1 1 A 69 69 THR HA H 64 4.490 4.708 -0.218 1
2 839 . 19 1 1 A 69 69 THR CB C 64 70.852 72.333 -1.481 1
2 845 . 19 1 1 A 69 69 THR C C 64 174.998 175.122 -0.124 1
2 846 . 19 1 1 A 70 70 LYS N N 65 120.128 119.227 0.901 1
2 847 . 19 1 1 A 70 70 LYS H H 65 9.059 8.870 0.189 1
2 848 . 19 1 1 A 70 70 LYS CA C 65 59.535 59.230 0.305 1
2 849 . 19 1 1 A 70 70 LYS HA H 65 3.909 4.017 -0.108 1
2 850 . 19 1 1 A 70 70 LYS CB C 65 31.890 32.111 -0.221 1
2 858 . 19 1 1 A 70 70 LYS C C 65 177.536 178.740 -1.204 1
2 859 . 19 1 1 A 71 71 GLU N N 66 117.667 119.904 -2.237 1
2 860 . 19 1 1 A 71 71 GLU H H 66 8.699 8.448 0.251 1
2 861 . 19 1 1 A 71 71 GLU CA C 66 60.199 59.562 0.637 1
2 862 . 19 1 1 A 71 71 GLU HA H 66 3.806 4.081 -0.275 1
2 863 . 19 1 1 A 71 71 GLU CB C 66 27.986 29.190 -1.204 1
2 870 . 19 1 1 A 71 71 GLU C C 66 178.416 178.687 -0.271 1
2 871 . 19 1 1 A 72 72 ALA N N 67 123.924 122.797 1.127 1
2 872 . 19 1 1 A 72 72 ALA H H 67 7.992 7.504 0.488 1
2 873 . 19 1 1 A 72 72 ALA CA C 67 54.477 54.821 -0.344 1
2 874 . 19 1 1 A 72 72 ALA HA H 67 4.110 4.096 0.014 1
2 878 . 19 1 1 A 72 72 ALA CB C 67 18.301 18.718 -0.417 1
2 879 . 19 1 1 A 72 72 ALA C C 67 178.721 179.701 -0.980 1
2 880 . 19 1 1 A 73 73 VAL N N 68 119.434 118.096 1.338 1
2 881 . 19 1 1 A 73 73 VAL H H 68 8.044 8.092 -0.048 1
2 882 . 19 1 1 A 73 73 VAL CA C 68 66.089 66.640 -0.551 1
2 883 . 19 1 1 A 73 73 VAL HA H 68 3.473 3.503 -0.030 1
2 884 . 19 1 1 A 73 73 VAL CB C 68 31.150 31.709 -0.559 1
2 894 . 19 1 1 A 73 73 VAL C C 68 177.001 178.263 -1.262 1
2 895 . 19 1 1 A 74 74 ALA N N 69 120.671 121.363 -0.692 1
2 896 . 19 1 1 A 74 74 ALA H H 69 8.407 8.202 0.205 1
2 897 . 19 1 1 A 74 74 ALA CA C 69 54.727 55.086 -0.359 1
2 898 . 19 1 1 A 74 74 ALA HA H 69 3.968 4.121 -0.153 1
2 902 . 19 1 1 A 74 74 ALA CB C 69 18.066 18.202 -0.136 1
2 903 . 19 1 1 A 74 74 ALA C C 69 178.820 179.813 -0.993 1
2 904 . 19 1 1 A 75 75 LYS N N 70 118.624 118.275 0.349 1
2 905 . 19 1 1 A 75 75 LYS H H 70 7.930 7.996 -0.066 1
2 906 . 19 1 1 A 75 75 LYS CA C 70 58.807 60.032 -1.225 1
2 907 . 19 1 1 A 75 75 LYS HA H 70 4.086 4.021 0.065 1
2 908 . 19 1 1 A 75 75 LYS CB C 70 31.776 32.152 -0.376 1
2 918 . 19 1 1 A 75 75 LYS C C 70 177.424 178.762 -1.338 1
2 919 . 19 1 1 A 76 76 ILE N N 71 120.234 119.591 0.643 1
2 920 . 19 1 1 A 76 76 ILE H H 71 7.478 7.889 -0.411 1
2 921 . 19 1 1 A 76 76 ILE CA C 71 64.885 64.961 -0.076 1
2 922 . 19 1 1 A 76 76 ILE HA H 71 3.960 3.656 0.304 1
2 923 . 19 1 1 A 76 76 ILE CB C 71 37.810 37.952 -0.142 1
2 936 . 19 1 1 A 76 76 ILE C C 71 179.734 177.864 1.870 1
2 937 . 19 1 1 A 77 77 VAL N N 72 122.502 119.457 3.045 1
2 938 . 19 1 1 A 77 77 VAL H H 72 8.325 7.825 0.500 1
2 939 . 19 1 1 A 77 77 VAL CA C 72 67.450 66.439 1.011 1
2 940 . 19 1 1 A 77 77 VAL HA H 72 3.576 3.582 -0.006 1
2 941 . 19 1 1 A 77 77 VAL CB C 72 30.928 31.642 -0.714 1
2 951 . 19 1 1 A 77 77 VAL C C 72 176.906 178.256 -1.350 1
2 952 . 19 1 1 A 78 78 ASP N N 73 120.524 120.657 -0.133 1
2 953 . 19 1 1 A 78 78 ASP H H 73 8.798 8.305 0.493 1
2 954 . 19 1 1 A 78 78 ASP CA C 73 58.206 57.780 0.426 1
2 955 . 19 1 1 A 78 78 ASP HA H 73 4.379 4.643 -0.264 1
2 956 . 19 1 1 A 78 78 ASP CB C 73 41.420 41.386 0.034 1
2 960 . 19 1 1 A 78 78 ASP C C 73 178.068 178.368 -0.300 1
2 961 . 19 1 1 A 79 79 ASP N N 74 119.761 119.821 -0.060 1
2 962 . 19 1 1 A 79 79 ASP H H 74 9.318 8.120 1.198 1
2 963 . 19 1 1 A 79 79 ASP CA C 74 57.025 57.228 -0.203 1
2 964 . 19 1 1 A 79 79 ASP HA H 74 4.404 4.405 -0.001 1
2 965 . 19 1 1 A 79 79 ASP CB C 74 40.007 40.449 -0.442 1
2 969 . 19 1 1 A 79 79 ASP C C 74 178.813 178.701 0.112 1
2 970 . 19 1 1 A 80 80 THR N N 75 117.342 116.546 0.796 1
2 971 . 19 1 1 A 80 80 THR H H 75 8.084 8.443 -0.359 1
2 972 . 19 1 1 A 80 80 THR CA C 75 66.977 66.426 0.551 1
2 973 . 19 1 1 A 80 80 THR HA H 75 3.826 4.041 -0.215 1
2 974 . 19 1 1 A 80 80 THR CB C 75 67.725 68.326 -0.601 1
2 980 . 19 1 1 A 80 80 THR C C 75 175.367 177.032 -1.665 1
2 981 . 19 1 1 A 81 81 TYR N N 76 123.732 121.256 2.476 1
2 982 . 19 1 1 A 81 81 TYR H H 76 8.830 8.324 0.506 1
2 983 . 19 1 1 A 81 81 TYR CA C 76 61.713 61.807 -0.094 1
2 984 . 19 1 1 A 81 81 TYR HA H 76 4.265 4.453 -0.188 1
2 985 . 19 1 1 A 81 81 TYR CB C 76 38.849 38.497 0.352 1
2 994 . 19 1 1 A 81 81 TYR C C 76 176.700 177.617 -0.917 1
2 995 . 19 1 1 A 82 82 ARG N N 77 118.508 119.466 -0.958 1
2 996 . 19 1 1 A 82 82 ARG H H 77 8.754 7.997 0.757 1
2 997 . 19 1 1 A 82 82 ARG CA C 77 58.792 59.002 -0.210 1
2 998 . 19 1 1 A 82 82 ARG HA H 77 3.890 3.172 0.718 1
2 999 . 19 1 1 A 82 82 ARG CB C 77 29.498 29.774 -0.276 1
2 1015 . 19 1 1 A 82 82 ARG C C 77 178.748 178.532 0.216 1
2 1016 . 19 1 1 A 83 83 LYS N N 78 118.079 119.867 -1.788 1
2 1017 . 19 1 1 A 83 83 LYS H H 78 7.696 7.862 -0.166 1
2 1018 . 19 1 1 A 83 83 LYS CA C 78 58.671 58.844 -0.173 1
2 1019 . 19 1 1 A 83 83 LYS HA H 78 4.024 4.088 -0.064 1
2 1020 . 19 1 1 A 83 83 LYS CB C 78 32.057 31.521 0.536 1
2 1026 . 19 1 1 A 83 83 LYS C C 78 177.743 178.745 -1.002 1
2 1027 . 19 1 1 A 84 84 MET N N 79 118.241 119.536 -1.295 1
2 1028 . 19 1 1 A 84 84 MET H H 79 7.748 8.040 -0.292 1
2 1029 . 19 1 1 A 84 84 MET CA C 79 57.209 58.757 -1.548 1
2 1030 . 19 1 1 A 84 84 MET HA H 79 4.170 4.165 0.005 1
2 1031 . 19 1 1 A 84 84 MET CB C 79 32.320 32.589 -0.269 1
2 1041 . 19 1 1 A 84 84 MET C C 79 177.036 176.634 0.402 1
2 1042 . 19 1 1 A 85 85 GLN N N 80 117.242 117.470 -0.228 1
2 1043 . 19 1 1 A 85 85 GLN H H 80 7.843 7.743 0.100 1
2 1044 . 19 1 1 A 85 85 GLN CA C 80 56.523 55.155 1.368 1
2 1045 . 19 1 1 A 85 85 GLN HA H 80 3.993 4.524 -0.531 1
2 1046 . 19 1 1 A 85 85 GLN CB C 80 28.240 29.821 -1.581 1
2 1056 . 19 1 1 A 85 85 GLN C C 80 176.690 175.585 1.105 1
2 1057 . 19 1 1 A 86 86 ILE N N 81 119.178 116.501 2.677 1
2 1058 . 19 1 1 A 86 86 ILE H H 81 7.715 7.715 0.000 1
2 1059 . 19 1 1 A 86 86 ILE CA C 81 62.073 62.632 -0.559 1
2 1060 . 19 1 1 A 86 86 ILE HA H 81 3.934 3.560 0.374 1
2 1061 . 19 1 1 A 86 86 ILE CB C 81 37.966 36.207 1.759 1
2 1074 . 19 1 1 A 86 86 ILE C C 81 176.673 174.985 1.688 1
2 1075 . 19 1 1 A 87 87 GLN N N 82 121.386 121.208 0.178 1
2 1076 . 19 1 1 A 87 87 GLN H H 82 8.164 7.970 0.194 1
2 1077 . 19 1 1 A 87 87 GLN CA C 82 55.968 57.337 -1.369 1
2 1078 . 19 1 1 A 87 87 GLN HA H 82 4.214 4.106 0.108 1
2 1079 . 19 1 1 A 87 87 GLN CB C 82 28.735 28.413 0.322 1
2 1088 . 19 1 1 A 87 87 GLN C C 82 175.836 176.251 -0.415 1
2 1089 . 19 1 1 A 88 88 CYS N N 83 118.663 122.751 -4.088 1
2 1090 . 19 1 1 A 88 88 CYS H H 83 8.238 8.958 -0.720 1
2 1091 . 19 1 1 A 88 88 CYS CA C 83 57.997 60.013 -2.016 1
2 1092 . 19 1 1 A 88 88 CYS HA H 83 4.467 4.028 0.439 1
2 1093 . 19 1 1 A 88 88 CYS CB C 83 27.582 26.388 1.194 1
2 1096 . 19 1 1 A 88 88 CYS C C 83 173.432 174.095 -0.663 1
2 1097 . 19 1 1 A 89 89 ALA N N 84 127.014 123.984 3.030 1
2 1098 . 19 1 1 A 89 89 ALA H H 84 8.249 7.880 0.369 1
2 1099 . 19 1 1 A 89 89 ALA CA C 84 50.607 50.259 0.348 1
2 1100 . 19 1 1 A 89 89 ALA HA H 84 4.544 4.856 -0.312 1
2 1104 . 19 1 1 A 89 89 ALA CB C 84 17.658 19.800 -2.142 1
2 1105 . 19 1 1 A 89 89 ALA C C 84 175.125 177.426 -2.301 1
2 1107 . 19 1 1 A 90 90 PRO CA C 85 62.995 63.596 -0.601 1
2 1108 . 19 1 1 A 90 90 PRO HA H 85 4.373 4.391 -0.018 1
2 1109 . 19 1 1 A 90 90 PRO CB C 85 31.692 31.984 -0.292 1
2 1117 . 19 1 1 A 90 90 PRO C C 85 176.407 177.035 -0.628 1
2 1118 . 19 1 1 A 91 91 ASP N N 86 119.209 118.752 0.457 1
2 1119 . 19 1 1 A 91 91 ASP H H 86 8.429 8.140 0.289 1
2 1120 . 19 1 1 A 91 91 ASP CA C 86 53.752 54.742 -0.990 1
2 1121 . 19 1 1 A 91 91 ASP HA H 86 4.394 4.343 0.051 1
2 1122 . 19 1 1 A 91 91 ASP CB C 86 40.319 39.067 1.252 1
2 1125 . 19 1 1 A 91 91 ASP C C 86 176.101 176.547 -0.446 1
2 1126 . 19 1 1 A 92 92 LEU N N 87 122.571 122.001 0.570 1
2 1127 . 19 1 1 A 92 92 LEU H H 87 8.208 7.930 0.278 1
2 1128 . 19 1 1 A 92 92 LEU CA C 87 55.286 57.841 -2.555 1
2 1129 . 19 1 1 A 92 92 LEU HA H 87 4.204 4.015 0.189 1
2 1130 . 19 1 1 A 92 92 LEU CB C 87 41.786 42.340 -0.554 1
2 1143 . 19 1 1 A 92 92 LEU C C 87 177.406 176.371 1.035 1
2 1144 . 19 1 1 A 93 93 ALA N N 88 123.131 120.714 2.417 1
2 1145 . 19 1 1 A 93 93 ALA H H 88 8.305 7.941 0.364 1
2 1146 . 19 1 1 A 93 93 ALA CA C 88 52.876 53.305 -0.429 1
2 1147 . 19 1 1 A 93 93 ALA HA H 88 4.263 3.947 0.316 1
2 1151 . 19 1 1 A 93 93 ALA CB C 88 18.672 17.560 1.112 1
2 1152 . 19 1 1 A 93 93 ALA C C 88 178.033 176.292 1.741 1
2 1153 . 19 1 1 A 94 94 THR N N 89 112.097 102.228 9.869 1
2 1154 . 19 1 1 A 94 94 THR H H 89 7.994 8.264 -0.270 1
2 1155 . 19 1 1 A 94 94 THR CA C 89 61.640 63.036 -1.396 1
2 1156 . 19 1 1 A 94 94 THR HA H 89 4.251 3.933 0.318 1
2 1157 . 19 1 1 A 94 94 THR CB C 89 69.063 66.387 2.676 1
2 1163 . 19 1 1 A 94 94 THR C C 89 174.493 173.939 0.554 1
2 1164 . 19 1 1 A 95 95 ARG N N 90 122.704 114.403 8.301 1
2 1165 . 19 1 1 A 95 95 ARG H H 90 8.211 8.230 -0.019 1
2 1166 . 19 1 1 A 95 95 ARG CA C 90 55.718 57.377 -1.659 1
2 1167 . 19 1 1 A 95 95 ARG HA H 90 4.324 4.113 0.211 1
2 1168 . 19 1 1 A 95 95 ARG CB C 90 30.309 27.667 2.642 1
2 1179 . 19 1 1 A 95 95 ARG C C 90 175.927 176.268 -0.341 1
2 1180 . 19 1 1 A 96 96 SER N N 91 116.390 113.709 2.681 1
2 1181 . 19 1 1 A 96 96 SER H H 91 8.365 7.819 0.546 1
2 1182 . 19 1 1 A 96 96 SER CA C 91 57.823 61.040 -3.217 1
2 1183 . 19 1 1 A 96 96 SER HA H 91 4.356 4.279 0.077 1
2 1184 . 19 1 1 A 96 96 SER CB C 91 63.214 63.130 0.084 1
2 1187 . 19 1 1 A 96 96 SER C C 91 174.011 175.757 -1.746 1
2 1188 . 19 1 1 A 97 97 HIS N N 92 120.507 118.211 2.296 1
2 1189 . 19 1 1 A 97 97 HIS H H 92 8.541 7.879 0.662 1
2 1190 . 19 1 1 A 97 97 HIS CA C 92 54.960 54.563 0.397 1
2 1191 . 19 1 1 A 97 97 HIS HA H 92 4.704 4.590 0.114 1
2 1192 . 19 1 1 A 97 97 HIS CB C 92 28.518 27.428 1.090 1
2 1197 . 19 1 1 A 97 97 HIS C C 92 174.186 173.899 0.287 1
2 1198 . 19 1 1 A 98 98 SER N N 93 116.801 118.088 -1.287 1
2 1199 . 19 1 1 A 98 98 SER H H 93 8.455 8.245 0.210 1
2 1200 . 19 1 1 A 98 98 SER CA C 93 57.880 57.062 0.818 1
2 1201 . 19 1 1 A 98 98 SER HA H 93 4.445 4.772 -0.327 1
2 1202 . 19 1 1 A 98 98 SER CB C 93 63.434 65.012 -1.578 1
2 1205 . 19 1 1 A 98 98 SER C C 93 174.508 173.880 0.628 1
2 1206 . 19 1 1 A 99 99 GLY N N 94 111.114 113.290 -2.176 1
2 1207 . 19 1 1 A 99 99 GLY H H 94 8.597 8.771 -0.174 1
2 1208 . 19 1 1 A 99 99 GLY CA C 94 44.888 44.831 0.057 1
2 1209 . 19 1 1 A 99 99 GLY HA2 H 94 3.998 4.145 -0.147 1
2 1210 . 19 1 1 A 99 99 GLY HA3 H 94 3.998 4.145 -0.147 1
2 1211 . 19 1 1 A 99 99 GLY C C 94 173.856 174.774 -0.918 1
2 1212 . 19 1 1 A 100 100 SER N N 95 115.398 115.343 0.055 1
2 1213 . 19 1 1 A 100 100 SER H H 95 8.311 8.402 -0.091 1
2 1214 . 19 1 1 A 100 100 SER CA C 95 57.888 59.802 -1.914 1
2 1215 . 19 1 1 A 100 100 SER HA H 95 4.408 4.294 0.114 1
2 1216 . 19 1 1 A 100 100 SER CB C 95 63.328 62.754 0.574 1
2 1219 . 19 1 1 A 100 100 SER C C 95 173.725 174.210 -0.485 1
2 1220 . 19 1 1 A 101 101 ASP N N 96 121.810 118.342 3.468 1
2 1221 . 19 1 1 A 101 101 ASP H H 96 8.380 8.366 0.014 1
2 1222 . 19 1 1 A 101 101 ASP CA C 96 53.813 54.080 -0.267 1
2 1223 . 19 1 1 A 101 101 ASP HA H 96 4.536 4.835 -0.299 1
2 1224 . 19 1 1 A 101 101 ASP CB C 96 40.438 42.408 -1.970 1
2 1227 . 19 1 1 A 101 101 ASP C C 96 175.524 176.620 -1.096 1
2 1228 . 19 1 1 A 102 102 PHE N N 97 120.706 117.389 3.317 1
2 1229 . 19 1 1 A 102 102 PHE H H 97 8.249 7.995 0.254 1
2 1230 . 19 1 1 A 102 102 PHE CA C 97 57.323 57.885 -0.562 1
2 1231 . 19 1 1 A 102 102 PHE HA H 97 4.527 4.559 -0.032 1
2 1232 . 19 1 1 A 102 102 PHE CB C 97 38.989 39.249 -0.260 1
2 1238 . 19 1 1 A 102 102 PHE C C 97 175.246 175.930 -0.684 1
2 1239 . 19 1 1 A 103 103 SER N N 98 116.992 114.656 2.336 1
2 1240 . 19 1 1 A 103 103 SER H H 98 8.167 7.798 0.369 1
2 1241 . 19 1 1 A 103 103 SER CA C 98 57.883 57.031 0.852 1
2 1242 . 19 1 1 A 103 103 SER HA H 98 4.317 4.786 -0.469 1
2 1243 . 19 1 1 A 103 103 SER CB C 98 63.301 63.871 -0.570 1
2 1246 . 19 1 1 A 103 103 SER C C 98 173.244 173.072 0.172 1
2 1247 . 19 1 1 A 104 104 PHE N N 99 122.000 123.683 -1.683 1
2 1248 . 19 1 1 A 104 104 PHE H H 99 8.170 8.342 -0.172 1
2 1249 . 19 1 1 A 104 104 PHE CA C 99 57.236 56.011 1.225 1
2 1250 . 19 1 1 A 104 104 PHE HA H 99 4.529 4.118 0.411 1
2 1251 . 19 1 1 A 104 104 PHE CB C 99 38.997 37.858 1.139 1
2 1257 . 19 1 1 A 104 104 PHE C C 99 174.632 174.576 0.056 1
2 1258 . 19 1 1 A 105 105 ARG N N 100 124.796 126.026 -1.230 1
2 1259 . 19 1 1 A 105 105 ARG H H 100 8.101 7.705 0.396 1
2 1260 . 19 1 1 A 105 105 ARG CA C 100 52.969 54.639 -1.670 1
2 1261 . 19 1 1 A 105 105 ARG HA H 100 4.516 4.259 0.257 1
2 1262 . 19 1 1 A 105 105 ARG CB C 100 30.069 29.621 0.448 1
2 1271 . 19 1 1 A 105 105 ARG C C 100 172.924 174.100 -1.176 1
2 1273 . 19 1 1 A 106 106 PRO CA C 101 62.673 62.297 0.376 1
2 1274 . 19 1 1 A 106 106 PRO HA H 101 4.351 4.575 -0.224 1
2 1275 . 19 1 1 A 106 106 PRO CB C 101 31.726 33.376 -1.650 1
2 1283 . 19 1 1 A 106 106 PRO C C 101 176.395 176.477 -0.082 1
2 1284 . 19 1 1 A 107 107 ILE N N 102 121.380 121.059 0.321 1
2 1285 . 19 1 1 A 107 107 ILE H H 102 8.350 8.484 -0.134 1
2 1286 . 19 1 1 A 107 107 ILE CA C 102 60.940 60.517 0.423 1
2 1287 . 19 1 1 A 107 107 ILE HA H 102 4.039 4.667 -0.628 1
2 1288 . 19 1 1 A 107 107 ILE CB C 102 38.204 39.009 -0.805 1
2 1301 . 19 1 1 A 107 107 ILE C C 102 175.990 176.531 -0.541 1
2 1302 . 19 1 1 A 108 108 GLU N N 103 124.836 124.268 0.568 1
2 1303 . 19 1 1 A 108 108 GLU H H 103 8.578 7.908 0.670 1
2 1304 . 19 1 1 A 108 108 GLU CA C 103 55.883 59.922 -4.039 1
2 1305 . 19 1 1 A 108 108 GLU HA H 103 4.280 3.885 0.395 1
2 1306 . 19 1 1 A 108 108 GLU CB C 103 29.902 29.526 0.376 1
2 1312 . 19 1 1 A 108 108 GLU C C 103 175.670 176.232 -0.562 1
2 1313 . 19 1 1 A 109 109 GLU N N 104 122.847 119.393 3.454 1
2 1314 . 19 1 1 A 109 109 GLU H H 104 8.459 8.182 0.277 1
2 1315 . 19 1 1 A 109 109 GLU CA C 104 55.902 57.244 -1.342 1
2 1316 . 19 1 1 A 109 109 GLU HA H 104 4.267 3.944 0.323 1
2 1317 . 19 1 1 A 109 109 GLU CB C 104 29.985 28.126 1.859 1
2 1322 . 19 1 1 A 109 109 GLU C C 104 174.661 175.310 -0.649 1
2 3 . 20 1 1 A 2 2 SER N N -4 115.528 115.742 -0.214 1
2 4 . 20 1 1 A 2 2 SER H H -4 8.751 7.822 0.929 1
2 5 . 20 1 1 A 2 2 SER CA C -4 57.687 59.306 -1.619 1
2 6 . 20 1 1 A 2 2 SER HA H -4 4.451 4.496 -0.045 1
2 7 . 20 1 1 A 2 2 SER CB C -4 63.389 64.465 -1.076 1
2 8 . 20 1 1 A 2 2 SER C C -4 173.913 174.214 -0.301 1
2 9 . 20 1 1 A 3 3 HIS N N -3 120.998 118.199 2.799 1
2 10 . 20 1 1 A 3 3 HIS H H -3 8.769 7.882 0.887 1
2 11 . 20 1 1 A 3 3 HIS CA C -3 55.010 56.778 -1.768 1
2 12 . 20 1 1 A 3 3 HIS HA H -3 4.707 4.255 0.452 1
2 13 . 20 1 1 A 3 3 HIS CB C -3 28.916 26.659 2.257 1
2 16 . 20 1 1 A 3 3 HIS C C -3 174.207 174.919 -0.712 1
2 17 . 20 1 1 A 4 4 MET N N -2 122.227 116.315 5.912 1
2 18 . 20 1 1 A 4 4 MET H H -2 8.518 8.370 0.148 1
2 19 . 20 1 1 A 4 4 MET CA C -2 55.014 54.182 0.832 1
2 20 . 20 1 1 A 4 4 MET HA H -2 4.418 4.759 -0.341 1
2 21 . 20 1 1 A 4 4 MET CB C -2 32.678 33.664 -0.986 1
2 31 . 20 1 1 A 4 4 MET C C -2 175.481 175.412 0.069 1
2 49 . 20 1 1 A 7 7 ALA N N 2 124.549 122.881 1.668 1
2 50 . 20 1 1 A 7 7 ALA H H 2 8.453 8.252 0.201 1
2 51 . 20 1 1 A 7 7 ALA CA C 2 53.221 54.863 -1.642 1
2 52 . 20 1 1 A 7 7 ALA HA H 2 4.194 4.015 0.179 1
2 56 . 20 1 1 A 7 7 ALA CB C 2 18.431 18.077 0.354 1
2 57 . 20 1 1 A 7 7 ALA C C 2 178.162 179.177 -1.015 1
2 58 . 20 1 1 A 8 8 ASP N N 3 118.618 118.541 0.077 1
2 59 . 20 1 1 A 8 8 ASP H H 3 8.064 7.910 0.154 1
2 60 . 20 1 1 A 8 8 ASP CA C 3 54.124 56.927 -2.803 1
2 61 . 20 1 1 A 8 8 ASP HA H 3 4.539 4.307 0.232 1
2 62 . 20 1 1 A 8 8 ASP CB C 3 40.341 41.069 -0.728 1
2 65 . 20 1 1 A 8 8 ASP C C 3 176.694 178.143 -1.449 1
2 66 . 20 1 1 A 9 9 LEU N N 4 123.427 120.415 3.012 1
2 67 . 20 1 1 A 9 9 LEU H H 4 8.202 7.567 0.635 1
2 68 . 20 1 1 A 9 9 LEU CA C 4 57.495 57.921 -0.426 1
2 69 . 20 1 1 A 9 9 LEU HA H 4 4.086 4.034 0.052 1
2 70 . 20 1 1 A 9 9 LEU CB C 4 41.905 41.636 0.269 1
2 82 . 20 1 1 A 9 9 LEU C C 4 178.839 178.645 0.194 1
2 83 . 20 1 1 A 10 10 VAL N N 5 119.385 119.227 0.158 1
2 84 . 20 1 1 A 10 10 VAL H H 5 8.186 8.376 -0.190 1
2 85 . 20 1 1 A 10 10 VAL CA C 5 66.585 66.737 -0.152 1
2 86 . 20 1 1 A 10 10 VAL HA H 5 3.420 3.509 -0.089 1
2 87 . 20 1 1 A 10 10 VAL CB C 5 31.177 31.513 -0.336 1
2 97 . 20 1 1 A 10 10 VAL C C 5 177.439 177.764 -0.325 1
2 98 . 20 1 1 A 11 11 SER N N 6 115.027 115.708 -0.681 1
2 99 . 20 1 1 A 11 11 SER H H 6 8.252 8.068 0.184 1
2 100 . 20 1 1 A 11 11 SER CA C 6 61.152 62.060 -0.908 1
2 101 . 20 1 1 A 11 11 SER HA H 6 4.055 4.113 -0.058 1
2 102 . 20 1 1 A 11 11 SER CB C 6 62.161 62.734 -0.573 1
2 105 . 20 1 1 A 11 11 SER C C 6 176.036 176.491 -0.455 1
2 106 . 20 1 1 A 12 12 SER N N 7 115.144 117.269 -2.125 1
2 107 . 20 1 1 A 12 12 SER H H 7 8.053 8.029 0.024 1
2 108 . 20 1 1 A 12 12 SER CA C 7 60.168 61.653 -1.485 1
2 109 . 20 1 1 A 12 12 SER HA H 7 4.284 4.038 0.246 1
2 110 . 20 1 1 A 12 12 SER CB C 7 62.706 63.070 -0.364 1
2 113 . 20 1 1 A 12 12 SER C C 7 176.540 176.338 0.202 1
2 114 . 20 1 1 A 13 13 CYS N N 8 118.211 119.167 -0.956 1
2 115 . 20 1 1 A 13 13 CYS H H 8 7.919 8.683 -0.764 1
2 116 . 20 1 1 A 13 13 CYS CA C 8 63.651 63.955 -0.304 1
2 117 . 20 1 1 A 13 13 CYS HA H 8 4.026 4.082 -0.056 1
2 118 . 20 1 1 A 13 13 CYS CB C 8 26.641 26.933 -0.292 1
2 121 . 20 1 1 A 13 13 CYS C C 8 175.645 177.038 -1.393 1
2 122 . 20 1 1 A 14 14 LYS N N 9 120.074 121.272 -1.198 1
2 123 . 20 1 1 A 14 14 LYS H H 9 8.632 8.073 0.559 1
2 124 . 20 1 1 A 14 14 LYS CA C 9 60.441 59.587 0.854 1
2 125 . 20 1 1 A 14 14 LYS HA H 9 3.672 3.980 -0.308 1
2 126 . 20 1 1 A 14 14 LYS CB C 9 31.685 32.007 -0.322 1
2 138 . 20 1 1 A 14 14 LYS C C 9 177.615 177.844 -0.229 1
2 139 . 20 1 1 A 15 15 ASP N N 10 117.613 119.449 -1.836 1
2 140 . 20 1 1 A 15 15 ASP H H 10 7.732 8.113 -0.381 1
2 141 . 20 1 1 A 15 15 ASP CA C 10 56.175 57.372 -1.197 1
2 142 . 20 1 1 A 15 15 ASP HA H 10 4.307 4.192 0.115 1
2 143 . 20 1 1 A 15 15 ASP CB C 10 40.056 41.558 -1.502 1
2 146 . 20 1 1 A 15 15 ASP C C 10 177.650 178.525 -0.875 1
2 147 . 20 1 1 A 16 16 LYS N N 11 117.878 119.168 -1.290 1
2 148 . 20 1 1 A 16 16 LYS H H 11 7.254 7.758 -0.504 1
2 149 . 20 1 1 A 16 16 LYS CA C 11 58.962 58.856 0.106 1
2 150 . 20 1 1 A 16 16 LYS HA H 11 3.645 3.394 0.251 1
2 151 . 20 1 1 A 16 16 LYS CB C 11 32.951 31.860 1.091 1
2 160 . 20 1 1 A 16 16 LYS C C 11 177.263 177.860 -0.597 1
2 161 . 20 1 1 A 17 17 LEU N N 12 115.652 121.782 -6.130 1
2 162 . 20 1 1 A 17 17 LEU H H 12 8.138 8.366 -0.228 1
2 163 . 20 1 1 A 17 17 LEU CA C 12 56.726 58.172 -1.446 1
2 164 . 20 1 1 A 17 17 LEU HA H 12 3.579 4.147 -0.568 1
2 165 . 20 1 1 A 17 17 LEU CB C 12 41.959 41.496 0.463 1
2 176 . 20 1 1 A 17 17 LEU C C 12 177.485 178.475 -0.990 1
2 177 . 20 1 1 A 18 18 ALA N N 13 116.044 120.820 -4.776 1
2 178 . 20 1 1 A 18 18 ALA H H 13 7.080 8.582 -1.502 1
2 179 . 20 1 1 A 18 18 ALA CA C 13 53.389 54.809 -1.420 1
2 180 . 20 1 1 A 18 18 ALA HA H 13 3.963 4.069 -0.106 1
2 184 . 20 1 1 A 18 18 ALA CB C 13 18.161 18.427 -0.266 1
2 185 . 20 1 1 A 18 18 ALA C C 13 178.207 179.309 -1.102 1
2 186 . 20 1 1 A 19 19 TYR N N 14 115.556 119.546 -3.990 1
2 187 . 20 1 1 A 19 19 TYR H H 14 7.675 7.610 0.065 1
2 188 . 20 1 1 A 19 19 TYR CA C 14 58.647 59.892 -1.245 1
2 189 . 20 1 1 A 19 19 TYR HA H 14 4.304 4.184 0.120 1
2 190 . 20 1 1 A 19 19 TYR CB C 14 38.609 38.955 -0.346 1
2 199 . 20 1 1 A 19 19 TYR C C 14 175.911 175.879 0.032 1
2 200 . 20 1 1 A 20 20 PHE N N 15 118.275 119.468 -1.193 1
2 201 . 20 1 1 A 20 20 PHE H H 15 7.406 7.675 -0.269 1
2 202 . 20 1 1 A 20 20 PHE CA C 15 56.615 57.009 -0.394 1
2 203 . 20 1 1 A 20 20 PHE HA H 15 4.649 4.727 -0.078 1
2 204 . 20 1 1 A 20 20 PHE CB C 15 38.750 40.253 -1.503 1
2 215 . 20 1 1 A 20 20 PHE C C 15 176.160 176.047 0.113 1
2 216 . 20 1 1 A 21 21 ARG N N 16 119.140 123.829 -4.689 1
2 217 . 20 1 1 A 21 21 ARG H H 16 8.714 8.379 0.335 1
2 218 . 20 1 1 A 21 21 ARG CA C 16 54.349 56.096 -1.747 1
2 219 . 20 1 1 A 21 21 ARG HA H 16 4.751 4.280 0.471 1
2 220 . 20 1 1 A 21 21 ARG CB C 16 30.097 31.812 -1.715 1
2 236 . 20 1 1 A 21 21 ARG C C 16 177.095 177.629 -0.534 1
2 237 . 20 1 1 A 22 22 ILE N N 17 120.734 124.938 -4.204 1
2 238 . 20 1 1 A 22 22 ILE H H 17 8.708 8.834 -0.126 1
2 239 . 20 1 1 A 22 22 ILE CA C 17 65.145 64.842 0.303 1
2 240 . 20 1 1 A 22 22 ILE HA H 17 3.720 3.724 -0.004 1
2 241 . 20 1 1 A 22 22 ILE CB C 17 36.857 37.717 -0.860 1
2 254 . 20 1 1 A 22 22 ILE C C 17 176.745 178.116 -1.371 1
2 255 . 20 1 1 A 23 23 LYS N N 18 118.184 121.178 -2.994 1
2 256 . 20 1 1 A 23 23 LYS H H 18 8.267 8.193 0.074 1
2 257 . 20 1 1 A 23 23 LYS CA C 18 59.829 60.079 -0.250 1
2 258 . 20 1 1 A 23 23 LYS HA H 18 3.897 3.892 0.005 1
2 259 . 20 1 1 A 23 23 LYS CB C 18 32.268 32.176 0.092 1
2 271 . 20 1 1 A 23 23 LYS C C 18 178.159 178.873 -0.714 1
2 272 . 20 1 1 A 24 24 GLU N N 19 117.654 119.319 -1.665 1
2 273 . 20 1 1 A 24 24 GLU H H 19 7.198 8.012 -0.814 1
2 274 . 20 1 1 A 24 24 GLU CA C 19 60.612 59.234 1.378 1
2 275 . 20 1 1 A 24 24 GLU HA H 19 4.030 4.044 -0.014 1
2 276 . 20 1 1 A 24 24 GLU CB C 19 28.859 29.512 -0.653 1
2 282 . 20 1 1 A 24 24 GLU C C 19 178.521 179.291 -0.770 1
2 283 . 20 1 1 A 25 25 LEU N N 20 119.236 120.211 -0.975 1
2 284 . 20 1 1 A 25 25 LEU H H 20 7.980 8.276 -0.296 1
2 285 . 20 1 1 A 25 25 LEU CA C 20 57.676 57.959 -0.283 1
2 286 . 20 1 1 A 25 25 LEU HA H 20 3.904 4.018 -0.114 1
2 287 . 20 1 1 A 25 25 LEU CB C 20 42.218 40.591 1.627 1
2 294 . 20 1 1 A 25 25 LEU C C 20 177.990 179.431 -1.441 1
2 295 . 20 1 1 A 26 26 LYS N N 21 117.457 121.471 -4.014 1
2 296 . 20 1 1 A 26 26 LYS H H 21 8.770 8.405 0.365 1
2 297 . 20 1 1 A 26 26 LYS CA C 21 60.660 59.779 0.881 1
2 298 . 20 1 1 A 26 26 LYS HA H 21 3.787 3.956 -0.169 1
2 299 . 20 1 1 A 26 26 LYS CB C 21 31.876 32.075 -0.199 1
2 300 . 20 1 1 A 26 26 LYS C C 21 177.625 178.976 -1.351 1
2 301 . 20 1 1 A 27 27 ASP N N 22 119.023 119.609 -0.586 1
2 302 . 20 1 1 A 27 27 ASP H H 22 7.671 8.134 -0.463 1
2 303 . 20 1 1 A 27 27 ASP CA C 22 56.974 57.119 -0.145 1
2 304 . 20 1 1 A 27 27 ASP HA H 22 4.392 4.489 -0.097 1
2 305 . 20 1 1 A 27 27 ASP CB C 22 40.250 40.658 -0.408 1
2 308 . 20 1 1 A 27 27 ASP C C 22 180.796 179.019 1.777 1
2 309 . 20 1 1 A 28 28 ILE N N 23 119.318 120.351 -1.033 1
2 310 . 20 1 1 A 28 28 ILE H H 23 8.039 7.781 0.258 1
2 311 . 20 1 1 A 28 28 ILE CA C 23 65.365 65.524 -0.159 1
2 312 . 20 1 1 A 28 28 ILE HA H 23 3.587 3.653 -0.066 1
2 313 . 20 1 1 A 28 28 ILE CB C 23 37.408 38.221 -0.813 1
2 326 . 20 1 1 A 28 28 ILE C C 23 177.265 178.220 -0.955 1
2 327 . 20 1 1 A 29 29 LEU N N 24 120.356 121.422 -1.066 1
2 328 . 20 1 1 A 29 29 LEU H H 24 8.220 8.373 -0.153 1
2 329 . 20 1 1 A 29 29 LEU CA C 24 58.562 58.241 0.321 1
2 330 . 20 1 1 A 29 29 LEU HA H 24 3.806 4.011 -0.205 1
2 331 . 20 1 1 A 29 29 LEU CB C 24 39.477 41.526 -2.049 1
2 339 . 20 1 1 A 29 29 LEU C C 24 178.572 178.333 0.239 1
2 340 . 20 1 1 A 30 30 ASN N N 25 117.446 117.304 0.142 1
2 341 . 20 1 1 A 30 30 ASN H H 25 8.688 8.416 0.272 1
2 342 . 20 1 1 A 30 30 ASN CA C 25 56.092 57.063 -0.971 1
2 343 . 20 1 1 A 30 30 ASN HA H 25 4.493 4.380 0.113 1
2 344 . 20 1 1 A 30 30 ASN CB C 25 38.809 38.870 -0.061 1
2 351 . 20 1 1 A 30 30 ASN C C 25 178.884 177.609 1.275 1
2 352 . 20 1 1 A 31 31 GLN N N 26 119.946 117.628 2.318 1
2 353 . 20 1 1 A 31 31 GLN H H 26 8.184 7.734 0.450 1
2 354 . 20 1 1 A 31 31 GLN CA C 26 58.786 57.923 0.863 1
2 355 . 20 1 1 A 31 31 GLN HA H 26 4.041 4.189 -0.148 1
2 356 . 20 1 1 A 31 31 GLN CB C 26 29.089 28.216 0.873 1
2 366 . 20 1 1 A 31 31 GLN C C 26 177.656 177.303 0.353 1
2 367 . 20 1 1 A 32 32 LEU N N 27 116.979 118.107 -1.128 1
2 368 . 20 1 1 A 32 32 LEU H H 27 7.893 7.550 0.343 1
2 369 . 20 1 1 A 32 32 LEU CA C 27 54.545 55.089 -0.544 1
2 370 . 20 1 1 A 32 32 LEU HA H 27 4.227 4.291 -0.064 1
2 371 . 20 1 1 A 32 32 LEU CB C 27 42.063 42.408 -0.345 1
2 382 . 20 1 1 A 32 32 LEU C C 27 175.733 176.980 -1.247 1
2 383 . 20 1 1 A 33 33 GLY N N 28 108.299 105.720 2.579 1
2 384 . 20 1 1 A 33 33 GLY H H 28 7.834 7.837 -0.003 1
2 385 . 20 1 1 A 33 33 GLY CA C 28 45.707 44.939 0.768 1
2 386 . 20 1 1 A 33 33 GLY HA2 H 28 3.952 4.004 -0.052 1
2 387 . 20 1 1 A 33 33 GLY HA3 H 28 3.952 4.005 -0.053 1
2 388 . 20 1 1 A 33 33 GLY C C 28 174.317 174.892 -0.575 1
2 389 . 20 1 1 A 34 34 LEU N N 29 120.833 120.132 0.701 1
2 390 . 20 1 1 A 34 34 LEU H H 29 7.986 8.525 -0.539 1
2 391 . 20 1 1 A 34 34 LEU CA C 29 51.558 55.477 -3.919 1
2 392 . 20 1 1 A 34 34 LEU HA H 29 4.744 4.324 0.420 1
2 393 . 20 1 1 A 34 34 LEU CB C 29 43.525 39.635 3.890 1
2 405 . 20 1 1 A 35 35 PRO CA C 30 62.707 62.341 0.366 1
2 406 . 20 1 1 A 35 35 PRO HA H 30 4.351 4.514 -0.163 1
2 407 . 20 1 1 A 35 35 PRO CB C 30 31.919 32.794 -0.875 1
2 415 . 20 1 1 A 35 35 PRO C C 30 177.488 176.934 0.554 1
2 416 . 20 1 1 A 36 36 LYS N N 31 117.590 120.167 -2.577 1
2 417 . 20 1 1 A 36 36 LYS H H 31 8.380 8.990 -0.610 1
2 418 . 20 1 1 A 36 36 LYS CA C 31 55.660 59.006 -3.346 1
2 419 . 20 1 1 A 36 36 LYS HA H 31 4.286 3.988 0.298 1
2 420 . 20 1 1 A 36 36 LYS CB C 31 33.239 32.754 0.485 1
2 430 . 20 1 1 A 36 36 LYS C C 31 174.384 176.531 -2.147 1
2 431 . 20 1 1 A 37 37 GLN N N 32 118.260 113.337 4.923 1
2 432 . 20 1 1 A 37 37 GLN H H 32 7.698 7.633 0.065 1
2 433 . 20 1 1 A 37 37 GLN CA C 32 55.550 54.650 0.900 1
2 434 . 20 1 1 A 37 37 GLN HA H 32 4.376 4.626 -0.250 1
2 435 . 20 1 1 A 37 37 GLN CB C 32 28.221 30.293 -2.072 1
2 445 . 20 1 1 A 37 37 GLN C C 32 175.222 174.040 1.182 1
2 446 . 20 1 1 A 38 38 GLY N N 33 109.855 106.539 3.316 1
2 447 . 20 1 1 A 38 38 GLY H H 33 8.449 8.433 0.016 1
2 448 . 20 1 1 A 38 38 GLY CA C 33 43.235 45.598 -2.363 1
2 449 . 20 1 1 A 38 38 GLY HA2 H 33 4.566 4.156 0.410 1
2 450 . 20 1 1 A 38 38 GLY HA3 H 33 3.789 4.156 -0.367 1
2 451 . 20 1 1 A 38 38 GLY C C 33 173.603 172.805 0.798 1
2 452 . 20 1 1 A 39 39 LYS N N 34 117.627 124.299 -6.672 1
2 453 . 20 1 1 A 39 39 LYS H H 34 8.649 8.439 0.210 1
2 454 . 20 1 1 A 39 39 LYS CA C 34 54.563 55.170 -0.607 1
2 455 . 20 1 1 A 39 39 LYS HA H 34 4.394 4.538 -0.144 1
2 456 . 20 1 1 A 39 39 LYS CB C 34 32.892 32.989 -0.097 1
2 468 . 20 1 1 A 39 39 LYS C C 34 176.803 177.554 -0.751 1
2 469 . 20 1 1 A 40 40 LYS N N 35 121.705 119.148 2.557 1
2 470 . 20 1 1 A 40 40 LYS H H 35 8.920 8.692 0.228 1
2 471 . 20 1 1 A 40 40 LYS CA C 35 61.559 60.424 1.135 1
2 472 . 20 1 1 A 40 40 LYS HA H 35 3.597 3.900 -0.303 1
2 473 . 20 1 1 A 40 40 LYS CB C 35 31.953 32.195 -0.242 1
2 485 . 20 1 1 A 40 40 LYS C C 35 177.362 178.287 -0.925 1
2 486 . 20 1 1 A 41 41 GLN N N 36 114.637 118.985 -4.348 1
2 487 . 20 1 1 A 41 41 GLN H H 36 9.017 7.926 1.091 1
2 488 . 20 1 1 A 41 41 GLN CA C 36 57.638 58.684 -1.046 1
2 489 . 20 1 1 A 41 41 GLN HA H 36 3.719 3.996 -0.277 1
2 490 . 20 1 1 A 41 41 GLN CB C 36 27.865 28.326 -0.461 1
2 500 . 20 1 1 A 41 41 GLN C C 36 176.975 178.120 -1.145 1
2 501 . 20 1 1 A 42 42 ASP N N 37 115.984 120.288 -4.304 1
2 502 . 20 1 1 A 42 42 ASP H H 37 7.049 8.170 -1.121 1
2 503 . 20 1 1 A 42 42 ASP CA C 37 56.424 57.417 -0.993 1
2 504 . 20 1 1 A 42 42 ASP HA H 37 4.303 4.324 -0.021 1
2 505 . 20 1 1 A 42 42 ASP CB C 37 39.955 40.401 -0.446 1
2 508 . 20 1 1 A 42 42 ASP C C 37 178.454 178.895 -0.441 1
2 509 . 20 1 1 A 43 43 LEU N N 38 119.074 120.676 -1.602 1
2 510 . 20 1 1 A 43 43 LEU H H 38 7.725 8.456 -0.731 1
2 511 . 20 1 1 A 43 43 LEU CA C 38 57.716 58.011 -0.295 1
2 512 . 20 1 1 A 43 43 LEU HA H 38 3.794 3.968 -0.174 1
2 513 . 20 1 1 A 43 43 LEU CB C 38 40.211 42.325 -2.114 1
2 526 . 20 1 1 A 43 43 LEU C C 38 177.872 179.116 -1.244 1
2 527 . 20 1 1 A 44 44 ILE N N 39 118.343 118.633 -0.290 1
2 528 . 20 1 1 A 44 44 ILE H H 39 7.867 8.043 -0.176 1
2 529 . 20 1 1 A 44 44 ILE CA C 39 66.211 65.779 0.432 1
2 530 . 20 1 1 A 44 44 ILE HA H 39 3.319 3.498 -0.179 1
2 531 . 20 1 1 A 44 44 ILE CB C 39 37.985 37.750 0.235 1
2 541 . 20 1 1 A 44 44 ILE C C 39 177.711 177.672 0.039 1
2 542 . 20 1 1 A 45 45 ASP N N 40 118.535 120.217 -1.682 1
2 543 . 20 1 1 A 45 45 ASP H H 40 8.503 8.692 -0.189 1
2 544 . 20 1 1 A 45 45 ASP CA C 40 56.817 57.330 -0.513 1
2 545 . 20 1 1 A 45 45 ASP HA H 40 4.256 4.469 -0.213 1
2 546 . 20 1 1 A 45 45 ASP CB C 40 39.815 40.594 -0.779 1
2 549 . 20 1 1 A 45 45 ASP C C 40 178.464 178.995 -0.531 1
2 550 . 20 1 1 A 46 46 ARG N N 41 120.910 120.681 0.229 1
2 551 . 20 1 1 A 46 46 ARG H H 41 7.717 7.757 -0.040 1
2 552 . 20 1 1 A 46 46 ARG CA C 41 59.054 59.541 -0.487 1
2 553 . 20 1 1 A 46 46 ARG HA H 41 3.993 4.089 -0.096 1
2 554 . 20 1 1 A 46 46 ARG CB C 41 29.778 30.230 -0.452 1
2 563 . 20 1 1 A 46 46 ARG C C 41 177.565 178.427 -0.862 1
2 564 . 20 1 1 A 47 47 VAL N N 42 117.438 119.611 -2.173 1
2 565 . 20 1 1 A 47 47 VAL H H 42 7.445 8.074 -0.629 1
2 566 . 20 1 1 A 47 47 VAL CA C 42 66.095 66.429 -0.334 1
2 567 . 20 1 1 A 47 47 VAL HA H 42 3.446 3.679 -0.233 1
2 568 . 20 1 1 A 47 47 VAL CB C 42 31.113 31.783 -0.670 1
2 578 . 20 1 1 A 47 47 VAL C C 42 177.710 178.184 -0.474 1
2 579 . 20 1 1 A 48 48 LEU N N 43 117.085 117.779 -0.694 1
2 580 . 20 1 1 A 48 48 LEU H H 43 8.466 8.048 0.418 1
2 581 . 20 1 1 A 48 48 LEU CA C 43 57.406 57.479 -0.073 1
2 582 . 20 1 1 A 48 48 LEU HA H 43 3.851 4.109 -0.258 1
2 583 . 20 1 1 A 48 48 LEU CB C 43 40.779 40.743 0.036 1
2 596 . 20 1 1 A 48 48 LEU C C 43 179.581 179.570 0.011 1
2 597 . 20 1 1 A 49 49 ALA N N 44 120.480 122.561 -2.081 1
2 598 . 20 1 1 A 49 49 ALA H H 44 7.952 8.078 -0.126 1
2 599 . 20 1 1 A 49 49 ALA CA C 44 53.998 55.368 -1.370 1
2 600 . 20 1 1 A 49 49 ALA HA H 44 4.104 4.079 0.025 1
2 604 . 20 1 1 A 49 49 ALA CB C 44 17.685 18.590 -0.905 1
2 605 . 20 1 1 A 49 49 ALA C C 44 178.926 179.931 -1.005 1
2 606 . 20 1 1 A 50 50 LEU N N 45 115.306 118.080 -2.774 1
2 607 . 20 1 1 A 50 50 LEU H H 45 7.428 8.104 -0.676 1
2 608 . 20 1 1 A 50 50 LEU CA C 45 55.650 57.683 -2.033 1
2 609 . 20 1 1 A 50 50 LEU HA H 45 4.206 4.033 0.173 1
2 610 . 20 1 1 A 50 50 LEU CB C 45 41.937 41.690 0.247 1
2 623 . 20 1 1 A 50 50 LEU C C 45 177.840 179.098 -1.258 1
2 624 . 20 1 1 A 51 51 LEU N N 46 115.880 119.509 -3.629 1
2 625 . 20 1 1 A 51 51 LEU H H 46 7.642 8.090 -0.448 1
2 626 . 20 1 1 A 51 51 LEU CA C 46 54.861 57.801 -2.940 1
2 627 . 20 1 1 A 51 51 LEU HA H 46 4.260 4.049 0.211 1
2 628 . 20 1 1 A 51 51 LEU CB C 46 42.228 41.336 0.892 1
2 638 . 20 1 1 A 51 51 LEU C C 46 176.015 178.405 -2.390 1
2 639 . 20 1 1 A 52 52 THR N N 47 109.201 114.619 -5.418 1
2 640 . 20 1 1 A 52 52 THR H H 47 7.515 7.533 -0.018 1
2 641 . 20 1 1 A 52 52 THR CA C 47 60.972 64.653 -3.681 1
2 642 . 20 1 1 A 52 52 THR HA H 47 4.345 4.291 0.054 1
2 643 . 20 1 1 A 52 52 THR CB C 47 69.620 69.298 0.322 1
2 649 . 20 1 1 A 52 52 THR C C 47 173.733 175.507 -1.774 1
2 650 . 20 1 1 A 53 53 ASP N N 48 122.188 120.629 1.559 1
2 651 . 20 1 1 A 53 53 ASP H H 48 8.280 8.511 -0.231 1
2 652 . 20 1 1 A 53 53 ASP CA C 48 54.205 57.291 -3.086 1
2 653 . 20 1 1 A 53 53 ASP HA H 48 4.686 4.399 0.287 1
2 654 . 20 1 1 A 53 53 ASP CB C 48 40.766 40.439 0.327 1
2 658 . 20 1 1 A 53 53 ASP C C 48 176.000 176.712 -0.712 1
2 659 . 20 1 1 A 54 54 GLU N N 49 121.966 117.167 4.799 1
2 660 . 20 1 1 A 54 54 GLU H H 49 8.589 7.375 1.214 1
2 661 . 20 1 1 A 54 54 GLU CA C 49 56.448 55.591 0.857 1
2 662 . 20 1 1 A 54 54 GLU HA H 49 4.234 4.733 -0.499 1
2 663 . 20 1 1 A 54 54 GLU CB C 49 29.642 30.578 -0.936 1
2 669 . 20 1 1 A 54 54 GLU C C 49 176.522 176.924 -0.402 1
2 670 . 20 1 1 A 55 55 GLN N N 50 120.727 119.724 1.003 1
2 671 . 20 1 1 A 55 55 GLN H H 50 8.642 8.596 0.046 1
2 672 . 20 1 1 A 55 55 GLN CA C 50 56.251 57.806 -1.555 1
2 673 . 20 1 1 A 55 55 GLN HA H 50 4.217 4.166 0.051 1
2 674 . 20 1 1 A 55 55 GLN CB C 50 28.555 27.807 0.748 1
2 684 . 20 1 1 A 55 55 GLN C C 50 176.519 178.052 -1.533 1
2 685 . 20 1 1 A 56 56 GLY N N 51 109.357 109.428 -0.071 1
2 686 . 20 1 1 A 56 56 GLY H H 51 8.519 8.406 0.113 1
2 687 . 20 1 1 A 56 56 GLY CA C 51 45.276 46.964 -1.688 1
2 688 . 20 1 1 A 56 56 GLY HA2 H 51 3.950 3.968 -0.018 1
2 689 . 20 1 1 A 56 56 GLY HA3 H 51 3.809 3.969 -0.160 1
2 690 . 20 1 1 A 56 56 GLY C C 51 174.146 175.982 -1.836 1
2 691 . 20 1 1 A 57 57 GLN N N 52 119.207 120.520 -1.313 1
2 692 . 20 1 1 A 57 57 GLN H H 52 8.263 8.167 0.096 1
2 693 . 20 1 1 A 57 57 GLN CA C 52 55.572 58.498 -2.926 1
2 694 . 20 1 1 A 57 57 GLN HA H 52 4.203 4.255 -0.052 1
2 695 . 20 1 1 A 57 57 GLN CB C 52 28.656 28.707 -0.051 1
2 705 . 20 1 1 A 57 57 GLN C C 52 175.872 178.781 -2.909 1
2 706 . 20 1 1 A 58 58 ARG N N 53 120.525 118.297 2.228 1
2 707 . 20 1 1 A 58 58 ARG H H 53 8.279 8.837 -0.558 1
2 708 . 20 1 1 A 58 58 ARG CA C 53 55.883 58.304 -2.421 1
2 709 . 20 1 1 A 58 58 ARG HA H 53 4.176 4.320 -0.144 1
2 710 . 20 1 1 A 58 58 ARG CB C 53 30.031 29.058 0.973 1
2 721 . 20 1 1 A 58 58 ARG C C 53 175.820 178.526 -2.706 1
2 722 . 20 1 1 A 59 59 HIS N N 54 118.905 120.134 -1.229 1
2 723 . 20 1 1 A 59 59 HIS H H 54 8.398 8.033 0.365 1
2 724 . 20 1 1 A 59 59 HIS CA C 54 54.908 58.639 -3.731 1
2 725 . 20 1 1 A 59 59 HIS HA H 54 4.548 4.516 0.032 1
2 726 . 20 1 1 A 59 59 HIS CB C 54 28.953 31.285 -2.332 1
2 729 . 20 1 1 A 59 59 HIS C C 54 174.136 175.137 -1.001 1
2 730 . 20 1 1 A 60 60 HIS N N 55 119.527 111.606 7.921 1
2 731 . 20 1 1 A 60 60 HIS H H 55 8.493 8.072 0.421 1
2 732 . 20 1 1 A 60 60 HIS CA C 55 55.274 53.986 1.288 1
2 733 . 20 1 1 A 60 60 HIS HA H 55 4.552 4.336 0.216 1
2 734 . 20 1 1 A 60 60 HIS CB C 55 28.913 31.331 -2.418 1
2 737 . 20 1 1 A 60 60 HIS C C 55 174.595 173.578 1.017 1
2 738 . 20 1 1 A 61 61 GLY N N 56 110.215 107.705 2.510 1
2 739 . 20 1 1 A 61 61 GLY H H 56 8.604 7.388 1.216 1
2 740 . 20 1 1 A 61 61 GLY CA C 56 44.977 45.316 -0.339 1
2 741 . 20 1 1 A 61 61 GLY HA2 H 56 3.956 3.467 0.489 1
2 742 . 20 1 1 A 61 61 GLY HA3 H 56 3.831 3.595 0.236 1
2 743 . 20 1 1 A 61 61 GLY C C 56 173.752 174.401 -0.649 1
2 744 . 20 1 1 A 62 62 TRP N N 57 120.700 117.201 3.499 1
2 745 . 20 1 1 A 62 62 TRP H H 57 8.175 7.221 0.954 1
2 746 . 20 1 1 A 62 62 TRP CA C 57 56.929 58.136 -1.207 1
2 747 . 20 1 1 A 62 62 TRP HA H 57 4.663 4.692 -0.029 1
2 748 . 20 1 1 A 62 62 TRP CB C 57 29.142 31.461 -2.319 1
2 763 . 20 1 1 A 62 62 TRP C C 57 176.442 177.370 -0.928 1
2 764 . 20 1 1 A 63 63 GLY N N 58 110.195 108.405 1.790 1
2 765 . 20 1 1 A 63 63 GLY H H 58 8.452 8.236 0.216 1
2 766 . 20 1 1 A 63 63 GLY CA C 58 45.052 45.420 -0.368 1
2 767 . 20 1 1 A 63 63 GLY HA2 H 58 3.925 3.997 -0.072 1
2 768 . 20 1 1 A 63 63 GLY HA3 H 58 3.833 4.008 -0.175 1
2 769 . 20 1 1 A 63 63 GLY C C 58 173.738 174.709 -0.971 1
2 770 . 20 1 1 A 64 64 ARG N N 59 120.374 119.716 0.658 1
2 771 . 20 1 1 A 64 64 ARG H H 59 8.136 8.559 -0.423 1
2 772 . 20 1 1 A 64 64 ARG CA C 59 55.799 57.342 -1.543 1
2 773 . 20 1 1 A 64 64 ARG HA H 59 4.287 4.041 0.246 1
2 774 . 20 1 1 A 64 64 ARG CB C 59 30.371 29.387 0.984 1
2 785 . 20 1 1 A 64 64 ARG C C 59 176.287 175.838 0.449 1
2 786 . 20 1 1 A 65 65 LYS N N 60 121.593 118.577 3.016 1
2 787 . 20 1 1 A 65 65 LYS H H 60 8.483 7.761 0.722 1
2 788 . 20 1 1 A 65 65 LYS CA C 60 56.353 57.137 -0.784 1
2 789 . 20 1 1 A 65 65 LYS HA H 60 4.218 4.480 -0.262 1
2 790 . 20 1 1 A 65 65 LYS CB C 60 32.260 34.806 -2.546 1
2 796 . 20 1 1 A 65 65 LYS C C 60 176.102 177.242 -1.140 1
2 797 . 20 1 1 A 66 66 ASN N N 61 118.654 117.924 0.730 1
2 798 . 20 1 1 A 66 66 ASN H H 61 8.413 8.614 -0.201 1
2 799 . 20 1 1 A 66 66 ASN CA C 61 53.055 55.887 -2.832 1
2 800 . 20 1 1 A 66 66 ASN HA H 61 4.639 4.480 0.159 1
2 801 . 20 1 1 A 66 66 ASN CB C 61 38.385 37.955 0.430 1
2 808 . 20 1 1 A 66 66 ASN C C 61 174.531 175.669 -1.138 1
2 809 . 20 1 1 A 67 67 SER N N 62 115.491 111.332 4.159 1
2 810 . 20 1 1 A 67 67 SER H H 62 8.288 8.126 0.162 1
2 811 . 20 1 1 A 67 67 SER CA C 62 57.980 59.190 -1.210 1
2 812 . 20 1 1 A 67 67 SER HA H 62 4.283 4.263 0.020 1
2 813 . 20 1 1 A 67 67 SER CB C 62 63.205 60.898 2.307 1
2 816 . 20 1 1 A 67 67 SER C C 62 173.864 173.961 -0.097 1
2 817 . 20 1 1 A 68 68 LEU N N 63 123.549 116.687 6.862 1
2 818 . 20 1 1 A 68 68 LEU H H 63 8.063 8.015 0.048 1
2 819 . 20 1 1 A 68 68 LEU CA C 63 54.098 54.046 0.052 1
2 820 . 20 1 1 A 68 68 LEU HA H 63 4.481 4.669 -0.188 1
2 821 . 20 1 1 A 68 68 LEU CB C 63 42.494 42.782 -0.288 1
2 834 . 20 1 1 A 68 68 LEU C C 63 176.532 176.178 0.354 1
2 835 . 20 1 1 A 69 69 THR N N 64 112.637 111.065 1.572 1
2 836 . 20 1 1 A 69 69 THR H H 64 7.797 7.526 0.271 1
2 837 . 20 1 1 A 69 69 THR CA C 64 59.915 59.417 0.498 1
2 838 . 20 1 1 A 69 69 THR HA H 64 4.490 4.782 -0.292 1
2 839 . 20 1 1 A 69 69 THR CB C 64 70.852 72.092 -1.240 1
2 845 . 20 1 1 A 69 69 THR C C 64 174.998 175.765 -0.767 1
2 846 . 20 1 1 A 70 70 LYS N N 65 120.128 119.156 0.972 1
2 847 . 20 1 1 A 70 70 LYS H H 65 9.059 9.084 -0.025 1
2 848 . 20 1 1 A 70 70 LYS CA C 65 59.535 59.021 0.514 1
2 849 . 20 1 1 A 70 70 LYS HA H 65 3.909 4.025 -0.116 1
2 850 . 20 1 1 A 70 70 LYS CB C 65 31.890 32.008 -0.118 1
2 858 . 20 1 1 A 70 70 LYS C C 65 177.536 178.554 -1.018 1
2 859 . 20 1 1 A 71 71 GLU N N 66 117.667 119.544 -1.877 1
2 860 . 20 1 1 A 71 71 GLU H H 66 8.699 8.202 0.497 1
2 861 . 20 1 1 A 71 71 GLU CA C 66 60.199 58.958 1.241 1
2 862 . 20 1 1 A 71 71 GLU HA H 66 3.806 3.975 -0.169 1
2 863 . 20 1 1 A 71 71 GLU CB C 66 27.986 29.486 -1.500 1
2 870 . 20 1 1 A 71 71 GLU C C 66 178.416 179.115 -0.699 1
2 871 . 20 1 1 A 72 72 ALA N N 67 123.924 122.786 1.138 1
2 872 . 20 1 1 A 72 72 ALA H H 67 7.992 7.591 0.401 1
2 873 . 20 1 1 A 72 72 ALA CA C 67 54.477 54.955 -0.478 1
2 874 . 20 1 1 A 72 72 ALA HA H 67 4.110 4.052 0.058 1
2 878 . 20 1 1 A 72 72 ALA CB C 67 18.301 18.407 -0.106 1
2 879 . 20 1 1 A 72 72 ALA C C 67 178.721 179.546 -0.825 1
2 880 . 20 1 1 A 73 73 VAL N N 68 119.434 117.855 1.579 1
2 881 . 20 1 1 A 73 73 VAL H H 68 8.044 8.027 0.017 1
2 882 . 20 1 1 A 73 73 VAL CA C 68 66.089 66.604 -0.515 1
2 883 . 20 1 1 A 73 73 VAL HA H 68 3.473 3.560 -0.087 1
2 884 . 20 1 1 A 73 73 VAL CB C 68 31.150 31.615 -0.465 1
2 894 . 20 1 1 A 73 73 VAL C C 68 177.001 178.631 -1.630 1
2 895 . 20 1 1 A 74 74 ALA N N 69 120.671 121.501 -0.830 1
2 896 . 20 1 1 A 74 74 ALA H H 69 8.407 7.971 0.436 1
2 897 . 20 1 1 A 74 74 ALA CA C 69 54.727 55.112 -0.385 1
2 898 . 20 1 1 A 74 74 ALA HA H 69 3.968 4.090 -0.122 1
2 902 . 20 1 1 A 74 74 ALA CB C 69 18.066 18.026 0.040 1
2 903 . 20 1 1 A 74 74 ALA C C 69 178.820 179.595 -0.775 1
2 904 . 20 1 1 A 75 75 LYS N N 70 118.624 118.052 0.572 1
2 905 . 20 1 1 A 75 75 LYS H H 70 7.930 7.955 -0.025 1
2 906 . 20 1 1 A 75 75 LYS CA C 70 58.807 60.034 -1.227 1
2 907 . 20 1 1 A 75 75 LYS HA H 70 4.086 3.975 0.111 1
2 908 . 20 1 1 A 75 75 LYS CB C 70 31.776 32.166 -0.390 1
2 918 . 20 1 1 A 75 75 LYS C C 70 177.424 178.687 -1.263 1
2 919 . 20 1 1 A 76 76 ILE N N 71 120.234 119.656 0.578 1
2 920 . 20 1 1 A 76 76 ILE H H 71 7.478 7.802 -0.324 1
2 921 . 20 1 1 A 76 76 ILE CA C 71 64.885 64.996 -0.111 1
2 922 . 20 1 1 A 76 76 ILE HA H 71 3.960 3.647 0.313 1
2 923 . 20 1 1 A 76 76 ILE CB C 71 37.810 37.947 -0.137 1
2 936 . 20 1 1 A 76 76 ILE C C 71 179.734 177.725 2.009 1
2 937 . 20 1 1 A 77 77 VAL N N 72 122.502 119.614 2.888 1
2 938 . 20 1 1 A 77 77 VAL H H 72 8.325 7.855 0.470 1
2 939 . 20 1 1 A 77 77 VAL CA C 72 67.450 67.021 0.429 1
2 940 . 20 1 1 A 77 77 VAL HA H 72 3.576 3.658 -0.082 1
2 941 . 20 1 1 A 77 77 VAL CB C 72 30.928 31.500 -0.572 1
2 951 . 20 1 1 A 77 77 VAL C C 72 176.906 177.124 -0.218 1
2 952 . 20 1 1 A 78 78 ASP N N 73 120.524 120.038 0.486 1
2 953 . 20 1 1 A 78 78 ASP H H 73 8.798 8.143 0.655 1
2 954 . 20 1 1 A 78 78 ASP CA C 73 58.206 57.640 0.566 1
2 955 . 20 1 1 A 78 78 ASP HA H 73 4.379 4.523 -0.144 1
2 956 . 20 1 1 A 78 78 ASP CB C 73 41.420 40.428 0.992 1
2 960 . 20 1 1 A 78 78 ASP C C 73 178.068 178.885 -0.817 1
2 961 . 20 1 1 A 79 79 ASP N N 74 119.761 119.678 0.083 1
2 962 . 20 1 1 A 79 79 ASP H H 74 9.318 8.046 1.272 1
2 963 . 20 1 1 A 79 79 ASP CA C 74 57.025 57.213 -0.188 1
2 964 . 20 1 1 A 79 79 ASP HA H 74 4.404 4.324 0.080 1
2 965 . 20 1 1 A 79 79 ASP CB C 74 40.007 40.395 -0.388 1
2 969 . 20 1 1 A 79 79 ASP C C 74 178.813 178.828 -0.015 1
2 970 . 20 1 1 A 80 80 THR N N 75 117.342 117.042 0.300 1
2 971 . 20 1 1 A 80 80 THR H H 75 8.084 7.887 0.197 1
2 972 . 20 1 1 A 80 80 THR CA C 75 66.977 66.331 0.646 1
2 973 . 20 1 1 A 80 80 THR HA H 75 3.826 3.624 0.202 1
2 974 . 20 1 1 A 80 80 THR CB C 75 67.725 67.756 -0.031 1
2 980 . 20 1 1 A 80 80 THR C C 75 175.367 175.871 -0.504 1
2 981 . 20 1 1 A 81 81 TYR N N 76 123.732 121.352 2.380 1
2 982 . 20 1 1 A 81 81 TYR H H 76 8.830 8.107 0.723 1
2 983 . 20 1 1 A 81 81 TYR CA C 76 61.713 61.940 -0.227 1
2 984 . 20 1 1 A 81 81 TYR HA H 76 4.265 4.310 -0.045 1
2 985 . 20 1 1 A 81 81 TYR CB C 76 38.849 38.898 -0.049 1
2 994 . 20 1 1 A 81 81 TYR C C 76 176.700 177.360 -0.660 1
2 995 . 20 1 1 A 82 82 ARG N N 77 118.508 120.246 -1.738 1
2 996 . 20 1 1 A 82 82 ARG H H 77 8.754 8.677 0.077 1
2 997 . 20 1 1 A 82 82 ARG CA C 77 58.792 58.804 -0.012 1
2 998 . 20 1 1 A 82 82 ARG HA H 77 3.890 4.043 -0.153 1
2 999 . 20 1 1 A 82 82 ARG CB C 77 29.498 30.323 -0.825 1
2 1015 . 20 1 1 A 82 82 ARG C C 77 178.748 178.428 0.320 1
2 1016 . 20 1 1 A 83 83 LYS N N 78 118.079 119.742 -1.663 1
2 1017 . 20 1 1 A 83 83 LYS H H 78 7.696 7.883 -0.187 1
2 1018 . 20 1 1 A 83 83 LYS CA C 78 58.671 58.936 -0.265 1
2 1019 . 20 1 1 A 83 83 LYS HA H 78 4.024 4.092 -0.068 1
2 1020 . 20 1 1 A 83 83 LYS CB C 78 32.057 31.688 0.369 1
2 1026 . 20 1 1 A 83 83 LYS C C 78 177.743 179.389 -1.646 1
2 1027 . 20 1 1 A 84 84 MET N N 79 118.241 118.346 -0.105 1
2 1028 . 20 1 1 A 84 84 MET H H 79 7.748 7.993 -0.245 1
2 1029 . 20 1 1 A 84 84 MET CA C 79 57.209 58.132 -0.923 1
2 1030 . 20 1 1 A 84 84 MET HA H 79 4.170 4.142 0.028 1
2 1031 . 20 1 1 A 84 84 MET CB C 79 32.320 33.553 -1.233 1
2 1041 . 20 1 1 A 84 84 MET C C 79 177.036 177.604 -0.568 1
2 1042 . 20 1 1 A 85 85 GLN N N 80 117.242 113.054 4.188 1
2 1043 . 20 1 1 A 85 85 GLN H H 80 7.843 7.405 0.438 1
2 1044 . 20 1 1 A 85 85 GLN CA C 80 56.523 54.667 1.856 1
2 1045 . 20 1 1 A 85 85 GLN HA H 80 3.993 4.435 -0.442 1
2 1046 . 20 1 1 A 85 85 GLN CB C 80 28.240 30.031 -1.791 1
2 1056 . 20 1 1 A 85 85 GLN C C 80 176.690 176.910 -0.220 1
2 1057 . 20 1 1 A 86 86 ILE N N 81 119.178 115.202 3.976 1
2 1058 . 20 1 1 A 86 86 ILE H H 81 7.715 7.604 0.111 1
2 1059 . 20 1 1 A 86 86 ILE CA C 81 62.073 63.969 -1.896 1
2 1060 . 20 1 1 A 86 86 ILE HA H 81 3.934 4.128 -0.194 1
2 1061 . 20 1 1 A 86 86 ILE CB C 81 37.966 36.304 1.662 1
2 1074 . 20 1 1 A 86 86 ILE C C 81 176.673 175.461 1.212 1
2 1075 . 20 1 1 A 87 87 GLN N N 82 121.386 120.755 0.631 1
2 1076 . 20 1 1 A 87 87 GLN H H 82 8.164 8.149 0.015 1
2 1077 . 20 1 1 A 87 87 GLN CA C 82 55.968 55.734 0.234 1
2 1078 . 20 1 1 A 87 87 GLN HA H 82 4.214 4.272 -0.058 1
2 1079 . 20 1 1 A 87 87 GLN CB C 82 28.735 29.012 -0.277 1
2 1088 . 20 1 1 A 87 87 GLN C C 82 175.836 175.186 0.650 1
2 1089 . 20 1 1 A 88 88 CYS N N 83 118.663 125.803 -7.140 1
2 1090 . 20 1 1 A 88 88 CYS H H 83 8.238 8.028 0.210 1
2 1091 . 20 1 1 A 88 88 CYS CA C 83 57.997 60.017 -2.020 1
2 1092 . 20 1 1 A 88 88 CYS HA H 83 4.467 4.673 -0.206 1
2 1093 . 20 1 1 A 88 88 CYS CB C 83 27.582 30.421 -2.839 1
2 1096 . 20 1 1 A 88 88 CYS C C 83 173.432 174.518 -1.086 1
2 1097 . 20 1 1 A 89 89 ALA N N 84 127.014 121.216 5.798 1
2 1098 . 20 1 1 A 89 89 ALA H H 84 8.249 7.991 0.258 1
2 1099 . 20 1 1 A 89 89 ALA CA C 84 50.607 52.842 -2.235 1
2 1100 . 20 1 1 A 89 89 ALA HA H 84 4.544 4.044 0.500 1
2 1104 . 20 1 1 A 89 89 ALA CB C 84 17.658 17.571 0.087 1
2 1105 . 20 1 1 A 89 89 ALA C C 84 175.125 178.301 -3.176 1
2 1107 . 20 1 1 A 90 90 PRO CA C 85 62.995 63.707 -0.712 1
2 1108 . 20 1 1 A 90 90 PRO HA H 85 4.373 4.434 -0.061 1
2 1109 . 20 1 1 A 90 90 PRO CB C 85 31.692 32.158 -0.466 1
2 1117 . 20 1 1 A 90 90 PRO C C 85 176.407 177.039 -0.632 1
2 1118 . 20 1 1 A 91 91 ASP N N 86 119.209 118.744 0.465 1
2 1119 . 20 1 1 A 91 91 ASP H H 86 8.429 8.142 0.287 1
2 1120 . 20 1 1 A 91 91 ASP CA C 86 53.752 54.802 -1.050 1
2 1121 . 20 1 1 A 91 91 ASP HA H 86 4.394 4.324 0.070 1
2 1122 . 20 1 1 A 91 91 ASP CB C 86 40.319 39.098 1.221 1
2 1125 . 20 1 1 A 91 91 ASP C C 86 176.101 176.148 -0.047 1
2 1126 . 20 1 1 A 92 92 LEU N N 87 122.571 121.022 1.549 1
2 1127 . 20 1 1 A 92 92 LEU H H 87 8.208 8.069 0.139 1
2 1128 . 20 1 1 A 92 92 LEU CA C 87 55.286 56.801 -1.515 1
2 1129 . 20 1 1 A 92 92 LEU HA H 87 4.204 4.077 0.127 1
2 1130 . 20 1 1 A 92 92 LEU CB C 87 41.786 42.232 -0.446 1
2 1143 . 20 1 1 A 92 92 LEU C C 87 177.406 176.317 1.089 1
2 1144 . 20 1 1 A 93 93 ALA N N 88 123.131 120.573 2.558 1
2 1145 . 20 1 1 A 93 93 ALA H H 88 8.305 7.936 0.369 1
2 1146 . 20 1 1 A 93 93 ALA CA C 88 52.876 53.434 -0.558 1
2 1147 . 20 1 1 A 93 93 ALA HA H 88 4.263 4.007 0.256 1
2 1151 . 20 1 1 A 93 93 ALA CB C 88 18.672 17.611 1.061 1
2 1152 . 20 1 1 A 93 93 ALA C C 88 178.033 176.421 1.612 1
2 1153 . 20 1 1 A 94 94 THR N N 89 112.097 102.374 9.723 1
2 1154 . 20 1 1 A 94 94 THR H H 89 7.994 8.236 -0.242 1
2 1155 . 20 1 1 A 94 94 THR CA C 89 61.640 62.999 -1.359 1
2 1156 . 20 1 1 A 94 94 THR HA H 89 4.251 3.885 0.366 1
2 1157 . 20 1 1 A 94 94 THR CB C 89 69.063 66.339 2.724 1
2 1163 . 20 1 1 A 94 94 THR C C 89 174.493 173.862 0.631 1
2 1164 . 20 1 1 A 95 95 ARG N N 90 122.704 113.172 9.532 1
2 1165 . 20 1 1 A 95 95 ARG H H 90 8.211 8.208 0.003 1
2 1166 . 20 1 1 A 95 95 ARG CA C 90 55.718 57.095 -1.377 1
2 1167 . 20 1 1 A 95 95 ARG HA H 90 4.324 3.895 0.429 1
2 1168 . 20 1 1 A 95 95 ARG CB C 90 30.309 27.489 2.820 1
2 1179 . 20 1 1 A 95 95 ARG C C 90 175.927 174.524 1.403 1
2 1180 . 20 1 1 A 96 96 SER N N 91 116.390 113.699 2.691 1
2 1181 . 20 1 1 A 96 96 SER H H 91 8.365 7.606 0.759 1
2 1182 . 20 1 1 A 96 96 SER CA C 91 57.823 57.368 0.455 1
2 1183 . 20 1 1 A 96 96 SER HA H 91 4.356 4.704 -0.348 1
2 1184 . 20 1 1 A 96 96 SER CB C 91 63.214 63.157 0.057 1
2 1187 . 20 1 1 A 96 96 SER C C 91 174.011 174.250 -0.239 1
2 1188 . 20 1 1 A 97 97 HIS N N 92 120.507 126.379 -5.872 1
2 1189 . 20 1 1 A 97 97 HIS H H 92 8.541 8.869 -0.328 1
2 1190 . 20 1 1 A 97 97 HIS CA C 92 54.960 57.626 -2.666 1
2 1191 . 20 1 1 A 97 97 HIS HA H 92 4.704 4.671 0.033 1
2 1192 . 20 1 1 A 97 97 HIS CB C 92 28.518 31.323 -2.805 1
2 1197 . 20 1 1 A 97 97 HIS C C 92 174.186 175.156 -0.970 1
2 1198 . 20 1 1 A 98 98 SER N N 93 116.801 113.928 2.873 1
2 1199 . 20 1 1 A 98 98 SER H H 93 8.455 7.840 0.615 1
2 1200 . 20 1 1 A 98 98 SER CA C 93 57.880 57.460 0.420 1
2 1201 . 20 1 1 A 98 98 SER HA H 93 4.445 4.581 -0.136 1
2 1202 . 20 1 1 A 98 98 SER CB C 93 63.434 63.863 -0.429 1
2 1205 . 20 1 1 A 98 98 SER C C 93 174.508 172.924 1.584 1
2 1206 . 20 1 1 A 99 99 GLY N N 94 111.114 109.226 1.888 1
2 1207 . 20 1 1 A 99 99 GLY H H 94 8.597 7.623 0.974 1
2 1208 . 20 1 1 A 99 99 GLY CA C 94 44.888 45.732 -0.844 1
2 1209 . 20 1 1 A 99 99 GLY HA2 H 94 3.998 4.194 -0.196 1
2 1210 . 20 1 1 A 99 99 GLY HA3 H 94 3.998 4.217 -0.219 1
2 1211 . 20 1 1 A 99 99 GLY C C 94 173.856 172.546 1.310 1
2 1212 . 20 1 1 A 100 100 SER N N 95 115.398 119.070 -3.672 1
2 1213 . 20 1 1 A 100 100 SER H H 95 8.311 8.938 -0.627 1
2 1214 . 20 1 1 A 100 100 SER CA C 95 57.888 58.062 -0.174 1
2 1215 . 20 1 1 A 100 100 SER HA H 95 4.408 4.897 -0.489 1
2 1216 . 20 1 1 A 100 100 SER CB C 95 63.328 65.762 -2.434 1
2 1219 . 20 1 1 A 100 100 SER C C 95 173.725 172.755 0.970 1
2 1220 . 20 1 1 A 101 101 ASP N N 96 121.810 124.683 -2.873 1
2 1221 . 20 1 1 A 101 101 ASP H H 96 8.380 8.901 -0.521 1
2 1222 . 20 1 1 A 101 101 ASP CA C 96 53.813 55.841 -2.028 1
2 1223 . 20 1 1 A 101 101 ASP HA H 96 4.536 4.281 0.255 1
2 1224 . 20 1 1 A 101 101 ASP CB C 96 40.438 39.581 0.857 1
2 1227 . 20 1 1 A 101 101 ASP C C 96 175.524 175.724 -0.200 1
2 1228 . 20 1 1 A 102 102 PHE N N 97 120.706 119.361 1.345 1
2 1229 . 20 1 1 A 102 102 PHE H H 97 8.249 8.252 -0.003 1
2 1230 . 20 1 1 A 102 102 PHE CA C 97 57.323 58.190 -0.867 1
2 1231 . 20 1 1 A 102 102 PHE HA H 97 4.527 4.625 -0.098 1
2 1232 . 20 1 1 A 102 102 PHE CB C 97 38.989 39.832 -0.843 1
2 1238 . 20 1 1 A 102 102 PHE C C 97 175.246 175.810 -0.564 1
2 1239 . 20 1 1 A 103 103 SER N N 98 116.992 115.153 1.839 1
2 1240 . 20 1 1 A 103 103 SER H H 98 8.167 8.027 0.140 1
2 1241 . 20 1 1 A 103 103 SER CA C 98 57.883 57.667 0.216 1
2 1242 . 20 1 1 A 103 103 SER HA H 98 4.317 4.802 -0.485 1
2 1243 . 20 1 1 A 103 103 SER CB C 98 63.301 63.709 -0.408 1
2 1246 . 20 1 1 A 103 103 SER C C 98 173.244 173.125 0.119 1
2 1247 . 20 1 1 A 104 104 PHE N N 99 122.000 124.371 -2.371 1
2 1248 . 20 1 1 A 104 104 PHE H H 99 8.170 8.513 -0.343 1
2 1249 . 20 1 1 A 104 104 PHE CA C 99 57.236 56.641 0.595 1
2 1250 . 20 1 1 A 104 104 PHE HA H 99 4.529 4.747 -0.218 1
2 1251 . 20 1 1 A 104 104 PHE CB C 99 38.997 38.193 0.804 1
2 1257 . 20 1 1 A 104 104 PHE C C 99 174.632 174.330 0.302 1
2 1258 . 20 1 1 A 105 105 ARG N N 100 124.796 125.573 -0.777 1
2 1259 . 20 1 1 A 105 105 ARG H H 100 8.101 8.013 0.088 1
2 1260 . 20 1 1 A 105 105 ARG CA C 100 52.969 53.303 -0.334 1
2 1261 . 20 1 1 A 105 105 ARG HA H 100 4.516 4.848 -0.332 1
2 1262 . 20 1 1 A 105 105 ARG CB C 100 30.069 30.955 -0.886 1
2 1271 . 20 1 1 A 105 105 ARG C C 100 172.924 173.115 -0.191 1
2 1273 . 20 1 1 A 106 106 PRO CA C 101 62.673 62.267 0.406 1
2 1274 . 20 1 1 A 106 106 PRO HA H 101 4.351 4.702 -0.351 1
2 1275 . 20 1 1 A 106 106 PRO CB C 101 31.726 33.207 -1.481 1
2 1283 . 20 1 1 A 106 106 PRO C C 101 176.395 176.350 0.045 1
2 1284 . 20 1 1 A 107 107 ILE N N 102 121.380 121.074 0.306 1
2 1285 . 20 1 1 A 107 107 ILE H H 102 8.350 8.338 0.012 1
2 1286 . 20 1 1 A 107 107 ILE CA C 102 60.940 60.393 0.547 1
2 1287 . 20 1 1 A 107 107 ILE HA H 102 4.039 4.566 -0.527 1
2 1288 . 20 1 1 A 107 107 ILE CB C 102 38.204 38.860 -0.656 1
2 1301 . 20 1 1 A 107 107 ILE C C 102 175.990 176.364 -0.374 1
2 1302 . 20 1 1 A 108 108 GLU N N 103 124.836 122.640 2.196 1
2 1303 . 20 1 1 A 108 108 GLU H H 103 8.578 7.925 0.653 1
2 1304 . 20 1 1 A 108 108 GLU CA C 103 55.883 59.282 -3.399 1
2 1305 . 20 1 1 A 108 108 GLU HA H 103 4.280 3.896 0.384 1
2 1306 . 20 1 1 A 108 108 GLU CB C 103 29.902 29.531 0.371 1
2 1312 . 20 1 1 A 108 108 GLU C C 103 175.670 176.406 -0.736 1
2 1313 . 20 1 1 A 109 109 GLU N N 104 122.847 119.253 3.594 1
2 1314 . 20 1 1 A 109 109 GLU H H 104 8.459 7.975 0.484 1
2 1315 . 20 1 1 A 109 109 GLU CA C 104 55.902 57.237 -1.335 1
2 1316 . 20 1 1 A 109 109 GLU HA H 104 4.267 3.994 0.273 1
2 1317 . 20 1 1 A 109 109 GLU CB C 104 29.985 28.014 1.971 1
2 1322 . 20 1 1 A 109 109 GLU C C 104 174.661 176.037 -1.376 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 105 0.973 1
2 1 1 1 "RMS(OBS, PRED)" CA 106 1.258 1
3 1 1 1 "RMS(OBS, PRED)" CB 100 1.225 1
4 1 1 1 "RMS(OBS, PRED)" H 103 0.503 1
5 1 1 1 "RMS(OBS, PRED)" HA 112 0.237 1
6 1 1 1 "RMS(OBS, PRED)" N 103 3.044 1
7 1 2 1 "RMS(OBS, PRED)" C 105 0.983 1
8 1 2 1 "RMS(OBS, PRED)" CA 106 1.197 1
9 1 2 1 "RMS(OBS, PRED)" CB 100 1.219 1
10 1 2 1 "RMS(OBS, PRED)" H 103 0.467 1
11 1 2 1 "RMS(OBS, PRED)" HA 112 0.228 1
12 1 2 1 "RMS(OBS, PRED)" N 103 3.122 1
13 1 3 1 "RMS(OBS, PRED)" C 105 1.006 1
14 1 3 1 "RMS(OBS, PRED)" CA 106 1.239 1
15 1 3 1 "RMS(OBS, PRED)" CB 100 1.138 1
16 1 3 1 "RMS(OBS, PRED)" H 103 0.482 1
17 1 3 1 "RMS(OBS, PRED)" HA 112 0.263 1
18 1 3 1 "RMS(OBS, PRED)" N 103 2.796 1
19 1 4 1 "RMS(OBS, PRED)" C 105 1.009 1
20 1 4 1 "RMS(OBS, PRED)" CA 106 1.268 1
21 1 4 1 "RMS(OBS, PRED)" CB 100 1.135 1
22 1 4 1 "RMS(OBS, PRED)" H 103 0.516 1
23 1 4 1 "RMS(OBS, PRED)" HA 112 0.274 1
24 1 4 1 "RMS(OBS, PRED)" N 103 3.107 1
25 1 5 1 "RMS(OBS, PRED)" C 105 1.064 1
26 1 5 1 "RMS(OBS, PRED)" CA 106 1.269 1
27 1 5 1 "RMS(OBS, PRED)" CB 100 1.203 1
28 1 5 1 "RMS(OBS, PRED)" H 103 0.509 1
29 1 5 1 "RMS(OBS, PRED)" HA 112 0.254 1
30 1 5 1 "RMS(OBS, PRED)" N 103 3.181 1
31 1 6 1 "RMS(OBS, PRED)" C 105 0.998 1
32 1 6 1 "RMS(OBS, PRED)" CA 106 1.142 1
33 1 6 1 "RMS(OBS, PRED)" CB 100 1.161 1
34 1 6 1 "RMS(OBS, PRED)" H 103 0.467 1
35 1 6 1 "RMS(OBS, PRED)" HA 112 0.267 1
36 1 6 1 "RMS(OBS, PRED)" N 103 3.004 1
37 1 7 1 "RMS(OBS, PRED)" C 105 0.927 1
38 1 7 1 "RMS(OBS, PRED)" CA 106 1.229 1
39 1 7 1 "RMS(OBS, PRED)" CB 100 0.995 1
40 1 7 1 "RMS(OBS, PRED)" H 103 0.478 1
41 1 7 1 "RMS(OBS, PRED)" HA 112 0.258 1
42 1 7 1 "RMS(OBS, PRED)" N 103 2.649 1
43 1 8 1 "RMS(OBS, PRED)" C 105 1.008 1
44 1 8 1 "RMS(OBS, PRED)" CA 106 1.236 1
45 1 8 1 "RMS(OBS, PRED)" CB 100 1.189 1
46 1 8 1 "RMS(OBS, PRED)" H 103 0.466 1
47 1 8 1 "RMS(OBS, PRED)" HA 112 0.232 1
48 1 8 1 "RMS(OBS, PRED)" N 103 3.264 1
49 1 9 1 "RMS(OBS, PRED)" C 105 1.016 1
50 1 9 1 "RMS(OBS, PRED)" CA 106 1.256 1
51 1 9 1 "RMS(OBS, PRED)" CB 100 1.179 1
52 1 9 1 "RMS(OBS, PRED)" H 103 0.479 1
53 1 9 1 "RMS(OBS, PRED)" HA 112 0.235 1
54 1 9 1 "RMS(OBS, PRED)" N 103 3.036 1
55 1 10 1 "RMS(OBS, PRED)" C 105 1.028 1
56 1 10 1 "RMS(OBS, PRED)" CA 106 1.202 1
57 1 10 1 "RMS(OBS, PRED)" CB 100 1.179 1
58 1 10 1 "RMS(OBS, PRED)" H 103 0.487 1
59 1 10 1 "RMS(OBS, PRED)" HA 112 0.240 1
60 1 10 1 "RMS(OBS, PRED)" N 103 3.053 1
61 1 11 1 "RMS(OBS, PRED)" C 105 1.023 1
62 1 11 1 "RMS(OBS, PRED)" CA 106 1.440 1
63 1 11 1 "RMS(OBS, PRED)" CB 100 1.065 1
64 1 11 1 "RMS(OBS, PRED)" H 103 0.447 1
65 1 11 1 "RMS(OBS, PRED)" HA 112 0.241 1
66 1 11 1 "RMS(OBS, PRED)" N 103 3.151 1
67 1 12 1 "RMS(OBS, PRED)" C 105 1.027 1
68 1 12 1 "RMS(OBS, PRED)" CA 106 1.282 1
69 1 12 1 "RMS(OBS, PRED)" CB 100 1.253 1
70 1 12 1 "RMS(OBS, PRED)" H 103 0.473 1
71 1 12 1 "RMS(OBS, PRED)" HA 112 0.250 1
72 1 12 1 "RMS(OBS, PRED)" N 103 3.352 1
73 1 13 1 "RMS(OBS, PRED)" C 105 1.064 1
74 1 13 1 "RMS(OBS, PRED)" CA 106 1.223 1
75 1 13 1 "RMS(OBS, PRED)" CB 100 1.194 1
76 1 13 1 "RMS(OBS, PRED)" H 103 0.498 1
77 1 13 1 "RMS(OBS, PRED)" HA 112 0.240 1
78 1 13 1 "RMS(OBS, PRED)" N 103 2.904 1
79 1 14 1 "RMS(OBS, PRED)" C 105 1.126 1
80 1 14 1 "RMS(OBS, PRED)" CA 106 1.426 1
81 1 14 1 "RMS(OBS, PRED)" CB 100 1.314 1
82 1 14 1 "RMS(OBS, PRED)" H 103 0.479 1
83 1 14 1 "RMS(OBS, PRED)" HA 112 0.225 1
84 1 14 1 "RMS(OBS, PRED)" N 103 3.218 1
85 1 15 1 "RMS(OBS, PRED)" C 105 0.988 1
86 1 15 1 "RMS(OBS, PRED)" CA 106 1.195 1
87 1 15 1 "RMS(OBS, PRED)" CB 100 1.048 1
88 1 15 1 "RMS(OBS, PRED)" H 103 0.508 1
89 1 15 1 "RMS(OBS, PRED)" HA 112 0.258 1
90 1 15 1 "RMS(OBS, PRED)" N 103 2.824 1
91 1 16 1 "RMS(OBS, PRED)" C 105 0.977 1
92 1 16 1 "RMS(OBS, PRED)" CA 106 1.279 1
93 1 16 1 "RMS(OBS, PRED)" CB 100 1.199 1
94 1 16 1 "RMS(OBS, PRED)" H 103 0.476 1
95 1 16 1 "RMS(OBS, PRED)" HA 112 0.238 1
96 1 16 1 "RMS(OBS, PRED)" N 103 3.021 1
97 1 17 1 "RMS(OBS, PRED)" C 105 0.999 1
98 1 17 1 "RMS(OBS, PRED)" CA 106 1.330 1
99 1 17 1 "RMS(OBS, PRED)" CB 100 1.127 1
100 1 17 1 "RMS(OBS, PRED)" H 103 0.476 1
101 1 17 1 "RMS(OBS, PRED)" HA 112 0.244 1
102 1 17 1 "RMS(OBS, PRED)" N 103 2.776 1
103 1 18 1 "RMS(OBS, PRED)" C 105 1.060 1
104 1 18 1 "RMS(OBS, PRED)" CA 106 1.307 1
105 1 18 1 "RMS(OBS, PRED)" CB 100 1.335 1
106 1 18 1 "RMS(OBS, PRED)" H 103 0.476 1
107 1 18 1 "RMS(OBS, PRED)" HA 112 0.240 1
108 1 18 1 "RMS(OBS, PRED)" N 103 3.183 1
109 1 19 1 "RMS(OBS, PRED)" C 105 1.034 1
110 1 19 1 "RMS(OBS, PRED)" CA 106 1.241 1
111 1 19 1 "RMS(OBS, PRED)" CB 100 1.129 1
112 1 19 1 "RMS(OBS, PRED)" H 103 0.477 1
113 1 19 1 "RMS(OBS, PRED)" HA 112 0.246 1
114 1 19 1 "RMS(OBS, PRED)" N 103 2.798 1
115 1 20 1 "RMS(OBS, PRED)" C 105 1.085 1
116 1 20 1 "RMS(OBS, PRED)" CA 106 1.434 1
117 1 20 1 "RMS(OBS, PRED)" CB 100 1.246 1
118 1 20 1 "RMS(OBS, PRED)" H 103 0.503 1
119 1 20 1 "RMS(OBS, PRED)" HA 112 0.238 1
120 1 20 1 "RMS(OBS, PRED)" N 103 3.237 1
121 2 1 1 "RMS(OBS, PRED)" C 105 0.969 1
122 2 1 1 "RMS(OBS, PRED)" CA 106 1.270 1
123 2 1 1 "RMS(OBS, PRED)" CB 100 1.215 1
124 2 1 1 "RMS(OBS, PRED)" H 103 0.503 1
125 2 1 1 "RMS(OBS, PRED)" HA 112 0.238 1
126 2 1 1 "RMS(OBS, PRED)" N 103 3.044 1
127 2 2 1 "RMS(OBS, PRED)" C 105 0.980 1
128 2 2 1 "RMS(OBS, PRED)" CA 106 1.214 1
129 2 2 1 "RMS(OBS, PRED)" CB 100 1.211 1
130 2 2 1 "RMS(OBS, PRED)" H 103 0.467 1
131 2 2 1 "RMS(OBS, PRED)" HA 112 0.230 1
132 2 2 1 "RMS(OBS, PRED)" N 103 3.122 1
133 2 3 1 "RMS(OBS, PRED)" C 105 1.007 1
134 2 3 1 "RMS(OBS, PRED)" CA 106 1.252 1
135 2 3 1 "RMS(OBS, PRED)" CB 100 1.126 1
136 2 3 1 "RMS(OBS, PRED)" H 103 0.482 1
137 2 3 1 "RMS(OBS, PRED)" HA 112 0.263 1
138 2 3 1 "RMS(OBS, PRED)" N 103 2.796 1
139 2 4 1 "RMS(OBS, PRED)" C 105 1.008 1
140 2 4 1 "RMS(OBS, PRED)" CA 106 1.285 1
141 2 4 1 "RMS(OBS, PRED)" CB 100 1.120 1
142 2 4 1 "RMS(OBS, PRED)" H 103 0.516 1
143 2 4 1 "RMS(OBS, PRED)" HA 112 0.274 1
144 2 4 1 "RMS(OBS, PRED)" N 103 3.107 1
145 2 5 1 "RMS(OBS, PRED)" C 105 1.062 1
146 2 5 1 "RMS(OBS, PRED)" CA 106 1.278 1
147 2 5 1 "RMS(OBS, PRED)" CB 100 1.192 1
148 2 5 1 "RMS(OBS, PRED)" H 103 0.509 1
149 2 5 1 "RMS(OBS, PRED)" HA 112 0.254 1
150 2 5 1 "RMS(OBS, PRED)" N 103 3.181 1
151 2 6 1 "RMS(OBS, PRED)" C 105 0.998 1
152 2 6 1 "RMS(OBS, PRED)" CA 106 1.160 1
153 2 6 1 "RMS(OBS, PRED)" CB 100 1.142 1
154 2 6 1 "RMS(OBS, PRED)" H 103 0.467 1
155 2 6 1 "RMS(OBS, PRED)" HA 112 0.268 1
156 2 6 1 "RMS(OBS, PRED)" N 103 3.004 1
157 2 7 1 "RMS(OBS, PRED)" C 105 0.932 1
158 2 7 1 "RMS(OBS, PRED)" CA 106 1.248 1
159 2 7 1 "RMS(OBS, PRED)" CB 100 0.967 1
160 2 7 1 "RMS(OBS, PRED)" H 103 0.478 1
161 2 7 1 "RMS(OBS, PRED)" HA 112 0.258 1
162 2 7 1 "RMS(OBS, PRED)" N 103 2.649 1
163 2 8 1 "RMS(OBS, PRED)" C 105 1.008 1
164 2 8 1 "RMS(OBS, PRED)" CA 106 1.246 1
165 2 8 1 "RMS(OBS, PRED)" CB 100 1.182 1
166 2 8 1 "RMS(OBS, PRED)" H 103 0.466 1
167 2 8 1 "RMS(OBS, PRED)" HA 112 0.234 1
168 2 8 1 "RMS(OBS, PRED)" N 103 3.263 1
169 2 9 1 "RMS(OBS, PRED)" C 105 1.018 1
170 2 9 1 "RMS(OBS, PRED)" CA 106 1.274 1
171 2 9 1 "RMS(OBS, PRED)" CB 100 1.168 1
172 2 9 1 "RMS(OBS, PRED)" H 103 0.479 1
173 2 9 1 "RMS(OBS, PRED)" HA 112 0.236 1
174 2 9 1 "RMS(OBS, PRED)" N 103 3.036 1
175 2 10 1 "RMS(OBS, PRED)" C 105 1.029 1
176 2 10 1 "RMS(OBS, PRED)" CA 106 1.225 1
177 2 10 1 "RMS(OBS, PRED)" CB 100 1.168 1
178 2 10 1 "RMS(OBS, PRED)" H 103 0.487 1
179 2 10 1 "RMS(OBS, PRED)" HA 112 0.242 1
180 2 10 1 "RMS(OBS, PRED)" N 103 3.053 1
181 2 11 1 "RMS(OBS, PRED)" C 105 1.021 1
182 2 11 1 "RMS(OBS, PRED)" CA 106 1.461 1
183 2 11 1 "RMS(OBS, PRED)" CB 100 1.059 1
184 2 11 1 "RMS(OBS, PRED)" H 103 0.447 1
185 2 11 1 "RMS(OBS, PRED)" HA 112 0.241 1
186 2 11 1 "RMS(OBS, PRED)" N 103 3.151 1
187 2 12 1 "RMS(OBS, PRED)" C 105 1.023 1
188 2 12 1 "RMS(OBS, PRED)" CA 106 1.298 1
189 2 12 1 "RMS(OBS, PRED)" CB 100 1.233 1
190 2 12 1 "RMS(OBS, PRED)" H 103 0.473 1
191 2 12 1 "RMS(OBS, PRED)" HA 112 0.249 1
192 2 12 1 "RMS(OBS, PRED)" N 103 3.352 1
193 2 13 1 "RMS(OBS, PRED)" C 105 1.062 1
194 2 13 1 "RMS(OBS, PRED)" CA 106 1.233 1
195 2 13 1 "RMS(OBS, PRED)" CB 100 1.174 1
196 2 13 1 "RMS(OBS, PRED)" H 103 0.498 1
197 2 13 1 "RMS(OBS, PRED)" HA 112 0.242 1
198 2 13 1 "RMS(OBS, PRED)" N 103 2.904 1
199 2 14 1 "RMS(OBS, PRED)" C 105 1.124 1
200 2 14 1 "RMS(OBS, PRED)" CA 106 1.443 1
201 2 14 1 "RMS(OBS, PRED)" CB 100 1.298 1
202 2 14 1 "RMS(OBS, PRED)" H 103 0.479 1
203 2 14 1 "RMS(OBS, PRED)" HA 112 0.224 1
204 2 14 1 "RMS(OBS, PRED)" N 103 3.217 1
205 2 15 1 "RMS(OBS, PRED)" C 105 0.988 1
206 2 15 1 "RMS(OBS, PRED)" CA 106 1.214 1
207 2 15 1 "RMS(OBS, PRED)" CB 100 1.040 1
208 2 15 1 "RMS(OBS, PRED)" H 103 0.508 1
209 2 15 1 "RMS(OBS, PRED)" HA 112 0.259 1
210 2 15 1 "RMS(OBS, PRED)" N 103 2.824 1
211 2 16 1 "RMS(OBS, PRED)" C 105 0.977 1
212 2 16 1 "RMS(OBS, PRED)" CA 106 1.295 1
213 2 16 1 "RMS(OBS, PRED)" CB 100 1.188 1
214 2 16 1 "RMS(OBS, PRED)" H 103 0.476 1
215 2 16 1 "RMS(OBS, PRED)" HA 112 0.238 1
216 2 16 1 "RMS(OBS, PRED)" N 103 3.021 1
217 2 17 1 "RMS(OBS, PRED)" C 105 1.001 1
218 2 17 1 "RMS(OBS, PRED)" CA 106 1.346 1
219 2 17 1 "RMS(OBS, PRED)" CB 100 1.117 1
220 2 17 1 "RMS(OBS, PRED)" H 103 0.476 1
221 2 17 1 "RMS(OBS, PRED)" HA 112 0.244 1
222 2 17 1 "RMS(OBS, PRED)" N 103 2.775 1
223 2 18 1 "RMS(OBS, PRED)" C 105 1.056 1
224 2 18 1 "RMS(OBS, PRED)" CA 106 1.322 1
225 2 18 1 "RMS(OBS, PRED)" CB 100 1.320 1
226 2 18 1 "RMS(OBS, PRED)" H 103 0.476 1
227 2 18 1 "RMS(OBS, PRED)" HA 112 0.242 1
228 2 18 1 "RMS(OBS, PRED)" N 103 3.183 1
229 2 19 1 "RMS(OBS, PRED)" C 105 1.036 1
230 2 19 1 "RMS(OBS, PRED)" CA 106 1.262 1
231 2 19 1 "RMS(OBS, PRED)" CB 100 1.107 1
232 2 19 1 "RMS(OBS, PRED)" H 103 0.477 1
233 2 19 1 "RMS(OBS, PRED)" HA 112 0.247 1
234 2 19 1 "RMS(OBS, PRED)" N 103 2.797 1
235 2 20 1 "RMS(OBS, PRED)" C 105 1.088 1
236 2 20 1 "RMS(OBS, PRED)" CA 106 1.448 1
237 2 20 1 "RMS(OBS, PRED)" CB 100 1.241 1
238 2 20 1 "RMS(OBS, PRED)" H 103 0.503 1
239 2 20 1 "RMS(OBS, PRED)" HA 112 0.239 1
240 2 20 1 "RMS(OBS, PRED)" N 103 3.237 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 3 . 1 1 A 2 2 SER N N -4 115.528 116.232 -0.704 2
1 4 . 1 1 A 2 2 SER H H -4 8.751 8.300 0.451 2
1 5 . 1 1 A 2 2 SER CA C -4 57.819 58.427 -0.608 2
1 6 . 1 1 A 2 2 SER HA H -4 4.461 4.494 -0.033 2
1 7 . 1 1 A 2 2 SER CB C -4 63.389 64.029 -0.640 2
1 8 . 1 1 A 2 2 SER C C -4 173.924 173.801 0.123 2
1 9 . 1 1 A 3 3 HIS N N -3 120.998 116.053 4.945 2
1 10 . 1 1 A 3 3 HIS H H -3 8.769 7.950 0.819 2
1 11 . 1 1 A 3 3 HIS CA C -3 55.238 55.635 -0.397 2
1 12 . 1 1 A 3 3 HIS HA H -3 4.703 4.573 0.130 2
1 13 . 1 1 A 3 3 HIS CB C -3 28.916 28.604 0.312 2
1 16 . 1 1 A 3 3 HIS C C -3 174.207 174.337 -0.130 2
1 17 . 1 1 A 4 4 MET N N -2 122.227 118.946 3.281 2
1 18 . 1 1 A 4 4 MET H H -2 8.518 8.148 0.370 2
1 19 . 1 1 A 4 4 MET CA C -2 55.003 55.200 -0.197 2
1 20 . 1 1 A 4 4 MET HA H -2 4.420 4.641 -0.221 2
1 21 . 1 1 A 4 4 MET CB C -2 32.578 33.085 -0.507 2
1 31 . 1 1 A 4 4 MET C C -2 175.475 175.131 0.344 2
1 49 . 1 1 A 7 7 ALA N N 2 124.543 122.956 1.588 2
1 50 . 1 1 A 7 7 ALA H H 2 8.453 8.141 0.312 2
1 51 . 1 1 A 7 7 ALA CA C 2 53.203 54.706 -1.503 2
1 52 . 1 1 A 7 7 ALA HA H 2 4.211 4.085 0.126 2
1 56 . 1 1 A 7 7 ALA CB C 2 18.387 18.230 0.157 2
1 57 . 1 1 A 7 7 ALA C C 2 178.091 179.324 -1.233 2
1 58 . 1 1 A 8 8 ASP N N 3 118.618 118.526 0.092 2
1 59 . 1 1 A 8 8 ASP H H 3 8.064 7.898 0.166 2
1 60 . 1 1 A 8 8 ASP CA C 3 54.381 56.957 -2.576 2
1 61 . 1 1 A 8 8 ASP HA H 3 4.551 4.390 0.161 2
1 62 . 1 1 A 8 8 ASP CB C 3 40.446 40.883 -0.437 2
1 65 . 1 1 A 8 8 ASP C C 3 176.662 178.368 -1.706 2
1 66 . 1 1 A 9 9 LEU N N 4 123.427 120.721 2.706 2
1 67 . 1 1 A 9 9 LEU H H 4 8.202 7.807 0.395 2
1 68 . 1 1 A 9 9 LEU CA C 4 57.491 57.912 -0.421 2
1 69 . 1 1 A 9 9 LEU HA H 4 4.084 4.034 0.050 2
1 70 . 1 1 A 9 9 LEU CB C 4 41.745 41.646 0.099 2
1 80 . 1 1 A 9 9 LEU C C 4 178.873 178.679 0.194 2
1 81 . 1 1 A 10 10 VAL N N 5 119.385 119.217 0.168 2
1 82 . 1 1 A 10 10 VAL H H 5 8.186 8.380 -0.194 2
1 83 . 1 1 A 10 10 VAL CA C 5 66.686 66.688 -0.002 2
1 84 . 1 1 A 10 10 VAL HA H 5 3.435 3.508 -0.073 2
1 85 . 1 1 A 10 10 VAL CB C 5 31.135 31.554 -0.419 2
1 95 . 1 1 A 10 10 VAL C C 5 177.408 177.917 -0.509 2
1 96 . 1 1 A 11 11 SER N N 6 115.027 115.725 -0.699 2
1 97 . 1 1 A 11 11 SER H H 6 8.252 8.071 0.181 2
1 98 . 1 1 A 11 11 SER CA C 6 61.229 61.934 -0.705 2
1 99 . 1 1 A 11 11 SER HA H 6 4.068 4.082 -0.014 2
1 100 . 1 1 A 11 11 SER CB C 6 62.054 62.764 -0.710 2
1 103 . 1 1 A 11 11 SER C C 6 176.036 176.698 -0.662 2
1 104 . 1 1 A 12 12 SER N N 7 115.144 116.158 -1.014 2
1 105 . 1 1 A 12 12 SER H H 7 8.053 8.069 -0.016 2
1 106 . 1 1 A 12 12 SER CA C 7 60.212 61.575 -1.363 2
1 107 . 1 1 A 12 12 SER HA H 7 4.309 4.096 0.213 2
1 108 . 1 1 A 12 12 SER CB C 7 62.720 62.864 -0.144 2
1 111 . 1 1 A 12 12 SER C C 7 176.540 176.844 -0.304 2
1 112 . 1 1 A 13 13 CYS N N 8 118.211 119.227 -1.016 2
1 113 . 1 1 A 13 13 CYS H H 8 7.919 8.514 -0.595 2
1 114 . 1 1 A 13 13 CYS CA C 8 63.729 63.970 -0.241 2
1 115 . 1 1 A 13 13 CYS HA H 8 4.046 4.109 -0.063 2
1 116 . 1 1 A 13 13 CYS CB C 8 26.703 27.000 -0.297 2
1 119 . 1 1 A 13 13 CYS C C 8 175.645 177.055 -1.410 2
1 120 . 1 1 A 14 14 LYS N N 9 120.074 121.413 -1.339 2
1 121 . 1 1 A 14 14 LYS H H 9 8.632 8.131 0.501 2
1 122 . 1 1 A 14 14 LYS CA C 9 60.438 59.599 0.839 2
1 123 . 1 1 A 14 14 LYS HA H 9 3.668 3.999 -0.331 2
1 124 . 1 1 A 14 14 LYS CB C 9 31.655 32.070 -0.415 2
1 136 . 1 1 A 14 14 LYS C C 9 177.590 177.918 -0.328 2
1 137 . 1 1 A 15 15 ASP N N 10 117.611 119.537 -1.926 2
1 138 . 1 1 A 15 15 ASP H H 10 7.732 8.142 -0.410 2
1 139 . 1 1 A 15 15 ASP CA C 10 56.325 57.417 -1.092 2
1 140 . 1 1 A 15 15 ASP HA H 10 4.320 4.244 0.076 2
1 141 . 1 1 A 15 15 ASP CB C 10 40.092 41.654 -1.562 2
1 144 . 1 1 A 15 15 ASP C C 10 177.731 178.609 -0.878 2
1 145 . 1 1 A 16 16 LYS N N 11 117.878 118.953 -1.075 2
1 146 . 1 1 A 16 16 LYS H H 11 7.254 7.801 -0.547 2
1 147 . 1 1 A 16 16 LYS CA C 11 58.984 59.140 -0.156 2
1 148 . 1 1 A 16 16 LYS HA H 11 3.662 3.777 -0.115 2
1 149 . 1 1 A 16 16 LYS CB C 11 32.933 32.113 0.820 2
1 158 . 1 1 A 16 16 LYS C C 11 177.350 178.374 -1.024 2
1 159 . 1 1 A 17 17 LEU N N 12 115.652 121.628 -5.976 2
1 160 . 1 1 A 17 17 LEU H H 12 8.138 8.418 -0.280 2
1 161 . 1 1 A 17 17 LEU CA C 12 56.722 58.060 -1.338 2
1 162 . 1 1 A 17 17 LEU HA H 12 3.588 4.191 -0.603 2
1 163 . 1 1 A 17 17 LEU CB C 12 41.870 41.344 0.526 2
1 174 . 1 1 A 17 17 LEU C C 12 177.545 178.506 -0.961 2
1 175 . 1 1 A 18 18 ALA N N 13 116.045 120.836 -4.791 2
1 176 . 1 1 A 18 18 ALA H H 13 7.080 8.553 -1.473 2
1 177 . 1 1 A 18 18 ALA CA C 13 53.475 54.700 -1.225 2
1 178 . 1 1 A 18 18 ALA HA H 13 3.984 4.108 -0.124 2
1 182 . 1 1 A 18 18 ALA CB C 13 18.121 18.584 -0.463 2
1 183 . 1 1 A 18 18 ALA C C 13 178.298 179.616 -1.318 2
1 184 . 1 1 A 19 19 TYR N N 14 115.556 119.405 -3.849 2
1 185 . 1 1 A 19 19 TYR H H 14 7.675 7.651 0.024 2
1 186 . 1 1 A 19 19 TYR CA C 14 58.741 59.846 -1.105 2
1 187 . 1 1 A 19 19 TYR HA H 14 4.323 4.180 0.143 2
1 188 . 1 1 A 19 19 TYR CB C 14 38.610 39.076 -0.466 2
1 193 . 1 1 A 19 19 TYR C C 14 176.007 175.849 0.159 2
1 194 . 1 1 A 20 20 PHE N N 15 118.275 119.200 -0.925 2
1 195 . 1 1 A 20 20 PHE H H 15 7.406 7.720 -0.314 2
1 196 . 1 1 A 20 20 PHE CA C 15 56.542 56.999 -0.457 2
1 197 . 1 1 A 20 20 PHE HA H 15 4.652 4.766 -0.114 2
1 198 . 1 1 A 20 20 PHE CB C 15 38.561 40.464 -1.903 2
1 202 . 1 1 A 20 20 PHE C C 15 176.160 175.788 0.372 2
1 203 . 1 1 A 21 21 ARG N N 16 119.140 122.644 -3.504 2
1 204 . 1 1 A 21 21 ARG H H 16 8.714 8.513 0.201 2
1 205 . 1 1 A 21 21 ARG CA C 16 54.474 56.355 -1.881 2
1 206 . 1 1 A 21 21 ARG HA H 16 4.747 4.296 0.451 2
1 207 . 1 1 A 21 21 ARG CB C 16 30.097 31.300 -1.203 2
1 223 . 1 1 A 21 21 ARG C C 16 177.095 177.724 -0.629 2
1 224 . 1 1 A 22 22 ILE N N 17 120.734 123.162 -2.428 2
1 225 . 1 1 A 22 22 ILE H H 17 8.708 8.797 -0.089 2
1 226 . 1 1 A 22 22 ILE CA C 17 65.114 64.729 0.385 2
1 227 . 1 1 A 22 22 ILE HA H 17 3.740 3.723 0.017 2
1 228 . 1 1 A 22 22 ILE CB C 17 36.768 37.611 -0.843 2
1 241 . 1 1 A 22 22 ILE C C 17 176.639 177.966 -1.327 2
1 242 . 1 1 A 23 23 LYS N N 18 118.184 121.585 -3.401 2
1 243 . 1 1 A 23 23 LYS H H 18 8.267 8.232 0.035 2
1 244 . 1 1 A 23 23 LYS CA C 18 59.978 59.928 0.050 2
1 245 . 1 1 A 23 23 LYS HA H 18 3.909 3.899 0.010 2
1 246 . 1 1 A 23 23 LYS CB C 18 32.191 32.323 -0.132 2
1 258 . 1 1 A 23 23 LYS C C 18 178.185 178.883 -0.698 2
1 259 . 1 1 A 24 24 GLU N N 19 117.651 119.394 -1.743 2
1 260 . 1 1 A 24 24 GLU H H 19 7.198 7.989 -0.790 2
1 261 . 1 1 A 24 24 GLU CA C 19 60.601 59.144 1.457 2
1 262 . 1 1 A 24 24 GLU HA H 19 4.056 3.998 0.058 2
1 263 . 1 1 A 24 24 GLU CB C 19 28.859 29.457 -0.598 2
1 269 . 1 1 A 24 24 GLU C C 19 178.542 179.152 -0.610 2
1 270 . 1 1 A 25 25 LEU N N 20 119.236 120.184 -0.948 2
1 271 . 1 1 A 25 25 LEU H H 20 7.980 8.239 -0.259 2
1 272 . 1 1 A 25 25 LEU CA C 20 57.812 57.920 -0.108 2
1 273 . 1 1 A 25 25 LEU HA H 20 3.947 3.995 -0.048 2
1 274 . 1 1 A 25 25 LEU CB C 20 42.172 41.211 0.961 2
1 281 . 1 1 A 25 25 LEU C C 20 178.081 179.224 -1.143 2
1 282 . 1 1 A 26 26 LYS N N 21 117.457 120.413 -2.956 2
1 283 . 1 1 A 26 26 LYS H H 21 8.770 8.491 0.279 2
1 284 . 1 1 A 26 26 LYS CA C 21 60.741 59.878 0.863 2
1 285 . 1 1 A 26 26 LYS HA H 21 3.806 3.935 -0.129 2
1 286 . 1 1 A 26 26 LYS CB C 21 31.876 32.100 -0.224 2
1 287 . 1 1 A 26 26 LYS C C 21 177.659 178.702 -1.043 2
1 288 . 1 1 A 27 27 ASP N N 22 119.023 119.723 -0.700 2
1 289 . 1 1 A 27 27 ASP H H 22 7.671 8.107 -0.435 2
1 290 . 1 1 A 27 27 ASP CA C 22 56.971 57.232 -0.261 2
1 291 . 1 1 A 27 27 ASP HA H 22 4.409 4.451 -0.042 2
1 292 . 1 1 A 27 27 ASP CB C 22 40.196 40.830 -0.634 2
1 295 . 1 1 A 27 27 ASP C C 22 180.796 178.892 1.904 2
1 296 . 1 1 A 28 28 ILE N N 23 119.318 120.095 -0.777 2
1 297 . 1 1 A 28 28 ILE H H 23 8.039 7.807 0.232 2
1 298 . 1 1 A 28 28 ILE CA C 23 65.328 65.532 -0.204 2
1 299 . 1 1 A 28 28 ILE HA H 23 3.601 3.647 -0.046 2
1 300 . 1 1 A 28 28 ILE CB C 23 37.309 38.115 -0.806 2
1 313 . 1 1 A 28 28 ILE C C 23 177.251 178.351 -1.100 2
1 314 . 1 1 A 29 29 LEU N N 24 120.356 120.762 -0.406 2
1 315 . 1 1 A 29 29 LEU H H 24 8.220 8.353 -0.133 2
1 316 . 1 1 A 29 29 LEU CA C 24 58.535 58.177 0.358 2
1 317 . 1 1 A 29 29 LEU HA H 24 3.824 3.984 -0.160 2
1 318 . 1 1 A 29 29 LEU CB C 24 39.478 41.392 -1.914 2
1 326 . 1 1 A 29 29 LEU C C 24 178.599 178.447 0.152 2
1 327 . 1 1 A 30 30 ASN N N 25 117.446 117.261 0.184 2
1 328 . 1 1 A 30 30 ASN H H 25 8.687 8.511 0.176 2
1 329 . 1 1 A 30 30 ASN CA C 25 56.241 56.824 -0.583 2
1 330 . 1 1 A 30 30 ASN HA H 25 4.520 4.370 0.150 2
1 331 . 1 1 A 30 30 ASN CB C 25 38.899 38.861 0.038 2
1 338 . 1 1 A 30 30 ASN C C 25 178.958 177.795 1.163 2
1 339 . 1 1 A 31 31 GLN N N 26 119.946 118.009 1.937 2
1 340 . 1 1 A 31 31 GLN H H 26 8.184 7.789 0.395 2
1 341 . 1 1 A 31 31 GLN CA C 26 58.779 58.549 0.230 2
1 342 . 1 1 A 31 31 GLN HA H 26 4.055 4.089 -0.034 2
1 343 . 1 1 A 31 31 GLN CB C 26 29.109 28.300 0.809 2
1 353 . 1 1 A 31 31 GLN C C 26 177.586 178.846 -1.260 2
1 354 . 1 1 A 32 32 LEU N N 27 116.979 117.648 -0.669 2
1 355 . 1 1 A 32 32 LEU H H 27 7.893 7.699 0.194 2
1 356 . 1 1 A 32 32 LEU CA C 27 54.393 55.681 -1.288 2
1 357 . 1 1 A 32 32 LEU HA H 27 4.240 4.247 -0.007 2
1 358 . 1 1 A 32 32 LEU CB C 27 42.566 42.657 -0.091 2
1 369 . 1 1 A 32 32 LEU C C 27 175.693 177.166 -1.473 2
1 370 . 1 1 A 33 33 GLY N N 28 108.299 107.301 0.998 2
1 371 . 1 1 A 33 33 GLY H H 28 7.834 7.889 -0.055 2
1 372 . 1 1 A 33 33 GLY CA C 28 45.707 45.636 0.071 2
1 373 . 1 1 A 33 33 GLY HA2 H 28 3.952 3.986 -0.034 2
1 374 . 1 1 A 33 33 GLY HA3 H 28 3.952 3.987 -0.035 2
1 375 . 1 1 A 33 33 GLY C C 28 174.317 174.602 -0.285 2
1 376 . 1 1 A 34 34 LEU N N 29 120.833 118.700 2.133 2
1 377 . 1 1 A 34 34 LEU H H 29 7.986 7.897 0.089 2
1 378 . 1 1 A 34 34 LEU CA C 29 51.600 53.475 -1.875 2
1 379 . 1 1 A 34 34 LEU HA H 29 4.760 4.502 0.258 2
1 380 . 1 1 A 34 34 LEU CB C 29 43.531 41.753 1.778 2
1 392 . 1 1 A 35 35 PRO CA C 30 62.741 62.467 0.274 2
1 393 . 1 1 A 35 35 PRO HA H 30 4.365 4.577 -0.212 2
1 394 . 1 1 A 35 35 PRO CB C 30 31.856 31.619 0.237 2
1 402 . 1 1 A 35 35 PRO C C 30 177.334 176.475 0.859 2
1 403 . 1 1 A 36 36 LYS N N 31 117.589 120.606 -3.017 2
1 404 . 1 1 A 36 36 LYS H H 31 8.380 8.625 -0.245 2
1 405 . 1 1 A 36 36 LYS CA C 31 55.569 57.364 -1.795 2
1 406 . 1 1 A 36 36 LYS HA H 31 4.288 4.232 0.056 2
1 407 . 1 1 A 36 36 LYS CB C 31 33.225 32.370 0.855 2
1 417 . 1 1 A 36 36 LYS C C 31 174.406 175.826 -1.420 2
1 418 . 1 1 A 37 37 GLN N N 32 118.260 117.564 0.696 2
1 419 . 1 1 A 37 37 GLN H H 32 7.698 7.897 -0.199 2
1 420 . 1 1 A 37 37 GLN CA C 32 55.716 54.750 0.966 2
1 421 . 1 1 A 37 37 GLN HA H 32 4.392 4.604 -0.212 2
1 422 . 1 1 A 37 37 GLN CB C 32 28.251 30.604 -2.353 2
1 432 . 1 1 A 37 37 GLN C C 32 175.122 175.149 -0.027 2
1 433 . 1 1 A 38 38 GLY N N 33 109.855 107.860 1.995 2
1 434 . 1 1 A 38 38 GLY H H 33 8.449 8.431 0.018 2
1 435 . 1 1 A 38 38 GLY CA C 33 43.315 45.041 -1.726 2
1 436 . 1 1 A 38 38 GLY HA2 H 33 4.600 4.136 0.464 2
1 437 . 1 1 A 38 38 GLY HA3 H 33 3.803 4.137 -0.334 2
1 438 . 1 1 A 38 38 GLY C C 33 173.537 173.400 0.137 2
1 439 . 1 1 A 39 39 LYS N N 34 117.627 121.637 -4.010 2
1 440 . 1 1 A 39 39 LYS H H 34 8.649 8.258 0.391 2
1 441 . 1 1 A 39 39 LYS CA C 34 54.916 55.255 -0.339 2
1 442 . 1 1 A 39 39 LYS HA H 34 4.395 4.495 -0.100 2
1 443 . 1 1 A 39 39 LYS CB C 34 32.893 33.605 -0.712 2
1 455 . 1 1 A 39 39 LYS C C 34 176.803 177.955 -1.152 2
1 456 . 1 1 A 40 40 LYS N N 35 121.705 121.225 0.480 2
1 457 . 1 1 A 40 40 LYS H H 35 8.920 8.798 0.122 2
1 458 . 1 1 A 40 40 LYS CA C 35 61.574 59.761 1.813 2
1 459 . 1 1 A 40 40 LYS HA H 35 3.599 3.935 -0.336 2
1 460 . 1 1 A 40 40 LYS CB C 35 31.924 32.195 -0.271 2
1 472 . 1 1 A 40 40 LYS C C 35 177.366 178.288 -0.922 2
1 473 . 1 1 A 41 41 GLN N N 36 114.634 118.674 -4.040 2
1 474 . 1 1 A 41 41 GLN H H 36 9.017 7.884 1.133 2
1 475 . 1 1 A 41 41 GLN CA C 36 57.636 58.811 -1.175 2
1 476 . 1 1 A 41 41 GLN HA H 36 3.731 4.021 -0.290 2
1 477 . 1 1 A 41 41 GLN CB C 36 27.865 28.329 -0.465 2
1 487 . 1 1 A 41 41 GLN C C 36 176.872 178.367 -1.495 2
1 488 . 1 1 A 42 42 ASP N N 37 115.980 120.243 -4.263 2
1 489 . 1 1 A 42 42 ASP H H 37 7.047 8.096 -1.049 2
1 490 . 1 1 A 42 42 ASP CA C 37 56.593 57.395 -0.802 2
1 491 . 1 1 A 42 42 ASP HA H 37 4.297 4.361 -0.064 2
1 492 . 1 1 A 42 42 ASP CB C 37 39.839 40.801 -0.962 2
1 495 . 1 1 A 42 42 ASP C C 37 178.454 178.929 -0.475 2
1 496 . 1 1 A 43 43 LEU N N 38 119.074 120.532 -1.458 2
1 497 . 1 1 A 43 43 LEU H H 38 7.725 8.268 -0.543 2
1 498 . 1 1 A 43 43 LEU CA C 38 57.713 58.009 -0.296 2
1 499 . 1 1 A 43 43 LEU HA H 38 3.787 3.979 -0.192 2
1 500 . 1 1 A 43 43 LEU CB C 38 40.214 42.249 -2.035 2
1 513 . 1 1 A 43 43 LEU C C 38 177.872 179.027 -1.155 2
1 514 . 1 1 A 44 44 ILE N N 39 118.343 118.598 -0.255 2
1 515 . 1 1 A 44 44 ILE H H 39 7.867 8.117 -0.251 2
1 516 . 1 1 A 44 44 ILE CA C 39 66.090 65.633 0.457 2
1 517 . 1 1 A 44 44 ILE HA H 39 3.321 3.510 -0.189 2
1 518 . 1 1 A 44 44 ILE CB C 39 38.013 37.761 0.252 2
1 528 . 1 1 A 44 44 ILE C C 39 177.711 177.780 -0.069 2
1 529 . 1 1 A 45 45 ASP N N 40 118.533 120.496 -1.963 2
1 530 . 1 1 A 45 45 ASP H H 40 8.503 8.424 0.079 2
1 531 . 1 1 A 45 45 ASP CA C 40 57.009 57.324 -0.315 2
1 532 . 1 1 A 45 45 ASP HA H 40 4.272 4.442 -0.170 2
1 533 . 1 1 A 45 45 ASP CB C 40 39.419 41.086 -1.667 2
1 536 . 1 1 A 45 45 ASP C C 40 178.392 178.914 -0.522 2
1 537 . 1 1 A 46 46 ARG N N 41 120.911 120.038 0.873 2
1 538 . 1 1 A 46 46 ARG H H 41 7.717 7.870 -0.153 2
1 539 . 1 1 A 46 46 ARG CA C 41 59.048 59.610 -0.562 2
1 540 . 1 1 A 46 46 ARG HA H 41 3.991 4.063 -0.072 2
1 541 . 1 1 A 46 46 ARG CB C 41 29.817 30.445 -0.628 2
1 550 . 1 1 A 46 46 ARG C C 41 177.537 178.505 -0.968 2
1 551 . 1 1 A 47 47 VAL N N 42 117.438 119.569 -2.131 2
1 552 . 1 1 A 47 47 VAL H H 42 7.445 8.071 -0.626 2
1 553 . 1 1 A 47 47 VAL CA C 42 65.881 66.384 -0.503 2
1 554 . 1 1 A 47 47 VAL HA H 42 3.442 3.671 -0.229 2
1 555 . 1 1 A 47 47 VAL CB C 42 30.931 31.731 -0.800 2
1 565 . 1 1 A 47 47 VAL C C 42 177.671 178.182 -0.511 2
1 566 . 1 1 A 48 48 LEU N N 43 117.085 117.756 -0.671 2
1 567 . 1 1 A 48 48 LEU H H 43 8.466 8.082 0.384 2
1 568 . 1 1 A 48 48 LEU CA C 43 57.248 57.786 -0.538 2
1 569 . 1 1 A 48 48 LEU HA H 43 3.847 3.963 -0.116 2
1 570 . 1 1 A 48 48 LEU CB C 43 40.720 41.149 -0.429 2
1 583 . 1 1 A 48 48 LEU C C 43 179.581 179.559 0.022 2
1 584 . 1 1 A 49 49 ALA N N 44 120.479 121.975 -1.495 2
1 585 . 1 1 A 49 49 ALA H H 44 7.953 8.038 -0.085 2
1 586 . 1 1 A 49 49 ALA CA C 44 53.997 54.755 -0.758 2
1 587 . 1 1 A 49 49 ALA HA H 44 4.123 4.099 0.024 2
1 591 . 1 1 A 49 49 ALA CB C 44 17.631 18.291 -0.660 2
1 592 . 1 1 A 49 49 ALA C C 44 178.926 179.712 -0.786 2
1 593 . 1 1 A 50 50 LEU N N 45 115.306 120.078 -4.772 2
1 594 . 1 1 A 50 50 LEU H H 45 7.428 7.844 -0.416 2
1 595 . 1 1 A 50 50 LEU CA C 45 55.652 57.668 -2.016 2
1 596 . 1 1 A 50 50 LEU HA H 45 4.219 4.086 0.133 2
1 597 . 1 1 A 50 50 LEU CB C 45 41.846 41.909 -0.063 2
1 610 . 1 1 A 50 50 LEU C C 45 177.840 178.853 -1.013 2
1 611 . 1 1 A 51 51 LEU N N 46 115.880 118.350 -2.470 2
1 612 . 1 1 A 51 51 LEU H H 46 7.642 8.005 -0.363 2
1 613 . 1 1 A 51 51 LEU CA C 46 54.693 56.453 -1.760 2
1 614 . 1 1 A 51 51 LEU HA H 46 4.265 4.176 0.089 2
1 615 . 1 1 A 51 51 LEU CB C 46 42.040 41.807 0.233 2
1 625 . 1 1 A 51 51 LEU C C 46 176.015 177.720 -1.705 2
1 626 . 1 1 A 52 52 THR N N 47 109.201 112.993 -3.792 2
1 627 . 1 1 A 52 52 THR H H 47 7.516 7.522 -0.006 2
1 628 . 1 1 A 52 52 THR CA C 47 60.834 64.611 -3.777 2
1 629 . 1 1 A 52 52 THR HA H 47 4.348 4.281 0.067 2
1 630 . 1 1 A 52 52 THR CB C 47 69.704 69.416 0.288 2
1 636 . 1 1 A 52 52 THR C C 47 173.733 175.427 -1.694 2
1 637 . 1 1 A 53 53 ASP N N 48 122.188 119.245 2.943 2
1 638 . 1 1 A 53 53 ASP H H 48 8.280 8.293 -0.013 2
1 639 . 1 1 A 53 53 ASP CA C 48 54.185 56.307 -2.122 2
1 640 . 1 1 A 53 53 ASP HA H 48 4.699 4.487 0.212 2
1 641 . 1 1 A 53 53 ASP CB C 48 40.749 40.552 0.197 2
1 645 . 1 1 A 53 53 ASP C C 48 176.000 176.779 -0.779 2
1 646 . 1 1 A 54 54 GLU N N 49 121.966 118.543 3.423 2
1 647 . 1 1 A 54 54 GLU H H 49 8.588 7.781 0.807 2
1 648 . 1 1 A 54 54 GLU CA C 49 56.604 55.718 0.886 2
1 649 . 1 1 A 54 54 GLU HA H 49 4.229 4.658 -0.429 2
1 650 . 1 1 A 54 54 GLU CB C 49 29.642 30.728 -1.086 2
1 656 . 1 1 A 54 54 GLU C C 49 176.589 176.848 -0.259 2
1 657 . 1 1 A 55 55 GLN N N 50 120.727 119.151 1.576 2
1 658 . 1 1 A 55 55 GLN H H 50 8.642 7.905 0.737 2
1 659 . 1 1 A 55 55 GLN CA C 50 56.165 56.333 -0.168 2
1 660 . 1 1 A 55 55 GLN HA H 50 4.226 4.155 0.071 2
1 661 . 1 1 A 55 55 GLN CB C 50 28.555 28.572 -0.017 2
1 671 . 1 1 A 55 55 GLN C C 50 176.554 176.748 -0.194 2
1 672 . 1 1 A 56 56 GLY N N 51 109.357 108.595 0.762 2
1 673 . 1 1 A 56 56 GLY H H 51 8.519 7.910 0.609 2
1 674 . 1 1 A 56 56 GLY CA C 51 45.276 46.141 -0.865 2
1 675 . 1 1 A 56 56 GLY HA2 H 51 3.951 3.912 0.039 2
1 676 . 1 1 A 56 56 GLY HA3 H 51 3.815 3.991 -0.176 2
1 677 . 1 1 A 56 56 GLY C C 51 174.146 175.002 -0.856 2
1 678 . 1 1 A 57 57 GLN N N 52 119.207 118.282 0.925 2
1 679 . 1 1 A 57 57 GLN H H 52 8.263 8.073 0.190 2
1 680 . 1 1 A 57 57 GLN CA C 52 55.650 56.876 -1.226 2
1 681 . 1 1 A 57 57 GLN HA H 52 4.217 4.317 -0.100 2
1 682 . 1 1 A 57 57 GLN CB C 52 28.723 28.858 -0.135 2
1 692 . 1 1 A 57 57 GLN C C 52 175.872 176.510 -0.638 2
1 693 . 1 1 A 58 58 ARG N N 53 120.525 116.522 4.003 2
1 694 . 1 1 A 58 58 ARG H H 53 8.279 8.065 0.214 2
1 695 . 1 1 A 58 58 ARG CA C 53 55.854 56.260 -0.406 2
1 696 . 1 1 A 58 58 ARG HA H 53 4.204 4.460 -0.256 2
1 697 . 1 1 A 58 58 ARG CB C 53 29.944 30.280 -0.336 2
1 708 . 1 1 A 58 58 ARG C C 53 175.819 175.990 -0.171 2
1 709 . 1 1 A 59 59 HIS N N 54 118.905 118.435 0.470 2
1 710 . 1 1 A 59 59 HIS H H 54 8.397 7.995 0.402 2
1 711 . 1 1 A 59 59 HIS CA C 54 55.130 56.651 -1.521 2
1 712 . 1 1 A 59 59 HIS HA H 54 4.554 4.630 -0.076 2
1 713 . 1 1 A 59 59 HIS CB C 54 28.953 30.834 -1.881 2
1 716 . 1 1 A 59 59 HIS C C 54 174.248 174.254 -0.006 2
1 717 . 1 1 A 60 60 HIS N N 55 119.527 116.241 3.286 2
1 718 . 1 1 A 60 60 HIS H H 55 8.493 8.121 0.372 2
1 719 . 1 1 A 60 60 HIS CA C 55 55.589 54.743 0.846 2
1 720 . 1 1 A 60 60 HIS HA H 55 4.553 4.184 0.369 2
1 721 . 1 1 A 60 60 HIS CB C 55 28.913 30.489 -1.576 2
1 724 . 1 1 A 60 60 HIS C C 55 174.759 174.363 0.395 2
1 725 . 1 1 A 61 61 GLY N N 56 110.215 107.880 2.335 2
1 726 . 1 1 A 61 61 GLY H H 56 8.604 7.674 0.930 2
1 727 . 1 1 A 61 61 GLY CA C 56 44.977 45.337 -0.360 2
1 728 . 1 1 A 61 61 GLY HA2 H 56 3.958 3.636 0.322 2
1 729 . 1 1 A 61 61 GLY HA3 H 56 3.833 3.707 0.126 2
1 730 . 1 1 A 61 61 GLY C C 56 173.752 174.464 -0.712 2
1 731 . 1 1 A 62 62 TRP N N 57 120.700 118.822 1.878 2
1 732 . 1 1 A 62 62 TRP H H 57 8.175 7.294 0.881 2
1 733 . 1 1 A 62 62 TRP CA C 57 56.935 58.014 -1.079 2
1 734 . 1 1 A 62 62 TRP HA H 57 4.658 4.764 -0.106 2
1 735 . 1 1 A 62 62 TRP CB C 57 29.018 30.970 -1.952 2
1 750 . 1 1 A 62 62 TRP C C 57 176.442 177.351 -0.909 2
1 751 . 1 1 A 63 63 GLY N N 58 110.195 108.682 1.513 2
1 752 . 1 1 A 63 63 GLY H H 58 8.452 8.450 0.002 2
1 753 . 1 1 A 63 63 GLY CA C 58 45.052 46.129 -1.077 2
1 754 . 1 1 A 63 63 GLY HA2 H 58 3.925 4.016 -0.091 2
1 755 . 1 1 A 63 63 GLY HA3 H 58 3.833 4.079 -0.246 2
1 756 . 1 1 A 63 63 GLY C C 58 173.738 174.630 -0.892 2
1 757 . 1 1 A 64 64 ARG N N 59 120.374 119.826 0.548 2
1 758 . 1 1 A 64 64 ARG H H 59 8.136 8.287 -0.151 2
1 759 . 1 1 A 64 64 ARG CA C 59 55.779 56.873 -1.094 2
1 760 . 1 1 A 64 64 ARG HA H 59 4.287 4.269 0.018 2
1 761 . 1 1 A 64 64 ARG CB C 59 30.244 29.784 0.460 2
1 772 . 1 1 A 64 64 ARG C C 59 176.269 176.038 0.231 2
1 773 . 1 1 A 65 65 LYS N N 60 121.590 118.069 3.521 2
1 774 . 1 1 A 65 65 LYS H H 60 8.483 8.064 0.419 2
1 775 . 1 1 A 65 65 LYS CA C 60 56.435 56.442 -0.007 2
1 776 . 1 1 A 65 65 LYS HA H 60 4.226 4.358 -0.132 2
1 777 . 1 1 A 65 65 LYS CB C 60 32.259 32.786 -0.527 2
1 783 . 1 1 A 65 65 LYS C C 60 176.075 176.751 -0.676 2
1 784 . 1 1 A 66 66 ASN N N 61 118.654 118.061 0.593 2
1 785 . 1 1 A 66 66 ASN H H 61 8.413 8.294 0.119 2
1 786 . 1 1 A 66 66 ASN CA C 61 53.042 53.342 -0.299 2
1 787 . 1 1 A 66 66 ASN HA H 61 4.651 4.682 -0.031 2
1 788 . 1 1 A 66 66 ASN CB C 61 38.348 38.104 0.244 2
1 795 . 1 1 A 66 66 ASN C C 61 174.530 175.362 -0.832 2
1 796 . 1 1 A 67 67 SER N N 62 115.494 113.152 2.342 2
1 797 . 1 1 A 67 67 SER H H 62 8.289 8.157 0.132 2
1 798 . 1 1 A 67 67 SER CA C 62 58.090 59.170 -1.080 2
1 799 . 1 1 A 67 67 SER HA H 62 4.294 4.329 -0.035 2
1 800 . 1 1 A 67 67 SER CB C 62 63.205 61.709 1.496 2
1 803 . 1 1 A 67 67 SER C C 62 173.894 174.334 -0.440 2
1 804 . 1 1 A 68 68 LEU N N 63 123.552 117.490 6.062 2
1 805 . 1 1 A 68 68 LEU H H 63 8.063 7.890 0.173 2
1 806 . 1 1 A 68 68 LEU CA C 63 54.124 54.017 0.107 2
1 807 . 1 1 A 68 68 LEU HA H 63 4.495 4.625 -0.130 2
1 808 . 1 1 A 68 68 LEU CB C 63 42.447 42.667 -0.220 2
1 821 . 1 1 A 68 68 LEU C C 63 176.587 175.776 0.811 2
1 822 . 1 1 A 69 69 THR N N 64 112.637 111.994 0.643 2
1 823 . 1 1 A 69 69 THR H H 64 7.797 7.474 0.323 2
1 824 . 1 1 A 69 69 THR CA C 64 60.021 59.938 0.083 2
1 825 . 1 1 A 69 69 THR HA H 64 4.490 4.763 -0.273 2
1 826 . 1 1 A 69 69 THR CB C 64 70.896 71.861 -0.965 2
1 832 . 1 1 A 69 69 THR C C 64 174.998 175.366 -0.368 2
1 833 . 1 1 A 70 70 LYS N N 65 120.128 121.681 -1.553 2
1 834 . 1 1 A 70 70 LYS H H 65 9.059 9.021 0.038 2
1 835 . 1 1 A 70 70 LYS CA C 65 59.374 59.312 0.062 2
1 836 . 1 1 A 70 70 LYS HA H 65 3.941 3.978 -0.037 2
1 837 . 1 1 A 70 70 LYS CB C 65 31.830 31.932 -0.102 2
1 843 . 1 1 A 70 70 LYS C C 65 177.539 178.579 -1.040 2
1 844 . 1 1 A 71 71 GLU N N 66 117.667 119.891 -2.224 2
1 845 . 1 1 A 71 71 GLU H H 66 8.699 8.525 0.174 2
1 846 . 1 1 A 71 71 GLU CA C 66 60.307 59.194 1.113 2
1 847 . 1 1 A 71 71 GLU HA H 66 3.812 4.062 -0.250 2
1 848 . 1 1 A 71 71 GLU CB C 66 27.903 29.645 -1.742 2
1 855 . 1 1 A 71 71 GLU C C 66 178.499 179.033 -0.534 2
1 856 . 1 1 A 72 72 ALA N N 67 123.914 122.422 1.492 2
1 857 . 1 1 A 72 72 ALA H H 67 7.991 7.466 0.525 2
1 858 . 1 1 A 72 72 ALA CA C 67 54.601 54.909 -0.308 2
1 859 . 1 1 A 72 72 ALA HA H 67 4.116 4.085 0.031 2
1 863 . 1 1 A 72 72 ALA CB C 67 18.288 18.681 -0.393 2
1 864 . 1 1 A 72 72 ALA C C 67 178.721 179.523 -0.802 2
1 865 . 1 1 A 73 73 VAL N N 68 119.435 118.008 1.427 2
1 866 . 1 1 A 73 73 VAL H H 68 8.045 8.030 0.015 2
1 867 . 1 1 A 73 73 VAL CA C 68 66.211 66.596 -0.385 2
1 868 . 1 1 A 73 73 VAL HA H 68 3.470 3.548 -0.078 2
1 869 . 1 1 A 73 73 VAL CB C 68 31.103 31.586 -0.483 2
1 879 . 1 1 A 73 73 VAL C C 68 177.001 178.490 -1.489 2
1 880 . 1 1 A 74 74 ALA N N 69 120.667 121.525 -0.858 2
1 881 . 1 1 A 74 74 ALA H H 69 8.407 8.222 0.185 2
1 882 . 1 1 A 74 74 ALA CA C 69 54.687 55.095 -0.408 2
1 883 . 1 1 A 74 74 ALA HA H 69 3.981 4.098 -0.117 2
1 887 . 1 1 A 74 74 ALA CB C 69 18.048 18.119 -0.070 2
1 888 . 1 1 A 74 74 ALA C C 69 178.865 179.628 -0.763 2
1 889 . 1 1 A 75 75 LYS N N 70 118.628 118.101 0.527 2
1 890 . 1 1 A 75 75 LYS H H 70 7.930 7.917 0.013 2
1 891 . 1 1 A 75 75 LYS CA C 70 58.914 59.949 -1.035 2
1 892 . 1 1 A 75 75 LYS HA H 70 4.105 3.999 0.106 2
1 893 . 1 1 A 75 75 LYS CB C 70 31.806 32.227 -0.421 2
1 903 . 1 1 A 75 75 LYS C C 70 177.409 178.939 -1.530 2
1 904 . 1 1 A 76 76 ILE N N 71 120.231 119.757 0.474 2
1 905 . 1 1 A 76 76 ILE H H 71 7.478 7.812 -0.334 2
1 906 . 1 1 A 76 76 ILE CA C 71 64.835 64.850 -0.015 2
1 907 . 1 1 A 76 76 ILE HA H 71 3.973 3.709 0.264 2
1 908 . 1 1 A 76 76 ILE CB C 71 37.788 37.507 0.281 2
1 921 . 1 1 A 76 76 ILE C C 71 179.734 178.015 1.719 2
1 922 . 1 1 A 77 77 VAL N N 72 122.505 119.869 2.636 2
1 923 . 1 1 A 77 77 VAL H H 72 8.325 7.950 0.375 2
1 924 . 1 1 A 77 77 VAL CA C 72 67.425 66.676 0.749 2
1 925 . 1 1 A 77 77 VAL HA H 72 3.581 3.607 -0.026 2
1 926 . 1 1 A 77 77 VAL CB C 72 30.885 31.524 -0.639 2
1 936 . 1 1 A 77 77 VAL C C 72 176.939 177.799 -0.860 2
1 937 . 1 1 A 78 78 ASP N N 73 120.524 120.418 0.106 2
1 938 . 1 1 A 78 78 ASP H H 73 8.798 8.216 0.582 2
1 939 . 1 1 A 78 78 ASP CA C 73 58.163 57.360 0.803 2
1 940 . 1 1 A 78 78 ASP HA H 73 4.392 4.489 -0.097 2
1 941 . 1 1 A 78 78 ASP CB C 73 41.459 41.011 0.448 2
1 945 . 1 1 A 78 78 ASP C C 73 178.122 178.506 -0.384 2
1 946 . 1 1 A 79 79 ASP N N 74 119.762 119.710 0.052 2
1 947 . 1 1 A 79 79 ASP H H 74 9.318 8.120 1.198 2
1 948 . 1 1 A 79 79 ASP CA C 74 57.122 57.320 -0.198 2
1 949 . 1 1 A 79 79 ASP HA H 74 4.405 4.352 0.053 2
1 950 . 1 1 A 79 79 ASP CB C 74 39.850 40.701 -0.851 2
1 954 . 1 1 A 79 79 ASP C C 74 178.921 178.775 0.146 2
1 955 . 1 1 A 80 80 THR N N 75 117.347 116.616 0.731 2
1 956 . 1 1 A 80 80 THR H H 75 8.084 8.236 -0.152 2
1 957 . 1 1 A 80 80 THR CA C 75 67.055 66.423 0.632 2
1 958 . 1 1 A 80 80 THR HA H 75 3.846 3.842 0.004 2
1 959 . 1 1 A 80 80 THR CB C 75 67.692 68.123 -0.431 2
1 965 . 1 1 A 80 80 THR C C 75 175.367 175.934 -0.567 2
1 966 . 1 1 A 81 81 TYR N N 76 123.735 121.479 2.256 2
1 967 . 1 1 A 81 81 TYR H H 76 8.830 8.235 0.595 2
1 968 . 1 1 A 81 81 TYR CA C 76 61.712 61.723 -0.011 2
1 969 . 1 1 A 81 81 TYR HA H 76 4.269 4.374 -0.105 2
1 970 . 1 1 A 81 81 TYR CB C 76 38.639 38.834 -0.195 2
1 974 . 1 1 A 81 81 TYR C C 76 176.700 177.723 -1.023 2
1 975 . 1 1 A 82 82 ARG N N 77 118.508 119.189 -0.681 2
1 976 . 1 1 A 82 82 ARG H H 77 8.755 8.646 0.109 2
1 977 . 1 1 A 82 82 ARG CA C 77 58.776 59.193 -0.417 2
1 978 . 1 1 A 82 82 ARG HA H 77 3.892 3.993 -0.101 2
1 979 . 1 1 A 82 82 ARG CB C 77 29.459 30.110 -0.651 2
1 995 . 1 1 A 82 82 ARG C C 77 178.748 178.580 0.168 2
1 996 . 1 1 A 83 83 LYS N N 78 118.075 119.417 -1.342 2
1 997 . 1 1 A 83 83 LYS H H 78 7.696 7.894 -0.198 2
1 998 . 1 1 A 83 83 LYS CA C 78 58.614 59.000 -0.386 2
1 999 . 1 1 A 83 83 LYS HA H 78 4.031 4.112 -0.081 2
1 1000 . 1 1 A 83 83 LYS CB C 78 32.055 31.871 0.184 2
1 1005 . 1 1 A 83 83 LYS C C 78 177.890 178.852 -0.962 2
1 1006 . 1 1 A 84 84 MET N N 79 118.233 119.258 -1.025 2
1 1007 . 1 1 A 84 84 MET H H 79 7.748 8.030 -0.282 2
1 1008 . 1 1 A 84 84 MET CA C 79 57.254 58.315 -1.061 2
1 1009 . 1 1 A 84 84 MET HA H 79 4.189 4.213 -0.024 2
1 1010 . 1 1 A 84 84 MET CB C 79 32.169 32.892 -0.724 2
1 1020 . 1 1 A 84 84 MET C C 79 177.036 177.114 -0.078 2
1 1021 . 1 1 A 85 85 GLN N N 80 117.242 116.237 1.005 2
1 1022 . 1 1 A 85 85 GLN H H 80 7.843 7.673 0.170 2
1 1023 . 1 1 A 85 85 GLN CA C 80 56.500 55.332 1.168 2
1 1024 . 1 1 A 85 85 GLN HA H 80 3.993 4.449 -0.456 2
1 1025 . 1 1 A 85 85 GLN CB C 80 28.124 29.411 -1.287 2
1 1035 . 1 1 A 85 85 GLN C C 80 176.756 175.523 1.233 2
1 1036 . 1 1 A 86 86 ILE N N 81 119.178 118.341 0.837 2
1 1037 . 1 1 A 86 86 ILE H H 81 7.715 7.808 -0.093 2
1 1038 . 1 1 A 86 86 ILE CA C 81 61.995 62.786 -0.791 2
1 1039 . 1 1 A 86 86 ILE HA H 81 3.948 3.955 -0.007 2
1 1040 . 1 1 A 86 86 ILE CB C 81 37.856 36.778 1.078 2
1 1052 . 1 1 A 86 86 ILE C C 81 176.728 175.306 1.422 2
1 1053 . 1 1 A 87 87 GLN N N 82 121.380 121.730 -0.350 2
1 1054 . 1 1 A 87 87 GLN H H 82 8.164 8.149 0.015 2
1 1055 . 1 1 A 87 87 GLN CA C 82 56.075 56.371 -0.296 2
1 1056 . 1 1 A 87 87 GLN HA H 82 4.227 4.289 -0.062 2
1 1057 . 1 1 A 87 87 GLN CB C 82 28.735 29.443 -0.708 2
1 1066 . 1 1 A 87 87 GLN C C 82 175.836 175.680 0.156 2
1 1067 . 1 1 A 88 88 CYS N N 83 118.668 121.367 -2.699 2
1 1068 . 1 1 A 88 88 CYS H H 83 8.238 8.475 -0.237 2
1 1069 . 1 1 A 88 88 CYS CA C 83 58.012 59.423 -1.411 2
1 1070 . 1 1 A 88 88 CYS HA H 83 4.475 4.423 0.052 2
1 1071 . 1 1 A 88 88 CYS CB C 83 27.697 27.387 0.310 2
1 1074 . 1 1 A 88 88 CYS C C 83 173.428 174.195 -0.767 2
1 1075 . 1 1 A 89 89 ALA N N 84 127.014 122.021 4.993 2
1 1076 . 1 1 A 89 89 ALA H H 84 8.249 7.975 0.274 2
1 1077 . 1 1 A 89 89 ALA CA C 84 50.615 52.214 -1.599 2
1 1078 . 1 1 A 89 89 ALA HA H 84 4.562 4.187 0.375 2
1 1082 . 1 1 A 89 89 ALA CB C 84 17.465 18.123 -0.658 2
1 1083 . 1 1 A 89 89 ALA C C 84 175.125 177.792 -2.667 2
1 1085 . 1 1 A 90 90 PRO CA C 85 63.085 63.652 -0.567 2
1 1086 . 1 1 A 90 90 PRO HA H 85 4.386 4.397 -0.011 2
1 1087 . 1 1 A 90 90 PRO CB C 85 31.491 32.056 -0.565 2
1 1095 . 1 1 A 90 90 PRO C C 85 176.381 176.912 -0.531 2
1 1096 . 1 1 A 91 91 ASP N N 86 119.209 118.300 0.909 2
1 1097 . 1 1 A 91 91 ASP H H 86 8.429 8.127 0.302 2
1 1098 . 1 1 A 91 91 ASP CA C 86 53.752 54.917 -1.165 2
1 1099 . 1 1 A 91 91 ASP HA H 86 4.394 4.317 0.077 2
1 1100 . 1 1 A 91 91 ASP CB C 86 40.319 39.255 1.064 2
1 1103 . 1 1 A 91 91 ASP C C 86 176.101 176.161 -0.060 2
1 1104 . 1 1 A 92 92 LEU N N 87 122.571 120.728 1.843 2
1 1105 . 1 1 A 92 92 LEU H H 87 8.208 8.045 0.163 2
1 1106 . 1 1 A 92 92 LEU CA C 87 55.327 57.162 -1.835 2
1 1107 . 1 1 A 92 92 LEU HA H 87 4.205 4.024 0.181 2
1 1108 . 1 1 A 92 92 LEU CB C 87 41.636 41.759 -0.123 2
1 1121 . 1 1 A 92 92 LEU C C 87 177.406 176.639 0.767 2
1 1122 . 1 1 A 93 93 ALA N N 88 123.131 118.999 4.132 2
1 1123 . 1 1 A 93 93 ALA H H 88 8.305 7.835 0.470 2
1 1124 . 1 1 A 93 93 ALA CA C 88 52.823 52.859 -0.036 2
1 1125 . 1 1 A 93 93 ALA HA H 88 4.245 4.140 0.105 2
1 1129 . 1 1 A 93 93 ALA CB C 88 18.496 18.342 0.154 2
1 1130 . 1 1 A 93 93 ALA C C 88 178.033 176.850 1.183 2
1 1131 . 1 1 A 94 94 THR N N 89 112.097 105.250 6.847 2
1 1132 . 1 1 A 94 94 THR H H 89 7.994 8.178 -0.184 2
1 1133 . 1 1 A 94 94 THR CA C 89 61.892 62.965 -1.073 2
1 1134 . 1 1 A 94 94 THR HA H 89 4.247 4.012 0.235 2
1 1135 . 1 1 A 94 94 THR CB C 89 69.076 67.292 1.784 2
1 1141 . 1 1 A 94 94 THR C C 89 174.478 174.115 0.363 2
1 1142 . 1 1 A 95 95 ARG N N 90 122.704 118.185 4.519 2
1 1143 . 1 1 A 95 95 ARG H H 90 8.211 8.406 -0.195 2
1 1144 . 1 1 A 95 95 ARG CA C 90 55.803 56.721 -0.918 2
1 1145 . 1 1 A 95 95 ARG HA H 90 4.336 4.151 0.185 2
1 1146 . 1 1 A 95 95 ARG CB C 90 30.263 28.350 1.913 2
1 1157 . 1 1 A 95 95 ARG C C 90 175.958 175.667 0.291 2
1 1158 . 1 1 A 96 96 SER N N 91 116.390 114.087 2.303 2
1 1159 . 1 1 A 96 96 SER H H 91 8.365 8.028 0.337 2
1 1160 . 1 1 A 96 96 SER CA C 91 58.011 58.677 -0.666 2
1 1161 . 1 1 A 96 96 SER HA H 91 4.383 4.567 -0.184 2
1 1162 . 1 1 A 96 96 SER CB C 91 63.261 63.170 0.091 2
1 1165 . 1 1 A 96 96 SER C C 91 174.016 174.797 -0.780 2
1 1166 . 1 1 A 97 97 HIS N N 92 120.507 120.433 0.074 2
1 1167 . 1 1 A 97 97 HIS H H 92 8.541 8.180 0.361 2
1 1168 . 1 1 A 97 97 HIS CA C 92 55.068 56.625 -1.557 2
1 1169 . 1 1 A 97 97 HIS HA H 92 4.707 4.586 0.121 2
1 1170 . 1 1 A 97 97 HIS CB C 92 28.839 30.227 -1.388 2
1 1173 . 1 1 A 97 97 HIS C C 92 174.186 174.796 -0.610 2
1 1174 . 1 1 A 98 98 SER N N 93 116.801 112.390 4.411 2
1 1175 . 1 1 A 98 98 SER H H 93 8.455 7.884 0.571 2
1 1176 . 1 1 A 98 98 SER CA C 93 58.046 57.679 0.367 2
1 1177 . 1 1 A 98 98 SER HA H 93 4.450 4.602 -0.152 2
1 1178 . 1 1 A 98 98 SER CB C 93 63.434 64.325 -0.891 2
1 1181 . 1 1 A 98 98 SER C C 93 174.553 173.689 0.864 2
1 1182 . 1 1 A 99 99 GLY N N 94 111.114 111.777 -0.663 2
1 1183 . 1 1 A 99 99 GLY H H 94 8.597 8.491 0.106 2
1 1184 . 1 1 A 99 99 GLY CA C 94 44.888 45.436 -0.548 2
1 1185 . 1 1 A 99 99 GLY HA2 H 94 3.998 4.107 -0.109 2
1 1186 . 1 1 A 99 99 GLY HA3 H 94 3.998 4.133 -0.135 2
1 1187 . 1 1 A 99 99 GLY C C 94 173.856 174.263 -0.407 2
1 1188 . 1 1 A 100 100 SER N N 95 115.398 115.440 -0.042 2
1 1189 . 1 1 A 100 100 SER H H 95 8.311 8.357 -0.046 2
1 1190 . 1 1 A 100 100 SER CA C 95 57.909 58.097 -0.188 2
1 1191 . 1 1 A 100 100 SER HA H 95 4.422 4.641 -0.219 2
1 1192 . 1 1 A 100 100 SER CB C 95 63.377 63.853 -0.476 2
1 1195 . 1 1 A 100 100 SER C C 95 173.695 174.147 -0.452 2
1 1196 . 1 1 A 101 101 ASP N N 96 121.810 120.165 1.645 2
1 1197 . 1 1 A 101 101 ASP H H 96 8.380 8.330 0.050 2
1 1198 . 1 1 A 101 101 ASP CA C 96 53.797 54.776 -0.979 2
1 1199 . 1 1 A 101 101 ASP HA H 96 4.546 4.675 -0.129 2
1 1200 . 1 1 A 101 101 ASP CB C 96 40.440 41.341 -0.901 2
1 1203 . 1 1 A 101 101 ASP C C 96 175.547 176.459 -0.912 2
1 1204 . 1 1 A 102 102 PHE N N 97 120.706 117.258 3.448 2
1 1205 . 1 1 A 102 102 PHE H H 97 8.249 8.122 0.127 2
1 1206 . 1 1 A 102 102 PHE CA C 97 57.444 58.040 -0.596 2
1 1207 . 1 1 A 102 102 PHE HA H 97 4.546 4.509 0.037 2
1 1208 . 1 1 A 102 102 PHE CB C 97 38.772 38.959 -0.187 2
1 1214 . 1 1 A 102 102 PHE C C 97 175.312 175.490 -0.178 2
1 1215 . 1 1 A 103 103 SER N N 98 116.992 113.795 3.197 2
1 1216 . 1 1 A 103 103 SER H H 98 8.167 8.054 0.113 2
1 1217 . 1 1 A 103 103 SER CA C 98 57.983 57.927 0.056 2
1 1218 . 1 1 A 103 103 SER HA H 98 4.314 4.629 -0.315 2
1 1219 . 1 1 A 103 103 SER CB C 98 63.384 63.097 0.287 2
1 1222 . 1 1 A 103 103 SER C C 98 173.286 173.629 -0.343 2
1 1223 . 1 1 A 104 104 PHE N N 99 122.000 122.936 -0.936 2
1 1224 . 1 1 A 104 104 PHE H H 99 8.170 8.514 -0.344 2
1 1225 . 1 1 A 104 104 PHE CA C 99 57.354 57.090 0.264 2
1 1226 . 1 1 A 104 104 PHE HA H 99 4.545 4.521 0.024 2
1 1227 . 1 1 A 104 104 PHE CB C 99 39.045 37.869 1.176 2
1 1233 . 1 1 A 104 104 PHE C C 99 174.621 174.806 -0.185 2
1 1234 . 1 1 A 105 105 ARG N N 100 124.796 122.998 1.798 2
1 1235 . 1 1 A 105 105 ARG H H 100 8.101 7.939 0.162 2
1 1236 . 1 1 A 105 105 ARG CA C 100 52.919 54.493 -1.574 2
1 1237 . 1 1 A 105 105 ARG HA H 100 4.542 4.454 0.088 2
1 1238 . 1 1 A 105 105 ARG CB C 100 29.973 30.435 -0.462 2
1 1247 . 1 1 A 105 105 ARG C C 100 172.924 174.582 -1.658 2
1 1249 . 1 1 A 106 106 PRO CA C 101 62.366 62.362 0.004 2
1 1250 . 1 1 A 106 106 PRO HA H 101 4.349 4.614 -0.265 2
1 1251 . 1 1 A 106 106 PRO CB C 101 31.609 32.919 -1.310 2
1 1259 . 1 1 A 106 106 PRO C C 101 176.395 176.378 0.017 2
1 1260 . 1 1 A 107 107 ILE N N 102 121.380 121.291 0.089 2
1 1261 . 1 1 A 107 107 ILE H H 102 8.350 8.460 -0.110 2
1 1262 . 1 1 A 107 107 ILE CA C 102 60.925 60.445 0.480 2
1 1263 . 1 1 A 107 107 ILE HA H 102 4.050 4.573 -0.523 2
1 1264 . 1 1 A 107 107 ILE CB C 102 38.165 38.646 -0.481 2
1 1277 . 1 1 A 107 107 ILE C C 102 175.990 176.029 -0.039 2
1 1278 . 1 1 A 108 108 GLU N N 103 124.836 121.789 3.047 2
1 1279 . 1 1 A 108 108 GLU H H 103 8.578 8.124 0.454 2
1 1280 . 1 1 A 108 108 GLU CA C 103 55.915 58.662 -2.747 2
1 1281 . 1 1 A 108 108 GLU HA H 103 4.279 3.945 0.334 2
1 1282 . 1 1 A 108 108 GLU CB C 103 29.902 28.961 0.941 2
1 1288 . 1 1 A 108 108 GLU C C 103 175.678 176.330 -0.652 2
1 1289 . 1 1 A 109 109 GLU N N 104 122.847 117.891 4.956 2
1 1290 . 1 1 A 109 109 GLU H H 104 8.459 8.024 0.435 2
1 1291 . 1 1 A 109 109 GLU CA C 104 55.845 56.377 -0.532 2
1 1292 . 1 1 A 109 109 GLU HA H 104 4.273 4.258 0.015 2
1 1293 . 1 1 A 109 109 GLU CB C 104 29.990 28.881 1.109 2
1 1299 . 1 1 A 109 109 GLU C C 104 174.661 175.763 -1.102 2
2 3 . 1 1 A 2 2 SER N N -4 115.528 116.232 -0.704 2
2 4 . 1 1 A 2 2 SER H H -4 8.751 8.300 0.451 2
2 5 . 1 1 A 2 2 SER CA C -4 57.687 58.427 -0.740 2
2 6 . 1 1 A 2 2 SER HA H -4 4.451 4.494 -0.043 2
2 7 . 1 1 A 2 2 SER CB C -4 63.389 64.029 -0.640 2
2 8 . 1 1 A 2 2 SER C C -4 173.913 173.801 0.112 2
2 9 . 1 1 A 3 3 HIS N N -3 120.998 116.053 4.945 2
2 10 . 1 1 A 3 3 HIS H H -3 8.769 7.950 0.819 2
2 11 . 1 1 A 3 3 HIS CA C -3 55.010 55.635 -0.625 2
2 12 . 1 1 A 3 3 HIS HA H -3 4.707 4.573 0.134 2
2 13 . 1 1 A 3 3 HIS CB C -3 28.916 28.604 0.312 2
2 16 . 1 1 A 3 3 HIS C C -3 174.207 174.337 -0.130 2
2 17 . 1 1 A 4 4 MET N N -2 122.227 118.946 3.281 2
2 18 . 1 1 A 4 4 MET H H -2 8.518 8.148 0.370 2
2 19 . 1 1 A 4 4 MET CA C -2 55.014 55.200 -0.186 2
2 20 . 1 1 A 4 4 MET HA H -2 4.418 4.641 -0.223 2
2 21 . 1 1 A 4 4 MET CB C -2 32.678 33.085 -0.407 2
2 31 . 1 1 A 4 4 MET C C -2 175.481 175.131 0.350 2
2 49 . 1 1 A 7 7 ALA N N 2 124.549 122.956 1.594 2
2 50 . 1 1 A 7 7 ALA H H 2 8.453 8.141 0.312 2
2 51 . 1 1 A 7 7 ALA CA C 2 53.221 54.706 -1.485 2
2 52 . 1 1 A 7 7 ALA HA H 2 4.194 4.085 0.109 2
2 56 . 1 1 A 7 7 ALA CB C 2 18.431 18.230 0.201 2
2 57 . 1 1 A 7 7 ALA C C 2 178.162 179.324 -1.162 2
2 58 . 1 1 A 8 8 ASP N N 3 118.618 118.526 0.092 2
2 59 . 1 1 A 8 8 ASP H H 3 8.064 7.898 0.166 2
2 60 . 1 1 A 8 8 ASP CA C 3 54.124 56.957 -2.833 2
2 61 . 1 1 A 8 8 ASP HA H 3 4.539 4.390 0.149 2
2 62 . 1 1 A 8 8 ASP CB C 3 40.341 40.883 -0.542 2
2 65 . 1 1 A 8 8 ASP C C 3 176.694 178.368 -1.674 2
2 66 . 1 1 A 9 9 LEU N N 4 123.427 120.721 2.706 2
2 67 . 1 1 A 9 9 LEU H H 4 8.202 7.807 0.395 2
2 68 . 1 1 A 9 9 LEU CA C 4 57.495 57.912 -0.417 2
2 69 . 1 1 A 9 9 LEU HA H 4 4.086 4.034 0.052 2
2 70 . 1 1 A 9 9 LEU CB C 4 41.905 41.646 0.259 2
2 82 . 1 1 A 9 9 LEU C C 4 178.839 178.679 0.160 2
2 83 . 1 1 A 10 10 VAL N N 5 119.385 119.217 0.168 2
2 84 . 1 1 A 10 10 VAL H H 5 8.186 8.380 -0.194 2
2 85 . 1 1 A 10 10 VAL CA C 5 66.585 66.688 -0.103 2
2 86 . 1 1 A 10 10 VAL HA H 5 3.420 3.508 -0.088 2
2 87 . 1 1 A 10 10 VAL CB C 5 31.177 31.554 -0.377 2
2 97 . 1 1 A 10 10 VAL C C 5 177.439 177.917 -0.478 2
2 98 . 1 1 A 11 11 SER N N 6 115.027 115.725 -0.699 2
2 99 . 1 1 A 11 11 SER H H 6 8.252 8.071 0.181 2
2 100 . 1 1 A 11 11 SER CA C 6 61.152 61.934 -0.782 2
2 101 . 1 1 A 11 11 SER HA H 6 4.055 4.082 -0.027 2
2 102 . 1 1 A 11 11 SER CB C 6 62.161 62.764 -0.603 2
2 105 . 1 1 A 11 11 SER C C 6 176.036 176.698 -0.662 2
2 106 . 1 1 A 12 12 SER N N 7 115.144 116.158 -1.014 2
2 107 . 1 1 A 12 12 SER H H 7 8.053 8.069 -0.016 2
2 108 . 1 1 A 12 12 SER CA C 7 60.168 61.575 -1.407 2
2 109 . 1 1 A 12 12 SER HA H 7 4.284 4.096 0.188 2
2 110 . 1 1 A 12 12 SER CB C 7 62.706 62.864 -0.158 2
2 113 . 1 1 A 12 12 SER C C 7 176.540 176.844 -0.304 2
2 114 . 1 1 A 13 13 CYS N N 8 118.211 119.227 -1.016 2
2 115 . 1 1 A 13 13 CYS H H 8 7.919 8.514 -0.595 2
2 116 . 1 1 A 13 13 CYS CA C 8 63.651 63.970 -0.319 2
2 117 . 1 1 A 13 13 CYS HA H 8 4.026 4.109 -0.083 2
2 118 . 1 1 A 13 13 CYS CB C 8 26.641 27.000 -0.359 2
2 121 . 1 1 A 13 13 CYS C C 8 175.645 177.055 -1.410 2
2 122 . 1 1 A 14 14 LYS N N 9 120.074 121.413 -1.339 2
2 123 . 1 1 A 14 14 LYS H H 9 8.632 8.131 0.501 2
2 124 . 1 1 A 14 14 LYS CA C 9 60.441 59.599 0.842 2
2 125 . 1 1 A 14 14 LYS HA H 9 3.672 3.999 -0.327 2
2 126 . 1 1 A 14 14 LYS CB C 9 31.685 32.070 -0.385 2
2 138 . 1 1 A 14 14 LYS C C 9 177.615 177.918 -0.303 2
2 139 . 1 1 A 15 15 ASP N N 10 117.613 119.537 -1.924 2
2 140 . 1 1 A 15 15 ASP H H 10 7.732 8.142 -0.410 2
2 141 . 1 1 A 15 15 ASP CA C 10 56.175 57.417 -1.242 2
2 142 . 1 1 A 15 15 ASP HA H 10 4.307 4.244 0.063 2
2 143 . 1 1 A 15 15 ASP CB C 10 40.056 41.654 -1.598 2
2 146 . 1 1 A 15 15 ASP C C 10 177.650 178.609 -0.959 2
2 147 . 1 1 A 16 16 LYS N N 11 117.878 118.953 -1.075 2
2 148 . 1 1 A 16 16 LYS H H 11 7.254 7.801 -0.547 2
2 149 . 1 1 A 16 16 LYS CA C 11 58.962 59.140 -0.178 2
2 150 . 1 1 A 16 16 LYS HA H 11 3.645 3.777 -0.132 2
2 151 . 1 1 A 16 16 LYS CB C 11 32.951 32.113 0.838 2
2 160 . 1 1 A 16 16 LYS C C 11 177.263 178.374 -1.111 2
2 161 . 1 1 A 17 17 LEU N N 12 115.652 121.628 -5.976 2
2 162 . 1 1 A 17 17 LEU H H 12 8.138 8.418 -0.280 2
2 163 . 1 1 A 17 17 LEU CA C 12 56.726 58.060 -1.334 2
2 164 . 1 1 A 17 17 LEU HA H 12 3.579 4.191 -0.612 2
2 165 . 1 1 A 17 17 LEU CB C 12 41.959 41.344 0.615 2
2 176 . 1 1 A 17 17 LEU C C 12 177.485 178.506 -1.021 2
2 177 . 1 1 A 18 18 ALA N N 13 116.044 120.836 -4.792 2
2 178 . 1 1 A 18 18 ALA H H 13 7.080 8.553 -1.473 2
2 179 . 1 1 A 18 18 ALA CA C 13 53.389 54.700 -1.311 2
2 180 . 1 1 A 18 18 ALA HA H 13 3.963 4.108 -0.145 2
2 184 . 1 1 A 18 18 ALA CB C 13 18.161 18.584 -0.423 2
2 185 . 1 1 A 18 18 ALA C C 13 178.207 179.616 -1.409 2
2 186 . 1 1 A 19 19 TYR N N 14 115.556 119.405 -3.849 2
2 187 . 1 1 A 19 19 TYR H H 14 7.675 7.651 0.024 2
2 188 . 1 1 A 19 19 TYR CA C 14 58.647 59.846 -1.199 2
2 189 . 1 1 A 19 19 TYR HA H 14 4.304 4.180 0.124 2
2 190 . 1 1 A 19 19 TYR CB C 14 38.609 39.076 -0.467 2
2 199 . 1 1 A 19 19 TYR C C 14 175.911 175.849 0.062 2
2 200 . 1 1 A 20 20 PHE N N 15 118.275 119.200 -0.925 2
2 201 . 1 1 A 20 20 PHE H H 15 7.406 7.720 -0.314 2
2 202 . 1 1 A 20 20 PHE CA C 15 56.615 56.999 -0.384 2
2 203 . 1 1 A 20 20 PHE HA H 15 4.649 4.766 -0.117 2
2 204 . 1 1 A 20 20 PHE CB C 15 38.750 40.464 -1.714 2
2 215 . 1 1 A 20 20 PHE C C 15 176.160 175.788 0.372 2
2 216 . 1 1 A 21 21 ARG N N 16 119.140 122.644 -3.504 2
2 217 . 1 1 A 21 21 ARG H H 16 8.714 8.513 0.201 2
2 218 . 1 1 A 21 21 ARG CA C 16 54.349 56.355 -2.006 2
2 219 . 1 1 A 21 21 ARG HA H 16 4.751 4.296 0.455 2
2 220 . 1 1 A 21 21 ARG CB C 16 30.097 31.300 -1.203 2
2 236 . 1 1 A 21 21 ARG C C 16 177.095 177.724 -0.629 2
2 237 . 1 1 A 22 22 ILE N N 17 120.734 123.162 -2.428 2
2 238 . 1 1 A 22 22 ILE H H 17 8.708 8.797 -0.089 2
2 239 . 1 1 A 22 22 ILE CA C 17 65.145 64.729 0.416 2
2 240 . 1 1 A 22 22 ILE HA H 17 3.720 3.723 -0.003 2
2 241 . 1 1 A 22 22 ILE CB C 17 36.857 37.611 -0.754 2
2 254 . 1 1 A 22 22 ILE C C 17 176.745 177.966 -1.221 2
2 255 . 1 1 A 23 23 LYS N N 18 118.184 121.585 -3.401 2
2 256 . 1 1 A 23 23 LYS H H 18 8.267 8.232 0.035 2
2 257 . 1 1 A 23 23 LYS CA C 18 59.829 59.928 -0.099 2
2 258 . 1 1 A 23 23 LYS HA H 18 3.897 3.899 -0.002 2
2 259 . 1 1 A 23 23 LYS CB C 18 32.268 32.323 -0.055 2
2 271 . 1 1 A 23 23 LYS C C 18 178.159 178.883 -0.724 2
2 272 . 1 1 A 24 24 GLU N N 19 117.654 119.394 -1.740 2
2 273 . 1 1 A 24 24 GLU H H 19 7.198 7.989 -0.790 2
2 274 . 1 1 A 24 24 GLU CA C 19 60.612 59.144 1.468 2
2 275 . 1 1 A 24 24 GLU HA H 19 4.030 3.998 0.032 2
2 276 . 1 1 A 24 24 GLU CB C 19 28.859 29.457 -0.598 2
2 282 . 1 1 A 24 24 GLU C C 19 178.521 179.152 -0.631 2
2 283 . 1 1 A 25 25 LEU N N 20 119.236 120.184 -0.948 2
2 284 . 1 1 A 25 25 LEU H H 20 7.980 8.239 -0.259 2
2 285 . 1 1 A 25 25 LEU CA C 20 57.676 57.920 -0.244 2
2 286 . 1 1 A 25 25 LEU HA H 20 3.904 3.995 -0.091 2
2 287 . 1 1 A 25 25 LEU CB C 20 42.218 41.211 1.007 2
2 294 . 1 1 A 25 25 LEU C C 20 177.990 179.224 -1.234 2
2 295 . 1 1 A 26 26 LYS N N 21 117.457 120.413 -2.956 2
2 296 . 1 1 A 26 26 LYS H H 21 8.770 8.491 0.279 2
2 297 . 1 1 A 26 26 LYS CA C 21 60.660 59.878 0.782 2
2 298 . 1 1 A 26 26 LYS HA H 21 3.787 3.935 -0.148 2
2 299 . 1 1 A 26 26 LYS CB C 21 31.876 32.100 -0.224 2
2 300 . 1 1 A 26 26 LYS C C 21 177.625 178.702 -1.077 2
2 301 . 1 1 A 27 27 ASP N N 22 119.023 119.723 -0.700 2
2 302 . 1 1 A 27 27 ASP H H 22 7.671 8.107 -0.435 2
2 303 . 1 1 A 27 27 ASP CA C 22 56.974 57.232 -0.258 2
2 304 . 1 1 A 27 27 ASP HA H 22 4.392 4.451 -0.059 2
2 305 . 1 1 A 27 27 ASP CB C 22 40.250 40.830 -0.580 2
2 308 . 1 1 A 27 27 ASP C C 22 180.796 178.892 1.904 2
2 309 . 1 1 A 28 28 ILE N N 23 119.318 120.095 -0.777 2
2 310 . 1 1 A 28 28 ILE H H 23 8.039 7.807 0.232 2
2 311 . 1 1 A 28 28 ILE CA C 23 65.365 65.532 -0.167 2
2 312 . 1 1 A 28 28 ILE HA H 23 3.587 3.647 -0.060 2
2 313 . 1 1 A 28 28 ILE CB C 23 37.408 38.115 -0.707 2
2 326 . 1 1 A 28 28 ILE C C 23 177.265 178.351 -1.086 2
2 327 . 1 1 A 29 29 LEU N N 24 120.356 120.762 -0.406 2
2 328 . 1 1 A 29 29 LEU H H 24 8.220 8.353 -0.133 2
2 329 . 1 1 A 29 29 LEU CA C 24 58.562 58.177 0.385 2
2 330 . 1 1 A 29 29 LEU HA H 24 3.806 3.984 -0.178 2
2 331 . 1 1 A 29 29 LEU CB C 24 39.477 41.392 -1.915 2
2 339 . 1 1 A 29 29 LEU C C 24 178.572 178.447 0.125 2
2 340 . 1 1 A 30 30 ASN N N 25 117.446 117.261 0.184 2
2 341 . 1 1 A 30 30 ASN H H 25 8.688 8.511 0.177 2
2 342 . 1 1 A 30 30 ASN CA C 25 56.092 56.824 -0.732 2
2 343 . 1 1 A 30 30 ASN HA H 25 4.493 4.370 0.123 2
2 344 . 1 1 A 30 30 ASN CB C 25 38.809 38.861 -0.052 2
2 351 . 1 1 A 30 30 ASN C C 25 178.884 177.795 1.089 2
2 352 . 1 1 A 31 31 GLN N N 26 119.946 118.009 1.937 2
2 353 . 1 1 A 31 31 GLN H H 26 8.184 7.789 0.395 2
2 354 . 1 1 A 31 31 GLN CA C 26 58.786 58.549 0.237 2
2 355 . 1 1 A 31 31 GLN HA H 26 4.041 4.089 -0.048 2
2 356 . 1 1 A 31 31 GLN CB C 26 29.089 28.300 0.789 2
2 366 . 1 1 A 31 31 GLN C C 26 177.656 178.846 -1.190 2
2 367 . 1 1 A 32 32 LEU N N 27 116.979 117.648 -0.669 2
2 368 . 1 1 A 32 32 LEU H H 27 7.893 7.699 0.194 2
2 369 . 1 1 A 32 32 LEU CA C 27 54.545 55.681 -1.136 2
2 370 . 1 1 A 32 32 LEU HA H 27 4.227 4.247 -0.020 2
2 371 . 1 1 A 32 32 LEU CB C 27 42.063 42.657 -0.594 2
2 382 . 1 1 A 32 32 LEU C C 27 175.733 177.166 -1.433 2
2 383 . 1 1 A 33 33 GLY N N 28 108.299 107.301 0.998 2
2 384 . 1 1 A 33 33 GLY H H 28 7.834 7.889 -0.055 2
2 385 . 1 1 A 33 33 GLY CA C 28 45.707 45.636 0.071 2
2 386 . 1 1 A 33 33 GLY HA2 H 28 3.952 3.986 -0.034 2
2 387 . 1 1 A 33 33 GLY HA3 H 28 3.952 3.987 -0.035 2
2 388 . 1 1 A 33 33 GLY C C 28 174.317 174.602 -0.285 2
2 389 . 1 1 A 34 34 LEU N N 29 120.833 118.700 2.133 2
2 390 . 1 1 A 34 34 LEU H H 29 7.986 7.897 0.089 2
2 391 . 1 1 A 34 34 LEU CA C 29 51.558 53.475 -1.917 2
2 392 . 1 1 A 34 34 LEU HA H 29 4.744 4.502 0.242 2
2 393 . 1 1 A 34 34 LEU CB C 29 43.525 41.753 1.772 2
2 405 . 1 1 A 35 35 PRO CA C 30 62.707 62.467 0.240 2
2 406 . 1 1 A 35 35 PRO HA H 30 4.351 4.577 -0.226 2
2 407 . 1 1 A 35 35 PRO CB C 30 31.919 31.619 0.300 2
2 415 . 1 1 A 35 35 PRO C C 30 177.488 176.475 1.013 2
2 416 . 1 1 A 36 36 LYS N N 31 117.590 120.606 -3.016 2
2 417 . 1 1 A 36 36 LYS H H 31 8.380 8.625 -0.245 2
2 418 . 1 1 A 36 36 LYS CA C 31 55.660 57.364 -1.704 2
2 419 . 1 1 A 36 36 LYS HA H 31 4.286 4.232 0.054 2
2 420 . 1 1 A 36 36 LYS CB C 31 33.239 32.370 0.869 2
2 430 . 1 1 A 36 36 LYS C C 31 174.384 175.826 -1.442 2
2 431 . 1 1 A 37 37 GLN N N 32 118.260 117.564 0.696 2
2 432 . 1 1 A 37 37 GLN H H 32 7.698 7.897 -0.199 2
2 433 . 1 1 A 37 37 GLN CA C 32 55.550 54.750 0.800 2
2 434 . 1 1 A 37 37 GLN HA H 32 4.376 4.604 -0.228 2
2 435 . 1 1 A 37 37 GLN CB C 32 28.221 30.604 -2.382 2
2 445 . 1 1 A 37 37 GLN C C 32 175.222 175.149 0.073 2
2 446 . 1 1 A 38 38 GLY N N 33 109.855 107.860 1.995 2
2 447 . 1 1 A 38 38 GLY H H 33 8.449 8.431 0.018 2
2 448 . 1 1 A 38 38 GLY CA C 33 43.235 45.041 -1.806 2
2 449 . 1 1 A 38 38 GLY HA2 H 33 4.566 4.136 0.430 2
2 450 . 1 1 A 38 38 GLY HA3 H 33 3.789 4.137 -0.348 2
2 451 . 1 1 A 38 38 GLY C C 33 173.603 173.400 0.203 2
2 452 . 1 1 A 39 39 LYS N N 34 117.627 121.637 -4.010 2
2 453 . 1 1 A 39 39 LYS H H 34 8.649 8.258 0.391 2
2 454 . 1 1 A 39 39 LYS CA C 34 54.563 55.255 -0.692 2
2 455 . 1 1 A 39 39 LYS HA H 34 4.394 4.495 -0.101 2
2 456 . 1 1 A 39 39 LYS CB C 34 32.892 33.605 -0.713 2
2 468 . 1 1 A 39 39 LYS C C 34 176.803 177.955 -1.152 2
2 469 . 1 1 A 40 40 LYS N N 35 121.705 121.225 0.480 2
2 470 . 1 1 A 40 40 LYS H H 35 8.920 8.798 0.122 2
2 471 . 1 1 A 40 40 LYS CA C 35 61.559 59.761 1.798 2
2 472 . 1 1 A 40 40 LYS HA H 35 3.597 3.935 -0.338 2
2 473 . 1 1 A 40 40 LYS CB C 35 31.953 32.195 -0.242 2
2 485 . 1 1 A 40 40 LYS C C 35 177.362 178.288 -0.926 2
2 486 . 1 1 A 41 41 GLN N N 36 114.637 118.674 -4.037 2
2 487 . 1 1 A 41 41 GLN H H 36 9.017 7.884 1.133 2
2 488 . 1 1 A 41 41 GLN CA C 36 57.638 58.811 -1.173 2
2 489 . 1 1 A 41 41 GLN HA H 36 3.719 4.021 -0.302 2
2 490 . 1 1 A 41 41 GLN CB C 36 27.865 28.329 -0.465 2
2 500 . 1 1 A 41 41 GLN C C 36 176.975 178.367 -1.392 2
2 501 . 1 1 A 42 42 ASP N N 37 115.984 120.243 -4.259 2
2 502 . 1 1 A 42 42 ASP H H 37 7.049 8.096 -1.047 2
2 503 . 1 1 A 42 42 ASP CA C 37 56.424 57.395 -0.971 2
2 504 . 1 1 A 42 42 ASP HA H 37 4.303 4.361 -0.058 2
2 505 . 1 1 A 42 42 ASP CB C 37 39.955 40.801 -0.846 2
2 508 . 1 1 A 42 42 ASP C C 37 178.454 178.929 -0.475 2
2 509 . 1 1 A 43 43 LEU N N 38 119.074 120.532 -1.458 2
2 510 . 1 1 A 43 43 LEU H H 38 7.725 8.268 -0.543 2
2 511 . 1 1 A 43 43 LEU CA C 38 57.716 58.009 -0.293 2
2 512 . 1 1 A 43 43 LEU HA H 38 3.794 3.979 -0.185 2
2 513 . 1 1 A 43 43 LEU CB C 38 40.211 42.249 -2.038 2
2 526 . 1 1 A 43 43 LEU C C 38 177.872 179.027 -1.155 2
2 527 . 1 1 A 44 44 ILE N N 39 118.343 118.598 -0.255 2
2 528 . 1 1 A 44 44 ILE H H 39 7.867 8.117 -0.251 2
2 529 . 1 1 A 44 44 ILE CA C 39 66.211 65.633 0.578 2
2 530 . 1 1 A 44 44 ILE HA H 39 3.319 3.510 -0.191 2
2 531 . 1 1 A 44 44 ILE CB C 39 37.985 37.761 0.224 2
2 541 . 1 1 A 44 44 ILE C C 39 177.711 177.780 -0.069 2
2 542 . 1 1 A 45 45 ASP N N 40 118.535 120.496 -1.961 2
2 543 . 1 1 A 45 45 ASP H H 40 8.503 8.424 0.079 2
2 544 . 1 1 A 45 45 ASP CA C 40 56.817 57.324 -0.507 2
2 545 . 1 1 A 45 45 ASP HA H 40 4.256 4.442 -0.186 2
2 546 . 1 1 A 45 45 ASP CB C 40 39.815 41.086 -1.271 2
2 549 . 1 1 A 45 45 ASP C C 40 178.464 178.914 -0.450 2
2 550 . 1 1 A 46 46 ARG N N 41 120.910 120.038 0.872 2
2 551 . 1 1 A 46 46 ARG H H 41 7.717 7.870 -0.153 2
2 552 . 1 1 A 46 46 ARG CA C 41 59.054 59.610 -0.556 2
2 553 . 1 1 A 46 46 ARG HA H 41 3.993 4.063 -0.070 2
2 554 . 1 1 A 46 46 ARG CB C 41 29.778 30.445 -0.667 2
2 563 . 1 1 A 46 46 ARG C C 41 177.565 178.505 -0.940 2
2 564 . 1 1 A 47 47 VAL N N 42 117.438 119.569 -2.131 2
2 565 . 1 1 A 47 47 VAL H H 42 7.445 8.071 -0.626 2
2 566 . 1 1 A 47 47 VAL CA C 42 66.095 66.384 -0.289 2
2 567 . 1 1 A 47 47 VAL HA H 42 3.446 3.671 -0.225 2
2 568 . 1 1 A 47 47 VAL CB C 42 31.113 31.731 -0.618 2
2 578 . 1 1 A 47 47 VAL C C 42 177.710 178.182 -0.472 2
2 579 . 1 1 A 48 48 LEU N N 43 117.085 117.756 -0.671 2
2 580 . 1 1 A 48 48 LEU H H 43 8.466 8.082 0.384 2
2 581 . 1 1 A 48 48 LEU CA C 43 57.406 57.786 -0.380 2
2 582 . 1 1 A 48 48 LEU HA H 43 3.851 3.963 -0.112 2
2 583 . 1 1 A 48 48 LEU CB C 43 40.779 41.149 -0.370 2
2 596 . 1 1 A 48 48 LEU C C 43 179.581 179.559 0.022 2
2 597 . 1 1 A 49 49 ALA N N 44 120.480 121.975 -1.494 2
2 598 . 1 1 A 49 49 ALA H H 44 7.952 8.038 -0.086 2
2 599 . 1 1 A 49 49 ALA CA C 44 53.998 54.755 -0.757 2
2 600 . 1 1 A 49 49 ALA HA H 44 4.104 4.099 0.005 2
2 604 . 1 1 A 49 49 ALA CB C 44 17.685 18.291 -0.606 2
2 605 . 1 1 A 49 49 ALA C C 44 178.926 179.712 -0.786 2
2 606 . 1 1 A 50 50 LEU N N 45 115.306 120.078 -4.772 2
2 607 . 1 1 A 50 50 LEU H H 45 7.428 7.844 -0.416 2
2 608 . 1 1 A 50 50 LEU CA C 45 55.650 57.668 -2.018 2
2 609 . 1 1 A 50 50 LEU HA H 45 4.206 4.086 0.120 2
2 610 . 1 1 A 50 50 LEU CB C 45 41.937 41.909 0.028 2
2 623 . 1 1 A 50 50 LEU C C 45 177.840 178.853 -1.013 2
2 624 . 1 1 A 51 51 LEU N N 46 115.880 118.350 -2.470 2
2 625 . 1 1 A 51 51 LEU H H 46 7.642 8.005 -0.363 2
2 626 . 1 1 A 51 51 LEU CA C 46 54.861 56.453 -1.592 2
2 627 . 1 1 A 51 51 LEU HA H 46 4.260 4.176 0.084 2
2 628 . 1 1 A 51 51 LEU CB C 46 42.228 41.807 0.421 2
2 638 . 1 1 A 51 51 LEU C C 46 176.015 177.720 -1.705 2
2 639 . 1 1 A 52 52 THR N N 47 109.201 112.993 -3.792 2
2 640 . 1 1 A 52 52 THR H H 47 7.515 7.522 -0.007 2
2 641 . 1 1 A 52 52 THR CA C 47 60.972 64.611 -3.639 2
2 642 . 1 1 A 52 52 THR HA H 47 4.345 4.281 0.064 2
2 643 . 1 1 A 52 52 THR CB C 47 69.620 69.416 0.204 2
2 649 . 1 1 A 52 52 THR C C 47 173.733 175.427 -1.694 2
2 650 . 1 1 A 53 53 ASP N N 48 122.188 119.245 2.943 2
2 651 . 1 1 A 53 53 ASP H H 48 8.280 8.293 -0.013 2
2 652 . 1 1 A 53 53 ASP CA C 48 54.205 56.307 -2.102 2
2 653 . 1 1 A 53 53 ASP HA H 48 4.686 4.487 0.199 2
2 654 . 1 1 A 53 53 ASP CB C 48 40.766 40.552 0.214 2
2 658 . 1 1 A 53 53 ASP C C 48 176.000 176.779 -0.779 2
2 659 . 1 1 A 54 54 GLU N N 49 121.966 118.543 3.423 2
2 660 . 1 1 A 54 54 GLU H H 49 8.589 7.781 0.808 2
2 661 . 1 1 A 54 54 GLU CA C 49 56.448 55.718 0.730 2
2 662 . 1 1 A 54 54 GLU HA H 49 4.234 4.658 -0.424 2
2 663 . 1 1 A 54 54 GLU CB C 49 29.642 30.728 -1.086 2
2 669 . 1 1 A 54 54 GLU C C 49 176.522 176.848 -0.326 2
2 670 . 1 1 A 55 55 GLN N N 50 120.727 119.151 1.576 2
2 671 . 1 1 A 55 55 GLN H H 50 8.642 7.905 0.737 2
2 672 . 1 1 A 55 55 GLN CA C 50 56.251 56.333 -0.082 2
2 673 . 1 1 A 55 55 GLN HA H 50 4.217 4.155 0.062 2
2 674 . 1 1 A 55 55 GLN CB C 50 28.555 28.572 -0.017 2
2 684 . 1 1 A 55 55 GLN C C 50 176.519 176.748 -0.229 2
2 685 . 1 1 A 56 56 GLY N N 51 109.357 108.595 0.762 2
2 686 . 1 1 A 56 56 GLY H H 51 8.519 7.910 0.609 2
2 687 . 1 1 A 56 56 GLY CA C 51 45.276 46.141 -0.865 2
2 688 . 1 1 A 56 56 GLY HA2 H 51 3.950 3.912 0.038 2
2 689 . 1 1 A 56 56 GLY HA3 H 51 3.809 3.991 -0.182 2
2 690 . 1 1 A 56 56 GLY C C 51 174.146 175.002 -0.856 2
2 691 . 1 1 A 57 57 GLN N N 52 119.207 118.282 0.925 2
2 692 . 1 1 A 57 57 GLN H H 52 8.263 8.073 0.190 2
2 693 . 1 1 A 57 57 GLN CA C 52 55.572 56.876 -1.304 2
2 694 . 1 1 A 57 57 GLN HA H 52 4.203 4.317 -0.114 2
2 695 . 1 1 A 57 57 GLN CB C 52 28.656 28.858 -0.202 2
2 705 . 1 1 A 57 57 GLN C C 52 175.872 176.510 -0.638 2
2 706 . 1 1 A 58 58 ARG N N 53 120.525 116.522 4.003 2
2 707 . 1 1 A 58 58 ARG H H 53 8.279 8.065 0.214 2
2 708 . 1 1 A 58 58 ARG CA C 53 55.883 56.260 -0.377 2
2 709 . 1 1 A 58 58 ARG HA H 53 4.176 4.460 -0.284 2
2 710 . 1 1 A 58 58 ARG CB C 53 30.031 30.280 -0.249 2
2 721 . 1 1 A 58 58 ARG C C 53 175.820 175.990 -0.170 2
2 722 . 1 1 A 59 59 HIS N N 54 118.905 118.435 0.470 2
2 723 . 1 1 A 59 59 HIS H H 54 8.398 7.995 0.403 2
2 724 . 1 1 A 59 59 HIS CA C 54 54.908 56.651 -1.743 2
2 725 . 1 1 A 59 59 HIS HA H 54 4.548 4.630 -0.082 2
2 726 . 1 1 A 59 59 HIS CB C 54 28.953 30.834 -1.881 2
2 729 . 1 1 A 59 59 HIS C C 54 174.136 174.254 -0.118 2
2 730 . 1 1 A 60 60 HIS N N 55 119.527 116.241 3.286 2
2 731 . 1 1 A 60 60 HIS H H 55 8.493 8.121 0.372 2
2 732 . 1 1 A 60 60 HIS CA C 55 55.274 54.743 0.531 2
2 733 . 1 1 A 60 60 HIS HA H 55 4.552 4.184 0.368 2
2 734 . 1 1 A 60 60 HIS CB C 55 28.913 30.489 -1.576 2
2 737 . 1 1 A 60 60 HIS C C 55 174.595 174.363 0.231 2
2 738 . 1 1 A 61 61 GLY N N 56 110.215 107.880 2.335 2
2 739 . 1 1 A 61 61 GLY H H 56 8.604 7.674 0.930 2
2 740 . 1 1 A 61 61 GLY CA C 56 44.977 45.337 -0.360 2
2 741 . 1 1 A 61 61 GLY HA2 H 56 3.956 3.636 0.320 2
2 742 . 1 1 A 61 61 GLY HA3 H 56 3.831 3.707 0.124 2
2 743 . 1 1 A 61 61 GLY C C 56 173.752 174.464 -0.712 2
2 744 . 1 1 A 62 62 TRP N N 57 120.700 118.822 1.878 2
2 745 . 1 1 A 62 62 TRP H H 57 8.175 7.294 0.881 2
2 746 . 1 1 A 62 62 TRP CA C 57 56.929 58.014 -1.085 2
2 747 . 1 1 A 62 62 TRP HA H 57 4.663 4.764 -0.101 2
2 748 . 1 1 A 62 62 TRP CB C 57 29.142 30.970 -1.828 2
2 763 . 1 1 A 62 62 TRP C C 57 176.442 177.351 -0.909 2
2 764 . 1 1 A 63 63 GLY N N 58 110.195 108.682 1.513 2
2 765 . 1 1 A 63 63 GLY H H 58 8.452 8.450 0.002 2
2 766 . 1 1 A 63 63 GLY CA C 58 45.052 46.129 -1.077 2
2 767 . 1 1 A 63 63 GLY HA2 H 58 3.925 4.016 -0.091 2
2 768 . 1 1 A 63 63 GLY HA3 H 58 3.833 4.079 -0.246 2
2 769 . 1 1 A 63 63 GLY C C 58 173.738 174.630 -0.892 2
2 770 . 1 1 A 64 64 ARG N N 59 120.374 119.826 0.548 2
2 771 . 1 1 A 64 64 ARG H H 59 8.136 8.287 -0.151 2
2 772 . 1 1 A 64 64 ARG CA C 59 55.799 56.873 -1.074 2
2 773 . 1 1 A 64 64 ARG HA H 59 4.287 4.269 0.018 2
2 774 . 1 1 A 64 64 ARG CB C 59 30.371 29.784 0.587 2
2 785 . 1 1 A 64 64 ARG C C 59 176.287 176.038 0.249 2
2 786 . 1 1 A 65 65 LYS N N 60 121.593 118.069 3.524 2
2 787 . 1 1 A 65 65 LYS H H 60 8.483 8.064 0.419 2
2 788 . 1 1 A 65 65 LYS CA C 60 56.353 56.442 -0.089 2
2 789 . 1 1 A 65 65 LYS HA H 60 4.218 4.358 -0.140 2
2 790 . 1 1 A 65 65 LYS CB C 60 32.260 32.786 -0.526 2
2 796 . 1 1 A 65 65 LYS C C 60 176.102 176.751 -0.649 2
2 797 . 1 1 A 66 66 ASN N N 61 118.654 118.061 0.593 2
2 798 . 1 1 A 66 66 ASN H H 61 8.413 8.294 0.119 2
2 799 . 1 1 A 66 66 ASN CA C 61 53.055 53.342 -0.286 2
2 800 . 1 1 A 66 66 ASN HA H 61 4.639 4.682 -0.043 2
2 801 . 1 1 A 66 66 ASN CB C 61 38.385 38.104 0.281 2
2 808 . 1 1 A 66 66 ASN C C 61 174.531 175.362 -0.831 2
2 809 . 1 1 A 67 67 SER N N 62 115.491 113.152 2.339 2
2 810 . 1 1 A 67 67 SER H H 62 8.288 8.157 0.131 2
2 811 . 1 1 A 67 67 SER CA C 62 57.980 59.170 -1.190 2
2 812 . 1 1 A 67 67 SER HA H 62 4.283 4.329 -0.046 2
2 813 . 1 1 A 67 67 SER CB C 62 63.205 61.709 1.496 2
2 816 . 1 1 A 67 67 SER C C 62 173.864 174.334 -0.470 2
2 817 . 1 1 A 68 68 LEU N N 63 123.549 117.490 6.059 2
2 818 . 1 1 A 68 68 LEU H H 63 8.063 7.890 0.173 2
2 819 . 1 1 A 68 68 LEU CA C 63 54.098 54.017 0.081 2
2 820 . 1 1 A 68 68 LEU HA H 63 4.481 4.625 -0.144 2
2 821 . 1 1 A 68 68 LEU CB C 63 42.494 42.667 -0.173 2
2 834 . 1 1 A 68 68 LEU C C 63 176.532 175.776 0.756 2
2 835 . 1 1 A 69 69 THR N N 64 112.637 111.994 0.643 2
2 836 . 1 1 A 69 69 THR H H 64 7.797 7.474 0.323 2
2 837 . 1 1 A 69 69 THR CA C 64 59.915 59.938 -0.023 2
2 838 . 1 1 A 69 69 THR HA H 64 4.490 4.763 -0.273 2
2 839 . 1 1 A 69 69 THR CB C 64 70.852 71.861 -1.009 2
2 845 . 1 1 A 69 69 THR C C 64 174.998 175.366 -0.368 2
2 846 . 1 1 A 70 70 LYS N N 65 120.128 121.681 -1.553 2
2 847 . 1 1 A 70 70 LYS H H 65 9.059 9.021 0.038 2
2 848 . 1 1 A 70 70 LYS CA C 65 59.535 59.312 0.223 2
2 849 . 1 1 A 70 70 LYS HA H 65 3.909 3.978 -0.069 2
2 850 . 1 1 A 70 70 LYS CB C 65 31.890 31.932 -0.042 2
2 858 . 1 1 A 70 70 LYS C C 65 177.536 178.579 -1.043 2
2 859 . 1 1 A 71 71 GLU N N 66 117.667 119.891 -2.224 2
2 860 . 1 1 A 71 71 GLU H H 66 8.699 8.525 0.174 2
2 861 . 1 1 A 71 71 GLU CA C 66 60.199 59.194 1.005 2
2 862 . 1 1 A 71 71 GLU HA H 66 3.806 4.062 -0.256 2
2 863 . 1 1 A 71 71 GLU CB C 66 27.986 29.645 -1.659 2
2 870 . 1 1 A 71 71 GLU C C 66 178.416 179.033 -0.617 2
2 871 . 1 1 A 72 72 ALA N N 67 123.924 122.422 1.502 2
2 872 . 1 1 A 72 72 ALA H H 67 7.992 7.466 0.526 2
2 873 . 1 1 A 72 72 ALA CA C 67 54.477 54.909 -0.432 2
2 874 . 1 1 A 72 72 ALA HA H 67 4.110 4.085 0.025 2
2 878 . 1 1 A 72 72 ALA CB C 67 18.301 18.681 -0.380 2
2 879 . 1 1 A 72 72 ALA C C 67 178.721 179.523 -0.802 2
2 880 . 1 1 A 73 73 VAL N N 68 119.434 118.008 1.426 2
2 881 . 1 1 A 73 73 VAL H H 68 8.044 8.030 0.014 2
2 882 . 1 1 A 73 73 VAL CA C 68 66.089 66.596 -0.507 2
2 883 . 1 1 A 73 73 VAL HA H 68 3.473 3.548 -0.075 2
2 884 . 1 1 A 73 73 VAL CB C 68 31.150 31.586 -0.436 2
2 894 . 1 1 A 73 73 VAL C C 68 177.001 178.490 -1.489 2
2 895 . 1 1 A 74 74 ALA N N 69 120.671 121.525 -0.854 2
2 896 . 1 1 A 74 74 ALA H H 69 8.407 8.222 0.185 2
2 897 . 1 1 A 74 74 ALA CA C 69 54.727 55.095 -0.368 2
2 898 . 1 1 A 74 74 ALA HA H 69 3.968 4.098 -0.131 2
2 902 . 1 1 A 74 74 ALA CB C 69 18.066 18.119 -0.052 2
2 903 . 1 1 A 74 74 ALA C C 69 178.820 179.628 -0.808 2
2 904 . 1 1 A 75 75 LYS N N 70 118.624 118.101 0.523 2
2 905 . 1 1 A 75 75 LYS H H 70 7.930 7.917 0.013 2
2 906 . 1 1 A 75 75 LYS CA C 70 58.807 59.949 -1.142 2
2 907 . 1 1 A 75 75 LYS HA H 70 4.086 3.999 0.087 2
2 908 . 1 1 A 75 75 LYS CB C 70 31.776 32.227 -0.451 2
2 918 . 1 1 A 75 75 LYS C C 70 177.424 178.939 -1.515 2
2 919 . 1 1 A 76 76 ILE N N 71 120.234 119.757 0.477 2
2 920 . 1 1 A 76 76 ILE H H 71 7.478 7.812 -0.334 2
2 921 . 1 1 A 76 76 ILE CA C 71 64.885 64.850 0.035 2
2 922 . 1 1 A 76 76 ILE HA H 71 3.960 3.709 0.251 2
2 923 . 1 1 A 76 76 ILE CB C 71 37.810 37.507 0.303 2
2 936 . 1 1 A 76 76 ILE C C 71 179.734 178.015 1.719 2
2 937 . 1 1 A 77 77 VAL N N 72 122.502 119.869 2.633 2
2 938 . 1 1 A 77 77 VAL H H 72 8.325 7.950 0.375 2
2 939 . 1 1 A 77 77 VAL CA C 72 67.450 66.676 0.774 2
2 940 . 1 1 A 77 77 VAL HA H 72 3.576 3.607 -0.031 2
2 941 . 1 1 A 77 77 VAL CB C 72 30.928 31.524 -0.596 2
2 951 . 1 1 A 77 77 VAL C C 72 176.906 177.799 -0.893 2
2 952 . 1 1 A 78 78 ASP N N 73 120.524 120.418 0.106 2
2 953 . 1 1 A 78 78 ASP H H 73 8.798 8.216 0.582 2
2 954 . 1 1 A 78 78 ASP CA C 73 58.206 57.360 0.846 2
2 955 . 1 1 A 78 78 ASP HA H 73 4.379 4.489 -0.110 2
2 956 . 1 1 A 78 78 ASP CB C 73 41.420 41.011 0.409 2
2 960 . 1 1 A 78 78 ASP C C 73 178.068 178.506 -0.438 2
2 961 . 1 1 A 79 79 ASP N N 74 119.761 119.710 0.051 2
2 962 . 1 1 A 79 79 ASP H H 74 9.318 8.120 1.198 2
2 963 . 1 1 A 79 79 ASP CA C 74 57.025 57.320 -0.295 2
2 964 . 1 1 A 79 79 ASP HA H 74 4.404 4.352 0.052 2
2 965 . 1 1 A 79 79 ASP CB C 74 40.007 40.701 -0.694 2
2 969 . 1 1 A 79 79 ASP C C 74 178.813 178.775 0.038 2
2 970 . 1 1 A 80 80 THR N N 75 117.342 116.616 0.726 2
2 971 . 1 1 A 80 80 THR H H 75 8.084 8.236 -0.152 2
2 972 . 1 1 A 80 80 THR CA C 75 66.977 66.423 0.554 2
2 973 . 1 1 A 80 80 THR HA H 75 3.826 3.842 -0.016 2
2 974 . 1 1 A 80 80 THR CB C 75 67.725 68.123 -0.398 2
2 980 . 1 1 A 80 80 THR C C 75 175.367 175.934 -0.567 2
2 981 . 1 1 A 81 81 TYR N N 76 123.732 121.479 2.253 2
2 982 . 1 1 A 81 81 TYR H H 76 8.830 8.235 0.595 2
2 983 . 1 1 A 81 81 TYR CA C 76 61.713 61.723 -0.010 2
2 984 . 1 1 A 81 81 TYR HA H 76 4.265 4.374 -0.109 2
2 985 . 1 1 A 81 81 TYR CB C 76 38.849 38.834 0.015 2
2 994 . 1 1 A 81 81 TYR C C 76 176.700 177.723 -1.023 2
2 995 . 1 1 A 82 82 ARG N N 77 118.508 119.189 -0.681 2
2 996 . 1 1 A 82 82 ARG H H 77 8.754 8.646 0.108 2
2 997 . 1 1 A 82 82 ARG CA C 77 58.792 59.193 -0.401 2
2 998 . 1 1 A 82 82 ARG HA H 77 3.890 3.993 -0.103 2
2 999 . 1 1 A 82 82 ARG CB C 77 29.498 30.110 -0.612 2
2 1015 . 1 1 A 82 82 ARG C C 77 178.748 178.580 0.168 2
2 1016 . 1 1 A 83 83 LYS N N 78 118.079 119.417 -1.338 2
2 1017 . 1 1 A 83 83 LYS H H 78 7.696 7.894 -0.198 2
2 1018 . 1 1 A 83 83 LYS CA C 78 58.671 59.000 -0.329 2
2 1019 . 1 1 A 83 83 LYS HA H 78 4.024 4.112 -0.088 2
2 1020 . 1 1 A 83 83 LYS CB C 78 32.057 31.871 0.186 2
2 1026 . 1 1 A 83 83 LYS C C 78 177.743 178.852 -1.109 2
2 1027 . 1 1 A 84 84 MET N N 79 118.241 119.258 -1.017 2
2 1028 . 1 1 A 84 84 MET H H 79 7.748 8.030 -0.282 2
2 1029 . 1 1 A 84 84 MET CA C 79 57.209 58.315 -1.106 2
2 1030 . 1 1 A 84 84 MET HA H 79 4.170 4.213 -0.043 2
2 1031 . 1 1 A 84 84 MET CB C 79 32.320 32.892 -0.573 2
2 1041 . 1 1 A 84 84 MET C C 79 177.036 177.114 -0.078 2
2 1042 . 1 1 A 85 85 GLN N N 80 117.242 116.237 1.005 2
2 1043 . 1 1 A 85 85 GLN H H 80 7.843 7.673 0.170 2
2 1044 . 1 1 A 85 85 GLN CA C 80 56.523 55.332 1.191 2
2 1045 . 1 1 A 85 85 GLN HA H 80 3.993 4.449 -0.456 2
2 1046 . 1 1 A 85 85 GLN CB C 80 28.240 29.411 -1.171 2
2 1056 . 1 1 A 85 85 GLN C C 80 176.690 175.523 1.167 2
2 1057 . 1 1 A 86 86 ILE N N 81 119.178 118.341 0.837 2
2 1058 . 1 1 A 86 86 ILE H H 81 7.715 7.808 -0.093 2
2 1059 . 1 1 A 86 86 ILE CA C 81 62.073 62.786 -0.713 2
2 1060 . 1 1 A 86 86 ILE HA H 81 3.934 3.955 -0.021 2
2 1061 . 1 1 A 86 86 ILE CB C 81 37.966 36.778 1.188 2
2 1074 . 1 1 A 86 86 ILE C C 81 176.673 175.306 1.367 2
2 1075 . 1 1 A 87 87 GLN N N 82 121.386 121.730 -0.344 2
2 1076 . 1 1 A 87 87 GLN H H 82 8.164 8.149 0.015 2
2 1077 . 1 1 A 87 87 GLN CA C 82 55.968 56.371 -0.403 2
2 1078 . 1 1 A 87 87 GLN HA H 82 4.214 4.289 -0.075 2
2 1079 . 1 1 A 87 87 GLN CB C 82 28.735 29.443 -0.708 2
2 1088 . 1 1 A 87 87 GLN C C 82 175.836 175.680 0.156 2
2 1089 . 1 1 A 88 88 CYS N N 83 118.663 121.367 -2.704 2
2 1090 . 1 1 A 88 88 CYS H H 83 8.238 8.475 -0.237 2
2 1091 . 1 1 A 88 88 CYS CA C 83 57.997 59.423 -1.426 2
2 1092 . 1 1 A 88 88 CYS HA H 83 4.467 4.423 0.044 2
2 1093 . 1 1 A 88 88 CYS CB C 83 27.582 27.387 0.195 2
2 1096 . 1 1 A 88 88 CYS C C 83 173.432 174.195 -0.763 2
2 1097 . 1 1 A 89 89 ALA N N 84 127.014 122.021 4.993 2
2 1098 . 1 1 A 89 89 ALA H H 84 8.249 7.975 0.274 2
2 1099 . 1 1 A 89 89 ALA CA C 84 50.607 52.214 -1.607 2
2 1100 . 1 1 A 89 89 ALA HA H 84 4.544 4.187 0.357 2
2 1104 . 1 1 A 89 89 ALA CB C 84 17.658 18.123 -0.465 2
2 1105 . 1 1 A 89 89 ALA C C 84 175.125 177.792 -2.667 2
2 1107 . 1 1 A 90 90 PRO CA C 85 62.995 63.652 -0.657 2
2 1108 . 1 1 A 90 90 PRO HA H 85 4.373 4.397 -0.024 2
2 1109 . 1 1 A 90 90 PRO CB C 85 31.692 32.056 -0.364 2
2 1117 . 1 1 A 90 90 PRO C C 85 176.407 176.912 -0.505 2
2 1118 . 1 1 A 91 91 ASP N N 86 119.209 118.300 0.909 2
2 1119 . 1 1 A 91 91 ASP H H 86 8.429 8.127 0.302 2
2 1120 . 1 1 A 91 91 ASP CA C 86 53.752 54.917 -1.165 2
2 1121 . 1 1 A 91 91 ASP HA H 86 4.394 4.317 0.077 2
2 1122 . 1 1 A 91 91 ASP CB C 86 40.319 39.255 1.064 2
2 1125 . 1 1 A 91 91 ASP C C 86 176.101 176.161 -0.060 2
2 1126 . 1 1 A 92 92 LEU N N 87 122.571 120.728 1.843 2
2 1127 . 1 1 A 92 92 LEU H H 87 8.208 8.045 0.163 2
2 1128 . 1 1 A 92 92 LEU CA C 87 55.286 57.162 -1.876 2
2 1129 . 1 1 A 92 92 LEU HA H 87 4.204 4.024 0.180 2
2 1130 . 1 1 A 92 92 LEU CB C 87 41.786 41.759 0.027 2
2 1143 . 1 1 A 92 92 LEU C C 87 177.406 176.639 0.767 2
2 1144 . 1 1 A 93 93 ALA N N 88 123.131 118.999 4.132 2
2 1145 . 1 1 A 93 93 ALA H H 88 8.305 7.835 0.470 2
2 1146 . 1 1 A 93 93 ALA CA C 88 52.876 52.859 0.017 2
2 1147 . 1 1 A 93 93 ALA HA H 88 4.263 4.140 0.123 2
2 1151 . 1 1 A 93 93 ALA CB C 88 18.672 18.342 0.330 2
2 1152 . 1 1 A 93 93 ALA C C 88 178.033 176.850 1.183 2
2 1153 . 1 1 A 94 94 THR N N 89 112.097 105.250 6.847 2
2 1154 . 1 1 A 94 94 THR H H 89 7.994 8.178 -0.184 2
2 1155 . 1 1 A 94 94 THR CA C 89 61.640 62.965 -1.325 2
2 1156 . 1 1 A 94 94 THR HA H 89 4.251 4.012 0.239 2
2 1157 . 1 1 A 94 94 THR CB C 89 69.063 67.292 1.771 2
2 1163 . 1 1 A 94 94 THR C C 89 174.493 174.115 0.378 2
2 1164 . 1 1 A 95 95 ARG N N 90 122.704 118.185 4.519 2
2 1165 . 1 1 A 95 95 ARG H H 90 8.211 8.406 -0.195 2
2 1166 . 1 1 A 95 95 ARG CA C 90 55.718 56.721 -1.003 2
2 1167 . 1 1 A 95 95 ARG HA H 90 4.324 4.151 0.173 2
2 1168 . 1 1 A 95 95 ARG CB C 90 30.309 28.350 1.959 2
2 1179 . 1 1 A 95 95 ARG C C 90 175.927 175.667 0.260 2
2 1180 . 1 1 A 96 96 SER N N 91 116.390 114.087 2.303 2
2 1181 . 1 1 A 96 96 SER H H 91 8.365 8.028 0.337 2
2 1182 . 1 1 A 96 96 SER CA C 91 57.823 58.677 -0.854 2
2 1183 . 1 1 A 96 96 SER HA H 91 4.356 4.567 -0.211 2
2 1184 . 1 1 A 96 96 SER CB C 91 63.214 63.170 0.044 2
2 1187 . 1 1 A 96 96 SER C C 91 174.011 174.797 -0.785 2
2 1188 . 1 1 A 97 97 HIS N N 92 120.507 120.433 0.074 2
2 1189 . 1 1 A 97 97 HIS H H 92 8.541 8.180 0.361 2
2 1190 . 1 1 A 97 97 HIS CA C 92 54.960 56.625 -1.665 2
2 1191 . 1 1 A 97 97 HIS HA H 92 4.704 4.586 0.118 2
2 1192 . 1 1 A 97 97 HIS CB C 92 28.518 30.227 -1.709 2
2 1197 . 1 1 A 97 97 HIS C C 92 174.186 174.796 -0.610 2
2 1198 . 1 1 A 98 98 SER N N 93 116.801 112.390 4.411 2
2 1199 . 1 1 A 98 98 SER H H 93 8.455 7.884 0.571 2
2 1200 . 1 1 A 98 98 SER CA C 93 57.880 57.679 0.201 2
2 1201 . 1 1 A 98 98 SER HA H 93 4.445 4.602 -0.157 2
2 1202 . 1 1 A 98 98 SER CB C 93 63.434 64.325 -0.891 2
2 1205 . 1 1 A 98 98 SER C C 93 174.508 173.689 0.819 2
2 1206 . 1 1 A 99 99 GLY N N 94 111.114 111.777 -0.663 2
2 1207 . 1 1 A 99 99 GLY H H 94 8.597 8.491 0.106 2
2 1208 . 1 1 A 99 99 GLY CA C 94 44.888 45.436 -0.548 2
2 1209 . 1 1 A 99 99 GLY HA2 H 94 3.998 4.107 -0.109 2
2 1210 . 1 1 A 99 99 GLY HA3 H 94 3.998 4.133 -0.135 2
2 1211 . 1 1 A 99 99 GLY C C 94 173.856 174.263 -0.407 2
2 1212 . 1 1 A 100 100 SER N N 95 115.398 115.440 -0.042 2
2 1213 . 1 1 A 100 100 SER H H 95 8.311 8.357 -0.046 2
2 1214 . 1 1 A 100 100 SER CA C 95 57.888 58.097 -0.209 2
2 1215 . 1 1 A 100 100 SER HA H 95 4.408 4.641 -0.233 2
2 1216 . 1 1 A 100 100 SER CB C 95 63.328 63.853 -0.525 2
2 1219 . 1 1 A 100 100 SER C C 95 173.725 174.147 -0.422 2
2 1220 . 1 1 A 101 101 ASP N N 96 121.810 120.165 1.645 2
2 1221 . 1 1 A 101 101 ASP H H 96 8.380 8.330 0.050 2
2 1222 . 1 1 A 101 101 ASP CA C 96 53.813 54.776 -0.963 2
2 1223 . 1 1 A 101 101 ASP HA H 96 4.536 4.675 -0.139 2
2 1224 . 1 1 A 101 101 ASP CB C 96 40.438 41.341 -0.903 2
2 1227 . 1 1 A 101 101 ASP C C 96 175.524 176.459 -0.935 2
2 1228 . 1 1 A 102 102 PHE N N 97 120.706 117.258 3.448 2
2 1229 . 1 1 A 102 102 PHE H H 97 8.249 8.122 0.127 2
2 1230 . 1 1 A 102 102 PHE CA C 97 57.323 58.040 -0.717 2
2 1231 . 1 1 A 102 102 PHE HA H 97 4.527 4.509 0.018 2
2 1232 . 1 1 A 102 102 PHE CB C 97 38.989 38.959 0.030 2
2 1238 . 1 1 A 102 102 PHE C C 97 175.246 175.490 -0.244 2
2 1239 . 1 1 A 103 103 SER N N 98 116.992 113.795 3.197 2
2 1240 . 1 1 A 103 103 SER H H 98 8.167 8.054 0.113 2
2 1241 . 1 1 A 103 103 SER CA C 98 57.883 57.927 -0.044 2
2 1242 . 1 1 A 103 103 SER HA H 98 4.317 4.629 -0.312 2
2 1243 . 1 1 A 103 103 SER CB C 98 63.301 63.097 0.204 2
2 1246 . 1 1 A 103 103 SER C C 98 173.244 173.629 -0.385 2
2 1247 . 1 1 A 104 104 PHE N N 99 122.000 122.936 -0.936 2
2 1248 . 1 1 A 104 104 PHE H H 99 8.170 8.514 -0.344 2
2 1249 . 1 1 A 104 104 PHE CA C 99 57.236 57.090 0.146 2
2 1250 . 1 1 A 104 104 PHE HA H 99 4.529 4.521 0.008 2
2 1251 . 1 1 A 104 104 PHE CB C 99 38.997 37.869 1.128 2
2 1257 . 1 1 A 104 104 PHE C C 99 174.632 174.806 -0.174 2
2 1258 . 1 1 A 105 105 ARG N N 100 124.796 122.998 1.798 2
2 1259 . 1 1 A 105 105 ARG H H 100 8.101 7.939 0.162 2
2 1260 . 1 1 A 105 105 ARG CA C 100 52.969 54.493 -1.524 2
2 1261 . 1 1 A 105 105 ARG HA H 100 4.516 4.454 0.062 2
2 1262 . 1 1 A 105 105 ARG CB C 100 30.069 30.435 -0.366 2
2 1271 . 1 1 A 105 105 ARG C C 100 172.924 174.582 -1.658 2
2 1273 . 1 1 A 106 106 PRO CA C 101 62.673 62.362 0.311 2
2 1274 . 1 1 A 106 106 PRO HA H 101 4.351 4.614 -0.263 2
2 1275 . 1 1 A 106 106 PRO CB C 101 31.726 32.919 -1.193 2
2 1283 . 1 1 A 106 106 PRO C C 101 176.395 176.378 0.017 2
2 1284 . 1 1 A 107 107 ILE N N 102 121.380 121.291 0.089 2
2 1285 . 1 1 A 107 107 ILE H H 102 8.350 8.460 -0.110 2
2 1286 . 1 1 A 107 107 ILE CA C 102 60.940 60.445 0.495 2
2 1287 . 1 1 A 107 107 ILE HA H 102 4.039 4.573 -0.534 2
2 1288 . 1 1 A 107 107 ILE CB C 102 38.204 38.646 -0.442 2
2 1301 . 1 1 A 107 107 ILE C C 102 175.990 176.029 -0.039 2
2 1302 . 1 1 A 108 108 GLU N N 103 124.836 121.789 3.047 2
2 1303 . 1 1 A 108 108 GLU H H 103 8.578 8.124 0.454 2
2 1304 . 1 1 A 108 108 GLU CA C 103 55.883 58.662 -2.779 2
2 1305 . 1 1 A 108 108 GLU HA H 103 4.280 3.945 0.335 2
2 1306 . 1 1 A 108 108 GLU CB C 103 29.902 28.961 0.941 2
2 1312 . 1 1 A 108 108 GLU C C 103 175.670 176.330 -0.660 2
2 1313 . 1 1 A 109 109 GLU N N 104 122.847 117.891 4.956 2
2 1314 . 1 1 A 109 109 GLU H H 104 8.459 8.024 0.435 2
2 1315 . 1 1 A 109 109 GLU CA C 104 55.902 56.377 -0.475 2
2 1316 . 1 1 A 109 109 GLU HA H 104 4.267 4.258 0.009 2
2 1317 . 1 1 A 109 109 GLU CB C 104 29.985 28.881 1.104 2
2 1322 . 1 1 A 109 109 GLU C C 104 174.661 175.763 -1.102 2
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