data_10141_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10141
_Entry.PDB_ID 2E9G
_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 1 . 1 1 1 A 6 6 SER CA C 6 58.371 56.643 1.728 1
1 2 . 1 1 1 A 6 6 SER HA H 6 4.533 5.150 -0.617 1
1 3 . 1 1 1 A 6 6 SER CB C 6 63.994 64.335 -0.341 1
1 5 . 1 1 1 A 6 6 SER C C 6 174.472 173.467 1.005 1
1 7 . 1 1 1 A 7 7 GLY N N 7 110.741 113.544 -2.803 1
1 8 . 1 1 1 A 7 7 GLY H H 7 8.209 8.264 -0.055 1
1 9 . 1 1 1 A 7 7 GLY CA C 7 44.501 45.113 -0.612 1
1 10 . 1 1 1 A 7 7 GLY HA3 H 7 4.059 4.166 -0.107 1
1 11 . 1 1 1 A 7 7 GLY C C 7 171.084 171.330 -0.246 1
1 12 . 1 1 1 A 7 7 GLY HA2 H 7 4.155 4.166 -0.011 1
1 13 . 1 1 1 A 8 8 PRO CA C 8 61.515 62.110 -0.595 1
1 14 . 1 1 1 A 8 8 PRO HA H 8 4.713 4.641 0.072 1
1 15 . 1 1 1 A 8 8 PRO CB C 8 30.760 31.936 -1.176 1
1 24 . 1 1 1 A 9 9 PRO HA H 9 4.724 4.571 0.153 1
1 30 . 1 1 1 A 10 10 PRO CA C 10 62.761 62.472 0.289 1
1 31 . 1 1 1 A 10 10 PRO HA H 10 4.389 4.594 -0.205 1
1 32 . 1 1 1 A 10 10 PRO CB C 10 32.082 33.172 -1.090 1
1 37 . 1 1 1 A 10 10 PRO C C 10 176.236 175.334 0.902 1
1 41 . 1 1 1 A 11 11 ALA N N 11 125.926 121.388 4.538 1
1 42 . 1 1 1 A 11 11 ALA H H 11 8.352 8.217 0.135 1
1 43 . 1 1 1 A 11 11 ALA CA C 11 50.343 49.171 1.172 1
1 44 . 1 1 1 A 11 11 ALA HA H 11 4.583 4.806 -0.223 1
1 45 . 1 1 1 A 11 11 ALA CB C 11 18.255 20.237 -1.982 1
1 49 . 1 1 1 A 11 11 ALA C C 11 175.479 175.155 0.324 1
1 50 . 1 1 1 A 12 12 PRO CA C 12 62.757 62.267 0.490 1
1 51 . 1 1 1 A 12 12 PRO HA H 12 4.386 4.641 -0.255 1
1 52 . 1 1 1 A 12 12 PRO CB C 12 32.104 33.129 -1.025 1
1 57 . 1 1 1 A 12 12 PRO C C 12 176.478 175.248 1.230 1
1 61 . 1 1 1 A 13 13 ILE N N 13 124.607 121.041 3.566 1
1 62 . 1 1 1 A 13 13 ILE H H 13 8.661 8.226 0.435 1
1 63 . 1 1 1 A 13 13 ILE CA C 13 59.081 57.885 1.196 1
1 64 . 1 1 1 A 13 13 ILE HA H 13 4.288 4.532 -0.244 1
1 65 . 1 1 1 A 13 13 ILE CB C 13 39.710 40.408 -0.698 1
1 77 . 1 1 1 A 13 13 ILE C C 13 174.727 174.364 0.363 1
1 79 . 1 1 1 A 14 14 PRO CA C 14 63.433 62.605 0.828 1
1 80 . 1 1 1 A 14 14 PRO HA H 14 4.457 4.491 -0.034 1
1 81 . 1 1 1 A 14 14 PRO CB C 14 32.428 32.289 0.139 1
1 86 . 1 1 1 A 14 14 PRO C C 14 175.380 176.703 -1.323 1
1 90 . 1 1 1 A 15 15 ASP N N 15 118.741 119.899 -1.158 1
1 91 . 1 1 1 A 15 15 ASP H H 15 8.042 8.558 -0.516 1
1 92 . 1 1 1 A 15 15 ASP CA C 15 54.213 54.031 0.182 1
1 93 . 1 1 1 A 15 15 ASP HA H 15 5.064 4.846 0.218 1
1 94 . 1 1 1 A 15 15 ASP CB C 15 41.793 41.428 0.365 1
1 96 . 1 1 1 A 15 15 ASP C C 15 176.413 175.671 0.742 1
1 98 . 1 1 1 A 16 16 LEU N N 16 121.451 122.184 -0.733 1
1 99 . 1 1 1 A 16 16 LEU H H 16 9.016 8.698 0.318 1
1 100 . 1 1 1 A 16 16 LEU CA C 16 53.914 54.061 -0.147 1
1 101 . 1 1 1 A 16 16 LEU HA H 16 4.847 5.004 -0.157 1
1 102 . 1 1 1 A 16 16 LEU CB C 16 48.283 46.221 2.062 1
1 114 . 1 1 1 A 16 16 LEU C C 16 174.915 174.389 0.526 1
1 116 . 1 1 1 A 17 17 LYS N N 17 130.346 127.492 2.854 1
1 117 . 1 1 1 A 17 17 LYS H H 17 8.937 8.859 0.078 1
1 118 . 1 1 1 A 17 17 LYS CA C 17 57.027 56.953 0.074 1
1 119 . 1 1 1 A 17 17 LYS HA H 17 4.821 4.473 0.348 1
1 120 . 1 1 1 A 17 17 LYS CB C 17 31.991 32.511 -0.520 1
1 128 . 1 1 1 A 17 17 LYS C C 17 177.744 176.411 1.333 1
1 133 . 1 1 1 A 18 18 VAL N N 18 116.605 121.604 -4.999 1
1 134 . 1 1 1 A 18 18 VAL H H 18 8.228 8.839 -0.611 1
1 135 . 1 1 1 A 18 18 VAL CA C 18 60.586 61.890 -1.304 1
1 136 . 1 1 1 A 18 18 VAL HA H 18 4.807 4.378 0.429 1
1 137 . 1 1 1 A 18 18 VAL CB C 18 33.601 33.849 -0.248 1
1 147 . 1 1 1 A 18 18 VAL C C 18 174.118 175.539 -1.421 1
1 148 . 1 1 1 A 19 19 PHE N N 19 120.586 121.399 -0.813 1
1 149 . 1 1 1 A 19 19 PHE H H 19 7.429 7.564 -0.135 1
1 150 . 1 1 1 A 19 19 PHE CA C 19 57.947 57.248 0.699 1
1 151 . 1 1 1 A 19 19 PHE HA H 19 4.544 4.551 -0.007 1
1 152 . 1 1 1 A 19 19 PHE CB C 19 43.455 42.280 1.175 1
1 162 . 1 1 1 A 19 19 PHE C C 19 172.947 172.839 0.108 1
1 164 . 1 1 1 A 20 20 GLU N N 20 126.790 127.057 -0.267 1
1 165 . 1 1 1 A 20 20 GLU H H 20 7.620 8.478 -0.858 1
1 166 . 1 1 1 A 20 20 GLU CA C 20 55.117 54.868 0.249 1
1 167 . 1 1 1 A 20 20 GLU HA H 20 5.059 4.992 0.067 1
1 168 . 1 1 1 A 20 20 GLU CB C 20 32.091 32.548 -0.457 1
1 172 . 1 1 1 A 20 20 GLU C C 20 174.073 174.068 0.005 1
1 175 . 1 1 1 A 21 21 ARG N N 21 125.153 127.635 -2.482 1
1 176 . 1 1 1 A 21 21 ARG H H 21 8.806 9.253 -0.447 1
1 177 . 1 1 1 A 21 21 ARG CA C 21 56.532 53.722 2.810 1
1 178 . 1 1 1 A 21 21 ARG HA H 21 4.234 4.846 -0.612 1
1 179 . 1 1 1 A 21 21 ARG CB C 21 33.707 33.892 -0.185 1
1 185 . 1 1 1 A 21 21 ARG C C 21 176.293 177.190 -0.897 1
1 189 . 1 1 1 A 22 22 GLU N N 22 132.286 123.887 8.399 1
1 190 . 1 1 1 A 22 22 GLU H H 22 9.887 8.949 0.938 1
1 191 . 1 1 1 A 22 22 GLU CA C 22 57.271 58.523 -1.252 1
1 192 . 1 1 1 A 22 22 GLU HA H 22 3.968 4.158 -0.190 1
1 193 . 1 1 1 A 22 22 GLU CB C 22 28.595 28.987 -0.392 1
1 197 . 1 1 1 A 22 22 GLU C C 22 175.219 176.846 -1.627 1
1 200 . 1 1 1 A 23 23 GLY N N 23 103.445 108.020 -4.575 1
1 201 . 1 1 1 A 23 23 GLY H H 23 8.570 8.046 0.524 1
1 202 . 1 1 1 A 23 23 GLY CA C 23 45.698 46.117 -0.419 1
1 203 . 1 1 1 A 23 23 GLY HA3 H 23 4.242 4.285 -0.043 1
1 204 . 1 1 1 A 23 23 GLY C C 23 173.517 174.092 -0.575 1
1 205 . 1 1 1 A 23 23 GLY HA2 H 23 3.658 4.263 -0.605 1
1 206 . 1 1 1 A 24 24 VAL N N 24 124.489 119.353 5.136 1
1 207 . 1 1 1 A 24 24 VAL H H 24 8.016 7.609 0.407 1
1 208 . 1 1 1 A 24 24 VAL CA C 24 61.341 62.244 -0.903 1
1 209 . 1 1 1 A 24 24 VAL HA H 24 4.780 4.431 0.349 1
1 210 . 1 1 1 A 24 24 VAL CB C 24 32.051 32.778 -0.727 1
1 220 . 1 1 1 A 24 24 VAL C C 24 175.459 175.041 0.418 1
1 221 . 1 1 1 A 25 25 GLN N N 25 123.296 124.792 -1.496 1
1 222 . 1 1 1 A 25 25 GLN H H 25 8.446 8.913 -0.467 1
1 223 . 1 1 1 A 25 25 GLN CA C 25 53.879 54.652 -0.773 1
1 224 . 1 1 1 A 25 25 GLN HA H 25 5.378 5.232 0.146 1
1 225 . 1 1 1 A 25 25 GLN CB C 25 33.065 32.219 0.846 1
1 232 . 1 1 1 A 25 25 GLN C C 25 174.348 173.957 0.391 1
1 235 . 1 1 1 A 26 26 LEU N N 26 120.847 127.440 -6.593 1
1 236 . 1 1 1 A 26 26 LEU H H 26 8.579 9.263 -0.684 1
1 237 . 1 1 1 A 26 26 LEU CA C 26 53.914 53.465 0.449 1
1 238 . 1 1 1 A 26 26 LEU HA H 26 5.400 5.603 -0.203 1
1 239 . 1 1 1 A 26 26 LEU CB C 26 47.336 45.669 1.667 1
1 251 . 1 1 1 A 26 26 LEU C C 26 174.842 174.745 0.097 1
1 253 . 1 1 1 A 27 27 ASN N N 27 124.346 123.925 0.421 1
1 254 . 1 1 1 A 27 27 ASN H H 27 8.738 8.781 -0.043 1
1 255 . 1 1 1 A 27 27 ASN CA C 27 52.063 51.678 0.385 1
1 256 . 1 1 1 A 27 27 ASN HA H 27 5.542 5.421 0.121 1
1 257 . 1 1 1 A 27 27 ASN CB C 27 43.866 42.131 1.735 1
1 262 . 1 1 1 A 27 27 ASN C C 27 173.520 173.307 0.213 1
1 264 . 1 1 1 A 28 28 LEU N N 28 124.198 124.945 -0.747 1
1 265 . 1 1 1 A 28 28 LEU H H 28 9.406 8.981 0.425 1
1 266 . 1 1 1 A 28 28 LEU CA C 28 53.773 53.212 0.561 1
1 267 . 1 1 1 A 28 28 LEU HA H 28 4.995 5.221 -0.226 1
1 268 . 1 1 1 A 28 28 LEU CB C 28 44.307 45.455 -1.148 1
1 280 . 1 1 1 A 28 28 LEU C C 28 174.670 174.352 0.318 1
1 282 . 1 1 1 A 29 29 SER N N 29 115.017 121.440 -6.423 1
1 283 . 1 1 1 A 29 29 SER H H 29 8.314 8.538 -0.224 1
1 284 . 1 1 1 A 29 29 SER CA C 29 56.340 56.437 -0.097 1
1 285 . 1 1 1 A 29 29 SER HA H 29 4.807 5.234 -0.427 1
1 286 . 1 1 1 A 29 29 SER CB C 29 65.926 65.093 0.833 1
1 288 . 1 1 1 A 29 29 SER C C 29 172.842 172.393 0.449 1
1 290 . 1 1 1 A 30 30 PHE N N 30 119.941 126.020 -6.079 1
1 291 . 1 1 1 A 30 30 PHE H H 30 9.366 9.313 0.053 1
1 292 . 1 1 1 A 30 30 PHE CA C 30 57.047 56.820 0.227 1
1 293 . 1 1 1 A 30 30 PHE HA H 30 5.374 5.189 0.185 1
1 294 . 1 1 1 A 30 30 PHE CB C 30 44.307 40.702 3.605 1
1 306 . 1 1 1 A 30 30 PHE C C 30 175.242 175.025 0.217 1
1 308 . 1 1 1 A 31 31 ILE N N 31 122.161 122.852 -0.691 1
1 309 . 1 1 1 A 31 31 ILE H H 31 8.950 9.042 -0.092 1
1 310 . 1 1 1 A 31 31 ILE CA C 31 60.680 60.166 0.514 1
1 311 . 1 1 1 A 31 31 ILE HA H 31 4.338 4.887 -0.549 1
1 312 . 1 1 1 A 31 31 ILE CB C 31 42.354 40.837 1.517 1
1 324 . 1 1 1 A 31 31 ILE C C 31 174.368 175.097 -0.729 1
1 326 . 1 1 1 A 32 32 ARG N N 32 128.976 127.452 1.524 1
1 327 . 1 1 1 A 32 32 ARG H H 32 8.773 8.862 -0.089 1
1 328 . 1 1 1 A 32 32 ARG CA C 32 51.444 53.081 -1.637 1
1 329 . 1 1 1 A 32 32 ARG HA H 32 5.263 4.960 0.303 1
1 330 . 1 1 1 A 32 32 ARG CB C 32 29.600 31.242 -1.642 1
1 338 . 1 1 1 A 32 32 ARG C C 32 173.585 173.596 -0.011 1
1 342 . 1 1 1 A 33 33 PRO CA C 33 60.759 61.906 -1.147 1
1 343 . 1 1 1 A 33 33 PRO HA H 33 4.581 4.669 -0.088 1
1 344 . 1 1 1 A 33 33 PRO CB C 33 32.219 32.570 -0.351 1
1 353 . 1 1 1 A 34 34 PRO CA C 34 64.464 65.231 -0.767 1
1 354 . 1 1 1 A 34 34 PRO HA H 34 4.236 4.229 0.007 1
1 355 . 1 1 1 A 34 34 PRO CB C 34 31.997 32.059 -0.062 1
1 361 . 1 1 1 A 34 34 PRO C C 34 178.240 178.541 -0.301 1
1 365 . 1 1 1 A 35 35 GLU N N 35 115.025 116.272 -1.247 1
1 366 . 1 1 1 A 35 35 GLU H H 35 9.287 8.864 0.423 1
1 367 . 1 1 1 A 35 35 GLU CA C 35 57.753 58.876 -1.123 1
1 368 . 1 1 1 A 35 35 GLU HA H 35 4.205 4.144 0.061 1
1 369 . 1 1 1 A 35 35 GLU CB C 35 28.595 28.828 -0.233 1
1 373 . 1 1 1 A 35 35 GLU C C 35 176.471 176.883 -0.412 1
1 376 . 1 1 1 A 36 36 ASN N N 36 114.302 118.074 -3.772 1
1 377 . 1 1 1 A 36 36 ASN H H 36 7.257 7.897 -0.640 1
1 378 . 1 1 1 A 36 36 ASN CA C 36 50.593 50.050 0.543 1
1 379 . 1 1 1 A 36 36 ASN HA H 36 5.024 5.175 -0.151 1
1 380 . 1 1 1 A 36 36 ASN CB C 36 39.094 39.165 -0.071 1
1 385 . 1 1 1 A 36 36 ASN C C 36 172.128 173.675 -1.547 1
1 387 . 1 1 1 A 37 37 PRO CA C 37 64.287 65.011 -0.724 1
1 388 . 1 1 1 A 37 37 PRO HA H 37 4.600 4.317 0.283 1
1 389 . 1 1 1 A 37 37 PRO CB C 37 32.235 32.063 0.172 1
1 394 . 1 1 1 A 37 37 PRO C C 37 176.707 177.942 -1.235 1
1 398 . 1 1 1 A 38 38 ALA N N 38 117.780 117.970 -0.190 1
1 399 . 1 1 1 A 38 38 ALA H H 38 7.596 8.045 -0.449 1
1 400 . 1 1 1 A 38 38 ALA CA C 38 52.674 53.142 -0.468 1
1 401 . 1 1 1 A 38 38 ALA HA H 38 4.262 4.313 -0.051 1
1 402 . 1 1 1 A 38 38 ALA CB C 38 19.201 19.260 -0.059 1
1 406 . 1 1 1 A 38 38 ALA C C 38 176.546 176.995 -0.449 1
1 407 . 1 1 1 A 39 39 LEU N N 39 122.870 121.110 1.760 1
1 408 . 1 1 1 A 39 39 LEU H H 39 7.963 7.142 0.821 1
1 409 . 1 1 1 A 39 39 LEU CA C 39 54.548 54.042 0.506 1
1 410 . 1 1 1 A 39 39 LEU HA H 39 4.953 4.834 0.119 1
1 411 . 1 1 1 A 39 39 LEU CB C 39 44.768 44.146 0.622 1
1 423 . 1 1 1 A 39 39 LEU C C 39 173.627 175.509 -1.882 1
1 425 . 1 1 1 A 40 40 LEU N N 40 125.985 128.667 -2.682 1
1 426 . 1 1 1 A 40 40 LEU H H 40 9.247 8.880 0.367 1
1 427 . 1 1 1 A 40 40 LEU CA C 40 53.914 53.634 0.280 1
1 428 . 1 1 1 A 40 40 LEU HA H 40 5.018 5.143 -0.125 1
1 429 . 1 1 1 A 40 40 LEU CB C 40 45.014 44.567 0.447 1
1 441 . 1 1 1 A 40 40 LEU C C 40 174.170 174.828 -0.658 1
1 443 . 1 1 1 A 41 41 LEU N N 41 125.906 129.144 -3.238 1
1 444 . 1 1 1 A 41 41 LEU H H 41 9.224 8.882 0.342 1
1 445 . 1 1 1 A 41 41 LEU CA C 41 53.190 54.096 -0.906 1
1 446 . 1 1 1 A 41 41 LEU HA H 41 5.222 4.946 0.276 1
1 447 . 1 1 1 A 41 41 LEU CB C 41 42.034 41.619 0.415 1
1 459 . 1 1 1 A 41 41 LEU C C 41 177.109 176.070 1.039 1
1 461 . 1 1 1 A 42 42 ILE N N 42 124.731 126.174 -1.443 1
1 462 . 1 1 1 A 42 42 ILE H H 42 9.087 8.847 0.240 1
1 463 . 1 1 1 A 42 42 ILE CA C 42 59.794 60.462 -0.668 1
1 464 . 1 1 1 A 42 42 ILE HA H 42 5.055 4.771 0.284 1
1 465 . 1 1 1 A 42 42 ILE CB C 42 41.019 38.945 2.074 1
1 477 . 1 1 1 A 42 42 ILE C C 42 175.074 175.251 -0.177 1
1 479 . 1 1 1 A 43 43 THR N N 43 123.315 122.171 1.144 1
1 480 . 1 1 1 A 43 43 THR H H 43 8.589 8.595 -0.006 1
1 481 . 1 1 1 A 43 43 THR CA C 43 61.677 61.271 0.406 1
1 482 . 1 1 1 A 43 43 THR HA H 43 5.023 5.325 -0.302 1
1 483 . 1 1 1 A 43 43 THR CB C 43 69.838 72.867 -3.029 1
1 489 . 1 1 1 A 43 43 THR C C 43 174.993 173.503 1.490 1
1 490 . 1 1 1 A 44 44 ILE N N 44 126.677 124.005 2.672 1
1 491 . 1 1 1 A 44 44 ILE H H 44 9.329 8.937 0.392 1
1 492 . 1 1 1 A 44 44 ILE CA C 44 59.794 59.893 -0.099 1
1 493 . 1 1 1 A 44 44 ILE HA H 44 4.953 5.056 -0.103 1
1 494 . 1 1 1 A 44 44 ILE CB C 44 38.754 41.771 -3.017 1
1 506 . 1 1 1 A 44 44 ILE C C 44 174.670 175.342 -0.672 1
1 508 . 1 1 1 A 45 45 THR N N 45 120.442 122.984 -2.542 1
1 509 . 1 1 1 A 45 45 THR H H 45 8.740 8.768 -0.028 1
1 510 . 1 1 1 A 45 45 THR CA C 45 61.579 61.569 0.010 1
1 511 . 1 1 1 A 45 45 THR HA H 45 5.266 4.855 0.411 1
1 512 . 1 1 1 A 45 45 THR CB C 45 70.338 70.616 -0.278 1
1 518 . 1 1 1 A 45 45 THR C C 45 174.494 173.199 1.295 1
1 519 . 1 1 1 A 46 46 ALA N N 46 134.267 130.202 4.065 1
1 520 . 1 1 1 A 46 46 ALA H H 46 9.489 8.312 1.177 1
1 521 . 1 1 1 A 46 46 ALA CA C 46 49.846 50.582 -0.736 1
1 522 . 1 1 1 A 46 46 ALA HA H 46 5.554 4.801 0.753 1
1 523 . 1 1 1 A 46 46 ALA CB C 46 20.414 19.859 0.555 1
1 527 . 1 1 1 A 46 46 ALA C C 46 174.819 176.705 -1.886 1
1 528 . 1 1 1 A 47 47 THR N N 47 111.611 115.251 -3.640 1
1 529 . 1 1 1 A 47 47 THR H H 47 8.431 8.872 -0.441 1
1 530 . 1 1 1 A 47 47 THR CA C 47 59.331 59.638 -0.307 1
1 531 . 1 1 1 A 47 47 THR HA H 47 4.409 5.055 -0.646 1
1 532 . 1 1 1 A 47 47 THR CB C 47 71.655 70.534 1.121 1
1 538 . 1 1 1 A 47 47 THR C C 47 173.104 172.805 0.299 1
1 539 . 1 1 1 A 48 48 ASN N N 48 117.087 121.932 -4.845 1
1 540 . 1 1 1 A 48 48 ASN H H 48 8.647 8.445 0.202 1
1 541 . 1 1 1 A 48 48 ASN CA C 48 51.019 51.523 -0.504 1
1 542 . 1 1 1 A 48 48 ASN HA H 48 5.096 5.044 0.052 1
1 543 . 1 1 1 A 48 48 ASN CB C 48 39.880 41.275 -1.395 1
1 548 . 1 1 1 A 48 48 ASN C C 48 173.769 174.473 -0.704 1
1 550 . 1 1 1 A 49 49 PHE N N 49 123.238 123.396 -0.158 1
1 551 . 1 1 1 A 49 49 PHE H H 49 9.105 8.434 0.671 1
1 552 . 1 1 1 A 49 49 PHE CA C 49 57.422 58.631 -1.209 1
1 553 . 1 1 1 A 49 49 PHE HA H 49 4.601 4.683 -0.082 1
1 554 . 1 1 1 A 49 49 PHE CB C 49 38.770 40.891 -2.121 1
1 566 . 1 1 1 A 49 49 PHE C C 49 176.238 175.680 0.558 1
1 568 . 1 1 1 A 50 50 SER N N 50 118.477 113.939 4.538 1
1 569 . 1 1 1 A 50 50 SER H H 50 8.344 7.425 0.919 1
1 570 . 1 1 1 A 50 50 SER CA C 50 58.654 58.420 0.234 1
1 571 . 1 1 1 A 50 50 SER HA H 50 4.933 4.556 0.377 1
1 572 . 1 1 1 A 50 50 SER CB C 50 66.611 65.189 1.422 1
1 573 . 1 1 1 A 50 50 SER C C 50 173.089 175.538 -2.449 1
1 574 . 1 1 1 A 51 51 GLU N N 51 114.036 118.617 -4.581 1
1 575 . 1 1 1 A 51 51 GLU H H 51 9.051 9.102 -0.051 1
1 576 . 1 1 1 A 51 51 GLU CA C 51 56.701 56.053 0.648 1
1 577 . 1 1 1 A 51 51 GLU HA H 51 4.358 4.477 -0.119 1
1 578 . 1 1 1 A 51 51 GLU CB C 51 30.323 29.276 1.047 1
1 582 . 1 1 1 A 51 51 GLU C C 51 175.603 175.953 -0.350 1
1 585 . 1 1 1 A 52 52 GLY N N 52 109.625 108.972 0.653 1
1 586 . 1 1 1 A 52 52 GLY H H 52 8.525 7.567 0.958 1
1 587 . 1 1 1 A 52 52 GLY CA C 52 44.267 44.546 -0.279 1
1 588 . 1 1 1 A 52 52 GLY HA3 H 52 4.505 3.893 0.612 1
1 589 . 1 1 1 A 52 52 GLY C C 52 173.168 172.987 0.181 1
1 590 . 1 1 1 A 52 52 GLY HA2 H 52 2.842 3.255 -0.413 1
1 591 . 1 1 1 A 53 53 ASP N N 53 125.175 125.206 -0.031 1
1 592 . 1 1 1 A 53 53 ASP H H 53 9.001 8.637 0.364 1
1 593 . 1 1 1 A 53 53 ASP CA C 53 55.793 55.265 0.528 1
1 594 . 1 1 1 A 53 53 ASP HA H 53 4.082 4.524 -0.442 1
1 595 . 1 1 1 A 53 53 ASP CB C 53 40.522 41.238 -0.716 1
1 597 . 1 1 1 A 53 53 ASP C C 53 176.506 175.879 0.627 1
1 599 . 1 1 1 A 54 54 VAL N N 54 125.250 124.488 0.762 1
1 600 . 1 1 1 A 54 54 VAL H H 54 7.873 8.163 -0.290 1
1 601 . 1 1 1 A 54 54 VAL CA C 54 61.350 61.542 -0.192 1
1 602 . 1 1 1 A 54 54 VAL HA H 54 4.759 4.752 0.007 1
1 603 . 1 1 1 A 54 54 VAL CB C 54 32.808 32.448 0.360 1
1 613 . 1 1 1 A 54 54 VAL C C 54 176.126 175.037 1.089 1
1 614 . 1 1 1 A 55 55 THR N N 55 116.888 116.518 0.370 1
1 615 . 1 1 1 A 55 55 THR H H 55 9.004 8.578 0.426 1
1 616 . 1 1 1 A 55 55 THR CA C 55 59.194 59.953 -0.759 1
1 617 . 1 1 1 A 55 55 THR HA H 55 4.920 4.798 0.122 1
1 618 . 1 1 1 A 55 55 THR CB C 55 72.508 72.161 0.347 1
1 624 . 1 1 1 A 55 55 THR C C 55 173.166 173.221 -0.055 1
1 625 . 1 1 1 A 56 56 HIS N N 56 115.667 116.666 -0.999 1
1 626 . 1 1 1 A 56 56 HIS H H 56 9.193 8.911 0.282 1
1 627 . 1 1 1 A 56 56 HIS CA C 56 56.363 56.827 -0.464 1
1 628 . 1 1 1 A 56 56 HIS HA H 56 4.153 4.005 0.148 1
1 629 . 1 1 1 A 56 56 HIS CB C 56 26.923 26.952 -0.029 1
1 635 . 1 1 1 A 56 56 HIS C C 56 173.611 173.996 -0.385 1
1 637 . 1 1 1 A 57 57 PHE N N 57 118.625 118.339 0.286 1
1 638 . 1 1 1 A 57 57 PHE H H 57 8.932 8.121 0.811 1
1 639 . 1 1 1 A 57 57 PHE CA C 57 59.503 59.780 -0.277 1
1 640 . 1 1 1 A 57 57 PHE HA H 57 4.819 4.411 0.408 1
1 641 . 1 1 1 A 57 57 PHE CB C 57 39.871 39.593 0.278 1
1 653 . 1 1 1 A 57 57 PHE C C 57 176.025 174.791 1.234 1
1 655 . 1 1 1 A 58 58 ILE N N 58 131.418 127.729 3.689 1
1 656 . 1 1 1 A 58 58 ILE H H 58 8.989 8.195 0.794 1
1 657 . 1 1 1 A 58 58 ILE CA C 58 61.138 59.696 1.442 1
1 658 . 1 1 1 A 58 58 ILE HA H 58 4.001 4.438 -0.437 1
1 659 . 1 1 1 A 58 58 ILE CB C 58 41.349 40.191 1.158 1
1 671 . 1 1 1 A 58 58 ILE C C 58 173.046 173.834 -0.788 1
1 673 . 1 1 1 A 59 59 CYS N N 59 126.838 127.740 -0.902 1
1 674 . 1 1 1 A 59 59 CYS H H 59 8.844 8.726 0.118 1
1 675 . 1 1 1 A 59 59 CYS CA C 59 56.902 56.806 0.096 1
1 676 . 1 1 1 A 59 59 CYS HA H 59 5.044 4.928 0.116 1
1 677 . 1 1 1 A 59 59 CYS CB C 59 28.363 29.834 -1.471 1
1 679 . 1 1 1 A 59 59 CYS C C 59 173.375 173.365 0.010 1
1 681 . 1 1 1 A 60 60 GLN N N 60 126.903 126.816 0.087 1
1 682 . 1 1 1 A 60 60 GLN H H 60 8.929 8.787 0.142 1
1 683 . 1 1 1 A 60 60 GLN CA C 60 54.162 54.228 -0.066 1
1 684 . 1 1 1 A 60 60 GLN HA H 60 4.656 4.935 -0.279 1
1 685 . 1 1 1 A 60 60 GLN CB C 60 31.991 32.753 -0.762 1
1 691 . 1 1 1 A 60 60 GLN C C 60 174.000 174.365 -0.365 1
1 694 . 1 1 1 A 61 61 ALA N N 61 124.049 121.021 3.028 1
1 695 . 1 1 1 A 61 61 ALA H H 61 8.178 8.541 -0.363 1
1 696 . 1 1 1 A 61 61 ALA CA C 61 50.160 51.206 -1.046 1
1 697 . 1 1 1 A 61 61 ALA HA H 61 5.192 5.104 0.088 1
1 698 . 1 1 1 A 61 61 ALA CB C 61 23.419 24.002 -0.583 1
1 702 . 1 1 1 A 61 61 ALA C C 61 175.076 175.245 -0.169 1
1 703 . 1 1 1 A 62 62 ALA N N 62 121.362 120.686 0.676 1
1 704 . 1 1 1 A 62 62 ALA H H 62 8.488 8.378 0.110 1
1 705 . 1 1 1 A 62 62 ALA CA C 62 51.309 51.321 -0.012 1
1 706 . 1 1 1 A 62 62 ALA HA H 62 4.667 5.085 -0.418 1
1 707 . 1 1 1 A 62 62 ALA CB C 62 22.617 22.747 -0.130 1
1 711 . 1 1 1 A 62 62 ALA C C 62 176.013 176.080 -0.067 1
1 712 . 1 1 1 A 63 63 VAL N N 63 113.572 115.263 -1.691 1
1 713 . 1 1 1 A 63 63 VAL H H 63 8.271 8.716 -0.445 1
1 714 . 1 1 1 A 63 63 VAL CA C 63 57.691 57.796 -0.105 1
1 715 . 1 1 1 A 63 63 VAL HA H 63 5.045 4.957 0.088 1
1 716 . 1 1 1 A 63 63 VAL CB C 63 32.968 34.427 -1.459 1
1 726 . 1 1 1 A 63 63 VAL C C 63 173.707 173.213 0.494 1
1 727 . 1 1 1 A 64 64 PRO CA C 64 62.757 62.597 0.160 1
1 728 . 1 1 1 A 64 64 PRO HA H 64 4.459 4.638 -0.179 1
1 729 . 1 1 1 A 64 64 PRO CB C 64 32.728 32.555 0.173 1
1 735 . 1 1 1 A 64 64 PRO C C 64 176.348 177.691 -1.343 1
1 739 . 1 1 1 A 65 65 LYS N N 65 118.624 123.871 -5.247 1
1 740 . 1 1 1 A 65 65 LYS H H 65 8.323 8.538 -0.215 1
1 741 . 1 1 1 A 65 65 LYS CA C 65 58.516 60.073 -1.557 1
1 742 . 1 1 1 A 65 65 LYS HA H 65 4.183 3.880 0.303 1
1 743 . 1 1 1 A 65 65 LYS CB C 65 32.320 32.290 0.030 1
1 751 . 1 1 1 A 65 65 LYS C C 65 176.595 178.391 -1.796 1
1 756 . 1 1 1 A 66 66 SER N N 66 111.762 113.847 -2.085 1
1 757 . 1 1 1 A 66 66 SER H H 66 7.779 8.346 -0.567 1
1 758 . 1 1 1 A 66 66 SER CA C 66 59.298 61.752 -2.454 1
1 759 . 1 1 1 A 66 66 SER HA H 66 4.234 4.251 -0.017 1
1 760 . 1 1 1 A 66 66 SER CB C 66 62.984 62.915 0.069 1
1 762 . 1 1 1 A 66 66 SER C C 66 174.137 174.986 -0.849 1
1 764 . 1 1 1 A 67 67 LEU N N 67 124.569 120.678 3.891 1
1 765 . 1 1 1 A 67 67 LEU H H 67 8.109 8.072 0.037 1
1 766 . 1 1 1 A 67 67 LEU CA C 67 54.940 53.152 1.788 1
1 767 . 1 1 1 A 67 67 LEU HA H 67 4.836 4.943 -0.107 1
1 768 . 1 1 1 A 67 67 LEU CB C 67 43.882 44.184 -0.302 1
1 780 . 1 1 1 A 67 67 LEU C C 67 174.925 175.782 -0.857 1
1 782 . 1 1 1 A 68 68 GLN N N 68 117.163 121.109 -3.946 1
1 783 . 1 1 1 A 68 68 GLN H H 68 8.063 8.679 -0.616 1
1 784 . 1 1 1 A 68 68 GLN CA C 68 54.829 54.066 0.763 1
1 785 . 1 1 1 A 68 68 GLN HA H 68 4.674 5.133 -0.459 1
1 786 . 1 1 1 A 68 68 GLN CB C 68 31.579 32.511 -0.932 1
1 793 . 1 1 1 A 68 68 GLN C C 68 174.077 173.726 0.351 1
1 796 . 1 1 1 A 69 69 LEU N N 69 126.046 123.440 2.606 1
1 797 . 1 1 1 A 69 69 LEU H H 69 8.676 8.851 -0.175 1
1 798 . 1 1 1 A 69 69 LEU CA C 69 54.073 54.038 0.035 1
1 799 . 1 1 1 A 69 69 LEU HA H 69 5.231 5.280 -0.049 1
1 800 . 1 1 1 A 69 69 LEU CB C 69 45.602 46.163 -0.561 1
1 811 . 1 1 1 A 69 69 LEU C C 69 175.497 174.093 1.404 1
1 813 . 1 1 1 A 70 70 GLN N N 70 126.758 126.284 0.474 1
1 814 . 1 1 1 A 70 70 GLN H H 70 9.410 8.701 0.709 1
1 815 . 1 1 1 A 70 70 GLN CA C 70 54.657 54.321 0.336 1
1 816 . 1 1 1 A 70 70 GLN HA H 70 4.746 5.057 -0.311 1
1 817 . 1 1 1 A 70 70 GLN CB C 70 31.537 31.858 -0.321 1
1 824 . 1 1 1 A 70 70 GLN C C 70 174.686 174.195 0.491 1
1 827 . 1 1 1 A 71 71 LEU N N 71 126.413 128.537 -2.124 1
1 828 . 1 1 1 A 71 71 LEU H H 71 8.936 8.738 0.198 1
1 829 . 1 1 1 A 71 71 LEU CA C 71 55.294 54.182 1.112 1
1 830 . 1 1 1 A 71 71 LEU HA H 71 4.752 4.645 0.107 1
1 831 . 1 1 1 A 71 71 LEU CB C 71 43.898 43.318 0.580 1
1 843 . 1 1 1 A 71 71 LEU C C 71 176.498 175.328 1.170 1
1 845 . 1 1 1 A 72 72 GLN N N 72 121.553 127.423 -5.870 1
1 846 . 1 1 1 A 72 72 GLN H H 72 8.100 7.989 0.111 1
1 847 . 1 1 1 A 72 72 GLN CA C 72 54.209 55.136 -0.927 1
1 848 . 1 1 1 A 72 72 GLN HA H 72 4.589 4.344 0.245 1
1 849 . 1 1 1 A 72 72 GLN CB C 72 31.142 29.906 1.236 1
1 856 . 1 1 1 A 72 72 GLN C C 72 174.254 175.877 -1.623 1
1 859 . 1 1 1 A 73 73 ALA N N 73 124.262 127.394 -3.132 1
1 860 . 1 1 1 A 73 73 ALA H H 73 8.452 8.447 0.005 1
1 861 . 1 1 1 A 73 73 ALA CA C 73 51.211 50.720 0.491 1
1 862 . 1 1 1 A 73 73 ALA HA H 73 4.500 4.241 0.259 1
1 863 . 1 1 1 A 73 73 ALA CB C 73 17.185 18.333 -1.148 1
1 867 . 1 1 1 A 73 73 ALA C C 73 176.548 175.874 0.674 1
1 868 . 1 1 1 A 74 74 PRO CA C 74 62.160 62.311 -0.151 1
1 869 . 1 1 1 A 74 74 PRO HA H 74 4.848 4.594 0.254 1
1 870 . 1 1 1 A 74 74 PRO CB C 74 32.897 33.241 -0.344 1
1 874 . 1 1 1 A 74 74 PRO C C 74 177.266 176.313 0.953 1
1 878 . 1 1 1 A 75 75 SER N N 75 115.398 115.075 0.323 1
1 879 . 1 1 1 A 75 75 SER H H 75 9.293 8.786 0.507 1
1 880 . 1 1 1 A 75 75 SER CA C 75 61.024 58.526 2.498 1
1 881 . 1 1 1 A 75 75 SER HA H 75 4.154 4.582 -0.428 1
1 882 . 1 1 1 A 75 75 SER CB C 75 62.867 65.316 -2.449 1
1 884 . 1 1 1 A 75 75 SER C C 75 174.460 173.787 0.673 1
1 886 . 1 1 1 A 76 76 GLY N N 76 106.233 107.563 -1.330 1
1 887 . 1 1 1 A 76 76 GLY H H 76 7.208 7.220 -0.012 1
1 888 . 1 1 1 A 76 76 GLY CA C 76 44.930 45.903 -0.973 1
1 889 . 1 1 1 A 76 76 GLY HA3 H 76 4.306 4.010 0.296 1
1 890 . 1 1 1 A 76 76 GLY C C 76 171.327 172.726 -1.399 1
1 891 . 1 1 1 A 76 76 GLY HA2 H 76 4.095 4.001 0.094 1
1 892 . 1 1 1 A 77 77 ASN CA C 77 53.060 52.813 0.247 1
1 893 . 1 1 1 A 77 77 ASN HA H 77 5.001 4.884 0.117 1
1 894 . 1 1 1 A 77 77 ASN CB C 77 40.650 37.124 3.526 1
1 899 . 1 1 1 A 77 77 ASN C C 77 173.427 173.363 0.064 1
1 901 . 1 1 1 A 78 78 THR N N 78 114.705 114.610 0.095 1
1 902 . 1 1 1 A 78 78 THR H H 78 7.579 7.434 0.145 1
1 903 . 1 1 1 A 78 78 THR CA C 78 59.766 61.083 -1.317 1
1 904 . 1 1 1 A 78 78 THR HA H 78 5.174 4.955 0.219 1
1 905 . 1 1 1 A 78 78 THR CB C 78 71.855 71.767 0.088 1
1 911 . 1 1 1 A 78 78 THR C C 78 173.138 173.106 0.032 1
1 912 . 1 1 1 A 79 79 VAL N N 79 123.606 125.727 -2.121 1
1 913 . 1 1 1 A 79 79 VAL H H 79 8.696 9.118 -0.422 1
1 914 . 1 1 1 A 79 79 VAL CA C 79 58.982 58.770 0.212 1
1 915 . 1 1 1 A 79 79 VAL HA H 79 4.495 4.484 0.011 1
1 916 . 1 1 1 A 79 79 VAL CB C 79 32.717 35.064 -2.347 1
1 926 . 1 1 1 A 79 79 VAL C C 79 174.289 174.024 0.265 1
1 927 . 1 1 1 A 80 80 PRO CA C 80 63.184 62.353 0.831 1
1 928 . 1 1 1 A 80 80 PRO HA H 80 4.160 4.773 -0.613 1
1 929 . 1 1 1 A 80 80 PRO CB C 80 33.128 32.067 1.061 1
1 935 . 1 1 1 A 80 80 PRO C C 80 174.009 177.087 -3.078 1
1 939 . 1 1 1 A 81 81 ALA N N 81 120.000 126.124 -6.124 1
1 940 . 1 1 1 A 81 81 ALA H H 81 8.371 8.644 -0.273 1
1 941 . 1 1 1 A 81 81 ALA CA C 81 51.951 53.018 -1.067 1
1 942 . 1 1 1 A 81 81 ALA HA H 81 3.715 4.516 -0.801 1
1 943 . 1 1 1 A 81 81 ALA CB C 81 20.029 19.239 0.790 1
1 947 . 1 1 1 A 81 81 ALA C C 81 176.740 177.719 -0.979 1
1 948 . 1 1 1 A 82 82 ARG N N 82 111.901 117.938 -6.037 1
1 949 . 1 1 1 A 82 82 ARG H H 82 8.724 7.682 1.042 1
1 950 . 1 1 1 A 82 82 ARG CA C 82 57.062 55.216 1.846 1
1 951 . 1 1 1 A 82 82 ARG HA H 82 3.665 4.553 -0.888 1
1 952 . 1 1 1 A 82 82 ARG CB C 82 26.959 30.511 -3.552 1
1 958 . 1 1 1 A 82 82 ARG C C 82 176.777 175.938 0.839 1
1 962 . 1 1 1 A 83 83 GLY N N 83 107.610 109.256 -1.646 1
1 963 . 1 1 1 A 83 83 GLY H H 83 9.251 7.994 1.257 1
1 964 . 1 1 1 A 83 83 GLY CA C 83 46.389 47.002 -0.613 1
1 965 . 1 1 1 A 83 83 GLY HA3 H 83 3.731 4.074 -0.343 1
1 966 . 1 1 1 A 83 83 GLY C C 83 176.193 174.816 1.377 1
1 967 . 1 1 1 A 83 83 GLY HA2 H 83 3.352 3.962 -0.610 1
1 968 . 1 1 1 A 84 84 GLY N N 84 106.030 107.883 -1.853 1
1 969 . 1 1 1 A 84 84 GLY H H 84 7.015 8.056 -1.041 1
1 970 . 1 1 1 A 84 84 GLY CA C 84 45.272 44.245 1.027 1
1 971 . 1 1 1 A 84 84 GLY HA3 H 84 3.537 4.002 -0.465 1
1 972 . 1 1 1 A 84 84 GLY C C 84 171.651 173.408 -1.757 1
1 973 . 1 1 1 A 84 84 GLY HA2 H 84 3.891 3.982 -0.091 1
1 974 . 1 1 1 A 85 85 LEU N N 85 120.524 122.200 -1.676 1
1 975 . 1 1 1 A 85 85 LEU H H 85 7.903 8.288 -0.385 1
1 976 . 1 1 1 A 85 85 LEU CA C 85 53.494 50.891 2.603 1
1 977 . 1 1 1 A 85 85 LEU HA H 85 4.346 4.820 -0.474 1
1 978 . 1 1 1 A 85 85 LEU CB C 85 42.901 44.382 -1.481 1
1 990 . 1 1 1 A 85 85 LEU C C 85 174.362 174.923 -0.561 1
1 992 . 1 1 1 A 86 86 PRO CA C 86 62.752 62.183 0.569 1
1 993 . 1 1 1 A 86 86 PRO HA H 86 4.570 4.510 0.060 1
1 994 . 1 1 1 A 86 86 PRO CB C 86 33.557 32.448 1.109 1
1 1000 . 1 1 1 A 86 86 PRO C C 86 178.338 175.949 2.389 1
1 1004 . 1 1 1 A 87 87 ILE N N 87 118.504 121.904 -3.400 1
1 1005 . 1 1 1 A 87 87 ILE H H 87 7.544 8.433 -0.889 1
1 1006 . 1 1 1 A 87 87 ILE CA C 87 60.571 60.986 -0.415 1
1 1007 . 1 1 1 A 87 87 ILE HA H 87 4.021 4.466 -0.445 1
1 1008 . 1 1 1 A 87 87 ILE CB C 87 40.787 38.850 1.937 1
1 1020 . 1 1 1 A 87 87 ILE C C 87 175.620 175.679 -0.059 1
1 1022 . 1 1 1 A 88 88 THR N N 88 115.839 116.575 -0.736 1
1 1023 . 1 1 1 A 88 88 THR H H 88 8.788 8.981 -0.193 1
1 1024 . 1 1 1 A 88 88 THR CA C 88 58.935 60.049 -1.114 1
1 1025 . 1 1 1 A 88 88 THR HA H 88 5.678 5.596 0.082 1
1 1026 . 1 1 1 A 88 88 THR CB C 88 72.532 71.388 1.144 1
1 1032 . 1 1 1 A 88 88 THR C C 88 174.318 173.532 0.786 1
1 1033 . 1 1 1 A 89 89 GLN N N 89 121.295 121.292 0.003 1
1 1034 . 1 1 1 A 89 89 GLN H H 89 8.399 8.908 -0.509 1
1 1035 . 1 1 1 A 89 89 GLN CA C 89 56.259 54.226 2.033 1
1 1036 . 1 1 1 A 89 89 GLN HA H 89 4.528 4.906 -0.378 1
1 1037 . 1 1 1 A 89 89 GLN CB C 89 30.760 32.222 -1.462 1
1 1044 . 1 1 1 A 89 89 GLN C C 89 172.439 174.165 -1.726 1
1 1047 . 1 1 1 A 90 90 LEU N N 90 129.715 126.213 3.502 1
1 1048 . 1 1 1 A 90 90 LEU H H 90 8.426 8.269 0.157 1
1 1049 . 1 1 1 A 90 90 LEU CA C 90 54.513 54.093 0.420 1
1 1050 . 1 1 1 A 90 90 LEU HA H 90 5.103 4.770 0.333 1
1 1051 . 1 1 1 A 90 90 LEU CB C 90 44.412 44.120 0.292 1
1 1063 . 1 1 1 A 90 90 LEU C C 90 175.027 174.413 0.614 1
1 1065 . 1 1 1 A 91 91 PHE N N 91 123.227 124.298 -1.071 1
1 1066 . 1 1 1 A 91 91 PHE H H 91 9.647 8.716 0.931 1
1 1067 . 1 1 1 A 91 91 PHE CA C 91 55.327 56.338 -1.011 1
1 1068 . 1 1 1 A 91 91 PHE HA H 91 5.064 5.450 -0.386 1
1 1069 . 1 1 1 A 91 91 PHE CB C 91 40.899 42.266 -1.367 1
1 1081 . 1 1 1 A 91 91 PHE C C 91 174.296 174.683 -0.387 1
1 1083 . 1 1 1 A 92 92 ARG N N 92 121.174 123.676 -2.502 1
1 1084 . 1 1 1 A 92 92 ARG H H 92 8.726 8.900 -0.174 1
1 1085 . 1 1 1 A 92 92 ARG CA C 92 55.046 55.593 -0.547 1
1 1086 . 1 1 1 A 92 92 ARG HA H 92 5.109 4.898 0.211 1
1 1087 . 1 1 1 A 92 92 ARG CB C 92 32.524 31.828 0.696 1
1 1093 . 1 1 1 A 92 92 ARG C C 92 175.154 175.843 -0.689 1
1 1097 . 1 1 1 A 93 93 ILE N N 93 126.629 124.176 2.453 1
1 1098 . 1 1 1 A 93 93 ILE H H 93 9.599 8.835 0.764 1
1 1099 . 1 1 1 A 93 93 ILE CA C 93 59.538 60.083 -0.545 1
1 1100 . 1 1 1 A 93 93 ILE HA H 93 5.206 5.323 -0.117 1
1 1101 . 1 1 1 A 93 93 ILE CB C 93 40.963 42.697 -1.734 1
1 1113 . 1 1 1 A 93 93 ILE C C 93 174.400 174.678 -0.278 1
1 1115 . 1 1 1 A 94 94 LEU N N 94 127.940 127.419 0.521 1
1 1116 . 1 1 1 A 94 94 LEU H H 94 8.853 8.932 -0.079 1
1 1117 . 1 1 1 A 94 94 LEU CA C 94 53.673 53.355 0.318 1
1 1118 . 1 1 1 A 94 94 LEU HA H 94 5.152 5.147 0.005 1
1 1119 . 1 1 1 A 94 94 LEU CB C 94 44.245 42.682 1.563 1
1 1131 . 1 1 1 A 94 94 LEU C C 94 176.106 175.794 0.312 1
1 1133 . 1 1 1 A 95 95 ASN N N 95 119.567 122.844 -3.277 1
1 1134 . 1 1 1 A 95 95 ASN H H 95 9.271 8.740 0.531 1
1 1135 . 1 1 1 A 95 95 ASN CA C 95 49.634 50.731 -1.097 1
1 1136 . 1 1 1 A 95 95 ASN HA H 95 5.361 5.274 0.087 1
1 1137 . 1 1 1 A 95 95 ASN CB C 95 39.189 39.162 0.027 1
1 1142 . 1 1 1 A 95 95 ASN C C 95 173.779 173.909 -0.130 1
1 1144 . 1 1 1 A 96 96 PRO CA C 96 64.795 64.467 0.328 1
1 1145 . 1 1 1 A 96 96 PRO HA H 96 4.306 4.473 -0.167 1
1 1146 . 1 1 1 A 96 96 PRO CB C 96 32.010 31.941 0.069 1
1 1152 . 1 1 1 A 96 96 PRO C C 96 177.656 177.448 0.208 1
1 1156 . 1 1 1 A 97 97 ASN N N 97 114.343 114.837 -0.494 1
1 1157 . 1 1 1 A 97 97 ASN H H 97 8.840 7.906 0.934 1
1 1158 . 1 1 1 A 97 97 ASN CA C 97 52.889 52.893 -0.004 1
1 1159 . 1 1 1 A 97 97 ASN HA H 97 4.828 4.794 0.034 1
1 1160 . 1 1 1 A 97 97 ASN CB C 97 38.085 38.590 -0.505 1
1 1165 . 1 1 1 A 97 97 ASN C C 97 174.361 174.498 -0.137 1
1 1167 . 1 1 1 A 98 98 LYS N N 98 118.175 115.955 2.220 1
1 1168 . 1 1 1 A 98 98 LYS H H 98 7.735 7.549 0.186 1
1 1169 . 1 1 1 A 98 98 LYS CA C 98 57.625 57.242 0.383 1
1 1170 . 1 1 1 A 98 98 LYS HA H 98 3.780 3.871 -0.091 1
1 1171 . 1 1 1 A 98 98 LYS CB C 98 29.343 29.286 0.057 1
1 1179 . 1 1 1 A 98 98 LYS C C 98 174.779 174.760 0.019 1
1 1184 . 1 1 1 A 99 99 ALA N N 99 122.321 121.331 0.990 1
1 1185 . 1 1 1 A 99 99 ALA H H 99 8.454 7.837 0.617 1
1 1186 . 1 1 1 A 99 99 ALA CA C 99 49.893 48.862 1.031 1
1 1187 . 1 1 1 A 99 99 ALA HA H 99 4.415 4.670 -0.255 1
1 1188 . 1 1 1 A 99 99 ALA CB C 99 18.125 20.338 -2.213 1
1 1192 . 1 1 1 A 99 99 ALA C C 99 175.018 176.219 -1.201 1
1 1193 . 1 1 1 A 100 100 PRO CA C 100 62.082 62.118 -0.036 1
1 1194 . 1 1 1 A 100 100 PRO CB C 100 31.068 28.922 2.146 1
1 1203 . 1 1 1 A 101 101 LEU H H 101 5.223 8.309 -3.086 1
1 1204 . 1 1 1 A 101 101 LEU CA C 101 55.181 53.512 1.669 1
1 1205 . 1 1 1 A 101 101 LEU HA H 101 3.758 4.758 -1.000 1
1 1206 . 1 1 1 A 101 101 LEU CB C 101 43.103 42.628 0.475 1
1 1218 . 1 1 1 A 101 101 LEU C C 101 174.350 176.474 -2.124 1
1 1220 . 1 1 1 A 102 102 ARG N N 102 122.304 118.136 4.168 1
1 1221 . 1 1 1 A 102 102 ARG H H 102 6.412 8.715 -2.303 1
1 1222 . 1 1 1 A 102 102 ARG CA C 102 54.659 54.315 0.344 1
1 1223 . 1 1 1 A 102 102 ARG HA H 102 4.500 5.094 -0.594 1
1 1224 . 1 1 1 A 102 102 ARG CB C 102 33.168 32.979 0.189 1
1 1230 . 1 1 1 A 102 102 ARG C C 102 173.625 174.415 -0.790 1
1 1234 . 1 1 1 A 103 103 LEU N N 103 119.849 121.925 -2.076 1
1 1235 . 1 1 1 A 103 103 LEU H H 103 8.301 8.820 -0.519 1
1 1236 . 1 1 1 A 103 103 LEU CA C 103 53.667 53.901 -0.234 1
1 1237 . 1 1 1 A 103 103 LEU HA H 103 4.886 5.045 -0.159 1
1 1238 . 1 1 1 A 103 103 LEU CB C 103 47.097 46.231 0.866 1
1 1250 . 1 1 1 A 103 103 LEU C C 103 173.874 173.745 0.129 1
1 1252 . 1 1 1 A 104 104 LYS N N 104 126.165 128.686 -2.521 1
1 1253 . 1 1 1 A 104 104 LYS H H 104 8.516 8.882 -0.366 1
1 1254 . 1 1 1 A 104 104 LYS CA C 104 55.117 55.126 -0.009 1
1 1255 . 1 1 1 A 104 104 LYS HA H 104 4.773 4.840 -0.067 1
1 1256 . 1 1 1 A 104 104 LYS CB C 104 34.581 33.812 0.769 1
1 1264 . 1 1 1 A 104 104 LYS C C 104 174.980 174.600 0.380 1
1 1269 . 1 1 1 A 105 105 LEU N N 105 125.172 126.987 -1.815 1
1 1270 . 1 1 1 A 105 105 LEU H H 105 8.586 8.995 -0.409 1
1 1271 . 1 1 1 A 105 105 LEU CA C 105 53.059 53.584 -0.525 1
1 1272 . 1 1 1 A 105 105 LEU HA H 105 4.923 4.696 0.227 1
1 1273 . 1 1 1 A 105 105 LEU CB C 105 44.358 43.649 0.709 1
1 1285 . 1 1 1 A 105 105 LEU C C 105 174.037 174.581 -0.544 1
1 1287 . 1 1 1 A 106 106 ARG N N 106 119.880 126.195 -6.315 1
1 1288 . 1 1 1 A 106 106 ARG H H 106 8.363 9.284 -0.921 1
1 1289 . 1 1 1 A 106 106 ARG CA C 106 54.374 54.792 -0.418 1
1 1290 . 1 1 1 A 106 106 ARG HA H 106 4.926 4.826 0.100 1
1 1291 . 1 1 1 A 106 106 ARG CB C 106 32.783 32.141 0.642 1
1 1297 . 1 1 1 A 106 106 ARG C C 106 174.611 174.926 -0.315 1
1 1301 . 1 1 1 A 107 107 LEU N N 107 128.498 128.142 0.356 1
1 1302 . 1 1 1 A 107 107 LEU H H 107 9.260 8.699 0.561 1
1 1303 . 1 1 1 A 107 107 LEU CA C 107 52.942 53.469 -0.527 1
1 1304 . 1 1 1 A 107 107 LEU HA H 107 5.110 5.104 0.006 1
1 1305 . 1 1 1 A 107 107 LEU CB C 107 45.279 44.737 0.542 1
1 1317 . 1 1 1 A 107 107 LEU C C 107 175.494 175.883 -0.389 1
1 1319 . 1 1 1 A 108 108 THR N N 108 114.947 115.876 -0.929 1
1 1320 . 1 1 1 A 108 108 THR H H 108 8.424 8.641 -0.217 1
1 1321 . 1 1 1 A 108 108 THR CA C 108 59.201 60.532 -1.331 1
1 1322 . 1 1 1 A 108 108 THR HA H 108 5.344 5.302 0.042 1
1 1323 . 1 1 1 A 108 108 THR CB C 108 71.413 71.352 0.061 1
1 1329 . 1 1 1 A 108 108 THR C C 108 172.424 172.948 -0.524 1
1 1330 . 1 1 1 A 109 109 TYR N N 109 114.691 120.239 -5.548 1
1 1331 . 1 1 1 A 109 109 TYR H H 109 8.056 8.664 -0.608 1
1 1332 . 1 1 1 A 109 109 TYR CA C 109 57.133 55.958 1.175 1
1 1333 . 1 1 1 A 109 109 TYR HA H 109 4.769 5.229 -0.460 1
1 1334 . 1 1 1 A 109 109 TYR CB C 109 38.008 40.647 -2.639 1
1 1344 . 1 1 1 A 109 109 TYR C C 109 171.790 171.934 -0.144 1
1 1346 . 1 1 1 A 110 110 ASP N N 110 119.179 120.586 -1.407 1
1 1347 . 1 1 1 A 110 110 ASP H H 110 9.332 8.963 0.369 1
1 1348 . 1 1 1 A 110 110 ASP CA C 110 53.147 53.069 0.078 1
1 1349 . 1 1 1 A 110 110 ASP HA H 110 5.855 5.741 0.114 1
1 1350 . 1 1 1 A 110 110 ASP CB C 110 42.179 44.636 -2.457 1
1 1352 . 1 1 1 A 110 110 ASP C C 110 176.257 174.264 1.993 1
1 1354 . 1 1 1 A 111 111 HIS N N 111 122.092 126.162 -4.070 1
1 1355 . 1 1 1 A 111 111 HIS H H 111 8.993 9.292 -0.299 1
1 1356 . 1 1 1 A 111 111 HIS CA C 111 55.365 55.680 -0.315 1
1 1357 . 1 1 1 A 111 111 HIS HA H 111 4.768 5.095 -0.327 1
1 1358 . 1 1 1 A 111 111 HIS CB C 111 36.414 33.434 2.980 1
1 1364 . 1 1 1 A 111 111 HIS C C 111 175.420 174.653 0.767 1
1 1366 . 1 1 1 A 112 112 PHE N N 112 129.361 125.634 3.727 1
1 1367 . 1 1 1 A 112 112 PHE H H 112 10.128 9.667 0.461 1
1 1368 . 1 1 1 A 112 112 PHE CA C 112 59.353 58.849 0.504 1
1 1369 . 1 1 1 A 112 112 PHE HA H 112 3.972 4.205 -0.233 1
1 1370 . 1 1 1 A 112 112 PHE CB C 112 36.136 36.699 -0.563 1
1 1382 . 1 1 1 A 112 112 PHE C C 112 175.288 175.186 0.102 1
1 1384 . 1 1 1 A 113 113 HIS N N 113 109.753 109.099 0.654 1
1 1385 . 1 1 1 A 113 113 HIS H H 113 8.856 8.419 0.437 1
1 1386 . 1 1 1 A 113 113 HIS CA C 113 57.593 56.623 0.970 1
1 1387 . 1 1 1 A 113 113 HIS HA H 113 4.168 4.159 0.009 1
1 1388 . 1 1 1 A 113 113 HIS CB C 113 27.575 26.920 0.655 1
1 1394 . 1 1 1 A 113 113 HIS C C 113 174.146 173.881 0.265 1
1 1396 . 1 1 1 A 114 114 GLN N N 114 118.510 116.584 1.926 1
1 1397 . 1 1 1 A 114 114 GLN H H 114 7.930 7.720 0.210 1
1 1398 . 1 1 1 A 114 114 GLN CA C 114 54.303 54.143 0.160 1
1 1399 . 1 1 1 A 114 114 GLN HA H 114 4.674 4.835 -0.161 1
1 1400 . 1 1 1 A 114 114 GLN CB C 114 31.548 33.220 -1.672 1
1 1407 . 1 1 1 A 114 114 GLN C C 114 174.702 174.614 0.088 1
1 1410 . 1 1 1 A 115 115 SER N N 115 118.183 118.551 -0.368 1
1 1411 . 1 1 1 A 115 115 SER H H 115 8.528 8.725 -0.197 1
1 1412 . 1 1 1 A 115 115 SER CA C 115 57.665 58.956 -1.291 1
1 1413 . 1 1 1 A 115 115 SER HA H 115 5.112 4.835 0.277 1
1 1414 . 1 1 1 A 115 115 SER CB C 115 63.266 63.852 -0.586 1
1 1416 . 1 1 1 A 115 115 SER C C 115 174.157 173.882 0.275 1
1 1418 . 1 1 1 A 116 116 VAL N N 116 130.788 127.000 3.788 1
1 1419 . 1 1 1 A 116 116 VAL H H 116 9.445 8.971 0.474 1
1 1420 . 1 1 1 A 116 116 VAL CA C 116 62.375 61.184 1.191 1
1 1421 . 1 1 1 A 116 116 VAL HA H 116 3.870 4.423 -0.553 1
1 1422 . 1 1 1 A 116 116 VAL CB C 116 32.564 32.696 -0.132 1
1 1432 . 1 1 1 A 116 116 VAL C C 116 175.674 174.058 1.616 1
1 1433 . 1 1 1 A 117 117 GLN N N 117 127.278 129.592 -2.314 1
1 1434 . 1 1 1 A 117 117 GLN H H 117 8.612 9.049 -0.437 1
1 1435 . 1 1 1 A 117 117 GLN CA C 117 55.004 54.149 0.855 1
1 1436 . 1 1 1 A 117 117 GLN HA H 117 5.170 5.117 0.053 1
1 1437 . 1 1 1 A 117 117 GLN CB C 117 31.166 31.764 -0.598 1
1 1444 . 1 1 1 A 117 117 GLN C C 117 174.229 174.646 -0.417 1
1 1447 . 1 1 1 A 118 118 GLU N N 118 125.633 125.073 0.560 1
1 1448 . 1 1 1 A 118 118 GLU H H 118 8.960 8.647 0.313 1
1 1449 . 1 1 1 A 118 118 GLU CA C 118 54.799 55.258 -0.459 1
1 1450 . 1 1 1 A 118 118 GLU HA H 118 4.869 5.183 -0.314 1
1 1451 . 1 1 1 A 118 118 GLU CB C 118 33.675 32.976 0.699 1
1 1455 . 1 1 1 A 118 118 GLU C C 118 174.340 175.281 -0.941 1
1 1458 . 1 1 1 A 119 119 ILE N N 119 123.525 124.860 -1.335 1
1 1459 . 1 1 1 A 119 119 ILE H H 119 8.683 9.061 -0.378 1
1 1460 . 1 1 1 A 119 119 ILE CA C 119 60.005 59.938 0.067 1
1 1461 . 1 1 1 A 119 119 ILE HA H 119 5.157 4.787 0.370 1
1 1462 . 1 1 1 A 119 119 ILE CB C 119 40.761 39.818 0.943 1
1 1474 . 1 1 1 A 119 119 ILE C C 119 175.386 175.315 0.071 1
1 1476 . 1 1 1 A 120 120 PHE N N 120 122.954 123.532 -0.578 1
1 1477 . 1 1 1 A 120 120 PHE H H 120 8.647 8.252 0.395 1
1 1478 . 1 1 1 A 120 120 PHE CA C 120 55.754 55.386 0.368 1
1 1479 . 1 1 1 A 120 120 PHE HA H 120 5.064 5.438 -0.374 1
1 1480 . 1 1 1 A 120 120 PHE CB C 120 39.904 42.569 -2.665 1
1 1492 . 1 1 1 A 120 120 PHE C C 120 172.536 172.526 0.010 1
1 1494 . 1 1 1 A 121 121 GLU N N 121 120.205 119.405 0.800 1
1 1495 . 1 1 1 A 121 121 GLU H H 121 8.807 8.760 0.047 1
1 1496 . 1 1 1 A 121 121 GLU CA C 121 54.976 55.330 -0.354 1
1 1497 . 1 1 1 A 121 121 GLU HA H 121 4.795 5.035 -0.240 1
1 1498 . 1 1 1 A 121 121 GLU CB C 121 31.537 32.300 -0.763 1
1 1502 . 1 1 1 A 121 121 GLU C C 121 175.979 175.811 0.168 1
1 1505 . 1 1 1 A 122 122 VAL N N 122 124.567 125.248 -0.681 1
1 1506 . 1 1 1 A 122 122 VAL H H 122 8.818 8.834 -0.016 1
1 1507 . 1 1 1 A 122 122 VAL CA C 122 62.536 63.452 -0.916 1
1 1508 . 1 1 1 A 122 122 VAL HA H 122 4.300 4.185 0.115 1
1 1509 . 1 1 1 A 122 122 VAL CB C 122 32.136 30.997 1.139 1
1 1519 . 1 1 1 A 122 122 VAL C C 122 175.324 176.745 -1.421 1
1 1520 . 1 1 1 A 123 123 ASN N N 123 125.013 122.215 2.798 1
1 1521 . 1 1 1 A 123 123 ASN H H 123 8.770 8.780 -0.010 1
1 1522 . 1 1 1 A 123 123 ASN CA C 123 52.889 52.550 0.339 1
1 1523 . 1 1 1 A 123 123 ASN HA H 123 5.072 4.970 0.102 1
1 1524 . 1 1 1 A 123 123 ASN CB C 123 40.114 38.581 1.533 1
1 1529 . 1 1 1 A 123 123 ASN C C 123 174.799 175.797 -0.998 1
1 1531 . 1 1 1 A 124 124 ASN N N 124 117.247 116.421 0.826 1
1 1532 . 1 1 1 A 124 124 ASN H H 124 8.599 8.409 0.190 1
1 1533 . 1 1 1 A 124 124 ASN CA C 124 52.853 52.358 0.495 1
1 1534 . 1 1 1 A 124 124 ASN HA H 124 4.721 4.775 -0.054 1
1 1535 . 1 1 1 A 124 124 ASN CB C 124 36.882 37.769 -0.887 1
1 1540 . 1 1 1 A 124 124 ASN C C 124 174.437 175.468 -1.031 1
1 1542 . 1 1 1 A 125 125 LEU N N 125 119.273 123.550 -4.277 1
1 1543 . 1 1 1 A 125 125 LEU H H 125 8.105 7.347 0.758 1
1 1544 . 1 1 1 A 125 125 LEU CA C 125 53.787 53.539 0.248 1
1 1545 . 1 1 1 A 125 125 LEU HA H 125 4.187 4.409 -0.222 1
1 1546 . 1 1 1 A 125 125 LEU CB C 125 40.398 41.042 -0.644 1
1 1558 . 1 1 1 A 125 125 LEU C C 125 175.528 174.623 0.905 1
1 1560 . 1 1 1 A 126 126 PRO CA C 126 62.439 62.480 -0.041 1
1 1561 . 1 1 1 A 126 126 PRO HA H 126 4.519 4.491 0.028 1
1 1562 . 1 1 1 A 126 126 PRO CB C 126 31.210 32.250 -1.040 1
1 1568 . 1 1 1 A 126 126 PRO C C 126 179.073 177.002 2.071 1
1 1572 . 1 1 1 A 127 127 VAL N N 127 124.759 122.737 2.022 1
1 1573 . 1 1 1 A 127 127 VAL H H 127 8.794 8.793 0.001 1
1 1574 . 1 1 1 A 127 127 VAL CA C 127 64.360 64.206 0.154 1
1 1575 . 1 1 1 A 127 127 VAL HA H 127 3.216 3.924 -0.708 1
1 1576 . 1 1 1 A 127 127 VAL CB C 127 30.825 31.908 -1.083 1
1 1586 . 1 1 1 A 127 127 VAL C C 127 176.789 177.112 -0.323 1
1 1587 . 1 1 1 A 128 128 GLU N N 128 119.892 121.128 -1.236 1
1 1588 . 1 1 1 A 128 128 GLU H H 128 9.460 8.438 1.022 1
1 1589 . 1 1 1 A 128 128 GLU CA C 128 59.216 59.456 -0.240 1
1 1590 . 1 1 1 A 128 128 GLU HA H 128 3.831 3.664 0.167 1
1 1591 . 1 1 1 A 128 128 GLU CB C 128 29.188 29.021 0.167 1
1 1595 . 1 1 1 A 128 128 GLU C C 128 177.624 178.233 -0.609 1
1 1598 . 1 1 1 A 129 129 SER N N 129 112.727 114.908 -2.181 1
1 1599 . 1 1 1 A 129 129 SER H H 129 8.057 8.093 -0.036 1
1 1600 . 1 1 1 A 129 129 SER CA C 129 61.024 61.173 -0.149 1
1 1601 . 1 1 1 A 129 129 SER HA H 129 3.925 4.139 -0.214 1
1 1602 . 1 1 1 A 129 129 SER CB C 129 64.440 62.368 2.072 1
1 1604 . 1 1 1 A 129 129 SER C C 129 173.147 176.417 -3.270 1
1 1606 . 1 1 1 A 130 130 TRP N N 130 117.092 120.567 -3.475 1
1 1607 . 1 1 1 A 130 130 TRP H H 130 7.184 8.129 -0.945 1
1 1608 . 1 1 1 A 130 130 TRP CA C 130 57.027 60.222 -3.195 1
1 1609 . 1 1 1 A 130 130 TRP HA H 130 4.974 4.404 0.570 1
1 1610 . 1 1 1 A 130 130 TRP CB C 130 31.384 29.140 2.244 1
1 1624 . 1 1 1 A 130 130 TRP C C 130 174.759 177.957 -3.198 1
1 1 . 2 1 1 A 6 6 SER CA C 6 58.371 59.837 -1.466 1
1 2 . 2 1 1 A 6 6 SER HA H 6 4.533 4.397 0.136 1
1 3 . 2 1 1 A 6 6 SER CB C 6 63.994 62.389 1.605 1
1 5 . 2 1 1 A 6 6 SER C C 6 174.472 173.884 0.588 1
1 7 . 2 1 1 A 7 7 GLY N N 7 110.741 113.366 -2.625 1
1 8 . 2 1 1 A 7 7 GLY H H 7 8.209 8.272 -0.063 1
1 9 . 2 1 1 A 7 7 GLY CA C 7 44.501 45.073 -0.572 1
1 10 . 2 1 1 A 7 7 GLY HA3 H 7 4.059 4.172 -0.113 1
1 11 . 2 1 1 A 7 7 GLY C C 7 171.084 171.479 -0.395 1
1 12 . 2 1 1 A 7 7 GLY HA2 H 7 4.155 4.171 -0.016 1
1 13 . 2 1 1 A 8 8 PRO CA C 8 61.515 62.058 -0.543 1
1 14 . 2 1 1 A 8 8 PRO HA H 8 4.713 4.635 0.078 1
1 15 . 2 1 1 A 8 8 PRO CB C 8 30.760 32.092 -1.332 1
1 24 . 2 1 1 A 9 9 PRO HA H 9 4.724 4.696 0.028 1
1 30 . 2 1 1 A 10 10 PRO CA C 10 62.761 62.438 0.323 1
1 31 . 2 1 1 A 10 10 PRO HA H 10 4.389 4.645 -0.256 1
1 32 . 2 1 1 A 10 10 PRO CB C 10 32.082 33.075 -0.993 1
1 37 . 2 1 1 A 10 10 PRO C C 10 176.236 175.332 0.904 1
1 41 . 2 1 1 A 11 11 ALA N N 11 125.926 121.396 4.530 1
1 42 . 2 1 1 A 11 11 ALA H H 11 8.352 8.224 0.128 1
1 43 . 2 1 1 A 11 11 ALA CA C 11 50.343 49.367 0.976 1
1 44 . 2 1 1 A 11 11 ALA HA H 11 4.583 4.806 -0.223 1
1 45 . 2 1 1 A 11 11 ALA CB C 11 18.255 20.253 -1.998 1
1 49 . 2 1 1 A 11 11 ALA C C 11 175.479 175.158 0.321 1
1 50 . 2 1 1 A 12 12 PRO CA C 12 62.757 62.206 0.551 1
1 51 . 2 1 1 A 12 12 PRO HA H 12 4.386 4.607 -0.221 1
1 52 . 2 1 1 A 12 12 PRO CB C 12 32.104 33.099 -0.995 1
1 57 . 2 1 1 A 12 12 PRO C C 12 176.478 175.484 0.994 1
1 61 . 2 1 1 A 13 13 ILE N N 13 124.607 121.231 3.376 1
1 62 . 2 1 1 A 13 13 ILE H H 13 8.661 8.428 0.233 1
1 63 . 2 1 1 A 13 13 ILE CA C 13 59.081 58.394 0.687 1
1 64 . 2 1 1 A 13 13 ILE HA H 13 4.288 4.435 -0.147 1
1 65 . 2 1 1 A 13 13 ILE CB C 13 39.710 38.348 1.362 1
1 77 . 2 1 1 A 13 13 ILE C C 13 174.727 174.744 -0.017 1
1 79 . 2 1 1 A 14 14 PRO CA C 14 63.433 62.283 1.150 1
1 80 . 2 1 1 A 14 14 PRO HA H 14 4.457 4.586 -0.129 1
1 81 . 2 1 1 A 14 14 PRO CB C 14 32.428 32.425 0.003 1
1 86 . 2 1 1 A 14 14 PRO C C 14 175.380 176.363 -0.983 1
1 90 . 2 1 1 A 15 15 ASP N N 15 118.741 119.966 -1.225 1
1 91 . 2 1 1 A 15 15 ASP H H 15 8.042 8.498 -0.456 1
1 92 . 2 1 1 A 15 15 ASP CA C 15 54.213 53.545 0.668 1
1 93 . 2 1 1 A 15 15 ASP HA H 15 5.064 4.813 0.251 1
1 94 . 2 1 1 A 15 15 ASP CB C 15 41.793 41.374 0.419 1
1 96 . 2 1 1 A 15 15 ASP C C 15 176.413 175.502 0.911 1
1 98 . 2 1 1 A 16 16 LEU N N 16 121.451 122.904 -1.453 1
1 99 . 2 1 1 A 16 16 LEU H H 16 9.016 8.592 0.424 1
1 100 . 2 1 1 A 16 16 LEU CA C 16 53.914 54.039 -0.125 1
1 101 . 2 1 1 A 16 16 LEU HA H 16 4.847 5.000 -0.153 1
1 102 . 2 1 1 A 16 16 LEU CB C 16 48.283 46.009 2.274 1
1 114 . 2 1 1 A 16 16 LEU C C 16 174.915 174.163 0.752 1
1 116 . 2 1 1 A 17 17 LYS N N 17 130.346 127.376 2.970 1
1 117 . 2 1 1 A 17 17 LYS H H 17 8.937 8.902 0.035 1
1 118 . 2 1 1 A 17 17 LYS CA C 17 57.027 56.447 0.580 1
1 119 . 2 1 1 A 17 17 LYS HA H 17 4.821 4.484 0.337 1
1 120 . 2 1 1 A 17 17 LYS CB C 17 31.991 33.114 -1.123 1
1 128 . 2 1 1 A 17 17 LYS C C 17 177.744 176.314 1.430 1
1 133 . 2 1 1 A 18 18 VAL N N 18 116.605 121.597 -4.992 1
1 134 . 2 1 1 A 18 18 VAL H H 18 8.228 8.331 -0.103 1
1 135 . 2 1 1 A 18 18 VAL CA C 18 60.586 61.858 -1.272 1
1 136 . 2 1 1 A 18 18 VAL HA H 18 4.807 4.342 0.465 1
1 137 . 2 1 1 A 18 18 VAL CB C 18 33.601 33.762 -0.161 1
1 147 . 2 1 1 A 18 18 VAL C C 18 174.118 175.486 -1.368 1
1 148 . 2 1 1 A 19 19 PHE N N 19 120.586 121.297 -0.711 1
1 149 . 2 1 1 A 19 19 PHE H H 19 7.429 7.531 -0.102 1
1 150 . 2 1 1 A 19 19 PHE CA C 19 57.947 57.083 0.864 1
1 151 . 2 1 1 A 19 19 PHE HA H 19 4.544 4.518 0.026 1
1 152 . 2 1 1 A 19 19 PHE CB C 19 43.455 42.388 1.067 1
1 162 . 2 1 1 A 19 19 PHE C C 19 172.947 172.950 -0.003 1
1 164 . 2 1 1 A 20 20 GLU N N 20 126.790 126.709 0.081 1
1 165 . 2 1 1 A 20 20 GLU H H 20 7.620 8.200 -0.580 1
1 166 . 2 1 1 A 20 20 GLU CA C 20 55.117 54.874 0.243 1
1 167 . 2 1 1 A 20 20 GLU HA H 20 5.059 4.777 0.282 1
1 168 . 2 1 1 A 20 20 GLU CB C 20 32.091 32.584 -0.493 1
1 172 . 2 1 1 A 20 20 GLU C C 20 174.073 173.978 0.095 1
1 175 . 2 1 1 A 21 21 ARG N N 21 125.153 126.200 -1.047 1
1 176 . 2 1 1 A 21 21 ARG H H 21 8.806 9.072 -0.266 1
1 177 . 2 1 1 A 21 21 ARG CA C 21 56.532 53.702 2.830 1
1 178 . 2 1 1 A 21 21 ARG HA H 21 4.234 4.804 -0.570 1
1 179 . 2 1 1 A 21 21 ARG CB C 21 33.707 33.659 0.048 1
1 185 . 2 1 1 A 21 21 ARG C C 21 176.293 177.031 -0.738 1
1 189 . 2 1 1 A 22 22 GLU N N 22 132.286 123.734 8.552 1
1 190 . 2 1 1 A 22 22 GLU H H 22 9.887 8.991 0.896 1
1 191 . 2 1 1 A 22 22 GLU CA C 22 57.271 58.495 -1.224 1
1 192 . 2 1 1 A 22 22 GLU HA H 22 3.968 4.129 -0.161 1
1 193 . 2 1 1 A 22 22 GLU CB C 22 28.595 28.964 -0.369 1
1 197 . 2 1 1 A 22 22 GLU C C 22 175.219 176.739 -1.520 1
1 200 . 2 1 1 A 23 23 GLY N N 23 103.445 107.973 -4.528 1
1 201 . 2 1 1 A 23 23 GLY H H 23 8.570 7.988 0.582 1
1 202 . 2 1 1 A 23 23 GLY CA C 23 45.698 45.965 -0.267 1
1 203 . 2 1 1 A 23 23 GLY HA3 H 23 4.242 4.254 -0.012 1
1 204 . 2 1 1 A 23 23 GLY C C 23 173.517 174.058 -0.541 1
1 205 . 2 1 1 A 23 23 GLY HA2 H 23 3.658 4.219 -0.561 1
1 206 . 2 1 1 A 24 24 VAL N N 24 124.489 119.413 5.076 1
1 207 . 2 1 1 A 24 24 VAL H H 24 8.016 7.688 0.328 1
1 208 . 2 1 1 A 24 24 VAL CA C 24 61.341 62.221 -0.880 1
1 209 . 2 1 1 A 24 24 VAL HA H 24 4.780 4.188 0.592 1
1 210 . 2 1 1 A 24 24 VAL CB C 24 32.051 33.061 -1.010 1
1 220 . 2 1 1 A 24 24 VAL C C 24 175.459 175.080 0.379 1
1 221 . 2 1 1 A 25 25 GLN N N 25 123.296 126.068 -2.772 1
1 222 . 2 1 1 A 25 25 GLN H H 25 8.446 8.686 -0.240 1
1 223 . 2 1 1 A 25 25 GLN CA C 25 53.879 54.544 -0.665 1
1 224 . 2 1 1 A 25 25 GLN HA H 25 5.378 5.203 0.175 1
1 225 . 2 1 1 A 25 25 GLN CB C 25 33.065 32.434 0.631 1
1 232 . 2 1 1 A 25 25 GLN C C 25 174.348 174.067 0.281 1
1 235 . 2 1 1 A 26 26 LEU N N 26 120.847 126.347 -5.500 1
1 236 . 2 1 1 A 26 26 LEU H H 26 8.579 9.194 -0.615 1
1 237 . 2 1 1 A 26 26 LEU CA C 26 53.914 53.595 0.319 1
1 238 . 2 1 1 A 26 26 LEU HA H 26 5.400 5.203 0.197 1
1 239 . 2 1 1 A 26 26 LEU CB C 26 47.336 45.973 1.363 1
1 251 . 2 1 1 A 26 26 LEU C C 26 174.842 175.012 -0.170 1
1 253 . 2 1 1 A 27 27 ASN N N 27 124.346 124.633 -0.287 1
1 254 . 2 1 1 A 27 27 ASN H H 27 8.738 8.926 -0.188 1
1 255 . 2 1 1 A 27 27 ASN CA C 27 52.063 51.702 0.361 1
1 256 . 2 1 1 A 27 27 ASN HA H 27 5.542 5.349 0.193 1
1 257 . 2 1 1 A 27 27 ASN CB C 27 43.866 41.909 1.957 1
1 262 . 2 1 1 A 27 27 ASN C C 27 173.520 173.495 0.025 1
1 264 . 2 1 1 A 28 28 LEU N N 28 124.198 125.149 -0.951 1
1 265 . 2 1 1 A 28 28 LEU H H 28 9.406 8.788 0.618 1
1 266 . 2 1 1 A 28 28 LEU CA C 28 53.773 53.238 0.535 1
1 267 . 2 1 1 A 28 28 LEU HA H 28 4.995 5.193 -0.198 1
1 268 . 2 1 1 A 28 28 LEU CB C 28 44.307 45.074 -0.767 1
1 280 . 2 1 1 A 28 28 LEU C C 28 174.670 174.453 0.217 1
1 282 . 2 1 1 A 29 29 SER N N 29 115.017 121.391 -6.374 1
1 283 . 2 1 1 A 29 29 SER H H 29 8.314 8.540 -0.226 1
1 284 . 2 1 1 A 29 29 SER CA C 29 56.340 56.398 -0.058 1
1 285 . 2 1 1 A 29 29 SER HA H 29 4.807 5.219 -0.412 1
1 286 . 2 1 1 A 29 29 SER CB C 29 65.926 65.080 0.846 1
1 288 . 2 1 1 A 29 29 SER C C 29 172.842 172.431 0.411 1
1 290 . 2 1 1 A 30 30 PHE N N 30 119.941 125.705 -5.764 1
1 291 . 2 1 1 A 30 30 PHE H H 30 9.366 9.141 0.225 1
1 292 . 2 1 1 A 30 30 PHE CA C 30 57.047 56.715 0.332 1
1 293 . 2 1 1 A 30 30 PHE HA H 30 5.374 5.240 0.134 1
1 294 . 2 1 1 A 30 30 PHE CB C 30 44.307 42.061 2.246 1
1 306 . 2 1 1 A 30 30 PHE C C 30 175.242 175.195 0.047 1
1 308 . 2 1 1 A 31 31 ILE N N 31 122.161 120.753 1.408 1
1 309 . 2 1 1 A 31 31 ILE H H 31 8.950 8.753 0.197 1
1 310 . 2 1 1 A 31 31 ILE CA C 31 60.680 60.283 0.397 1
1 311 . 2 1 1 A 31 31 ILE HA H 31 4.338 4.909 -0.571 1
1 312 . 2 1 1 A 31 31 ILE CB C 31 42.354 42.246 0.108 1
1 324 . 2 1 1 A 31 31 ILE C C 31 174.368 175.169 -0.801 1
1 326 . 2 1 1 A 32 32 ARG N N 32 128.976 127.031 1.945 1
1 327 . 2 1 1 A 32 32 ARG H H 32 8.773 8.838 -0.065 1
1 328 . 2 1 1 A 32 32 ARG CA C 32 51.444 52.572 -1.128 1
1 329 . 2 1 1 A 32 32 ARG HA H 32 5.263 4.837 0.426 1
1 330 . 2 1 1 A 32 32 ARG CB C 32 29.600 31.542 -1.942 1
1 338 . 2 1 1 A 32 32 ARG C C 32 173.585 173.874 -0.289 1
1 342 . 2 1 1 A 33 33 PRO CA C 33 60.759 61.828 -1.069 1
1 343 . 2 1 1 A 33 33 PRO HA H 33 4.581 4.688 -0.107 1
1 344 . 2 1 1 A 33 33 PRO CB C 33 32.219 32.381 -0.162 1
1 353 . 2 1 1 A 34 34 PRO CA C 34 64.464 65.256 -0.792 1
1 354 . 2 1 1 A 34 34 PRO HA H 34 4.236 4.220 0.016 1
1 355 . 2 1 1 A 34 34 PRO CB C 34 31.997 32.055 -0.058 1
1 361 . 2 1 1 A 34 34 PRO C C 34 178.240 178.561 -0.321 1
1 365 . 2 1 1 A 35 35 GLU N N 35 115.025 115.875 -0.850 1
1 366 . 2 1 1 A 35 35 GLU H H 35 9.287 8.902 0.385 1
1 367 . 2 1 1 A 35 35 GLU CA C 35 57.753 58.816 -1.063 1
1 368 . 2 1 1 A 35 35 GLU HA H 35 4.205 4.111 0.094 1
1 369 . 2 1 1 A 35 35 GLU CB C 35 28.595 28.777 -0.182 1
1 373 . 2 1 1 A 35 35 GLU C C 35 176.471 177.047 -0.576 1
1 376 . 2 1 1 A 36 36 ASN N N 36 114.302 118.060 -3.758 1
1 377 . 2 1 1 A 36 36 ASN H H 36 7.257 7.800 -0.543 1
1 378 . 2 1 1 A 36 36 ASN CA C 36 50.593 50.315 0.278 1
1 379 . 2 1 1 A 36 36 ASN HA H 36 5.024 5.183 -0.159 1
1 380 . 2 1 1 A 36 36 ASN CB C 36 39.094 39.038 0.056 1
1 385 . 2 1 1 A 36 36 ASN C C 36 172.128 173.446 -1.318 1
1 387 . 2 1 1 A 37 37 PRO CA C 37 64.287 64.839 -0.552 1
1 388 . 2 1 1 A 37 37 PRO HA H 37 4.600 4.367 0.233 1
1 389 . 2 1 1 A 37 37 PRO CB C 37 32.235 31.999 0.236 1
1 394 . 2 1 1 A 37 37 PRO C C 37 176.707 177.735 -1.028 1
1 398 . 2 1 1 A 38 38 ALA N N 38 117.780 117.775 0.005 1
1 399 . 2 1 1 A 38 38 ALA H H 38 7.596 8.032 -0.436 1
1 400 . 2 1 1 A 38 38 ALA CA C 38 52.674 53.087 -0.413 1
1 401 . 2 1 1 A 38 38 ALA HA H 38 4.262 4.368 -0.106 1
1 402 . 2 1 1 A 38 38 ALA CB C 38 19.201 19.324 -0.123 1
1 406 . 2 1 1 A 38 38 ALA C C 38 176.546 177.004 -0.458 1
1 407 . 2 1 1 A 39 39 LEU N N 39 122.870 121.190 1.680 1
1 408 . 2 1 1 A 39 39 LEU H H 39 7.963 7.138 0.825 1
1 409 . 2 1 1 A 39 39 LEU CA C 39 54.548 54.023 0.525 1
1 410 . 2 1 1 A 39 39 LEU HA H 39 4.953 4.863 0.090 1
1 411 . 2 1 1 A 39 39 LEU CB C 39 44.768 44.241 0.527 1
1 423 . 2 1 1 A 39 39 LEU C C 39 173.627 175.233 -1.606 1
1 425 . 2 1 1 A 40 40 LEU N N 40 125.985 129.020 -3.035 1
1 426 . 2 1 1 A 40 40 LEU H H 40 9.247 9.261 -0.014 1
1 427 . 2 1 1 A 40 40 LEU CA C 40 53.914 53.550 0.364 1
1 428 . 2 1 1 A 40 40 LEU HA H 40 5.018 5.220 -0.202 1
1 429 . 2 1 1 A 40 40 LEU CB C 40 45.014 44.507 0.507 1
1 441 . 2 1 1 A 40 40 LEU C C 40 174.170 174.870 -0.700 1
1 443 . 2 1 1 A 41 41 LEU N N 41 125.906 129.189 -3.283 1
1 444 . 2 1 1 A 41 41 LEU H H 41 9.224 9.393 -0.169 1
1 445 . 2 1 1 A 41 41 LEU CA C 41 53.190 53.984 -0.794 1
1 446 . 2 1 1 A 41 41 LEU HA H 41 5.222 5.045 0.177 1
1 447 . 2 1 1 A 41 41 LEU CB C 41 42.034 41.738 0.296 1
1 459 . 2 1 1 A 41 41 LEU C C 41 177.109 175.817 1.292 1
1 461 . 2 1 1 A 42 42 ILE N N 42 124.731 125.959 -1.228 1
1 462 . 2 1 1 A 42 42 ILE H H 42 9.087 8.995 0.092 1
1 463 . 2 1 1 A 42 42 ILE CA C 42 59.794 60.178 -0.384 1
1 464 . 2 1 1 A 42 42 ILE HA H 42 5.055 4.987 0.068 1
1 465 . 2 1 1 A 42 42 ILE CB C 42 41.019 39.774 1.245 1
1 477 . 2 1 1 A 42 42 ILE C C 42 175.074 175.272 -0.198 1
1 479 . 2 1 1 A 43 43 THR N N 43 123.315 122.927 0.388 1
1 480 . 2 1 1 A 43 43 THR H H 43 8.589 9.077 -0.488 1
1 481 . 2 1 1 A 43 43 THR CA C 43 61.677 61.521 0.156 1
1 482 . 2 1 1 A 43 43 THR HA H 43 5.023 5.493 -0.470 1
1 483 . 2 1 1 A 43 43 THR CB C 43 69.838 71.719 -1.881 1
1 489 . 2 1 1 A 43 43 THR C C 43 174.993 173.513 1.480 1
1 490 . 2 1 1 A 44 44 ILE N N 44 126.677 125.771 0.906 1
1 491 . 2 1 1 A 44 44 ILE H H 44 9.329 8.996 0.333 1
1 492 . 2 1 1 A 44 44 ILE CA C 44 59.794 59.789 0.005 1
1 493 . 2 1 1 A 44 44 ILE HA H 44 4.953 5.047 -0.094 1
1 494 . 2 1 1 A 44 44 ILE CB C 44 38.754 41.156 -2.402 1
1 506 . 2 1 1 A 44 44 ILE C C 44 174.670 175.561 -0.891 1
1 508 . 2 1 1 A 45 45 THR N N 45 120.442 121.800 -1.358 1
1 509 . 2 1 1 A 45 45 THR H H 45 8.740 8.530 0.210 1
1 510 . 2 1 1 A 45 45 THR CA C 45 61.579 61.531 0.048 1
1 511 . 2 1 1 A 45 45 THR HA H 45 5.266 4.856 0.410 1
1 512 . 2 1 1 A 45 45 THR CB C 45 70.338 70.496 -0.158 1
1 518 . 2 1 1 A 45 45 THR C C 45 174.494 173.270 1.224 1
1 519 . 2 1 1 A 46 46 ALA N N 46 134.267 130.101 4.166 1
1 520 . 2 1 1 A 46 46 ALA H H 46 9.489 8.493 0.996 1
1 521 . 2 1 1 A 46 46 ALA CA C 46 49.846 50.660 -0.814 1
1 522 . 2 1 1 A 46 46 ALA HA H 46 5.554 4.727 0.827 1
1 523 . 2 1 1 A 46 46 ALA CB C 46 20.414 20.015 0.399 1
1 527 . 2 1 1 A 46 46 ALA C C 46 174.819 176.855 -2.036 1
1 528 . 2 1 1 A 47 47 THR N N 47 111.611 114.287 -2.676 1
1 529 . 2 1 1 A 47 47 THR H H 47 8.431 8.747 -0.316 1
1 530 . 2 1 1 A 47 47 THR CA C 47 59.331 59.888 -0.557 1
1 531 . 2 1 1 A 47 47 THR HA H 47 4.409 5.096 -0.687 1
1 532 . 2 1 1 A 47 47 THR CB C 47 71.655 70.981 0.674 1
1 538 . 2 1 1 A 47 47 THR C C 47 173.104 172.638 0.466 1
1 539 . 2 1 1 A 48 48 ASN N N 48 117.087 124.417 -7.330 1
1 540 . 2 1 1 A 48 48 ASN H H 48 8.647 8.484 0.163 1
1 541 . 2 1 1 A 48 48 ASN CA C 48 51.019 51.514 -0.495 1
1 542 . 2 1 1 A 48 48 ASN HA H 48 5.096 5.291 -0.195 1
1 543 . 2 1 1 A 48 48 ASN CB C 48 39.880 41.694 -1.814 1
1 548 . 2 1 1 A 48 48 ASN C C 48 173.769 174.252 -0.483 1
1 550 . 2 1 1 A 49 49 PHE N N 49 123.238 122.731 0.507 1
1 551 . 2 1 1 A 49 49 PHE H H 49 9.105 8.534 0.571 1
1 552 . 2 1 1 A 49 49 PHE CA C 49 57.422 58.883 -1.461 1
1 553 . 2 1 1 A 49 49 PHE HA H 49 4.601 4.733 -0.132 1
1 554 . 2 1 1 A 49 49 PHE CB C 49 38.770 40.827 -2.057 1
1 566 . 2 1 1 A 49 49 PHE C C 49 176.238 175.698 0.540 1
1 568 . 2 1 1 A 50 50 SER N N 50 118.477 114.231 4.246 1
1 569 . 2 1 1 A 50 50 SER H H 50 8.344 7.852 0.492 1
1 570 . 2 1 1 A 50 50 SER CA C 50 58.654 58.648 0.006 1
1 571 . 2 1 1 A 50 50 SER HA H 50 4.933 4.489 0.444 1
1 572 . 2 1 1 A 50 50 SER CB C 50 66.611 64.746 1.865 1
1 573 . 2 1 1 A 50 50 SER C C 50 173.089 175.487 -2.398 1
1 574 . 2 1 1 A 51 51 GLU N N 51 114.036 122.801 -8.765 1
1 575 . 2 1 1 A 51 51 GLU H H 51 9.051 9.067 -0.016 1
1 576 . 2 1 1 A 51 51 GLU CA C 51 56.701 58.741 -2.040 1
1 577 . 2 1 1 A 51 51 GLU HA H 51 4.358 4.221 0.137 1
1 578 . 2 1 1 A 51 51 GLU CB C 51 30.323 29.458 0.865 1
1 582 . 2 1 1 A 51 51 GLU C C 51 175.603 176.393 -0.790 1
1 585 . 2 1 1 A 52 52 GLY N N 52 109.625 108.095 1.530 1
1 586 . 2 1 1 A 52 52 GLY H H 52 8.525 7.815 0.710 1
1 587 . 2 1 1 A 52 52 GLY CA C 52 44.267 43.895 0.372 1
1 588 . 2 1 1 A 52 52 GLY HA3 H 52 4.505 3.455 1.050 1
1 589 . 2 1 1 A 52 52 GLY C C 52 173.168 172.078 1.090 1
1 590 . 2 1 1 A 52 52 GLY HA2 H 52 2.842 2.662 0.180 1
1 591 . 2 1 1 A 53 53 ASP N N 53 125.175 121.580 3.595 1
1 592 . 2 1 1 A 53 53 ASP H H 53 9.001 8.332 0.669 1
1 593 . 2 1 1 A 53 53 ASP CA C 53 55.793 54.211 1.582 1
1 594 . 2 1 1 A 53 53 ASP HA H 53 4.082 5.013 -0.931 1
1 595 . 2 1 1 A 53 53 ASP CB C 53 40.522 42.323 -1.801 1
1 597 . 2 1 1 A 53 53 ASP C C 53 176.506 175.556 0.950 1
1 599 . 2 1 1 A 54 54 VAL N N 54 125.250 120.962 4.288 1
1 600 . 2 1 1 A 54 54 VAL H H 54 7.873 7.903 -0.030 1
1 601 . 2 1 1 A 54 54 VAL CA C 54 61.350 60.904 0.446 1
1 602 . 2 1 1 A 54 54 VAL HA H 54 4.759 4.987 -0.228 1
1 603 . 2 1 1 A 54 54 VAL CB C 54 32.808 34.356 -1.548 1
1 613 . 2 1 1 A 54 54 VAL C C 54 176.126 175.548 0.578 1
1 614 . 2 1 1 A 55 55 THR N N 55 116.888 117.592 -0.704 1
1 615 . 2 1 1 A 55 55 THR H H 55 9.004 8.555 0.449 1
1 616 . 2 1 1 A 55 55 THR CA C 55 59.194 59.728 -0.534 1
1 617 . 2 1 1 A 55 55 THR HA H 55 4.920 4.798 0.122 1
1 618 . 2 1 1 A 55 55 THR CB C 55 72.508 71.657 0.851 1
1 624 . 2 1 1 A 55 55 THR C C 55 173.166 173.637 -0.471 1
1 625 . 2 1 1 A 56 56 HIS N N 56 115.667 116.716 -1.049 1
1 626 . 2 1 1 A 56 56 HIS H H 56 9.193 8.037 1.156 1
1 627 . 2 1 1 A 56 56 HIS CA C 56 56.363 56.443 -0.080 1
1 628 . 2 1 1 A 56 56 HIS HA H 56 4.153 4.065 0.088 1
1 629 . 2 1 1 A 56 56 HIS CB C 56 26.923 27.144 -0.221 1
1 635 . 2 1 1 A 56 56 HIS C C 56 173.611 173.776 -0.165 1
1 637 . 2 1 1 A 57 57 PHE N N 57 118.625 118.339 0.286 1
1 638 . 2 1 1 A 57 57 PHE H H 57 8.932 8.085 0.847 1
1 639 . 2 1 1 A 57 57 PHE CA C 57 59.503 57.259 2.244 1
1 640 . 2 1 1 A 57 57 PHE HA H 57 4.819 4.708 0.111 1
1 641 . 2 1 1 A 57 57 PHE CB C 57 39.871 39.353 0.518 1
1 653 . 2 1 1 A 57 57 PHE C C 57 176.025 174.399 1.626 1
1 655 . 2 1 1 A 58 58 ILE N N 58 131.418 128.139 3.279 1
1 656 . 2 1 1 A 58 58 ILE H H 58 8.989 9.199 -0.210 1
1 657 . 2 1 1 A 58 58 ILE CA C 58 61.138 60.114 1.024 1
1 658 . 2 1 1 A 58 58 ILE HA H 58 4.001 4.565 -0.564 1
1 659 . 2 1 1 A 58 58 ILE CB C 58 41.349 39.695 1.654 1
1 671 . 2 1 1 A 58 58 ILE C C 58 173.046 173.871 -0.825 1
1 673 . 2 1 1 A 59 59 CYS N N 59 126.838 128.074 -1.236 1
1 674 . 2 1 1 A 59 59 CYS H H 59 8.844 8.801 0.043 1
1 675 . 2 1 1 A 59 59 CYS CA C 59 56.902 56.760 0.142 1
1 676 . 2 1 1 A 59 59 CYS HA H 59 5.044 5.163 -0.119 1
1 677 . 2 1 1 A 59 59 CYS CB C 59 28.363 29.997 -1.634 1
1 679 . 2 1 1 A 59 59 CYS C C 59 173.375 173.526 -0.151 1
1 681 . 2 1 1 A 60 60 GLN N N 60 126.903 126.276 0.627 1
1 682 . 2 1 1 A 60 60 GLN H H 60 8.929 8.546 0.383 1
1 683 . 2 1 1 A 60 60 GLN CA C 60 54.162 54.454 -0.292 1
1 684 . 2 1 1 A 60 60 GLN HA H 60 4.656 5.016 -0.360 1
1 685 . 2 1 1 A 60 60 GLN CB C 60 31.991 31.910 0.081 1
1 691 . 2 1 1 A 60 60 GLN C C 60 174.000 174.733 -0.733 1
1 694 . 2 1 1 A 61 61 ALA N N 61 124.049 121.117 2.932 1
1 695 . 2 1 1 A 61 61 ALA H H 61 8.178 8.651 -0.473 1
1 696 . 2 1 1 A 61 61 ALA CA C 61 50.160 51.281 -1.121 1
1 697 . 2 1 1 A 61 61 ALA HA H 61 5.192 5.298 -0.106 1
1 698 . 2 1 1 A 61 61 ALA CB C 61 23.419 24.150 -0.731 1
1 702 . 2 1 1 A 61 61 ALA C C 61 175.076 175.326 -0.250 1
1 703 . 2 1 1 A 62 62 ALA N N 62 121.362 120.278 1.084 1
1 704 . 2 1 1 A 62 62 ALA H H 62 8.488 8.391 0.097 1
1 705 . 2 1 1 A 62 62 ALA CA C 62 51.309 51.571 -0.262 1
1 706 . 2 1 1 A 62 62 ALA HA H 62 4.667 5.028 -0.361 1
1 707 . 2 1 1 A 62 62 ALA CB C 62 22.617 23.169 -0.552 1
1 711 . 2 1 1 A 62 62 ALA C C 62 176.013 176.087 -0.074 1
1 712 . 2 1 1 A 63 63 VAL N N 63 113.572 114.851 -1.279 1
1 713 . 2 1 1 A 63 63 VAL H H 63 8.271 8.693 -0.422 1
1 714 . 2 1 1 A 63 63 VAL CA C 63 57.691 57.832 -0.141 1
1 715 . 2 1 1 A 63 63 VAL HA H 63 5.045 4.965 0.080 1
1 716 . 2 1 1 A 63 63 VAL CB C 63 32.968 34.534 -1.566 1
1 726 . 2 1 1 A 63 63 VAL C C 63 173.707 173.266 0.441 1
1 727 . 2 1 1 A 64 64 PRO CA C 64 62.757 62.542 0.215 1
1 728 . 2 1 1 A 64 64 PRO HA H 64 4.459 4.639 -0.180 1
1 729 . 2 1 1 A 64 64 PRO CB C 64 32.728 32.576 0.152 1
1 735 . 2 1 1 A 64 64 PRO C C 64 176.348 177.817 -1.469 1
1 739 . 2 1 1 A 65 65 LYS N N 65 118.624 124.546 -5.922 1
1 740 . 2 1 1 A 65 65 LYS H H 65 8.323 9.014 -0.691 1
1 741 . 2 1 1 A 65 65 LYS CA C 65 58.516 59.514 -0.998 1
1 742 . 2 1 1 A 65 65 LYS HA H 65 4.183 3.943 0.240 1
1 743 . 2 1 1 A 65 65 LYS CB C 65 32.320 32.260 0.060 1
1 751 . 2 1 1 A 65 65 LYS C C 65 176.595 178.179 -1.584 1
1 756 . 2 1 1 A 66 66 SER N N 66 111.762 114.724 -2.962 1
1 757 . 2 1 1 A 66 66 SER H H 66 7.779 8.229 -0.450 1
1 758 . 2 1 1 A 66 66 SER CA C 66 59.298 61.676 -2.378 1
1 759 . 2 1 1 A 66 66 SER HA H 66 4.234 4.222 0.012 1
1 760 . 2 1 1 A 66 66 SER CB C 66 62.984 62.833 0.151 1
1 762 . 2 1 1 A 66 66 SER C C 66 174.137 174.926 -0.789 1
1 764 . 2 1 1 A 67 67 LEU N N 67 124.569 120.679 3.890 1
1 765 . 2 1 1 A 67 67 LEU H H 67 8.109 8.006 0.103 1
1 766 . 2 1 1 A 67 67 LEU CA C 67 54.940 53.068 1.872 1
1 767 . 2 1 1 A 67 67 LEU HA H 67 4.836 4.908 -0.072 1
1 768 . 2 1 1 A 67 67 LEU CB C 67 43.882 44.698 -0.816 1
1 780 . 2 1 1 A 67 67 LEU C C 67 174.925 175.518 -0.593 1
1 782 . 2 1 1 A 68 68 GLN N N 68 117.163 121.001 -3.838 1
1 783 . 2 1 1 A 68 68 GLN H H 68 8.063 8.843 -0.780 1
1 784 . 2 1 1 A 68 68 GLN CA C 68 54.829 54.201 0.628 1
1 785 . 2 1 1 A 68 68 GLN HA H 68 4.674 5.146 -0.472 1
1 786 . 2 1 1 A 68 68 GLN CB C 68 31.579 31.907 -0.328 1
1 793 . 2 1 1 A 68 68 GLN C C 68 174.077 174.000 0.077 1
1 796 . 2 1 1 A 69 69 LEU N N 69 126.046 123.970 2.076 1
1 797 . 2 1 1 A 69 69 LEU H H 69 8.676 8.713 -0.037 1
1 798 . 2 1 1 A 69 69 LEU CA C 69 54.073 54.070 0.003 1
1 799 . 2 1 1 A 69 69 LEU HA H 69 5.231 5.109 0.122 1
1 800 . 2 1 1 A 69 69 LEU CB C 69 45.602 46.169 -0.567 1
1 811 . 2 1 1 A 69 69 LEU C C 69 175.497 174.292 1.205 1
1 813 . 2 1 1 A 70 70 GLN N N 70 126.758 126.207 0.551 1
1 814 . 2 1 1 A 70 70 GLN H H 70 9.410 9.067 0.343 1
1 815 . 2 1 1 A 70 70 GLN CA C 70 54.657 54.240 0.417 1
1 816 . 2 1 1 A 70 70 GLN HA H 70 4.746 5.041 -0.295 1
1 817 . 2 1 1 A 70 70 GLN CB C 70 31.537 31.944 -0.407 1
1 824 . 2 1 1 A 70 70 GLN C C 70 174.686 173.904 0.782 1
1 827 . 2 1 1 A 71 71 LEU N N 71 126.413 128.482 -2.069 1
1 828 . 2 1 1 A 71 71 LEU H H 71 8.936 8.700 0.236 1
1 829 . 2 1 1 A 71 71 LEU CA C 71 55.294 53.943 1.351 1
1 830 . 2 1 1 A 71 71 LEU HA H 71 4.752 4.507 0.245 1
1 831 . 2 1 1 A 71 71 LEU CB C 71 43.898 43.424 0.474 1
1 843 . 2 1 1 A 71 71 LEU C C 71 176.498 175.358 1.140 1
1 845 . 2 1 1 A 72 72 GLN N N 72 121.553 127.387 -5.834 1
1 846 . 2 1 1 A 72 72 GLN H H 72 8.100 7.982 0.118 1
1 847 . 2 1 1 A 72 72 GLN CA C 72 54.209 55.194 -0.985 1
1 848 . 2 1 1 A 72 72 GLN HA H 72 4.589 4.332 0.257 1
1 849 . 2 1 1 A 72 72 GLN CB C 72 31.142 29.861 1.281 1
1 856 . 2 1 1 A 72 72 GLN C C 72 174.254 176.018 -1.764 1
1 859 . 2 1 1 A 73 73 ALA N N 73 124.262 126.752 -2.490 1
1 860 . 2 1 1 A 73 73 ALA H H 73 8.452 8.351 0.101 1
1 861 . 2 1 1 A 73 73 ALA CA C 73 51.211 50.704 0.507 1
1 862 . 2 1 1 A 73 73 ALA HA H 73 4.500 4.332 0.168 1
1 863 . 2 1 1 A 73 73 ALA CB C 73 17.185 18.202 -1.017 1
1 867 . 2 1 1 A 73 73 ALA C C 73 176.548 175.872 0.676 1
1 868 . 2 1 1 A 74 74 PRO CA C 74 62.160 62.332 -0.172 1
1 869 . 2 1 1 A 74 74 PRO HA H 74 4.848 4.562 0.286 1
1 870 . 2 1 1 A 74 74 PRO CB C 74 32.897 33.273 -0.376 1
1 874 . 2 1 1 A 74 74 PRO C C 74 177.266 176.404 0.862 1
1 878 . 2 1 1 A 75 75 SER N N 75 115.398 115.315 0.083 1
1 879 . 2 1 1 A 75 75 SER H H 75 9.293 8.754 0.539 1
1 880 . 2 1 1 A 75 75 SER CA C 75 61.024 58.831 2.193 1
1 881 . 2 1 1 A 75 75 SER HA H 75 4.154 4.510 -0.356 1
1 882 . 2 1 1 A 75 75 SER CB C 75 62.867 64.666 -1.799 1
1 884 . 2 1 1 A 75 75 SER C C 75 174.460 174.077 0.383 1
1 886 . 2 1 1 A 76 76 GLY N N 76 106.233 107.653 -1.420 1
1 887 . 2 1 1 A 76 76 GLY H H 76 7.208 7.190 0.018 1
1 888 . 2 1 1 A 76 76 GLY CA C 76 44.930 45.944 -1.014 1
1 889 . 2 1 1 A 76 76 GLY HA3 H 76 4.306 4.028 0.278 1
1 890 . 2 1 1 A 76 76 GLY C C 76 171.327 172.991 -1.664 1
1 891 . 2 1 1 A 76 76 GLY HA2 H 76 4.095 4.021 0.074 1
1 892 . 2 1 1 A 77 77 ASN CA C 77 53.060 52.735 0.325 1
1 893 . 2 1 1 A 77 77 ASN HA H 77 5.001 4.791 0.210 1
1 894 . 2 1 1 A 77 77 ASN CB C 77 40.650 36.592 4.058 1
1 899 . 2 1 1 A 77 77 ASN C C 77 173.427 173.346 0.081 1
1 901 . 2 1 1 A 78 78 THR N N 78 114.705 114.343 0.362 1
1 902 . 2 1 1 A 78 78 THR H H 78 7.579 7.985 -0.406 1
1 903 . 2 1 1 A 78 78 THR CA C 78 59.766 61.064 -1.298 1
1 904 . 2 1 1 A 78 78 THR HA H 78 5.174 4.861 0.313 1
1 905 . 2 1 1 A 78 78 THR CB C 78 71.855 71.688 0.167 1
1 911 . 2 1 1 A 78 78 THR C C 78 173.138 173.234 -0.096 1
1 912 . 2 1 1 A 79 79 VAL N N 79 123.606 125.948 -2.342 1
1 913 . 2 1 1 A 79 79 VAL H H 79 8.696 9.201 -0.505 1
1 914 . 2 1 1 A 79 79 VAL CA C 79 58.982 58.554 0.428 1
1 915 . 2 1 1 A 79 79 VAL HA H 79 4.495 4.480 0.015 1
1 916 . 2 1 1 A 79 79 VAL CB C 79 32.717 34.984 -2.267 1
1 926 . 2 1 1 A 79 79 VAL C C 79 174.289 173.955 0.334 1
1 927 . 2 1 1 A 80 80 PRO CA C 80 63.184 62.478 0.706 1
1 928 . 2 1 1 A 80 80 PRO HA H 80 4.160 4.701 -0.541 1
1 929 . 2 1 1 A 80 80 PRO CB C 80 33.128 32.185 0.943 1
1 935 . 2 1 1 A 80 80 PRO C C 80 174.009 177.308 -3.299 1
1 939 . 2 1 1 A 81 81 ALA N N 81 120.000 125.942 -5.942 1
1 940 . 2 1 1 A 81 81 ALA H H 81 8.371 8.550 -0.179 1
1 941 . 2 1 1 A 81 81 ALA CA C 81 51.951 53.371 -1.420 1
1 942 . 2 1 1 A 81 81 ALA HA H 81 3.715 4.235 -0.520 1
1 943 . 2 1 1 A 81 81 ALA CB C 81 20.029 18.890 1.139 1
1 947 . 2 1 1 A 81 81 ALA C C 81 176.740 177.663 -0.923 1
1 948 . 2 1 1 A 82 82 ARG N N 82 111.901 117.597 -5.696 1
1 949 . 2 1 1 A 82 82 ARG H H 82 8.724 7.610 1.114 1
1 950 . 2 1 1 A 82 82 ARG CA C 82 57.062 55.230 1.832 1
1 951 . 2 1 1 A 82 82 ARG HA H 82 3.665 4.576 -0.911 1
1 952 . 2 1 1 A 82 82 ARG CB C 82 26.959 30.412 -3.453 1
1 958 . 2 1 1 A 82 82 ARG C C 82 176.777 175.700 1.077 1
1 962 . 2 1 1 A 83 83 GLY N N 83 107.610 109.064 -1.454 1
1 963 . 2 1 1 A 83 83 GLY H H 83 9.251 8.006 1.245 1
1 964 . 2 1 1 A 83 83 GLY CA C 83 46.389 47.120 -0.731 1
1 965 . 2 1 1 A 83 83 GLY HA3 H 83 3.731 4.105 -0.374 1
1 966 . 2 1 1 A 83 83 GLY C C 83 176.193 175.002 1.191 1
1 967 . 2 1 1 A 83 83 GLY HA2 H 83 3.352 3.637 -0.285 1
1 968 . 2 1 1 A 84 84 GLY N N 84 106.030 107.389 -1.359 1
1 969 . 2 1 1 A 84 84 GLY H H 84 7.015 8.075 -1.060 1
1 970 . 2 1 1 A 84 84 GLY CA C 84 45.272 44.477 0.795 1
1 971 . 2 1 1 A 84 84 GLY HA3 H 84 3.537 4.008 -0.471 1
1 972 . 2 1 1 A 84 84 GLY C C 84 171.651 173.508 -1.857 1
1 973 . 2 1 1 A 84 84 GLY HA2 H 84 3.891 3.983 -0.092 1
1 974 . 2 1 1 A 85 85 LEU N N 85 120.524 122.577 -2.053 1
1 975 . 2 1 1 A 85 85 LEU H H 85 7.903 8.078 -0.175 1
1 976 . 2 1 1 A 85 85 LEU CA C 85 53.494 50.832 2.662 1
1 977 . 2 1 1 A 85 85 LEU HA H 85 4.346 4.867 -0.521 1
1 978 . 2 1 1 A 85 85 LEU CB C 85 42.901 43.762 -0.861 1
1 990 . 2 1 1 A 85 85 LEU C C 85 174.362 175.102 -0.740 1
1 992 . 2 1 1 A 86 86 PRO CA C 86 62.752 62.367 0.385 1
1 993 . 2 1 1 A 86 86 PRO HA H 86 4.570 4.644 -0.074 1
1 994 . 2 1 1 A 86 86 PRO CB C 86 33.557 32.357 1.200 1
1 1000 . 2 1 1 A 86 86 PRO C C 86 178.338 175.540 2.798 1
1 1004 . 2 1 1 A 87 87 ILE N N 87 118.504 122.340 -3.836 1
1 1005 . 2 1 1 A 87 87 ILE H H 87 7.544 7.995 -0.451 1
1 1006 . 2 1 1 A 87 87 ILE CA C 87 60.571 60.814 -0.243 1
1 1007 . 2 1 1 A 87 87 ILE HA H 87 4.021 4.486 -0.465 1
1 1008 . 2 1 1 A 87 87 ILE CB C 87 40.787 39.126 1.661 1
1 1020 . 2 1 1 A 87 87 ILE C C 87 175.620 175.991 -0.371 1
1 1022 . 2 1 1 A 88 88 THR N N 88 115.839 118.352 -2.513 1
1 1023 . 2 1 1 A 88 88 THR H H 88 8.788 9.083 -0.295 1
1 1024 . 2 1 1 A 88 88 THR CA C 88 58.935 59.234 -0.299 1
1 1025 . 2 1 1 A 88 88 THR HA H 88 5.678 5.837 -0.159 1
1 1026 . 2 1 1 A 88 88 THR CB C 88 72.532 71.776 0.756 1
1 1032 . 2 1 1 A 88 88 THR C C 88 174.318 173.453 0.865 1
1 1033 . 2 1 1 A 89 89 GLN N N 89 121.295 119.510 1.785 1
1 1034 . 2 1 1 A 89 89 GLN H H 89 8.399 8.947 -0.548 1
1 1035 . 2 1 1 A 89 89 GLN CA C 89 56.259 54.343 1.916 1
1 1036 . 2 1 1 A 89 89 GLN HA H 89 4.528 4.917 -0.389 1
1 1037 . 2 1 1 A 89 89 GLN CB C 89 30.760 33.031 -2.271 1
1 1044 . 2 1 1 A 89 89 GLN C C 89 172.439 174.151 -1.712 1
1 1047 . 2 1 1 A 90 90 LEU N N 90 129.715 123.595 6.120 1
1 1048 . 2 1 1 A 90 90 LEU H H 90 8.426 8.561 -0.135 1
1 1049 . 2 1 1 A 90 90 LEU CA C 90 54.513 52.792 1.721 1
1 1050 . 2 1 1 A 90 90 LEU HA H 90 5.103 5.376 -0.273 1
1 1051 . 2 1 1 A 90 90 LEU CB C 90 44.412 46.348 -1.936 1
1 1063 . 2 1 1 A 90 90 LEU C C 90 175.027 173.893 1.134 1
1 1065 . 2 1 1 A 91 91 PHE N N 91 123.227 123.951 -0.724 1
1 1066 . 2 1 1 A 91 91 PHE H H 91 9.647 8.809 0.838 1
1 1067 . 2 1 1 A 91 91 PHE CA C 91 55.327 56.379 -1.052 1
1 1068 . 2 1 1 A 91 91 PHE HA H 91 5.064 5.473 -0.409 1
1 1069 . 2 1 1 A 91 91 PHE CB C 91 40.899 41.477 -0.578 1
1 1081 . 2 1 1 A 91 91 PHE C C 91 174.296 174.684 -0.388 1
1 1083 . 2 1 1 A 92 92 ARG N N 92 121.174 124.223 -3.049 1
1 1084 . 2 1 1 A 92 92 ARG H H 92 8.726 8.914 -0.188 1
1 1085 . 2 1 1 A 92 92 ARG CA C 92 55.046 56.068 -1.022 1
1 1086 . 2 1 1 A 92 92 ARG HA H 92 5.109 4.797 0.312 1
1 1087 . 2 1 1 A 92 92 ARG CB C 92 32.524 31.290 1.234 1
1 1093 . 2 1 1 A 92 92 ARG C C 92 175.154 175.417 -0.263 1
1 1097 . 2 1 1 A 93 93 ILE N N 93 126.629 124.383 2.246 1
1 1098 . 2 1 1 A 93 93 ILE H H 93 9.599 8.633 0.966 1
1 1099 . 2 1 1 A 93 93 ILE CA C 93 59.538 59.628 -0.090 1
1 1100 . 2 1 1 A 93 93 ILE HA H 93 5.206 5.318 -0.112 1
1 1101 . 2 1 1 A 93 93 ILE CB C 93 40.963 42.613 -1.650 1
1 1113 . 2 1 1 A 93 93 ILE C C 93 174.400 174.699 -0.299 1
1 1115 . 2 1 1 A 94 94 LEU N N 94 127.940 127.364 0.576 1
1 1116 . 2 1 1 A 94 94 LEU H H 94 8.853 8.913 -0.060 1
1 1117 . 2 1 1 A 94 94 LEU CA C 94 53.673 53.197 0.476 1
1 1118 . 2 1 1 A 94 94 LEU HA H 94 5.152 5.180 -0.028 1
1 1119 . 2 1 1 A 94 94 LEU CB C 94 44.245 43.748 0.497 1
1 1131 . 2 1 1 A 94 94 LEU C C 94 176.106 176.016 0.090 1
1 1133 . 2 1 1 A 95 95 ASN N N 95 119.567 122.467 -2.900 1
1 1134 . 2 1 1 A 95 95 ASN H H 95 9.271 8.679 0.592 1
1 1135 . 2 1 1 A 95 95 ASN CA C 95 49.634 50.798 -1.164 1
1 1136 . 2 1 1 A 95 95 ASN HA H 95 5.361 5.271 0.090 1
1 1137 . 2 1 1 A 95 95 ASN CB C 95 39.189 39.061 0.128 1
1 1142 . 2 1 1 A 95 95 ASN C C 95 173.779 173.826 -0.047 1
1 1144 . 2 1 1 A 96 96 PRO CA C 96 64.795 64.457 0.338 1
1 1145 . 2 1 1 A 96 96 PRO HA H 96 4.306 4.476 -0.170 1
1 1146 . 2 1 1 A 96 96 PRO CB C 96 32.010 31.918 0.092 1
1 1152 . 2 1 1 A 96 96 PRO C C 96 177.656 177.519 0.137 1
1 1156 . 2 1 1 A 97 97 ASN N N 97 114.343 114.458 -0.115 1
1 1157 . 2 1 1 A 97 97 ASN H H 97 8.840 7.795 1.045 1
1 1158 . 2 1 1 A 97 97 ASN CA C 97 52.889 52.884 0.005 1
1 1159 . 2 1 1 A 97 97 ASN HA H 97 4.828 4.811 0.017 1
1 1160 . 2 1 1 A 97 97 ASN CB C 97 38.085 38.636 -0.551 1
1 1165 . 2 1 1 A 97 97 ASN C C 97 174.361 174.550 -0.189 1
1 1167 . 2 1 1 A 98 98 LYS N N 98 118.175 116.135 2.040 1
1 1168 . 2 1 1 A 98 98 LYS H H 98 7.735 7.631 0.104 1
1 1169 . 2 1 1 A 98 98 LYS CA C 98 57.625 57.257 0.368 1
1 1170 . 2 1 1 A 98 98 LYS HA H 98 3.780 3.993 -0.213 1
1 1171 . 2 1 1 A 98 98 LYS CB C 98 29.343 29.450 -0.107 1
1 1179 . 2 1 1 A 98 98 LYS C C 98 174.779 174.793 -0.014 1
1 1184 . 2 1 1 A 99 99 ALA N N 99 122.321 121.059 1.262 1
1 1185 . 2 1 1 A 99 99 ALA H H 99 8.454 7.875 0.579 1
1 1186 . 2 1 1 A 99 99 ALA CA C 99 49.893 49.055 0.838 1
1 1187 . 2 1 1 A 99 99 ALA HA H 99 4.415 4.694 -0.279 1
1 1188 . 2 1 1 A 99 99 ALA CB C 99 18.125 20.378 -2.253 1
1 1192 . 2 1 1 A 99 99 ALA C C 99 175.018 175.982 -0.964 1
1 1193 . 2 1 1 A 100 100 PRO CA C 100 62.082 62.279 -0.197 1
1 1194 . 2 1 1 A 100 100 PRO CB C 100 31.068 29.487 1.581 1
1 1203 . 2 1 1 A 101 101 LEU H H 101 5.223 8.258 -3.035 1
1 1204 . 2 1 1 A 101 101 LEU CA C 101 55.181 53.478 1.703 1
1 1205 . 2 1 1 A 101 101 LEU HA H 101 3.758 4.770 -1.012 1
1 1206 . 2 1 1 A 101 101 LEU CB C 101 43.103 42.728 0.375 1
1 1218 . 2 1 1 A 101 101 LEU C C 101 174.350 176.456 -2.106 1
1 1220 . 2 1 1 A 102 102 ARG N N 102 122.304 119.841 2.463 1
1 1221 . 2 1 1 A 102 102 ARG H H 102 6.412 8.432 -2.020 1
1 1222 . 2 1 1 A 102 102 ARG CA C 102 54.659 54.335 0.324 1
1 1223 . 2 1 1 A 102 102 ARG HA H 102 4.500 4.934 -0.434 1
1 1224 . 2 1 1 A 102 102 ARG CB C 102 33.168 33.183 -0.015 1
1 1230 . 2 1 1 A 102 102 ARG C C 102 173.625 174.840 -1.215 1
1 1234 . 2 1 1 A 103 103 LEU N N 103 119.849 123.654 -3.805 1
1 1235 . 2 1 1 A 103 103 LEU H H 103 8.301 8.725 -0.424 1
1 1236 . 2 1 1 A 103 103 LEU CA C 103 53.667 53.667 0.000 1
1 1237 . 2 1 1 A 103 103 LEU HA H 103 4.886 5.090 -0.204 1
1 1238 . 2 1 1 A 103 103 LEU CB C 103 47.097 46.580 0.517 1
1 1250 . 2 1 1 A 103 103 LEU C C 103 173.874 173.734 0.140 1
1 1252 . 2 1 1 A 104 104 LYS N N 104 126.165 127.314 -1.149 1
1 1253 . 2 1 1 A 104 104 LYS H H 104 8.516 8.751 -0.235 1
1 1254 . 2 1 1 A 104 104 LYS CA C 104 55.117 54.651 0.466 1
1 1255 . 2 1 1 A 104 104 LYS HA H 104 4.773 5.077 -0.304 1
1 1256 . 2 1 1 A 104 104 LYS CB C 104 34.581 35.316 -0.735 1
1 1264 . 2 1 1 A 104 104 LYS C C 104 174.980 175.092 -0.112 1
1 1269 . 2 1 1 A 105 105 LEU N N 105 125.172 128.597 -3.425 1
1 1270 . 2 1 1 A 105 105 LEU H H 105 8.586 9.080 -0.494 1
1 1271 . 2 1 1 A 105 105 LEU CA C 105 53.059 53.279 -0.220 1
1 1272 . 2 1 1 A 105 105 LEU HA H 105 4.923 4.999 -0.076 1
1 1273 . 2 1 1 A 105 105 LEU CB C 105 44.358 43.756 0.602 1
1 1285 . 2 1 1 A 105 105 LEU C C 105 174.037 174.863 -0.826 1
1 1287 . 2 1 1 A 106 106 ARG N N 106 119.880 125.800 -5.920 1
1 1288 . 2 1 1 A 106 106 ARG H H 106 8.363 9.041 -0.678 1
1 1289 . 2 1 1 A 106 106 ARG CA C 106 54.374 54.376 -0.002 1
1 1290 . 2 1 1 A 106 106 ARG HA H 106 4.926 4.800 0.126 1
1 1291 . 2 1 1 A 106 106 ARG CB C 106 32.783 33.552 -0.769 1
1 1297 . 2 1 1 A 106 106 ARG C C 106 174.611 174.361 0.250 1
1 1301 . 2 1 1 A 107 107 LEU N N 107 128.498 126.683 1.815 1
1 1302 . 2 1 1 A 107 107 LEU H H 107 9.260 8.765 0.495 1
1 1303 . 2 1 1 A 107 107 LEU CA C 107 52.942 53.570 -0.628 1
1 1304 . 2 1 1 A 107 107 LEU HA H 107 5.110 5.257 -0.147 1
1 1305 . 2 1 1 A 107 107 LEU CB C 107 45.279 44.991 0.288 1
1 1317 . 2 1 1 A 107 107 LEU C C 107 175.494 175.651 -0.157 1
1 1319 . 2 1 1 A 108 108 THR N N 108 114.947 115.638 -0.691 1
1 1320 . 2 1 1 A 108 108 THR H H 108 8.424 8.473 -0.049 1
1 1321 . 2 1 1 A 108 108 THR CA C 108 59.201 60.571 -1.370 1
1 1322 . 2 1 1 A 108 108 THR HA H 108 5.344 5.180 0.164 1
1 1323 . 2 1 1 A 108 108 THR CB C 108 71.413 71.193 0.220 1
1 1329 . 2 1 1 A 108 108 THR C C 108 172.424 172.998 -0.574 1
1 1330 . 2 1 1 A 109 109 TYR N N 109 114.691 120.240 -5.549 1
1 1331 . 2 1 1 A 109 109 TYR H H 109 8.056 8.578 -0.522 1
1 1332 . 2 1 1 A 109 109 TYR CA C 109 57.133 56.088 1.045 1
1 1333 . 2 1 1 A 109 109 TYR HA H 109 4.769 5.231 -0.462 1
1 1334 . 2 1 1 A 109 109 TYR CB C 109 38.008 40.378 -2.370 1
1 1344 . 2 1 1 A 109 109 TYR C C 109 171.790 171.819 -0.029 1
1 1346 . 2 1 1 A 110 110 ASP N N 110 119.179 121.174 -1.995 1
1 1347 . 2 1 1 A 110 110 ASP H H 110 9.332 9.138 0.194 1
1 1348 . 2 1 1 A 110 110 ASP CA C 110 53.147 53.063 0.084 1
1 1349 . 2 1 1 A 110 110 ASP HA H 110 5.855 5.918 -0.063 1
1 1350 . 2 1 1 A 110 110 ASP CB C 110 42.179 44.241 -2.062 1
1 1352 . 2 1 1 A 110 110 ASP C C 110 176.257 174.696 1.561 1
1 1354 . 2 1 1 A 111 111 HIS N N 111 122.092 126.315 -4.223 1
1 1355 . 2 1 1 A 111 111 HIS H H 111 8.993 9.598 -0.605 1
1 1356 . 2 1 1 A 111 111 HIS CA C 111 55.365 55.704 -0.339 1
1 1357 . 2 1 1 A 111 111 HIS HA H 111 4.768 5.064 -0.296 1
1 1358 . 2 1 1 A 111 111 HIS CB C 111 36.414 33.480 2.934 1
1 1364 . 2 1 1 A 111 111 HIS C C 111 175.420 174.632 0.788 1
1 1366 . 2 1 1 A 112 112 PHE N N 112 129.361 125.754 3.607 1
1 1367 . 2 1 1 A 112 112 PHE H H 112 10.128 9.532 0.596 1
1 1368 . 2 1 1 A 112 112 PHE CA C 112 59.353 58.742 0.611 1
1 1369 . 2 1 1 A 112 112 PHE HA H 112 3.972 3.979 -0.007 1
1 1370 . 2 1 1 A 112 112 PHE CB C 112 36.136 36.650 -0.514 1
1 1382 . 2 1 1 A 112 112 PHE C C 112 175.288 175.076 0.212 1
1 1384 . 2 1 1 A 113 113 HIS N N 113 109.753 109.128 0.625 1
1 1385 . 2 1 1 A 113 113 HIS H H 113 8.856 8.294 0.562 1
1 1386 . 2 1 1 A 113 113 HIS CA C 113 57.593 56.673 0.920 1
1 1387 . 2 1 1 A 113 113 HIS HA H 113 4.168 4.175 -0.007 1
1 1388 . 2 1 1 A 113 113 HIS CB C 113 27.575 26.920 0.655 1
1 1394 . 2 1 1 A 113 113 HIS C C 113 174.146 173.820 0.326 1
1 1396 . 2 1 1 A 114 114 GLN N N 114 118.510 116.920 1.590 1
1 1397 . 2 1 1 A 114 114 GLN H H 114 7.930 7.632 0.298 1
1 1398 . 2 1 1 A 114 114 GLN CA C 114 54.303 54.450 -0.147 1
1 1399 . 2 1 1 A 114 114 GLN HA H 114 4.674 4.830 -0.156 1
1 1400 . 2 1 1 A 114 114 GLN CB C 114 31.548 32.858 -1.310 1
1 1407 . 2 1 1 A 114 114 GLN C C 114 174.702 174.982 -0.280 1
1 1410 . 2 1 1 A 115 115 SER N N 115 118.183 117.008 1.175 1
1 1411 . 2 1 1 A 115 115 SER H H 115 8.528 8.655 -0.127 1
1 1412 . 2 1 1 A 115 115 SER CA C 115 57.665 57.485 0.180 1
1 1413 . 2 1 1 A 115 115 SER HA H 115 5.112 4.793 0.319 1
1 1414 . 2 1 1 A 115 115 SER CB C 115 63.266 64.124 -0.858 1
1 1416 . 2 1 1 A 115 115 SER C C 115 174.157 174.041 0.116 1
1 1418 . 2 1 1 A 116 116 VAL N N 116 130.788 125.424 5.364 1
1 1419 . 2 1 1 A 116 116 VAL H H 116 9.445 9.227 0.218 1
1 1420 . 2 1 1 A 116 116 VAL CA C 116 62.375 61.195 1.180 1
1 1421 . 2 1 1 A 116 116 VAL HA H 116 3.870 4.631 -0.761 1
1 1422 . 2 1 1 A 116 116 VAL CB C 116 32.564 33.395 -0.831 1
1 1432 . 2 1 1 A 116 116 VAL C C 116 175.674 174.169 1.505 1
1 1433 . 2 1 1 A 117 117 GLN N N 117 127.278 128.923 -1.645 1
1 1434 . 2 1 1 A 117 117 GLN H H 117 8.612 8.970 -0.358 1
1 1435 . 2 1 1 A 117 117 GLN CA C 117 55.004 54.272 0.732 1
1 1436 . 2 1 1 A 117 117 GLN HA H 117 5.170 5.144 0.026 1
1 1437 . 2 1 1 A 117 117 GLN CB C 117 31.166 31.378 -0.212 1
1 1444 . 2 1 1 A 117 117 GLN C C 117 174.229 174.290 -0.061 1
1 1447 . 2 1 1 A 118 118 GLU N N 118 125.633 125.276 0.357 1
1 1448 . 2 1 1 A 118 118 GLU H H 118 8.960 8.621 0.339 1
1 1449 . 2 1 1 A 118 118 GLU CA C 118 54.799 54.669 0.130 1
1 1450 . 2 1 1 A 118 118 GLU HA H 118 4.869 5.216 -0.347 1
1 1451 . 2 1 1 A 118 118 GLU CB C 118 33.675 33.388 0.287 1
1 1455 . 2 1 1 A 118 118 GLU C C 118 174.340 174.991 -0.651 1
1 1458 . 2 1 1 A 119 119 ILE N N 119 123.525 123.684 -0.159 1
1 1459 . 2 1 1 A 119 119 ILE H H 119 8.683 8.858 -0.175 1
1 1460 . 2 1 1 A 119 119 ILE CA C 119 60.005 60.153 -0.148 1
1 1461 . 2 1 1 A 119 119 ILE HA H 119 5.157 4.674 0.483 1
1 1462 . 2 1 1 A 119 119 ILE CB C 119 40.761 40.311 0.450 1
1 1474 . 2 1 1 A 119 119 ILE C C 119 175.386 175.296 0.090 1
1 1476 . 2 1 1 A 120 120 PHE N N 120 122.954 123.670 -0.716 1
1 1477 . 2 1 1 A 120 120 PHE H H 120 8.647 8.157 0.490 1
1 1478 . 2 1 1 A 120 120 PHE CA C 120 55.754 55.289 0.465 1
1 1479 . 2 1 1 A 120 120 PHE HA H 120 5.064 5.475 -0.411 1
1 1480 . 2 1 1 A 120 120 PHE CB C 120 39.904 42.628 -2.724 1
1 1492 . 2 1 1 A 120 120 PHE C C 120 172.536 172.568 -0.032 1
1 1494 . 2 1 1 A 121 121 GLU N N 121 120.205 119.177 1.028 1
1 1495 . 2 1 1 A 121 121 GLU H H 121 8.807 8.906 -0.099 1
1 1496 . 2 1 1 A 121 121 GLU CA C 121 54.976 54.719 0.257 1
1 1497 . 2 1 1 A 121 121 GLU HA H 121 4.795 5.142 -0.347 1
1 1498 . 2 1 1 A 121 121 GLU CB C 121 31.537 33.371 -1.834 1
1 1502 . 2 1 1 A 121 121 GLU C C 121 175.979 175.716 0.263 1
1 1505 . 2 1 1 A 122 122 VAL N N 122 124.567 124.370 0.197 1
1 1506 . 2 1 1 A 122 122 VAL H H 122 8.818 8.820 -0.002 1
1 1507 . 2 1 1 A 122 122 VAL CA C 122 62.536 62.953 -0.417 1
1 1508 . 2 1 1 A 122 122 VAL HA H 122 4.300 4.242 0.058 1
1 1509 . 2 1 1 A 122 122 VAL CB C 122 32.136 31.006 1.130 1
1 1519 . 2 1 1 A 122 122 VAL C C 122 175.324 176.296 -0.972 1
1 1520 . 2 1 1 A 123 123 ASN N N 123 125.013 124.134 0.879 1
1 1521 . 2 1 1 A 123 123 ASN H H 123 8.770 8.764 0.006 1
1 1522 . 2 1 1 A 123 123 ASN CA C 123 52.889 52.586 0.303 1
1 1523 . 2 1 1 A 123 123 ASN HA H 123 5.072 4.856 0.216 1
1 1524 . 2 1 1 A 123 123 ASN CB C 123 40.114 38.133 1.981 1
1 1529 . 2 1 1 A 123 123 ASN C C 123 174.799 175.738 -0.939 1
1 1531 . 2 1 1 A 124 124 ASN N N 124 117.247 116.633 0.614 1
1 1532 . 2 1 1 A 124 124 ASN H H 124 8.599 8.033 0.566 1
1 1533 . 2 1 1 A 124 124 ASN CA C 124 52.853 52.864 -0.011 1
1 1534 . 2 1 1 A 124 124 ASN HA H 124 4.721 4.864 -0.143 1
1 1535 . 2 1 1 A 124 124 ASN CB C 124 36.882 39.499 -2.617 1
1 1540 . 2 1 1 A 124 124 ASN C C 124 174.437 175.329 -0.892 1
1 1542 . 2 1 1 A 125 125 LEU N N 125 119.273 122.799 -3.526 1
1 1543 . 2 1 1 A 125 125 LEU H H 125 8.105 7.339 0.766 1
1 1544 . 2 1 1 A 125 125 LEU CA C 125 53.787 53.912 -0.125 1
1 1545 . 2 1 1 A 125 125 LEU HA H 125 4.187 4.434 -0.247 1
1 1546 . 2 1 1 A 125 125 LEU CB C 125 40.398 41.726 -1.328 1
1 1558 . 2 1 1 A 125 125 LEU C C 125 175.528 174.822 0.706 1
1 1560 . 2 1 1 A 126 126 PRO CA C 126 62.439 62.387 0.052 1
1 1561 . 2 1 1 A 126 126 PRO HA H 126 4.519 4.502 0.017 1
1 1562 . 2 1 1 A 126 126 PRO CB C 126 31.210 32.227 -1.017 1
1 1568 . 2 1 1 A 126 126 PRO C C 126 179.073 176.424 2.649 1
1 1572 . 2 1 1 A 127 127 VAL N N 127 124.759 120.546 4.213 1
1 1573 . 2 1 1 A 127 127 VAL H H 127 8.794 8.296 0.498 1
1 1574 . 2 1 1 A 127 127 VAL CA C 127 64.360 64.134 0.226 1
1 1575 . 2 1 1 A 127 127 VAL HA H 127 3.216 4.123 -0.907 1
1 1576 . 2 1 1 A 127 127 VAL CB C 127 30.825 32.018 -1.193 1
1 1586 . 2 1 1 A 127 127 VAL C C 127 176.789 177.140 -0.351 1
1 1587 . 2 1 1 A 128 128 GLU N N 128 119.892 122.622 -2.730 1
1 1588 . 2 1 1 A 128 128 GLU H H 128 9.460 8.106 1.354 1
1 1589 . 2 1 1 A 128 128 GLU CA C 128 59.216 59.260 -0.044 1
1 1590 . 2 1 1 A 128 128 GLU HA H 128 3.831 3.708 0.123 1
1 1591 . 2 1 1 A 128 128 GLU CB C 128 29.188 29.038 0.150 1
1 1595 . 2 1 1 A 128 128 GLU C C 128 177.624 178.791 -1.167 1
1 1598 . 2 1 1 A 129 129 SER N N 129 112.727 115.261 -2.534 1
1 1599 . 2 1 1 A 129 129 SER H H 129 8.057 7.752 0.305 1
1 1600 . 2 1 1 A 129 129 SER CA C 129 61.024 61.379 -0.355 1
1 1601 . 2 1 1 A 129 129 SER HA H 129 3.925 4.117 -0.192 1
1 1602 . 2 1 1 A 129 129 SER CB C 129 64.440 63.024 1.416 1
1 1604 . 2 1 1 A 129 129 SER C C 129 173.147 176.275 -3.128 1
1 1606 . 2 1 1 A 130 130 TRP N N 130 117.092 120.882 -3.790 1
1 1607 . 2 1 1 A 130 130 TRP H H 130 7.184 8.287 -1.103 1
1 1608 . 2 1 1 A 130 130 TRP CA C 130 57.027 59.360 -2.333 1
1 1609 . 2 1 1 A 130 130 TRP HA H 130 4.974 4.569 0.405 1
1 1610 . 2 1 1 A 130 130 TRP CB C 130 31.384 29.639 1.745 1
1 1624 . 2 1 1 A 130 130 TRP C C 130 174.759 178.026 -3.267 1
1 1 . 3 1 1 A 6 6 SER CA C 6 58.371 58.795 -0.424 1
1 2 . 3 1 1 A 6 6 SER HA H 6 4.533 4.103 0.430 1
1 3 . 3 1 1 A 6 6 SER CB C 6 63.994 61.395 2.599 1
1 5 . 3 1 1 A 6 6 SER C C 6 174.472 174.033 0.439 1
1 7 . 3 1 1 A 7 7 GLY N N 7 110.741 109.272 1.469 1
1 8 . 3 1 1 A 7 7 GLY H H 7 8.209 8.066 0.143 1
1 9 . 3 1 1 A 7 7 GLY CA C 7 44.501 44.522 -0.021 1
1 10 . 3 1 1 A 7 7 GLY HA3 H 7 4.059 4.037 0.022 1
1 11 . 3 1 1 A 7 7 GLY C C 7 171.084 173.100 -2.016 1
1 12 . 3 1 1 A 7 7 GLY HA2 H 7 4.155 4.036 0.119 1
1 13 . 3 1 1 A 8 8 PRO CA C 8 61.515 62.066 -0.551 1
1 14 . 3 1 1 A 8 8 PRO HA H 8 4.713 4.590 0.123 1
1 15 . 3 1 1 A 8 8 PRO CB C 8 30.760 31.631 -0.871 1
1 24 . 3 1 1 A 9 9 PRO HA H 9 4.724 4.595 0.129 1
1 30 . 3 1 1 A 10 10 PRO CA C 10 62.761 62.452 0.309 1
1 31 . 3 1 1 A 10 10 PRO HA H 10 4.389 4.581 -0.192 1
1 32 . 3 1 1 A 10 10 PRO CB C 10 32.082 33.096 -1.014 1
1 37 . 3 1 1 A 10 10 PRO C C 10 176.236 175.345 0.891 1
1 41 . 3 1 1 A 11 11 ALA N N 11 125.926 122.226 3.700 1
1 42 . 3 1 1 A 11 11 ALA H H 11 8.352 8.137 0.215 1
1 43 . 3 1 1 A 11 11 ALA CA C 11 50.343 49.141 1.202 1
1 44 . 3 1 1 A 11 11 ALA HA H 11 4.583 4.778 -0.195 1
1 45 . 3 1 1 A 11 11 ALA CB C 11 18.255 20.146 -1.891 1
1 49 . 3 1 1 A 11 11 ALA C C 11 175.479 175.181 0.298 1
1 50 . 3 1 1 A 12 12 PRO CA C 12 62.757 62.260 0.497 1
1 51 . 3 1 1 A 12 12 PRO HA H 12 4.386 4.627 -0.241 1
1 52 . 3 1 1 A 12 12 PRO CB C 12 32.104 33.125 -1.021 1
1 57 . 3 1 1 A 12 12 PRO C C 12 176.478 175.211 1.267 1
1 61 . 3 1 1 A 13 13 ILE N N 13 124.607 121.051 3.556 1
1 62 . 3 1 1 A 13 13 ILE H H 13 8.661 8.280 0.381 1
1 63 . 3 1 1 A 13 13 ILE CA C 13 59.081 58.043 1.038 1
1 64 . 3 1 1 A 13 13 ILE HA H 13 4.288 4.491 -0.203 1
1 65 . 3 1 1 A 13 13 ILE CB C 13 39.710 40.095 -0.385 1
1 77 . 3 1 1 A 13 13 ILE C C 13 174.727 174.381 0.346 1
1 79 . 3 1 1 A 14 14 PRO CA C 14 63.433 62.241 1.192 1
1 80 . 3 1 1 A 14 14 PRO HA H 14 4.457 4.603 -0.146 1
1 81 . 3 1 1 A 14 14 PRO CB C 14 32.428 32.478 -0.050 1
1 86 . 3 1 1 A 14 14 PRO C C 14 175.380 176.343 -0.963 1
1 90 . 3 1 1 A 15 15 ASP N N 15 118.741 122.114 -3.373 1
1 91 . 3 1 1 A 15 15 ASP H H 15 8.042 8.537 -0.495 1
1 92 . 3 1 1 A 15 15 ASP CA C 15 54.213 55.009 -0.796 1
1 93 . 3 1 1 A 15 15 ASP HA H 15 5.064 4.942 0.122 1
1 94 . 3 1 1 A 15 15 ASP CB C 15 41.793 41.488 0.305 1
1 96 . 3 1 1 A 15 15 ASP C C 15 176.413 175.915 0.498 1
1 98 . 3 1 1 A 16 16 LEU N N 16 121.451 123.130 -1.679 1
1 99 . 3 1 1 A 16 16 LEU H H 16 9.016 8.496 0.520 1
1 100 . 3 1 1 A 16 16 LEU CA C 16 53.914 54.314 -0.400 1
1 101 . 3 1 1 A 16 16 LEU HA H 16 4.847 5.028 -0.181 1
1 102 . 3 1 1 A 16 16 LEU CB C 16 48.283 46.050 2.233 1
1 114 . 3 1 1 A 16 16 LEU C C 16 174.915 174.137 0.778 1
1 116 . 3 1 1 A 17 17 LYS N N 17 130.346 127.369 2.977 1
1 117 . 3 1 1 A 17 17 LYS H H 17 8.937 8.918 0.019 1
1 118 . 3 1 1 A 17 17 LYS CA C 17 57.027 56.541 0.486 1
1 119 . 3 1 1 A 17 17 LYS HA H 17 4.821 4.507 0.314 1
1 120 . 3 1 1 A 17 17 LYS CB C 17 31.991 32.645 -0.654 1
1 128 . 3 1 1 A 17 17 LYS C C 17 177.744 176.363 1.381 1
1 133 . 3 1 1 A 18 18 VAL N N 18 116.605 121.779 -5.174 1
1 134 . 3 1 1 A 18 18 VAL H H 18 8.228 8.431 -0.203 1
1 135 . 3 1 1 A 18 18 VAL CA C 18 60.586 62.114 -1.528 1
1 136 . 3 1 1 A 18 18 VAL HA H 18 4.807 4.422 0.385 1
1 137 . 3 1 1 A 18 18 VAL CB C 18 33.601 33.646 -0.045 1
1 147 . 3 1 1 A 18 18 VAL C C 18 174.118 175.812 -1.694 1
1 148 . 3 1 1 A 19 19 PHE N N 19 120.586 121.216 -0.630 1
1 149 . 3 1 1 A 19 19 PHE H H 19 7.429 7.094 0.335 1
1 150 . 3 1 1 A 19 19 PHE CA C 19 57.947 57.231 0.716 1
1 151 . 3 1 1 A 19 19 PHE HA H 19 4.544 4.573 -0.029 1
1 152 . 3 1 1 A 19 19 PHE CB C 19 43.455 42.300 1.155 1
1 162 . 3 1 1 A 19 19 PHE C C 19 172.947 172.796 0.151 1
1 164 . 3 1 1 A 20 20 GLU N N 20 126.790 126.499 0.291 1
1 165 . 3 1 1 A 20 20 GLU H H 20 7.620 8.503 -0.883 1
1 166 . 3 1 1 A 20 20 GLU CA C 20 55.117 54.742 0.375 1
1 167 . 3 1 1 A 20 20 GLU HA H 20 5.059 4.979 0.080 1
1 168 . 3 1 1 A 20 20 GLU CB C 20 32.091 32.800 -0.709 1
1 172 . 3 1 1 A 20 20 GLU C C 20 174.073 174.090 -0.017 1
1 175 . 3 1 1 A 21 21 ARG N N 21 125.153 126.990 -1.837 1
1 176 . 3 1 1 A 21 21 ARG H H 21 8.806 9.048 -0.242 1
1 177 . 3 1 1 A 21 21 ARG CA C 21 56.532 53.745 2.787 1
1 178 . 3 1 1 A 21 21 ARG HA H 21 4.234 4.863 -0.629 1
1 179 . 3 1 1 A 21 21 ARG CB C 21 33.707 33.649 0.058 1
1 185 . 3 1 1 A 21 21 ARG C C 21 176.293 177.240 -0.947 1
1 189 . 3 1 1 A 22 22 GLU N N 22 132.286 124.219 8.067 1
1 190 . 3 1 1 A 22 22 GLU H H 22 9.887 8.900 0.987 1
1 191 . 3 1 1 A 22 22 GLU CA C 22 57.271 58.639 -1.368 1
1 192 . 3 1 1 A 22 22 GLU HA H 22 3.968 4.092 -0.124 1
1 193 . 3 1 1 A 22 22 GLU CB C 22 28.595 29.104 -0.509 1
1 197 . 3 1 1 A 22 22 GLU C C 22 175.219 176.926 -1.707 1
1 200 . 3 1 1 A 23 23 GLY N N 23 103.445 107.611 -4.166 1
1 201 . 3 1 1 A 23 23 GLY H H 23 8.570 7.985 0.585 1
1 202 . 3 1 1 A 23 23 GLY CA C 23 45.698 45.903 -0.205 1
1 203 . 3 1 1 A 23 23 GLY HA3 H 23 4.242 4.225 0.017 1
1 204 . 3 1 1 A 23 23 GLY C C 23 173.517 174.098 -0.581 1
1 205 . 3 1 1 A 23 23 GLY HA2 H 23 3.658 4.218 -0.560 1
1 206 . 3 1 1 A 24 24 VAL N N 24 124.489 120.308 4.181 1
1 207 . 3 1 1 A 24 24 VAL H H 24 8.016 7.596 0.420 1
1 208 . 3 1 1 A 24 24 VAL CA C 24 61.341 62.686 -1.345 1
1 209 . 3 1 1 A 24 24 VAL HA H 24 4.780 3.982 0.798 1
1 210 . 3 1 1 A 24 24 VAL CB C 24 32.051 31.919 0.132 1
1 220 . 3 1 1 A 24 24 VAL C C 24 175.459 175.057 0.402 1
1 221 . 3 1 1 A 25 25 GLN N N 25 123.296 126.933 -3.637 1
1 222 . 3 1 1 A 25 25 GLN H H 25 8.446 8.755 -0.309 1
1 223 . 3 1 1 A 25 25 GLN CA C 25 53.879 54.434 -0.555 1
1 224 . 3 1 1 A 25 25 GLN HA H 25 5.378 5.025 0.353 1
1 225 . 3 1 1 A 25 25 GLN CB C 25 33.065 31.816 1.249 1
1 232 . 3 1 1 A 25 25 GLN C C 25 174.348 174.114 0.234 1
1 235 . 3 1 1 A 26 26 LEU N N 26 120.847 126.092 -5.245 1
1 236 . 3 1 1 A 26 26 LEU H H 26 8.579 9.274 -0.695 1
1 237 . 3 1 1 A 26 26 LEU CA C 26 53.914 53.557 0.357 1
1 238 . 3 1 1 A 26 26 LEU HA H 26 5.400 5.320 0.080 1
1 239 . 3 1 1 A 26 26 LEU CB C 26 47.336 45.907 1.429 1
1 251 . 3 1 1 A 26 26 LEU C C 26 174.842 174.642 0.200 1
1 253 . 3 1 1 A 27 27 ASN N N 27 124.346 124.387 -0.041 1
1 254 . 3 1 1 A 27 27 ASN H H 27 8.738 8.864 -0.126 1
1 255 . 3 1 1 A 27 27 ASN CA C 27 52.063 51.930 0.133 1
1 256 . 3 1 1 A 27 27 ASN HA H 27 5.542 5.413 0.129 1
1 257 . 3 1 1 A 27 27 ASN CB C 27 43.866 41.939 1.927 1
1 262 . 3 1 1 A 27 27 ASN C C 27 173.520 174.028 -0.508 1
1 264 . 3 1 1 A 28 28 LEU N N 28 124.198 124.123 0.075 1
1 265 . 3 1 1 A 28 28 LEU H H 28 9.406 8.943 0.463 1
1 266 . 3 1 1 A 28 28 LEU CA C 28 53.773 53.581 0.192 1
1 267 . 3 1 1 A 28 28 LEU HA H 28 4.995 5.170 -0.175 1
1 268 . 3 1 1 A 28 28 LEU CB C 28 44.307 46.480 -2.173 1
1 280 . 3 1 1 A 28 28 LEU C C 28 174.670 174.111 0.559 1
1 282 . 3 1 1 A 29 29 SER N N 29 115.017 122.636 -7.619 1
1 283 . 3 1 1 A 29 29 SER H H 29 8.314 8.316 -0.002 1
1 284 . 3 1 1 A 29 29 SER CA C 29 56.340 57.188 -0.848 1
1 285 . 3 1 1 A 29 29 SER HA H 29 4.807 5.062 -0.255 1
1 286 . 3 1 1 A 29 29 SER CB C 29 65.926 65.816 0.110 1
1 288 . 3 1 1 A 29 29 SER C C 29 172.842 173.283 -0.441 1
1 290 . 3 1 1 A 30 30 PHE N N 30 119.941 123.657 -3.716 1
1 291 . 3 1 1 A 30 30 PHE H H 30 9.366 9.073 0.293 1
1 292 . 3 1 1 A 30 30 PHE CA C 30 57.047 56.420 0.627 1
1 293 . 3 1 1 A 30 30 PHE HA H 30 5.374 5.292 0.082 1
1 294 . 3 1 1 A 30 30 PHE CB C 30 44.307 42.186 2.121 1
1 306 . 3 1 1 A 30 30 PHE C C 30 175.242 175.293 -0.051 1
1 308 . 3 1 1 A 31 31 ILE N N 31 122.161 120.606 1.555 1
1 309 . 3 1 1 A 31 31 ILE H H 31 8.950 8.693 0.257 1
1 310 . 3 1 1 A 31 31 ILE CA C 31 60.680 60.799 -0.119 1
1 311 . 3 1 1 A 31 31 ILE HA H 31 4.338 4.845 -0.507 1
1 312 . 3 1 1 A 31 31 ILE CB C 31 42.354 41.291 1.063 1
1 324 . 3 1 1 A 31 31 ILE C C 31 174.368 174.947 -0.579 1
1 326 . 3 1 1 A 32 32 ARG N N 32 128.976 127.579 1.397 1
1 327 . 3 1 1 A 32 32 ARG H H 32 8.773 8.962 -0.189 1
1 328 . 3 1 1 A 32 32 ARG CA C 32 51.444 52.804 -1.360 1
1 329 . 3 1 1 A 32 32 ARG HA H 32 5.263 4.927 0.336 1
1 330 . 3 1 1 A 32 32 ARG CB C 32 29.600 31.378 -1.778 1
1 338 . 3 1 1 A 32 32 ARG C C 32 173.585 173.819 -0.234 1
1 342 . 3 1 1 A 33 33 PRO CA C 33 60.759 61.921 -1.162 1
1 343 . 3 1 1 A 33 33 PRO HA H 33 4.581 4.701 -0.120 1
1 344 . 3 1 1 A 33 33 PRO CB C 33 32.219 32.425 -0.206 1
1 353 . 3 1 1 A 34 34 PRO CA C 34 64.464 65.254 -0.790 1
1 354 . 3 1 1 A 34 34 PRO HA H 34 4.236 4.223 0.013 1
1 355 . 3 1 1 A 34 34 PRO CB C 34 31.997 32.055 -0.058 1
1 361 . 3 1 1 A 34 34 PRO C C 34 178.240 178.354 -0.114 1
1 365 . 3 1 1 A 35 35 GLU N N 35 115.025 115.529 -0.504 1
1 366 . 3 1 1 A 35 35 GLU H H 35 9.287 8.867 0.420 1
1 367 . 3 1 1 A 35 35 GLU CA C 35 57.753 58.807 -1.054 1
1 368 . 3 1 1 A 35 35 GLU HA H 35 4.205 4.122 0.083 1
1 369 . 3 1 1 A 35 35 GLU CB C 35 28.595 28.865 -0.270 1
1 373 . 3 1 1 A 35 35 GLU C C 35 176.471 176.842 -0.371 1
1 376 . 3 1 1 A 36 36 ASN N N 36 114.302 117.984 -3.682 1
1 377 . 3 1 1 A 36 36 ASN H H 36 7.257 7.934 -0.677 1
1 378 . 3 1 1 A 36 36 ASN CA C 36 50.593 50.261 0.332 1
1 379 . 3 1 1 A 36 36 ASN HA H 36 5.024 5.181 -0.157 1
1 380 . 3 1 1 A 36 36 ASN CB C 36 39.094 39.104 -0.010 1
1 385 . 3 1 1 A 36 36 ASN C C 36 172.128 173.564 -1.436 1
1 387 . 3 1 1 A 37 37 PRO CA C 37 64.287 64.201 0.086 1
1 388 . 3 1 1 A 37 37 PRO HA H 37 4.600 4.499 0.101 1
1 389 . 3 1 1 A 37 37 PRO CB C 37 32.235 31.825 0.410 1
1 394 . 3 1 1 A 37 37 PRO C C 37 176.707 177.335 -0.628 1
1 398 . 3 1 1 A 38 38 ALA N N 38 117.780 118.864 -1.084 1
1 399 . 3 1 1 A 38 38 ALA H H 38 7.596 8.107 -0.511 1
1 400 . 3 1 1 A 38 38 ALA CA C 38 52.674 52.522 0.152 1
1 401 . 3 1 1 A 38 38 ALA HA H 38 4.262 4.483 -0.221 1
1 402 . 3 1 1 A 38 38 ALA CB C 38 19.201 19.850 -0.649 1
1 406 . 3 1 1 A 38 38 ALA C C 38 176.546 177.467 -0.921 1
1 407 . 3 1 1 A 39 39 LEU N N 39 122.870 121.193 1.677 1
1 408 . 3 1 1 A 39 39 LEU H H 39 7.963 7.291 0.672 1
1 409 . 3 1 1 A 39 39 LEU CA C 39 54.548 54.076 0.472 1
1 410 . 3 1 1 A 39 39 LEU HA H 39 4.953 4.834 0.119 1
1 411 . 3 1 1 A 39 39 LEU CB C 39 44.768 43.366 1.402 1
1 423 . 3 1 1 A 39 39 LEU C C 39 173.627 175.363 -1.736 1
1 425 . 3 1 1 A 40 40 LEU N N 40 125.985 129.580 -3.595 1
1 426 . 3 1 1 A 40 40 LEU H H 40 9.247 9.434 -0.187 1
1 427 . 3 1 1 A 40 40 LEU CA C 40 53.914 53.613 0.301 1
1 428 . 3 1 1 A 40 40 LEU HA H 40 5.018 5.143 -0.125 1
1 429 . 3 1 1 A 40 40 LEU CB C 40 45.014 44.670 0.344 1
1 441 . 3 1 1 A 40 40 LEU C C 40 174.170 174.872 -0.702 1
1 443 . 3 1 1 A 41 41 LEU N N 41 125.906 129.232 -3.326 1
1 444 . 3 1 1 A 41 41 LEU H H 41 9.224 9.197 0.027 1
1 445 . 3 1 1 A 41 41 LEU CA C 41 53.190 53.798 -0.608 1
1 446 . 3 1 1 A 41 41 LEU HA H 41 5.222 5.284 -0.062 1
1 447 . 3 1 1 A 41 41 LEU CB C 41 42.034 42.276 -0.242 1
1 459 . 3 1 1 A 41 41 LEU C C 41 177.109 175.896 1.213 1
1 461 . 3 1 1 A 42 42 ILE N N 42 124.731 125.589 -0.858 1
1 462 . 3 1 1 A 42 42 ILE H H 42 9.087 8.860 0.227 1
1 463 . 3 1 1 A 42 42 ILE CA C 42 59.794 60.020 -0.226 1
1 464 . 3 1 1 A 42 42 ILE HA H 42 5.055 5.083 -0.028 1
1 465 . 3 1 1 A 42 42 ILE CB C 42 41.019 40.176 0.843 1
1 477 . 3 1 1 A 42 42 ILE C C 42 175.074 175.104 -0.030 1
1 479 . 3 1 1 A 43 43 THR N N 43 123.315 121.005 2.310 1
1 480 . 3 1 1 A 43 43 THR H H 43 8.589 8.956 -0.367 1
1 481 . 3 1 1 A 43 43 THR CA C 43 61.677 61.938 -0.261 1
1 482 . 3 1 1 A 43 43 THR HA H 43 5.023 5.055 -0.032 1
1 483 . 3 1 1 A 43 43 THR CB C 43 69.838 71.637 -1.799 1
1 489 . 3 1 1 A 43 43 THR C C 43 174.993 173.038 1.955 1
1 490 . 3 1 1 A 44 44 ILE N N 44 126.677 129.114 -2.437 1
1 491 . 3 1 1 A 44 44 ILE H H 44 9.329 8.873 0.456 1
1 492 . 3 1 1 A 44 44 ILE CA C 44 59.794 60.810 -1.016 1
1 493 . 3 1 1 A 44 44 ILE HA H 44 4.953 4.705 0.248 1
1 494 . 3 1 1 A 44 44 ILE CB C 44 38.754 39.155 -0.401 1
1 506 . 3 1 1 A 44 44 ILE C C 44 174.670 175.535 -0.865 1
1 508 . 3 1 1 A 45 45 THR N N 45 120.442 122.460 -2.018 1
1 509 . 3 1 1 A 45 45 THR H H 45 8.740 8.670 0.070 1
1 510 . 3 1 1 A 45 45 THR CA C 45 61.579 61.259 0.320 1
1 511 . 3 1 1 A 45 45 THR HA H 45 5.266 4.865 0.401 1
1 512 . 3 1 1 A 45 45 THR CB C 45 70.338 70.194 0.144 1
1 518 . 3 1 1 A 45 45 THR C C 45 174.494 173.474 1.020 1
1 519 . 3 1 1 A 46 46 ALA N N 46 134.267 129.432 4.835 1
1 520 . 3 1 1 A 46 46 ALA H H 46 9.489 8.791 0.698 1
1 521 . 3 1 1 A 46 46 ALA CA C 46 49.846 51.059 -1.213 1
1 522 . 3 1 1 A 46 46 ALA HA H 46 5.554 4.806 0.748 1
1 523 . 3 1 1 A 46 46 ALA CB C 46 20.414 19.907 0.507 1
1 527 . 3 1 1 A 46 46 ALA C C 46 174.819 177.233 -2.414 1
1 528 . 3 1 1 A 47 47 THR N N 47 111.611 113.907 -2.296 1
1 529 . 3 1 1 A 47 47 THR H H 47 8.431 8.950 -0.519 1
1 530 . 3 1 1 A 47 47 THR CA C 47 59.331 59.615 -0.284 1
1 531 . 3 1 1 A 47 47 THR HA H 47 4.409 5.070 -0.661 1
1 532 . 3 1 1 A 47 47 THR CB C 47 71.655 71.429 0.226 1
1 538 . 3 1 1 A 47 47 THR C C 47 173.104 172.647 0.457 1
1 539 . 3 1 1 A 48 48 ASN N N 48 117.087 120.472 -3.385 1
1 540 . 3 1 1 A 48 48 ASN H H 48 8.647 8.315 0.332 1
1 541 . 3 1 1 A 48 48 ASN CA C 48 51.019 51.712 -0.693 1
1 542 . 3 1 1 A 48 48 ASN HA H 48 5.096 5.110 -0.014 1
1 543 . 3 1 1 A 48 48 ASN CB C 48 39.880 41.799 -1.919 1
1 548 . 3 1 1 A 48 48 ASN C C 48 173.769 174.004 -0.235 1
1 550 . 3 1 1 A 49 49 PHE N N 49 123.238 122.734 0.504 1
1 551 . 3 1 1 A 49 49 PHE H H 49 9.105 8.503 0.602 1
1 552 . 3 1 1 A 49 49 PHE CA C 49 57.422 58.534 -1.112 1
1 553 . 3 1 1 A 49 49 PHE HA H 49 4.601 4.684 -0.083 1
1 554 . 3 1 1 A 49 49 PHE CB C 49 38.770 40.812 -2.042 1
1 566 . 3 1 1 A 49 49 PHE C C 49 176.238 175.570 0.668 1
1 568 . 3 1 1 A 50 50 SER N N 50 118.477 114.052 4.425 1
1 569 . 3 1 1 A 50 50 SER H H 50 8.344 7.722 0.622 1
1 570 . 3 1 1 A 50 50 SER CA C 50 58.654 58.367 0.287 1
1 571 . 3 1 1 A 50 50 SER HA H 50 4.933 4.416 0.517 1
1 572 . 3 1 1 A 50 50 SER CB C 50 66.611 64.802 1.809 1
1 573 . 3 1 1 A 50 50 SER C C 50 173.089 175.611 -2.522 1
1 574 . 3 1 1 A 51 51 GLU N N 51 114.036 121.760 -7.724 1
1 575 . 3 1 1 A 51 51 GLU H H 51 9.051 9.003 0.048 1
1 576 . 3 1 1 A 51 51 GLU CA C 51 56.701 59.109 -2.408 1
1 577 . 3 1 1 A 51 51 GLU HA H 51 4.358 4.123 0.235 1
1 578 . 3 1 1 A 51 51 GLU CB C 51 30.323 29.482 0.841 1
1 582 . 3 1 1 A 51 51 GLU C C 51 175.603 177.172 -1.569 1
1 585 . 3 1 1 A 52 52 GLY N N 52 109.625 107.720 1.905 1
1 586 . 3 1 1 A 52 52 GLY H H 52 8.525 7.318 1.207 1
1 587 . 3 1 1 A 52 52 GLY CA C 52 44.267 44.244 0.023 1
1 588 . 3 1 1 A 52 52 GLY HA3 H 52 4.505 3.500 1.005 1
1 589 . 3 1 1 A 52 52 GLY C C 52 173.168 172.216 0.952 1
1 590 . 3 1 1 A 52 52 GLY HA2 H 52 2.842 2.567 0.275 1
1 591 . 3 1 1 A 53 53 ASP N N 53 125.175 123.317 1.858 1
1 592 . 3 1 1 A 53 53 ASP H H 53 9.001 8.356 0.645 1
1 593 . 3 1 1 A 53 53 ASP CA C 53 55.793 54.349 1.444 1
1 594 . 3 1 1 A 53 53 ASP HA H 53 4.082 4.828 -0.746 1
1 595 . 3 1 1 A 53 53 ASP CB C 53 40.522 42.150 -1.628 1
1 597 . 3 1 1 A 53 53 ASP C C 53 176.506 175.578 0.928 1
1 599 . 3 1 1 A 54 54 VAL N N 54 125.250 121.019 4.231 1
1 600 . 3 1 1 A 54 54 VAL H H 54 7.873 7.818 0.055 1
1 601 . 3 1 1 A 54 54 VAL CA C 54 61.350 60.920 0.430 1
1 602 . 3 1 1 A 54 54 VAL HA H 54 4.759 4.862 -0.103 1
1 603 . 3 1 1 A 54 54 VAL CB C 54 32.808 33.858 -1.050 1
1 613 . 3 1 1 A 54 54 VAL C C 54 176.126 175.055 1.071 1
1 614 . 3 1 1 A 55 55 THR N N 55 116.888 117.169 -0.281 1
1 615 . 3 1 1 A 55 55 THR H H 55 9.004 8.471 0.533 1
1 616 . 3 1 1 A 55 55 THR CA C 55 59.194 59.871 -0.677 1
1 617 . 3 1 1 A 55 55 THR HA H 55 4.920 4.707 0.213 1
1 618 . 3 1 1 A 55 55 THR CB C 55 72.508 72.053 0.455 1
1 624 . 3 1 1 A 55 55 THR C C 55 173.166 173.375 -0.209 1
1 625 . 3 1 1 A 56 56 HIS N N 56 115.667 116.783 -1.116 1
1 626 . 3 1 1 A 56 56 HIS H H 56 9.193 8.350 0.843 1
1 627 . 3 1 1 A 56 56 HIS CA C 56 56.363 56.543 -0.180 1
1 628 . 3 1 1 A 56 56 HIS HA H 56 4.153 4.076 0.077 1
1 629 . 3 1 1 A 56 56 HIS CB C 56 26.923 27.273 -0.350 1
1 635 . 3 1 1 A 56 56 HIS C C 56 173.611 173.888 -0.277 1
1 637 . 3 1 1 A 57 57 PHE N N 57 118.625 118.943 -0.318 1
1 638 . 3 1 1 A 57 57 PHE H H 57 8.932 8.227 0.705 1
1 639 . 3 1 1 A 57 57 PHE CA C 57 59.503 58.839 0.664 1
1 640 . 3 1 1 A 57 57 PHE HA H 57 4.819 4.606 0.213 1
1 641 . 3 1 1 A 57 57 PHE CB C 57 39.871 39.549 0.322 1
1 653 . 3 1 1 A 57 57 PHE C C 57 176.025 175.174 0.851 1
1 655 . 3 1 1 A 58 58 ILE N N 58 131.418 128.101 3.317 1
1 656 . 3 1 1 A 58 58 ILE H H 58 8.989 8.552 0.437 1
1 657 . 3 1 1 A 58 58 ILE CA C 58 61.138 59.911 1.227 1
1 658 . 3 1 1 A 58 58 ILE HA H 58 4.001 4.438 -0.437 1
1 659 . 3 1 1 A 58 58 ILE CB C 58 41.349 41.369 -0.020 1
1 671 . 3 1 1 A 58 58 ILE C C 58 173.046 173.941 -0.895 1
1 673 . 3 1 1 A 59 59 CYS N N 59 126.838 127.874 -1.036 1
1 674 . 3 1 1 A 59 59 CYS H H 59 8.844 8.728 0.116 1
1 675 . 3 1 1 A 59 59 CYS CA C 59 56.902 56.711 0.191 1
1 676 . 3 1 1 A 59 59 CYS HA H 59 5.044 5.114 -0.070 1
1 677 . 3 1 1 A 59 59 CYS CB C 59 28.363 29.906 -1.543 1
1 679 . 3 1 1 A 59 59 CYS C C 59 173.375 173.415 -0.040 1
1 681 . 3 1 1 A 60 60 GLN N N 60 126.903 126.229 0.674 1
1 682 . 3 1 1 A 60 60 GLN H H 60 8.929 8.538 0.391 1
1 683 . 3 1 1 A 60 60 GLN CA C 60 54.162 54.547 -0.385 1
1 684 . 3 1 1 A 60 60 GLN HA H 60 4.656 5.139 -0.483 1
1 685 . 3 1 1 A 60 60 GLN CB C 60 31.991 31.540 0.451 1
1 691 . 3 1 1 A 60 60 GLN C C 60 174.000 174.547 -0.547 1
1 694 . 3 1 1 A 61 61 ALA N N 61 124.049 121.302 2.747 1
1 695 . 3 1 1 A 61 61 ALA H H 61 8.178 8.548 -0.370 1
1 696 . 3 1 1 A 61 61 ALA CA C 61 50.160 51.049 -0.889 1
1 697 . 3 1 1 A 61 61 ALA HA H 61 5.192 5.252 -0.060 1
1 698 . 3 1 1 A 61 61 ALA CB C 61 23.419 23.755 -0.336 1
1 702 . 3 1 1 A 61 61 ALA C C 61 175.076 175.393 -0.317 1
1 703 . 3 1 1 A 62 62 ALA N N 62 121.362 121.195 0.167 1
1 704 . 3 1 1 A 62 62 ALA H H 62 8.488 8.498 -0.010 1
1 705 . 3 1 1 A 62 62 ALA CA C 62 51.309 50.849 0.460 1
1 706 . 3 1 1 A 62 62 ALA HA H 62 4.667 5.310 -0.643 1
1 707 . 3 1 1 A 62 62 ALA CB C 62 22.617 22.916 -0.299 1
1 711 . 3 1 1 A 62 62 ALA C C 62 176.013 175.819 0.194 1
1 712 . 3 1 1 A 63 63 VAL N N 63 113.572 115.803 -2.231 1
1 713 . 3 1 1 A 63 63 VAL H H 63 8.271 8.644 -0.373 1
1 714 . 3 1 1 A 63 63 VAL CA C 63 57.691 57.828 -0.137 1
1 715 . 3 1 1 A 63 63 VAL HA H 63 5.045 4.938 0.107 1
1 716 . 3 1 1 A 63 63 VAL CB C 63 32.968 34.221 -1.253 1
1 726 . 3 1 1 A 63 63 VAL C C 63 173.707 173.435 0.272 1
1 727 . 3 1 1 A 64 64 PRO CA C 64 62.757 62.480 0.277 1
1 728 . 3 1 1 A 64 64 PRO HA H 64 4.459 4.587 -0.128 1
1 729 . 3 1 1 A 64 64 PRO CB C 64 32.728 32.504 0.224 1
1 735 . 3 1 1 A 64 64 PRO C C 64 176.348 177.509 -1.161 1
1 739 . 3 1 1 A 65 65 LYS N N 65 118.624 123.344 -4.720 1
1 740 . 3 1 1 A 65 65 LYS H H 65 8.323 8.525 -0.202 1
1 741 . 3 1 1 A 65 65 LYS CA C 65 58.516 59.967 -1.451 1
1 742 . 3 1 1 A 65 65 LYS HA H 65 4.183 3.873 0.310 1
1 743 . 3 1 1 A 65 65 LYS CB C 65 32.320 32.215 0.105 1
1 751 . 3 1 1 A 65 65 LYS C C 65 176.595 178.699 -2.104 1
1 756 . 3 1 1 A 66 66 SER N N 66 111.762 115.999 -4.237 1
1 757 . 3 1 1 A 66 66 SER H H 66 7.779 8.095 -0.316 1
1 758 . 3 1 1 A 66 66 SER CA C 66 59.298 62.376 -3.078 1
1 759 . 3 1 1 A 66 66 SER HA H 66 4.234 4.123 0.111 1
1 760 . 3 1 1 A 66 66 SER CB C 66 62.984 62.817 0.167 1
1 762 . 3 1 1 A 66 66 SER C C 66 174.137 174.977 -0.840 1
1 764 . 3 1 1 A 67 67 LEU N N 67 124.569 118.402 6.167 1
1 765 . 3 1 1 A 67 67 LEU H H 67 8.109 7.865 0.244 1
1 766 . 3 1 1 A 67 67 LEU CA C 67 54.940 53.089 1.851 1
1 767 . 3 1 1 A 67 67 LEU HA H 67 4.836 5.027 -0.191 1
1 768 . 3 1 1 A 67 67 LEU CB C 67 43.882 44.542 -0.660 1
1 780 . 3 1 1 A 67 67 LEU C C 67 174.925 175.868 -0.943 1
1 782 . 3 1 1 A 68 68 GLN N N 68 117.163 121.005 -3.842 1
1 783 . 3 1 1 A 68 68 GLN H H 68 8.063 8.790 -0.727 1
1 784 . 3 1 1 A 68 68 GLN CA C 68 54.829 54.152 0.677 1
1 785 . 3 1 1 A 68 68 GLN HA H 68 4.674 5.065 -0.391 1
1 786 . 3 1 1 A 68 68 GLN CB C 68 31.579 32.443 -0.864 1
1 793 . 3 1 1 A 68 68 GLN C C 68 174.077 173.612 0.465 1
1 796 . 3 1 1 A 69 69 LEU N N 69 126.046 123.925 2.121 1
1 797 . 3 1 1 A 69 69 LEU H H 69 8.676 8.911 -0.235 1
1 798 . 3 1 1 A 69 69 LEU CA C 69 54.073 53.989 0.084 1
1 799 . 3 1 1 A 69 69 LEU HA H 69 5.231 5.196 0.035 1
1 800 . 3 1 1 A 69 69 LEU CB C 69 45.602 46.325 -0.723 1
1 811 . 3 1 1 A 69 69 LEU C C 69 175.497 174.482 1.015 1
1 813 . 3 1 1 A 70 70 GLN N N 70 126.758 126.005 0.753 1
1 814 . 3 1 1 A 70 70 GLN H H 70 9.410 9.044 0.366 1
1 815 . 3 1 1 A 70 70 GLN CA C 70 54.657 54.353 0.304 1
1 816 . 3 1 1 A 70 70 GLN HA H 70 4.746 4.927 -0.181 1
1 817 . 3 1 1 A 70 70 GLN CB C 70 31.537 32.567 -1.030 1
1 824 . 3 1 1 A 70 70 GLN C C 70 174.686 174.259 0.427 1
1 827 . 3 1 1 A 71 71 LEU N N 71 126.413 128.407 -1.994 1
1 828 . 3 1 1 A 71 71 LEU H H 71 8.936 8.749 0.187 1
1 829 . 3 1 1 A 71 71 LEU CA C 71 55.294 54.376 0.918 1
1 830 . 3 1 1 A 71 71 LEU HA H 71 4.752 4.639 0.113 1
1 831 . 3 1 1 A 71 71 LEU CB C 71 43.898 42.996 0.902 1
1 843 . 3 1 1 A 71 71 LEU C C 71 176.498 175.534 0.964 1
1 845 . 3 1 1 A 72 72 GLN N N 72 121.553 127.383 -5.830 1
1 846 . 3 1 1 A 72 72 GLN H H 72 8.100 8.083 0.017 1
1 847 . 3 1 1 A 72 72 GLN CA C 72 54.209 55.334 -1.125 1
1 848 . 3 1 1 A 72 72 GLN HA H 72 4.589 4.350 0.239 1
1 849 . 3 1 1 A 72 72 GLN CB C 72 31.142 29.886 1.256 1
1 856 . 3 1 1 A 72 72 GLN C C 72 174.254 176.068 -1.814 1
1 859 . 3 1 1 A 73 73 ALA N N 73 124.262 127.018 -2.756 1
1 860 . 3 1 1 A 73 73 ALA H H 73 8.452 8.343 0.109 1
1 861 . 3 1 1 A 73 73 ALA CA C 73 51.211 50.352 0.859 1
1 862 . 3 1 1 A 73 73 ALA HA H 73 4.500 4.284 0.216 1
1 863 . 3 1 1 A 73 73 ALA CB C 73 17.185 19.455 -2.270 1
1 867 . 3 1 1 A 73 73 ALA C C 73 176.548 175.929 0.619 1
1 868 . 3 1 1 A 74 74 PRO CA C 74 62.160 62.542 -0.382 1
1 869 . 3 1 1 A 74 74 PRO HA H 74 4.848 4.580 0.268 1
1 870 . 3 1 1 A 74 74 PRO CB C 74 32.897 33.245 -0.348 1
1 874 . 3 1 1 A 74 74 PRO C C 74 177.266 176.680 0.586 1
1 878 . 3 1 1 A 75 75 SER N N 75 115.398 115.685 -0.287 1
1 879 . 3 1 1 A 75 75 SER H H 75 9.293 8.702 0.591 1
1 880 . 3 1 1 A 75 75 SER CA C 75 61.024 59.780 1.244 1
1 881 . 3 1 1 A 75 75 SER HA H 75 4.154 4.408 -0.254 1
1 882 . 3 1 1 A 75 75 SER CB C 75 62.867 64.219 -1.352 1
1 884 . 3 1 1 A 75 75 SER C C 75 174.460 174.365 0.095 1
1 886 . 3 1 1 A 76 76 GLY N N 76 106.233 106.635 -0.402 1
1 887 . 3 1 1 A 76 76 GLY H H 76 7.208 7.342 -0.134 1
1 888 . 3 1 1 A 76 76 GLY CA C 76 44.930 45.965 -1.035 1
1 889 . 3 1 1 A 76 76 GLY HA3 H 76 4.306 4.062 0.244 1
1 890 . 3 1 1 A 76 76 GLY C C 76 171.327 173.501 -2.174 1
1 891 . 3 1 1 A 76 76 GLY HA2 H 76 4.095 4.056 0.039 1
1 892 . 3 1 1 A 77 77 ASN CA C 77 53.060 52.790 0.270 1
1 893 . 3 1 1 A 77 77 ASN HA H 77 5.001 4.983 0.018 1
1 894 . 3 1 1 A 77 77 ASN CB C 77 40.650 39.987 0.663 1
1 899 . 3 1 1 A 77 77 ASN C C 77 173.427 174.052 -0.625 1
1 901 . 3 1 1 A 78 78 THR N N 78 114.705 116.052 -1.347 1
1 902 . 3 1 1 A 78 78 THR H H 78 7.579 7.665 -0.086 1
1 903 . 3 1 1 A 78 78 THR CA C 78 59.766 61.988 -2.222 1
1 904 . 3 1 1 A 78 78 THR HA H 78 5.174 4.749 0.425 1
1 905 . 3 1 1 A 78 78 THR CB C 78 71.855 70.729 1.126 1
1 911 . 3 1 1 A 78 78 THR C C 78 173.138 173.353 -0.215 1
1 912 . 3 1 1 A 79 79 VAL N N 79 123.606 125.679 -2.073 1
1 913 . 3 1 1 A 79 79 VAL H H 79 8.696 9.019 -0.323 1
1 914 . 3 1 1 A 79 79 VAL CA C 79 58.982 58.906 0.076 1
1 915 . 3 1 1 A 79 79 VAL HA H 79 4.495 4.520 -0.025 1
1 916 . 3 1 1 A 79 79 VAL CB C 79 32.717 35.268 -2.551 1
1 926 . 3 1 1 A 79 79 VAL C C 79 174.289 173.935 0.354 1
1 927 . 3 1 1 A 80 80 PRO CA C 80 63.184 62.198 0.986 1
1 928 . 3 1 1 A 80 80 PRO HA H 80 4.160 4.668 -0.508 1
1 929 . 3 1 1 A 80 80 PRO CB C 80 33.128 32.093 1.035 1
1 935 . 3 1 1 A 80 80 PRO C C 80 174.009 177.208 -3.199 1
1 939 . 3 1 1 A 81 81 ALA N N 81 120.000 126.316 -6.316 1
1 940 . 3 1 1 A 81 81 ALA H H 81 8.371 8.417 -0.046 1
1 941 . 3 1 1 A 81 81 ALA CA C 81 51.951 53.043 -1.092 1
1 942 . 3 1 1 A 81 81 ALA HA H 81 3.715 4.242 -0.527 1
1 943 . 3 1 1 A 81 81 ALA CB C 81 20.029 19.058 0.971 1
1 947 . 3 1 1 A 81 81 ALA C C 81 176.740 177.803 -1.063 1
1 948 . 3 1 1 A 82 82 ARG N N 82 111.901 118.141 -6.240 1
1 949 . 3 1 1 A 82 82 ARG H H 82 8.724 7.702 1.022 1
1 950 . 3 1 1 A 82 82 ARG CA C 82 57.062 55.184 1.878 1
1 951 . 3 1 1 A 82 82 ARG HA H 82 3.665 4.567 -0.902 1
1 952 . 3 1 1 A 82 82 ARG CB C 82 26.959 30.609 -3.650 1
1 958 . 3 1 1 A 82 82 ARG C C 82 176.777 175.951 0.826 1
1 962 . 3 1 1 A 83 83 GLY N N 83 107.610 109.186 -1.576 1
1 963 . 3 1 1 A 83 83 GLY H H 83 9.251 7.974 1.277 1
1 964 . 3 1 1 A 83 83 GLY CA C 83 46.389 47.030 -0.641 1
1 965 . 3 1 1 A 83 83 GLY HA3 H 83 3.731 4.147 -0.416 1
1 966 . 3 1 1 A 83 83 GLY C C 83 176.193 174.967 1.226 1
1 967 . 3 1 1 A 83 83 GLY HA2 H 83 3.352 3.997 -0.645 1
1 968 . 3 1 1 A 84 84 GLY N N 84 106.030 107.682 -1.652 1
1 969 . 3 1 1 A 84 84 GLY H H 84 7.015 8.036 -1.021 1
1 970 . 3 1 1 A 84 84 GLY CA C 84 45.272 44.541 0.731 1
1 971 . 3 1 1 A 84 84 GLY HA3 H 84 3.537 4.009 -0.472 1
1 972 . 3 1 1 A 84 84 GLY C C 84 171.651 173.645 -1.994 1
1 973 . 3 1 1 A 84 84 GLY HA2 H 84 3.891 3.982 -0.091 1
1 974 . 3 1 1 A 85 85 LEU N N 85 120.524 121.824 -1.300 1
1 975 . 3 1 1 A 85 85 LEU H H 85 7.903 7.979 -0.076 1
1 976 . 3 1 1 A 85 85 LEU CA C 85 53.494 51.002 2.492 1
1 977 . 3 1 1 A 85 85 LEU HA H 85 4.346 4.876 -0.530 1
1 978 . 3 1 1 A 85 85 LEU CB C 85 42.901 45.393 -2.492 1
1 990 . 3 1 1 A 85 85 LEU C C 85 174.362 174.748 -0.386 1
1 992 . 3 1 1 A 86 86 PRO CA C 86 62.752 62.225 0.527 1
1 993 . 3 1 1 A 86 86 PRO HA H 86 4.570 4.571 -0.001 1
1 994 . 3 1 1 A 86 86 PRO CB C 86 33.557 32.672 0.885 1
1 1000 . 3 1 1 A 86 86 PRO C C 86 178.338 175.834 2.504 1
1 1004 . 3 1 1 A 87 87 ILE N N 87 118.504 121.524 -3.020 1
1 1005 . 3 1 1 A 87 87 ILE H H 87 7.544 7.983 -0.439 1
1 1006 . 3 1 1 A 87 87 ILE CA C 87 60.571 60.252 0.319 1
1 1007 . 3 1 1 A 87 87 ILE HA H 87 4.021 4.722 -0.701 1
1 1008 . 3 1 1 A 87 87 ILE CB C 87 40.787 40.585 0.202 1
1 1020 . 3 1 1 A 87 87 ILE C C 87 175.620 175.515 0.105 1
1 1022 . 3 1 1 A 88 88 THR N N 88 115.839 115.376 0.463 1
1 1023 . 3 1 1 A 88 88 THR H H 88 8.788 8.837 -0.049 1
1 1024 . 3 1 1 A 88 88 THR CA C 88 58.935 60.557 -1.622 1
1 1025 . 3 1 1 A 88 88 THR HA H 88 5.678 5.577 0.101 1
1 1026 . 3 1 1 A 88 88 THR CB C 88 72.532 71.565 0.967 1
1 1032 . 3 1 1 A 88 88 THR C C 88 174.318 172.155 2.163 1
1 1033 . 3 1 1 A 89 89 GLN N N 89 121.295 123.426 -2.131 1
1 1034 . 3 1 1 A 89 89 GLN H H 89 8.399 9.075 -0.676 1
1 1035 . 3 1 1 A 89 89 GLN CA C 89 56.259 53.972 2.287 1
1 1036 . 3 1 1 A 89 89 GLN HA H 89 4.528 5.025 -0.497 1
1 1037 . 3 1 1 A 89 89 GLN CB C 89 30.760 32.294 -1.534 1
1 1044 . 3 1 1 A 89 89 GLN C C 89 172.439 173.312 -0.873 1
1 1047 . 3 1 1 A 90 90 LEU N N 90 129.715 128.236 1.479 1
1 1048 . 3 1 1 A 90 90 LEU H H 90 8.426 8.399 0.027 1
1 1049 . 3 1 1 A 90 90 LEU CA C 90 54.513 53.486 1.027 1
1 1050 . 3 1 1 A 90 90 LEU HA H 90 5.103 4.868 0.235 1
1 1051 . 3 1 1 A 90 90 LEU CB C 90 44.412 44.716 -0.304 1
1 1063 . 3 1 1 A 90 90 LEU C C 90 175.027 174.025 1.002 1
1 1065 . 3 1 1 A 91 91 PHE N N 91 123.227 124.179 -0.952 1
1 1066 . 3 1 1 A 91 91 PHE H H 91 9.647 8.767 0.880 1
1 1067 . 3 1 1 A 91 91 PHE CA C 91 55.327 56.136 -0.809 1
1 1068 . 3 1 1 A 91 91 PHE HA H 91 5.064 5.332 -0.268 1
1 1069 . 3 1 1 A 91 91 PHE CB C 91 40.899 42.408 -1.509 1
1 1081 . 3 1 1 A 91 91 PHE C C 91 174.296 174.669 -0.373 1
1 1083 . 3 1 1 A 92 92 ARG N N 92 121.174 123.226 -2.052 1
1 1084 . 3 1 1 A 92 92 ARG H H 92 8.726 8.912 -0.186 1
1 1085 . 3 1 1 A 92 92 ARG CA C 92 55.046 55.707 -0.661 1
1 1086 . 3 1 1 A 92 92 ARG HA H 92 5.109 4.805 0.304 1
1 1087 . 3 1 1 A 92 92 ARG CB C 92 32.524 30.809 1.715 1
1 1093 . 3 1 1 A 92 92 ARG C C 92 175.154 174.973 0.181 1
1 1097 . 3 1 1 A 93 93 ILE N N 93 126.629 125.303 1.326 1
1 1098 . 3 1 1 A 93 93 ILE H H 93 9.599 8.891 0.708 1
1 1099 . 3 1 1 A 93 93 ILE CA C 93 59.538 59.639 -0.101 1
1 1100 . 3 1 1 A 93 93 ILE HA H 93 5.206 5.248 -0.042 1
1 1101 . 3 1 1 A 93 93 ILE CB C 93 40.963 40.968 -0.005 1
1 1113 . 3 1 1 A 93 93 ILE C C 93 174.400 174.501 -0.101 1
1 1115 . 3 1 1 A 94 94 LEU N N 94 127.940 128.054 -0.114 1
1 1116 . 3 1 1 A 94 94 LEU H H 94 8.853 8.989 -0.136 1
1 1117 . 3 1 1 A 94 94 LEU CA C 94 53.673 53.658 0.015 1
1 1118 . 3 1 1 A 94 94 LEU HA H 94 5.152 5.006 0.146 1
1 1119 . 3 1 1 A 94 94 LEU CB C 94 44.245 42.532 1.713 1
1 1131 . 3 1 1 A 94 94 LEU C C 94 176.106 175.913 0.193 1
1 1133 . 3 1 1 A 95 95 ASN N N 95 119.567 122.875 -3.308 1
1 1134 . 3 1 1 A 95 95 ASN H H 95 9.271 9.096 0.175 1
1 1135 . 3 1 1 A 95 95 ASN CA C 95 49.634 50.740 -1.106 1
1 1136 . 3 1 1 A 95 95 ASN HA H 95 5.361 5.275 0.086 1
1 1137 . 3 1 1 A 95 95 ASN CB C 95 39.189 39.173 0.016 1
1 1142 . 3 1 1 A 95 95 ASN C C 95 173.779 173.965 -0.186 1
1 1144 . 3 1 1 A 96 96 PRO CA C 96 64.795 64.603 0.192 1
1 1145 . 3 1 1 A 96 96 PRO HA H 96 4.306 4.467 -0.161 1
1 1146 . 3 1 1 A 96 96 PRO CB C 96 32.010 31.930 0.080 1
1 1152 . 3 1 1 A 96 96 PRO C C 96 177.656 177.437 0.219 1
1 1156 . 3 1 1 A 97 97 ASN N N 97 114.343 114.795 -0.452 1
1 1157 . 3 1 1 A 97 97 ASN H H 97 8.840 7.858 0.982 1
1 1158 . 3 1 1 A 97 97 ASN CA C 97 52.889 53.554 -0.665 1
1 1159 . 3 1 1 A 97 97 ASN HA H 97 4.828 4.765 0.063 1
1 1160 . 3 1 1 A 97 97 ASN CB C 97 38.085 38.700 -0.615 1
1 1165 . 3 1 1 A 97 97 ASN C C 97 174.361 174.583 -0.222 1
1 1167 . 3 1 1 A 98 98 LYS N N 98 118.175 116.130 2.045 1
1 1168 . 3 1 1 A 98 98 LYS H H 98 7.735 7.601 0.134 1
1 1169 . 3 1 1 A 98 98 LYS CA C 98 57.625 57.147 0.478 1
1 1170 . 3 1 1 A 98 98 LYS HA H 98 3.780 3.868 -0.088 1
1 1171 . 3 1 1 A 98 98 LYS CB C 98 29.343 29.175 0.168 1
1 1179 . 3 1 1 A 98 98 LYS C C 98 174.779 174.960 -0.181 1
1 1184 . 3 1 1 A 99 99 ALA N N 99 122.321 121.299 1.022 1
1 1185 . 3 1 1 A 99 99 ALA H H 99 8.454 7.829 0.625 1
1 1186 . 3 1 1 A 99 99 ALA CA C 99 49.893 48.965 0.928 1
1 1187 . 3 1 1 A 99 99 ALA HA H 99 4.415 4.581 -0.166 1
1 1188 . 3 1 1 A 99 99 ALA CB C 99 18.125 20.165 -2.040 1
1 1192 . 3 1 1 A 99 99 ALA C C 99 175.018 176.228 -1.210 1
1 1193 . 3 1 1 A 100 100 PRO CA C 100 62.082 62.586 -0.504 1
1 1194 . 3 1 1 A 100 100 PRO CB C 100 31.068 31.188 -0.120 1
1 1203 . 3 1 1 A 101 101 LEU H H 101 5.223 8.746 -3.523 1
1 1204 . 3 1 1 A 101 101 LEU CA C 101 55.181 53.259 1.922 1
1 1205 . 3 1 1 A 101 101 LEU HA H 101 3.758 4.918 -1.160 1
1 1206 . 3 1 1 A 101 101 LEU CB C 101 43.103 43.304 -0.201 1
1 1218 . 3 1 1 A 101 101 LEU C C 101 174.350 176.195 -1.845 1
1 1220 . 3 1 1 A 102 102 ARG N N 102 122.304 119.902 2.402 1
1 1221 . 3 1 1 A 102 102 ARG H H 102 6.412 8.383 -1.971 1
1 1222 . 3 1 1 A 102 102 ARG CA C 102 54.659 54.355 0.304 1
1 1223 . 3 1 1 A 102 102 ARG HA H 102 4.500 4.831 -0.331 1
1 1224 . 3 1 1 A 102 102 ARG CB C 102 33.168 32.812 0.356 1
1 1230 . 3 1 1 A 102 102 ARG C C 102 173.625 174.844 -1.219 1
1 1234 . 3 1 1 A 103 103 LEU N N 103 119.849 123.983 -4.134 1
1 1235 . 3 1 1 A 103 103 LEU H H 103 8.301 8.775 -0.474 1
1 1236 . 3 1 1 A 103 103 LEU CA C 103 53.667 53.623 0.044 1
1 1237 . 3 1 1 A 103 103 LEU HA H 103 4.886 5.114 -0.228 1
1 1238 . 3 1 1 A 103 103 LEU CB C 103 47.097 46.685 0.412 1
1 1250 . 3 1 1 A 103 103 LEU C C 103 173.874 173.999 -0.125 1
1 1252 . 3 1 1 A 104 104 LYS N N 104 126.165 127.763 -1.598 1
1 1253 . 3 1 1 A 104 104 LYS H H 104 8.516 8.751 -0.235 1
1 1254 . 3 1 1 A 104 104 LYS CA C 104 55.117 54.730 0.387 1
1 1255 . 3 1 1 A 104 104 LYS HA H 104 4.773 4.860 -0.087 1
1 1256 . 3 1 1 A 104 104 LYS CB C 104 34.581 34.170 0.411 1
1 1264 . 3 1 1 A 104 104 LYS C C 104 174.980 174.764 0.216 1
1 1269 . 3 1 1 A 105 105 LEU N N 105 125.172 128.666 -3.494 1
1 1270 . 3 1 1 A 105 105 LEU H H 105 8.586 8.795 -0.209 1
1 1271 . 3 1 1 A 105 105 LEU CA C 105 53.059 53.060 -0.001 1
1 1272 . 3 1 1 A 105 105 LEU HA H 105 4.923 4.953 -0.030 1
1 1273 . 3 1 1 A 105 105 LEU CB C 105 44.358 43.830 0.528 1
1 1285 . 3 1 1 A 105 105 LEU C C 105 174.037 175.211 -1.174 1
1 1287 . 3 1 1 A 106 106 ARG N N 106 119.880 124.498 -4.618 1
1 1288 . 3 1 1 A 106 106 ARG H H 106 8.363 8.748 -0.385 1
1 1289 . 3 1 1 A 106 106 ARG CA C 106 54.374 54.386 -0.012 1
1 1290 . 3 1 1 A 106 106 ARG HA H 106 4.926 4.771 0.155 1
1 1291 . 3 1 1 A 106 106 ARG CB C 106 32.783 32.864 -0.081 1
1 1297 . 3 1 1 A 106 106 ARG C C 106 174.611 174.291 0.320 1
1 1301 . 3 1 1 A 107 107 LEU N N 107 128.498 128.574 -0.076 1
1 1302 . 3 1 1 A 107 107 LEU H H 107 9.260 8.457 0.803 1
1 1303 . 3 1 1 A 107 107 LEU CA C 107 52.942 53.450 -0.508 1
1 1304 . 3 1 1 A 107 107 LEU HA H 107 5.110 5.292 -0.182 1
1 1305 . 3 1 1 A 107 107 LEU CB C 107 45.279 43.179 2.100 1
1 1317 . 3 1 1 A 107 107 LEU C C 107 175.494 175.773 -0.279 1
1 1319 . 3 1 1 A 108 108 THR N N 108 114.947 116.091 -1.144 1
1 1320 . 3 1 1 A 108 108 THR H H 108 8.424 8.444 -0.020 1
1 1321 . 3 1 1 A 108 108 THR CA C 108 59.201 60.410 -1.209 1
1 1322 . 3 1 1 A 108 108 THR HA H 108 5.344 5.373 -0.029 1
1 1323 . 3 1 1 A 108 108 THR CB C 108 71.413 70.847 0.566 1
1 1329 . 3 1 1 A 108 108 THR C C 108 172.424 173.074 -0.650 1
1 1330 . 3 1 1 A 109 109 TYR N N 109 114.691 120.292 -5.601 1
1 1331 . 3 1 1 A 109 109 TYR H H 109 8.056 8.408 -0.352 1
1 1332 . 3 1 1 A 109 109 TYR CA C 109 57.133 56.002 1.131 1
1 1333 . 3 1 1 A 109 109 TYR HA H 109 4.769 5.198 -0.429 1
1 1334 . 3 1 1 A 109 109 TYR CB C 109 38.008 40.431 -2.423 1
1 1344 . 3 1 1 A 109 109 TYR C C 109 171.790 171.828 -0.038 1
1 1346 . 3 1 1 A 110 110 ASP N N 110 119.179 121.034 -1.855 1
1 1347 . 3 1 1 A 110 110 ASP H H 110 9.332 9.067 0.265 1
1 1348 . 3 1 1 A 110 110 ASP CA C 110 53.147 53.068 0.079 1
1 1349 . 3 1 1 A 110 110 ASP HA H 110 5.855 5.637 0.218 1
1 1350 . 3 1 1 A 110 110 ASP CB C 110 42.179 43.475 -1.296 1
1 1352 . 3 1 1 A 110 110 ASP C C 110 176.257 174.904 1.353 1
1 1354 . 3 1 1 A 111 111 HIS N N 111 122.092 125.214 -3.122 1
1 1355 . 3 1 1 A 111 111 HIS H H 111 8.993 9.574 -0.581 1
1 1356 . 3 1 1 A 111 111 HIS CA C 111 55.365 55.858 -0.493 1
1 1357 . 3 1 1 A 111 111 HIS HA H 111 4.768 4.902 -0.134 1
1 1358 . 3 1 1 A 111 111 HIS CB C 111 36.414 33.645 2.769 1
1 1364 . 3 1 1 A 111 111 HIS C C 111 175.420 174.490 0.930 1
1 1366 . 3 1 1 A 112 112 PHE N N 112 129.361 126.066 3.295 1
1 1367 . 3 1 1 A 112 112 PHE H H 112 10.128 9.433 0.695 1
1 1368 . 3 1 1 A 112 112 PHE CA C 112 59.353 58.673 0.680 1
1 1369 . 3 1 1 A 112 112 PHE HA H 112 3.972 3.736 0.236 1
1 1370 . 3 1 1 A 112 112 PHE CB C 112 36.136 36.544 -0.408 1
1 1382 . 3 1 1 A 112 112 PHE C C 112 175.288 174.875 0.413 1
1 1384 . 3 1 1 A 113 113 HIS N N 113 109.753 109.123 0.630 1
1 1385 . 3 1 1 A 113 113 HIS H H 113 8.856 8.491 0.365 1
1 1386 . 3 1 1 A 113 113 HIS CA C 113 57.593 56.856 0.737 1
1 1387 . 3 1 1 A 113 113 HIS HA H 113 4.168 4.192 -0.024 1
1 1388 . 3 1 1 A 113 113 HIS CB C 113 27.575 26.982 0.593 1
1 1394 . 3 1 1 A 113 113 HIS C C 113 174.146 173.798 0.348 1
1 1396 . 3 1 1 A 114 114 GLN N N 114 118.510 116.954 1.556 1
1 1397 . 3 1 1 A 114 114 GLN H H 114 7.930 7.684 0.246 1
1 1398 . 3 1 1 A 114 114 GLN CA C 114 54.303 54.610 -0.307 1
1 1399 . 3 1 1 A 114 114 GLN HA H 114 4.674 4.803 -0.129 1
1 1400 . 3 1 1 A 114 114 GLN CB C 114 31.548 32.640 -1.092 1
1 1407 . 3 1 1 A 114 114 GLN C C 114 174.702 175.017 -0.315 1
1 1410 . 3 1 1 A 115 115 SER N N 115 118.183 120.478 -2.295 1
1 1411 . 3 1 1 A 115 115 SER H H 115 8.528 8.897 -0.369 1
1 1412 . 3 1 1 A 115 115 SER CA C 115 57.665 59.407 -1.742 1
1 1413 . 3 1 1 A 115 115 SER HA H 115 5.112 4.731 0.381 1
1 1414 . 3 1 1 A 115 115 SER CB C 115 63.266 63.684 -0.418 1
1 1416 . 3 1 1 A 115 115 SER C C 115 174.157 174.070 0.087 1
1 1418 . 3 1 1 A 116 116 VAL N N 116 130.788 127.147 3.641 1
1 1419 . 3 1 1 A 116 116 VAL H H 116 9.445 9.162 0.283 1
1 1420 . 3 1 1 A 116 116 VAL CA C 116 62.375 61.338 1.037 1
1 1421 . 3 1 1 A 116 116 VAL HA H 116 3.870 4.609 -0.739 1
1 1422 . 3 1 1 A 116 116 VAL CB C 116 32.564 32.497 0.067 1
1 1432 . 3 1 1 A 116 116 VAL C C 116 175.674 174.226 1.448 1
1 1433 . 3 1 1 A 117 117 GLN N N 117 127.278 129.224 -1.946 1
1 1434 . 3 1 1 A 117 117 GLN H H 117 8.612 8.960 -0.348 1
1 1435 . 3 1 1 A 117 117 GLN CA C 117 55.004 54.750 0.254 1
1 1436 . 3 1 1 A 117 117 GLN HA H 117 5.170 5.191 -0.021 1
1 1437 . 3 1 1 A 117 117 GLN CB C 117 31.166 31.122 0.044 1
1 1444 . 3 1 1 A 117 117 GLN C C 117 174.229 174.205 0.024 1
1 1447 . 3 1 1 A 118 118 GLU N N 118 125.633 126.203 -0.570 1
1 1448 . 3 1 1 A 118 118 GLU H H 118 8.960 8.545 0.415 1
1 1449 . 3 1 1 A 118 118 GLU CA C 118 54.799 54.922 -0.123 1
1 1450 . 3 1 1 A 118 118 GLU HA H 118 4.869 5.002 -0.133 1
1 1451 . 3 1 1 A 118 118 GLU CB C 118 33.675 31.933 1.742 1
1 1455 . 3 1 1 A 118 118 GLU C C 118 174.340 175.492 -1.152 1
1 1458 . 3 1 1 A 119 119 ILE N N 119 123.525 125.736 -2.211 1
1 1459 . 3 1 1 A 119 119 ILE H H 119 8.683 8.959 -0.276 1
1 1460 . 3 1 1 A 119 119 ILE CA C 119 60.005 60.451 -0.446 1
1 1461 . 3 1 1 A 119 119 ILE HA H 119 5.157 4.672 0.485 1
1 1462 . 3 1 1 A 119 119 ILE CB C 119 40.761 38.772 1.989 1
1 1474 . 3 1 1 A 119 119 ILE C C 119 175.386 175.131 0.255 1
1 1476 . 3 1 1 A 120 120 PHE N N 120 122.954 124.510 -1.556 1
1 1477 . 3 1 1 A 120 120 PHE H H 120 8.647 8.341 0.306 1
1 1478 . 3 1 1 A 120 120 PHE CA C 120 55.754 55.064 0.690 1
1 1479 . 3 1 1 A 120 120 PHE HA H 120 5.064 5.498 -0.434 1
1 1480 . 3 1 1 A 120 120 PHE CB C 120 39.904 42.175 -2.271 1
1 1492 . 3 1 1 A 120 120 PHE C C 120 172.536 173.060 -0.524 1
1 1494 . 3 1 1 A 121 121 GLU N N 121 120.205 119.197 1.008 1
1 1495 . 3 1 1 A 121 121 GLU H H 121 8.807 8.890 -0.083 1
1 1496 . 3 1 1 A 121 121 GLU CA C 121 54.976 54.776 0.200 1
1 1497 . 3 1 1 A 121 121 GLU HA H 121 4.795 5.046 -0.251 1
1 1498 . 3 1 1 A 121 121 GLU CB C 121 31.537 33.448 -1.911 1
1 1502 . 3 1 1 A 121 121 GLU C C 121 175.979 175.572 0.407 1
1 1505 . 3 1 1 A 122 122 VAL N N 122 124.567 124.688 -0.121 1
1 1506 . 3 1 1 A 122 122 VAL H H 122 8.818 8.792 0.026 1
1 1507 . 3 1 1 A 122 122 VAL CA C 122 62.536 62.784 -0.248 1
1 1508 . 3 1 1 A 122 122 VAL HA H 122 4.300 4.271 0.029 1
1 1509 . 3 1 1 A 122 122 VAL CB C 122 32.136 31.863 0.273 1
1 1519 . 3 1 1 A 122 122 VAL C C 122 175.324 176.948 -1.624 1
1 1520 . 3 1 1 A 123 123 ASN N N 123 125.013 121.087 3.926 1
1 1521 . 3 1 1 A 123 123 ASN H H 123 8.770 8.727 0.043 1
1 1522 . 3 1 1 A 123 123 ASN CA C 123 52.889 52.408 0.481 1
1 1523 . 3 1 1 A 123 123 ASN HA H 123 5.072 5.092 -0.020 1
1 1524 . 3 1 1 A 123 123 ASN CB C 123 40.114 39.156 0.958 1
1 1529 . 3 1 1 A 123 123 ASN C C 123 174.799 175.427 -0.628 1
1 1531 . 3 1 1 A 124 124 ASN N N 124 117.247 117.579 -0.332 1
1 1532 . 3 1 1 A 124 124 ASN H H 124 8.599 8.070 0.529 1
1 1533 . 3 1 1 A 124 124 ASN CA C 124 52.853 52.716 0.137 1
1 1534 . 3 1 1 A 124 124 ASN HA H 124 4.721 4.915 -0.194 1
1 1535 . 3 1 1 A 124 124 ASN CB C 124 36.882 38.881 -1.999 1
1 1540 . 3 1 1 A 124 124 ASN C C 124 174.437 175.401 -0.964 1
1 1542 . 3 1 1 A 125 125 LEU N N 125 119.273 121.643 -2.370 1
1 1543 . 3 1 1 A 125 125 LEU H H 125 8.105 7.362 0.743 1
1 1544 . 3 1 1 A 125 125 LEU CA C 125 53.787 53.651 0.136 1
1 1545 . 3 1 1 A 125 125 LEU HA H 125 4.187 4.490 -0.303 1
1 1546 . 3 1 1 A 125 125 LEU CB C 125 40.398 41.381 -0.983 1
1 1558 . 3 1 1 A 125 125 LEU C C 125 175.528 174.714 0.814 1
1 1560 . 3 1 1 A 126 126 PRO CA C 126 62.439 62.740 -0.301 1
1 1561 . 3 1 1 A 126 126 PRO HA H 126 4.519 4.536 -0.017 1
1 1562 . 3 1 1 A 126 126 PRO CB C 126 31.210 31.991 -0.781 1
1 1568 . 3 1 1 A 126 126 PRO C C 126 179.073 177.630 1.443 1
1 1572 . 3 1 1 A 127 127 VAL N N 127 124.759 124.471 0.288 1
1 1573 . 3 1 1 A 127 127 VAL H H 127 8.794 8.764 0.030 1
1 1574 . 3 1 1 A 127 127 VAL CA C 127 64.360 64.286 0.074 1
1 1575 . 3 1 1 A 127 127 VAL HA H 127 3.216 3.897 -0.681 1
1 1576 . 3 1 1 A 127 127 VAL CB C 127 30.825 31.671 -0.846 1
1 1586 . 3 1 1 A 127 127 VAL C C 127 176.789 177.453 -0.664 1
1 1587 . 3 1 1 A 128 128 GLU N N 128 119.892 122.128 -2.236 1
1 1588 . 3 1 1 A 128 128 GLU H H 128 9.460 8.193 1.267 1
1 1589 . 3 1 1 A 128 128 GLU CA C 128 59.216 59.625 -0.409 1
1 1590 . 3 1 1 A 128 128 GLU HA H 128 3.831 3.667 0.164 1
1 1591 . 3 1 1 A 128 128 GLU CB C 128 29.188 29.085 0.103 1
1 1595 . 3 1 1 A 128 128 GLU C C 128 177.624 179.019 -1.395 1
1 1598 . 3 1 1 A 129 129 SER N N 129 112.727 116.303 -3.576 1
1 1599 . 3 1 1 A 129 129 SER H H 129 8.057 7.860 0.197 1
1 1600 . 3 1 1 A 129 129 SER CA C 129 61.024 62.017 -0.993 1
1 1601 . 3 1 1 A 129 129 SER HA H 129 3.925 4.062 -0.137 1
1 1602 . 3 1 1 A 129 129 SER CB C 129 64.440 62.657 1.783 1
1 1604 . 3 1 1 A 129 129 SER C C 129 173.147 176.853 -3.706 1
1 1606 . 3 1 1 A 130 130 TRP N N 130 117.092 121.092 -4.000 1
1 1607 . 3 1 1 A 130 130 TRP H H 130 7.184 7.859 -0.675 1
1 1608 . 3 1 1 A 130 130 TRP CA C 130 57.027 58.759 -1.732 1
1 1609 . 3 1 1 A 130 130 TRP HA H 130 4.974 4.541 0.433 1
1 1610 . 3 1 1 A 130 130 TRP CB C 130 31.384 29.093 2.291 1
1 1624 . 3 1 1 A 130 130 TRP C C 130 174.759 177.869 -3.110 1
1 1 . 4 1 1 A 6 6 SER CA C 6 58.371 56.892 1.479 1
1 2 . 4 1 1 A 6 6 SER HA H 6 4.533 5.216 -0.683 1
1 3 . 4 1 1 A 6 6 SER CB C 6 63.994 64.039 -0.045 1
1 5 . 4 1 1 A 6 6 SER C C 6 174.472 173.706 0.766 1
1 7 . 4 1 1 A 7 7 GLY N N 7 110.741 111.263 -0.522 1
1 8 . 4 1 1 A 7 7 GLY H H 7 8.209 8.273 -0.064 1
1 9 . 4 1 1 A 7 7 GLY CA C 7 44.501 44.035 0.466 1
1 10 . 4 1 1 A 7 7 GLY HA3 H 7 4.059 4.083 -0.024 1
1 11 . 4 1 1 A 7 7 GLY C C 7 171.084 172.770 -1.686 1
1 12 . 4 1 1 A 7 7 GLY HA2 H 7 4.155 4.082 0.073 1
1 13 . 4 1 1 A 8 8 PRO CA C 8 61.515 62.097 -0.582 1
1 14 . 4 1 1 A 8 8 PRO HA H 8 4.713 4.652 0.061 1
1 15 . 4 1 1 A 8 8 PRO CB C 8 30.760 32.057 -1.297 1
1 24 . 4 1 1 A 9 9 PRO HA H 9 4.724 4.569 0.155 1
1 30 . 4 1 1 A 10 10 PRO CA C 10 62.761 62.490 0.271 1
1 31 . 4 1 1 A 10 10 PRO HA H 10 4.389 4.675 -0.286 1
1 32 . 4 1 1 A 10 10 PRO CB C 10 32.082 33.176 -1.094 1
1 37 . 4 1 1 A 10 10 PRO C C 10 176.236 175.338 0.898 1
1 41 . 4 1 1 A 11 11 ALA N N 11 125.926 121.395 4.531 1
1 42 . 4 1 1 A 11 11 ALA H H 11 8.352 8.209 0.143 1
1 43 . 4 1 1 A 11 11 ALA CA C 11 50.343 49.319 1.024 1
1 44 . 4 1 1 A 11 11 ALA HA H 11 4.583 4.815 -0.232 1
1 45 . 4 1 1 A 11 11 ALA CB C 11 18.255 20.265 -2.010 1
1 49 . 4 1 1 A 11 11 ALA C C 11 175.479 175.172 0.307 1
1 50 . 4 1 1 A 12 12 PRO CA C 12 62.757 62.213 0.544 1
1 51 . 4 1 1 A 12 12 PRO HA H 12 4.386 4.613 -0.227 1
1 52 . 4 1 1 A 12 12 PRO CB C 12 32.104 33.110 -1.006 1
1 57 . 4 1 1 A 12 12 PRO C C 12 176.478 175.487 0.991 1
1 61 . 4 1 1 A 13 13 ILE N N 13 124.607 121.217 3.390 1
1 62 . 4 1 1 A 13 13 ILE H H 13 8.661 8.456 0.205 1
1 63 . 4 1 1 A 13 13 ILE CA C 13 59.081 58.349 0.732 1
1 64 . 4 1 1 A 13 13 ILE HA H 13 4.288 4.505 -0.217 1
1 65 . 4 1 1 A 13 13 ILE CB C 13 39.710 38.408 1.302 1
1 77 . 4 1 1 A 13 13 ILE C C 13 174.727 174.679 0.048 1
1 79 . 4 1 1 A 14 14 PRO CA C 14 63.433 62.537 0.896 1
1 80 . 4 1 1 A 14 14 PRO HA H 14 4.457 4.535 -0.078 1
1 81 . 4 1 1 A 14 14 PRO CB C 14 32.428 32.217 0.211 1
1 86 . 4 1 1 A 14 14 PRO C C 14 175.380 176.533 -1.153 1
1 90 . 4 1 1 A 15 15 ASP N N 15 118.741 120.066 -1.325 1
1 91 . 4 1 1 A 15 15 ASP H H 15 8.042 8.506 -0.464 1
1 92 . 4 1 1 A 15 15 ASP CA C 15 54.213 53.612 0.601 1
1 93 . 4 1 1 A 15 15 ASP HA H 15 5.064 4.884 0.180 1
1 94 . 4 1 1 A 15 15 ASP CB C 15 41.793 41.563 0.230 1
1 96 . 4 1 1 A 15 15 ASP C C 15 176.413 175.633 0.780 1
1 98 . 4 1 1 A 16 16 LEU N N 16 121.451 121.753 -0.302 1
1 99 . 4 1 1 A 16 16 LEU H H 16 9.016 8.687 0.329 1
1 100 . 4 1 1 A 16 16 LEU CA C 16 53.914 54.403 -0.489 1
1 101 . 4 1 1 A 16 16 LEU HA H 16 4.847 4.973 -0.126 1
1 102 . 4 1 1 A 16 16 LEU CB C 16 48.283 45.976 2.307 1
1 114 . 4 1 1 A 16 16 LEU C C 16 174.915 174.370 0.545 1
1 116 . 4 1 1 A 17 17 LYS N N 17 130.346 127.457 2.889 1
1 117 . 4 1 1 A 17 17 LYS H H 17 8.937 8.900 0.037 1
1 118 . 4 1 1 A 17 17 LYS CA C 17 57.027 57.119 -0.092 1
1 119 . 4 1 1 A 17 17 LYS HA H 17 4.821 4.420 0.401 1
1 120 . 4 1 1 A 17 17 LYS CB C 17 31.991 33.024 -1.033 1
1 128 . 4 1 1 A 17 17 LYS C C 17 177.744 176.357 1.387 1
1 133 . 4 1 1 A 18 18 VAL N N 18 116.605 121.633 -5.028 1
1 134 . 4 1 1 A 18 18 VAL H H 18 8.228 8.593 -0.365 1
1 135 . 4 1 1 A 18 18 VAL CA C 18 60.586 62.245 -1.659 1
1 136 . 4 1 1 A 18 18 VAL HA H 18 4.807 4.470 0.337 1
1 137 . 4 1 1 A 18 18 VAL CB C 18 33.601 33.860 -0.259 1
1 147 . 4 1 1 A 18 18 VAL C C 18 174.118 175.463 -1.345 1
1 148 . 4 1 1 A 19 19 PHE N N 19 120.586 121.291 -0.705 1
1 149 . 4 1 1 A 19 19 PHE H H 19 7.429 7.215 0.214 1
1 150 . 4 1 1 A 19 19 PHE CA C 19 57.947 56.777 1.170 1
1 151 . 4 1 1 A 19 19 PHE HA H 19 4.544 4.590 -0.046 1
1 152 . 4 1 1 A 19 19 PHE CB C 19 43.455 42.295 1.160 1
1 162 . 4 1 1 A 19 19 PHE C C 19 172.947 173.169 -0.222 1
1 164 . 4 1 1 A 20 20 GLU N N 20 126.790 126.859 -0.069 1
1 165 . 4 1 1 A 20 20 GLU H H 20 7.620 8.411 -0.791 1
1 166 . 4 1 1 A 20 20 GLU CA C 20 55.117 55.289 -0.172 1
1 167 . 4 1 1 A 20 20 GLU HA H 20 5.059 4.881 0.178 1
1 168 . 4 1 1 A 20 20 GLU CB C 20 32.091 32.264 -0.173 1
1 172 . 4 1 1 A 20 20 GLU C C 20 174.073 174.282 -0.209 1
1 175 . 4 1 1 A 21 21 ARG N N 21 125.153 127.838 -2.685 1
1 176 . 4 1 1 A 21 21 ARG H H 21 8.806 9.066 -0.260 1
1 177 . 4 1 1 A 21 21 ARG CA C 21 56.532 54.229 2.303 1
1 178 . 4 1 1 A 21 21 ARG HA H 21 4.234 4.948 -0.714 1
1 179 . 4 1 1 A 21 21 ARG CB C 21 33.707 33.982 -0.275 1
1 185 . 4 1 1 A 21 21 ARG C C 21 176.293 175.026 1.267 1
1 189 . 4 1 1 A 22 22 GLU N N 22 132.286 124.830 7.456 1
1 190 . 4 1 1 A 22 22 GLU H H 22 9.887 8.742 1.145 1
1 191 . 4 1 1 A 22 22 GLU CA C 22 57.271 57.773 -0.502 1
1 192 . 4 1 1 A 22 22 GLU HA H 22 3.968 4.200 -0.232 1
1 193 . 4 1 1 A 22 22 GLU CB C 22 28.595 29.140 -0.545 1
1 197 . 4 1 1 A 22 22 GLU C C 22 175.219 177.162 -1.943 1
1 200 . 4 1 1 A 23 23 GLY N N 23 103.445 113.660 -10.215 1
1 201 . 4 1 1 A 23 23 GLY H H 23 8.570 8.913 -0.343 1
1 202 . 4 1 1 A 23 23 GLY CA C 23 45.698 45.252 0.446 1
1 203 . 4 1 1 A 23 23 GLY HA3 H 23 4.242 4.232 0.010 1
1 204 . 4 1 1 A 23 23 GLY C C 23 173.517 173.911 -0.394 1
1 205 . 4 1 1 A 23 23 GLY HA2 H 23 3.658 4.212 -0.554 1
1 206 . 4 1 1 A 24 24 VAL N N 24 124.489 121.008 3.481 1
1 207 . 4 1 1 A 24 24 VAL H H 24 8.016 8.513 -0.497 1
1 208 . 4 1 1 A 24 24 VAL CA C 24 61.341 61.383 -0.042 1
1 209 . 4 1 1 A 24 24 VAL HA H 24 4.780 4.707 0.073 1
1 210 . 4 1 1 A 24 24 VAL CB C 24 32.051 34.407 -2.356 1
1 220 . 4 1 1 A 24 24 VAL C C 24 175.459 174.888 0.571 1
1 221 . 4 1 1 A 25 25 GLN N N 25 123.296 125.245 -1.949 1
1 222 . 4 1 1 A 25 25 GLN H H 25 8.446 8.813 -0.367 1
1 223 . 4 1 1 A 25 25 GLN CA C 25 53.879 54.456 -0.577 1
1 224 . 4 1 1 A 25 25 GLN HA H 25 5.378 5.298 0.080 1
1 225 . 4 1 1 A 25 25 GLN CB C 25 33.065 32.758 0.307 1
1 232 . 4 1 1 A 25 25 GLN C C 25 174.348 174.569 -0.221 1
1 235 . 4 1 1 A 26 26 LEU N N 26 120.847 124.175 -3.328 1
1 236 . 4 1 1 A 26 26 LEU H H 26 8.579 9.400 -0.821 1
1 237 . 4 1 1 A 26 26 LEU CA C 26 53.914 54.357 -0.443 1
1 238 . 4 1 1 A 26 26 LEU HA H 26 5.400 5.266 0.134 1
1 239 . 4 1 1 A 26 26 LEU CB C 26 47.336 46.155 1.181 1
1 251 . 4 1 1 A 26 26 LEU C C 26 174.842 174.373 0.469 1
1 253 . 4 1 1 A 27 27 ASN N N 27 124.346 124.491 -0.145 1
1 254 . 4 1 1 A 27 27 ASN H H 27 8.738 9.011 -0.273 1
1 255 . 4 1 1 A 27 27 ASN CA C 27 52.063 51.730 0.333 1
1 256 . 4 1 1 A 27 27 ASN HA H 27 5.542 5.398 0.144 1
1 257 . 4 1 1 A 27 27 ASN CB C 27 43.866 42.193 1.673 1
1 262 . 4 1 1 A 27 27 ASN C C 27 173.520 173.503 0.017 1
1 264 . 4 1 1 A 28 28 LEU N N 28 124.198 125.627 -1.429 1
1 265 . 4 1 1 A 28 28 LEU H H 28 9.406 8.997 0.409 1
1 266 . 4 1 1 A 28 28 LEU CA C 28 53.773 53.242 0.531 1
1 267 . 4 1 1 A 28 28 LEU HA H 28 4.995 5.189 -0.194 1
1 268 . 4 1 1 A 28 28 LEU CB C 28 44.307 45.526 -1.219 1
1 280 . 4 1 1 A 28 28 LEU C C 28 174.670 174.245 0.425 1
1 282 . 4 1 1 A 29 29 SER N N 29 115.017 121.755 -6.738 1
1 283 . 4 1 1 A 29 29 SER H H 29 8.314 8.755 -0.441 1
1 284 . 4 1 1 A 29 29 SER CA C 29 56.340 56.373 -0.033 1
1 285 . 4 1 1 A 29 29 SER HA H 29 4.807 5.190 -0.383 1
1 286 . 4 1 1 A 29 29 SER CB C 29 65.926 65.031 0.895 1
1 288 . 4 1 1 A 29 29 SER C C 29 172.842 172.394 0.448 1
1 290 . 4 1 1 A 30 30 PHE N N 30 119.941 125.656 -5.715 1
1 291 . 4 1 1 A 30 30 PHE H H 30 9.366 9.202 0.164 1
1 292 . 4 1 1 A 30 30 PHE CA C 30 57.047 56.631 0.416 1
1 293 . 4 1 1 A 30 30 PHE HA H 30 5.374 5.212 0.162 1
1 294 . 4 1 1 A 30 30 PHE CB C 30 44.307 42.113 2.194 1
1 306 . 4 1 1 A 30 30 PHE C C 30 175.242 175.092 0.150 1
1 308 . 4 1 1 A 31 31 ILE N N 31 122.161 121.043 1.118 1
1 309 . 4 1 1 A 31 31 ILE H H 31 8.950 8.727 0.223 1
1 310 . 4 1 1 A 31 31 ILE CA C 31 60.680 59.980 0.700 1
1 311 . 4 1 1 A 31 31 ILE HA H 31 4.338 4.906 -0.568 1
1 312 . 4 1 1 A 31 31 ILE CB C 31 42.354 41.992 0.362 1
1 324 . 4 1 1 A 31 31 ILE C C 31 174.368 175.357 -0.989 1
1 326 . 4 1 1 A 32 32 ARG N N 32 128.976 126.366 2.610 1
1 327 . 4 1 1 A 32 32 ARG H H 32 8.773 8.843 -0.070 1
1 328 . 4 1 1 A 32 32 ARG CA C 32 51.444 52.804 -1.360 1
1 329 . 4 1 1 A 32 32 ARG HA H 32 5.263 4.879 0.384 1
1 330 . 4 1 1 A 32 32 ARG CB C 32 29.600 31.597 -1.997 1
1 338 . 4 1 1 A 32 32 ARG C C 32 173.585 173.674 -0.089 1
1 342 . 4 1 1 A 33 33 PRO CA C 33 60.759 61.836 -1.077 1
1 343 . 4 1 1 A 33 33 PRO HA H 33 4.581 4.700 -0.119 1
1 344 . 4 1 1 A 33 33 PRO CB C 33 32.219 32.486 -0.267 1
1 353 . 4 1 1 A 34 34 PRO CA C 34 64.464 65.216 -0.752 1
1 354 . 4 1 1 A 34 34 PRO HA H 34 4.236 4.222 0.014 1
1 355 . 4 1 1 A 34 34 PRO CB C 34 31.997 32.043 -0.046 1
1 361 . 4 1 1 A 34 34 PRO C C 34 178.240 178.557 -0.317 1
1 365 . 4 1 1 A 35 35 GLU N N 35 115.025 116.055 -1.030 1
1 366 . 4 1 1 A 35 35 GLU H H 35 9.287 8.870 0.417 1
1 367 . 4 1 1 A 35 35 GLU CA C 35 57.753 58.882 -1.129 1
1 368 . 4 1 1 A 35 35 GLU HA H 35 4.205 4.132 0.073 1
1 369 . 4 1 1 A 35 35 GLU CB C 35 28.595 28.909 -0.314 1
1 373 . 4 1 1 A 35 35 GLU C C 35 176.471 176.913 -0.442 1
1 376 . 4 1 1 A 36 36 ASN N N 36 114.302 118.103 -3.801 1
1 377 . 4 1 1 A 36 36 ASN H H 36 7.257 7.884 -0.627 1
1 378 . 4 1 1 A 36 36 ASN CA C 36 50.593 50.267 0.326 1
1 379 . 4 1 1 A 36 36 ASN HA H 36 5.024 5.196 -0.172 1
1 380 . 4 1 1 A 36 36 ASN CB C 36 39.094 39.146 -0.052 1
1 385 . 4 1 1 A 36 36 ASN C C 36 172.128 173.474 -1.346 1
1 387 . 4 1 1 A 37 37 PRO CA C 37 64.287 64.745 -0.458 1
1 388 . 4 1 1 A 37 37 PRO HA H 37 4.600 4.363 0.237 1
1 389 . 4 1 1 A 37 37 PRO CB C 37 32.235 31.962 0.273 1
1 394 . 4 1 1 A 37 37 PRO C C 37 176.707 177.714 -1.007 1
1 398 . 4 1 1 A 38 38 ALA N N 38 117.780 117.779 0.001 1
1 399 . 4 1 1 A 38 38 ALA H H 38 7.596 8.037 -0.441 1
1 400 . 4 1 1 A 38 38 ALA CA C 38 52.674 53.104 -0.430 1
1 401 . 4 1 1 A 38 38 ALA HA H 38 4.262 4.376 -0.114 1
1 402 . 4 1 1 A 38 38 ALA CB C 38 19.201 19.329 -0.128 1
1 406 . 4 1 1 A 38 38 ALA C C 38 176.546 177.029 -0.483 1
1 407 . 4 1 1 A 39 39 LEU N N 39 122.870 121.204 1.666 1
1 408 . 4 1 1 A 39 39 LEU H H 39 7.963 7.155 0.808 1
1 409 . 4 1 1 A 39 39 LEU CA C 39 54.548 53.778 0.770 1
1 410 . 4 1 1 A 39 39 LEU HA H 39 4.953 4.856 0.097 1
1 411 . 4 1 1 A 39 39 LEU CB C 39 44.768 44.185 0.583 1
1 423 . 4 1 1 A 39 39 LEU C C 39 173.627 175.076 -1.449 1
1 425 . 4 1 1 A 40 40 LEU N N 40 125.985 129.695 -3.710 1
1 426 . 4 1 1 A 40 40 LEU H H 40 9.247 9.269 -0.022 1
1 427 . 4 1 1 A 40 40 LEU CA C 40 53.914 53.582 0.332 1
1 428 . 4 1 1 A 40 40 LEU HA H 40 5.018 5.151 -0.133 1
1 429 . 4 1 1 A 40 40 LEU CB C 40 45.014 44.508 0.506 1
1 441 . 4 1 1 A 40 40 LEU C C 40 174.170 174.865 -0.695 1
1 443 . 4 1 1 A 41 41 LEU N N 41 125.906 128.802 -2.896 1
1 444 . 4 1 1 A 41 41 LEU H H 41 9.224 8.958 0.266 1
1 445 . 4 1 1 A 41 41 LEU CA C 41 53.190 54.066 -0.876 1
1 446 . 4 1 1 A 41 41 LEU HA H 41 5.222 5.115 0.107 1
1 447 . 4 1 1 A 41 41 LEU CB C 41 42.034 41.428 0.606 1
1 459 . 4 1 1 A 41 41 LEU C C 41 177.109 176.002 1.107 1
1 461 . 4 1 1 A 42 42 ILE N N 42 124.731 125.774 -1.043 1
1 462 . 4 1 1 A 42 42 ILE H H 42 9.087 8.981 0.106 1
1 463 . 4 1 1 A 42 42 ILE CA C 42 59.794 60.091 -0.297 1
1 464 . 4 1 1 A 42 42 ILE HA H 42 5.055 4.991 0.064 1
1 465 . 4 1 1 A 42 42 ILE CB C 42 41.019 40.007 1.012 1
1 477 . 4 1 1 A 42 42 ILE C C 42 175.074 175.173 -0.099 1
1 479 . 4 1 1 A 43 43 THR N N 43 123.315 122.979 0.336 1
1 480 . 4 1 1 A 43 43 THR H H 43 8.589 8.928 -0.339 1
1 481 . 4 1 1 A 43 43 THR CA C 43 61.677 61.574 0.103 1
1 482 . 4 1 1 A 43 43 THR HA H 43 5.023 5.417 -0.394 1
1 483 . 4 1 1 A 43 43 THR CB C 43 69.838 72.115 -2.277 1
1 489 . 4 1 1 A 43 43 THR C C 43 174.993 173.683 1.310 1
1 490 . 4 1 1 A 44 44 ILE N N 44 126.677 125.270 1.407 1
1 491 . 4 1 1 A 44 44 ILE H H 44 9.329 9.028 0.301 1
1 492 . 4 1 1 A 44 44 ILE CA C 44 59.794 59.587 0.207 1
1 493 . 4 1 1 A 44 44 ILE HA H 44 4.953 5.038 -0.085 1
1 494 . 4 1 1 A 44 44 ILE CB C 44 38.754 40.960 -2.206 1
1 506 . 4 1 1 A 44 44 ILE C C 44 174.670 175.443 -0.773 1
1 508 . 4 1 1 A 45 45 THR N N 45 120.442 120.967 -0.525 1
1 509 . 4 1 1 A 45 45 THR H H 45 8.740 8.401 0.339 1
1 510 . 4 1 1 A 45 45 THR CA C 45 61.579 61.553 0.026 1
1 511 . 4 1 1 A 45 45 THR HA H 45 5.266 5.067 0.199 1
1 512 . 4 1 1 A 45 45 THR CB C 45 70.338 71.250 -0.912 1
1 518 . 4 1 1 A 45 45 THR C C 45 174.494 173.152 1.342 1
1 519 . 4 1 1 A 46 46 ALA N N 46 134.267 130.245 4.022 1
1 520 . 4 1 1 A 46 46 ALA H H 46 9.489 8.551 0.938 1
1 521 . 4 1 1 A 46 46 ALA CA C 46 49.846 50.133 -0.287 1
1 522 . 4 1 1 A 46 46 ALA HA H 46 5.554 5.103 0.451 1
1 523 . 4 1 1 A 46 46 ALA CB C 46 20.414 20.673 -0.259 1
1 527 . 4 1 1 A 46 46 ALA C C 46 174.819 176.523 -1.704 1
1 528 . 4 1 1 A 47 47 THR N N 47 111.611 114.781 -3.170 1
1 529 . 4 1 1 A 47 47 THR H H 47 8.431 8.435 -0.004 1
1 530 . 4 1 1 A 47 47 THR CA C 47 59.331 59.949 -0.618 1
1 531 . 4 1 1 A 47 47 THR HA H 47 4.409 5.166 -0.757 1
1 532 . 4 1 1 A 47 47 THR CB C 47 71.655 70.926 0.729 1
1 538 . 4 1 1 A 47 47 THR C C 47 173.104 172.723 0.381 1
1 539 . 4 1 1 A 48 48 ASN N N 48 117.087 124.225 -7.138 1
1 540 . 4 1 1 A 48 48 ASN H H 48 8.647 8.580 0.067 1
1 541 . 4 1 1 A 48 48 ASN CA C 48 51.019 51.547 -0.528 1
1 542 . 4 1 1 A 48 48 ASN HA H 48 5.096 5.508 -0.412 1
1 543 . 4 1 1 A 48 48 ASN CB C 48 39.880 41.606 -1.726 1
1 548 . 4 1 1 A 48 48 ASN C C 48 173.769 174.332 -0.563 1
1 550 . 4 1 1 A 49 49 PHE N N 49 123.238 122.362 0.876 1
1 551 . 4 1 1 A 49 49 PHE H H 49 9.105 8.829 0.276 1
1 552 . 4 1 1 A 49 49 PHE CA C 49 57.422 58.814 -1.392 1
1 553 . 4 1 1 A 49 49 PHE HA H 49 4.601 4.697 -0.096 1
1 554 . 4 1 1 A 49 49 PHE CB C 49 38.770 40.876 -2.106 1
1 566 . 4 1 1 A 49 49 PHE C C 49 176.238 175.502 0.736 1
1 568 . 4 1 1 A 50 50 SER N N 50 118.477 113.869 4.608 1
1 569 . 4 1 1 A 50 50 SER H H 50 8.344 7.345 0.999 1
1 570 . 4 1 1 A 50 50 SER CA C 50 58.654 58.191 0.463 1
1 571 . 4 1 1 A 50 50 SER HA H 50 4.933 4.511 0.422 1
1 572 . 4 1 1 A 50 50 SER CB C 50 66.611 65.176 1.435 1
1 573 . 4 1 1 A 50 50 SER C C 50 173.089 175.729 -2.640 1
1 574 . 4 1 1 A 51 51 GLU N N 51 114.036 118.986 -4.950 1
1 575 . 4 1 1 A 51 51 GLU H H 51 9.051 9.078 -0.027 1
1 576 . 4 1 1 A 51 51 GLU CA C 51 56.701 58.070 -1.369 1
1 577 . 4 1 1 A 51 51 GLU HA H 51 4.358 4.228 0.130 1
1 578 . 4 1 1 A 51 51 GLU CB C 51 30.323 29.773 0.550 1
1 582 . 4 1 1 A 51 51 GLU C C 51 175.603 176.727 -1.124 1
1 585 . 4 1 1 A 52 52 GLY N N 52 109.625 108.182 1.443 1
1 586 . 4 1 1 A 52 52 GLY H H 52 8.525 7.603 0.922 1
1 587 . 4 1 1 A 52 52 GLY CA C 52 44.267 44.656 -0.389 1
1 588 . 4 1 1 A 52 52 GLY HA3 H 52 4.505 3.649 0.856 1
1 589 . 4 1 1 A 52 52 GLY C C 52 173.168 172.551 0.617 1
1 590 . 4 1 1 A 52 52 GLY HA2 H 52 2.842 2.653 0.189 1
1 591 . 4 1 1 A 53 53 ASP N N 53 125.175 123.914 1.261 1
1 592 . 4 1 1 A 53 53 ASP H H 53 9.001 8.369 0.632 1
1 593 . 4 1 1 A 53 53 ASP CA C 53 55.793 54.470 1.323 1
1 594 . 4 1 1 A 53 53 ASP HA H 53 4.082 4.673 -0.591 1
1 595 . 4 1 1 A 53 53 ASP CB C 53 40.522 41.941 -1.419 1
1 597 . 4 1 1 A 53 53 ASP C C 53 176.506 175.476 1.030 1
1 599 . 4 1 1 A 54 54 VAL N N 54 125.250 120.608 4.642 1
1 600 . 4 1 1 A 54 54 VAL H H 54 7.873 7.776 0.097 1
1 601 . 4 1 1 A 54 54 VAL CA C 54 61.350 60.877 0.473 1
1 602 . 4 1 1 A 54 54 VAL HA H 54 4.759 4.879 -0.120 1
1 603 . 4 1 1 A 54 54 VAL CB C 54 32.808 34.466 -1.658 1
1 613 . 4 1 1 A 54 54 VAL C C 54 176.126 174.625 1.501 1
1 614 . 4 1 1 A 55 55 THR N N 55 116.888 117.029 -0.141 1
1 615 . 4 1 1 A 55 55 THR H H 55 9.004 8.496 0.508 1
1 616 . 4 1 1 A 55 55 THR CA C 55 59.194 59.513 -0.319 1
1 617 . 4 1 1 A 55 55 THR HA H 55 4.920 4.860 0.060 1
1 618 . 4 1 1 A 55 55 THR CB C 55 72.508 72.080 0.428 1
1 624 . 4 1 1 A 55 55 THR C C 55 173.166 173.847 -0.681 1
1 625 . 4 1 1 A 56 56 HIS N N 56 115.667 120.351 -4.684 1
1 626 . 4 1 1 A 56 56 HIS H H 56 9.193 8.833 0.360 1
1 627 . 4 1 1 A 56 56 HIS CA C 56 56.363 56.572 -0.209 1
1 628 . 4 1 1 A 56 56 HIS HA H 56 4.153 4.236 -0.083 1
1 629 . 4 1 1 A 56 56 HIS CB C 56 26.923 28.023 -1.100 1
1 635 . 4 1 1 A 56 56 HIS C C 56 173.611 174.953 -1.342 1
1 637 . 4 1 1 A 57 57 PHE N N 57 118.625 119.033 -0.408 1
1 638 . 4 1 1 A 57 57 PHE H H 57 8.932 8.134 0.798 1
1 639 . 4 1 1 A 57 57 PHE CA C 57 59.503 57.318 2.185 1
1 640 . 4 1 1 A 57 57 PHE HA H 57 4.819 4.626 0.193 1
1 641 . 4 1 1 A 57 57 PHE CB C 57 39.871 39.462 0.409 1
1 653 . 4 1 1 A 57 57 PHE C C 57 176.025 174.570 1.455 1
1 655 . 4 1 1 A 58 58 ILE N N 58 131.418 127.696 3.722 1
1 656 . 4 1 1 A 58 58 ILE H H 58 8.989 8.844 0.145 1
1 657 . 4 1 1 A 58 58 ILE CA C 58 61.138 59.966 1.172 1
1 658 . 4 1 1 A 58 58 ILE HA H 58 4.001 4.443 -0.442 1
1 659 . 4 1 1 A 58 58 ILE CB C 58 41.349 39.894 1.455 1
1 671 . 4 1 1 A 58 58 ILE C C 58 173.046 173.895 -0.849 1
1 673 . 4 1 1 A 59 59 CYS N N 59 126.838 128.163 -1.325 1
1 674 . 4 1 1 A 59 59 CYS H H 59 8.844 8.756 0.088 1
1 675 . 4 1 1 A 59 59 CYS CA C 59 56.902 56.686 0.216 1
1 676 . 4 1 1 A 59 59 CYS HA H 59 5.044 5.020 0.024 1
1 677 . 4 1 1 A 59 59 CYS CB C 59 28.363 29.807 -1.444 1
1 679 . 4 1 1 A 59 59 CYS C C 59 173.375 173.581 -0.206 1
1 681 . 4 1 1 A 60 60 GLN N N 60 126.903 126.200 0.703 1
1 682 . 4 1 1 A 60 60 GLN H H 60 8.929 8.527 0.402 1
1 683 . 4 1 1 A 60 60 GLN CA C 60 54.162 54.524 -0.362 1
1 684 . 4 1 1 A 60 60 GLN HA H 60 4.656 5.001 -0.345 1
1 685 . 4 1 1 A 60 60 GLN CB C 60 31.991 31.735 0.256 1
1 691 . 4 1 1 A 60 60 GLN C C 60 174.000 174.410 -0.410 1
1 694 . 4 1 1 A 61 61 ALA N N 61 124.049 120.852 3.197 1
1 695 . 4 1 1 A 61 61 ALA H H 61 8.178 8.564 -0.386 1
1 696 . 4 1 1 A 61 61 ALA CA C 61 50.160 51.039 -0.879 1
1 697 . 4 1 1 A 61 61 ALA HA H 61 5.192 5.314 -0.122 1
1 698 . 4 1 1 A 61 61 ALA CB C 61 23.419 23.627 -0.208 1
1 702 . 4 1 1 A 61 61 ALA C C 61 175.076 175.303 -0.227 1
1 703 . 4 1 1 A 62 62 ALA N N 62 121.362 121.177 0.185 1
1 704 . 4 1 1 A 62 62 ALA H H 62 8.488 8.537 -0.049 1
1 705 . 4 1 1 A 62 62 ALA CA C 62 51.309 50.751 0.558 1
1 706 . 4 1 1 A 62 62 ALA HA H 62 4.667 5.257 -0.590 1
1 707 . 4 1 1 A 62 62 ALA CB C 62 22.617 22.894 -0.277 1
1 711 . 4 1 1 A 62 62 ALA C C 62 176.013 175.863 0.150 1
1 712 . 4 1 1 A 63 63 VAL N N 63 113.572 115.097 -1.525 1
1 713 . 4 1 1 A 63 63 VAL H H 63 8.271 8.645 -0.374 1
1 714 . 4 1 1 A 63 63 VAL CA C 63 57.691 57.815 -0.124 1
1 715 . 4 1 1 A 63 63 VAL HA H 63 5.045 4.914 0.131 1
1 716 . 4 1 1 A 63 63 VAL CB C 63 32.968 34.578 -1.610 1
1 726 . 4 1 1 A 63 63 VAL C C 63 173.707 173.193 0.514 1
1 727 . 4 1 1 A 64 64 PRO CA C 64 62.757 62.524 0.233 1
1 728 . 4 1 1 A 64 64 PRO HA H 64 4.459 4.637 -0.178 1
1 729 . 4 1 1 A 64 64 PRO CB C 64 32.728 32.678 0.050 1
1 735 . 4 1 1 A 64 64 PRO C C 64 176.348 178.044 -1.696 1
1 739 . 4 1 1 A 65 65 LYS N N 65 118.624 123.084 -4.460 1
1 740 . 4 1 1 A 65 65 LYS H H 65 8.323 8.592 -0.269 1
1 741 . 4 1 1 A 65 65 LYS CA C 65 58.516 59.146 -0.630 1
1 742 . 4 1 1 A 65 65 LYS HA H 65 4.183 4.023 0.160 1
1 743 . 4 1 1 A 65 65 LYS CB C 65 32.320 31.810 0.510 1
1 751 . 4 1 1 A 65 65 LYS C C 65 176.595 178.260 -1.665 1
1 756 . 4 1 1 A 66 66 SER N N 66 111.762 114.037 -2.275 1
1 757 . 4 1 1 A 66 66 SER H H 66 7.779 8.203 -0.424 1
1 758 . 4 1 1 A 66 66 SER CA C 66 59.298 61.511 -2.213 1
1 759 . 4 1 1 A 66 66 SER HA H 66 4.234 4.190 0.044 1
1 760 . 4 1 1 A 66 66 SER CB C 66 62.984 62.272 0.712 1
1 762 . 4 1 1 A 66 66 SER C C 66 174.137 174.955 -0.818 1
1 764 . 4 1 1 A 67 67 LEU N N 67 124.569 120.455 4.114 1
1 765 . 4 1 1 A 67 67 LEU H H 67 8.109 7.910 0.199 1
1 766 . 4 1 1 A 67 67 LEU CA C 67 54.940 53.017 1.923 1
1 767 . 4 1 1 A 67 67 LEU HA H 67 4.836 5.032 -0.196 1
1 768 . 4 1 1 A 67 67 LEU CB C 67 43.882 44.743 -0.861 1
1 780 . 4 1 1 A 67 67 LEU C C 67 174.925 175.513 -0.588 1
1 782 . 4 1 1 A 68 68 GLN N N 68 117.163 120.644 -3.481 1
1 783 . 4 1 1 A 68 68 GLN H H 68 8.063 8.891 -0.828 1
1 784 . 4 1 1 A 68 68 GLN CA C 68 54.829 54.170 0.659 1
1 785 . 4 1 1 A 68 68 GLN HA H 68 4.674 5.215 -0.541 1
1 786 . 4 1 1 A 68 68 GLN CB C 68 31.579 32.492 -0.913 1
1 793 . 4 1 1 A 68 68 GLN C C 68 174.077 174.050 0.027 1
1 796 . 4 1 1 A 69 69 LEU N N 69 126.046 123.688 2.358 1
1 797 . 4 1 1 A 69 69 LEU H H 69 8.676 8.854 -0.178 1
1 798 . 4 1 1 A 69 69 LEU CA C 69 54.073 53.872 0.201 1
1 799 . 4 1 1 A 69 69 LEU HA H 69 5.231 5.155 0.076 1
1 800 . 4 1 1 A 69 69 LEU CB C 69 45.602 46.498 -0.896 1
1 811 . 4 1 1 A 69 69 LEU C C 69 175.497 174.659 0.838 1
1 813 . 4 1 1 A 70 70 GLN N N 70 126.758 124.243 2.515 1
1 814 . 4 1 1 A 70 70 GLN H H 70 9.410 8.737 0.673 1
1 815 . 4 1 1 A 70 70 GLN CA C 70 54.657 55.296 -0.639 1
1 816 . 4 1 1 A 70 70 GLN HA H 70 4.746 4.777 -0.031 1
1 817 . 4 1 1 A 70 70 GLN CB C 70 31.537 32.081 -0.544 1
1 824 . 4 1 1 A 70 70 GLN C C 70 174.686 173.781 0.905 1
1 827 . 4 1 1 A 71 71 LEU N N 71 126.413 128.385 -1.972 1
1 828 . 4 1 1 A 71 71 LEU H H 71 8.936 8.761 0.175 1
1 829 . 4 1 1 A 71 71 LEU CA C 71 55.294 54.295 0.999 1
1 830 . 4 1 1 A 71 71 LEU HA H 71 4.752 4.640 0.112 1
1 831 . 4 1 1 A 71 71 LEU CB C 71 43.898 43.115 0.783 1
1 843 . 4 1 1 A 71 71 LEU C C 71 176.498 175.682 0.816 1
1 845 . 4 1 1 A 72 72 GLN N N 72 121.553 127.564 -6.011 1
1 846 . 4 1 1 A 72 72 GLN H H 72 8.100 8.100 0.000 1
1 847 . 4 1 1 A 72 72 GLN CA C 72 54.209 55.173 -0.964 1
1 848 . 4 1 1 A 72 72 GLN HA H 72 4.589 4.340 0.249 1
1 849 . 4 1 1 A 72 72 GLN CB C 72 31.142 29.851 1.291 1
1 856 . 4 1 1 A 72 72 GLN C C 72 174.254 175.769 -1.515 1
1 859 . 4 1 1 A 73 73 ALA N N 73 124.262 126.797 -2.535 1
1 860 . 4 1 1 A 73 73 ALA H H 73 8.452 8.364 0.088 1
1 861 . 4 1 1 A 73 73 ALA CA C 73 51.211 50.632 0.579 1
1 862 . 4 1 1 A 73 73 ALA HA H 73 4.500 4.209 0.291 1
1 863 . 4 1 1 A 73 73 ALA CB C 73 17.185 19.117 -1.932 1
1 867 . 4 1 1 A 73 73 ALA C C 73 176.548 175.789 0.759 1
1 868 . 4 1 1 A 74 74 PRO CA C 74 62.160 62.415 -0.255 1
1 869 . 4 1 1 A 74 74 PRO HA H 74 4.848 4.569 0.279 1
1 870 . 4 1 1 A 74 74 PRO CB C 74 32.897 33.320 -0.423 1
1 874 . 4 1 1 A 74 74 PRO C C 74 177.266 176.322 0.944 1
1 878 . 4 1 1 A 75 75 SER N N 75 115.398 112.416 2.982 1
1 879 . 4 1 1 A 75 75 SER H H 75 9.293 8.430 0.863 1
1 880 . 4 1 1 A 75 75 SER CA C 75 61.024 59.285 1.739 1
1 881 . 4 1 1 A 75 75 SER HA H 75 4.154 4.440 -0.286 1
1 882 . 4 1 1 A 75 75 SER CB C 75 62.867 63.726 -0.859 1
1 884 . 4 1 1 A 75 75 SER C C 75 174.460 175.235 -0.775 1
1 886 . 4 1 1 A 76 76 GLY N N 76 106.233 107.696 -1.463 1
1 887 . 4 1 1 A 76 76 GLY H H 76 7.208 7.232 -0.024 1
1 888 . 4 1 1 A 76 76 GLY CA C 76 44.930 45.974 -1.044 1
1 889 . 4 1 1 A 76 76 GLY HA3 H 76 4.306 4.000 0.306 1
1 890 . 4 1 1 A 76 76 GLY C C 76 171.327 172.757 -1.430 1
1 891 . 4 1 1 A 76 76 GLY HA2 H 76 4.095 3.992 0.103 1
1 892 . 4 1 1 A 77 77 ASN CA C 77 53.060 53.117 -0.057 1
1 893 . 4 1 1 A 77 77 ASN HA H 77 5.001 4.922 0.079 1
1 894 . 4 1 1 A 77 77 ASN CB C 77 40.650 38.725 1.925 1
1 899 . 4 1 1 A 77 77 ASN C C 77 173.427 173.509 -0.082 1
1 901 . 4 1 1 A 78 78 THR N N 78 114.705 114.522 0.183 1
1 902 . 4 1 1 A 78 78 THR H H 78 7.579 7.540 0.039 1
1 903 . 4 1 1 A 78 78 THR CA C 78 59.766 61.113 -1.347 1
1 904 . 4 1 1 A 78 78 THR HA H 78 5.174 5.015 0.159 1
1 905 . 4 1 1 A 78 78 THR CB C 78 71.855 72.317 -0.462 1
1 911 . 4 1 1 A 78 78 THR C C 78 173.138 173.163 -0.025 1
1 912 . 4 1 1 A 79 79 VAL N N 79 123.606 125.772 -2.166 1
1 913 . 4 1 1 A 79 79 VAL H H 79 8.696 9.144 -0.448 1
1 914 . 4 1 1 A 79 79 VAL CA C 79 58.982 58.773 0.209 1
1 915 . 4 1 1 A 79 79 VAL HA H 79 4.495 4.430 0.065 1
1 916 . 4 1 1 A 79 79 VAL CB C 79 32.717 35.631 -2.914 1
1 926 . 4 1 1 A 79 79 VAL C C 79 174.289 173.838 0.451 1
1 927 . 4 1 1 A 80 80 PRO CA C 80 63.184 62.718 0.466 1
1 928 . 4 1 1 A 80 80 PRO HA H 80 4.160 4.679 -0.519 1
1 929 . 4 1 1 A 80 80 PRO CB C 80 33.128 32.424 0.704 1
1 935 . 4 1 1 A 80 80 PRO C C 80 174.009 176.800 -2.791 1
1 939 . 4 1 1 A 81 81 ALA N N 81 120.000 125.284 -5.284 1
1 940 . 4 1 1 A 81 81 ALA H H 81 8.371 7.927 0.444 1
1 941 . 4 1 1 A 81 81 ALA CA C 81 51.951 53.056 -1.105 1
1 942 . 4 1 1 A 81 81 ALA HA H 81 3.715 4.269 -0.554 1
1 943 . 4 1 1 A 81 81 ALA CB C 81 20.029 19.098 0.931 1
1 947 . 4 1 1 A 81 81 ALA C C 81 176.740 177.260 -0.520 1
1 948 . 4 1 1 A 82 82 ARG N N 82 111.901 118.118 -6.217 1
1 949 . 4 1 1 A 82 82 ARG H H 82 8.724 7.689 1.035 1
1 950 . 4 1 1 A 82 82 ARG CA C 82 57.062 55.156 1.906 1
1 951 . 4 1 1 A 82 82 ARG HA H 82 3.665 4.551 -0.886 1
1 952 . 4 1 1 A 82 82 ARG CB C 82 26.959 30.757 -3.798 1
1 958 . 4 1 1 A 82 82 ARG C C 82 176.777 175.662 1.115 1
1 962 . 4 1 1 A 83 83 GLY N N 83 107.610 108.874 -1.264 1
1 963 . 4 1 1 A 83 83 GLY H H 83 9.251 7.685 1.566 1
1 964 . 4 1 1 A 83 83 GLY CA C 83 46.389 46.765 -0.376 1
1 965 . 4 1 1 A 83 83 GLY HA3 H 83 3.731 3.604 0.127 1
1 966 . 4 1 1 A 83 83 GLY C C 83 176.193 174.819 1.374 1
1 967 . 4 1 1 A 83 83 GLY HA2 H 83 3.352 3.355 -0.003 1
1 968 . 4 1 1 A 84 84 GLY N N 84 106.030 107.417 -1.387 1
1 969 . 4 1 1 A 84 84 GLY H H 84 7.015 7.961 -0.946 1
1 970 . 4 1 1 A 84 84 GLY CA C 84 45.272 44.431 0.841 1
1 971 . 4 1 1 A 84 84 GLY HA3 H 84 3.537 3.976 -0.439 1
1 972 . 4 1 1 A 84 84 GLY C C 84 171.651 173.655 -2.004 1
1 973 . 4 1 1 A 84 84 GLY HA2 H 84 3.891 3.964 -0.073 1
1 974 . 4 1 1 A 85 85 LEU N N 85 120.524 122.518 -1.994 1
1 975 . 4 1 1 A 85 85 LEU H H 85 7.903 8.033 -0.130 1
1 976 . 4 1 1 A 85 85 LEU CA C 85 53.494 50.899 2.595 1
1 977 . 4 1 1 A 85 85 LEU HA H 85 4.346 4.817 -0.471 1
1 978 . 4 1 1 A 85 85 LEU CB C 85 42.901 43.547 -0.646 1
1 990 . 4 1 1 A 85 85 LEU C C 85 174.362 175.111 -0.749 1
1 992 . 4 1 1 A 86 86 PRO CA C 86 62.752 62.334 0.418 1
1 993 . 4 1 1 A 86 86 PRO HA H 86 4.570 4.922 -0.352 1
1 994 . 4 1 1 A 86 86 PRO CB C 86 33.557 32.302 1.255 1
1 1000 . 4 1 1 A 86 86 PRO C C 86 178.338 175.972 2.366 1
1 1004 . 4 1 1 A 87 87 ILE N N 87 118.504 122.462 -3.958 1
1 1005 . 4 1 1 A 87 87 ILE H H 87 7.544 8.504 -0.960 1
1 1006 . 4 1 1 A 87 87 ILE CA C 87 60.571 60.997 -0.426 1
1 1007 . 4 1 1 A 87 87 ILE HA H 87 4.021 4.468 -0.447 1
1 1008 . 4 1 1 A 87 87 ILE CB C 87 40.787 38.809 1.978 1
1 1020 . 4 1 1 A 87 87 ILE C C 87 175.620 175.961 -0.341 1
1 1022 . 4 1 1 A 88 88 THR N N 88 115.839 117.225 -1.386 1
1 1023 . 4 1 1 A 88 88 THR H H 88 8.788 9.018 -0.230 1
1 1024 . 4 1 1 A 88 88 THR CA C 88 58.935 59.191 -0.256 1
1 1025 . 4 1 1 A 88 88 THR HA H 88 5.678 5.582 0.096 1
1 1026 . 4 1 1 A 88 88 THR CB C 88 72.532 71.885 0.647 1
1 1032 . 4 1 1 A 88 88 THR C C 88 174.318 173.653 0.665 1
1 1033 . 4 1 1 A 89 89 GLN N N 89 121.295 120.461 0.834 1
1 1034 . 4 1 1 A 89 89 GLN H H 89 8.399 8.837 -0.438 1
1 1035 . 4 1 1 A 89 89 GLN CA C 89 56.259 54.340 1.919 1
1 1036 . 4 1 1 A 89 89 GLN HA H 89 4.528 4.821 -0.293 1
1 1037 . 4 1 1 A 89 89 GLN CB C 89 30.760 31.180 -0.420 1
1 1044 . 4 1 1 A 89 89 GLN C C 89 172.439 174.146 -1.707 1
1 1047 . 4 1 1 A 90 90 LEU N N 90 129.715 127.988 1.727 1
1 1048 . 4 1 1 A 90 90 LEU H H 90 8.426 8.355 0.071 1
1 1049 . 4 1 1 A 90 90 LEU CA C 90 54.513 54.737 -0.224 1
1 1050 . 4 1 1 A 90 90 LEU HA H 90 5.103 4.628 0.475 1
1 1051 . 4 1 1 A 90 90 LEU CB C 90 44.412 43.340 1.072 1
1 1063 . 4 1 1 A 90 90 LEU C C 90 175.027 174.699 0.328 1
1 1065 . 4 1 1 A 91 91 PHE N N 91 123.227 124.573 -1.346 1
1 1066 . 4 1 1 A 91 91 PHE H H 91 9.647 8.788 0.859 1
1 1067 . 4 1 1 A 91 91 PHE CA C 91 55.327 56.116 -0.789 1
1 1068 . 4 1 1 A 91 91 PHE HA H 91 5.064 5.502 -0.438 1
1 1069 . 4 1 1 A 91 91 PHE CB C 91 40.899 42.458 -1.559 1
1 1081 . 4 1 1 A 91 91 PHE C C 91 174.296 174.749 -0.453 1
1 1083 . 4 1 1 A 92 92 ARG N N 92 121.174 123.226 -2.052 1
1 1084 . 4 1 1 A 92 92 ARG H H 92 8.726 8.409 0.317 1
1 1085 . 4 1 1 A 92 92 ARG CA C 92 55.046 55.662 -0.616 1
1 1086 . 4 1 1 A 92 92 ARG HA H 92 5.109 4.738 0.371 1
1 1087 . 4 1 1 A 92 92 ARG CB C 92 32.524 30.530 1.994 1
1 1093 . 4 1 1 A 92 92 ARG C C 92 175.154 174.987 0.167 1
1 1097 . 4 1 1 A 93 93 ILE N N 93 126.629 125.610 1.019 1
1 1098 . 4 1 1 A 93 93 ILE H H 93 9.599 8.842 0.757 1
1 1099 . 4 1 1 A 93 93 ILE CA C 93 59.538 59.536 0.002 1
1 1100 . 4 1 1 A 93 93 ILE HA H 93 5.206 5.165 0.041 1
1 1101 . 4 1 1 A 93 93 ILE CB C 93 40.963 40.801 0.162 1
1 1113 . 4 1 1 A 93 93 ILE C C 93 174.400 174.676 -0.276 1
1 1115 . 4 1 1 A 94 94 LEU N N 94 127.940 127.355 0.585 1
1 1116 . 4 1 1 A 94 94 LEU H H 94 8.853 9.015 -0.162 1
1 1117 . 4 1 1 A 94 94 LEU CA C 94 53.673 53.275 0.398 1
1 1118 . 4 1 1 A 94 94 LEU HA H 94 5.152 5.109 0.043 1
1 1119 . 4 1 1 A 94 94 LEU CB C 94 44.245 42.868 1.377 1
1 1131 . 4 1 1 A 94 94 LEU C C 94 176.106 175.769 0.337 1
1 1133 . 4 1 1 A 95 95 ASN N N 95 119.567 123.078 -3.511 1
1 1134 . 4 1 1 A 95 95 ASN H H 95 9.271 9.000 0.271 1
1 1135 . 4 1 1 A 95 95 ASN CA C 95 49.634 50.808 -1.174 1
1 1136 . 4 1 1 A 95 95 ASN HA H 95 5.361 5.278 0.083 1
1 1137 . 4 1 1 A 95 95 ASN CB C 95 39.189 39.191 -0.002 1
1 1142 . 4 1 1 A 95 95 ASN C C 95 173.779 173.976 -0.197 1
1 1144 . 4 1 1 A 96 96 PRO CA C 96 64.795 64.465 0.330 1
1 1145 . 4 1 1 A 96 96 PRO HA H 96 4.306 4.479 -0.173 1
1 1146 . 4 1 1 A 96 96 PRO CB C 96 32.010 31.988 0.022 1
1 1152 . 4 1 1 A 96 96 PRO C C 96 177.656 177.709 -0.053 1
1 1156 . 4 1 1 A 97 97 ASN N N 97 114.343 114.481 -0.138 1
1 1157 . 4 1 1 A 97 97 ASN H H 97 8.840 7.855 0.985 1
1 1158 . 4 1 1 A 97 97 ASN CA C 97 52.889 52.702 0.187 1
1 1159 . 4 1 1 A 97 97 ASN HA H 97 4.828 4.809 0.019 1
1 1160 . 4 1 1 A 97 97 ASN CB C 97 38.085 38.662 -0.577 1
1 1165 . 4 1 1 A 97 97 ASN C C 97 174.361 174.287 0.074 1
1 1167 . 4 1 1 A 98 98 LYS N N 98 118.175 115.912 2.263 1
1 1168 . 4 1 1 A 98 98 LYS H H 98 7.735 7.542 0.193 1
1 1169 . 4 1 1 A 98 98 LYS CA C 98 57.625 57.219 0.406 1
1 1170 . 4 1 1 A 98 98 LYS HA H 98 3.780 3.915 -0.135 1
1 1171 . 4 1 1 A 98 98 LYS CB C 98 29.343 29.619 -0.276 1
1 1179 . 4 1 1 A 98 98 LYS C C 98 174.779 174.731 0.048 1
1 1184 . 4 1 1 A 99 99 ALA N N 99 122.321 121.357 0.964 1
1 1185 . 4 1 1 A 99 99 ALA H H 99 8.454 7.827 0.627 1
1 1186 . 4 1 1 A 99 99 ALA CA C 99 49.893 48.944 0.949 1
1 1187 . 4 1 1 A 99 99 ALA HA H 99 4.415 4.654 -0.239 1
1 1188 . 4 1 1 A 99 99 ALA CB C 99 18.125 20.359 -2.234 1
1 1192 . 4 1 1 A 99 99 ALA C C 99 175.018 175.964 -0.946 1
1 1193 . 4 1 1 A 100 100 PRO CA C 100 62.082 62.339 -0.257 1
1 1194 . 4 1 1 A 100 100 PRO CB C 100 31.068 29.987 1.081 1
1 1203 . 4 1 1 A 101 101 LEU H H 101 5.223 8.264 -3.041 1
1 1204 . 4 1 1 A 101 101 LEU CA C 101 55.181 53.285 1.896 1
1 1205 . 4 1 1 A 101 101 LEU HA H 101 3.758 4.886 -1.128 1
1 1206 . 4 1 1 A 101 101 LEU CB C 101 43.103 42.786 0.317 1
1 1218 . 4 1 1 A 101 101 LEU C C 101 174.350 176.423 -2.073 1
1 1220 . 4 1 1 A 102 102 ARG N N 102 122.304 118.059 4.245 1
1 1221 . 4 1 1 A 102 102 ARG H H 102 6.412 8.720 -2.308 1
1 1222 . 4 1 1 A 102 102 ARG CA C 102 54.659 54.392 0.267 1
1 1223 . 4 1 1 A 102 102 ARG HA H 102 4.500 5.059 -0.559 1
1 1224 . 4 1 1 A 102 102 ARG CB C 102 33.168 32.957 0.211 1
1 1230 . 4 1 1 A 102 102 ARG C C 102 173.625 174.268 -0.643 1
1 1234 . 4 1 1 A 103 103 LEU N N 103 119.849 121.803 -1.954 1
1 1235 . 4 1 1 A 103 103 LEU H H 103 8.301 8.811 -0.510 1
1 1236 . 4 1 1 A 103 103 LEU CA C 103 53.667 53.719 -0.052 1
1 1237 . 4 1 1 A 103 103 LEU HA H 103 4.886 5.103 -0.217 1
1 1238 . 4 1 1 A 103 103 LEU CB C 103 47.097 46.336 0.761 1
1 1250 . 4 1 1 A 103 103 LEU C C 103 173.874 173.846 0.028 1
1 1252 . 4 1 1 A 104 104 LYS N N 104 126.165 128.592 -2.427 1
1 1253 . 4 1 1 A 104 104 LYS H H 104 8.516 8.847 -0.331 1
1 1254 . 4 1 1 A 104 104 LYS CA C 104 55.117 55.040 0.077 1
1 1255 . 4 1 1 A 104 104 LYS HA H 104 4.773 4.809 -0.036 1
1 1256 . 4 1 1 A 104 104 LYS CB C 104 34.581 34.037 0.544 1
1 1264 . 4 1 1 A 104 104 LYS C C 104 174.980 174.896 0.084 1
1 1269 . 4 1 1 A 105 105 LEU N N 105 125.172 129.352 -4.180 1
1 1270 . 4 1 1 A 105 105 LEU H H 105 8.586 8.851 -0.265 1
1 1271 . 4 1 1 A 105 105 LEU CA C 105 53.059 53.154 -0.095 1
1 1272 . 4 1 1 A 105 105 LEU HA H 105 4.923 4.872 0.051 1
1 1273 . 4 1 1 A 105 105 LEU CB C 105 44.358 43.692 0.666 1
1 1285 . 4 1 1 A 105 105 LEU C C 105 174.037 175.541 -1.504 1
1 1287 . 4 1 1 A 106 106 ARG N N 106 119.880 124.029 -4.149 1
1 1288 . 4 1 1 A 106 106 ARG H H 106 8.363 8.741 -0.378 1
1 1289 . 4 1 1 A 106 106 ARG CA C 106 54.374 54.567 -0.193 1
1 1290 . 4 1 1 A 106 106 ARG HA H 106 4.926 4.812 0.114 1
1 1291 . 4 1 1 A 106 106 ARG CB C 106 32.783 32.971 -0.188 1
1 1297 . 4 1 1 A 106 106 ARG C C 106 174.611 174.316 0.295 1
1 1301 . 4 1 1 A 107 107 LEU N N 107 128.498 128.292 0.206 1
1 1302 . 4 1 1 A 107 107 LEU H H 107 9.260 8.784 0.476 1
1 1303 . 4 1 1 A 107 107 LEU CA C 107 52.942 53.502 -0.560 1
1 1304 . 4 1 1 A 107 107 LEU HA H 107 5.110 5.235 -0.125 1
1 1305 . 4 1 1 A 107 107 LEU CB C 107 45.279 43.321 1.958 1
1 1317 . 4 1 1 A 107 107 LEU C C 107 175.494 176.075 -0.581 1
1 1319 . 4 1 1 A 108 108 THR N N 108 114.947 115.357 -0.410 1
1 1320 . 4 1 1 A 108 108 THR H H 108 8.424 8.522 -0.098 1
1 1321 . 4 1 1 A 108 108 THR CA C 108 59.201 60.438 -1.237 1
1 1322 . 4 1 1 A 108 108 THR HA H 108 5.344 5.223 0.121 1
1 1323 . 4 1 1 A 108 108 THR CB C 108 71.413 70.988 0.425 1
1 1329 . 4 1 1 A 108 108 THR C C 108 172.424 172.932 -0.508 1
1 1330 . 4 1 1 A 109 109 TYR N N 109 114.691 120.032 -5.341 1
1 1331 . 4 1 1 A 109 109 TYR H H 109 8.056 8.482 -0.426 1
1 1332 . 4 1 1 A 109 109 TYR CA C 109 57.133 56.061 1.072 1
1 1333 . 4 1 1 A 109 109 TYR HA H 109 4.769 5.229 -0.460 1
1 1334 . 4 1 1 A 109 109 TYR CB C 109 38.008 40.418 -2.410 1
1 1344 . 4 1 1 A 109 109 TYR C C 109 171.790 171.871 -0.081 1
1 1346 . 4 1 1 A 110 110 ASP N N 110 119.179 120.207 -1.028 1
1 1347 . 4 1 1 A 110 110 ASP H H 110 9.332 9.031 0.301 1
1 1348 . 4 1 1 A 110 110 ASP CA C 110 53.147 53.471 -0.324 1
1 1349 . 4 1 1 A 110 110 ASP HA H 110 5.855 5.950 -0.095 1
1 1350 . 4 1 1 A 110 110 ASP CB C 110 42.179 43.298 -1.119 1
1 1352 . 4 1 1 A 110 110 ASP C C 110 176.257 175.087 1.170 1
1 1354 . 4 1 1 A 111 111 HIS N N 111 122.092 123.784 -1.692 1
1 1355 . 4 1 1 A 111 111 HIS H H 111 8.993 9.428 -0.435 1
1 1356 . 4 1 1 A 111 111 HIS CA C 111 55.365 55.546 -0.181 1
1 1357 . 4 1 1 A 111 111 HIS HA H 111 4.768 4.980 -0.212 1
1 1358 . 4 1 1 A 111 111 HIS CB C 111 36.414 33.259 3.155 1
1 1364 . 4 1 1 A 111 111 HIS C C 111 175.420 174.406 1.014 1
1 1366 . 4 1 1 A 112 112 PHE N N 112 129.361 123.534 5.827 1
1 1367 . 4 1 1 A 112 112 PHE H H 112 10.128 9.233 0.895 1
1 1368 . 4 1 1 A 112 112 PHE CA C 112 59.353 58.737 0.616 1
1 1369 . 4 1 1 A 112 112 PHE HA H 112 3.972 4.012 -0.040 1
1 1370 . 4 1 1 A 112 112 PHE CB C 112 36.136 36.776 -0.640 1
1 1382 . 4 1 1 A 112 112 PHE C C 112 175.288 175.087 0.201 1
1 1384 . 4 1 1 A 113 113 HIS N N 113 109.753 109.126 0.627 1
1 1385 . 4 1 1 A 113 113 HIS H H 113 8.856 8.299 0.557 1
1 1386 . 4 1 1 A 113 113 HIS CA C 113 57.593 56.725 0.868 1
1 1387 . 4 1 1 A 113 113 HIS HA H 113 4.168 4.160 0.008 1
1 1388 . 4 1 1 A 113 113 HIS CB C 113 27.575 26.864 0.711 1
1 1394 . 4 1 1 A 113 113 HIS C C 113 174.146 173.593 0.553 1
1 1396 . 4 1 1 A 114 114 GLN N N 114 118.510 117.906 0.604 1
1 1397 . 4 1 1 A 114 114 GLN H H 114 7.930 7.826 0.104 1
1 1398 . 4 1 1 A 114 114 GLN CA C 114 54.303 55.457 -1.154 1
1 1399 . 4 1 1 A 114 114 GLN HA H 114 4.674 4.690 -0.016 1
1 1400 . 4 1 1 A 114 114 GLN CB C 114 31.548 32.365 -0.817 1
1 1407 . 4 1 1 A 114 114 GLN C C 114 174.702 174.094 0.608 1
1 1410 . 4 1 1 A 115 115 SER N N 115 118.183 119.446 -1.263 1
1 1411 . 4 1 1 A 115 115 SER H H 115 8.528 8.643 -0.115 1
1 1412 . 4 1 1 A 115 115 SER CA C 115 57.665 58.016 -0.351 1
1 1413 . 4 1 1 A 115 115 SER HA H 115 5.112 4.866 0.246 1
1 1414 . 4 1 1 A 115 115 SER CB C 115 63.266 63.572 -0.306 1
1 1416 . 4 1 1 A 115 115 SER C C 115 174.157 173.536 0.621 1
1 1418 . 4 1 1 A 116 116 VAL N N 116 130.788 126.305 4.483 1
1 1419 . 4 1 1 A 116 116 VAL H H 116 9.445 8.984 0.461 1
1 1420 . 4 1 1 A 116 116 VAL CA C 116 62.375 61.734 0.641 1
1 1421 . 4 1 1 A 116 116 VAL HA H 116 3.870 4.485 -0.615 1
1 1422 . 4 1 1 A 116 116 VAL CB C 116 32.564 32.477 0.087 1
1 1432 . 4 1 1 A 116 116 VAL C C 116 175.674 174.292 1.382 1
1 1433 . 4 1 1 A 117 117 GLN N N 117 127.278 129.141 -1.863 1
1 1434 . 4 1 1 A 117 117 GLN H H 117 8.612 8.993 -0.381 1
1 1435 . 4 1 1 A 117 117 GLN CA C 117 55.004 54.572 0.432 1
1 1436 . 4 1 1 A 117 117 GLN HA H 117 5.170 4.990 0.180 1
1 1437 . 4 1 1 A 117 117 GLN CB C 117 31.166 31.301 -0.135 1
1 1444 . 4 1 1 A 117 117 GLN C C 117 174.229 174.222 0.007 1
1 1447 . 4 1 1 A 118 118 GLU N N 118 125.633 126.181 -0.548 1
1 1448 . 4 1 1 A 118 118 GLU H H 118 8.960 8.896 0.064 1
1 1449 . 4 1 1 A 118 118 GLU CA C 118 54.799 55.052 -0.253 1
1 1450 . 4 1 1 A 118 118 GLU HA H 118 4.869 5.065 -0.196 1
1 1451 . 4 1 1 A 118 118 GLU CB C 118 33.675 32.128 1.547 1
1 1455 . 4 1 1 A 118 118 GLU C C 118 174.340 175.602 -1.262 1
1 1458 . 4 1 1 A 119 119 ILE N N 119 123.525 125.674 -2.149 1
1 1459 . 4 1 1 A 119 119 ILE H H 119 8.683 9.040 -0.357 1
1 1460 . 4 1 1 A 119 119 ILE CA C 119 60.005 60.428 -0.423 1
1 1461 . 4 1 1 A 119 119 ILE HA H 119 5.157 4.650 0.507 1
1 1462 . 4 1 1 A 119 119 ILE CB C 119 40.761 39.520 1.241 1
1 1474 . 4 1 1 A 119 119 ILE C C 119 175.386 175.207 0.179 1
1 1476 . 4 1 1 A 120 120 PHE N N 120 122.954 123.989 -1.035 1
1 1477 . 4 1 1 A 120 120 PHE H H 120 8.647 8.180 0.467 1
1 1478 . 4 1 1 A 120 120 PHE CA C 120 55.754 54.950 0.804 1
1 1479 . 4 1 1 A 120 120 PHE HA H 120 5.064 5.689 -0.625 1
1 1480 . 4 1 1 A 120 120 PHE CB C 120 39.904 42.558 -2.654 1
1 1492 . 4 1 1 A 120 120 PHE C C 120 172.536 173.014 -0.478 1
1 1494 . 4 1 1 A 121 121 GLU N N 121 120.205 119.467 0.738 1
1 1495 . 4 1 1 A 121 121 GLU H H 121 8.807 8.749 0.058 1
1 1496 . 4 1 1 A 121 121 GLU CA C 121 54.976 55.313 -0.337 1
1 1497 . 4 1 1 A 121 121 GLU HA H 121 4.795 5.003 -0.208 1
1 1498 . 4 1 1 A 121 121 GLU CB C 121 31.537 32.433 -0.896 1
1 1502 . 4 1 1 A 121 121 GLU C C 121 175.979 175.839 0.140 1
1 1505 . 4 1 1 A 122 122 VAL N N 122 124.567 125.533 -0.966 1
1 1506 . 4 1 1 A 122 122 VAL H H 122 8.818 8.745 0.073 1
1 1507 . 4 1 1 A 122 122 VAL CA C 122 62.536 63.539 -1.003 1
1 1508 . 4 1 1 A 122 122 VAL HA H 122 4.300 4.174 0.126 1
1 1509 . 4 1 1 A 122 122 VAL CB C 122 32.136 31.280 0.856 1
1 1519 . 4 1 1 A 122 122 VAL C C 122 175.324 176.946 -1.622 1
1 1520 . 4 1 1 A 123 123 ASN N N 123 125.013 121.723 3.290 1
1 1521 . 4 1 1 A 123 123 ASN H H 123 8.770 8.856 -0.086 1
1 1522 . 4 1 1 A 123 123 ASN CA C 123 52.889 52.567 0.322 1
1 1523 . 4 1 1 A 123 123 ASN HA H 123 5.072 4.995 0.077 1
1 1524 . 4 1 1 A 123 123 ASN CB C 123 40.114 39.112 1.002 1
1 1529 . 4 1 1 A 123 123 ASN C C 123 174.799 175.572 -0.773 1
1 1531 . 4 1 1 A 124 124 ASN N N 124 117.247 116.292 0.955 1
1 1532 . 4 1 1 A 124 124 ASN H H 124 8.599 8.412 0.187 1
1 1533 . 4 1 1 A 124 124 ASN CA C 124 52.853 52.355 0.498 1
1 1534 . 4 1 1 A 124 124 ASN HA H 124 4.721 4.777 -0.056 1
1 1535 . 4 1 1 A 124 124 ASN CB C 124 36.882 37.794 -0.912 1
1 1540 . 4 1 1 A 124 124 ASN C C 124 174.437 175.475 -1.038 1
1 1542 . 4 1 1 A 125 125 LEU N N 125 119.273 123.355 -4.082 1
1 1543 . 4 1 1 A 125 125 LEU H H 125 8.105 7.353 0.752 1
1 1544 . 4 1 1 A 125 125 LEU CA C 125 53.787 53.574 0.213 1
1 1545 . 4 1 1 A 125 125 LEU HA H 125 4.187 4.491 -0.304 1
1 1546 . 4 1 1 A 125 125 LEU CB C 125 40.398 41.078 -0.680 1
1 1558 . 4 1 1 A 125 125 LEU C C 125 175.528 174.648 0.880 1
1 1560 . 4 1 1 A 126 126 PRO CA C 126 62.439 62.361 0.078 1
1 1561 . 4 1 1 A 126 126 PRO HA H 126 4.519 4.475 0.044 1
1 1562 . 4 1 1 A 126 126 PRO CB C 126 31.210 32.437 -1.227 1
1 1568 . 4 1 1 A 126 126 PRO C C 126 179.073 176.847 2.226 1
1 1572 . 4 1 1 A 127 127 VAL N N 127 124.759 122.822 1.937 1
1 1573 . 4 1 1 A 127 127 VAL H H 127 8.794 8.788 0.006 1
1 1574 . 4 1 1 A 127 127 VAL CA C 127 64.360 64.460 -0.100 1
1 1575 . 4 1 1 A 127 127 VAL HA H 127 3.216 3.979 -0.763 1
1 1576 . 4 1 1 A 127 127 VAL CB C 127 30.825 31.956 -1.131 1
1 1586 . 4 1 1 A 127 127 VAL C C 127 176.789 177.191 -0.402 1
1 1587 . 4 1 1 A 128 128 GLU N N 128 119.892 122.480 -2.588 1
1 1588 . 4 1 1 A 128 128 GLU H H 128 9.460 8.152 1.308 1
1 1589 . 4 1 1 A 128 128 GLU CA C 128 59.216 59.482 -0.266 1
1 1590 . 4 1 1 A 128 128 GLU HA H 128 3.831 3.580 0.251 1
1 1591 . 4 1 1 A 128 128 GLU CB C 128 29.188 29.343 -0.155 1
1 1595 . 4 1 1 A 128 128 GLU C C 128 177.624 178.499 -0.875 1
1 1598 . 4 1 1 A 129 129 SER N N 129 112.727 113.541 -0.814 1
1 1599 . 4 1 1 A 129 129 SER H H 129 8.057 7.993 0.064 1
1 1600 . 4 1 1 A 129 129 SER CA C 129 61.024 61.551 -0.527 1
1 1601 . 4 1 1 A 129 129 SER HA H 129 3.925 4.191 -0.266 1
1 1602 . 4 1 1 A 129 129 SER CB C 129 64.440 62.538 1.902 1
1 1604 . 4 1 1 A 129 129 SER C C 129 173.147 176.052 -2.905 1
1 1606 . 4 1 1 A 130 130 TRP N N 130 117.092 118.488 -1.396 1
1 1607 . 4 1 1 A 130 130 TRP H H 130 7.184 7.515 -0.331 1
1 1608 . 4 1 1 A 130 130 TRP CA C 130 57.027 58.395 -1.368 1
1 1609 . 4 1 1 A 130 130 TRP HA H 130 4.974 4.680 0.294 1
1 1610 . 4 1 1 A 130 130 TRP CB C 130 31.384 30.239 1.145 1
1 1624 . 4 1 1 A 130 130 TRP C C 130 174.759 177.680 -2.921 1
1 1 . 5 1 1 A 6 6 SER CA C 6 58.371 59.052 -0.681 1
1 2 . 5 1 1 A 6 6 SER HA H 6 4.533 4.157 0.376 1
1 3 . 5 1 1 A 6 6 SER CB C 6 63.994 61.043 2.951 1
1 5 . 5 1 1 A 6 6 SER C C 6 174.472 174.042 0.430 1
1 7 . 5 1 1 A 7 7 GLY N N 7 110.741 110.124 0.617 1
1 8 . 5 1 1 A 7 7 GLY H H 7 8.209 8.161 0.048 1
1 9 . 5 1 1 A 7 7 GLY CA C 7 44.501 44.484 0.017 1
1 10 . 5 1 1 A 7 7 GLY HA3 H 7 4.059 4.035 0.024 1
1 11 . 5 1 1 A 7 7 GLY C C 7 171.084 172.974 -1.890 1
1 12 . 5 1 1 A 7 7 GLY HA2 H 7 4.155 4.035 0.120 1
1 13 . 5 1 1 A 8 8 PRO CA C 8 61.515 62.133 -0.618 1
1 14 . 5 1 1 A 8 8 PRO HA H 8 4.713 4.593 0.120 1
1 15 . 5 1 1 A 8 8 PRO CB C 8 30.760 31.597 -0.837 1
1 24 . 5 1 1 A 9 9 PRO HA H 9 4.724 4.580 0.144 1
1 30 . 5 1 1 A 10 10 PRO CA C 10 62.761 62.459 0.302 1
1 31 . 5 1 1 A 10 10 PRO HA H 10 4.389 4.592 -0.203 1
1 32 . 5 1 1 A 10 10 PRO CB C 10 32.082 33.178 -1.096 1
1 37 . 5 1 1 A 10 10 PRO C C 10 176.236 175.302 0.934 1
1 41 . 5 1 1 A 11 11 ALA N N 11 125.926 121.272 4.654 1
1 42 . 5 1 1 A 11 11 ALA H H 11 8.352 8.209 0.143 1
1 43 . 5 1 1 A 11 11 ALA CA C 11 50.343 49.223 1.120 1
1 44 . 5 1 1 A 11 11 ALA HA H 11 4.583 4.812 -0.229 1
1 45 . 5 1 1 A 11 11 ALA CB C 11 18.255 20.227 -1.972 1
1 49 . 5 1 1 A 11 11 ALA C C 11 175.479 175.164 0.315 1
1 50 . 5 1 1 A 12 12 PRO CA C 12 62.757 62.221 0.536 1
1 51 . 5 1 1 A 12 12 PRO HA H 12 4.386 4.604 -0.218 1
1 52 . 5 1 1 A 12 12 PRO CB C 12 32.104 33.095 -0.991 1
1 57 . 5 1 1 A 12 12 PRO C C 12 176.478 175.435 1.043 1
1 61 . 5 1 1 A 13 13 ILE N N 13 124.607 121.494 3.113 1
1 62 . 5 1 1 A 13 13 ILE H H 13 8.661 8.489 0.172 1
1 63 . 5 1 1 A 13 13 ILE CA C 13 59.081 58.246 0.835 1
1 64 . 5 1 1 A 13 13 ILE HA H 13 4.288 4.508 -0.220 1
1 65 . 5 1 1 A 13 13 ILE CB C 13 39.710 38.515 1.195 1
1 77 . 5 1 1 A 13 13 ILE C C 13 174.727 174.664 0.063 1
1 79 . 5 1 1 A 14 14 PRO CA C 14 63.433 62.243 1.190 1
1 80 . 5 1 1 A 14 14 PRO HA H 14 4.457 4.603 -0.146 1
1 81 . 5 1 1 A 14 14 PRO CB C 14 32.428 32.474 -0.046 1
1 86 . 5 1 1 A 14 14 PRO C C 14 175.380 176.361 -0.981 1
1 90 . 5 1 1 A 15 15 ASP N N 15 118.741 120.048 -1.307 1
1 91 . 5 1 1 A 15 15 ASP H H 15 8.042 8.531 -0.489 1
1 92 . 5 1 1 A 15 15 ASP CA C 15 54.213 53.486 0.727 1
1 93 . 5 1 1 A 15 15 ASP HA H 15 5.064 4.957 0.107 1
1 94 . 5 1 1 A 15 15 ASP CB C 15 41.793 41.572 0.221 1
1 96 . 5 1 1 A 15 15 ASP C C 15 176.413 175.570 0.843 1
1 98 . 5 1 1 A 16 16 LEU N N 16 121.451 122.190 -0.739 1
1 99 . 5 1 1 A 16 16 LEU H H 16 9.016 8.487 0.529 1
1 100 . 5 1 1 A 16 16 LEU CA C 16 53.914 54.390 -0.476 1
1 101 . 5 1 1 A 16 16 LEU HA H 16 4.847 4.911 -0.064 1
1 102 . 5 1 1 A 16 16 LEU CB C 16 48.283 45.792 2.491 1
1 114 . 5 1 1 A 16 16 LEU C C 16 174.915 174.725 0.190 1
1 116 . 5 1 1 A 17 17 LYS N N 17 130.346 127.606 2.740 1
1 117 . 5 1 1 A 17 17 LYS H H 17 8.937 8.804 0.133 1
1 118 . 5 1 1 A 17 17 LYS CA C 17 57.027 57.158 -0.131 1
1 119 . 5 1 1 A 17 17 LYS HA H 17 4.821 4.361 0.460 1
1 120 . 5 1 1 A 17 17 LYS CB C 17 31.991 32.896 -0.905 1
1 128 . 5 1 1 A 17 17 LYS C C 17 177.744 176.314 1.430 1
1 133 . 5 1 1 A 18 18 VAL N N 18 116.605 121.720 -5.115 1
1 134 . 5 1 1 A 18 18 VAL H H 18 8.228 8.593 -0.365 1
1 135 . 5 1 1 A 18 18 VAL CA C 18 60.586 62.080 -1.494 1
1 136 . 5 1 1 A 18 18 VAL HA H 18 4.807 4.413 0.394 1
1 137 . 5 1 1 A 18 18 VAL CB C 18 33.601 33.669 -0.068 1
1 147 . 5 1 1 A 18 18 VAL C C 18 174.118 175.530 -1.412 1
1 148 . 5 1 1 A 19 19 PHE N N 19 120.586 121.200 -0.614 1
1 149 . 5 1 1 A 19 19 PHE H H 19 7.429 7.180 0.249 1
1 150 . 5 1 1 A 19 19 PHE CA C 19 57.947 56.939 1.008 1
1 151 . 5 1 1 A 19 19 PHE HA H 19 4.544 4.626 -0.082 1
1 152 . 5 1 1 A 19 19 PHE CB C 19 43.455 42.483 0.972 1
1 162 . 5 1 1 A 19 19 PHE C C 19 172.947 173.202 -0.255 1
1 164 . 5 1 1 A 20 20 GLU N N 20 126.790 126.710 0.080 1
1 165 . 5 1 1 A 20 20 GLU H H 20 7.620 8.480 -0.860 1
1 166 . 5 1 1 A 20 20 GLU CA C 20 55.117 54.955 0.162 1
1 167 . 5 1 1 A 20 20 GLU HA H 20 5.059 4.730 0.329 1
1 168 . 5 1 1 A 20 20 GLU CB C 20 32.091 32.254 -0.163 1
1 172 . 5 1 1 A 20 20 GLU C C 20 174.073 174.176 -0.103 1
1 175 . 5 1 1 A 21 21 ARG N N 21 125.153 127.853 -2.700 1
1 176 . 5 1 1 A 21 21 ARG H H 21 8.806 8.803 0.003 1
1 177 . 5 1 1 A 21 21 ARG CA C 21 56.532 53.920 2.612 1
1 178 . 5 1 1 A 21 21 ARG HA H 21 4.234 4.928 -0.694 1
1 179 . 5 1 1 A 21 21 ARG CB C 21 33.707 33.805 -0.098 1
1 185 . 5 1 1 A 21 21 ARG C C 21 176.293 175.035 1.258 1
1 189 . 5 1 1 A 22 22 GLU N N 22 132.286 124.992 7.294 1
1 190 . 5 1 1 A 22 22 GLU H H 22 9.887 8.729 1.158 1
1 191 . 5 1 1 A 22 22 GLU CA C 22 57.271 57.739 -0.468 1
1 192 . 5 1 1 A 22 22 GLU HA H 22 3.968 4.183 -0.215 1
1 193 . 5 1 1 A 22 22 GLU CB C 22 28.595 29.192 -0.597 1
1 197 . 5 1 1 A 22 22 GLU C C 22 175.219 177.110 -1.891 1
1 200 . 5 1 1 A 23 23 GLY N N 23 103.445 113.666 -10.221 1
1 201 . 5 1 1 A 23 23 GLY H H 23 8.570 8.869 -0.299 1
1 202 . 5 1 1 A 23 23 GLY CA C 23 45.698 45.398 0.300 1
1 203 . 5 1 1 A 23 23 GLY HA3 H 23 4.242 4.206 0.036 1
1 204 . 5 1 1 A 23 23 GLY C C 23 173.517 174.409 -0.892 1
1 205 . 5 1 1 A 23 23 GLY HA2 H 23 3.658 4.177 -0.519 1
1 206 . 5 1 1 A 24 24 VAL N N 24 124.489 120.831 3.658 1
1 207 . 5 1 1 A 24 24 VAL H H 24 8.016 8.235 -0.219 1
1 208 . 5 1 1 A 24 24 VAL CA C 24 61.341 60.828 0.513 1
1 209 . 5 1 1 A 24 24 VAL HA H 24 4.780 4.881 -0.101 1
1 210 . 5 1 1 A 24 24 VAL CB C 24 32.051 34.663 -2.612 1
1 220 . 5 1 1 A 24 24 VAL C C 24 175.459 174.630 0.829 1
1 221 . 5 1 1 A 25 25 GLN N N 25 123.296 124.504 -1.208 1
1 222 . 5 1 1 A 25 25 GLN H H 25 8.446 8.535 -0.089 1
1 223 . 5 1 1 A 25 25 GLN CA C 25 53.879 54.360 -0.481 1
1 224 . 5 1 1 A 25 25 GLN HA H 25 5.378 5.051 0.327 1
1 225 . 5 1 1 A 25 25 GLN CB C 25 33.065 33.311 -0.246 1
1 232 . 5 1 1 A 25 25 GLN C C 25 174.348 174.155 0.193 1
1 235 . 5 1 1 A 26 26 LEU N N 26 120.847 124.248 -3.401 1
1 236 . 5 1 1 A 26 26 LEU H H 26 8.579 9.172 -0.593 1
1 237 . 5 1 1 A 26 26 LEU CA C 26 53.914 54.166 -0.252 1
1 238 . 5 1 1 A 26 26 LEU HA H 26 5.400 5.234 0.166 1
1 239 . 5 1 1 A 26 26 LEU CB C 26 47.336 46.290 1.046 1
1 251 . 5 1 1 A 26 26 LEU C C 26 174.842 174.501 0.341 1
1 253 . 5 1 1 A 27 27 ASN N N 27 124.346 124.325 0.021 1
1 254 . 5 1 1 A 27 27 ASN H H 27 8.738 8.892 -0.154 1
1 255 . 5 1 1 A 27 27 ASN CA C 27 52.063 51.807 0.256 1
1 256 . 5 1 1 A 27 27 ASN HA H 27 5.542 5.416 0.126 1
1 257 . 5 1 1 A 27 27 ASN CB C 27 43.866 42.138 1.728 1
1 262 . 5 1 1 A 27 27 ASN C C 27 173.520 173.901 -0.381 1
1 264 . 5 1 1 A 28 28 LEU N N 28 124.198 124.845 -0.647 1
1 265 . 5 1 1 A 28 28 LEU H H 28 9.406 8.520 0.886 1
1 266 . 5 1 1 A 28 28 LEU CA C 28 53.773 53.286 0.487 1
1 267 . 5 1 1 A 28 28 LEU HA H 28 4.995 5.361 -0.366 1
1 268 . 5 1 1 A 28 28 LEU CB C 28 44.307 46.224 -1.917 1
1 280 . 5 1 1 A 28 28 LEU C C 28 174.670 174.333 0.337 1
1 282 . 5 1 1 A 29 29 SER N N 29 115.017 123.136 -8.119 1
1 283 . 5 1 1 A 29 29 SER H H 29 8.314 8.470 -0.156 1
1 284 . 5 1 1 A 29 29 SER CA C 29 56.340 57.352 -1.012 1
1 285 . 5 1 1 A 29 29 SER HA H 29 4.807 5.031 -0.224 1
1 286 . 5 1 1 A 29 29 SER CB C 29 65.926 65.436 0.490 1
1 288 . 5 1 1 A 29 29 SER C C 29 172.842 173.318 -0.476 1
1 290 . 5 1 1 A 30 30 PHE N N 30 119.941 125.117 -5.176 1
1 291 . 5 1 1 A 30 30 PHE H H 30 9.366 9.178 0.188 1
1 292 . 5 1 1 A 30 30 PHE CA C 30 57.047 57.169 -0.122 1
1 293 . 5 1 1 A 30 30 PHE HA H 30 5.374 5.254 0.120 1
1 294 . 5 1 1 A 30 30 PHE CB C 30 44.307 40.572 3.735 1
1 306 . 5 1 1 A 30 30 PHE C C 30 175.242 175.127 0.115 1
1 308 . 5 1 1 A 31 31 ILE N N 31 122.161 123.496 -1.335 1
1 309 . 5 1 1 A 31 31 ILE H H 31 8.950 9.064 -0.114 1
1 310 . 5 1 1 A 31 31 ILE CA C 31 60.680 60.124 0.556 1
1 311 . 5 1 1 A 31 31 ILE HA H 31 4.338 4.967 -0.629 1
1 312 . 5 1 1 A 31 31 ILE CB C 31 42.354 40.561 1.793 1
1 324 . 5 1 1 A 31 31 ILE C C 31 174.368 175.169 -0.801 1
1 326 . 5 1 1 A 32 32 ARG N N 32 128.976 127.356 1.620 1
1 327 . 5 1 1 A 32 32 ARG H H 32 8.773 8.790 -0.017 1
1 328 . 5 1 1 A 32 32 ARG CA C 32 51.444 53.064 -1.620 1
1 329 . 5 1 1 A 32 32 ARG HA H 32 5.263 4.935 0.328 1
1 330 . 5 1 1 A 32 32 ARG CB C 32 29.600 31.309 -1.709 1
1 338 . 5 1 1 A 32 32 ARG C C 32 173.585 173.607 -0.022 1
1 342 . 5 1 1 A 33 33 PRO CA C 33 60.759 61.867 -1.108 1
1 343 . 5 1 1 A 33 33 PRO HA H 33 4.581 4.672 -0.091 1
1 344 . 5 1 1 A 33 33 PRO CB C 33 32.219 32.494 -0.275 1
1 353 . 5 1 1 A 34 34 PRO CA C 34 64.464 65.218 -0.754 1
1 354 . 5 1 1 A 34 34 PRO HA H 34 4.236 4.230 0.006 1
1 355 . 5 1 1 A 34 34 PRO CB C 34 31.997 32.046 -0.049 1
1 361 . 5 1 1 A 34 34 PRO C C 34 178.240 178.563 -0.323 1
1 365 . 5 1 1 A 35 35 GLU N N 35 115.025 116.065 -1.040 1
1 366 . 5 1 1 A 35 35 GLU H H 35 9.287 8.881 0.406 1
1 367 . 5 1 1 A 35 35 GLU CA C 35 57.753 58.898 -1.145 1
1 368 . 5 1 1 A 35 35 GLU HA H 35 4.205 4.134 0.071 1
1 369 . 5 1 1 A 35 35 GLU CB C 35 28.595 28.889 -0.294 1
1 373 . 5 1 1 A 35 35 GLU C C 35 176.471 176.982 -0.511 1
1 376 . 5 1 1 A 36 36 ASN N N 36 114.302 117.998 -3.696 1
1 377 . 5 1 1 A 36 36 ASN H H 36 7.257 7.882 -0.625 1
1 378 . 5 1 1 A 36 36 ASN CA C 36 50.593 50.251 0.342 1
1 379 . 5 1 1 A 36 36 ASN HA H 36 5.024 5.187 -0.163 1
1 380 . 5 1 1 A 36 36 ASN CB C 36 39.094 39.018 0.076 1
1 385 . 5 1 1 A 36 36 ASN C C 36 172.128 173.481 -1.353 1
1 387 . 5 1 1 A 37 37 PRO CA C 37 64.287 64.882 -0.595 1
1 388 . 5 1 1 A 37 37 PRO HA H 37 4.600 4.346 0.254 1
1 389 . 5 1 1 A 37 37 PRO CB C 37 32.235 31.992 0.243 1
1 394 . 5 1 1 A 37 37 PRO C C 37 176.707 177.820 -1.113 1
1 398 . 5 1 1 A 38 38 ALA N N 38 117.780 117.964 -0.184 1
1 399 . 5 1 1 A 38 38 ALA H H 38 7.596 8.037 -0.441 1
1 400 . 5 1 1 A 38 38 ALA CA C 38 52.674 53.080 -0.406 1
1 401 . 5 1 1 A 38 38 ALA HA H 38 4.262 4.378 -0.116 1
1 402 . 5 1 1 A 38 38 ALA CB C 38 19.201 19.345 -0.144 1
1 406 . 5 1 1 A 38 38 ALA C C 38 176.546 176.972 -0.426 1
1 407 . 5 1 1 A 39 39 LEU N N 39 122.870 121.215 1.655 1
1 408 . 5 1 1 A 39 39 LEU H H 39 7.963 7.144 0.819 1
1 409 . 5 1 1 A 39 39 LEU CA C 39 54.548 54.031 0.517 1
1 410 . 5 1 1 A 39 39 LEU HA H 39 4.953 4.957 -0.004 1
1 411 . 5 1 1 A 39 39 LEU CB C 39 44.768 44.649 0.119 1
1 423 . 5 1 1 A 39 39 LEU C C 39 173.627 175.416 -1.789 1
1 425 . 5 1 1 A 40 40 LEU N N 40 125.985 128.459 -2.474 1
1 426 . 5 1 1 A 40 40 LEU H H 40 9.247 8.863 0.384 1
1 427 . 5 1 1 A 40 40 LEU CA C 40 53.914 53.639 0.275 1
1 428 . 5 1 1 A 40 40 LEU HA H 40 5.018 5.138 -0.120 1
1 429 . 5 1 1 A 40 40 LEU CB C 40 45.014 44.483 0.531 1
1 441 . 5 1 1 A 40 40 LEU C C 40 174.170 174.884 -0.714 1
1 443 . 5 1 1 A 41 41 LEU N N 41 125.906 129.165 -3.259 1
1 444 . 5 1 1 A 41 41 LEU H H 41 9.224 8.911 0.313 1
1 445 . 5 1 1 A 41 41 LEU CA C 41 53.190 54.111 -0.921 1
1 446 . 5 1 1 A 41 41 LEU HA H 41 5.222 5.108 0.114 1
1 447 . 5 1 1 A 41 41 LEU CB C 41 42.034 41.553 0.481 1
1 459 . 5 1 1 A 41 41 LEU C C 41 177.109 176.065 1.044 1
1 461 . 5 1 1 A 42 42 ILE N N 42 124.731 126.001 -1.270 1
1 462 . 5 1 1 A 42 42 ILE H H 42 9.087 8.611 0.476 1
1 463 . 5 1 1 A 42 42 ILE CA C 42 59.794 60.539 -0.745 1
1 464 . 5 1 1 A 42 42 ILE HA H 42 5.055 4.796 0.259 1
1 465 . 5 1 1 A 42 42 ILE CB C 42 41.019 38.826 2.193 1
1 477 . 5 1 1 A 42 42 ILE C C 42 175.074 175.308 -0.234 1
1 479 . 5 1 1 A 43 43 THR N N 43 123.315 120.773 2.542 1
1 480 . 5 1 1 A 43 43 THR H H 43 8.589 8.514 0.075 1
1 481 . 5 1 1 A 43 43 THR CA C 43 61.677 61.263 0.414 1
1 482 . 5 1 1 A 43 43 THR HA H 43 5.023 5.513 -0.490 1
1 483 . 5 1 1 A 43 43 THR CB C 43 69.838 72.938 -3.100 1
1 489 . 5 1 1 A 43 43 THR C C 43 174.993 173.556 1.437 1
1 490 . 5 1 1 A 44 44 ILE N N 44 126.677 123.854 2.823 1
1 491 . 5 1 1 A 44 44 ILE H H 44 9.329 8.939 0.390 1
1 492 . 5 1 1 A 44 44 ILE CA C 44 59.794 59.866 -0.072 1
1 493 . 5 1 1 A 44 44 ILE HA H 44 4.953 5.104 -0.151 1
1 494 . 5 1 1 A 44 44 ILE CB C 44 38.754 41.640 -2.886 1
1 506 . 5 1 1 A 44 44 ILE C C 44 174.670 175.107 -0.437 1
1 508 . 5 1 1 A 45 45 THR N N 45 120.442 122.733 -2.291 1
1 509 . 5 1 1 A 45 45 THR H H 45 8.740 8.884 -0.144 1
1 510 . 5 1 1 A 45 45 THR CA C 45 61.579 61.428 0.151 1
1 511 . 5 1 1 A 45 45 THR HA H 45 5.266 4.830 0.436 1
1 512 . 5 1 1 A 45 45 THR CB C 45 70.338 70.352 -0.014 1
1 518 . 5 1 1 A 45 45 THR C C 45 174.494 173.410 1.084 1
1 519 . 5 1 1 A 46 46 ALA N N 46 134.267 129.993 4.274 1
1 520 . 5 1 1 A 46 46 ALA H H 46 9.489 8.460 1.029 1
1 521 . 5 1 1 A 46 46 ALA CA C 46 49.846 50.988 -1.142 1
1 522 . 5 1 1 A 46 46 ALA HA H 46 5.554 4.893 0.661 1
1 523 . 5 1 1 A 46 46 ALA CB C 46 20.414 20.009 0.405 1
1 527 . 5 1 1 A 46 46 ALA C C 46 174.819 177.133 -2.314 1
1 528 . 5 1 1 A 47 47 THR N N 47 111.611 114.686 -3.075 1
1 529 . 5 1 1 A 47 47 THR H H 47 8.431 8.622 -0.191 1
1 530 . 5 1 1 A 47 47 THR CA C 47 59.331 59.600 -0.269 1
1 531 . 5 1 1 A 47 47 THR HA H 47 4.409 5.055 -0.646 1
1 532 . 5 1 1 A 47 47 THR CB C 47 71.655 71.391 0.264 1
1 538 . 5 1 1 A 47 47 THR C C 47 173.104 172.913 0.191 1
1 539 . 5 1 1 A 48 48 ASN N N 48 117.087 120.623 -3.536 1
1 540 . 5 1 1 A 48 48 ASN H H 48 8.647 8.327 0.320 1
1 541 . 5 1 1 A 48 48 ASN CA C 48 51.019 51.738 -0.719 1
1 542 . 5 1 1 A 48 48 ASN HA H 48 5.096 5.146 -0.050 1
1 543 . 5 1 1 A 48 48 ASN CB C 48 39.880 41.764 -1.884 1
1 548 . 5 1 1 A 48 48 ASN C C 48 173.769 174.262 -0.493 1
1 550 . 5 1 1 A 49 49 PHE N N 49 123.238 122.838 0.400 1
1 551 . 5 1 1 A 49 49 PHE H H 49 9.105 8.542 0.563 1
1 552 . 5 1 1 A 49 49 PHE CA C 49 57.422 57.749 -0.327 1
1 553 . 5 1 1 A 49 49 PHE HA H 49 4.601 4.743 -0.142 1
1 554 . 5 1 1 A 49 49 PHE CB C 49 38.770 40.682 -1.912 1
1 566 . 5 1 1 A 49 49 PHE C C 49 176.238 175.501 0.737 1
1 568 . 5 1 1 A 50 50 SER N N 50 118.477 114.592 3.885 1
1 569 . 5 1 1 A 50 50 SER H H 50 8.344 7.611 0.733 1
1 570 . 5 1 1 A 50 50 SER CA C 50 58.654 58.084 0.570 1
1 571 . 5 1 1 A 50 50 SER HA H 50 4.933 4.541 0.392 1
1 572 . 5 1 1 A 50 50 SER CB C 50 66.611 65.543 1.068 1
1 573 . 5 1 1 A 50 50 SER C C 50 173.089 175.920 -2.831 1
1 574 . 5 1 1 A 51 51 GLU N N 51 114.036 118.226 -4.190 1
1 575 . 5 1 1 A 51 51 GLU H H 51 9.051 8.912 0.139 1
1 576 . 5 1 1 A 51 51 GLU CA C 51 56.701 56.498 0.203 1
1 577 . 5 1 1 A 51 51 GLU HA H 51 4.358 4.484 -0.126 1
1 578 . 5 1 1 A 51 51 GLU CB C 51 30.323 29.433 0.890 1
1 582 . 5 1 1 A 51 51 GLU C C 51 175.603 175.988 -0.385 1
1 585 . 5 1 1 A 52 52 GLY N N 52 109.625 108.600 1.025 1
1 586 . 5 1 1 A 52 52 GLY H H 52 8.525 7.771 0.754 1
1 587 . 5 1 1 A 52 52 GLY CA C 52 44.267 44.358 -0.091 1
1 588 . 5 1 1 A 52 52 GLY HA3 H 52 4.505 3.887 0.618 1
1 589 . 5 1 1 A 52 52 GLY C C 52 173.168 173.086 0.082 1
1 590 . 5 1 1 A 52 52 GLY HA2 H 52 2.842 3.338 -0.496 1
1 591 . 5 1 1 A 53 53 ASP N N 53 125.175 125.274 -0.099 1
1 592 . 5 1 1 A 53 53 ASP H H 53 9.001 8.723 0.278 1
1 593 . 5 1 1 A 53 53 ASP CA C 53 55.793 55.296 0.497 1
1 594 . 5 1 1 A 53 53 ASP HA H 53 4.082 4.557 -0.475 1
1 595 . 5 1 1 A 53 53 ASP CB C 53 40.522 41.386 -0.864 1
1 597 . 5 1 1 A 53 53 ASP C C 53 176.506 175.913 0.593 1
1 599 . 5 1 1 A 54 54 VAL N N 54 125.250 121.718 3.532 1
1 600 . 5 1 1 A 54 54 VAL H H 54 7.873 8.037 -0.164 1
1 601 . 5 1 1 A 54 54 VAL CA C 54 61.350 61.220 0.130 1
1 602 . 5 1 1 A 54 54 VAL HA H 54 4.759 5.031 -0.272 1
1 603 . 5 1 1 A 54 54 VAL CB C 54 32.808 33.530 -0.722 1
1 613 . 5 1 1 A 54 54 VAL C C 54 176.126 175.218 0.908 1
1 614 . 5 1 1 A 55 55 THR N N 55 116.888 117.308 -0.420 1
1 615 . 5 1 1 A 55 55 THR H H 55 9.004 8.603 0.401 1
1 616 . 5 1 1 A 55 55 THR CA C 55 59.194 59.916 -0.722 1
1 617 . 5 1 1 A 55 55 THR HA H 55 4.920 5.000 -0.080 1
1 618 . 5 1 1 A 55 55 THR CB C 55 72.508 71.841 0.667 1
1 624 . 5 1 1 A 55 55 THR C C 55 173.166 173.474 -0.308 1
1 625 . 5 1 1 A 56 56 HIS N N 56 115.667 116.744 -1.077 1
1 626 . 5 1 1 A 56 56 HIS H H 56 9.193 8.333 0.860 1
1 627 . 5 1 1 A 56 56 HIS CA C 56 56.363 56.401 -0.038 1
1 628 . 5 1 1 A 56 56 HIS HA H 56 4.153 4.050 0.103 1
1 629 . 5 1 1 A 56 56 HIS CB C 56 26.923 27.332 -0.409 1
1 635 . 5 1 1 A 56 56 HIS C C 56 173.611 173.723 -0.112 1
1 637 . 5 1 1 A 57 57 PHE N N 57 118.625 118.443 0.182 1
1 638 . 5 1 1 A 57 57 PHE H H 57 8.932 7.780 1.152 1
1 639 . 5 1 1 A 57 57 PHE CA C 57 59.503 56.816 2.687 1
1 640 . 5 1 1 A 57 57 PHE HA H 57 4.819 5.022 -0.203 1
1 641 . 5 1 1 A 57 57 PHE CB C 57 39.871 39.803 0.068 1
1 653 . 5 1 1 A 57 57 PHE C C 57 176.025 174.087 1.938 1
1 655 . 5 1 1 A 58 58 ILE N N 58 131.418 128.152 3.266 1
1 656 . 5 1 1 A 58 58 ILE H H 58 8.989 9.718 -0.729 1
1 657 . 5 1 1 A 58 58 ILE CA C 58 61.138 60.156 0.982 1
1 658 . 5 1 1 A 58 58 ILE HA H 58 4.001 4.391 -0.390 1
1 659 . 5 1 1 A 58 58 ILE CB C 58 41.349 38.309 3.040 1
1 671 . 5 1 1 A 58 58 ILE C C 58 173.046 174.181 -1.135 1
1 673 . 5 1 1 A 59 59 CYS N N 59 126.838 127.980 -1.142 1
1 674 . 5 1 1 A 59 59 CYS H H 59 8.844 8.744 0.100 1
1 675 . 5 1 1 A 59 59 CYS CA C 59 56.902 56.915 -0.013 1
1 676 . 5 1 1 A 59 59 CYS HA H 59 5.044 5.057 -0.013 1
1 677 . 5 1 1 A 59 59 CYS CB C 59 28.363 28.880 -0.517 1
1 679 . 5 1 1 A 59 59 CYS C C 59 173.375 173.479 -0.104 1
1 681 . 5 1 1 A 60 60 GLN N N 60 126.903 127.116 -0.213 1
1 682 . 5 1 1 A 60 60 GLN H H 60 8.929 8.537 0.392 1
1 683 . 5 1 1 A 60 60 GLN CA C 60 54.162 54.555 -0.393 1
1 684 . 5 1 1 A 60 60 GLN HA H 60 4.656 5.059 -0.403 1
1 685 . 5 1 1 A 60 60 GLN CB C 60 31.991 31.644 0.347 1
1 691 . 5 1 1 A 60 60 GLN C C 60 174.000 174.750 -0.750 1
1 694 . 5 1 1 A 61 61 ALA N N 61 124.049 120.881 3.168 1
1 695 . 5 1 1 A 61 61 ALA H H 61 8.178 8.604 -0.426 1
1 696 . 5 1 1 A 61 61 ALA CA C 61 50.160 51.212 -1.052 1
1 697 . 5 1 1 A 61 61 ALA HA H 61 5.192 5.075 0.117 1
1 698 . 5 1 1 A 61 61 ALA CB C 61 23.419 23.782 -0.363 1
1 702 . 5 1 1 A 61 61 ALA C C 61 175.076 175.343 -0.267 1
1 703 . 5 1 1 A 62 62 ALA N N 62 121.362 120.094 1.268 1
1 704 . 5 1 1 A 62 62 ALA H H 62 8.488 8.365 0.123 1
1 705 . 5 1 1 A 62 62 ALA CA C 62 51.309 51.540 -0.231 1
1 706 . 5 1 1 A 62 62 ALA HA H 62 4.667 4.986 -0.319 1
1 707 . 5 1 1 A 62 62 ALA CB C 62 22.617 23.474 -0.857 1
1 711 . 5 1 1 A 62 62 ALA C C 62 176.013 176.073 -0.060 1
1 712 . 5 1 1 A 63 63 VAL N N 63 113.572 114.668 -1.096 1
1 713 . 5 1 1 A 63 63 VAL H H 63 8.271 8.692 -0.421 1
1 714 . 5 1 1 A 63 63 VAL CA C 63 57.691 57.799 -0.108 1
1 715 . 5 1 1 A 63 63 VAL HA H 63 5.045 4.931 0.114 1
1 716 . 5 1 1 A 63 63 VAL CB C 63 32.968 34.481 -1.513 1
1 726 . 5 1 1 A 63 63 VAL C C 63 173.707 173.250 0.457 1
1 727 . 5 1 1 A 64 64 PRO CA C 64 62.757 62.579 0.178 1
1 728 . 5 1 1 A 64 64 PRO HA H 64 4.459 4.638 -0.179 1
1 729 . 5 1 1 A 64 64 PRO CB C 64 32.728 32.528 0.200 1
1 735 . 5 1 1 A 64 64 PRO C C 64 176.348 177.952 -1.604 1
1 739 . 5 1 1 A 65 65 LYS N N 65 118.624 123.071 -4.447 1
1 740 . 5 1 1 A 65 65 LYS H H 65 8.323 8.594 -0.271 1
1 741 . 5 1 1 A 65 65 LYS CA C 65 58.516 59.278 -0.762 1
1 742 . 5 1 1 A 65 65 LYS HA H 65 4.183 4.025 0.158 1
1 743 . 5 1 1 A 65 65 LYS CB C 65 32.320 31.924 0.396 1
1 751 . 5 1 1 A 65 65 LYS C C 65 176.595 178.379 -1.784 1
1 756 . 5 1 1 A 66 66 SER N N 66 111.762 114.935 -3.173 1
1 757 . 5 1 1 A 66 66 SER H H 66 7.779 8.011 -0.232 1
1 758 . 5 1 1 A 66 66 SER CA C 66 59.298 61.459 -2.161 1
1 759 . 5 1 1 A 66 66 SER HA H 66 4.234 4.123 0.111 1
1 760 . 5 1 1 A 66 66 SER CB C 66 62.984 63.083 -0.099 1
1 762 . 5 1 1 A 66 66 SER C C 66 174.137 174.021 0.116 1
1 764 . 5 1 1 A 67 67 LEU N N 67 124.569 120.100 4.469 1
1 765 . 5 1 1 A 67 67 LEU H H 67 8.109 8.017 0.092 1
1 766 . 5 1 1 A 67 67 LEU CA C 67 54.940 53.037 1.903 1
1 767 . 5 1 1 A 67 67 LEU HA H 67 4.836 5.034 -0.198 1
1 768 . 5 1 1 A 67 67 LEU CB C 67 43.882 44.408 -0.526 1
1 780 . 5 1 1 A 67 67 LEU C C 67 174.925 175.606 -0.681 1
1 782 . 5 1 1 A 68 68 GLN N N 68 117.163 120.942 -3.779 1
1 783 . 5 1 1 A 68 68 GLN H H 68 8.063 8.738 -0.675 1
1 784 . 5 1 1 A 68 68 GLN CA C 68 54.829 54.089 0.740 1
1 785 . 5 1 1 A 68 68 GLN HA H 68 4.674 5.112 -0.438 1
1 786 . 5 1 1 A 68 68 GLN CB C 68 31.579 32.396 -0.817 1
1 793 . 5 1 1 A 68 68 GLN C C 68 174.077 173.808 0.269 1
1 796 . 5 1 1 A 69 69 LEU N N 69 126.046 123.767 2.279 1
1 797 . 5 1 1 A 69 69 LEU H H 69 8.676 8.832 -0.156 1
1 798 . 5 1 1 A 69 69 LEU CA C 69 54.073 54.121 -0.048 1
1 799 . 5 1 1 A 69 69 LEU HA H 69 5.231 5.086 0.145 1
1 800 . 5 1 1 A 69 69 LEU CB C 69 45.602 46.180 -0.578 1
1 811 . 5 1 1 A 69 69 LEU C C 69 175.497 174.425 1.072 1
1 813 . 5 1 1 A 70 70 GLN N N 70 126.758 126.068 0.690 1
1 814 . 5 1 1 A 70 70 GLN H H 70 9.410 9.085 0.325 1
1 815 . 5 1 1 A 70 70 GLN CA C 70 54.657 54.197 0.460 1
1 816 . 5 1 1 A 70 70 GLN HA H 70 4.746 5.174 -0.428 1
1 817 . 5 1 1 A 70 70 GLN CB C 70 31.537 32.154 -0.617 1
1 824 . 5 1 1 A 70 70 GLN C C 70 174.686 173.749 0.937 1
1 827 . 5 1 1 A 71 71 LEU N N 71 126.413 128.437 -2.024 1
1 828 . 5 1 1 A 71 71 LEU H H 71 8.936 8.691 0.245 1
1 829 . 5 1 1 A 71 71 LEU CA C 71 55.294 53.978 1.316 1
1 830 . 5 1 1 A 71 71 LEU HA H 71 4.752 4.671 0.081 1
1 831 . 5 1 1 A 71 71 LEU CB C 71 43.898 43.410 0.488 1
1 843 . 5 1 1 A 71 71 LEU C C 71 176.498 175.250 1.248 1
1 845 . 5 1 1 A 72 72 GLN N N 72 121.553 127.407 -5.854 1
1 846 . 5 1 1 A 72 72 GLN H H 72 8.100 7.953 0.147 1
1 847 . 5 1 1 A 72 72 GLN CA C 72 54.209 54.796 -0.587 1
1 848 . 5 1 1 A 72 72 GLN HA H 72 4.589 4.515 0.074 1
1 849 . 5 1 1 A 72 72 GLN CB C 72 31.142 30.099 1.043 1
1 856 . 5 1 1 A 72 72 GLN C C 72 174.254 175.622 -1.368 1
1 859 . 5 1 1 A 73 73 ALA N N 73 124.262 127.589 -3.327 1
1 860 . 5 1 1 A 73 73 ALA H H 73 8.452 8.423 0.029 1
1 861 . 5 1 1 A 73 73 ALA CA C 73 51.211 50.570 0.641 1
1 862 . 5 1 1 A 73 73 ALA HA H 73 4.500 4.219 0.281 1
1 863 . 5 1 1 A 73 73 ALA CB C 73 17.185 19.239 -2.054 1
1 867 . 5 1 1 A 73 73 ALA C C 73 176.548 175.941 0.607 1
1 868 . 5 1 1 A 74 74 PRO CA C 74 62.160 62.275 -0.115 1
1 869 . 5 1 1 A 74 74 PRO HA H 74 4.848 4.558 0.290 1
1 870 . 5 1 1 A 74 74 PRO CB C 74 32.897 33.230 -0.333 1
1 874 . 5 1 1 A 74 74 PRO C C 74 177.266 176.415 0.851 1
1 878 . 5 1 1 A 75 75 SER N N 75 115.398 115.274 0.124 1
1 879 . 5 1 1 A 75 75 SER H H 75 9.293 8.773 0.520 1
1 880 . 5 1 1 A 75 75 SER CA C 75 61.024 59.363 1.661 1
1 881 . 5 1 1 A 75 75 SER HA H 75 4.154 4.497 -0.343 1
1 882 . 5 1 1 A 75 75 SER CB C 75 62.867 64.977 -2.110 1
1 884 . 5 1 1 A 75 75 SER C C 75 174.460 174.252 0.208 1
1 886 . 5 1 1 A 76 76 GLY N N 76 106.233 106.459 -0.226 1
1 887 . 5 1 1 A 76 76 GLY H H 76 7.208 7.293 -0.085 1
1 888 . 5 1 1 A 76 76 GLY CA C 76 44.930 45.865 -0.935 1
1 889 . 5 1 1 A 76 76 GLY HA3 H 76 4.306 3.993 0.313 1
1 890 . 5 1 1 A 76 76 GLY C C 76 171.327 173.469 -2.142 1
1 891 . 5 1 1 A 76 76 GLY HA2 H 76 4.095 3.987 0.108 1
1 892 . 5 1 1 A 77 77 ASN CA C 77 53.060 53.080 -0.020 1
1 893 . 5 1 1 A 77 77 ASN HA H 77 5.001 4.921 0.080 1
1 894 . 5 1 1 A 77 77 ASN CB C 77 40.650 39.130 1.520 1
1 899 . 5 1 1 A 77 77 ASN C C 77 173.427 173.605 -0.178 1
1 901 . 5 1 1 A 78 78 THR N N 78 114.705 116.068 -1.363 1
1 902 . 5 1 1 A 78 78 THR H H 78 7.579 7.603 -0.024 1
1 903 . 5 1 1 A 78 78 THR CA C 78 59.766 61.639 -1.873 1
1 904 . 5 1 1 A 78 78 THR HA H 78 5.174 4.918 0.256 1
1 905 . 5 1 1 A 78 78 THR CB C 78 71.855 71.198 0.657 1
1 911 . 5 1 1 A 78 78 THR C C 78 173.138 173.425 -0.287 1
1 912 . 5 1 1 A 79 79 VAL N N 79 123.606 124.864 -1.258 1
1 913 . 5 1 1 A 79 79 VAL H H 79 8.696 9.454 -0.758 1
1 914 . 5 1 1 A 79 79 VAL CA C 79 58.982 58.842 0.140 1
1 915 . 5 1 1 A 79 79 VAL HA H 79 4.495 4.447 0.048 1
1 916 . 5 1 1 A 79 79 VAL CB C 79 32.717 35.874 -3.157 1
1 926 . 5 1 1 A 79 79 VAL C C 79 174.289 173.632 0.657 1
1 927 . 5 1 1 A 80 80 PRO CA C 80 63.184 62.777 0.407 1
1 928 . 5 1 1 A 80 80 PRO HA H 80 4.160 4.626 -0.466 1
1 929 . 5 1 1 A 80 80 PRO CB C 80 33.128 32.698 0.430 1
1 935 . 5 1 1 A 80 80 PRO C C 80 174.009 176.569 -2.560 1
1 939 . 5 1 1 A 81 81 ALA N N 81 120.000 124.562 -4.562 1
1 940 . 5 1 1 A 81 81 ALA H H 81 8.371 8.033 0.338 1
1 941 . 5 1 1 A 81 81 ALA CA C 81 51.951 53.282 -1.331 1
1 942 . 5 1 1 A 81 81 ALA HA H 81 3.715 4.187 -0.472 1
1 943 . 5 1 1 A 81 81 ALA CB C 81 20.029 19.376 0.653 1
1 947 . 5 1 1 A 81 81 ALA C C 81 176.740 177.584 -0.844 1
1 948 . 5 1 1 A 82 82 ARG N N 82 111.901 117.439 -5.538 1
1 949 . 5 1 1 A 82 82 ARG H H 82 8.724 7.647 1.077 1
1 950 . 5 1 1 A 82 82 ARG CA C 82 57.062 55.301 1.761 1
1 951 . 5 1 1 A 82 82 ARG HA H 82 3.665 4.607 -0.942 1
1 952 . 5 1 1 A 82 82 ARG CB C 82 26.959 29.990 -3.031 1
1 958 . 5 1 1 A 82 82 ARG C C 82 176.777 175.598 1.179 1
1 962 . 5 1 1 A 83 83 GLY N N 83 107.610 108.862 -1.252 1
1 963 . 5 1 1 A 83 83 GLY H H 83 9.251 7.948 1.303 1
1 964 . 5 1 1 A 83 83 GLY CA C 83 46.389 46.916 -0.527 1
1 965 . 5 1 1 A 83 83 GLY HA3 H 83 3.731 4.037 -0.306 1
1 966 . 5 1 1 A 83 83 GLY C C 83 176.193 174.784 1.409 1
1 967 . 5 1 1 A 83 83 GLY HA2 H 83 3.352 3.486 -0.134 1
1 968 . 5 1 1 A 84 84 GLY N N 84 106.030 107.106 -1.076 1
1 969 . 5 1 1 A 84 84 GLY H H 84 7.015 8.098 -1.083 1
1 970 . 5 1 1 A 84 84 GLY CA C 84 45.272 44.506 0.766 1
1 971 . 5 1 1 A 84 84 GLY HA3 H 84 3.537 4.012 -0.475 1
1 972 . 5 1 1 A 84 84 GLY C C 84 171.651 173.245 -1.594 1
1 973 . 5 1 1 A 84 84 GLY HA2 H 84 3.891 3.988 -0.097 1
1 974 . 5 1 1 A 85 85 LEU N N 85 120.524 122.708 -2.184 1
1 975 . 5 1 1 A 85 85 LEU H H 85 7.903 8.110 -0.207 1
1 976 . 5 1 1 A 85 85 LEU CA C 85 53.494 50.987 2.507 1
1 977 . 5 1 1 A 85 85 LEU HA H 85 4.346 4.887 -0.541 1
1 978 . 5 1 1 A 85 85 LEU CB C 85 42.901 43.289 -0.388 1
1 990 . 5 1 1 A 85 85 LEU C C 85 174.362 175.184 -0.822 1
1 992 . 5 1 1 A 86 86 PRO CA C 86 62.752 62.320 0.432 1
1 993 . 5 1 1 A 86 86 PRO HA H 86 4.570 4.539 0.031 1
1 994 . 5 1 1 A 86 86 PRO CB C 86 33.557 32.335 1.222 1
1 1000 . 5 1 1 A 86 86 PRO C C 86 178.338 176.107 2.231 1
1 1004 . 5 1 1 A 87 87 ILE N N 87 118.504 122.538 -4.034 1
1 1005 . 5 1 1 A 87 87 ILE H H 87 7.544 8.574 -1.030 1
1 1006 . 5 1 1 A 87 87 ILE CA C 87 60.571 60.920 -0.349 1
1 1007 . 5 1 1 A 87 87 ILE HA H 87 4.021 4.513 -0.492 1
1 1008 . 5 1 1 A 87 87 ILE CB C 87 40.787 38.882 1.905 1
1 1020 . 5 1 1 A 87 87 ILE C C 87 175.620 175.533 0.087 1
1 1022 . 5 1 1 A 88 88 THR N N 88 115.839 116.644 -0.805 1
1 1023 . 5 1 1 A 88 88 THR H H 88 8.788 8.907 -0.119 1
1 1024 . 5 1 1 A 88 88 THR CA C 88 58.935 59.902 -0.967 1
1 1025 . 5 1 1 A 88 88 THR HA H 88 5.678 5.576 0.102 1
1 1026 . 5 1 1 A 88 88 THR CB C 88 72.532 71.899 0.633 1
1 1032 . 5 1 1 A 88 88 THR C C 88 174.318 172.603 1.715 1
1 1033 . 5 1 1 A 89 89 GLN N N 89 121.295 121.438 -0.143 1
1 1034 . 5 1 1 A 89 89 GLN H H 89 8.399 8.918 -0.519 1
1 1035 . 5 1 1 A 89 89 GLN CA C 89 56.259 54.075 2.184 1
1 1036 . 5 1 1 A 89 89 GLN HA H 89 4.528 4.875 -0.347 1
1 1037 . 5 1 1 A 89 89 GLN CB C 89 30.760 32.636 -1.876 1
1 1044 . 5 1 1 A 89 89 GLN C C 89 172.439 172.961 -0.522 1
1 1047 . 5 1 1 A 90 90 LEU N N 90 129.715 125.947 3.768 1
1 1048 . 5 1 1 A 90 90 LEU H H 90 8.426 8.474 -0.048 1
1 1049 . 5 1 1 A 90 90 LEU CA C 90 54.513 52.931 1.582 1
1 1050 . 5 1 1 A 90 90 LEU HA H 90 5.103 5.207 -0.104 1
1 1051 . 5 1 1 A 90 90 LEU CB C 90 44.412 45.316 -0.904 1
1 1063 . 5 1 1 A 90 90 LEU C C 90 175.027 174.005 1.022 1
1 1065 . 5 1 1 A 91 91 PHE N N 91 123.227 123.700 -0.473 1
1 1066 . 5 1 1 A 91 91 PHE H H 91 9.647 8.771 0.876 1
1 1067 . 5 1 1 A 91 91 PHE CA C 91 55.327 56.140 -0.813 1
1 1068 . 5 1 1 A 91 91 PHE HA H 91 5.064 5.512 -0.448 1
1 1069 . 5 1 1 A 91 91 PHE CB C 91 40.899 42.390 -1.491 1
1 1081 . 5 1 1 A 91 91 PHE C C 91 174.296 174.815 -0.519 1
1 1083 . 5 1 1 A 92 92 ARG N N 92 121.174 123.230 -2.056 1
1 1084 . 5 1 1 A 92 92 ARG H H 92 8.726 8.847 -0.121 1
1 1085 . 5 1 1 A 92 92 ARG CA C 92 55.046 55.669 -0.623 1
1 1086 . 5 1 1 A 92 92 ARG HA H 92 5.109 4.740 0.369 1
1 1087 . 5 1 1 A 92 92 ARG CB C 92 32.524 30.581 1.943 1
1 1093 . 5 1 1 A 92 92 ARG C C 92 175.154 175.036 0.118 1
1 1097 . 5 1 1 A 93 93 ILE N N 93 126.629 125.549 1.080 1
1 1098 . 5 1 1 A 93 93 ILE H H 93 9.599 8.797 0.802 1
1 1099 . 5 1 1 A 93 93 ILE CA C 93 59.538 59.853 -0.315 1
1 1100 . 5 1 1 A 93 93 ILE HA H 93 5.206 5.108 0.098 1
1 1101 . 5 1 1 A 93 93 ILE CB C 93 40.963 40.991 -0.028 1
1 1113 . 5 1 1 A 93 93 ILE C C 93 174.400 174.885 -0.485 1
1 1115 . 5 1 1 A 94 94 LEU N N 94 127.940 126.904 1.036 1
1 1116 . 5 1 1 A 94 94 LEU H H 94 8.853 8.907 -0.054 1
1 1117 . 5 1 1 A 94 94 LEU CA C 94 53.673 53.256 0.417 1
1 1118 . 5 1 1 A 94 94 LEU HA H 94 5.152 5.126 0.026 1
1 1119 . 5 1 1 A 94 94 LEU CB C 94 44.245 43.790 0.455 1
1 1131 . 5 1 1 A 94 94 LEU C C 94 176.106 175.926 0.180 1
1 1133 . 5 1 1 A 95 95 ASN N N 95 119.567 122.481 -2.914 1
1 1134 . 5 1 1 A 95 95 ASN H H 95 9.271 8.903 0.368 1
1 1135 . 5 1 1 A 95 95 ASN CA C 95 49.634 50.780 -1.146 1
1 1136 . 5 1 1 A 95 95 ASN HA H 95 5.361 5.259 0.102 1
1 1137 . 5 1 1 A 95 95 ASN CB C 95 39.189 39.161 0.028 1
1 1142 . 5 1 1 A 95 95 ASN C C 95 173.779 173.868 -0.089 1
1 1144 . 5 1 1 A 96 96 PRO CA C 96 64.795 64.648 0.147 1
1 1145 . 5 1 1 A 96 96 PRO HA H 96 4.306 4.465 -0.159 1
1 1146 . 5 1 1 A 96 96 PRO CB C 96 32.010 31.952 0.058 1
1 1152 . 5 1 1 A 96 96 PRO C C 96 177.656 177.493 0.163 1
1 1156 . 5 1 1 A 97 97 ASN N N 97 114.343 114.729 -0.386 1
1 1157 . 5 1 1 A 97 97 ASN H H 97 8.840 7.837 1.003 1
1 1158 . 5 1 1 A 97 97 ASN CA C 97 52.889 53.533 -0.644 1
1 1159 . 5 1 1 A 97 97 ASN HA H 97 4.828 4.780 0.048 1
1 1160 . 5 1 1 A 97 97 ASN CB C 97 38.085 38.509 -0.424 1
1 1165 . 5 1 1 A 97 97 ASN C C 97 174.361 174.518 -0.157 1
1 1167 . 5 1 1 A 98 98 LYS N N 98 118.175 116.121 2.054 1
1 1168 . 5 1 1 A 98 98 LYS H H 98 7.735 7.581 0.154 1
1 1169 . 5 1 1 A 98 98 LYS CA C 98 57.625 57.286 0.339 1
1 1170 . 5 1 1 A 98 98 LYS HA H 98 3.780 3.894 -0.114 1
1 1171 . 5 1 1 A 98 98 LYS CB C 98 29.343 29.349 -0.006 1
1 1179 . 5 1 1 A 98 98 LYS C C 98 174.779 174.826 -0.047 1
1 1184 . 5 1 1 A 99 99 ALA N N 99 122.321 121.424 0.897 1
1 1185 . 5 1 1 A 99 99 ALA H H 99 8.454 7.817 0.637 1
1 1186 . 5 1 1 A 99 99 ALA CA C 99 49.893 48.908 0.985 1
1 1187 . 5 1 1 A 99 99 ALA HA H 99 4.415 4.611 -0.196 1
1 1188 . 5 1 1 A 99 99 ALA CB C 99 18.125 20.324 -2.199 1
1 1192 . 5 1 1 A 99 99 ALA C C 99 175.018 176.184 -1.166 1
1 1193 . 5 1 1 A 100 100 PRO CA C 100 62.082 62.384 -0.302 1
1 1194 . 5 1 1 A 100 100 PRO CB C 100 31.068 30.194 0.874 1
1 1203 . 5 1 1 A 101 101 LEU H H 101 5.223 8.306 -3.083 1
1 1204 . 5 1 1 A 101 101 LEU CA C 101 55.181 53.295 1.886 1
1 1205 . 5 1 1 A 101 101 LEU HA H 101 3.758 4.901 -1.143 1
1 1206 . 5 1 1 A 101 101 LEU CB C 101 43.103 43.140 -0.037 1
1 1218 . 5 1 1 A 101 101 LEU C C 101 174.350 175.979 -1.629 1
1 1220 . 5 1 1 A 102 102 ARG N N 102 122.304 119.824 2.480 1
1 1221 . 5 1 1 A 102 102 ARG H H 102 6.412 8.439 -2.027 1
1 1222 . 5 1 1 A 102 102 ARG CA C 102 54.659 54.387 0.272 1
1 1223 . 5 1 1 A 102 102 ARG HA H 102 4.500 4.919 -0.419 1
1 1224 . 5 1 1 A 102 102 ARG CB C 102 33.168 33.310 -0.142 1
1 1230 . 5 1 1 A 102 102 ARG C C 102 173.625 174.715 -1.090 1
1 1234 . 5 1 1 A 103 103 LEU N N 103 119.849 123.943 -4.094 1
1 1235 . 5 1 1 A 103 103 LEU H H 103 8.301 8.839 -0.538 1
1 1236 . 5 1 1 A 103 103 LEU CA C 103 53.667 53.686 -0.019 1
1 1237 . 5 1 1 A 103 103 LEU HA H 103 4.886 5.118 -0.232 1
1 1238 . 5 1 1 A 103 103 LEU CB C 103 47.097 46.515 0.582 1
1 1250 . 5 1 1 A 103 103 LEU C C 103 173.874 173.629 0.245 1
1 1252 . 5 1 1 A 104 104 LYS N N 104 126.165 128.024 -1.859 1
1 1253 . 5 1 1 A 104 104 LYS H H 104 8.516 8.883 -0.367 1
1 1254 . 5 1 1 A 104 104 LYS CA C 104 55.117 54.822 0.295 1
1 1255 . 5 1 1 A 104 104 LYS HA H 104 4.773 5.114 -0.341 1
1 1256 . 5 1 1 A 104 104 LYS CB C 104 34.581 34.128 0.453 1
1 1264 . 5 1 1 A 104 104 LYS C C 104 174.980 174.781 0.199 1
1 1269 . 5 1 1 A 105 105 LEU N N 105 125.172 126.063 -0.891 1
1 1270 . 5 1 1 A 105 105 LEU H H 105 8.586 8.910 -0.324 1
1 1271 . 5 1 1 A 105 105 LEU CA C 105 53.059 53.388 -0.329 1
1 1272 . 5 1 1 A 105 105 LEU HA H 105 4.923 4.816 0.107 1
1 1273 . 5 1 1 A 105 105 LEU CB C 105 44.358 44.466 -0.108 1
1 1285 . 5 1 1 A 105 105 LEU C C 105 174.037 174.879 -0.842 1
1 1287 . 5 1 1 A 106 106 ARG N N 106 119.880 126.033 -6.153 1
1 1288 . 5 1 1 A 106 106 ARG H H 106 8.363 9.076 -0.713 1
1 1289 . 5 1 1 A 106 106 ARG CA C 106 54.374 54.627 -0.253 1
1 1290 . 5 1 1 A 106 106 ARG HA H 106 4.926 4.741 0.185 1
1 1291 . 5 1 1 A 106 106 ARG CB C 106 32.783 31.998 0.785 1
1 1297 . 5 1 1 A 106 106 ARG C C 106 174.611 174.405 0.206 1
1 1301 . 5 1 1 A 107 107 LEU N N 107 128.498 128.786 -0.288 1
1 1302 . 5 1 1 A 107 107 LEU H H 107 9.260 8.669 0.591 1
1 1303 . 5 1 1 A 107 107 LEU CA C 107 52.942 53.671 -0.729 1
1 1304 . 5 1 1 A 107 107 LEU HA H 107 5.110 5.314 -0.204 1
1 1305 . 5 1 1 A 107 107 LEU CB C 107 45.279 43.078 2.201 1
1 1317 . 5 1 1 A 107 107 LEU C C 107 175.494 175.941 -0.447 1
1 1319 . 5 1 1 A 108 108 THR N N 108 114.947 116.213 -1.266 1
1 1320 . 5 1 1 A 108 108 THR H H 108 8.424 8.882 -0.458 1
1 1321 . 5 1 1 A 108 108 THR CA C 108 59.201 60.436 -1.235 1
1 1322 . 5 1 1 A 108 108 THR HA H 108 5.344 5.335 0.009 1
1 1323 . 5 1 1 A 108 108 THR CB C 108 71.413 70.994 0.419 1
1 1329 . 5 1 1 A 108 108 THR C C 108 172.424 173.583 -1.159 1
1 1330 . 5 1 1 A 109 109 TYR N N 109 114.691 120.064 -5.373 1
1 1331 . 5 1 1 A 109 109 TYR H H 109 8.056 8.757 -0.701 1
1 1332 . 5 1 1 A 109 109 TYR CA C 109 57.133 55.910 1.223 1
1 1333 . 5 1 1 A 109 109 TYR HA H 109 4.769 5.408 -0.639 1
1 1334 . 5 1 1 A 109 109 TYR CB C 109 38.008 40.683 -2.675 1
1 1344 . 5 1 1 A 109 109 TYR C C 109 171.790 171.790 0.000 1
1 1346 . 5 1 1 A 110 110 ASP N N 110 119.179 120.984 -1.805 1
1 1347 . 5 1 1 A 110 110 ASP H H 110 9.332 8.750 0.582 1
1 1348 . 5 1 1 A 110 110 ASP CA C 110 53.147 53.162 -0.015 1
1 1349 . 5 1 1 A 110 110 ASP HA H 110 5.855 5.482 0.373 1
1 1350 . 5 1 1 A 110 110 ASP CB C 110 42.179 43.089 -0.910 1
1 1352 . 5 1 1 A 110 110 ASP C C 110 176.257 175.011 1.246 1
1 1354 . 5 1 1 A 111 111 HIS N N 111 122.092 124.558 -2.466 1
1 1355 . 5 1 1 A 111 111 HIS H H 111 8.993 9.200 -0.207 1
1 1356 . 5 1 1 A 111 111 HIS CA C 111 55.365 55.986 -0.621 1
1 1357 . 5 1 1 A 111 111 HIS HA H 111 4.768 5.079 -0.311 1
1 1358 . 5 1 1 A 111 111 HIS CB C 111 36.414 33.901 2.513 1
1 1364 . 5 1 1 A 111 111 HIS C C 111 175.420 174.370 1.050 1
1 1366 . 5 1 1 A 112 112 PHE N N 112 129.361 123.173 6.188 1
1 1367 . 5 1 1 A 112 112 PHE H H 112 10.128 9.447 0.681 1
1 1368 . 5 1 1 A 112 112 PHE CA C 112 59.353 58.918 0.435 1
1 1369 . 5 1 1 A 112 112 PHE HA H 112 3.972 4.114 -0.142 1
1 1370 . 5 1 1 A 112 112 PHE CB C 112 36.136 36.775 -0.639 1
1 1382 . 5 1 1 A 112 112 PHE C C 112 175.288 175.145 0.143 1
1 1384 . 5 1 1 A 113 113 HIS N N 113 109.753 109.188 0.565 1
1 1385 . 5 1 1 A 113 113 HIS H H 113 8.856 8.550 0.306 1
1 1386 . 5 1 1 A 113 113 HIS CA C 113 57.593 56.875 0.718 1
1 1387 . 5 1 1 A 113 113 HIS HA H 113 4.168 4.167 0.001 1
1 1388 . 5 1 1 A 113 113 HIS CB C 113 27.575 26.848 0.727 1
1 1394 . 5 1 1 A 113 113 HIS C C 113 174.146 173.663 0.483 1
1 1396 . 5 1 1 A 114 114 GLN N N 114 118.510 114.154 4.356 1
1 1397 . 5 1 1 A 114 114 GLN H H 114 7.930 7.830 0.100 1
1 1398 . 5 1 1 A 114 114 GLN CA C 114 54.303 54.510 -0.207 1
1 1399 . 5 1 1 A 114 114 GLN HA H 114 4.674 4.735 -0.061 1
1 1400 . 5 1 1 A 114 114 GLN CB C 114 31.548 31.511 0.037 1
1 1407 . 5 1 1 A 114 114 GLN C C 114 174.702 174.158 0.544 1
1 1410 . 5 1 1 A 115 115 SER N N 115 118.183 115.514 2.669 1
1 1411 . 5 1 1 A 115 115 SER H H 115 8.528 8.611 -0.083 1
1 1412 . 5 1 1 A 115 115 SER CA C 115 57.665 58.093 -0.428 1
1 1413 . 5 1 1 A 115 115 SER HA H 115 5.112 4.747 0.365 1
1 1414 . 5 1 1 A 115 115 SER CB C 115 63.266 63.493 -0.227 1
1 1416 . 5 1 1 A 115 115 SER C C 115 174.157 173.647 0.510 1
1 1418 . 5 1 1 A 116 116 VAL N N 116 130.788 126.153 4.635 1
1 1419 . 5 1 1 A 116 116 VAL H H 116 9.445 8.674 0.771 1
1 1420 . 5 1 1 A 116 116 VAL CA C 116 62.375 61.194 1.181 1
1 1421 . 5 1 1 A 116 116 VAL HA H 116 3.870 4.500 -0.630 1
1 1422 . 5 1 1 A 116 116 VAL CB C 116 32.564 32.906 -0.342 1
1 1432 . 5 1 1 A 116 116 VAL C C 116 175.674 174.476 1.198 1
1 1433 . 5 1 1 A 117 117 GLN N N 117 127.278 124.111 3.167 1
1 1434 . 5 1 1 A 117 117 GLN H H 117 8.612 8.945 -0.333 1
1 1435 . 5 1 1 A 117 117 GLN CA C 117 55.004 53.846 1.158 1
1 1436 . 5 1 1 A 117 117 GLN HA H 117 5.170 5.411 -0.241 1
1 1437 . 5 1 1 A 117 117 GLN CB C 117 31.166 31.868 -0.702 1
1 1444 . 5 1 1 A 117 117 GLN C C 117 174.229 174.308 -0.079 1
1 1447 . 5 1 1 A 118 118 GLU N N 118 125.633 123.136 2.497 1
1 1448 . 5 1 1 A 118 118 GLU H H 118 8.960 9.175 -0.215 1
1 1449 . 5 1 1 A 118 118 GLU CA C 118 54.799 54.891 -0.092 1
1 1450 . 5 1 1 A 118 118 GLU HA H 118 4.869 5.005 -0.136 1
1 1451 . 5 1 1 A 118 118 GLU CB C 118 33.675 31.833 1.842 1
1 1455 . 5 1 1 A 118 118 GLU C C 118 174.340 175.424 -1.084 1
1 1458 . 5 1 1 A 119 119 ILE N N 119 123.525 125.752 -2.227 1
1 1459 . 5 1 1 A 119 119 ILE H H 119 8.683 8.891 -0.208 1
1 1460 . 5 1 1 A 119 119 ILE CA C 119 60.005 59.947 0.058 1
1 1461 . 5 1 1 A 119 119 ILE HA H 119 5.157 4.599 0.558 1
1 1462 . 5 1 1 A 119 119 ILE CB C 119 40.761 38.449 2.312 1
1 1474 . 5 1 1 A 119 119 ILE C C 119 175.386 175.099 0.287 1
1 1476 . 5 1 1 A 120 120 PHE N N 120 122.954 123.775 -0.821 1
1 1477 . 5 1 1 A 120 120 PHE H H 120 8.647 8.264 0.383 1
1 1478 . 5 1 1 A 120 120 PHE CA C 120 55.754 55.303 0.451 1
1 1479 . 5 1 1 A 120 120 PHE HA H 120 5.064 5.378 -0.314 1
1 1480 . 5 1 1 A 120 120 PHE CB C 120 39.904 42.412 -2.508 1
1 1492 . 5 1 1 A 120 120 PHE C C 120 172.536 172.416 0.120 1
1 1494 . 5 1 1 A 121 121 GLU N N 121 120.205 119.498 0.707 1
1 1495 . 5 1 1 A 121 121 GLU H H 121 8.807 8.703 0.104 1
1 1496 . 5 1 1 A 121 121 GLU CA C 121 54.976 55.350 -0.374 1
1 1497 . 5 1 1 A 121 121 GLU HA H 121 4.795 5.038 -0.243 1
1 1498 . 5 1 1 A 121 121 GLU CB C 121 31.537 32.606 -1.069 1
1 1502 . 5 1 1 A 121 121 GLU C C 121 175.979 175.970 0.009 1
1 1505 . 5 1 1 A 122 122 VAL N N 122 124.567 125.103 -0.536 1
1 1506 . 5 1 1 A 122 122 VAL H H 122 8.818 8.866 -0.048 1
1 1507 . 5 1 1 A 122 122 VAL CA C 122 62.536 63.872 -1.336 1
1 1508 . 5 1 1 A 122 122 VAL HA H 122 4.300 4.129 0.171 1
1 1509 . 5 1 1 A 122 122 VAL CB C 122 32.136 32.391 -0.255 1
1 1519 . 5 1 1 A 122 122 VAL C C 122 175.324 177.127 -1.803 1
1 1520 . 5 1 1 A 123 123 ASN N N 123 125.013 119.978 5.035 1
1 1521 . 5 1 1 A 123 123 ASN H H 123 8.770 8.728 0.042 1
1 1522 . 5 1 1 A 123 123 ASN CA C 123 52.889 52.327 0.562 1
1 1523 . 5 1 1 A 123 123 ASN HA H 123 5.072 5.172 -0.100 1
1 1524 . 5 1 1 A 123 123 ASN CB C 123 40.114 40.229 -0.115 1
1 1529 . 5 1 1 A 123 123 ASN C C 123 174.799 176.001 -1.202 1
1 1531 . 5 1 1 A 124 124 ASN N N 124 117.247 116.917 0.330 1
1 1532 . 5 1 1 A 124 124 ASN H H 124 8.599 8.137 0.462 1
1 1533 . 5 1 1 A 124 124 ASN CA C 124 52.853 52.806 0.047 1
1 1534 . 5 1 1 A 124 124 ASN HA H 124 4.721 4.953 -0.232 1
1 1535 . 5 1 1 A 124 124 ASN CB C 124 36.882 38.851 -1.969 1
1 1540 . 5 1 1 A 124 124 ASN C C 124 174.437 174.716 -0.279 1
1 1542 . 5 1 1 A 125 125 LEU N N 125 119.273 121.679 -2.406 1
1 1543 . 5 1 1 A 125 125 LEU H H 125 8.105 7.365 0.740 1
1 1544 . 5 1 1 A 125 125 LEU CA C 125 53.787 53.596 0.191 1
1 1545 . 5 1 1 A 125 125 LEU HA H 125 4.187 4.409 -0.222 1
1 1546 . 5 1 1 A 125 125 LEU CB C 125 40.398 41.561 -1.163 1
1 1558 . 5 1 1 A 125 125 LEU C C 125 175.528 174.702 0.826 1
1 1560 . 5 1 1 A 126 126 PRO CA C 126 62.439 62.677 -0.238 1
1 1561 . 5 1 1 A 126 126 PRO HA H 126 4.519 4.497 0.022 1
1 1562 . 5 1 1 A 126 126 PRO CB C 126 31.210 31.804 -0.594 1
1 1568 . 5 1 1 A 126 126 PRO C C 126 179.073 177.434 1.639 1
1 1572 . 5 1 1 A 127 127 VAL N N 127 124.759 123.765 0.994 1
1 1573 . 5 1 1 A 127 127 VAL H H 127 8.794 8.447 0.347 1
1 1574 . 5 1 1 A 127 127 VAL CA C 127 64.360 64.889 -0.529 1
1 1575 . 5 1 1 A 127 127 VAL HA H 127 3.216 3.656 -0.440 1
1 1576 . 5 1 1 A 127 127 VAL CB C 127 30.825 31.318 -0.493 1
1 1586 . 5 1 1 A 127 127 VAL C C 127 176.789 176.865 -0.076 1
1 1587 . 5 1 1 A 128 128 GLU N N 128 119.892 121.754 -1.862 1
1 1588 . 5 1 1 A 128 128 GLU H H 128 9.460 8.140 1.320 1
1 1589 . 5 1 1 A 128 128 GLU CA C 128 59.216 58.923 0.293 1
1 1590 . 5 1 1 A 128 128 GLU HA H 128 3.831 3.728 0.103 1
1 1591 . 5 1 1 A 128 128 GLU CB C 128 29.188 29.126 0.062 1
1 1595 . 5 1 1 A 128 128 GLU C C 128 177.624 178.633 -1.009 1
1 1598 . 5 1 1 A 129 129 SER N N 129 112.727 114.315 -1.588 1
1 1599 . 5 1 1 A 129 129 SER H H 129 8.057 7.537 0.520 1
1 1600 . 5 1 1 A 129 129 SER CA C 129 61.024 60.991 0.033 1
1 1601 . 5 1 1 A 129 129 SER HA H 129 3.925 4.159 -0.234 1
1 1602 . 5 1 1 A 129 129 SER CB C 129 64.440 62.681 1.759 1
1 1604 . 5 1 1 A 129 129 SER C C 129 173.147 175.701 -2.554 1
1 1606 . 5 1 1 A 130 130 TRP N N 130 117.092 118.015 -0.923 1
1 1607 . 5 1 1 A 130 130 TRP H H 130 7.184 7.421 -0.237 1
1 1608 . 5 1 1 A 130 130 TRP CA C 130 57.027 58.302 -1.275 1
1 1609 . 5 1 1 A 130 130 TRP HA H 130 4.974 4.850 0.124 1
1 1610 . 5 1 1 A 130 130 TRP CB C 130 31.384 30.831 0.553 1
1 1624 . 5 1 1 A 130 130 TRP C C 130 174.759 177.021 -2.262 1
1 1 . 6 1 1 A 6 6 SER CA C 6 58.371 57.021 1.350 1
1 2 . 6 1 1 A 6 6 SER HA H 6 4.533 5.394 -0.861 1
1 3 . 6 1 1 A 6 6 SER CB C 6 63.994 66.408 -2.414 1
1 5 . 6 1 1 A 6 6 SER C C 6 174.472 174.148 0.324 1
1 7 . 6 1 1 A 7 7 GLY N N 7 110.741 109.926 0.815 1
1 8 . 6 1 1 A 7 7 GLY H H 7 8.209 8.591 -0.382 1
1 9 . 6 1 1 A 7 7 GLY CA C 7 44.501 44.898 -0.397 1
1 10 . 6 1 1 A 7 7 GLY HA3 H 7 4.059 4.194 -0.135 1
1 11 . 6 1 1 A 7 7 GLY C C 7 171.084 172.173 -1.089 1
1 12 . 6 1 1 A 7 7 GLY HA2 H 7 4.155 4.193 -0.038 1
1 13 . 6 1 1 A 8 8 PRO CA C 8 61.515 62.222 -0.707 1
1 14 . 6 1 1 A 8 8 PRO HA H 8 4.713 4.616 0.097 1
1 15 . 6 1 1 A 8 8 PRO CB C 8 30.760 31.876 -1.116 1
1 24 . 6 1 1 A 9 9 PRO HA H 9 4.724 4.588 0.136 1
1 30 . 6 1 1 A 10 10 PRO CA C 10 62.761 62.460 0.301 1
1 31 . 6 1 1 A 10 10 PRO HA H 10 4.389 4.672 -0.283 1
1 32 . 6 1 1 A 10 10 PRO CB C 10 32.082 33.175 -1.093 1
1 37 . 6 1 1 A 10 10 PRO C C 10 176.236 175.330 0.906 1
1 41 . 6 1 1 A 11 11 ALA N N 11 125.926 121.380 4.546 1
1 42 . 6 1 1 A 11 11 ALA H H 11 8.352 8.216 0.136 1
1 43 . 6 1 1 A 11 11 ALA CA C 11 50.343 49.313 1.030 1
1 44 . 6 1 1 A 11 11 ALA HA H 11 4.583 4.809 -0.226 1
1 45 . 6 1 1 A 11 11 ALA CB C 11 18.255 20.252 -1.997 1
1 49 . 6 1 1 A 11 11 ALA C C 11 175.479 175.166 0.313 1
1 50 . 6 1 1 A 12 12 PRO CA C 12 62.757 62.218 0.539 1
1 51 . 6 1 1 A 12 12 PRO HA H 12 4.386 4.658 -0.272 1
1 52 . 6 1 1 A 12 12 PRO CB C 12 32.104 33.259 -1.155 1
1 57 . 6 1 1 A 12 12 PRO C C 12 176.478 175.348 1.130 1
1 61 . 6 1 1 A 13 13 ILE N N 13 124.607 121.147 3.460 1
1 62 . 6 1 1 A 13 13 ILE H H 13 8.661 8.357 0.304 1
1 63 . 6 1 1 A 13 13 ILE CA C 13 59.081 58.042 1.039 1
1 64 . 6 1 1 A 13 13 ILE HA H 13 4.288 4.513 -0.225 1
1 65 . 6 1 1 A 13 13 ILE CB C 13 39.710 39.339 0.371 1
1 77 . 6 1 1 A 13 13 ILE C C 13 174.727 174.458 0.269 1
1 79 . 6 1 1 A 14 14 PRO CA C 14 63.433 62.401 1.032 1
1 80 . 6 1 1 A 14 14 PRO HA H 14 4.457 4.542 -0.085 1
1 81 . 6 1 1 A 14 14 PRO CB C 14 32.428 32.334 0.094 1
1 86 . 6 1 1 A 14 14 PRO C C 14 175.380 176.452 -1.072 1
1 90 . 6 1 1 A 15 15 ASP N N 15 118.741 121.588 -2.847 1
1 91 . 6 1 1 A 15 15 ASP H H 15 8.042 8.527 -0.485 1
1 92 . 6 1 1 A 15 15 ASP CA C 15 54.213 54.901 -0.688 1
1 93 . 6 1 1 A 15 15 ASP HA H 15 5.064 4.931 0.133 1
1 94 . 6 1 1 A 15 15 ASP CB C 15 41.793 41.663 0.130 1
1 96 . 6 1 1 A 15 15 ASP C C 15 176.413 175.741 0.672 1
1 98 . 6 1 1 A 16 16 LEU N N 16 121.451 122.960 -1.509 1
1 99 . 6 1 1 A 16 16 LEU H H 16 9.016 8.493 0.523 1
1 100 . 6 1 1 A 16 16 LEU CA C 16 53.914 54.252 -0.338 1
1 101 . 6 1 1 A 16 16 LEU HA H 16 4.847 4.932 -0.085 1
1 102 . 6 1 1 A 16 16 LEU CB C 16 48.283 45.992 2.291 1
1 114 . 6 1 1 A 16 16 LEU C C 16 174.915 173.727 1.188 1
1 116 . 6 1 1 A 17 17 LYS N N 17 130.346 127.439 2.907 1
1 117 . 6 1 1 A 17 17 LYS H H 17 8.937 8.909 0.028 1
1 118 . 6 1 1 A 17 17 LYS CA C 17 57.027 56.737 0.290 1
1 119 . 6 1 1 A 17 17 LYS HA H 17 4.821 4.433 0.388 1
1 120 . 6 1 1 A 17 17 LYS CB C 17 31.991 33.331 -1.340 1
1 128 . 6 1 1 A 17 17 LYS C C 17 177.744 176.469 1.275 1
1 133 . 6 1 1 A 18 18 VAL N N 18 116.605 121.572 -4.967 1
1 134 . 6 1 1 A 18 18 VAL H H 18 8.228 8.576 -0.348 1
1 135 . 6 1 1 A 18 18 VAL CA C 18 60.586 61.962 -1.376 1
1 136 . 6 1 1 A 18 18 VAL HA H 18 4.807 4.430 0.377 1
1 137 . 6 1 1 A 18 18 VAL CB C 18 33.601 33.856 -0.255 1
1 147 . 6 1 1 A 18 18 VAL C C 18 174.118 175.468 -1.350 1
1 148 . 6 1 1 A 19 19 PHE N N 19 120.586 121.960 -1.374 1
1 149 . 6 1 1 A 19 19 PHE H H 19 7.429 7.188 0.241 1
1 150 . 6 1 1 A 19 19 PHE CA C 19 57.947 57.115 0.832 1
1 151 . 6 1 1 A 19 19 PHE HA H 19 4.544 4.524 0.020 1
1 152 . 6 1 1 A 19 19 PHE CB C 19 43.455 42.349 1.106 1
1 162 . 6 1 1 A 19 19 PHE C C 19 172.947 172.869 0.078 1
1 164 . 6 1 1 A 20 20 GLU N N 20 126.790 127.312 -0.522 1
1 165 . 6 1 1 A 20 20 GLU H H 20 7.620 8.174 -0.554 1
1 166 . 6 1 1 A 20 20 GLU CA C 20 55.117 55.240 -0.123 1
1 167 . 6 1 1 A 20 20 GLU HA H 20 5.059 5.059 0.000 1
1 168 . 6 1 1 A 20 20 GLU CB C 20 32.091 32.761 -0.670 1
1 172 . 6 1 1 A 20 20 GLU C C 20 174.073 174.353 -0.280 1
1 175 . 6 1 1 A 21 21 ARG N N 21 125.153 126.373 -1.220 1
1 176 . 6 1 1 A 21 21 ARG H H 21 8.806 9.301 -0.495 1
1 177 . 6 1 1 A 21 21 ARG CA C 21 56.532 53.992 2.540 1
1 178 . 6 1 1 A 21 21 ARG HA H 21 4.234 5.019 -0.785 1
1 179 . 6 1 1 A 21 21 ARG CB C 21 33.707 33.892 -0.185 1
1 185 . 6 1 1 A 21 21 ARG C C 21 176.293 176.767 -0.474 1
1 189 . 6 1 1 A 22 22 GLU N N 22 132.286 124.075 8.211 1
1 190 . 6 1 1 A 22 22 GLU H H 22 9.887 8.966 0.921 1
1 191 . 6 1 1 A 22 22 GLU CA C 22 57.271 59.088 -1.817 1
1 192 . 6 1 1 A 22 22 GLU HA H 22 3.968 4.069 -0.101 1
1 193 . 6 1 1 A 22 22 GLU CB C 22 28.595 29.414 -0.819 1
1 197 . 6 1 1 A 22 22 GLU C C 22 175.219 177.255 -2.036 1
1 200 . 6 1 1 A 23 23 GLY N N 23 103.445 108.278 -4.833 1
1 201 . 6 1 1 A 23 23 GLY H H 23 8.570 8.060 0.510 1
1 202 . 6 1 1 A 23 23 GLY CA C 23 45.698 45.809 -0.111 1
1 203 . 6 1 1 A 23 23 GLY HA3 H 23 4.242 4.308 -0.066 1
1 204 . 6 1 1 A 23 23 GLY C C 23 173.517 174.152 -0.635 1
1 205 . 6 1 1 A 23 23 GLY HA2 H 23 3.658 4.303 -0.645 1
1 206 . 6 1 1 A 24 24 VAL N N 24 124.489 120.231 4.258 1
1 207 . 6 1 1 A 24 24 VAL H H 24 8.016 7.680 0.336 1
1 208 . 6 1 1 A 24 24 VAL CA C 24 61.341 62.742 -1.401 1
1 209 . 6 1 1 A 24 24 VAL HA H 24 4.780 4.107 0.673 1
1 210 . 6 1 1 A 24 24 VAL CB C 24 32.051 32.465 -0.414 1
1 220 . 6 1 1 A 24 24 VAL C C 24 175.459 175.260 0.199 1
1 221 . 6 1 1 A 25 25 GLN N N 25 123.296 127.163 -3.867 1
1 222 . 6 1 1 A 25 25 GLN H H 25 8.446 8.876 -0.430 1
1 223 . 6 1 1 A 25 25 GLN CA C 25 53.879 54.480 -0.601 1
1 224 . 6 1 1 A 25 25 GLN HA H 25 5.378 5.170 0.208 1
1 225 . 6 1 1 A 25 25 GLN CB C 25 33.065 31.862 1.203 1
1 232 . 6 1 1 A 25 25 GLN C C 25 174.348 173.902 0.446 1
1 235 . 6 1 1 A 26 26 LEU N N 26 120.847 126.768 -5.921 1
1 236 . 6 1 1 A 26 26 LEU H H 26 8.579 9.098 -0.519 1
1 237 . 6 1 1 A 26 26 LEU CA C 26 53.914 53.472 0.442 1
1 238 . 6 1 1 A 26 26 LEU HA H 26 5.400 5.174 0.226 1
1 239 . 6 1 1 A 26 26 LEU CB C 26 47.336 45.485 1.851 1
1 251 . 6 1 1 A 26 26 LEU C C 26 174.842 174.762 0.080 1
1 253 . 6 1 1 A 27 27 ASN N N 27 124.346 124.736 -0.390 1
1 254 . 6 1 1 A 27 27 ASN H H 27 8.738 8.628 0.110 1
1 255 . 6 1 1 A 27 27 ASN CA C 27 52.063 51.823 0.240 1
1 256 . 6 1 1 A 27 27 ASN HA H 27 5.542 5.315 0.227 1
1 257 . 6 1 1 A 27 27 ASN CB C 27 43.866 41.660 2.206 1
1 262 . 6 1 1 A 27 27 ASN C C 27 173.520 174.167 -0.647 1
1 264 . 6 1 1 A 28 28 LEU N N 28 124.198 123.913 0.285 1
1 265 . 6 1 1 A 28 28 LEU H H 28 9.406 8.628 0.778 1
1 266 . 6 1 1 A 28 28 LEU CA C 28 53.773 53.591 0.182 1
1 267 . 6 1 1 A 28 28 LEU HA H 28 4.995 5.032 -0.037 1
1 268 . 6 1 1 A 28 28 LEU CB C 28 44.307 46.718 -2.411 1
1 280 . 6 1 1 A 28 28 LEU C C 28 174.670 174.167 0.503 1
1 282 . 6 1 1 A 29 29 SER N N 29 115.017 118.676 -3.659 1
1 283 . 6 1 1 A 29 29 SER H H 29 8.314 8.137 0.177 1
1 284 . 6 1 1 A 29 29 SER CA C 29 56.340 56.541 -0.201 1
1 285 . 6 1 1 A 29 29 SER HA H 29 4.807 5.112 -0.305 1
1 286 . 6 1 1 A 29 29 SER CB C 29 65.926 65.463 0.463 1
1 288 . 6 1 1 A 29 29 SER C C 29 172.842 172.817 0.025 1
1 290 . 6 1 1 A 30 30 PHE N N 30 119.941 122.949 -3.008 1
1 291 . 6 1 1 A 30 30 PHE H H 30 9.366 8.758 0.608 1
1 292 . 6 1 1 A 30 30 PHE CA C 30 57.047 56.101 0.946 1
1 293 . 6 1 1 A 30 30 PHE HA H 30 5.374 5.303 0.071 1
1 294 . 6 1 1 A 30 30 PHE CB C 30 44.307 42.138 2.169 1
1 306 . 6 1 1 A 30 30 PHE C C 30 175.242 175.282 -0.040 1
1 308 . 6 1 1 A 31 31 ILE N N 31 122.161 121.446 0.715 1
1 309 . 6 1 1 A 31 31 ILE H H 31 8.950 8.821 0.129 1
1 310 . 6 1 1 A 31 31 ILE CA C 31 60.680 59.965 0.715 1
1 311 . 6 1 1 A 31 31 ILE HA H 31 4.338 4.897 -0.559 1
1 312 . 6 1 1 A 31 31 ILE CB C 31 42.354 41.604 0.750 1
1 324 . 6 1 1 A 31 31 ILE C C 31 174.368 175.291 -0.923 1
1 326 . 6 1 1 A 32 32 ARG N N 32 128.976 126.909 2.067 1
1 327 . 6 1 1 A 32 32 ARG H H 32 8.773 8.877 -0.104 1
1 328 . 6 1 1 A 32 32 ARG CA C 32 51.444 53.072 -1.628 1
1 329 . 6 1 1 A 32 32 ARG HA H 32 5.263 4.914 0.349 1
1 330 . 6 1 1 A 32 32 ARG CB C 32 29.600 31.301 -1.701 1
1 338 . 6 1 1 A 32 32 ARG C C 32 173.585 173.618 -0.033 1
1 342 . 6 1 1 A 33 33 PRO CA C 33 60.759 61.906 -1.147 1
1 343 . 6 1 1 A 33 33 PRO HA H 33 4.581 4.652 -0.071 1
1 344 . 6 1 1 A 33 33 PRO CB C 33 32.219 32.661 -0.442 1
1 353 . 6 1 1 A 34 34 PRO CA C 34 64.464 65.273 -0.809 1
1 354 . 6 1 1 A 34 34 PRO HA H 34 4.236 4.225 0.011 1
1 355 . 6 1 1 A 34 34 PRO CB C 34 31.997 31.975 0.022 1
1 361 . 6 1 1 A 34 34 PRO C C 34 178.240 178.541 -0.301 1
1 365 . 6 1 1 A 35 35 GLU N N 35 115.025 116.149 -1.124 1
1 366 . 6 1 1 A 35 35 GLU H H 35 9.287 8.866 0.421 1
1 367 . 6 1 1 A 35 35 GLU CA C 35 57.753 58.803 -1.050 1
1 368 . 6 1 1 A 35 35 GLU HA H 35 4.205 4.143 0.062 1
1 369 . 6 1 1 A 35 35 GLU CB C 35 28.595 28.813 -0.218 1
1 373 . 6 1 1 A 35 35 GLU C C 35 176.471 176.514 -0.043 1
1 376 . 6 1 1 A 36 36 ASN N N 36 114.302 118.551 -4.249 1
1 377 . 6 1 1 A 36 36 ASN H H 36 7.257 7.960 -0.703 1
1 378 . 6 1 1 A 36 36 ASN CA C 36 50.593 49.822 0.771 1
1 379 . 6 1 1 A 36 36 ASN HA H 36 5.024 5.055 -0.031 1
1 380 . 6 1 1 A 36 36 ASN CB C 36 39.094 39.825 -0.731 1
1 385 . 6 1 1 A 36 36 ASN C C 36 172.128 173.661 -1.533 1
1 387 . 6 1 1 A 37 37 PRO CA C 37 64.287 65.233 -0.946 1
1 388 . 6 1 1 A 37 37 PRO HA H 37 4.600 4.294 0.306 1
1 389 . 6 1 1 A 37 37 PRO CB C 37 32.235 32.012 0.223 1
1 394 . 6 1 1 A 37 37 PRO C C 37 176.707 178.336 -1.629 1
1 398 . 6 1 1 A 38 38 ALA N N 38 117.780 118.443 -0.663 1
1 399 . 6 1 1 A 38 38 ALA H H 38 7.596 8.125 -0.529 1
1 400 . 6 1 1 A 38 38 ALA CA C 38 52.674 53.339 -0.665 1
1 401 . 6 1 1 A 38 38 ALA HA H 38 4.262 4.241 0.021 1
1 402 . 6 1 1 A 38 38 ALA CB C 38 19.201 18.827 0.374 1
1 406 . 6 1 1 A 38 38 ALA C C 38 176.546 176.977 -0.431 1
1 407 . 6 1 1 A 39 39 LEU N N 39 122.870 121.010 1.860 1
1 408 . 6 1 1 A 39 39 LEU H H 39 7.963 7.459 0.504 1
1 409 . 6 1 1 A 39 39 LEU CA C 39 54.548 53.995 0.553 1
1 410 . 6 1 1 A 39 39 LEU HA H 39 4.953 4.939 0.014 1
1 411 . 6 1 1 A 39 39 LEU CB C 39 44.768 44.289 0.479 1
1 423 . 6 1 1 A 39 39 LEU C C 39 173.627 175.326 -1.699 1
1 425 . 6 1 1 A 40 40 LEU N N 40 125.985 128.744 -2.759 1
1 426 . 6 1 1 A 40 40 LEU H H 40 9.247 9.023 0.224 1
1 427 . 6 1 1 A 40 40 LEU CA C 40 53.914 53.551 0.363 1
1 428 . 6 1 1 A 40 40 LEU HA H 40 5.018 5.163 -0.145 1
1 429 . 6 1 1 A 40 40 LEU CB C 40 45.014 44.739 0.275 1
1 441 . 6 1 1 A 40 40 LEU C C 40 174.170 174.785 -0.615 1
1 443 . 6 1 1 A 41 41 LEU N N 41 125.906 128.978 -3.072 1
1 444 . 6 1 1 A 41 41 LEU H H 41 9.224 8.974 0.250 1
1 445 . 6 1 1 A 41 41 LEU CA C 41 53.190 53.863 -0.673 1
1 446 . 6 1 1 A 41 41 LEU HA H 41 5.222 5.072 0.150 1
1 447 . 6 1 1 A 41 41 LEU CB C 41 42.034 42.159 -0.125 1
1 459 . 6 1 1 A 41 41 LEU C C 41 177.109 176.042 1.067 1
1 461 . 6 1 1 A 42 42 ILE N N 42 124.731 125.566 -0.835 1
1 462 . 6 1 1 A 42 42 ILE H H 42 9.087 8.937 0.150 1
1 463 . 6 1 1 A 42 42 ILE CA C 42 59.794 59.866 -0.072 1
1 464 . 6 1 1 A 42 42 ILE HA H 42 5.055 5.052 0.003 1
1 465 . 6 1 1 A 42 42 ILE CB C 42 41.019 41.062 -0.043 1
1 477 . 6 1 1 A 42 42 ILE C C 42 175.074 175.008 0.066 1
1 479 . 6 1 1 A 43 43 THR N N 43 123.315 119.274 4.041 1
1 480 . 6 1 1 A 43 43 THR H H 43 8.589 8.641 -0.052 1
1 481 . 6 1 1 A 43 43 THR CA C 43 61.677 61.317 0.360 1
1 482 . 6 1 1 A 43 43 THR HA H 43 5.023 5.450 -0.427 1
1 483 . 6 1 1 A 43 43 THR CB C 43 69.838 72.892 -3.054 1
1 489 . 6 1 1 A 43 43 THR C C 43 174.993 173.518 1.475 1
1 490 . 6 1 1 A 44 44 ILE N N 44 126.677 124.092 2.585 1
1 491 . 6 1 1 A 44 44 ILE H H 44 9.329 8.990 0.339 1
1 492 . 6 1 1 A 44 44 ILE CA C 44 59.794 59.685 0.109 1
1 493 . 6 1 1 A 44 44 ILE HA H 44 4.953 5.045 -0.092 1
1 494 . 6 1 1 A 44 44 ILE CB C 44 38.754 41.225 -2.471 1
1 506 . 6 1 1 A 44 44 ILE C C 44 174.670 175.345 -0.675 1
1 508 . 6 1 1 A 45 45 THR N N 45 120.442 122.184 -1.742 1
1 509 . 6 1 1 A 45 45 THR H H 45 8.740 8.703 0.037 1
1 510 . 6 1 1 A 45 45 THR CA C 45 61.579 61.508 0.071 1
1 511 . 6 1 1 A 45 45 THR HA H 45 5.266 4.809 0.457 1
1 512 . 6 1 1 A 45 45 THR CB C 45 70.338 70.556 -0.218 1
1 518 . 6 1 1 A 45 45 THR C C 45 174.494 173.209 1.285 1
1 519 . 6 1 1 A 46 46 ALA N N 46 134.267 130.013 4.254 1
1 520 . 6 1 1 A 46 46 ALA H H 46 9.489 8.332 1.157 1
1 521 . 6 1 1 A 46 46 ALA CA C 46 49.846 50.681 -0.835 1
1 522 . 6 1 1 A 46 46 ALA HA H 46 5.554 4.651 0.903 1
1 523 . 6 1 1 A 46 46 ALA CB C 46 20.414 19.813 0.601 1
1 527 . 6 1 1 A 46 46 ALA C C 46 174.819 176.873 -2.054 1
1 528 . 6 1 1 A 47 47 THR N N 47 111.611 115.031 -3.420 1
1 529 . 6 1 1 A 47 47 THR H H 47 8.431 8.547 -0.116 1
1 530 . 6 1 1 A 47 47 THR CA C 47 59.331 59.543 -0.212 1
1 531 . 6 1 1 A 47 47 THR HA H 47 4.409 5.000 -0.591 1
1 532 . 6 1 1 A 47 47 THR CB C 47 71.655 70.523 1.132 1
1 538 . 6 1 1 A 47 47 THR C C 47 173.104 172.651 0.453 1
1 539 . 6 1 1 A 48 48 ASN N N 48 117.087 122.090 -5.003 1
1 540 . 6 1 1 A 48 48 ASN H H 48 8.647 8.364 0.283 1
1 541 . 6 1 1 A 48 48 ASN CA C 48 51.019 51.644 -0.625 1
1 542 . 6 1 1 A 48 48 ASN HA H 48 5.096 5.230 -0.134 1
1 543 . 6 1 1 A 48 48 ASN CB C 48 39.880 41.645 -1.765 1
1 548 . 6 1 1 A 48 48 ASN C C 48 173.769 174.190 -0.421 1
1 550 . 6 1 1 A 49 49 PHE N N 49 123.238 122.963 0.275 1
1 551 . 6 1 1 A 49 49 PHE H H 49 9.105 8.513 0.592 1
1 552 . 6 1 1 A 49 49 PHE CA C 49 57.422 58.563 -1.141 1
1 553 . 6 1 1 A 49 49 PHE HA H 49 4.601 4.706 -0.105 1
1 554 . 6 1 1 A 49 49 PHE CB C 49 38.770 40.816 -2.046 1
1 566 . 6 1 1 A 49 49 PHE C C 49 176.238 175.484 0.754 1
1 568 . 6 1 1 A 50 50 SER N N 50 118.477 113.998 4.479 1
1 569 . 6 1 1 A 50 50 SER H H 50 8.344 7.675 0.669 1
1 570 . 6 1 1 A 50 50 SER CA C 50 58.654 58.431 0.223 1
1 571 . 6 1 1 A 50 50 SER HA H 50 4.933 4.504 0.429 1
1 572 . 6 1 1 A 50 50 SER CB C 50 66.611 64.645 1.966 1
1 573 . 6 1 1 A 50 50 SER C C 50 173.089 175.303 -2.214 1
1 574 . 6 1 1 A 51 51 GLU N N 51 114.036 118.622 -4.586 1
1 575 . 6 1 1 A 51 51 GLU H H 51 9.051 9.211 -0.160 1
1 576 . 6 1 1 A 51 51 GLU CA C 51 56.701 56.074 0.627 1
1 577 . 6 1 1 A 51 51 GLU HA H 51 4.358 4.488 -0.130 1
1 578 . 6 1 1 A 51 51 GLU CB C 51 30.323 29.252 1.071 1
1 582 . 6 1 1 A 51 51 GLU C C 51 175.603 176.025 -0.422 1
1 585 . 6 1 1 A 52 52 GLY N N 52 109.625 109.055 0.570 1
1 586 . 6 1 1 A 52 52 GLY H H 52 8.525 7.663 0.862 1
1 587 . 6 1 1 A 52 52 GLY CA C 52 44.267 44.151 0.116 1
1 588 . 6 1 1 A 52 52 GLY HA3 H 52 4.505 3.525 0.980 1
1 589 . 6 1 1 A 52 52 GLY C C 52 173.168 173.049 0.119 1
1 590 . 6 1 1 A 52 52 GLY HA2 H 52 2.842 2.570 0.272 1
1 591 . 6 1 1 A 53 53 ASP N N 53 125.175 124.614 0.561 1
1 592 . 6 1 1 A 53 53 ASP H H 53 9.001 8.617 0.384 1
1 593 . 6 1 1 A 53 53 ASP CA C 53 55.793 54.480 1.313 1
1 594 . 6 1 1 A 53 53 ASP HA H 53 4.082 4.501 -0.419 1
1 595 . 6 1 1 A 53 53 ASP CB C 53 40.522 40.988 -0.466 1
1 597 . 6 1 1 A 53 53 ASP C C 53 176.506 175.917 0.589 1
1 599 . 6 1 1 A 54 54 VAL N N 54 125.250 123.815 1.435 1
1 600 . 6 1 1 A 54 54 VAL H H 54 7.873 8.586 -0.713 1
1 601 . 6 1 1 A 54 54 VAL CA C 54 61.350 61.448 -0.098 1
1 602 . 6 1 1 A 54 54 VAL HA H 54 4.759 4.581 0.178 1
1 603 . 6 1 1 A 54 54 VAL CB C 54 32.808 32.264 0.544 1
1 613 . 6 1 1 A 54 54 VAL C C 54 176.126 175.299 0.827 1
1 614 . 6 1 1 A 55 55 THR N N 55 116.888 117.735 -0.847 1
1 615 . 6 1 1 A 55 55 THR H H 55 9.004 8.527 0.477 1
1 616 . 6 1 1 A 55 55 THR CA C 55 59.194 59.930 -0.736 1
1 617 . 6 1 1 A 55 55 THR HA H 55 4.920 4.820 0.100 1
1 618 . 6 1 1 A 55 55 THR CB C 55 72.508 71.382 1.126 1
1 624 . 6 1 1 A 55 55 THR C C 55 173.166 173.787 -0.621 1
1 625 . 6 1 1 A 56 56 HIS N N 56 115.667 116.643 -0.976 1
1 626 . 6 1 1 A 56 56 HIS H H 56 9.193 8.634 0.559 1
1 627 . 6 1 1 A 56 56 HIS CA C 56 56.363 56.889 -0.526 1
1 628 . 6 1 1 A 56 56 HIS HA H 56 4.153 4.015 0.138 1
1 629 . 6 1 1 A 56 56 HIS CB C 56 26.923 27.050 -0.127 1
1 635 . 6 1 1 A 56 56 HIS C C 56 173.611 173.849 -0.238 1
1 637 . 6 1 1 A 57 57 PHE N N 57 118.625 118.719 -0.094 1
1 638 . 6 1 1 A 57 57 PHE H H 57 8.932 8.197 0.735 1
1 639 . 6 1 1 A 57 57 PHE CA C 57 59.503 59.242 0.261 1
1 640 . 6 1 1 A 57 57 PHE HA H 57 4.819 4.539 0.280 1
1 641 . 6 1 1 A 57 57 PHE CB C 57 39.871 39.832 0.039 1
1 653 . 6 1 1 A 57 57 PHE C C 57 176.025 174.725 1.300 1
1 655 . 6 1 1 A 58 58 ILE N N 58 131.418 127.518 3.900 1
1 656 . 6 1 1 A 58 58 ILE H H 58 8.989 8.368 0.621 1
1 657 . 6 1 1 A 58 58 ILE CA C 58 61.138 59.204 1.934 1
1 658 . 6 1 1 A 58 58 ILE HA H 58 4.001 4.482 -0.481 1
1 659 . 6 1 1 A 58 58 ILE CB C 58 41.349 40.774 0.575 1
1 671 . 6 1 1 A 58 58 ILE C C 58 173.046 174.016 -0.970 1
1 673 . 6 1 1 A 59 59 CYS N N 59 126.838 127.721 -0.883 1
1 674 . 6 1 1 A 59 59 CYS H H 59 8.844 8.764 0.080 1
1 675 . 6 1 1 A 59 59 CYS CA C 59 56.902 56.890 0.012 1
1 676 . 6 1 1 A 59 59 CYS HA H 59 5.044 4.963 0.081 1
1 677 . 6 1 1 A 59 59 CYS CB C 59 28.363 29.891 -1.528 1
1 679 . 6 1 1 A 59 59 CYS C C 59 173.375 173.191 0.184 1
1 681 . 6 1 1 A 60 60 GLN N N 60 126.903 126.572 0.331 1
1 682 . 6 1 1 A 60 60 GLN H H 60 8.929 8.770 0.159 1
1 683 . 6 1 1 A 60 60 GLN CA C 60 54.162 54.260 -0.098 1
1 684 . 6 1 1 A 60 60 GLN HA H 60 4.656 5.116 -0.460 1
1 685 . 6 1 1 A 60 60 GLN CB C 60 31.991 32.688 -0.697 1
1 691 . 6 1 1 A 60 60 GLN C C 60 174.000 174.556 -0.556 1
1 694 . 6 1 1 A 61 61 ALA N N 61 124.049 121.614 2.435 1
1 695 . 6 1 1 A 61 61 ALA H H 61 8.178 8.445 -0.267 1
1 696 . 6 1 1 A 61 61 ALA CA C 61 50.160 51.031 -0.871 1
1 697 . 6 1 1 A 61 61 ALA HA H 61 5.192 5.336 -0.144 1
1 698 . 6 1 1 A 61 61 ALA CB C 61 23.419 23.944 -0.525 1
1 702 . 6 1 1 A 61 61 ALA C C 61 175.076 175.241 -0.165 1
1 703 . 6 1 1 A 62 62 ALA N N 62 121.362 121.406 -0.044 1
1 704 . 6 1 1 A 62 62 ALA H H 62 8.488 8.630 -0.142 1
1 705 . 6 1 1 A 62 62 ALA CA C 62 51.309 50.827 0.482 1
1 706 . 6 1 1 A 62 62 ALA HA H 62 4.667 5.292 -0.625 1
1 707 . 6 1 1 A 62 62 ALA CB C 62 22.617 22.951 -0.334 1
1 711 . 6 1 1 A 62 62 ALA C C 62 176.013 176.075 -0.062 1
1 712 . 6 1 1 A 63 63 VAL N N 63 113.572 115.251 -1.679 1
1 713 . 6 1 1 A 63 63 VAL H H 63 8.271 8.659 -0.388 1
1 714 . 6 1 1 A 63 63 VAL CA C 63 57.691 57.903 -0.212 1
1 715 . 6 1 1 A 63 63 VAL HA H 63 5.045 4.942 0.103 1
1 716 . 6 1 1 A 63 63 VAL CB C 63 32.968 33.915 -0.947 1
1 726 . 6 1 1 A 63 63 VAL C C 63 173.707 173.489 0.218 1
1 727 . 6 1 1 A 64 64 PRO CA C 64 62.757 62.516 0.241 1
1 728 . 6 1 1 A 64 64 PRO HA H 64 4.459 4.641 -0.182 1
1 729 . 6 1 1 A 64 64 PRO CB C 64 32.728 32.589 0.139 1
1 735 . 6 1 1 A 64 64 PRO C C 64 176.348 177.740 -1.392 1
1 739 . 6 1 1 A 65 65 LYS N N 65 118.624 123.848 -5.224 1
1 740 . 6 1 1 A 65 65 LYS H H 65 8.323 8.547 -0.224 1
1 741 . 6 1 1 A 65 65 LYS CA C 65 58.516 59.878 -1.362 1
1 742 . 6 1 1 A 65 65 LYS HA H 65 4.183 3.874 0.309 1
1 743 . 6 1 1 A 65 65 LYS CB C 65 32.320 32.140 0.180 1
1 751 . 6 1 1 A 65 65 LYS C C 65 176.595 178.900 -2.305 1
1 756 . 6 1 1 A 66 66 SER N N 66 111.762 114.404 -2.642 1
1 757 . 6 1 1 A 66 66 SER H H 66 7.779 8.059 -0.280 1
1 758 . 6 1 1 A 66 66 SER CA C 66 59.298 61.407 -2.109 1
1 759 . 6 1 1 A 66 66 SER HA H 66 4.234 4.178 0.056 1
1 760 . 6 1 1 A 66 66 SER CB C 66 62.984 63.139 -0.155 1
1 762 . 6 1 1 A 66 66 SER C C 66 174.137 173.806 0.331 1
1 764 . 6 1 1 A 67 67 LEU N N 67 124.569 119.765 4.804 1
1 765 . 6 1 1 A 67 67 LEU H H 67 8.109 8.224 -0.115 1
1 766 . 6 1 1 A 67 67 LEU CA C 67 54.940 53.155 1.785 1
1 767 . 6 1 1 A 67 67 LEU HA H 67 4.836 5.127 -0.291 1
1 768 . 6 1 1 A 67 67 LEU CB C 67 43.882 44.832 -0.950 1
1 780 . 6 1 1 A 67 67 LEU C C 67 174.925 175.169 -0.244 1
1 782 . 6 1 1 A 68 68 GLN N N 68 117.163 121.486 -4.323 1
1 783 . 6 1 1 A 68 68 GLN H H 68 8.063 8.927 -0.864 1
1 784 . 6 1 1 A 68 68 GLN CA C 68 54.829 54.726 0.103 1
1 785 . 6 1 1 A 68 68 GLN HA H 68 4.674 5.083 -0.409 1
1 786 . 6 1 1 A 68 68 GLN CB C 68 31.579 31.067 0.512 1
1 793 . 6 1 1 A 68 68 GLN C C 68 174.077 174.471 -0.394 1
1 796 . 6 1 1 A 69 69 LEU N N 69 126.046 123.921 2.125 1
1 797 . 6 1 1 A 69 69 LEU H H 69 8.676 8.730 -0.054 1
1 798 . 6 1 1 A 69 69 LEU CA C 69 54.073 53.904 0.169 1
1 799 . 6 1 1 A 69 69 LEU HA H 69 5.231 5.190 0.041 1
1 800 . 6 1 1 A 69 69 LEU CB C 69 45.602 46.427 -0.825 1
1 811 . 6 1 1 A 69 69 LEU C C 69 175.497 174.098 1.399 1
1 813 . 6 1 1 A 70 70 GLN N N 70 126.758 124.622 2.136 1
1 814 . 6 1 1 A 70 70 GLN H H 70 9.410 9.012 0.398 1
1 815 . 6 1 1 A 70 70 GLN CA C 70 54.657 54.237 0.420 1
1 816 . 6 1 1 A 70 70 GLN HA H 70 4.746 5.151 -0.405 1
1 817 . 6 1 1 A 70 70 GLN CB C 70 31.537 32.194 -0.657 1
1 824 . 6 1 1 A 70 70 GLN C C 70 174.686 173.866 0.820 1
1 827 . 6 1 1 A 71 71 LEU N N 71 126.413 127.219 -0.806 1
1 828 . 6 1 1 A 71 71 LEU H H 71 8.936 8.695 0.241 1
1 829 . 6 1 1 A 71 71 LEU CA C 71 55.294 53.769 1.525 1
1 830 . 6 1 1 A 71 71 LEU HA H 71 4.752 4.669 0.083 1
1 831 . 6 1 1 A 71 71 LEU CB C 71 43.898 43.933 -0.035 1
1 843 . 6 1 1 A 71 71 LEU C C 71 176.498 174.912 1.586 1
1 845 . 6 1 1 A 72 72 GLN N N 72 121.553 127.541 -5.988 1
1 846 . 6 1 1 A 72 72 GLN H H 72 8.100 8.026 0.074 1
1 847 . 6 1 1 A 72 72 GLN CA C 72 54.209 54.739 -0.530 1
1 848 . 6 1 1 A 72 72 GLN HA H 72 4.589 4.603 -0.014 1
1 849 . 6 1 1 A 72 72 GLN CB C 72 31.142 30.252 0.890 1
1 856 . 6 1 1 A 72 72 GLN C C 72 174.254 175.506 -1.252 1
1 859 . 6 1 1 A 73 73 ALA N N 73 124.262 127.536 -3.274 1
1 860 . 6 1 1 A 73 73 ALA H H 73 8.452 8.446 0.006 1
1 861 . 6 1 1 A 73 73 ALA CA C 73 51.211 50.707 0.504 1
1 862 . 6 1 1 A 73 73 ALA HA H 73 4.500 4.224 0.276 1
1 863 . 6 1 1 A 73 73 ALA CB C 73 17.185 18.349 -1.164 1
1 867 . 6 1 1 A 73 73 ALA C C 73 176.548 175.817 0.731 1
1 868 . 6 1 1 A 74 74 PRO CA C 74 62.160 62.390 -0.230 1
1 869 . 6 1 1 A 74 74 PRO HA H 74 4.848 4.544 0.304 1
1 870 . 6 1 1 A 74 74 PRO CB C 74 32.897 33.352 -0.455 1
1 874 . 6 1 1 A 74 74 PRO C C 74 177.266 176.295 0.971 1
1 878 . 6 1 1 A 75 75 SER N N 75 115.398 114.931 0.467 1
1 879 . 6 1 1 A 75 75 SER H H 75 9.293 8.788 0.505 1
1 880 . 6 1 1 A 75 75 SER CA C 75 61.024 59.884 1.140 1
1 881 . 6 1 1 A 75 75 SER HA H 75 4.154 4.491 -0.337 1
1 882 . 6 1 1 A 75 75 SER CB C 75 62.867 64.596 -1.729 1
1 884 . 6 1 1 A 75 75 SER C C 75 174.460 174.547 -0.087 1
1 886 . 6 1 1 A 76 76 GLY N N 76 106.233 104.956 1.277 1
1 887 . 6 1 1 A 76 76 GLY H H 76 7.208 7.270 -0.062 1
1 888 . 6 1 1 A 76 76 GLY CA C 76 44.930 46.021 -1.091 1
1 889 . 6 1 1 A 76 76 GLY HA3 H 76 4.306 4.044 0.262 1
1 890 . 6 1 1 A 76 76 GLY C C 76 171.327 172.926 -1.599 1
1 891 . 6 1 1 A 76 76 GLY HA2 H 76 4.095 4.040 0.055 1
1 892 . 6 1 1 A 77 77 ASN CA C 77 53.060 52.942 0.118 1
1 893 . 6 1 1 A 77 77 ASN HA H 77 5.001 4.954 0.047 1
1 894 . 6 1 1 A 77 77 ASN CB C 77 40.650 37.518 3.132 1
1 899 . 6 1 1 A 77 77 ASN C C 77 173.427 173.393 0.034 1
1 901 . 6 1 1 A 78 78 THR N N 78 114.705 114.600 0.105 1
1 902 . 6 1 1 A 78 78 THR H H 78 7.579 7.473 0.106 1
1 903 . 6 1 1 A 78 78 THR CA C 78 59.766 61.092 -1.326 1
1 904 . 6 1 1 A 78 78 THR HA H 78 5.174 4.933 0.241 1
1 905 . 6 1 1 A 78 78 THR CB C 78 71.855 71.835 0.020 1
1 911 . 6 1 1 A 78 78 THR C C 78 173.138 173.259 -0.121 1
1 912 . 6 1 1 A 79 79 VAL N N 79 123.606 125.825 -2.219 1
1 913 . 6 1 1 A 79 79 VAL H H 79 8.696 9.201 -0.505 1
1 914 . 6 1 1 A 79 79 VAL CA C 79 58.982 58.572 0.410 1
1 915 . 6 1 1 A 79 79 VAL HA H 79 4.495 4.427 0.068 1
1 916 . 6 1 1 A 79 79 VAL CB C 79 32.717 35.271 -2.554 1
1 926 . 6 1 1 A 79 79 VAL C C 79 174.289 173.852 0.437 1
1 927 . 6 1 1 A 80 80 PRO CA C 80 63.184 62.772 0.412 1
1 928 . 6 1 1 A 80 80 PRO HA H 80 4.160 4.622 -0.462 1
1 929 . 6 1 1 A 80 80 PRO CB C 80 33.128 32.558 0.570 1
1 935 . 6 1 1 A 80 80 PRO C C 80 174.009 176.703 -2.694 1
1 939 . 6 1 1 A 81 81 ALA N N 81 120.000 124.547 -4.547 1
1 940 . 6 1 1 A 81 81 ALA H H 81 8.371 8.361 0.010 1
1 941 . 6 1 1 A 81 81 ALA CA C 81 51.951 52.762 -0.811 1
1 942 . 6 1 1 A 81 81 ALA HA H 81 3.715 4.297 -0.582 1
1 943 . 6 1 1 A 81 81 ALA CB C 81 20.029 19.267 0.762 1
1 947 . 6 1 1 A 81 81 ALA C C 81 176.740 177.773 -1.033 1
1 948 . 6 1 1 A 82 82 ARG N N 82 111.901 115.584 -3.683 1
1 949 . 6 1 1 A 82 82 ARG H H 82 8.724 7.782 0.942 1
1 950 . 6 1 1 A 82 82 ARG CA C 82 57.062 55.159 1.903 1
1 951 . 6 1 1 A 82 82 ARG HA H 82 3.665 4.570 -0.905 1
1 952 . 6 1 1 A 82 82 ARG CB C 82 26.959 30.072 -3.113 1
1 958 . 6 1 1 A 82 82 ARG C C 82 176.777 176.383 0.394 1
1 962 . 6 1 1 A 83 83 GLY N N 83 107.610 108.562 -0.952 1
1 963 . 6 1 1 A 83 83 GLY H H 83 9.251 7.531 1.720 1
1 964 . 6 1 1 A 83 83 GLY CA C 83 46.389 47.144 -0.755 1
1 965 . 6 1 1 A 83 83 GLY HA3 H 83 3.731 4.071 -0.340 1
1 966 . 6 1 1 A 83 83 GLY C C 83 176.193 175.134 1.059 1
1 967 . 6 1 1 A 83 83 GLY HA2 H 83 3.352 3.726 -0.374 1
1 968 . 6 1 1 A 84 84 GLY N N 84 106.030 106.594 -0.564 1
1 969 . 6 1 1 A 84 84 GLY H H 84 7.015 8.086 -1.071 1
1 970 . 6 1 1 A 84 84 GLY CA C 84 45.272 45.525 -0.253 1
1 971 . 6 1 1 A 84 84 GLY HA3 H 84 3.537 3.967 -0.430 1
1 972 . 6 1 1 A 84 84 GLY C C 84 171.651 173.552 -1.901 1
1 973 . 6 1 1 A 84 84 GLY HA2 H 84 3.891 3.942 -0.051 1
1 974 . 6 1 1 A 85 85 LEU N N 85 120.524 120.060 0.464 1
1 975 . 6 1 1 A 85 85 LEU H H 85 7.903 7.837 0.066 1
1 976 . 6 1 1 A 85 85 LEU CA C 85 53.494 51.127 2.367 1
1 977 . 6 1 1 A 85 85 LEU HA H 85 4.346 4.852 -0.506 1
1 978 . 6 1 1 A 85 85 LEU CB C 85 42.901 45.143 -2.242 1
1 990 . 6 1 1 A 85 85 LEU C C 85 174.362 174.729 -0.367 1
1 992 . 6 1 1 A 86 86 PRO CA C 86 62.752 62.095 0.657 1
1 993 . 6 1 1 A 86 86 PRO HA H 86 4.570 4.641 -0.071 1
1 994 . 6 1 1 A 86 86 PRO CB C 86 33.557 32.605 0.952 1
1 1000 . 6 1 1 A 86 86 PRO C C 86 178.338 175.600 2.738 1
1 1004 . 6 1 1 A 87 87 ILE N N 87 118.504 121.502 -2.998 1
1 1005 . 6 1 1 A 87 87 ILE H H 87 7.544 8.340 -0.796 1
1 1006 . 6 1 1 A 87 87 ILE CA C 87 60.571 60.557 0.014 1
1 1007 . 6 1 1 A 87 87 ILE HA H 87 4.021 4.614 -0.593 1
1 1008 . 6 1 1 A 87 87 ILE CB C 87 40.787 39.324 1.463 1
1 1020 . 6 1 1 A 87 87 ILE C C 87 175.620 175.821 -0.201 1
1 1022 . 6 1 1 A 88 88 THR N N 88 115.839 117.814 -1.975 1
1 1023 . 6 1 1 A 88 88 THR H H 88 8.788 9.074 -0.286 1
1 1024 . 6 1 1 A 88 88 THR CA C 88 58.935 60.113 -1.178 1
1 1025 . 6 1 1 A 88 88 THR HA H 88 5.678 5.669 0.009 1
1 1026 . 6 1 1 A 88 88 THR CB C 88 72.532 71.534 0.998 1
1 1032 . 6 1 1 A 88 88 THR C C 88 174.318 173.651 0.667 1
1 1033 . 6 1 1 A 89 89 GLN N N 89 121.295 121.251 0.044 1
1 1034 . 6 1 1 A 89 89 GLN H H 89 8.399 8.938 -0.539 1
1 1035 . 6 1 1 A 89 89 GLN CA C 89 56.259 54.206 2.053 1
1 1036 . 6 1 1 A 89 89 GLN HA H 89 4.528 4.980 -0.452 1
1 1037 . 6 1 1 A 89 89 GLN CB C 89 30.760 32.676 -1.916 1
1 1044 . 6 1 1 A 89 89 GLN C C 89 172.439 174.043 -1.604 1
1 1047 . 6 1 1 A 90 90 LEU N N 90 129.715 125.422 4.293 1
1 1048 . 6 1 1 A 90 90 LEU H H 90 8.426 8.365 0.061 1
1 1049 . 6 1 1 A 90 90 LEU CA C 90 54.513 53.612 0.901 1
1 1050 . 6 1 1 A 90 90 LEU HA H 90 5.103 4.825 0.278 1
1 1051 . 6 1 1 A 90 90 LEU CB C 90 44.412 44.552 -0.140 1
1 1063 . 6 1 1 A 90 90 LEU C C 90 175.027 174.208 0.819 1
1 1065 . 6 1 1 A 91 91 PHE N N 91 123.227 124.456 -1.229 1
1 1066 . 6 1 1 A 91 91 PHE H H 91 9.647 8.794 0.853 1
1 1067 . 6 1 1 A 91 91 PHE CA C 91 55.327 56.359 -1.032 1
1 1068 . 6 1 1 A 91 91 PHE HA H 91 5.064 5.424 -0.360 1
1 1069 . 6 1 1 A 91 91 PHE CB C 91 40.899 41.357 -0.458 1
1 1081 . 6 1 1 A 91 91 PHE C C 91 174.296 174.697 -0.401 1
1 1083 . 6 1 1 A 92 92 ARG N N 92 121.174 124.348 -3.174 1
1 1084 . 6 1 1 A 92 92 ARG H H 92 8.726 8.928 -0.202 1
1 1085 . 6 1 1 A 92 92 ARG CA C 92 55.046 56.040 -0.994 1
1 1086 . 6 1 1 A 92 92 ARG HA H 92 5.109 4.763 0.346 1
1 1087 . 6 1 1 A 92 92 ARG CB C 92 32.524 31.000 1.524 1
1 1093 . 6 1 1 A 92 92 ARG C C 92 175.154 175.104 0.050 1
1 1097 . 6 1 1 A 93 93 ILE N N 93 126.629 125.326 1.303 1
1 1098 . 6 1 1 A 93 93 ILE H H 93 9.599 8.926 0.673 1
1 1099 . 6 1 1 A 93 93 ILE CA C 93 59.538 59.984 -0.446 1
1 1100 . 6 1 1 A 93 93 ILE HA H 93 5.206 5.410 -0.204 1
1 1101 . 6 1 1 A 93 93 ILE CB C 93 40.963 41.230 -0.267 1
1 1113 . 6 1 1 A 93 93 ILE C C 93 174.400 174.726 -0.326 1
1 1115 . 6 1 1 A 94 94 LEU N N 94 127.940 126.760 1.180 1
1 1116 . 6 1 1 A 94 94 LEU H H 94 8.853 8.866 -0.013 1
1 1117 . 6 1 1 A 94 94 LEU CA C 94 53.673 53.191 0.482 1
1 1118 . 6 1 1 A 94 94 LEU HA H 94 5.152 5.218 -0.066 1
1 1119 . 6 1 1 A 94 94 LEU CB C 94 44.245 44.190 0.055 1
1 1131 . 6 1 1 A 94 94 LEU C C 94 176.106 176.081 0.025 1
1 1133 . 6 1 1 A 95 95 ASN N N 95 119.567 122.306 -2.739 1
1 1134 . 6 1 1 A 95 95 ASN H H 95 9.271 9.094 0.177 1
1 1135 . 6 1 1 A 95 95 ASN CA C 95 49.634 50.749 -1.115 1
1 1136 . 6 1 1 A 95 95 ASN HA H 95 5.361 5.269 0.092 1
1 1137 . 6 1 1 A 95 95 ASN CB C 95 39.189 39.062 0.127 1
1 1142 . 6 1 1 A 95 95 ASN C C 95 173.779 173.820 -0.041 1
1 1144 . 6 1 1 A 96 96 PRO CA C 96 64.795 64.308 0.487 1
1 1145 . 6 1 1 A 96 96 PRO HA H 96 4.306 4.544 -0.238 1
1 1146 . 6 1 1 A 96 96 PRO CB C 96 32.010 31.905 0.105 1
1 1152 . 6 1 1 A 96 96 PRO C C 96 177.656 177.484 0.172 1
1 1156 . 6 1 1 A 97 97 ASN N N 97 114.343 114.786 -0.443 1
1 1157 . 6 1 1 A 97 97 ASN H H 97 8.840 7.734 1.106 1
1 1158 . 6 1 1 A 97 97 ASN CA C 97 52.889 52.676 0.213 1
1 1159 . 6 1 1 A 97 97 ASN HA H 97 4.828 4.799 0.029 1
1 1160 . 6 1 1 A 97 97 ASN CB C 97 38.085 38.718 -0.633 1
1 1165 . 6 1 1 A 97 97 ASN C C 97 174.361 174.694 -0.333 1
1 1167 . 6 1 1 A 98 98 LYS N N 98 118.175 116.035 2.140 1
1 1168 . 6 1 1 A 98 98 LYS H H 98 7.735 7.664 0.071 1
1 1169 . 6 1 1 A 98 98 LYS CA C 98 57.625 57.230 0.395 1
1 1170 . 6 1 1 A 98 98 LYS HA H 98 3.780 3.913 -0.133 1
1 1171 . 6 1 1 A 98 98 LYS CB C 98 29.343 29.538 -0.195 1
1 1179 . 6 1 1 A 98 98 LYS C C 98 174.779 174.771 0.008 1
1 1184 . 6 1 1 A 99 99 ALA N N 99 122.321 121.064 1.257 1
1 1185 . 6 1 1 A 99 99 ALA H H 99 8.454 7.897 0.557 1
1 1186 . 6 1 1 A 99 99 ALA CA C 99 49.893 48.947 0.946 1
1 1187 . 6 1 1 A 99 99 ALA HA H 99 4.415 4.630 -0.215 1
1 1188 . 6 1 1 A 99 99 ALA CB C 99 18.125 20.405 -2.280 1
1 1192 . 6 1 1 A 99 99 ALA C C 99 175.018 175.644 -0.626 1
1 1193 . 6 1 1 A 100 100 PRO CA C 100 62.082 62.527 -0.445 1
1 1194 . 6 1 1 A 100 100 PRO CB C 100 31.068 31.465 -0.397 1
1 1203 . 6 1 1 A 101 101 LEU H H 101 5.223 8.669 -3.446 1
1 1204 . 6 1 1 A 101 101 LEU CA C 101 55.181 53.215 1.966 1
1 1205 . 6 1 1 A 101 101 LEU HA H 101 3.758 4.869 -1.111 1
1 1206 . 6 1 1 A 101 101 LEU CB C 101 43.103 45.504 -2.401 1
1 1218 . 6 1 1 A 101 101 LEU C C 101 174.350 176.111 -1.761 1
1 1220 . 6 1 1 A 102 102 ARG N N 102 122.304 118.489 3.815 1
1 1221 . 6 1 1 A 102 102 ARG H H 102 6.412 8.456 -2.044 1
1 1222 . 6 1 1 A 102 102 ARG CA C 102 54.659 54.809 -0.150 1
1 1223 . 6 1 1 A 102 102 ARG HA H 102 4.500 4.946 -0.446 1
1 1224 . 6 1 1 A 102 102 ARG CB C 102 33.168 32.016 1.152 1
1 1230 . 6 1 1 A 102 102 ARG C C 102 173.625 174.511 -0.886 1
1 1234 . 6 1 1 A 103 103 LEU N N 103 119.849 121.445 -1.596 1
1 1235 . 6 1 1 A 103 103 LEU H H 103 8.301 8.788 -0.487 1
1 1236 . 6 1 1 A 103 103 LEU CA C 103 53.667 54.001 -0.334 1
1 1237 . 6 1 1 A 103 103 LEU HA H 103 4.886 4.977 -0.091 1
1 1238 . 6 1 1 A 103 103 LEU CB C 103 47.097 46.111 0.986 1
1 1250 . 6 1 1 A 103 103 LEU C C 103 173.874 173.817 0.057 1
1 1252 . 6 1 1 A 104 104 LYS N N 104 126.165 128.275 -2.110 1
1 1253 . 6 1 1 A 104 104 LYS H H 104 8.516 8.877 -0.361 1
1 1254 . 6 1 1 A 104 104 LYS CA C 104 55.117 55.651 -0.534 1
1 1255 . 6 1 1 A 104 104 LYS HA H 104 4.773 4.694 0.079 1
1 1256 . 6 1 1 A 104 104 LYS CB C 104 34.581 33.546 1.035 1
1 1264 . 6 1 1 A 104 104 LYS C C 104 174.980 174.897 0.083 1
1 1269 . 6 1 1 A 105 105 LEU N N 105 125.172 127.109 -1.937 1
1 1270 . 6 1 1 A 105 105 LEU H H 105 8.586 8.637 -0.051 1
1 1271 . 6 1 1 A 105 105 LEU CA C 105 53.059 53.548 -0.489 1
1 1272 . 6 1 1 A 105 105 LEU HA H 105 4.923 4.701 0.222 1
1 1273 . 6 1 1 A 105 105 LEU CB C 105 44.358 43.582 0.776 1
1 1285 . 6 1 1 A 105 105 LEU C C 105 174.037 174.608 -0.571 1
1 1287 . 6 1 1 A 106 106 ARG N N 106 119.880 126.727 -6.847 1
1 1288 . 6 1 1 A 106 106 ARG H H 106 8.363 9.406 -1.043 1
1 1289 . 6 1 1 A 106 106 ARG CA C 106 54.374 54.400 -0.026 1
1 1290 . 6 1 1 A 106 106 ARG HA H 106 4.926 5.042 -0.116 1
1 1291 . 6 1 1 A 106 106 ARG CB C 106 32.783 32.813 -0.030 1
1 1297 . 6 1 1 A 106 106 ARG C C 106 174.611 174.687 -0.076 1
1 1301 . 6 1 1 A 107 107 LEU N N 107 128.498 126.738 1.760 1
1 1302 . 6 1 1 A 107 107 LEU H H 107 9.260 9.116 0.144 1
1 1303 . 6 1 1 A 107 107 LEU CA C 107 52.942 53.529 -0.587 1
1 1304 . 6 1 1 A 107 107 LEU HA H 107 5.110 5.270 -0.160 1
1 1305 . 6 1 1 A 107 107 LEU CB C 107 45.279 45.361 -0.082 1
1 1317 . 6 1 1 A 107 107 LEU C C 107 175.494 175.693 -0.199 1
1 1319 . 6 1 1 A 108 108 THR N N 108 114.947 116.317 -1.370 1
1 1320 . 6 1 1 A 108 108 THR H H 108 8.424 8.560 -0.136 1
1 1321 . 6 1 1 A 108 108 THR CA C 108 59.201 60.580 -1.379 1
1 1322 . 6 1 1 A 108 108 THR HA H 108 5.344 5.237 0.107 1
1 1323 . 6 1 1 A 108 108 THR CB C 108 71.413 70.975 0.438 1
1 1329 . 6 1 1 A 108 108 THR C C 108 172.424 173.204 -0.780 1
1 1330 . 6 1 1 A 109 109 TYR N N 109 114.691 120.328 -5.637 1
1 1331 . 6 1 1 A 109 109 TYR H H 109 8.056 8.353 -0.297 1
1 1332 . 6 1 1 A 109 109 TYR CA C 109 57.133 55.705 1.428 1
1 1333 . 6 1 1 A 109 109 TYR HA H 109 4.769 5.389 -0.620 1
1 1334 . 6 1 1 A 109 109 TYR CB C 109 38.008 41.331 -3.323 1
1 1344 . 6 1 1 A 109 109 TYR C C 109 171.790 172.002 -0.212 1
1 1346 . 6 1 1 A 110 110 ASP N N 110 119.179 119.740 -0.561 1
1 1347 . 6 1 1 A 110 110 ASP H H 110 9.332 8.452 0.880 1
1 1348 . 6 1 1 A 110 110 ASP CA C 110 53.147 53.486 -0.339 1
1 1349 . 6 1 1 A 110 110 ASP HA H 110 5.855 5.555 0.300 1
1 1350 . 6 1 1 A 110 110 ASP CB C 110 42.179 43.347 -1.168 1
1 1352 . 6 1 1 A 110 110 ASP C C 110 176.257 174.565 1.692 1
1 1354 . 6 1 1 A 111 111 HIS N N 111 122.092 124.214 -2.122 1
1 1355 . 6 1 1 A 111 111 HIS H H 111 8.993 9.220 -0.227 1
1 1356 . 6 1 1 A 111 111 HIS CA C 111 55.365 55.090 0.275 1
1 1357 . 6 1 1 A 111 111 HIS HA H 111 4.768 4.969 -0.201 1
1 1358 . 6 1 1 A 111 111 HIS CB C 111 36.414 32.489 3.925 1
1 1364 . 6 1 1 A 111 111 HIS C C 111 175.420 174.499 0.921 1
1 1366 . 6 1 1 A 112 112 PHE N N 112 129.361 124.096 5.265 1
1 1367 . 6 1 1 A 112 112 PHE H H 112 10.128 9.353 0.775 1
1 1368 . 6 1 1 A 112 112 PHE CA C 112 59.353 58.535 0.818 1
1 1369 . 6 1 1 A 112 112 PHE HA H 112 3.972 3.734 0.238 1
1 1370 . 6 1 1 A 112 112 PHE CB C 112 36.136 36.606 -0.470 1
1 1382 . 6 1 1 A 112 112 PHE C C 112 175.288 174.856 0.432 1
1 1384 . 6 1 1 A 113 113 HIS N N 113 109.753 108.916 0.837 1
1 1385 . 6 1 1 A 113 113 HIS H H 113 8.856 8.305 0.551 1
1 1386 . 6 1 1 A 113 113 HIS CA C 113 57.593 56.650 0.943 1
1 1387 . 6 1 1 A 113 113 HIS HA H 113 4.168 4.179 -0.011 1
1 1388 . 6 1 1 A 113 113 HIS CB C 113 27.575 26.918 0.657 1
1 1394 . 6 1 1 A 113 113 HIS C C 113 174.146 173.860 0.286 1
1 1396 . 6 1 1 A 114 114 GLN N N 114 118.510 116.717 1.793 1
1 1397 . 6 1 1 A 114 114 GLN H H 114 7.930 7.640 0.290 1
1 1398 . 6 1 1 A 114 114 GLN CA C 114 54.303 54.572 -0.269 1
1 1399 . 6 1 1 A 114 114 GLN HA H 114 4.674 4.775 -0.101 1
1 1400 . 6 1 1 A 114 114 GLN CB C 114 31.548 32.682 -1.134 1
1 1407 . 6 1 1 A 114 114 GLN C C 114 174.702 174.416 0.286 1
1 1410 . 6 1 1 A 115 115 SER N N 115 118.183 118.570 -0.387 1
1 1411 . 6 1 1 A 115 115 SER H H 115 8.528 8.738 -0.210 1
1 1412 . 6 1 1 A 115 115 SER CA C 115 57.665 57.884 -0.219 1
1 1413 . 6 1 1 A 115 115 SER HA H 115 5.112 4.726 0.386 1
1 1414 . 6 1 1 A 115 115 SER CB C 115 63.266 63.515 -0.249 1
1 1416 . 6 1 1 A 115 115 SER C C 115 174.157 173.651 0.506 1
1 1418 . 6 1 1 A 116 116 VAL N N 116 130.788 127.312 3.476 1
1 1419 . 6 1 1 A 116 116 VAL H H 116 9.445 8.709 0.736 1
1 1420 . 6 1 1 A 116 116 VAL CA C 116 62.375 61.242 1.133 1
1 1421 . 6 1 1 A 116 116 VAL HA H 116 3.870 4.387 -0.517 1
1 1422 . 6 1 1 A 116 116 VAL CB C 116 32.564 32.596 -0.032 1
1 1432 . 6 1 1 A 116 116 VAL C C 116 175.674 173.920 1.754 1
1 1433 . 6 1 1 A 117 117 GLN N N 117 127.278 128.687 -1.409 1
1 1434 . 6 1 1 A 117 117 GLN H H 117 8.612 9.077 -0.465 1
1 1435 . 6 1 1 A 117 117 GLN CA C 117 55.004 54.401 0.603 1
1 1436 . 6 1 1 A 117 117 GLN HA H 117 5.170 4.838 0.332 1
1 1437 . 6 1 1 A 117 117 GLN CB C 117 31.166 30.377 0.789 1
1 1444 . 6 1 1 A 117 117 GLN C C 117 174.229 174.813 -0.584 1
1 1447 . 6 1 1 A 118 118 GLU N N 118 125.633 126.646 -1.013 1
1 1448 . 6 1 1 A 118 118 GLU H H 118 8.960 9.004 -0.044 1
1 1449 . 6 1 1 A 118 118 GLU CA C 118 54.799 54.956 -0.157 1
1 1450 . 6 1 1 A 118 118 GLU HA H 118 4.869 5.204 -0.335 1
1 1451 . 6 1 1 A 118 118 GLU CB C 118 33.675 32.464 1.211 1
1 1455 . 6 1 1 A 118 118 GLU C C 118 174.340 175.542 -1.202 1
1 1458 . 6 1 1 A 119 119 ILE N N 119 123.525 124.420 -0.895 1
1 1459 . 6 1 1 A 119 119 ILE H H 119 8.683 9.157 -0.474 1
1 1460 . 6 1 1 A 119 119 ILE CA C 119 60.005 60.364 -0.359 1
1 1461 . 6 1 1 A 119 119 ILE HA H 119 5.157 4.966 0.191 1
1 1462 . 6 1 1 A 119 119 ILE CB C 119 40.761 40.784 -0.023 1
1 1474 . 6 1 1 A 119 119 ILE C C 119 175.386 175.397 -0.011 1
1 1476 . 6 1 1 A 120 120 PHE N N 120 122.954 123.466 -0.512 1
1 1477 . 6 1 1 A 120 120 PHE H H 120 8.647 8.359 0.288 1
1 1478 . 6 1 1 A 120 120 PHE CA C 120 55.754 55.313 0.441 1
1 1479 . 6 1 1 A 120 120 PHE HA H 120 5.064 5.536 -0.472 1
1 1480 . 6 1 1 A 120 120 PHE CB C 120 39.904 42.667 -2.763 1
1 1492 . 6 1 1 A 120 120 PHE C C 120 172.536 172.719 -0.183 1
1 1494 . 6 1 1 A 121 121 GLU N N 121 120.205 119.402 0.803 1
1 1495 . 6 1 1 A 121 121 GLU H H 121 8.807 8.816 -0.009 1
1 1496 . 6 1 1 A 121 121 GLU CA C 121 54.976 55.343 -0.367 1
1 1497 . 6 1 1 A 121 121 GLU HA H 121 4.795 5.013 -0.218 1
1 1498 . 6 1 1 A 121 121 GLU CB C 121 31.537 32.496 -0.959 1
1 1502 . 6 1 1 A 121 121 GLU C C 121 175.979 175.895 0.084 1
1 1505 . 6 1 1 A 122 122 VAL N N 122 124.567 125.191 -0.624 1
1 1506 . 6 1 1 A 122 122 VAL H H 122 8.818 8.742 0.076 1
1 1507 . 6 1 1 A 122 122 VAL CA C 122 62.536 63.776 -1.240 1
1 1508 . 6 1 1 A 122 122 VAL HA H 122 4.300 4.170 0.130 1
1 1509 . 6 1 1 A 122 122 VAL CB C 122 32.136 31.781 0.355 1
1 1519 . 6 1 1 A 122 122 VAL C C 122 175.324 177.256 -1.932 1
1 1520 . 6 1 1 A 123 123 ASN N N 123 125.013 120.100 4.913 1
1 1521 . 6 1 1 A 123 123 ASN H H 123 8.770 8.774 -0.004 1
1 1522 . 6 1 1 A 123 123 ASN CA C 123 52.889 52.182 0.707 1
1 1523 . 6 1 1 A 123 123 ASN HA H 123 5.072 5.165 -0.093 1
1 1524 . 6 1 1 A 123 123 ASN CB C 123 40.114 39.236 0.878 1
1 1529 . 6 1 1 A 123 123 ASN C C 123 174.799 175.972 -1.173 1
1 1531 . 6 1 1 A 124 124 ASN N N 124 117.247 116.994 0.253 1
1 1532 . 6 1 1 A 124 124 ASN H H 124 8.599 8.213 0.386 1
1 1533 . 6 1 1 A 124 124 ASN CA C 124 52.853 52.715 0.138 1
1 1534 . 6 1 1 A 124 124 ASN HA H 124 4.721 4.965 -0.244 1
1 1535 . 6 1 1 A 124 124 ASN CB C 124 36.882 39.005 -2.123 1
1 1540 . 6 1 1 A 124 124 ASN C C 124 174.437 174.899 -0.462 1
1 1542 . 6 1 1 A 125 125 LEU N N 125 119.273 122.041 -2.768 1
1 1543 . 6 1 1 A 125 125 LEU H H 125 8.105 7.352 0.753 1
1 1544 . 6 1 1 A 125 125 LEU CA C 125 53.787 53.719 0.068 1
1 1545 . 6 1 1 A 125 125 LEU HA H 125 4.187 4.439 -0.252 1
1 1546 . 6 1 1 A 125 125 LEU CB C 125 40.398 41.476 -1.078 1
1 1558 . 6 1 1 A 125 125 LEU C C 125 175.528 174.679 0.849 1
1 1560 . 6 1 1 A 126 126 PRO CA C 126 62.439 62.426 0.013 1
1 1561 . 6 1 1 A 126 126 PRO HA H 126 4.519 4.513 0.006 1
1 1562 . 6 1 1 A 126 126 PRO CB C 126 31.210 32.364 -1.154 1
1 1568 . 6 1 1 A 126 126 PRO C C 126 179.073 176.831 2.242 1
1 1572 . 6 1 1 A 127 127 VAL N N 127 124.759 122.613 2.146 1
1 1573 . 6 1 1 A 127 127 VAL H H 127 8.794 8.760 0.034 1
1 1574 . 6 1 1 A 127 127 VAL CA C 127 64.360 64.243 0.117 1
1 1575 . 6 1 1 A 127 127 VAL HA H 127 3.216 3.956 -0.740 1
1 1576 . 6 1 1 A 127 127 VAL CB C 127 30.825 31.846 -1.021 1
1 1586 . 6 1 1 A 127 127 VAL C C 127 176.789 177.241 -0.452 1
1 1587 . 6 1 1 A 128 128 GLU N N 128 119.892 122.658 -2.766 1
1 1588 . 6 1 1 A 128 128 GLU H H 128 9.460 7.941 1.519 1
1 1589 . 6 1 1 A 128 128 GLU CA C 128 59.216 59.354 -0.138 1
1 1590 . 6 1 1 A 128 128 GLU HA H 128 3.831 3.602 0.229 1
1 1591 . 6 1 1 A 128 128 GLU CB C 128 29.188 29.423 -0.235 1
1 1595 . 6 1 1 A 128 128 GLU C C 128 177.624 179.104 -1.480 1
1 1598 . 6 1 1 A 129 129 SER N N 129 112.727 116.183 -3.456 1
1 1599 . 6 1 1 A 129 129 SER H H 129 8.057 7.917 0.140 1
1 1600 . 6 1 1 A 129 129 SER CA C 129 61.024 61.975 -0.951 1
1 1601 . 6 1 1 A 129 129 SER HA H 129 3.925 4.038 -0.113 1
1 1602 . 6 1 1 A 129 129 SER CB C 129 64.440 62.549 1.891 1
1 1604 . 6 1 1 A 129 129 SER C C 129 173.147 176.835 -3.688 1
1 1606 . 6 1 1 A 130 130 TRP N N 130 117.092 121.086 -3.994 1
1 1607 . 6 1 1 A 130 130 TRP H H 130 7.184 8.096 -0.912 1
1 1608 . 6 1 1 A 130 130 TRP CA C 130 57.027 59.382 -2.355 1
1 1609 . 6 1 1 A 130 130 TRP HA H 130 4.974 4.430 0.544 1
1 1610 . 6 1 1 A 130 130 TRP CB C 130 31.384 29.000 2.384 1
1 1624 . 6 1 1 A 130 130 TRP C C 130 174.759 177.969 -3.210 1
1 1 . 7 1 1 A 6 6 SER CA C 6 58.371 56.670 1.701 1
1 2 . 7 1 1 A 6 6 SER HA H 6 4.533 4.846 -0.313 1
1 3 . 7 1 1 A 6 6 SER CB C 6 63.994 63.935 0.059 1
1 5 . 7 1 1 A 6 6 SER C C 6 174.472 173.234 1.238 1
1 7 . 7 1 1 A 7 7 GLY N N 7 110.741 113.596 -2.855 1
1 8 . 7 1 1 A 7 7 GLY H H 7 8.209 8.409 -0.200 1
1 9 . 7 1 1 A 7 7 GLY CA C 7 44.501 44.311 0.190 1
1 10 . 7 1 1 A 7 7 GLY HA3 H 7 4.059 4.127 -0.068 1
1 11 . 7 1 1 A 7 7 GLY C C 7 171.084 172.457 -1.373 1
1 12 . 7 1 1 A 7 7 GLY HA2 H 7 4.155 4.127 0.028 1
1 13 . 7 1 1 A 8 8 PRO CA C 8 61.515 62.173 -0.658 1
1 14 . 7 1 1 A 8 8 PRO HA H 8 4.713 4.672 0.041 1
1 15 . 7 1 1 A 8 8 PRO CB C 8 30.760 31.840 -1.080 1
1 24 . 7 1 1 A 9 9 PRO HA H 9 4.724 4.610 0.114 1
1 30 . 7 1 1 A 10 10 PRO CA C 10 62.761 62.437 0.324 1
1 31 . 7 1 1 A 10 10 PRO HA H 10 4.389 4.584 -0.195 1
1 32 . 7 1 1 A 10 10 PRO CB C 10 32.082 33.103 -1.021 1
1 37 . 7 1 1 A 10 10 PRO C C 10 176.236 175.341 0.895 1
1 41 . 7 1 1 A 11 11 ALA N N 11 125.926 122.188 3.738 1
1 42 . 7 1 1 A 11 11 ALA H H 11 8.352 8.142 0.210 1
1 43 . 7 1 1 A 11 11 ALA CA C 11 50.343 49.148 1.195 1
1 44 . 7 1 1 A 11 11 ALA HA H 11 4.583 4.784 -0.201 1
1 45 . 7 1 1 A 11 11 ALA CB C 11 18.255 20.156 -1.901 1
1 49 . 7 1 1 A 11 11 ALA C C 11 175.479 175.190 0.289 1
1 50 . 7 1 1 A 12 12 PRO CA C 12 62.757 62.211 0.546 1
1 51 . 7 1 1 A 12 12 PRO HA H 12 4.386 4.595 -0.209 1
1 52 . 7 1 1 A 12 12 PRO CB C 12 32.104 33.093 -0.989 1
1 57 . 7 1 1 A 12 12 PRO C C 12 176.478 175.330 1.148 1
1 61 . 7 1 1 A 13 13 ILE N N 13 124.607 121.475 3.132 1
1 62 . 7 1 1 A 13 13 ILE H H 13 8.661 8.441 0.220 1
1 63 . 7 1 1 A 13 13 ILE CA C 13 59.081 58.228 0.853 1
1 64 . 7 1 1 A 13 13 ILE HA H 13 4.288 4.493 -0.205 1
1 65 . 7 1 1 A 13 13 ILE CB C 13 39.710 38.604 1.106 1
1 77 . 7 1 1 A 13 13 ILE C C 13 174.727 174.826 -0.099 1
1 79 . 7 1 1 A 14 14 PRO CA C 14 63.433 62.164 1.269 1
1 80 . 7 1 1 A 14 14 PRO HA H 14 4.457 4.621 -0.164 1
1 81 . 7 1 1 A 14 14 PRO CB C 14 32.428 33.099 -0.671 1
1 86 . 7 1 1 A 14 14 PRO C C 14 175.380 176.171 -0.791 1
1 90 . 7 1 1 A 15 15 ASP N N 15 118.741 119.070 -0.329 1
1 91 . 7 1 1 A 15 15 ASP H H 15 8.042 8.537 -0.495 1
1 92 . 7 1 1 A 15 15 ASP CA C 15 54.213 52.907 1.306 1
1 93 . 7 1 1 A 15 15 ASP HA H 15 5.064 5.085 -0.021 1
1 94 . 7 1 1 A 15 15 ASP CB C 15 41.793 42.325 -0.532 1
1 96 . 7 1 1 A 15 15 ASP C C 15 176.413 175.105 1.308 1
1 98 . 7 1 1 A 16 16 LEU N N 16 121.451 122.693 -1.242 1
1 99 . 7 1 1 A 16 16 LEU H H 16 9.016 8.947 0.069 1
1 100 . 7 1 1 A 16 16 LEU CA C 16 53.914 54.182 -0.268 1
1 101 . 7 1 1 A 16 16 LEU HA H 16 4.847 4.977 -0.130 1
1 102 . 7 1 1 A 16 16 LEU CB C 16 48.283 46.077 2.206 1
1 114 . 7 1 1 A 16 16 LEU C C 16 174.915 174.487 0.428 1
1 116 . 7 1 1 A 17 17 LYS N N 17 130.346 127.694 2.652 1
1 117 . 7 1 1 A 17 17 LYS H H 17 8.937 8.855 0.082 1
1 118 . 7 1 1 A 17 17 LYS CA C 17 57.027 56.986 0.041 1
1 119 . 7 1 1 A 17 17 LYS HA H 17 4.821 4.489 0.332 1
1 120 . 7 1 1 A 17 17 LYS CB C 17 31.991 32.561 -0.570 1
1 128 . 7 1 1 A 17 17 LYS C C 17 177.744 176.343 1.401 1
1 133 . 7 1 1 A 18 18 VAL N N 18 116.605 121.703 -5.098 1
1 134 . 7 1 1 A 18 18 VAL H H 18 8.228 8.538 -0.310 1
1 135 . 7 1 1 A 18 18 VAL CA C 18 60.586 61.989 -1.403 1
1 136 . 7 1 1 A 18 18 VAL HA H 18 4.807 4.436 0.371 1
1 137 . 7 1 1 A 18 18 VAL CB C 18 33.601 33.849 -0.248 1
1 147 . 7 1 1 A 18 18 VAL C C 18 174.118 175.601 -1.483 1
1 148 . 7 1 1 A 19 19 PHE N N 19 120.586 121.182 -0.596 1
1 149 . 7 1 1 A 19 19 PHE H H 19 7.429 7.190 0.239 1
1 150 . 7 1 1 A 19 19 PHE CA C 19 57.947 56.917 1.030 1
1 151 . 7 1 1 A 19 19 PHE HA H 19 4.544 4.500 0.044 1
1 152 . 7 1 1 A 19 19 PHE CB C 19 43.455 42.322 1.133 1
1 162 . 7 1 1 A 19 19 PHE C C 19 172.947 172.852 0.095 1
1 164 . 7 1 1 A 20 20 GLU N N 20 126.790 126.691 0.099 1
1 165 . 7 1 1 A 20 20 GLU H H 20 7.620 8.476 -0.856 1
1 166 . 7 1 1 A 20 20 GLU CA C 20 55.117 54.937 0.180 1
1 167 . 7 1 1 A 20 20 GLU HA H 20 5.059 4.928 0.131 1
1 168 . 7 1 1 A 20 20 GLU CB C 20 32.091 32.242 -0.151 1
1 172 . 7 1 1 A 20 20 GLU C C 20 174.073 174.299 -0.226 1
1 175 . 7 1 1 A 21 21 ARG N N 21 125.153 127.562 -2.409 1
1 176 . 7 1 1 A 21 21 ARG H H 21 8.806 8.893 -0.087 1
1 177 . 7 1 1 A 21 21 ARG CA C 21 56.532 54.177 2.355 1
1 178 . 7 1 1 A 21 21 ARG HA H 21 4.234 4.837 -0.603 1
1 179 . 7 1 1 A 21 21 ARG CB C 21 33.707 34.078 -0.371 1
1 185 . 7 1 1 A 21 21 ARG C C 21 176.293 174.781 1.512 1
1 189 . 7 1 1 A 22 22 GLU N N 22 132.286 124.962 7.324 1
1 190 . 7 1 1 A 22 22 GLU H H 22 9.887 8.701 1.186 1
1 191 . 7 1 1 A 22 22 GLU CA C 22 57.271 57.724 -0.453 1
1 192 . 7 1 1 A 22 22 GLU HA H 22 3.968 4.113 -0.145 1
1 193 . 7 1 1 A 22 22 GLU CB C 22 28.595 29.097 -0.502 1
1 197 . 7 1 1 A 22 22 GLU C C 22 175.219 177.099 -1.880 1
1 200 . 7 1 1 A 23 23 GLY N N 23 103.445 113.600 -10.155 1
1 201 . 7 1 1 A 23 23 GLY H H 23 8.570 8.951 -0.381 1
1 202 . 7 1 1 A 23 23 GLY CA C 23 45.698 45.316 0.382 1
1 203 . 7 1 1 A 23 23 GLY HA3 H 23 4.242 4.135 0.107 1
1 204 . 7 1 1 A 23 23 GLY C C 23 173.517 174.169 -0.652 1
1 205 . 7 1 1 A 23 23 GLY HA2 H 23 3.658 4.124 -0.466 1
1 206 . 7 1 1 A 24 24 VAL N N 24 124.489 120.508 3.981 1
1 207 . 7 1 1 A 24 24 VAL H H 24 8.016 8.019 -0.003 1
1 208 . 7 1 1 A 24 24 VAL CA C 24 61.341 61.567 -0.226 1
1 209 . 7 1 1 A 24 24 VAL HA H 24 4.780 4.760 0.020 1
1 210 . 7 1 1 A 24 24 VAL CB C 24 32.051 33.725 -1.674 1
1 220 . 7 1 1 A 24 24 VAL C C 24 175.459 175.013 0.446 1
1 221 . 7 1 1 A 25 25 GLN N N 25 123.296 125.468 -2.172 1
1 222 . 7 1 1 A 25 25 GLN H H 25 8.446 9.165 -0.719 1
1 223 . 7 1 1 A 25 25 GLN CA C 25 53.879 54.339 -0.460 1
1 224 . 7 1 1 A 25 25 GLN HA H 25 5.378 5.239 0.139 1
1 225 . 7 1 1 A 25 25 GLN CB C 25 33.065 32.310 0.755 1
1 232 . 7 1 1 A 25 25 GLN C C 25 174.348 174.506 -0.158 1
1 235 . 7 1 1 A 26 26 LEU N N 26 120.847 124.304 -3.457 1
1 236 . 7 1 1 A 26 26 LEU H H 26 8.579 9.285 -0.706 1
1 237 . 7 1 1 A 26 26 LEU CA C 26 53.914 54.071 -0.157 1
1 238 . 7 1 1 A 26 26 LEU HA H 26 5.400 5.550 -0.150 1
1 239 . 7 1 1 A 26 26 LEU CB C 26 47.336 46.390 0.946 1
1 251 . 7 1 1 A 26 26 LEU C C 26 174.842 174.386 0.456 1
1 253 . 7 1 1 A 27 27 ASN N N 27 124.346 124.288 0.058 1
1 254 . 7 1 1 A 27 27 ASN H H 27 8.738 9.044 -0.306 1
1 255 . 7 1 1 A 27 27 ASN CA C 27 52.063 51.855 0.208 1
1 256 . 7 1 1 A 27 27 ASN HA H 27 5.542 5.429 0.113 1
1 257 . 7 1 1 A 27 27 ASN CB C 27 43.866 42.284 1.582 1
1 262 . 7 1 1 A 27 27 ASN C C 27 173.520 173.985 -0.465 1
1 264 . 7 1 1 A 28 28 LEU N N 28 124.198 123.839 0.359 1
1 265 . 7 1 1 A 28 28 LEU H H 28 9.406 9.064 0.342 1
1 266 . 7 1 1 A 28 28 LEU CA C 28 53.773 53.772 0.001 1
1 267 . 7 1 1 A 28 28 LEU HA H 28 4.995 5.130 -0.135 1
1 268 . 7 1 1 A 28 28 LEU CB C 28 44.307 46.189 -1.882 1
1 280 . 7 1 1 A 28 28 LEU C C 28 174.670 174.323 0.347 1
1 282 . 7 1 1 A 29 29 SER N N 29 115.017 120.333 -5.316 1
1 283 . 7 1 1 A 29 29 SER H H 29 8.314 9.015 -0.701 1
1 284 . 7 1 1 A 29 29 SER CA C 29 56.340 56.294 0.046 1
1 285 . 7 1 1 A 29 29 SER HA H 29 4.807 5.415 -0.608 1
1 286 . 7 1 1 A 29 29 SER CB C 29 65.926 65.491 0.435 1
1 288 . 7 1 1 A 29 29 SER C C 29 172.842 172.708 0.134 1
1 290 . 7 1 1 A 30 30 PHE N N 30 119.941 123.779 -3.838 1
1 291 . 7 1 1 A 30 30 PHE H H 30 9.366 9.160 0.206 1
1 292 . 7 1 1 A 30 30 PHE CA C 30 57.047 56.470 0.577 1
1 293 . 7 1 1 A 30 30 PHE HA H 30 5.374 5.331 0.043 1
1 294 . 7 1 1 A 30 30 PHE CB C 30 44.307 42.093 2.214 1
1 306 . 7 1 1 A 30 30 PHE C C 30 175.242 175.348 -0.106 1
1 308 . 7 1 1 A 31 31 ILE N N 31 122.161 120.605 1.556 1
1 309 . 7 1 1 A 31 31 ILE H H 31 8.950 8.660 0.290 1
1 310 . 7 1 1 A 31 31 ILE CA C 31 60.680 60.670 0.010 1
1 311 . 7 1 1 A 31 31 ILE HA H 31 4.338 4.870 -0.532 1
1 312 . 7 1 1 A 31 31 ILE CB C 31 42.354 41.188 1.166 1
1 324 . 7 1 1 A 31 31 ILE C C 31 174.368 175.205 -0.837 1
1 326 . 7 1 1 A 32 32 ARG N N 32 128.976 127.539 1.437 1
1 327 . 7 1 1 A 32 32 ARG H H 32 8.773 8.944 -0.171 1
1 328 . 7 1 1 A 32 32 ARG CA C 32 51.444 52.860 -1.416 1
1 329 . 7 1 1 A 32 32 ARG HA H 32 5.263 4.945 0.318 1
1 330 . 7 1 1 A 32 32 ARG CB C 32 29.600 31.311 -1.711 1
1 338 . 7 1 1 A 32 32 ARG C C 32 173.585 173.784 -0.199 1
1 342 . 7 1 1 A 33 33 PRO CA C 33 60.759 61.836 -1.077 1
1 343 . 7 1 1 A 33 33 PRO HA H 33 4.581 4.728 -0.147 1
1 344 . 7 1 1 A 33 33 PRO CB C 33 32.219 32.491 -0.272 1
1 353 . 7 1 1 A 34 34 PRO CA C 34 64.464 65.221 -0.757 1
1 354 . 7 1 1 A 34 34 PRO HA H 34 4.236 4.228 0.008 1
1 355 . 7 1 1 A 34 34 PRO CB C 34 31.997 32.047 -0.050 1
1 361 . 7 1 1 A 34 34 PRO C C 34 178.240 178.534 -0.294 1
1 365 . 7 1 1 A 35 35 GLU N N 35 115.025 116.213 -1.188 1
1 366 . 7 1 1 A 35 35 GLU H H 35 9.287 8.856 0.431 1
1 367 . 7 1 1 A 35 35 GLU CA C 35 57.753 58.794 -1.041 1
1 368 . 7 1 1 A 35 35 GLU HA H 35 4.205 4.145 0.060 1
1 369 . 7 1 1 A 35 35 GLU CB C 35 28.595 28.822 -0.227 1
1 373 . 7 1 1 A 35 35 GLU C C 35 176.471 176.525 -0.054 1
1 376 . 7 1 1 A 36 36 ASN N N 36 114.302 118.542 -4.240 1
1 377 . 7 1 1 A 36 36 ASN H H 36 7.257 7.946 -0.689 1
1 378 . 7 1 1 A 36 36 ASN CA C 36 50.593 49.765 0.828 1
1 379 . 7 1 1 A 36 36 ASN HA H 36 5.024 5.071 -0.047 1
1 380 . 7 1 1 A 36 36 ASN CB C 36 39.094 39.972 -0.878 1
1 385 . 7 1 1 A 36 36 ASN C C 36 172.128 173.694 -1.566 1
1 387 . 7 1 1 A 37 37 PRO CA C 37 64.287 65.060 -0.773 1
1 388 . 7 1 1 A 37 37 PRO HA H 37 4.600 4.325 0.275 1
1 389 . 7 1 1 A 37 37 PRO CB C 37 32.235 32.050 0.185 1
1 394 . 7 1 1 A 37 37 PRO C C 37 176.707 178.006 -1.299 1
1 398 . 7 1 1 A 38 38 ALA N N 38 117.780 118.213 -0.433 1
1 399 . 7 1 1 A 38 38 ALA H H 38 7.596 8.030 -0.434 1
1 400 . 7 1 1 A 38 38 ALA CA C 38 52.674 53.101 -0.427 1
1 401 . 7 1 1 A 38 38 ALA HA H 38 4.262 4.335 -0.073 1
1 402 . 7 1 1 A 38 38 ALA CB C 38 19.201 19.203 -0.002 1
1 406 . 7 1 1 A 38 38 ALA C C 38 176.546 177.073 -0.527 1
1 407 . 7 1 1 A 39 39 LEU N N 39 122.870 121.201 1.669 1
1 408 . 7 1 1 A 39 39 LEU H H 39 7.963 7.109 0.854 1
1 409 . 7 1 1 A 39 39 LEU CA C 39 54.548 53.938 0.610 1
1 410 . 7 1 1 A 39 39 LEU HA H 39 4.953 4.764 0.189 1
1 411 . 7 1 1 A 39 39 LEU CB C 39 44.768 43.704 1.064 1
1 423 . 7 1 1 A 39 39 LEU C C 39 173.627 175.319 -1.692 1
1 425 . 7 1 1 A 40 40 LEU N N 40 125.985 129.444 -3.459 1
1 426 . 7 1 1 A 40 40 LEU H H 40 9.247 8.984 0.263 1
1 427 . 7 1 1 A 40 40 LEU CA C 40 53.914 53.652 0.262 1
1 428 . 7 1 1 A 40 40 LEU HA H 40 5.018 5.112 -0.094 1
1 429 . 7 1 1 A 40 40 LEU CB C 40 45.014 44.739 0.275 1
1 441 . 7 1 1 A 40 40 LEU C C 40 174.170 174.936 -0.766 1
1 443 . 7 1 1 A 41 41 LEU N N 41 125.906 129.201 -3.295 1
1 444 . 7 1 1 A 41 41 LEU H H 41 9.224 9.137 0.087 1
1 445 . 7 1 1 A 41 41 LEU CA C 41 53.190 53.967 -0.777 1
1 446 . 7 1 1 A 41 41 LEU HA H 41 5.222 5.110 0.112 1
1 447 . 7 1 1 A 41 41 LEU CB C 41 42.034 41.740 0.294 1
1 459 . 7 1 1 A 41 41 LEU C C 41 177.109 175.921 1.188 1
1 461 . 7 1 1 A 42 42 ILE N N 42 124.731 126.092 -1.361 1
1 462 . 7 1 1 A 42 42 ILE H H 42 9.087 8.927 0.160 1
1 463 . 7 1 1 A 42 42 ILE CA C 42 59.794 60.215 -0.421 1
1 464 . 7 1 1 A 42 42 ILE HA H 42 5.055 4.994 0.061 1
1 465 . 7 1 1 A 42 42 ILE CB C 42 41.019 39.526 1.493 1
1 477 . 7 1 1 A 42 42 ILE C C 42 175.074 175.352 -0.278 1
1 479 . 7 1 1 A 43 43 THR N N 43 123.315 122.870 0.445 1
1 480 . 7 1 1 A 43 43 THR H H 43 8.589 9.189 -0.600 1
1 481 . 7 1 1 A 43 43 THR CA C 43 61.677 61.653 0.024 1
1 482 . 7 1 1 A 43 43 THR HA H 43 5.023 5.416 -0.393 1
1 483 . 7 1 1 A 43 43 THR CB C 43 69.838 71.480 -1.642 1
1 489 . 7 1 1 A 43 43 THR C C 43 174.993 173.670 1.323 1
1 490 . 7 1 1 A 44 44 ILE N N 44 126.677 125.934 0.743 1
1 491 . 7 1 1 A 44 44 ILE H H 44 9.329 9.160 0.169 1
1 492 . 7 1 1 A 44 44 ILE CA C 44 59.794 59.821 -0.027 1
1 493 . 7 1 1 A 44 44 ILE HA H 44 4.953 5.089 -0.136 1
1 494 . 7 1 1 A 44 44 ILE CB C 44 38.754 40.953 -2.199 1
1 506 . 7 1 1 A 44 44 ILE C C 44 174.670 175.335 -0.665 1
1 508 . 7 1 1 A 45 45 THR N N 45 120.442 120.819 -0.377 1
1 509 . 7 1 1 A 45 45 THR H H 45 8.740 8.486 0.254 1
1 510 . 7 1 1 A 45 45 THR CA C 45 61.579 61.352 0.227 1
1 511 . 7 1 1 A 45 45 THR HA H 45 5.266 5.186 0.080 1
1 512 . 7 1 1 A 45 45 THR CB C 45 70.338 71.274 -0.936 1
1 518 . 7 1 1 A 45 45 THR C C 45 174.494 173.381 1.113 1
1 519 . 7 1 1 A 46 46 ALA N N 46 134.267 129.774 4.493 1
1 520 . 7 1 1 A 46 46 ALA H H 46 9.489 8.572 0.917 1
1 521 . 7 1 1 A 46 46 ALA CA C 46 49.846 50.157 -0.311 1
1 522 . 7 1 1 A 46 46 ALA HA H 46 5.554 5.267 0.287 1
1 523 . 7 1 1 A 46 46 ALA CB C 46 20.414 20.879 -0.465 1
1 527 . 7 1 1 A 46 46 ALA C C 46 174.819 176.296 -1.477 1
1 528 . 7 1 1 A 47 47 THR N N 47 111.611 114.673 -3.062 1
1 529 . 7 1 1 A 47 47 THR H H 47 8.431 8.827 -0.396 1
1 530 . 7 1 1 A 47 47 THR CA C 47 59.331 59.789 -0.458 1
1 531 . 7 1 1 A 47 47 THR HA H 47 4.409 5.214 -0.805 1
1 532 . 7 1 1 A 47 47 THR CB C 47 71.655 71.141 0.514 1
1 538 . 7 1 1 A 47 47 THR C C 47 173.104 173.093 0.011 1
1 539 . 7 1 1 A 48 48 ASN N N 48 117.087 122.211 -5.124 1
1 540 . 7 1 1 A 48 48 ASN H H 48 8.647 8.492 0.155 1
1 541 . 7 1 1 A 48 48 ASN CA C 48 51.019 51.760 -0.741 1
1 542 . 7 1 1 A 48 48 ASN HA H 48 5.096 5.596 -0.500 1
1 543 . 7 1 1 A 48 48 ASN CB C 48 39.880 41.817 -1.937 1
1 548 . 7 1 1 A 48 48 ASN C C 48 173.769 174.416 -0.647 1
1 550 . 7 1 1 A 49 49 PHE N N 49 123.238 124.805 -1.567 1
1 551 . 7 1 1 A 49 49 PHE H H 49 9.105 9.165 -0.060 1
1 552 . 7 1 1 A 49 49 PHE CA C 49 57.422 57.465 -0.043 1
1 553 . 7 1 1 A 49 49 PHE HA H 49 4.601 4.885 -0.284 1
1 554 . 7 1 1 A 49 49 PHE CB C 49 38.770 39.453 -0.683 1
1 566 . 7 1 1 A 49 49 PHE C C 49 176.238 175.439 0.799 1
1 568 . 7 1 1 A 50 50 SER N N 50 118.477 113.708 4.769 1
1 569 . 7 1 1 A 50 50 SER H H 50 8.344 7.978 0.366 1
1 570 . 7 1 1 A 50 50 SER CA C 50 58.654 56.747 1.907 1
1 571 . 7 1 1 A 50 50 SER HA H 50 4.933 4.893 0.040 1
1 572 . 7 1 1 A 50 50 SER CB C 50 66.611 66.244 0.367 1
1 573 . 7 1 1 A 50 50 SER C C 50 173.089 175.130 -2.041 1
1 574 . 7 1 1 A 51 51 GLU N N 51 114.036 118.519 -4.483 1
1 575 . 7 1 1 A 51 51 GLU H H 51 9.051 8.794 0.257 1
1 576 . 7 1 1 A 51 51 GLU CA C 51 56.701 58.103 -1.402 1
1 577 . 7 1 1 A 51 51 GLU HA H 51 4.358 4.297 0.061 1
1 578 . 7 1 1 A 51 51 GLU CB C 51 30.323 30.691 -0.368 1
1 582 . 7 1 1 A 51 51 GLU C C 51 175.603 176.945 -1.342 1
1 585 . 7 1 1 A 52 52 GLY N N 52 109.625 107.410 2.215 1
1 586 . 7 1 1 A 52 52 GLY H H 52 8.525 7.819 0.706 1
1 587 . 7 1 1 A 52 52 GLY CA C 52 44.267 43.978 0.289 1
1 588 . 7 1 1 A 52 52 GLY HA3 H 52 4.505 3.639 0.866 1
1 589 . 7 1 1 A 52 52 GLY C C 52 173.168 172.064 1.104 1
1 590 . 7 1 1 A 52 52 GLY HA2 H 52 2.842 2.976 -0.134 1
1 591 . 7 1 1 A 53 53 ASP N N 53 125.175 121.717 3.458 1
1 592 . 7 1 1 A 53 53 ASP H H 53 9.001 8.423 0.578 1
1 593 . 7 1 1 A 53 53 ASP CA C 53 55.793 54.253 1.540 1
1 594 . 7 1 1 A 53 53 ASP HA H 53 4.082 4.866 -0.784 1
1 595 . 7 1 1 A 53 53 ASP CB C 53 40.522 42.212 -1.690 1
1 597 . 7 1 1 A 53 53 ASP C C 53 176.506 175.518 0.988 1
1 599 . 7 1 1 A 54 54 VAL N N 54 125.250 121.983 3.267 1
1 600 . 7 1 1 A 54 54 VAL H H 54 7.873 8.163 -0.290 1
1 601 . 7 1 1 A 54 54 VAL CA C 54 61.350 61.207 0.143 1
1 602 . 7 1 1 A 54 54 VAL HA H 54 4.759 4.669 0.090 1
1 603 . 7 1 1 A 54 54 VAL CB C 54 32.808 32.608 0.200 1
1 613 . 7 1 1 A 54 54 VAL C C 54 176.126 175.314 0.812 1
1 614 . 7 1 1 A 55 55 THR N N 55 116.888 116.851 0.037 1
1 615 . 7 1 1 A 55 55 THR H H 55 9.004 8.524 0.480 1
1 616 . 7 1 1 A 55 55 THR CA C 55 59.194 59.691 -0.497 1
1 617 . 7 1 1 A 55 55 THR HA H 55 4.920 4.741 0.179 1
1 618 . 7 1 1 A 55 55 THR CB C 55 72.508 71.663 0.845 1
1 624 . 7 1 1 A 55 55 THR C C 55 173.166 173.448 -0.282 1
1 625 . 7 1 1 A 56 56 HIS N N 56 115.667 116.596 -0.929 1
1 626 . 7 1 1 A 56 56 HIS H H 56 9.193 8.301 0.892 1
1 627 . 7 1 1 A 56 56 HIS CA C 56 56.363 56.723 -0.360 1
1 628 . 7 1 1 A 56 56 HIS HA H 56 4.153 4.022 0.131 1
1 629 . 7 1 1 A 56 56 HIS CB C 56 26.923 27.043 -0.120 1
1 635 . 7 1 1 A 56 56 HIS C C 56 173.611 173.781 -0.170 1
1 637 . 7 1 1 A 57 57 PHE N N 57 118.625 118.579 0.046 1
1 638 . 7 1 1 A 57 57 PHE H H 57 8.932 8.174 0.758 1
1 639 . 7 1 1 A 57 57 PHE CA C 57 59.503 58.101 1.402 1
1 640 . 7 1 1 A 57 57 PHE HA H 57 4.819 4.692 0.127 1
1 641 . 7 1 1 A 57 57 PHE CB C 57 39.871 40.020 -0.149 1
1 653 . 7 1 1 A 57 57 PHE C C 57 176.025 174.822 1.203 1
1 655 . 7 1 1 A 58 58 ILE N N 58 131.418 127.944 3.474 1
1 656 . 7 1 1 A 58 58 ILE H H 58 8.989 8.629 0.360 1
1 657 . 7 1 1 A 58 58 ILE CA C 58 61.138 59.279 1.859 1
1 658 . 7 1 1 A 58 58 ILE HA H 58 4.001 4.491 -0.490 1
1 659 . 7 1 1 A 58 58 ILE CB C 58 41.349 40.996 0.353 1
1 671 . 7 1 1 A 58 58 ILE C C 58 173.046 174.494 -1.448 1
1 673 . 7 1 1 A 59 59 CYS N N 59 126.838 124.598 2.240 1
1 674 . 7 1 1 A 59 59 CYS H H 59 8.844 8.951 -0.107 1
1 675 . 7 1 1 A 59 59 CYS CA C 59 56.902 57.048 -0.146 1
1 676 . 7 1 1 A 59 59 CYS HA H 59 5.044 5.456 -0.412 1
1 677 . 7 1 1 A 59 59 CYS CB C 59 28.363 29.753 -1.390 1
1 679 . 7 1 1 A 59 59 CYS C C 59 173.375 173.564 -0.189 1
1 681 . 7 1 1 A 60 60 GLN N N 60 126.903 123.386 3.517 1
1 682 . 7 1 1 A 60 60 GLN H H 60 8.929 8.843 0.086 1
1 683 . 7 1 1 A 60 60 GLN CA C 60 54.162 54.310 -0.148 1
1 684 . 7 1 1 A 60 60 GLN HA H 60 4.656 5.117 -0.461 1
1 685 . 7 1 1 A 60 60 GLN CB C 60 31.991 32.728 -0.737 1
1 691 . 7 1 1 A 60 60 GLN C C 60 174.000 174.709 -0.709 1
1 694 . 7 1 1 A 61 61 ALA N N 61 124.049 121.729 2.320 1
1 695 . 7 1 1 A 61 61 ALA H H 61 8.178 8.370 -0.192 1
1 696 . 7 1 1 A 61 61 ALA CA C 61 50.160 50.907 -0.747 1
1 697 . 7 1 1 A 61 61 ALA HA H 61 5.192 5.313 -0.121 1
1 698 . 7 1 1 A 61 61 ALA CB C 61 23.419 24.086 -0.667 1
1 702 . 7 1 1 A 61 61 ALA C C 61 175.076 175.160 -0.084 1
1 703 . 7 1 1 A 62 62 ALA N N 62 121.362 121.058 0.304 1
1 704 . 7 1 1 A 62 62 ALA H H 62 8.488 8.421 0.067 1
1 705 . 7 1 1 A 62 62 ALA CA C 62 51.309 51.143 0.166 1
1 706 . 7 1 1 A 62 62 ALA HA H 62 4.667 5.194 -0.527 1
1 707 . 7 1 1 A 62 62 ALA CB C 62 22.617 22.545 0.072 1
1 711 . 7 1 1 A 62 62 ALA C C 62 176.013 175.939 0.074 1
1 712 . 7 1 1 A 63 63 VAL N N 63 113.572 117.036 -3.464 1
1 713 . 7 1 1 A 63 63 VAL H H 63 8.271 8.664 -0.393 1
1 714 . 7 1 1 A 63 63 VAL CA C 63 57.691 57.954 -0.263 1
1 715 . 7 1 1 A 63 63 VAL HA H 63 5.045 4.912 0.133 1
1 716 . 7 1 1 A 63 63 VAL CB C 63 32.968 33.859 -0.891 1
1 726 . 7 1 1 A 63 63 VAL C C 63 173.707 173.728 -0.021 1
1 727 . 7 1 1 A 64 64 PRO CA C 64 62.757 62.490 0.267 1
1 728 . 7 1 1 A 64 64 PRO HA H 64 4.459 4.593 -0.134 1
1 729 . 7 1 1 A 64 64 PRO CB C 64 32.728 32.521 0.207 1
1 735 . 7 1 1 A 64 64 PRO C C 64 176.348 177.482 -1.134 1
1 739 . 7 1 1 A 65 65 LYS N N 65 118.624 123.440 -4.816 1
1 740 . 7 1 1 A 65 65 LYS H H 65 8.323 8.542 -0.219 1
1 741 . 7 1 1 A 65 65 LYS CA C 65 58.516 59.992 -1.476 1
1 742 . 7 1 1 A 65 65 LYS HA H 65 4.183 3.873 0.310 1
1 743 . 7 1 1 A 65 65 LYS CB C 65 32.320 32.152 0.168 1
1 751 . 7 1 1 A 65 65 LYS C C 65 176.595 178.554 -1.959 1
1 756 . 7 1 1 A 66 66 SER N N 66 111.762 113.848 -2.086 1
1 757 . 7 1 1 A 66 66 SER H H 66 7.779 8.217 -0.438 1
1 758 . 7 1 1 A 66 66 SER CA C 66 59.298 61.692 -2.394 1
1 759 . 7 1 1 A 66 66 SER HA H 66 4.234 4.198 0.036 1
1 760 . 7 1 1 A 66 66 SER CB C 66 62.984 62.684 0.300 1
1 762 . 7 1 1 A 66 66 SER C C 66 174.137 174.808 -0.671 1
1 764 . 7 1 1 A 67 67 LEU N N 67 124.569 120.263 4.306 1
1 765 . 7 1 1 A 67 67 LEU H H 67 8.109 7.995 0.114 1
1 766 . 7 1 1 A 67 67 LEU CA C 67 54.940 53.170 1.770 1
1 767 . 7 1 1 A 67 67 LEU HA H 67 4.836 5.097 -0.261 1
1 768 . 7 1 1 A 67 67 LEU CB C 67 43.882 45.475 -1.593 1
1 780 . 7 1 1 A 67 67 LEU C C 67 174.925 175.418 -0.493 1
1 782 . 7 1 1 A 68 68 GLN N N 68 117.163 121.057 -3.894 1
1 783 . 7 1 1 A 68 68 GLN H H 68 8.063 8.911 -0.848 1
1 784 . 7 1 1 A 68 68 GLN CA C 68 54.829 54.140 0.689 1
1 785 . 7 1 1 A 68 68 GLN HA H 68 4.674 5.235 -0.561 1
1 786 . 7 1 1 A 68 68 GLN CB C 68 31.579 32.187 -0.608 1
1 793 . 7 1 1 A 68 68 GLN C C 68 174.077 174.159 -0.082 1
1 796 . 7 1 1 A 69 69 LEU N N 69 126.046 123.782 2.264 1
1 797 . 7 1 1 A 69 69 LEU H H 69 8.676 8.730 -0.054 1
1 798 . 7 1 1 A 69 69 LEU CA C 69 54.073 53.929 0.144 1
1 799 . 7 1 1 A 69 69 LEU HA H 69 5.231 5.021 0.210 1
1 800 . 7 1 1 A 69 69 LEU CB C 69 45.602 46.325 -0.723 1
1 811 . 7 1 1 A 69 69 LEU C C 69 175.497 174.586 0.911 1
1 813 . 7 1 1 A 70 70 GLN N N 70 126.758 124.835 1.923 1
1 814 . 7 1 1 A 70 70 GLN H H 70 9.410 8.978 0.432 1
1 815 . 7 1 1 A 70 70 GLN CA C 70 54.657 54.408 0.249 1
1 816 . 7 1 1 A 70 70 GLN HA H 70 4.746 4.988 -0.242 1
1 817 . 7 1 1 A 70 70 GLN CB C 70 31.537 32.565 -1.028 1
1 824 . 7 1 1 A 70 70 GLN C C 70 174.686 173.527 1.159 1
1 827 . 7 1 1 A 71 71 LEU N N 71 126.413 128.073 -1.660 1
1 828 . 7 1 1 A 71 71 LEU H H 71 8.936 8.683 0.253 1
1 829 . 7 1 1 A 71 71 LEU CA C 71 55.294 53.876 1.418 1
1 830 . 7 1 1 A 71 71 LEU HA H 71 4.752 4.669 0.083 1
1 831 . 7 1 1 A 71 71 LEU CB C 71 43.898 43.598 0.300 1
1 843 . 7 1 1 A 71 71 LEU C C 71 176.498 174.924 1.574 1
1 845 . 7 1 1 A 72 72 GLN N N 72 121.553 127.504 -5.951 1
1 846 . 7 1 1 A 72 72 GLN H H 72 8.100 8.033 0.067 1
1 847 . 7 1 1 A 72 72 GLN CA C 72 54.209 54.642 -0.433 1
1 848 . 7 1 1 A 72 72 GLN HA H 72 4.589 4.601 -0.012 1
1 849 . 7 1 1 A 72 72 GLN CB C 72 31.142 30.249 0.893 1
1 856 . 7 1 1 A 72 72 GLN C C 72 174.254 175.439 -1.185 1
1 859 . 7 1 1 A 73 73 ALA N N 73 124.262 127.381 -3.119 1
1 860 . 7 1 1 A 73 73 ALA H H 73 8.452 8.435 0.017 1
1 861 . 7 1 1 A 73 73 ALA CA C 73 51.211 50.707 0.504 1
1 862 . 7 1 1 A 73 73 ALA HA H 73 4.500 4.214 0.286 1
1 863 . 7 1 1 A 73 73 ALA CB C 73 17.185 18.377 -1.192 1
1 867 . 7 1 1 A 73 73 ALA C C 73 176.548 175.812 0.736 1
1 868 . 7 1 1 A 74 74 PRO CA C 74 62.160 62.341 -0.181 1
1 869 . 7 1 1 A 74 74 PRO HA H 74 4.848 4.580 0.268 1
1 870 . 7 1 1 A 74 74 PRO CB C 74 32.897 33.252 -0.355 1
1 874 . 7 1 1 A 74 74 PRO C C 74 177.266 176.320 0.946 1
1 878 . 7 1 1 A 75 75 SER N N 75 115.398 115.531 -0.133 1
1 879 . 7 1 1 A 75 75 SER H H 75 9.293 8.778 0.515 1
1 880 . 7 1 1 A 75 75 SER CA C 75 61.024 58.707 2.317 1
1 881 . 7 1 1 A 75 75 SER HA H 75 4.154 4.585 -0.431 1
1 882 . 7 1 1 A 75 75 SER CB C 75 62.867 65.088 -2.221 1
1 884 . 7 1 1 A 75 75 SER C C 75 174.460 174.227 0.233 1
1 886 . 7 1 1 A 76 76 GLY N N 76 106.233 107.680 -1.447 1
1 887 . 7 1 1 A 76 76 GLY H H 76 7.208 7.275 -0.067 1
1 888 . 7 1 1 A 76 76 GLY CA C 76 44.930 45.753 -0.823 1
1 889 . 7 1 1 A 76 76 GLY HA3 H 76 4.306 4.082 0.224 1
1 890 . 7 1 1 A 76 76 GLY C C 76 171.327 174.165 -2.838 1
1 891 . 7 1 1 A 76 76 GLY HA2 H 76 4.095 4.079 0.016 1
1 892 . 7 1 1 A 77 77 ASN CA C 77 53.060 55.765 -2.705 1
1 893 . 7 1 1 A 77 77 ASN HA H 77 5.001 4.447 0.554 1
1 894 . 7 1 1 A 77 77 ASN CB C 77 40.650 37.963 2.687 1
1 899 . 7 1 1 A 77 77 ASN C C 77 173.427 176.424 -2.997 1
1 901 . 7 1 1 A 78 78 THR N N 78 114.705 115.435 -0.730 1
1 902 . 7 1 1 A 78 78 THR H H 78 7.579 7.678 -0.099 1
1 903 . 7 1 1 A 78 78 THR CA C 78 59.766 63.236 -3.470 1
1 904 . 7 1 1 A 78 78 THR HA H 78 5.174 4.303 0.871 1
1 905 . 7 1 1 A 78 78 THR CB C 78 71.855 69.957 1.898 1
1 911 . 7 1 1 A 78 78 THR C C 78 173.138 174.689 -1.551 1
1 912 . 7 1 1 A 79 79 VAL N N 79 123.606 125.859 -2.253 1
1 913 . 7 1 1 A 79 79 VAL H H 79 8.696 8.698 -0.002 1
1 914 . 7 1 1 A 79 79 VAL CA C 79 58.982 58.859 0.123 1
1 915 . 7 1 1 A 79 79 VAL HA H 79 4.495 4.477 0.018 1
1 916 . 7 1 1 A 79 79 VAL CB C 79 32.717 35.360 -2.643 1
1 926 . 7 1 1 A 79 79 VAL C C 79 174.289 173.768 0.521 1
1 927 . 7 1 1 A 80 80 PRO CA C 80 63.184 62.814 0.370 1
1 928 . 7 1 1 A 80 80 PRO HA H 80 4.160 4.682 -0.522 1
1 929 . 7 1 1 A 80 80 PRO CB C 80 33.128 32.654 0.474 1
1 935 . 7 1 1 A 80 80 PRO C C 80 174.009 176.326 -2.317 1
1 939 . 7 1 1 A 81 81 ALA N N 81 120.000 123.001 -3.001 1
1 940 . 7 1 1 A 81 81 ALA H H 81 8.371 8.280 0.091 1
1 941 . 7 1 1 A 81 81 ALA CA C 81 51.951 52.489 -0.538 1
1 942 . 7 1 1 A 81 81 ALA HA H 81 3.715 4.284 -0.569 1
1 943 . 7 1 1 A 81 81 ALA CB C 81 20.029 19.791 0.238 1
1 947 . 7 1 1 A 81 81 ALA C C 81 176.740 177.361 -0.621 1
1 948 . 7 1 1 A 82 82 ARG N N 82 111.901 117.573 -5.672 1
1 949 . 7 1 1 A 82 82 ARG H H 82 8.724 7.621 1.103 1
1 950 . 7 1 1 A 82 82 ARG CA C 82 57.062 55.063 1.999 1
1 951 . 7 1 1 A 82 82 ARG HA H 82 3.665 4.508 -0.843 1
1 952 . 7 1 1 A 82 82 ARG CB C 82 26.959 29.979 -3.020 1
1 958 . 7 1 1 A 82 82 ARG C C 82 176.777 175.773 1.004 1
1 962 . 7 1 1 A 83 83 GLY N N 83 107.610 109.631 -2.021 1
1 963 . 7 1 1 A 83 83 GLY H H 83 9.251 7.841 1.410 1
1 964 . 7 1 1 A 83 83 GLY CA C 83 46.389 46.802 -0.413 1
1 965 . 7 1 1 A 83 83 GLY HA3 H 83 3.731 4.059 -0.328 1
1 966 . 7 1 1 A 83 83 GLY C C 83 176.193 174.433 1.760 1
1 967 . 7 1 1 A 83 83 GLY HA2 H 83 3.352 3.336 0.016 1
1 968 . 7 1 1 A 84 84 GLY N N 84 106.030 109.142 -3.112 1
1 969 . 7 1 1 A 84 84 GLY H H 84 7.015 7.991 -0.976 1
1 970 . 7 1 1 A 84 84 GLY CA C 84 45.272 44.386 0.886 1
1 971 . 7 1 1 A 84 84 GLY HA3 H 84 3.537 4.006 -0.469 1
1 972 . 7 1 1 A 84 84 GLY C C 84 171.651 172.797 -1.146 1
1 973 . 7 1 1 A 84 84 GLY HA2 H 84 3.891 3.969 -0.078 1
1 974 . 7 1 1 A 85 85 LEU N N 85 120.524 122.601 -2.077 1
1 975 . 7 1 1 A 85 85 LEU H H 85 7.903 8.188 -0.285 1
1 976 . 7 1 1 A 85 85 LEU CA C 85 53.494 50.956 2.538 1
1 977 . 7 1 1 A 85 85 LEU HA H 85 4.346 4.931 -0.585 1
1 978 . 7 1 1 A 85 85 LEU CB C 85 42.901 45.034 -2.133 1
1 990 . 7 1 1 A 85 85 LEU C C 85 174.362 174.830 -0.468 1
1 992 . 7 1 1 A 86 86 PRO CA C 86 62.752 62.340 0.412 1
1 993 . 7 1 1 A 86 86 PRO HA H 86 4.570 4.941 -0.371 1
1 994 . 7 1 1 A 86 86 PRO CB C 86 33.557 32.452 1.105 1
1 1000 . 7 1 1 A 86 86 PRO C C 86 178.338 175.772 2.566 1
1 1004 . 7 1 1 A 87 87 ILE N N 87 118.504 122.127 -3.623 1
1 1005 . 7 1 1 A 87 87 ILE H H 87 7.544 8.528 -0.984 1
1 1006 . 7 1 1 A 87 87 ILE CA C 87 60.571 60.959 -0.388 1
1 1007 . 7 1 1 A 87 87 ILE HA H 87 4.021 4.517 -0.496 1
1 1008 . 7 1 1 A 87 87 ILE CB C 87 40.787 39.253 1.534 1
1 1020 . 7 1 1 A 87 87 ILE C C 87 175.620 175.830 -0.210 1
1 1022 . 7 1 1 A 88 88 THR N N 88 115.839 118.378 -2.539 1
1 1023 . 7 1 1 A 88 88 THR H H 88 8.788 9.050 -0.262 1
1 1024 . 7 1 1 A 88 88 THR CA C 88 58.935 60.368 -1.433 1
1 1025 . 7 1 1 A 88 88 THR HA H 88 5.678 5.642 0.036 1
1 1026 . 7 1 1 A 88 88 THR CB C 88 72.532 71.420 1.112 1
1 1032 . 7 1 1 A 88 88 THR C C 88 174.318 173.652 0.666 1
1 1033 . 7 1 1 A 89 89 GLN N N 89 121.295 121.795 -0.500 1
1 1034 . 7 1 1 A 89 89 GLN H H 89 8.399 8.872 -0.473 1
1 1035 . 7 1 1 A 89 89 GLN CA C 89 56.259 54.113 2.146 1
1 1036 . 7 1 1 A 89 89 GLN HA H 89 4.528 4.795 -0.267 1
1 1037 . 7 1 1 A 89 89 GLN CB C 89 30.760 31.879 -1.119 1
1 1044 . 7 1 1 A 89 89 GLN C C 89 172.439 174.175 -1.736 1
1 1047 . 7 1 1 A 90 90 LEU N N 90 129.715 125.036 4.679 1
1 1048 . 7 1 1 A 90 90 LEU H H 90 8.426 8.309 0.117 1
1 1049 . 7 1 1 A 90 90 LEU CA C 90 54.513 54.028 0.485 1
1 1050 . 7 1 1 A 90 90 LEU HA H 90 5.103 4.755 0.348 1
1 1051 . 7 1 1 A 90 90 LEU CB C 90 44.412 44.034 0.378 1
1 1063 . 7 1 1 A 90 90 LEU C C 90 175.027 174.431 0.596 1
1 1065 . 7 1 1 A 91 91 PHE N N 91 123.227 124.391 -1.164 1
1 1066 . 7 1 1 A 91 91 PHE H H 91 9.647 8.630 1.017 1
1 1067 . 7 1 1 A 91 91 PHE CA C 91 55.327 56.274 -0.947 1
1 1068 . 7 1 1 A 91 91 PHE HA H 91 5.064 5.457 -0.393 1
1 1069 . 7 1 1 A 91 91 PHE CB C 91 40.899 41.851 -0.952 1
1 1081 . 7 1 1 A 91 91 PHE C C 91 174.296 174.682 -0.386 1
1 1083 . 7 1 1 A 92 92 ARG N N 92 121.174 124.033 -2.859 1
1 1084 . 7 1 1 A 92 92 ARG H H 92 8.726 8.952 -0.226 1
1 1085 . 7 1 1 A 92 92 ARG CA C 92 55.046 55.984 -0.938 1
1 1086 . 7 1 1 A 92 92 ARG HA H 92 5.109 4.778 0.331 1
1 1087 . 7 1 1 A 92 92 ARG CB C 92 32.524 30.975 1.549 1
1 1093 . 7 1 1 A 92 92 ARG C C 92 175.154 175.161 -0.007 1
1 1097 . 7 1 1 A 93 93 ILE N N 93 126.629 125.155 1.474 1
1 1098 . 7 1 1 A 93 93 ILE H H 93 9.599 8.752 0.847 1
1 1099 . 7 1 1 A 93 93 ILE CA C 93 59.538 59.669 -0.131 1
1 1100 . 7 1 1 A 93 93 ILE HA H 93 5.206 5.241 -0.035 1
1 1101 . 7 1 1 A 93 93 ILE CB C 93 40.963 41.621 -0.658 1
1 1113 . 7 1 1 A 93 93 ILE C C 93 174.400 174.747 -0.347 1
1 1115 . 7 1 1 A 94 94 LEU N N 94 127.940 127.059 0.881 1
1 1116 . 7 1 1 A 94 94 LEU H H 94 8.853 9.018 -0.165 1
1 1117 . 7 1 1 A 94 94 LEU CA C 94 53.673 53.918 -0.245 1
1 1118 . 7 1 1 A 94 94 LEU HA H 94 5.152 4.917 0.235 1
1 1119 . 7 1 1 A 94 94 LEU CB C 94 44.245 42.268 1.977 1
1 1131 . 7 1 1 A 94 94 LEU C C 94 176.106 176.005 0.101 1
1 1133 . 7 1 1 A 95 95 ASN N N 95 119.567 122.796 -3.229 1
1 1134 . 7 1 1 A 95 95 ASN H H 95 9.271 9.008 0.263 1
1 1135 . 7 1 1 A 95 95 ASN CA C 95 49.634 51.057 -1.423 1
1 1136 . 7 1 1 A 95 95 ASN HA H 95 5.361 5.271 0.090 1
1 1137 . 7 1 1 A 95 95 ASN CB C 95 39.189 39.324 -0.135 1
1 1142 . 7 1 1 A 95 95 ASN C C 95 173.779 173.943 -0.164 1
1 1144 . 7 1 1 A 96 96 PRO CA C 96 64.795 64.242 0.553 1
1 1145 . 7 1 1 A 96 96 PRO HA H 96 4.306 4.532 -0.226 1
1 1146 . 7 1 1 A 96 96 PRO CB C 96 32.010 31.770 0.240 1
1 1152 . 7 1 1 A 96 96 PRO C C 96 177.656 177.386 0.270 1
1 1156 . 7 1 1 A 97 97 ASN N N 97 114.343 115.085 -0.742 1
1 1157 . 7 1 1 A 97 97 ASN H H 97 8.840 7.757 1.083 1
1 1158 . 7 1 1 A 97 97 ASN CA C 97 52.889 52.879 0.010 1
1 1159 . 7 1 1 A 97 97 ASN HA H 97 4.828 4.796 0.032 1
1 1160 . 7 1 1 A 97 97 ASN CB C 97 38.085 39.051 -0.966 1
1 1165 . 7 1 1 A 97 97 ASN C C 97 174.361 175.113 -0.752 1
1 1167 . 7 1 1 A 98 98 LYS N N 98 118.175 116.300 1.875 1
1 1168 . 7 1 1 A 98 98 LYS H H 98 7.735 7.700 0.035 1
1 1169 . 7 1 1 A 98 98 LYS CA C 98 57.625 57.291 0.334 1
1 1170 . 7 1 1 A 98 98 LYS HA H 98 3.780 3.899 -0.119 1
1 1171 . 7 1 1 A 98 98 LYS CB C 98 29.343 29.317 0.026 1
1 1179 . 7 1 1 A 98 98 LYS C C 98 174.779 174.936 -0.157 1
1 1184 . 7 1 1 A 99 99 ALA N N 99 122.321 121.351 0.970 1
1 1185 . 7 1 1 A 99 99 ALA H H 99 8.454 7.910 0.544 1
1 1186 . 7 1 1 A 99 99 ALA CA C 99 49.893 49.005 0.888 1
1 1187 . 7 1 1 A 99 99 ALA HA H 99 4.415 4.589 -0.174 1
1 1188 . 7 1 1 A 99 99 ALA CB C 99 18.125 20.185 -2.060 1
1 1192 . 7 1 1 A 99 99 ALA C C 99 175.018 176.214 -1.196 1
1 1193 . 7 1 1 A 100 100 PRO CA C 100 62.082 62.541 -0.459 1
1 1194 . 7 1 1 A 100 100 PRO CB C 100 31.068 31.597 -0.529 1
1 1203 . 7 1 1 A 101 101 LEU H H 101 5.223 8.783 -3.560 1
1 1204 . 7 1 1 A 101 101 LEU CA C 101 55.181 53.250 1.931 1
1 1205 . 7 1 1 A 101 101 LEU HA H 101 3.758 4.895 -1.137 1
1 1206 . 7 1 1 A 101 101 LEU CB C 101 43.103 44.681 -1.578 1
1 1218 . 7 1 1 A 101 101 LEU C C 101 174.350 176.546 -2.196 1
1 1220 . 7 1 1 A 102 102 ARG N N 102 122.304 117.872 4.432 1
1 1221 . 7 1 1 A 102 102 ARG H H 102 6.412 8.683 -2.271 1
1 1222 . 7 1 1 A 102 102 ARG CA C 102 54.659 54.690 -0.031 1
1 1223 . 7 1 1 A 102 102 ARG HA H 102 4.500 5.045 -0.545 1
1 1224 . 7 1 1 A 102 102 ARG CB C 102 33.168 32.830 0.338 1
1 1230 . 7 1 1 A 102 102 ARG C C 102 173.625 174.391 -0.766 1
1 1234 . 7 1 1 A 103 103 LEU N N 103 119.849 122.151 -2.302 1
1 1235 . 7 1 1 A 103 103 LEU H H 103 8.301 8.694 -0.393 1
1 1236 . 7 1 1 A 103 103 LEU CA C 103 53.667 53.574 0.093 1
1 1237 . 7 1 1 A 103 103 LEU HA H 103 4.886 5.088 -0.202 1
1 1238 . 7 1 1 A 103 103 LEU CB C 103 47.097 46.600 0.497 1
1 1250 . 7 1 1 A 103 103 LEU C C 103 173.874 173.776 0.098 1
1 1252 . 7 1 1 A 104 104 LYS N N 104 126.165 126.003 0.162 1
1 1253 . 7 1 1 A 104 104 LYS H H 104 8.516 8.768 -0.252 1
1 1254 . 7 1 1 A 104 104 LYS CA C 104 55.117 54.644 0.473 1
1 1255 . 7 1 1 A 104 104 LYS HA H 104 4.773 5.208 -0.435 1
1 1256 . 7 1 1 A 104 104 LYS CB C 104 34.581 34.986 -0.405 1
1 1264 . 7 1 1 A 104 104 LYS C C 104 174.980 174.854 0.126 1
1 1269 . 7 1 1 A 105 105 LEU N N 105 125.172 126.787 -1.615 1
1 1270 . 7 1 1 A 105 105 LEU H H 105 8.586 8.711 -0.125 1
1 1271 . 7 1 1 A 105 105 LEU CA C 105 53.059 53.107 -0.048 1
1 1272 . 7 1 1 A 105 105 LEU HA H 105 4.923 4.923 0.000 1
1 1273 . 7 1 1 A 105 105 LEU CB C 105 44.358 44.311 0.047 1
1 1285 . 7 1 1 A 105 105 LEU C C 105 174.037 174.725 -0.688 1
1 1287 . 7 1 1 A 106 106 ARG N N 106 119.880 126.020 -6.140 1
1 1288 . 7 1 1 A 106 106 ARG H H 106 8.363 9.281 -0.918 1
1 1289 . 7 1 1 A 106 106 ARG CA C 106 54.374 54.386 -0.012 1
1 1290 . 7 1 1 A 106 106 ARG HA H 106 4.926 4.851 0.075 1
1 1291 . 7 1 1 A 106 106 ARG CB C 106 32.783 33.371 -0.588 1
1 1297 . 7 1 1 A 106 106 ARG C C 106 174.611 174.340 0.271 1
1 1301 . 7 1 1 A 107 107 LEU N N 107 128.498 127.224 1.274 1
1 1302 . 7 1 1 A 107 107 LEU H H 107 9.260 8.975 0.285 1
1 1303 . 7 1 1 A 107 107 LEU CA C 107 52.942 53.713 -0.771 1
1 1304 . 7 1 1 A 107 107 LEU HA H 107 5.110 5.231 -0.121 1
1 1305 . 7 1 1 A 107 107 LEU CB C 107 45.279 44.840 0.439 1
1 1317 . 7 1 1 A 107 107 LEU C C 107 175.494 175.390 0.104 1
1 1319 . 7 1 1 A 108 108 THR N N 108 114.947 115.509 -0.562 1
1 1320 . 7 1 1 A 108 108 THR H H 108 8.424 8.345 0.079 1
1 1321 . 7 1 1 A 108 108 THR CA C 108 59.201 60.626 -1.425 1
1 1322 . 7 1 1 A 108 108 THR HA H 108 5.344 5.175 0.169 1
1 1323 . 7 1 1 A 108 108 THR CB C 108 71.413 71.281 0.132 1
1 1329 . 7 1 1 A 108 108 THR C C 108 172.424 172.653 -0.229 1
1 1330 . 7 1 1 A 109 109 TYR N N 109 114.691 120.085 -5.394 1
1 1331 . 7 1 1 A 109 109 TYR H H 109 8.056 8.195 -0.139 1
1 1332 . 7 1 1 A 109 109 TYR CA C 109 57.133 56.054 1.079 1
1 1333 . 7 1 1 A 109 109 TYR HA H 109 4.769 5.233 -0.464 1
1 1334 . 7 1 1 A 109 109 TYR CB C 109 38.008 40.444 -2.436 1
1 1344 . 7 1 1 A 109 109 TYR C C 109 171.790 171.975 -0.185 1
1 1346 . 7 1 1 A 110 110 ASP N N 110 119.179 120.150 -0.971 1
1 1347 . 7 1 1 A 110 110 ASP H H 110 9.332 9.045 0.287 1
1 1348 . 7 1 1 A 110 110 ASP CA C 110 53.147 53.562 -0.415 1
1 1349 . 7 1 1 A 110 110 ASP HA H 110 5.855 5.917 -0.062 1
1 1350 . 7 1 1 A 110 110 ASP CB C 110 42.179 43.700 -1.521 1
1 1352 . 7 1 1 A 110 110 ASP C C 110 176.257 174.523 1.734 1
1 1354 . 7 1 1 A 111 111 HIS N N 111 122.092 124.146 -2.054 1
1 1355 . 7 1 1 A 111 111 HIS H H 111 8.993 9.382 -0.389 1
1 1356 . 7 1 1 A 111 111 HIS CA C 111 55.365 55.501 -0.136 1
1 1357 . 7 1 1 A 111 111 HIS HA H 111 4.768 5.110 -0.342 1
1 1358 . 7 1 1 A 111 111 HIS CB C 111 36.414 33.074 3.340 1
1 1364 . 7 1 1 A 111 111 HIS C C 111 175.420 174.639 0.781 1
1 1366 . 7 1 1 A 112 112 PHE N N 112 129.361 123.692 5.669 1
1 1367 . 7 1 1 A 112 112 PHE H H 112 10.128 9.669 0.459 1
1 1368 . 7 1 1 A 112 112 PHE CA C 112 59.353 58.797 0.556 1
1 1369 . 7 1 1 A 112 112 PHE HA H 112 3.972 3.874 0.098 1
1 1370 . 7 1 1 A 112 112 PHE CB C 112 36.136 36.710 -0.574 1
1 1382 . 7 1 1 A 112 112 PHE C C 112 175.288 175.019 0.269 1
1 1384 . 7 1 1 A 113 113 HIS N N 113 109.753 109.147 0.606 1
1 1385 . 7 1 1 A 113 113 HIS H H 113 8.856 8.341 0.515 1
1 1386 . 7 1 1 A 113 113 HIS CA C 113 57.593 56.723 0.870 1
1 1387 . 7 1 1 A 113 113 HIS HA H 113 4.168 4.175 -0.007 1
1 1388 . 7 1 1 A 113 113 HIS CB C 113 27.575 26.860 0.715 1
1 1394 . 7 1 1 A 113 113 HIS C C 113 174.146 173.885 0.261 1
1 1396 . 7 1 1 A 114 114 GLN N N 114 118.510 116.799 1.711 1
1 1397 . 7 1 1 A 114 114 GLN H H 114 7.930 7.631 0.299 1
1 1398 . 7 1 1 A 114 114 GLN CA C 114 54.303 54.721 -0.418 1
1 1399 . 7 1 1 A 114 114 GLN HA H 114 4.674 4.820 -0.146 1
1 1400 . 7 1 1 A 114 114 GLN CB C 114 31.548 32.759 -1.211 1
1 1407 . 7 1 1 A 114 114 GLN C C 114 174.702 174.305 0.397 1
1 1410 . 7 1 1 A 115 115 SER N N 115 118.183 119.464 -1.281 1
1 1411 . 7 1 1 A 115 115 SER H H 115 8.528 8.763 -0.235 1
1 1412 . 7 1 1 A 115 115 SER CA C 115 57.665 57.465 0.200 1
1 1413 . 7 1 1 A 115 115 SER HA H 115 5.112 4.868 0.244 1
1 1414 . 7 1 1 A 115 115 SER CB C 115 63.266 63.746 -0.480 1
1 1416 . 7 1 1 A 115 115 SER C C 115 174.157 173.809 0.348 1
1 1418 . 7 1 1 A 116 116 VAL N N 116 130.788 127.998 2.790 1
1 1419 . 7 1 1 A 116 116 VAL H H 116 9.445 9.088 0.357 1
1 1420 . 7 1 1 A 116 116 VAL CA C 116 62.375 61.395 0.980 1
1 1421 . 7 1 1 A 116 116 VAL HA H 116 3.870 4.563 -0.693 1
1 1422 . 7 1 1 A 116 116 VAL CB C 116 32.564 33.302 -0.738 1
1 1432 . 7 1 1 A 116 116 VAL C C 116 175.674 173.716 1.958 1
1 1433 . 7 1 1 A 117 117 GLN N N 117 127.278 129.587 -2.309 1
1 1434 . 7 1 1 A 117 117 GLN H H 117 8.612 9.087 -0.475 1
1 1435 . 7 1 1 A 117 117 GLN CA C 117 55.004 54.131 0.873 1
1 1436 . 7 1 1 A 117 117 GLN HA H 117 5.170 4.812 0.358 1
1 1437 . 7 1 1 A 117 117 GLN CB C 117 31.166 30.448 0.718 1
1 1444 . 7 1 1 A 117 117 GLN C C 117 174.229 174.748 -0.519 1
1 1447 . 7 1 1 A 118 118 GLU N N 118 125.633 125.950 -0.317 1
1 1448 . 7 1 1 A 118 118 GLU H H 118 8.960 8.487 0.473 1
1 1449 . 7 1 1 A 118 118 GLU CA C 118 54.799 54.810 -0.011 1
1 1450 . 7 1 1 A 118 118 GLU HA H 118 4.869 5.235 -0.366 1
1 1451 . 7 1 1 A 118 118 GLU CB C 118 33.675 32.937 0.738 1
1 1455 . 7 1 1 A 118 118 GLU C C 118 174.340 175.217 -0.877 1
1 1458 . 7 1 1 A 119 119 ILE N N 119 123.525 124.064 -0.539 1
1 1459 . 7 1 1 A 119 119 ILE H H 119 8.683 8.962 -0.279 1
1 1460 . 7 1 1 A 119 119 ILE CA C 119 60.005 60.238 -0.233 1
1 1461 . 7 1 1 A 119 119 ILE HA H 119 5.157 4.739 0.418 1
1 1462 . 7 1 1 A 119 119 ILE CB C 119 40.761 40.690 0.071 1
1 1474 . 7 1 1 A 119 119 ILE C C 119 175.386 175.353 0.033 1
1 1476 . 7 1 1 A 120 120 PHE N N 120 122.954 123.569 -0.615 1
1 1477 . 7 1 1 A 120 120 PHE H H 120 8.647 8.043 0.604 1
1 1478 . 7 1 1 A 120 120 PHE CA C 120 55.754 54.979 0.775 1
1 1479 . 7 1 1 A 120 120 PHE HA H 120 5.064 5.687 -0.623 1
1 1480 . 7 1 1 A 120 120 PHE CB C 120 39.904 42.237 -2.333 1
1 1492 . 7 1 1 A 120 120 PHE C C 120 172.536 173.119 -0.583 1
1 1494 . 7 1 1 A 121 121 GLU N N 121 120.205 119.495 0.710 1
1 1495 . 7 1 1 A 121 121 GLU H H 121 8.807 8.884 -0.077 1
1 1496 . 7 1 1 A 121 121 GLU CA C 121 54.976 54.996 -0.020 1
1 1497 . 7 1 1 A 121 121 GLU HA H 121 4.795 4.924 -0.129 1
1 1498 . 7 1 1 A 121 121 GLU CB C 121 31.537 33.189 -1.652 1
1 1502 . 7 1 1 A 121 121 GLU C C 121 175.979 175.695 0.284 1
1 1505 . 7 1 1 A 122 122 VAL N N 122 124.567 124.865 -0.298 1
1 1506 . 7 1 1 A 122 122 VAL H H 122 8.818 8.800 0.018 1
1 1507 . 7 1 1 A 122 122 VAL CA C 122 62.536 63.459 -0.923 1
1 1508 . 7 1 1 A 122 122 VAL HA H 122 4.300 4.130 0.170 1
1 1509 . 7 1 1 A 122 122 VAL CB C 122 32.136 31.682 0.454 1
1 1519 . 7 1 1 A 122 122 VAL C C 122 175.324 176.988 -1.664 1
1 1520 . 7 1 1 A 123 123 ASN N N 123 125.013 120.457 4.556 1
1 1521 . 7 1 1 A 123 123 ASN H H 123 8.770 8.723 0.047 1
1 1522 . 7 1 1 A 123 123 ASN CA C 123 52.889 52.330 0.559 1
1 1523 . 7 1 1 A 123 123 ASN HA H 123 5.072 5.161 -0.089 1
1 1524 . 7 1 1 A 123 123 ASN CB C 123 40.114 40.326 -0.212 1
1 1529 . 7 1 1 A 123 123 ASN C C 123 174.799 175.858 -1.059 1
1 1531 . 7 1 1 A 124 124 ASN N N 124 117.247 116.031 1.216 1
1 1532 . 7 1 1 A 124 124 ASN H H 124 8.599 8.396 0.203 1
1 1533 . 7 1 1 A 124 124 ASN CA C 124 52.853 52.446 0.407 1
1 1534 . 7 1 1 A 124 124 ASN HA H 124 4.721 4.796 -0.075 1
1 1535 . 7 1 1 A 124 124 ASN CB C 124 36.882 37.763 -0.881 1
1 1540 . 7 1 1 A 124 124 ASN C C 124 174.437 175.436 -0.999 1
1 1542 . 7 1 1 A 125 125 LEU N N 125 119.273 123.463 -4.190 1
1 1543 . 7 1 1 A 125 125 LEU H H 125 8.105 7.368 0.737 1
1 1544 . 7 1 1 A 125 125 LEU CA C 125 53.787 53.623 0.164 1
1 1545 . 7 1 1 A 125 125 LEU HA H 125 4.187 4.518 -0.331 1
1 1546 . 7 1 1 A 125 125 LEU CB C 125 40.398 40.932 -0.534 1
1 1558 . 7 1 1 A 125 125 LEU C C 125 175.528 174.701 0.827 1
1 1560 . 7 1 1 A 126 126 PRO CA C 126 62.439 62.427 0.012 1
1 1561 . 7 1 1 A 126 126 PRO HA H 126 4.519 4.485 0.034 1
1 1562 . 7 1 1 A 126 126 PRO CB C 126 31.210 32.909 -1.699 1
1 1568 . 7 1 1 A 126 126 PRO C C 126 179.073 176.119 2.954 1
1 1572 . 7 1 1 A 127 127 VAL N N 127 124.759 119.599 5.160 1
1 1573 . 7 1 1 A 127 127 VAL H H 127 8.794 8.108 0.686 1
1 1574 . 7 1 1 A 127 127 VAL CA C 127 64.360 63.879 0.481 1
1 1575 . 7 1 1 A 127 127 VAL HA H 127 3.216 3.795 -0.579 1
1 1576 . 7 1 1 A 127 127 VAL CB C 127 30.825 31.882 -1.057 1
1 1586 . 7 1 1 A 127 127 VAL C C 127 176.789 176.877 -0.088 1
1 1587 . 7 1 1 A 128 128 GLU N N 128 119.892 122.748 -2.856 1
1 1588 . 7 1 1 A 128 128 GLU H H 128 9.460 8.133 1.327 1
1 1589 . 7 1 1 A 128 128 GLU CA C 128 59.216 59.462 -0.246 1
1 1590 . 7 1 1 A 128 128 GLU HA H 128 3.831 3.706 0.125 1
1 1591 . 7 1 1 A 128 128 GLU CB C 128 29.188 29.096 0.092 1
1 1595 . 7 1 1 A 128 128 GLU C C 128 177.624 178.626 -1.002 1
1 1598 . 7 1 1 A 129 129 SER N N 129 112.727 113.616 -0.889 1
1 1599 . 7 1 1 A 129 129 SER H H 129 8.057 8.082 -0.025 1
1 1600 . 7 1 1 A 129 129 SER CA C 129 61.024 61.368 -0.344 1
1 1601 . 7 1 1 A 129 129 SER HA H 129 3.925 4.192 -0.267 1
1 1602 . 7 1 1 A 129 129 SER CB C 129 64.440 62.139 2.301 1
1 1604 . 7 1 1 A 129 129 SER C C 129 173.147 176.133 -2.986 1
1 1606 . 7 1 1 A 130 130 TRP N N 130 117.092 119.227 -2.135 1
1 1607 . 7 1 1 A 130 130 TRP H H 130 7.184 7.827 -0.643 1
1 1608 . 7 1 1 A 130 130 TRP CA C 130 57.027 58.322 -1.295 1
1 1609 . 7 1 1 A 130 130 TRP HA H 130 4.974 4.770 0.204 1
1 1610 . 7 1 1 A 130 130 TRP CB C 130 31.384 30.272 1.112 1
1 1624 . 7 1 1 A 130 130 TRP C C 130 174.759 177.261 -2.502 1
1 1 . 8 1 1 A 6 6 SER CA C 6 58.371 56.205 2.166 1
1 2 . 8 1 1 A 6 6 SER HA H 6 4.533 5.286 -0.753 1
1 3 . 8 1 1 A 6 6 SER CB C 6 63.994 65.970 -1.976 1
1 5 . 8 1 1 A 6 6 SER C C 6 174.472 173.188 1.284 1
1 7 . 8 1 1 A 7 7 GLY N N 7 110.741 107.935 2.806 1
1 8 . 8 1 1 A 7 7 GLY H H 7 8.209 8.348 -0.139 1
1 9 . 8 1 1 A 7 7 GLY CA C 7 44.501 44.405 0.096 1
1 10 . 8 1 1 A 7 7 GLY HA3 H 7 4.059 4.130 -0.071 1
1 11 . 8 1 1 A 7 7 GLY C C 7 171.084 172.624 -1.540 1
1 12 . 8 1 1 A 7 7 GLY HA2 H 7 4.155 4.129 0.026 1
1 13 . 8 1 1 A 8 8 PRO CA C 8 61.515 62.075 -0.560 1
1 14 . 8 1 1 A 8 8 PRO HA H 8 4.713 4.607 0.106 1
1 15 . 8 1 1 A 8 8 PRO CB C 8 30.760 32.143 -1.383 1
1 24 . 8 1 1 A 9 9 PRO HA H 9 4.724 4.582 0.142 1
1 30 . 8 1 1 A 10 10 PRO CA C 10 62.761 62.488 0.273 1
1 31 . 8 1 1 A 10 10 PRO HA H 10 4.389 4.631 -0.242 1
1 32 . 8 1 1 A 10 10 PRO CB C 10 32.082 33.170 -1.088 1
1 37 . 8 1 1 A 10 10 PRO C C 10 176.236 175.335 0.901 1
1 41 . 8 1 1 A 11 11 ALA N N 11 125.926 121.394 4.532 1
1 42 . 8 1 1 A 11 11 ALA H H 11 8.352 8.219 0.133 1
1 43 . 8 1 1 A 11 11 ALA CA C 11 50.343 49.449 0.894 1
1 44 . 8 1 1 A 11 11 ALA HA H 11 4.583 4.810 -0.227 1
1 45 . 8 1 1 A 11 11 ALA CB C 11 18.255 20.301 -2.046 1
1 49 . 8 1 1 A 11 11 ALA C C 11 175.479 175.151 0.328 1
1 50 . 8 1 1 A 12 12 PRO CA C 12 62.757 62.191 0.566 1
1 51 . 8 1 1 A 12 12 PRO HA H 12 4.386 4.582 -0.196 1
1 52 . 8 1 1 A 12 12 PRO CB C 12 32.104 33.081 -0.977 1
1 57 . 8 1 1 A 12 12 PRO C C 12 176.478 175.602 0.876 1
1 61 . 8 1 1 A 13 13 ILE N N 13 124.607 121.348 3.259 1
1 62 . 8 1 1 A 13 13 ILE H H 13 8.661 8.418 0.243 1
1 63 . 8 1 1 A 13 13 ILE CA C 13 59.081 58.567 0.514 1
1 64 . 8 1 1 A 13 13 ILE HA H 13 4.288 4.432 -0.144 1
1 65 . 8 1 1 A 13 13 ILE CB C 13 39.710 38.123 1.587 1
1 77 . 8 1 1 A 13 13 ILE C C 13 174.727 174.728 -0.001 1
1 79 . 8 1 1 A 14 14 PRO CA C 14 63.433 62.507 0.926 1
1 80 . 8 1 1 A 14 14 PRO HA H 14 4.457 4.506 -0.049 1
1 81 . 8 1 1 A 14 14 PRO CB C 14 32.428 32.243 0.185 1
1 86 . 8 1 1 A 14 14 PRO C C 14 175.380 176.491 -1.111 1
1 90 . 8 1 1 A 15 15 ASP N N 15 118.741 120.098 -1.357 1
1 91 . 8 1 1 A 15 15 ASP H H 15 8.042 8.497 -0.455 1
1 92 . 8 1 1 A 15 15 ASP CA C 15 54.213 54.056 0.157 1
1 93 . 8 1 1 A 15 15 ASP HA H 15 5.064 4.787 0.277 1
1 94 . 8 1 1 A 15 15 ASP CB C 15 41.793 41.300 0.493 1
1 96 . 8 1 1 A 15 15 ASP C C 15 176.413 175.597 0.816 1
1 98 . 8 1 1 A 16 16 LEU N N 16 121.451 122.584 -1.133 1
1 99 . 8 1 1 A 16 16 LEU H H 16 9.016 8.760 0.256 1
1 100 . 8 1 1 A 16 16 LEU CA C 16 53.914 53.629 0.285 1
1 101 . 8 1 1 A 16 16 LEU HA H 16 4.847 5.157 -0.310 1
1 102 . 8 1 1 A 16 16 LEU CB C 16 48.283 46.796 1.487 1
1 114 . 8 1 1 A 16 16 LEU C C 16 174.915 174.175 0.740 1
1 116 . 8 1 1 A 17 17 LYS N N 17 130.346 124.761 5.585 1
1 117 . 8 1 1 A 17 17 LYS H H 17 8.937 8.886 0.051 1
1 118 . 8 1 1 A 17 17 LYS CA C 17 57.027 54.775 2.252 1
1 119 . 8 1 1 A 17 17 LYS HA H 17 4.821 5.032 -0.211 1
1 120 . 8 1 1 A 17 17 LYS CB C 17 31.991 35.332 -3.341 1
1 128 . 8 1 1 A 17 17 LYS C C 17 177.744 176.663 1.081 1
1 133 . 8 1 1 A 18 18 VAL N N 18 116.605 121.815 -5.210 1
1 134 . 8 1 1 A 18 18 VAL H H 18 8.228 8.342 -0.114 1
1 135 . 8 1 1 A 18 18 VAL CA C 18 60.586 61.956 -1.370 1
1 136 . 8 1 1 A 18 18 VAL HA H 18 4.807 4.374 0.433 1
1 137 . 8 1 1 A 18 18 VAL CB C 18 33.601 33.714 -0.113 1
1 147 . 8 1 1 A 18 18 VAL C C 18 174.118 175.736 -1.618 1
1 148 . 8 1 1 A 19 19 PHE N N 19 120.586 121.278 -0.692 1
1 149 . 8 1 1 A 19 19 PHE H H 19 7.429 7.603 -0.174 1
1 150 . 8 1 1 A 19 19 PHE CA C 19 57.947 57.149 0.798 1
1 151 . 8 1 1 A 19 19 PHE HA H 19 4.544 4.628 -0.084 1
1 152 . 8 1 1 A 19 19 PHE CB C 19 43.455 42.494 0.961 1
1 162 . 8 1 1 A 19 19 PHE C C 19 172.947 172.997 -0.050 1
1 164 . 8 1 1 A 20 20 GLU N N 20 126.790 126.857 -0.067 1
1 165 . 8 1 1 A 20 20 GLU H H 20 7.620 8.305 -0.685 1
1 166 . 8 1 1 A 20 20 GLU CA C 20 55.117 55.085 0.032 1
1 167 . 8 1 1 A 20 20 GLU HA H 20 5.059 4.999 0.060 1
1 168 . 8 1 1 A 20 20 GLU CB C 20 32.091 32.698 -0.607 1
1 172 . 8 1 1 A 20 20 GLU C C 20 174.073 174.357 -0.284 1
1 175 . 8 1 1 A 21 21 ARG N N 21 125.153 126.389 -1.236 1
1 176 . 8 1 1 A 21 21 ARG H H 21 8.806 9.290 -0.484 1
1 177 . 8 1 1 A 21 21 ARG CA C 21 56.532 54.042 2.490 1
1 178 . 8 1 1 A 21 21 ARG HA H 21 4.234 4.850 -0.616 1
1 179 . 8 1 1 A 21 21 ARG CB C 21 33.707 33.607 0.100 1
1 185 . 8 1 1 A 21 21 ARG C C 21 176.293 176.768 -0.475 1
1 189 . 8 1 1 A 22 22 GLU N N 22 132.286 124.056 8.230 1
1 190 . 8 1 1 A 22 22 GLU H H 22 9.887 8.951 0.936 1
1 191 . 8 1 1 A 22 22 GLU CA C 22 57.271 59.060 -1.789 1
1 192 . 8 1 1 A 22 22 GLU HA H 22 3.968 4.051 -0.083 1
1 193 . 8 1 1 A 22 22 GLU CB C 22 28.595 29.375 -0.780 1
1 197 . 8 1 1 A 22 22 GLU C C 22 175.219 177.246 -2.027 1
1 200 . 8 1 1 A 23 23 GLY N N 23 103.445 108.296 -4.851 1
1 201 . 8 1 1 A 23 23 GLY H H 23 8.570 8.030 0.540 1
1 202 . 8 1 1 A 23 23 GLY CA C 23 45.698 46.052 -0.354 1
1 203 . 8 1 1 A 23 23 GLY HA3 H 23 4.242 4.298 -0.056 1
1 204 . 8 1 1 A 23 23 GLY C C 23 173.517 174.158 -0.641 1
1 205 . 8 1 1 A 23 23 GLY HA2 H 23 3.658 4.271 -0.613 1
1 206 . 8 1 1 A 24 24 VAL N N 24 124.489 120.543 3.946 1
1 207 . 8 1 1 A 24 24 VAL H H 24 8.016 7.696 0.320 1
1 208 . 8 1 1 A 24 24 VAL CA C 24 61.341 62.750 -1.409 1
1 209 . 8 1 1 A 24 24 VAL HA H 24 4.780 4.273 0.507 1
1 210 . 8 1 1 A 24 24 VAL CB C 24 32.051 32.448 -0.397 1
1 220 . 8 1 1 A 24 24 VAL C C 24 175.459 175.414 0.045 1
1 221 . 8 1 1 A 25 25 GLN N N 25 123.296 126.449 -3.153 1
1 222 . 8 1 1 A 25 25 GLN H H 25 8.446 8.929 -0.483 1
1 223 . 8 1 1 A 25 25 GLN CA C 25 53.879 54.322 -0.443 1
1 224 . 8 1 1 A 25 25 GLN HA H 25 5.378 5.326 0.052 1
1 225 . 8 1 1 A 25 25 GLN CB C 25 33.065 32.593 0.472 1
1 232 . 8 1 1 A 25 25 GLN C C 25 174.348 174.264 0.084 1
1 235 . 8 1 1 A 26 26 LEU N N 26 120.847 125.501 -4.654 1
1 236 . 8 1 1 A 26 26 LEU H H 26 8.579 9.432 -0.853 1
1 237 . 8 1 1 A 26 26 LEU CA C 26 53.914 53.642 0.272 1
1 238 . 8 1 1 A 26 26 LEU HA H 26 5.400 5.302 0.098 1
1 239 . 8 1 1 A 26 26 LEU CB C 26 47.336 46.217 1.119 1
1 251 . 8 1 1 A 26 26 LEU C C 26 174.842 174.696 0.146 1
1 253 . 8 1 1 A 27 27 ASN N N 27 124.346 124.339 0.007 1
1 254 . 8 1 1 A 27 27 ASN H H 27 8.738 9.050 -0.312 1
1 255 . 8 1 1 A 27 27 ASN CA C 27 52.063 51.613 0.450 1
1 256 . 8 1 1 A 27 27 ASN HA H 27 5.542 5.529 0.013 1
1 257 . 8 1 1 A 27 27 ASN CB C 27 43.866 42.045 1.821 1
1 262 . 8 1 1 A 27 27 ASN C C 27 173.520 173.210 0.310 1
1 264 . 8 1 1 A 28 28 LEU N N 28 124.198 126.075 -1.877 1
1 265 . 8 1 1 A 28 28 LEU H H 28 9.406 9.123 0.283 1
1 266 . 8 1 1 A 28 28 LEU CA C 28 53.773 53.321 0.452 1
1 267 . 8 1 1 A 28 28 LEU HA H 28 4.995 5.064 -0.069 1
1 268 . 8 1 1 A 28 28 LEU CB C 28 44.307 44.821 -0.514 1
1 280 . 8 1 1 A 28 28 LEU C C 28 174.670 174.402 0.268 1
1 282 . 8 1 1 A 29 29 SER N N 29 115.017 122.348 -7.331 1
1 283 . 8 1 1 A 29 29 SER H H 29 8.314 8.441 -0.127 1
1 284 . 8 1 1 A 29 29 SER CA C 29 56.340 56.460 -0.120 1
1 285 . 8 1 1 A 29 29 SER HA H 29 4.807 5.190 -0.383 1
1 286 . 8 1 1 A 29 29 SER CB C 29 65.926 64.990 0.936 1
1 288 . 8 1 1 A 29 29 SER C C 29 172.842 172.429 0.413 1
1 290 . 8 1 1 A 30 30 PHE N N 30 119.941 125.975 -6.034 1
1 291 . 8 1 1 A 30 30 PHE H H 30 9.366 9.153 0.213 1
1 292 . 8 1 1 A 30 30 PHE CA C 30 57.047 56.791 0.256 1
1 293 . 8 1 1 A 30 30 PHE HA H 30 5.374 5.152 0.222 1
1 294 . 8 1 1 A 30 30 PHE CB C 30 44.307 41.501 2.806 1
1 306 . 8 1 1 A 30 30 PHE C C 30 175.242 175.115 0.127 1
1 308 . 8 1 1 A 31 31 ILE N N 31 122.161 122.091 0.070 1
1 309 . 8 1 1 A 31 31 ILE H H 31 8.950 8.802 0.148 1
1 310 . 8 1 1 A 31 31 ILE CA C 31 60.680 60.542 0.138 1
1 311 . 8 1 1 A 31 31 ILE HA H 31 4.338 4.900 -0.562 1
1 312 . 8 1 1 A 31 31 ILE CB C 31 42.354 41.198 1.156 1
1 324 . 8 1 1 A 31 31 ILE C C 31 174.368 175.439 -1.071 1
1 326 . 8 1 1 A 32 32 ARG N N 32 128.976 127.584 1.392 1
1 327 . 8 1 1 A 32 32 ARG H H 32 8.773 8.900 -0.127 1
1 328 . 8 1 1 A 32 32 ARG CA C 32 51.444 52.429 -0.985 1
1 329 . 8 1 1 A 32 32 ARG HA H 32 5.263 4.860 0.403 1
1 330 . 8 1 1 A 32 32 ARG CB C 32 29.600 31.357 -1.757 1
1 338 . 8 1 1 A 32 32 ARG C C 32 173.585 173.877 -0.292 1
1 342 . 8 1 1 A 33 33 PRO CA C 33 60.759 61.857 -1.098 1
1 343 . 8 1 1 A 33 33 PRO HA H 33 4.581 4.709 -0.128 1
1 344 . 8 1 1 A 33 33 PRO CB C 33 32.219 32.483 -0.264 1
1 353 . 8 1 1 A 34 34 PRO CA C 34 64.464 65.256 -0.792 1
1 354 . 8 1 1 A 34 34 PRO HA H 34 4.236 4.223 0.013 1
1 355 . 8 1 1 A 34 34 PRO CB C 34 31.997 32.055 -0.058 1
1 361 . 8 1 1 A 34 34 PRO C C 34 178.240 178.451 -0.211 1
1 365 . 8 1 1 A 35 35 GLU N N 35 115.025 116.142 -1.117 1
1 366 . 8 1 1 A 35 35 GLU H H 35 9.287 8.876 0.411 1
1 367 . 8 1 1 A 35 35 GLU CA C 35 57.753 58.901 -1.148 1
1 368 . 8 1 1 A 35 35 GLU HA H 35 4.205 4.114 0.091 1
1 369 . 8 1 1 A 35 35 GLU CB C 35 28.595 28.872 -0.277 1
1 373 . 8 1 1 A 35 35 GLU C C 35 176.471 176.812 -0.341 1
1 376 . 8 1 1 A 36 36 ASN N N 36 114.302 117.974 -3.672 1
1 377 . 8 1 1 A 36 36 ASN H H 36 7.257 7.886 -0.629 1
1 378 . 8 1 1 A 36 36 ASN CA C 36 50.593 50.242 0.351 1
1 379 . 8 1 1 A 36 36 ASN HA H 36 5.024 5.178 -0.154 1
1 380 . 8 1 1 A 36 36 ASN CB C 36 39.094 39.056 0.038 1
1 385 . 8 1 1 A 36 36 ASN C C 36 172.128 173.564 -1.436 1
1 387 . 8 1 1 A 37 37 PRO CA C 37 64.287 64.991 -0.704 1
1 388 . 8 1 1 A 37 37 PRO HA H 37 4.600 4.307 0.293 1
1 389 . 8 1 1 A 37 37 PRO CB C 37 32.235 32.068 0.167 1
1 394 . 8 1 1 A 37 37 PRO C C 37 176.707 177.943 -1.236 1
1 398 . 8 1 1 A 38 38 ALA N N 38 117.780 117.863 -0.083 1
1 399 . 8 1 1 A 38 38 ALA H H 38 7.596 8.060 -0.464 1
1 400 . 8 1 1 A 38 38 ALA CA C 38 52.674 53.069 -0.395 1
1 401 . 8 1 1 A 38 38 ALA HA H 38 4.262 4.324 -0.062 1
1 402 . 8 1 1 A 38 38 ALA CB C 38 19.201 19.205 -0.004 1
1 406 . 8 1 1 A 38 38 ALA C C 38 176.546 176.993 -0.447 1
1 407 . 8 1 1 A 39 39 LEU N N 39 122.870 121.010 1.860 1
1 408 . 8 1 1 A 39 39 LEU H H 39 7.963 7.126 0.837 1
1 409 . 8 1 1 A 39 39 LEU CA C 39 54.548 53.800 0.748 1
1 410 . 8 1 1 A 39 39 LEU HA H 39 4.953 5.022 -0.069 1
1 411 . 8 1 1 A 39 39 LEU CB C 39 44.768 44.087 0.681 1
1 423 . 8 1 1 A 39 39 LEU C C 39 173.627 175.096 -1.469 1
1 425 . 8 1 1 A 40 40 LEU N N 40 125.985 129.592 -3.607 1
1 426 . 8 1 1 A 40 40 LEU H H 40 9.247 8.848 0.399 1
1 427 . 8 1 1 A 40 40 LEU CA C 40 53.914 53.516 0.398 1
1 428 . 8 1 1 A 40 40 LEU HA H 40 5.018 5.186 -0.168 1
1 429 . 8 1 1 A 40 40 LEU CB C 40 45.014 44.597 0.417 1
1 441 . 8 1 1 A 40 40 LEU C C 40 174.170 174.736 -0.566 1
1 443 . 8 1 1 A 41 41 LEU N N 41 125.906 128.944 -3.038 1
1 444 . 8 1 1 A 41 41 LEU H H 41 9.224 9.604 -0.380 1
1 445 . 8 1 1 A 41 41 LEU CA C 41 53.190 53.704 -0.514 1
1 446 . 8 1 1 A 41 41 LEU HA H 41 5.222 5.292 -0.070 1
1 447 . 8 1 1 A 41 41 LEU CB C 41 42.034 42.560 -0.526 1
1 459 . 8 1 1 A 41 41 LEU C C 41 177.109 175.663 1.446 1
1 461 . 8 1 1 A 42 42 ILE N N 42 124.731 125.850 -1.119 1
1 462 . 8 1 1 A 42 42 ILE H H 42 9.087 8.900 0.187 1
1 463 . 8 1 1 A 42 42 ILE CA C 42 59.794 60.076 -0.282 1
1 464 . 8 1 1 A 42 42 ILE HA H 42 5.055 5.114 -0.059 1
1 465 . 8 1 1 A 42 42 ILE CB C 42 41.019 40.109 0.910 1
1 477 . 8 1 1 A 42 42 ILE C C 42 175.074 175.609 -0.535 1
1 479 . 8 1 1 A 43 43 THR N N 43 123.315 122.761 0.554 1
1 480 . 8 1 1 A 43 43 THR H H 43 8.589 8.928 -0.339 1
1 481 . 8 1 1 A 43 43 THR CA C 43 61.677 61.997 -0.320 1
1 482 . 8 1 1 A 43 43 THR HA H 43 5.023 5.159 -0.136 1
1 483 . 8 1 1 A 43 43 THR CB C 43 69.838 71.504 -1.666 1
1 489 . 8 1 1 A 43 43 THR C C 43 174.993 173.191 1.802 1
1 490 . 8 1 1 A 44 44 ILE N N 44 126.677 128.926 -2.249 1
1 491 . 8 1 1 A 44 44 ILE H H 44 9.329 8.785 0.544 1
1 492 . 8 1 1 A 44 44 ILE CA C 44 59.794 60.939 -1.145 1
1 493 . 8 1 1 A 44 44 ILE HA H 44 4.953 4.704 0.249 1
1 494 . 8 1 1 A 44 44 ILE CB C 44 38.754 39.078 -0.324 1
1 506 . 8 1 1 A 44 44 ILE C C 44 174.670 175.351 -0.681 1
1 508 . 8 1 1 A 45 45 THR N N 45 120.442 121.965 -1.523 1
1 509 . 8 1 1 A 45 45 THR H H 45 8.740 8.462 0.278 1
1 510 . 8 1 1 A 45 45 THR CA C 45 61.579 61.546 0.033 1
1 511 . 8 1 1 A 45 45 THR HA H 45 5.266 4.922 0.344 1
1 512 . 8 1 1 A 45 45 THR CB C 45 70.338 70.493 -0.155 1
1 518 . 8 1 1 A 45 45 THR C C 45 174.494 173.246 1.248 1
1 519 . 8 1 1 A 46 46 ALA N N 46 134.267 130.121 4.146 1
1 520 . 8 1 1 A 46 46 ALA H H 46 9.489 8.865 0.624 1
1 521 . 8 1 1 A 46 46 ALA CA C 46 49.846 50.600 -0.754 1
1 522 . 8 1 1 A 46 46 ALA HA H 46 5.554 4.926 0.628 1
1 523 . 8 1 1 A 46 46 ALA CB C 46 20.414 20.118 0.296 1
1 527 . 8 1 1 A 46 46 ALA C C 46 174.819 176.773 -1.954 1
1 528 . 8 1 1 A 47 47 THR N N 47 111.611 114.775 -3.164 1
1 529 . 8 1 1 A 47 47 THR H H 47 8.431 8.771 -0.340 1
1 530 . 8 1 1 A 47 47 THR CA C 47 59.331 59.811 -0.480 1
1 531 . 8 1 1 A 47 47 THR HA H 47 4.409 5.114 -0.705 1
1 532 . 8 1 1 A 47 47 THR CB C 47 71.655 70.884 0.771 1
1 538 . 8 1 1 A 47 47 THR C C 47 173.104 172.957 0.147 1
1 539 . 8 1 1 A 48 48 ASN N N 48 117.087 121.727 -4.640 1
1 540 . 8 1 1 A 48 48 ASN H H 48 8.647 8.472 0.175 1
1 541 . 8 1 1 A 48 48 ASN CA C 48 51.019 51.713 -0.694 1
1 542 . 8 1 1 A 48 48 ASN HA H 48 5.096 5.245 -0.149 1
1 543 . 8 1 1 A 48 48 ASN CB C 48 39.880 41.499 -1.619 1
1 548 . 8 1 1 A 48 48 ASN C C 48 173.769 174.302 -0.533 1
1 550 . 8 1 1 A 49 49 PHE N N 49 123.238 123.003 0.235 1
1 551 . 8 1 1 A 49 49 PHE H H 49 9.105 8.696 0.409 1
1 552 . 8 1 1 A 49 49 PHE CA C 49 57.422 58.832 -1.410 1
1 553 . 8 1 1 A 49 49 PHE HA H 49 4.601 4.704 -0.103 1
1 554 . 8 1 1 A 49 49 PHE CB C 49 38.770 40.920 -2.150 1
1 566 . 8 1 1 A 49 49 PHE C C 49 176.238 175.685 0.553 1
1 568 . 8 1 1 A 50 50 SER N N 50 118.477 114.214 4.263 1
1 569 . 8 1 1 A 50 50 SER H H 50 8.344 7.851 0.493 1
1 570 . 8 1 1 A 50 50 SER CA C 50 58.654 58.510 0.144 1
1 571 . 8 1 1 A 50 50 SER HA H 50 4.933 4.468 0.465 1
1 572 . 8 1 1 A 50 50 SER CB C 50 66.611 64.896 1.715 1
1 573 . 8 1 1 A 50 50 SER C C 50 173.089 175.667 -2.578 1
1 574 . 8 1 1 A 51 51 GLU N N 51 114.036 122.193 -8.157 1
1 575 . 8 1 1 A 51 51 GLU H H 51 9.051 9.047 0.004 1
1 576 . 8 1 1 A 51 51 GLU CA C 51 56.701 59.181 -2.480 1
1 577 . 8 1 1 A 51 51 GLU HA H 51 4.358 4.172 0.186 1
1 578 . 8 1 1 A 51 51 GLU CB C 51 30.323 29.474 0.849 1
1 582 . 8 1 1 A 51 51 GLU C C 51 175.603 177.413 -1.810 1
1 585 . 8 1 1 A 52 52 GLY N N 52 109.625 107.887 1.738 1
1 586 . 8 1 1 A 52 52 GLY H H 52 8.525 7.660 0.865 1
1 587 . 8 1 1 A 52 52 GLY CA C 52 44.267 44.254 0.013 1
1 588 . 8 1 1 A 52 52 GLY HA3 H 52 4.505 3.438 1.067 1
1 589 . 8 1 1 A 52 52 GLY C C 52 173.168 172.390 0.778 1
1 590 . 8 1 1 A 52 52 GLY HA2 H 52 2.842 2.147 0.695 1
1 591 . 8 1 1 A 53 53 ASP N N 53 125.175 123.488 1.687 1
1 592 . 8 1 1 A 53 53 ASP H H 53 9.001 8.429 0.572 1
1 593 . 8 1 1 A 53 53 ASP CA C 53 55.793 54.275 1.518 1
1 594 . 8 1 1 A 53 53 ASP HA H 53 4.082 4.875 -0.793 1
1 595 . 8 1 1 A 53 53 ASP CB C 53 40.522 42.323 -1.801 1
1 597 . 8 1 1 A 53 53 ASP C C 53 176.506 175.486 1.020 1
1 599 . 8 1 1 A 54 54 VAL N N 54 125.250 121.651 3.599 1
1 600 . 8 1 1 A 54 54 VAL H H 54 7.873 7.862 0.011 1
1 601 . 8 1 1 A 54 54 VAL CA C 54 61.350 61.203 0.147 1
1 602 . 8 1 1 A 54 54 VAL HA H 54 4.759 4.856 -0.097 1
1 603 . 8 1 1 A 54 54 VAL CB C 54 32.808 33.337 -0.529 1
1 613 . 8 1 1 A 54 54 VAL C C 54 176.126 175.224 0.902 1
1 614 . 8 1 1 A 55 55 THR N N 55 116.888 117.197 -0.309 1
1 615 . 8 1 1 A 55 55 THR H H 55 9.004 8.574 0.430 1
1 616 . 8 1 1 A 55 55 THR CA C 55 59.194 59.838 -0.644 1
1 617 . 8 1 1 A 55 55 THR HA H 55 4.920 4.844 0.076 1
1 618 . 8 1 1 A 55 55 THR CB C 55 72.508 71.852 0.656 1
1 624 . 8 1 1 A 55 55 THR C C 55 173.166 173.921 -0.755 1
1 625 . 8 1 1 A 56 56 HIS N N 56 115.667 120.043 -4.376 1
1 626 . 8 1 1 A 56 56 HIS H H 56 9.193 8.880 0.313 1
1 627 . 8 1 1 A 56 56 HIS CA C 56 56.363 56.620 -0.257 1
1 628 . 8 1 1 A 56 56 HIS HA H 56 4.153 4.229 -0.076 1
1 629 . 8 1 1 A 56 56 HIS CB C 56 26.923 28.039 -1.116 1
1 635 . 8 1 1 A 56 56 HIS C C 56 173.611 175.009 -1.398 1
1 637 . 8 1 1 A 57 57 PHE N N 57 118.625 119.151 -0.526 1
1 638 . 8 1 1 A 57 57 PHE H H 57 8.932 7.824 1.108 1
1 639 . 8 1 1 A 57 57 PHE CA C 57 59.503 59.027 0.476 1
1 640 . 8 1 1 A 57 57 PHE HA H 57 4.819 4.508 0.311 1
1 641 . 8 1 1 A 57 57 PHE CB C 57 39.871 39.813 0.058 1
1 653 . 8 1 1 A 57 57 PHE C C 57 176.025 174.910 1.115 1
1 655 . 8 1 1 A 58 58 ILE N N 58 131.418 127.513 3.905 1
1 656 . 8 1 1 A 58 58 ILE H H 58 8.989 8.221 0.768 1
1 657 . 8 1 1 A 58 58 ILE CA C 58 61.138 59.818 1.320 1
1 658 . 8 1 1 A 58 58 ILE HA H 58 4.001 4.308 -0.307 1
1 659 . 8 1 1 A 58 58 ILE CB C 58 41.349 41.131 0.218 1
1 671 . 8 1 1 A 58 58 ILE C C 58 173.046 173.662 -0.616 1
1 673 . 8 1 1 A 59 59 CYS N N 59 126.838 127.567 -0.729 1
1 674 . 8 1 1 A 59 59 CYS H H 59 8.844 8.621 0.223 1
1 675 . 8 1 1 A 59 59 CYS CA C 59 56.902 56.813 0.089 1
1 676 . 8 1 1 A 59 59 CYS HA H 59 5.044 4.957 0.087 1
1 677 . 8 1 1 A 59 59 CYS CB C 59 28.363 29.090 -0.727 1
1 679 . 8 1 1 A 59 59 CYS C C 59 173.375 173.266 0.109 1
1 681 . 8 1 1 A 60 60 GLN N N 60 126.903 126.701 0.202 1
1 682 . 8 1 1 A 60 60 GLN H H 60 8.929 8.762 0.167 1
1 683 . 8 1 1 A 60 60 GLN CA C 60 54.162 54.774 -0.612 1
1 684 . 8 1 1 A 60 60 GLN HA H 60 4.656 5.037 -0.381 1
1 685 . 8 1 1 A 60 60 GLN CB C 60 31.991 30.913 1.078 1
1 691 . 8 1 1 A 60 60 GLN C C 60 174.000 175.359 -1.359 1
1 694 . 8 1 1 A 61 61 ALA N N 61 124.049 121.623 2.426 1
1 695 . 8 1 1 A 61 61 ALA H H 61 8.178 8.617 -0.439 1
1 696 . 8 1 1 A 61 61 ALA CA C 61 50.160 50.631 -0.471 1
1 697 . 8 1 1 A 61 61 ALA HA H 61 5.192 5.418 -0.226 1
1 698 . 8 1 1 A 61 61 ALA CB C 61 23.419 23.791 -0.372 1
1 702 . 8 1 1 A 61 61 ALA C C 61 175.076 175.465 -0.389 1
1 703 . 8 1 1 A 62 62 ALA N N 62 121.362 120.893 0.469 1
1 704 . 8 1 1 A 62 62 ALA H H 62 8.488 8.688 -0.200 1
1 705 . 8 1 1 A 62 62 ALA CA C 62 51.309 51.389 -0.080 1
1 706 . 8 1 1 A 62 62 ALA HA H 62 4.667 5.114 -0.447 1
1 707 . 8 1 1 A 62 62 ALA CB C 62 22.617 22.093 0.524 1
1 711 . 8 1 1 A 62 62 ALA C C 62 176.013 176.002 0.011 1
1 712 . 8 1 1 A 63 63 VAL N N 63 113.572 117.367 -3.795 1
1 713 . 8 1 1 A 63 63 VAL H H 63 8.271 8.610 -0.339 1
1 714 . 8 1 1 A 63 63 VAL CA C 63 57.691 58.094 -0.403 1
1 715 . 8 1 1 A 63 63 VAL HA H 63 5.045 4.898 0.147 1
1 716 . 8 1 1 A 63 63 VAL CB C 63 32.968 33.654 -0.686 1
1 726 . 8 1 1 A 63 63 VAL C C 63 173.707 173.706 0.001 1
1 727 . 8 1 1 A 64 64 PRO CA C 64 62.757 62.701 0.056 1
1 728 . 8 1 1 A 64 64 PRO HA H 64 4.459 4.657 -0.198 1
1 729 . 8 1 1 A 64 64 PRO CB C 64 32.728 32.389 0.339 1
1 735 . 8 1 1 A 64 64 PRO C C 64 176.348 177.786 -1.438 1
1 739 . 8 1 1 A 65 65 LYS N N 65 118.624 125.004 -6.380 1
1 740 . 8 1 1 A 65 65 LYS H H 65 8.323 8.985 -0.662 1
1 741 . 8 1 1 A 65 65 LYS CA C 65 58.516 59.547 -1.031 1
1 742 . 8 1 1 A 65 65 LYS HA H 65 4.183 3.944 0.239 1
1 743 . 8 1 1 A 65 65 LYS CB C 65 32.320 32.280 0.040 1
1 751 . 8 1 1 A 65 65 LYS C C 65 176.595 178.253 -1.658 1
1 756 . 8 1 1 A 66 66 SER N N 66 111.762 113.901 -2.139 1
1 757 . 8 1 1 A 66 66 SER H H 66 7.779 8.037 -0.258 1
1 758 . 8 1 1 A 66 66 SER CA C 66 59.298 61.497 -2.199 1
1 759 . 8 1 1 A 66 66 SER HA H 66 4.234 4.120 0.114 1
1 760 . 8 1 1 A 66 66 SER CB C 66 62.984 63.158 -0.174 1
1 762 . 8 1 1 A 66 66 SER C C 66 174.137 174.079 0.058 1
1 764 . 8 1 1 A 67 67 LEU N N 67 124.569 120.140 4.429 1
1 765 . 8 1 1 A 67 67 LEU H H 67 8.109 8.225 -0.116 1
1 766 . 8 1 1 A 67 67 LEU CA C 67 54.940 53.040 1.900 1
1 767 . 8 1 1 A 67 67 LEU HA H 67 4.836 5.013 -0.177 1
1 768 . 8 1 1 A 67 67 LEU CB C 67 43.882 44.572 -0.690 1
1 780 . 8 1 1 A 67 67 LEU C C 67 174.925 175.804 -0.879 1
1 782 . 8 1 1 A 68 68 GLN N N 68 117.163 120.959 -3.796 1
1 783 . 8 1 1 A 68 68 GLN H H 68 8.063 8.825 -0.762 1
1 784 . 8 1 1 A 68 68 GLN CA C 68 54.829 54.084 0.745 1
1 785 . 8 1 1 A 68 68 GLN HA H 68 4.674 5.169 -0.495 1
1 786 . 8 1 1 A 68 68 GLN CB C 68 31.579 32.330 -0.751 1
1 793 . 8 1 1 A 68 68 GLN C C 68 174.077 173.608 0.469 1
1 796 . 8 1 1 A 69 69 LEU N N 69 126.046 124.093 1.953 1
1 797 . 8 1 1 A 69 69 LEU H H 69 8.676 8.865 -0.189 1
1 798 . 8 1 1 A 69 69 LEU CA C 69 54.073 53.925 0.148 1
1 799 . 8 1 1 A 69 69 LEU HA H 69 5.231 5.224 0.007 1
1 800 . 8 1 1 A 69 69 LEU CB C 69 45.602 46.491 -0.889 1
1 811 . 8 1 1 A 69 69 LEU C C 69 175.497 174.285 1.212 1
1 813 . 8 1 1 A 70 70 GLN N N 70 126.758 124.731 2.027 1
1 814 . 8 1 1 A 70 70 GLN H H 70 9.410 8.962 0.448 1
1 815 . 8 1 1 A 70 70 GLN CA C 70 54.657 54.267 0.390 1
1 816 . 8 1 1 A 70 70 GLN HA H 70 4.746 5.172 -0.426 1
1 817 . 8 1 1 A 70 70 GLN CB C 70 31.537 32.287 -0.750 1
1 824 . 8 1 1 A 70 70 GLN C C 70 174.686 173.892 0.794 1
1 827 . 8 1 1 A 71 71 LEU N N 71 126.413 126.722 -0.309 1
1 828 . 8 1 1 A 71 71 LEU H H 71 8.936 8.700 0.236 1
1 829 . 8 1 1 A 71 71 LEU CA C 71 55.294 53.911 1.383 1
1 830 . 8 1 1 A 71 71 LEU HA H 71 4.752 4.653 0.099 1
1 831 . 8 1 1 A 71 71 LEU CB C 71 43.898 43.473 0.425 1
1 843 . 8 1 1 A 71 71 LEU C C 71 176.498 175.393 1.105 1
1 845 . 8 1 1 A 72 72 GLN N N 72 121.553 127.408 -5.855 1
1 846 . 8 1 1 A 72 72 GLN H H 72 8.100 8.063 0.037 1
1 847 . 8 1 1 A 72 72 GLN CA C 72 54.209 54.924 -0.715 1
1 848 . 8 1 1 A 72 72 GLN HA H 72 4.589 4.301 0.288 1
1 849 . 8 1 1 A 72 72 GLN CB C 72 31.142 29.995 1.147 1
1 856 . 8 1 1 A 72 72 GLN C C 72 174.254 175.702 -1.448 1
1 859 . 8 1 1 A 73 73 ALA N N 73 124.262 126.642 -2.380 1
1 860 . 8 1 1 A 73 73 ALA H H 73 8.452 8.289 0.163 1
1 861 . 8 1 1 A 73 73 ALA CA C 73 51.211 50.541 0.670 1
1 862 . 8 1 1 A 73 73 ALA HA H 73 4.500 4.251 0.249 1
1 863 . 8 1 1 A 73 73 ALA CB C 73 17.185 19.501 -2.316 1
1 867 . 8 1 1 A 73 73 ALA C C 73 176.548 175.953 0.595 1
1 868 . 8 1 1 A 74 74 PRO CA C 74 62.160 62.352 -0.192 1
1 869 . 8 1 1 A 74 74 PRO HA H 74 4.848 4.572 0.276 1
1 870 . 8 1 1 A 74 74 PRO CB C 74 32.897 33.290 -0.393 1
1 874 . 8 1 1 A 74 74 PRO C C 74 177.266 176.416 0.850 1
1 878 . 8 1 1 A 75 75 SER N N 75 115.398 115.504 -0.106 1
1 879 . 8 1 1 A 75 75 SER H H 75 9.293 8.783 0.510 1
1 880 . 8 1 1 A 75 75 SER CA C 75 61.024 59.163 1.861 1
1 881 . 8 1 1 A 75 75 SER HA H 75 4.154 4.510 -0.356 1
1 882 . 8 1 1 A 75 75 SER CB C 75 62.867 64.840 -1.973 1
1 884 . 8 1 1 A 75 75 SER C C 75 174.460 174.141 0.319 1
1 886 . 8 1 1 A 76 76 GLY N N 76 106.233 106.696 -0.463 1
1 887 . 8 1 1 A 76 76 GLY H H 76 7.208 7.294 -0.086 1
1 888 . 8 1 1 A 76 76 GLY CA C 76 44.930 45.983 -1.053 1
1 889 . 8 1 1 A 76 76 GLY HA3 H 76 4.306 4.026 0.280 1
1 890 . 8 1 1 A 76 76 GLY C C 76 171.327 172.326 -0.999 1
1 891 . 8 1 1 A 76 76 GLY HA2 H 76 4.095 4.021 0.074 1
1 892 . 8 1 1 A 77 77 ASN CA C 77 53.060 52.885 0.175 1
1 893 . 8 1 1 A 77 77 ASN HA H 77 5.001 5.067 -0.066 1
1 894 . 8 1 1 A 77 77 ASN CB C 77 40.650 39.109 1.541 1
1 899 . 8 1 1 A 77 77 ASN C C 77 173.427 173.255 0.172 1
1 901 . 8 1 1 A 78 78 THR N N 78 114.705 114.460 0.245 1
1 902 . 8 1 1 A 78 78 THR H H 78 7.579 7.561 0.018 1
1 903 . 8 1 1 A 78 78 THR CA C 78 59.766 61.289 -1.523 1
1 904 . 8 1 1 A 78 78 THR HA H 78 5.174 5.044 0.130 1
1 905 . 8 1 1 A 78 78 THR CB C 78 71.855 72.586 -0.731 1
1 911 . 8 1 1 A 78 78 THR C C 78 173.138 173.194 -0.056 1
1 912 . 8 1 1 A 79 79 VAL N N 79 123.606 125.408 -1.802 1
1 913 . 8 1 1 A 79 79 VAL H H 79 8.696 9.237 -0.541 1
1 914 . 8 1 1 A 79 79 VAL CA C 79 58.982 58.864 0.118 1
1 915 . 8 1 1 A 79 79 VAL HA H 79 4.495 4.495 0.000 1
1 916 . 8 1 1 A 79 79 VAL CB C 79 32.717 35.479 -2.762 1
1 926 . 8 1 1 A 79 79 VAL C C 79 174.289 173.898 0.391 1
1 927 . 8 1 1 A 80 80 PRO CA C 80 63.184 62.557 0.627 1
1 928 . 8 1 1 A 80 80 PRO HA H 80 4.160 4.704 -0.544 1
1 929 . 8 1 1 A 80 80 PRO CB C 80 33.128 32.269 0.859 1
1 935 . 8 1 1 A 80 80 PRO C C 80 174.009 176.844 -2.835 1
1 939 . 8 1 1 A 81 81 ALA N N 81 120.000 124.668 -4.668 1
1 940 . 8 1 1 A 81 81 ALA H H 81 8.371 7.876 0.495 1
1 941 . 8 1 1 A 81 81 ALA CA C 81 51.951 52.580 -0.629 1
1 942 . 8 1 1 A 81 81 ALA HA H 81 3.715 4.334 -0.619 1
1 943 . 8 1 1 A 81 81 ALA CB C 81 20.029 19.305 0.724 1
1 947 . 8 1 1 A 81 81 ALA C C 81 176.740 177.706 -0.966 1
1 948 . 8 1 1 A 82 82 ARG N N 82 111.901 115.561 -3.660 1
1 949 . 8 1 1 A 82 82 ARG H H 82 8.724 7.811 0.913 1
1 950 . 8 1 1 A 82 82 ARG CA C 82 57.062 55.144 1.918 1
1 951 . 8 1 1 A 82 82 ARG HA H 82 3.665 4.550 -0.885 1
1 952 . 8 1 1 A 82 82 ARG CB C 82 26.959 30.026 -3.067 1
1 958 . 8 1 1 A 82 82 ARG C C 82 176.777 176.594 0.183 1
1 962 . 8 1 1 A 83 83 GLY N N 83 107.610 108.584 -0.974 1
1 963 . 8 1 1 A 83 83 GLY H H 83 9.251 7.862 1.389 1
1 964 . 8 1 1 A 83 83 GLY CA C 83 46.389 46.923 -0.534 1
1 965 . 8 1 1 A 83 83 GLY HA3 H 83 3.731 3.936 -0.205 1
1 966 . 8 1 1 A 83 83 GLY C C 83 176.193 174.872 1.321 1
1 967 . 8 1 1 A 83 83 GLY HA2 H 83 3.352 3.502 -0.150 1
1 968 . 8 1 1 A 84 84 GLY N N 84 106.030 107.396 -1.366 1
1 969 . 8 1 1 A 84 84 GLY H H 84 7.015 7.983 -0.968 1
1 970 . 8 1 1 A 84 84 GLY CA C 84 45.272 44.480 0.792 1
1 971 . 8 1 1 A 84 84 GLY HA3 H 84 3.537 3.984 -0.447 1
1 972 . 8 1 1 A 84 84 GLY C C 84 171.651 173.594 -1.943 1
1 973 . 8 1 1 A 84 84 GLY HA2 H 84 3.891 3.962 -0.071 1
1 974 . 8 1 1 A 85 85 LEU N N 85 120.524 121.776 -1.252 1
1 975 . 8 1 1 A 85 85 LEU H H 85 7.903 7.960 -0.057 1
1 976 . 8 1 1 A 85 85 LEU CA C 85 53.494 51.021 2.473 1
1 977 . 8 1 1 A 85 85 LEU HA H 85 4.346 4.837 -0.491 1
1 978 . 8 1 1 A 85 85 LEU CB C 85 42.901 45.249 -2.348 1
1 990 . 8 1 1 A 85 85 LEU C C 85 174.362 174.789 -0.427 1
1 992 . 8 1 1 A 86 86 PRO CA C 86 62.752 62.230 0.522 1
1 993 . 8 1 1 A 86 86 PRO HA H 86 4.570 4.546 0.024 1
1 994 . 8 1 1 A 86 86 PRO CB C 86 33.557 32.512 1.045 1
1 1000 . 8 1 1 A 86 86 PRO C C 86 178.338 176.071 2.267 1
1 1004 . 8 1 1 A 87 87 ILE N N 87 118.504 121.946 -3.442 1
1 1005 . 8 1 1 A 87 87 ILE H H 87 7.544 8.476 -0.932 1
1 1006 . 8 1 1 A 87 87 ILE CA C 87 60.571 60.650 -0.079 1
1 1007 . 8 1 1 A 87 87 ILE HA H 87 4.021 4.568 -0.547 1
1 1008 . 8 1 1 A 87 87 ILE CB C 87 40.787 39.910 0.877 1
1 1020 . 8 1 1 A 87 87 ILE C C 87 175.620 175.733 -0.113 1
1 1022 . 8 1 1 A 88 88 THR N N 88 115.839 115.147 0.692 1
1 1023 . 8 1 1 A 88 88 THR H H 88 8.788 8.844 -0.056 1
1 1024 . 8 1 1 A 88 88 THR CA C 88 58.935 60.560 -1.625 1
1 1025 . 8 1 1 A 88 88 THR HA H 88 5.678 5.503 0.175 1
1 1026 . 8 1 1 A 88 88 THR CB C 88 72.532 71.326 1.206 1
1 1032 . 8 1 1 A 88 88 THR C C 88 174.318 172.154 2.164 1
1 1033 . 8 1 1 A 89 89 GLN N N 89 121.295 125.937 -4.642 1
1 1034 . 8 1 1 A 89 89 GLN H H 89 8.399 9.319 -0.920 1
1 1035 . 8 1 1 A 89 89 GLN CA C 89 56.259 53.948 2.311 1
1 1036 . 8 1 1 A 89 89 GLN HA H 89 4.528 5.111 -0.583 1
1 1037 . 8 1 1 A 89 89 GLN CB C 89 30.760 32.244 -1.484 1
1 1044 . 8 1 1 A 89 89 GLN C C 89 172.439 173.933 -1.494 1
1 1047 . 8 1 1 A 90 90 LEU N N 90 129.715 127.861 1.854 1
1 1048 . 8 1 1 A 90 90 LEU H H 90 8.426 8.342 0.084 1
1 1049 . 8 1 1 A 90 90 LEU CA C 90 54.513 53.537 0.976 1
1 1050 . 8 1 1 A 90 90 LEU HA H 90 5.103 4.788 0.315 1
1 1051 . 8 1 1 A 90 90 LEU CB C 90 44.412 44.482 -0.070 1
1 1063 . 8 1 1 A 90 90 LEU C C 90 175.027 174.170 0.857 1
1 1065 . 8 1 1 A 91 91 PHE N N 91 123.227 124.202 -0.975 1
1 1066 . 8 1 1 A 91 91 PHE H H 91 9.647 8.647 1.000 1
1 1067 . 8 1 1 A 91 91 PHE CA C 91 55.327 56.336 -1.009 1
1 1068 . 8 1 1 A 91 91 PHE HA H 91 5.064 5.477 -0.413 1
1 1069 . 8 1 1 A 91 91 PHE CB C 91 40.899 42.244 -1.345 1
1 1081 . 8 1 1 A 91 91 PHE C C 91 174.296 174.521 -0.225 1
1 1083 . 8 1 1 A 92 92 ARG N N 92 121.174 123.676 -2.502 1
1 1084 . 8 1 1 A 92 92 ARG H H 92 8.726 8.467 0.259 1
1 1085 . 8 1 1 A 92 92 ARG CA C 92 55.046 55.648 -0.602 1
1 1086 . 8 1 1 A 92 92 ARG HA H 92 5.109 4.754 0.355 1
1 1087 . 8 1 1 A 92 92 ARG CB C 92 32.524 30.683 1.841 1
1 1093 . 8 1 1 A 92 92 ARG C C 92 175.154 175.006 0.148 1
1 1097 . 8 1 1 A 93 93 ILE N N 93 126.629 125.578 1.051 1
1 1098 . 8 1 1 A 93 93 ILE H H 93 9.599 8.943 0.656 1
1 1099 . 8 1 1 A 93 93 ILE CA C 93 59.538 59.891 -0.353 1
1 1100 . 8 1 1 A 93 93 ILE HA H 93 5.206 5.222 -0.016 1
1 1101 . 8 1 1 A 93 93 ILE CB C 93 40.963 41.174 -0.211 1
1 1113 . 8 1 1 A 93 93 ILE C C 93 174.400 175.262 -0.862 1
1 1115 . 8 1 1 A 94 94 LEU N N 94 127.940 125.661 2.279 1
1 1116 . 8 1 1 A 94 94 LEU H H 94 8.853 8.885 -0.032 1
1 1117 . 8 1 1 A 94 94 LEU CA C 94 53.673 53.204 0.469 1
1 1118 . 8 1 1 A 94 94 LEU HA H 94 5.152 5.094 0.058 1
1 1119 . 8 1 1 A 94 94 LEU CB C 94 44.245 43.713 0.532 1
1 1131 . 8 1 1 A 94 94 LEU C C 94 176.106 175.767 0.339 1
1 1133 . 8 1 1 A 95 95 ASN N N 95 119.567 122.653 -3.086 1
1 1134 . 8 1 1 A 95 95 ASN H H 95 9.271 9.113 0.158 1
1 1135 . 8 1 1 A 95 95 ASN CA C 95 49.634 50.862 -1.228 1
1 1136 . 8 1 1 A 95 95 ASN HA H 95 5.361 5.268 0.093 1
1 1137 . 8 1 1 A 95 95 ASN CB C 95 39.189 39.173 0.016 1
1 1142 . 8 1 1 A 95 95 ASN C C 95 173.779 173.927 -0.148 1
1 1144 . 8 1 1 A 96 96 PRO CA C 96 64.795 64.489 0.306 1
1 1145 . 8 1 1 A 96 96 PRO HA H 96 4.306 4.466 -0.160 1
1 1146 . 8 1 1 A 96 96 PRO CB C 96 32.010 31.931 0.079 1
1 1152 . 8 1 1 A 96 96 PRO C C 96 177.656 177.272 0.384 1
1 1156 . 8 1 1 A 97 97 ASN N N 97 114.343 114.661 -0.318 1
1 1157 . 8 1 1 A 97 97 ASN H H 97 8.840 7.864 0.976 1
1 1158 . 8 1 1 A 97 97 ASN CA C 97 52.889 53.669 -0.780 1
1 1159 . 8 1 1 A 97 97 ASN HA H 97 4.828 4.764 0.064 1
1 1160 . 8 1 1 A 97 97 ASN CB C 97 38.085 38.725 -0.640 1
1 1165 . 8 1 1 A 97 97 ASN C C 97 174.361 174.703 -0.342 1
1 1167 . 8 1 1 A 98 98 LYS N N 98 118.175 116.151 2.024 1
1 1168 . 8 1 1 A 98 98 LYS H H 98 7.735 7.594 0.141 1
1 1169 . 8 1 1 A 98 98 LYS CA C 98 57.625 57.171 0.454 1
1 1170 . 8 1 1 A 98 98 LYS HA H 98 3.780 3.903 -0.123 1
1 1171 . 8 1 1 A 98 98 LYS CB C 98 29.343 29.024 0.319 1
1 1179 . 8 1 1 A 98 98 LYS C C 98 174.779 174.965 -0.186 1
1 1184 . 8 1 1 A 99 99 ALA N N 99 122.321 121.277 1.044 1
1 1185 . 8 1 1 A 99 99 ALA H H 99 8.454 7.818 0.636 1
1 1186 . 8 1 1 A 99 99 ALA CA C 99 49.893 48.943 0.950 1
1 1187 . 8 1 1 A 99 99 ALA HA H 99 4.415 4.585 -0.170 1
1 1188 . 8 1 1 A 99 99 ALA CB C 99 18.125 20.167 -2.042 1
1 1192 . 8 1 1 A 99 99 ALA C C 99 175.018 176.055 -1.037 1
1 1193 . 8 1 1 A 100 100 PRO CA C 100 62.082 62.537 -0.455 1
1 1194 . 8 1 1 A 100 100 PRO CB C 100 31.068 31.532 -0.464 1
1 1203 . 8 1 1 A 101 101 LEU H H 101 5.223 8.632 -3.409 1
1 1204 . 8 1 1 A 101 101 LEU CA C 101 55.181 53.244 1.937 1
1 1205 . 8 1 1 A 101 101 LEU HA H 101 3.758 4.918 -1.160 1
1 1206 . 8 1 1 A 101 101 LEU CB C 101 43.103 45.161 -2.058 1
1 1218 . 8 1 1 A 101 101 LEU C C 101 174.350 175.494 -1.144 1
1 1220 . 8 1 1 A 102 102 ARG N N 102 122.304 120.170 2.134 1
1 1221 . 8 1 1 A 102 102 ARG H H 102 6.412 8.456 -2.044 1
1 1222 . 8 1 1 A 102 102 ARG CA C 102 54.659 54.247 0.412 1
1 1223 . 8 1 1 A 102 102 ARG HA H 102 4.500 4.924 -0.424 1
1 1224 . 8 1 1 A 102 102 ARG CB C 102 33.168 33.086 0.082 1
1 1230 . 8 1 1 A 102 102 ARG C C 102 173.625 174.824 -1.199 1
1 1234 . 8 1 1 A 103 103 LEU N N 103 119.849 123.366 -3.517 1
1 1235 . 8 1 1 A 103 103 LEU H H 103 8.301 8.728 -0.427 1
1 1236 . 8 1 1 A 103 103 LEU CA C 103 53.667 53.685 -0.018 1
1 1237 . 8 1 1 A 103 103 LEU HA H 103 4.886 5.015 -0.129 1
1 1238 . 8 1 1 A 103 103 LEU CB C 103 47.097 46.653 0.444 1
1 1250 . 8 1 1 A 103 103 LEU C C 103 173.874 174.025 -0.151 1
1 1252 . 8 1 1 A 104 104 LYS N N 104 126.165 127.747 -1.582 1
1 1253 . 8 1 1 A 104 104 LYS H H 104 8.516 9.203 -0.687 1
1 1254 . 8 1 1 A 104 104 LYS CA C 104 55.117 55.025 0.092 1
1 1255 . 8 1 1 A 104 104 LYS HA H 104 4.773 4.882 -0.109 1
1 1256 . 8 1 1 A 104 104 LYS CB C 104 34.581 34.054 0.527 1
1 1264 . 8 1 1 A 104 104 LYS C C 104 174.980 175.176 -0.196 1
1 1269 . 8 1 1 A 105 105 LEU N N 105 125.172 129.313 -4.141 1
1 1270 . 8 1 1 A 105 105 LEU H H 105 8.586 9.057 -0.471 1
1 1271 . 8 1 1 A 105 105 LEU CA C 105 53.059 53.077 -0.018 1
1 1272 . 8 1 1 A 105 105 LEU HA H 105 4.923 4.966 -0.043 1
1 1273 . 8 1 1 A 105 105 LEU CB C 105 44.358 43.899 0.459 1
1 1285 . 8 1 1 A 105 105 LEU C C 105 174.037 175.033 -0.996 1
1 1287 . 8 1 1 A 106 106 ARG N N 106 119.880 124.395 -4.515 1
1 1288 . 8 1 1 A 106 106 ARG H H 106 8.363 9.108 -0.745 1
1 1289 . 8 1 1 A 106 106 ARG CA C 106 54.374 54.327 0.047 1
1 1290 . 8 1 1 A 106 106 ARG HA H 106 4.926 4.946 -0.020 1
1 1291 . 8 1 1 A 106 106 ARG CB C 106 32.783 33.470 -0.687 1
1 1297 . 8 1 1 A 106 106 ARG C C 106 174.611 174.087 0.524 1
1 1301 . 8 1 1 A 107 107 LEU N N 107 128.498 128.218 0.280 1
1 1302 . 8 1 1 A 107 107 LEU H H 107 9.260 8.954 0.306 1
1 1303 . 8 1 1 A 107 107 LEU CA C 107 52.942 53.412 -0.470 1
1 1304 . 8 1 1 A 107 107 LEU HA H 107 5.110 5.270 -0.160 1
1 1305 . 8 1 1 A 107 107 LEU CB C 107 45.279 43.988 1.291 1
1 1317 . 8 1 1 A 107 107 LEU C C 107 175.494 176.139 -0.645 1
1 1319 . 8 1 1 A 108 108 THR N N 108 114.947 115.632 -0.685 1
1 1320 . 8 1 1 A 108 108 THR H H 108 8.424 8.542 -0.118 1
1 1321 . 8 1 1 A 108 108 THR CA C 108 59.201 60.643 -1.442 1
1 1322 . 8 1 1 A 108 108 THR HA H 108 5.344 5.345 -0.001 1
1 1323 . 8 1 1 A 108 108 THR CB C 108 71.413 71.218 0.195 1
1 1329 . 8 1 1 A 108 108 THR C C 108 172.424 172.995 -0.571 1
1 1330 . 8 1 1 A 109 109 TYR N N 109 114.691 120.129 -5.438 1
1 1331 . 8 1 1 A 109 109 TYR H H 109 8.056 8.593 -0.537 1
1 1332 . 8 1 1 A 109 109 TYR CA C 109 57.133 56.165 0.968 1
1 1333 . 8 1 1 A 109 109 TYR HA H 109 4.769 5.187 -0.418 1
1 1334 . 8 1 1 A 109 109 TYR CB C 109 38.008 40.553 -2.545 1
1 1344 . 8 1 1 A 109 109 TYR C C 109 171.790 171.961 -0.171 1
1 1346 . 8 1 1 A 110 110 ASP N N 110 119.179 120.136 -0.957 1
1 1347 . 8 1 1 A 110 110 ASP H H 110 9.332 8.968 0.364 1
1 1348 . 8 1 1 A 110 110 ASP CA C 110 53.147 53.384 -0.237 1
1 1349 . 8 1 1 A 110 110 ASP HA H 110 5.855 5.704 0.151 1
1 1350 . 8 1 1 A 110 110 ASP CB C 110 42.179 43.591 -1.412 1
1 1352 . 8 1 1 A 110 110 ASP C C 110 176.257 174.596 1.661 1
1 1354 . 8 1 1 A 111 111 HIS N N 111 122.092 123.803 -1.711 1
1 1355 . 8 1 1 A 111 111 HIS H H 111 8.993 9.199 -0.206 1
1 1356 . 8 1 1 A 111 111 HIS CA C 111 55.365 55.567 -0.202 1
1 1357 . 8 1 1 A 111 111 HIS HA H 111 4.768 5.086 -0.318 1
1 1358 . 8 1 1 A 111 111 HIS CB C 111 36.414 33.091 3.323 1
1 1364 . 8 1 1 A 111 111 HIS C C 111 175.420 174.511 0.909 1
1 1366 . 8 1 1 A 112 112 PHE N N 112 129.361 124.546 4.815 1
1 1367 . 8 1 1 A 112 112 PHE H H 112 10.128 9.394 0.734 1
1 1368 . 8 1 1 A 112 112 PHE CA C 112 59.353 58.908 0.445 1
1 1369 . 8 1 1 A 112 112 PHE HA H 112 3.972 4.137 -0.165 1
1 1370 . 8 1 1 A 112 112 PHE CB C 112 36.136 36.810 -0.674 1
1 1382 . 8 1 1 A 112 112 PHE C C 112 175.288 175.162 0.126 1
1 1384 . 8 1 1 A 113 113 HIS N N 113 109.753 109.110 0.643 1
1 1385 . 8 1 1 A 113 113 HIS H H 113 8.856 8.386 0.470 1
1 1386 . 8 1 1 A 113 113 HIS CA C 113 57.593 56.805 0.788 1
1 1387 . 8 1 1 A 113 113 HIS HA H 113 4.168 4.166 0.002 1
1 1388 . 8 1 1 A 113 113 HIS CB C 113 27.575 26.958 0.617 1
1 1394 . 8 1 1 A 113 113 HIS C C 113 174.146 173.558 0.588 1
1 1396 . 8 1 1 A 114 114 GLN N N 114 118.510 118.011 0.499 1
1 1397 . 8 1 1 A 114 114 GLN H H 114 7.930 7.872 0.058 1
1 1398 . 8 1 1 A 114 114 GLN CA C 114 54.303 55.277 -0.974 1
1 1399 . 8 1 1 A 114 114 GLN HA H 114 4.674 4.729 -0.055 1
1 1400 . 8 1 1 A 114 114 GLN CB C 114 31.548 32.374 -0.826 1
1 1407 . 8 1 1 A 114 114 GLN C C 114 174.702 174.178 0.524 1
1 1410 . 8 1 1 A 115 115 SER N N 115 118.183 120.065 -1.882 1
1 1411 . 8 1 1 A 115 115 SER H H 115 8.528 8.799 -0.271 1
1 1412 . 8 1 1 A 115 115 SER CA C 115 57.665 57.490 0.175 1
1 1413 . 8 1 1 A 115 115 SER HA H 115 5.112 4.740 0.372 1
1 1414 . 8 1 1 A 115 115 SER CB C 115 63.266 63.217 0.049 1
1 1416 . 8 1 1 A 115 115 SER C C 115 174.157 173.626 0.531 1
1 1418 . 8 1 1 A 116 116 VAL N N 116 130.788 127.995 2.793 1
1 1419 . 8 1 1 A 116 116 VAL H H 116 9.445 8.899 0.546 1
1 1420 . 8 1 1 A 116 116 VAL CA C 116 62.375 61.139 1.236 1
1 1421 . 8 1 1 A 116 116 VAL HA H 116 3.870 4.485 -0.615 1
1 1422 . 8 1 1 A 116 116 VAL CB C 116 32.564 32.493 0.071 1
1 1432 . 8 1 1 A 116 116 VAL C C 116 175.674 174.307 1.367 1
1 1433 . 8 1 1 A 117 117 GLN N N 117 127.278 129.224 -1.946 1
1 1434 . 8 1 1 A 117 117 GLN H H 117 8.612 8.965 -0.353 1
1 1435 . 8 1 1 A 117 117 GLN CA C 117 55.004 54.453 0.551 1
1 1436 . 8 1 1 A 117 117 GLN HA H 117 5.170 5.213 -0.043 1
1 1437 . 8 1 1 A 117 117 GLN CB C 117 31.166 31.119 0.047 1
1 1444 . 8 1 1 A 117 117 GLN C C 117 174.229 174.354 -0.125 1
1 1447 . 8 1 1 A 118 118 GLU N N 118 125.633 125.558 0.075 1
1 1448 . 8 1 1 A 118 118 GLU H H 118 8.960 8.703 0.257 1
1 1449 . 8 1 1 A 118 118 GLU CA C 118 54.799 54.702 0.097 1
1 1450 . 8 1 1 A 118 118 GLU HA H 118 4.869 5.265 -0.396 1
1 1451 . 8 1 1 A 118 118 GLU CB C 118 33.675 33.799 -0.124 1
1 1455 . 8 1 1 A 118 118 GLU C C 118 174.340 175.083 -0.743 1
1 1458 . 8 1 1 A 119 119 ILE N N 119 123.525 123.908 -0.383 1
1 1459 . 8 1 1 A 119 119 ILE H H 119 8.683 9.033 -0.350 1
1 1460 . 8 1 1 A 119 119 ILE CA C 119 60.005 60.206 -0.201 1
1 1461 . 8 1 1 A 119 119 ILE HA H 119 5.157 4.722 0.435 1
1 1462 . 8 1 1 A 119 119 ILE CB C 119 40.761 39.922 0.839 1
1 1474 . 8 1 1 A 119 119 ILE C C 119 175.386 175.308 0.078 1
1 1476 . 8 1 1 A 120 120 PHE N N 120 122.954 123.623 -0.669 1
1 1477 . 8 1 1 A 120 120 PHE H H 120 8.647 8.327 0.320 1
1 1478 . 8 1 1 A 120 120 PHE CA C 120 55.754 55.053 0.701 1
1 1479 . 8 1 1 A 120 120 PHE HA H 120 5.064 5.538 -0.474 1
1 1480 . 8 1 1 A 120 120 PHE CB C 120 39.904 42.882 -2.978 1
1 1492 . 8 1 1 A 120 120 PHE C C 120 172.536 172.596 -0.060 1
1 1494 . 8 1 1 A 121 121 GLU N N 121 120.205 119.552 0.653 1
1 1495 . 8 1 1 A 121 121 GLU H H 121 8.807 8.734 0.073 1
1 1496 . 8 1 1 A 121 121 GLU CA C 121 54.976 55.343 -0.367 1
1 1497 . 8 1 1 A 121 121 GLU HA H 121 4.795 5.048 -0.253 1
1 1498 . 8 1 1 A 121 121 GLU CB C 121 31.537 32.183 -0.646 1
1 1502 . 8 1 1 A 121 121 GLU C C 121 175.979 176.098 -0.119 1
1 1505 . 8 1 1 A 122 122 VAL N N 122 124.567 125.800 -1.233 1
1 1506 . 8 1 1 A 122 122 VAL H H 122 8.818 8.735 0.083 1
1 1507 . 8 1 1 A 122 122 VAL CA C 122 62.536 63.570 -1.034 1
1 1508 . 8 1 1 A 122 122 VAL HA H 122 4.300 4.125 0.175 1
1 1509 . 8 1 1 A 122 122 VAL CB C 122 32.136 31.124 1.012 1
1 1519 . 8 1 1 A 122 122 VAL C C 122 175.324 177.014 -1.690 1
1 1520 . 8 1 1 A 123 123 ASN N N 123 125.013 122.605 2.408 1
1 1521 . 8 1 1 A 123 123 ASN H H 123 8.770 8.949 -0.179 1
1 1522 . 8 1 1 A 123 123 ASN CA C 123 52.889 52.654 0.235 1
1 1523 . 8 1 1 A 123 123 ASN HA H 123 5.072 4.933 0.139 1
1 1524 . 8 1 1 A 123 123 ASN CB C 123 40.114 38.601 1.513 1
1 1529 . 8 1 1 A 123 123 ASN C C 123 174.799 175.862 -1.063 1
1 1531 . 8 1 1 A 124 124 ASN N N 124 117.247 117.201 0.046 1
1 1532 . 8 1 1 A 124 124 ASN H H 124 8.599 7.957 0.642 1
1 1533 . 8 1 1 A 124 124 ASN CA C 124 52.853 52.379 0.474 1
1 1534 . 8 1 1 A 124 124 ASN HA H 124 4.721 4.939 -0.218 1
1 1535 . 8 1 1 A 124 124 ASN CB C 124 36.882 38.945 -2.063 1
1 1540 . 8 1 1 A 124 124 ASN C C 124 174.437 175.442 -1.005 1
1 1542 . 8 1 1 A 125 125 LEU N N 125 119.273 121.568 -2.295 1
1 1543 . 8 1 1 A 125 125 LEU H H 125 8.105 7.358 0.747 1
1 1544 . 8 1 1 A 125 125 LEU CA C 125 53.787 53.642 0.145 1
1 1545 . 8 1 1 A 125 125 LEU HA H 125 4.187 4.450 -0.263 1
1 1546 . 8 1 1 A 125 125 LEU CB C 125 40.398 41.382 -0.984 1
1 1558 . 8 1 1 A 125 125 LEU C C 125 175.528 174.679 0.849 1
1 1560 . 8 1 1 A 126 126 PRO CA C 126 62.439 62.384 0.055 1
1 1561 . 8 1 1 A 126 126 PRO HA H 126 4.519 4.550 -0.031 1
1 1562 . 8 1 1 A 126 126 PRO CB C 126 31.210 32.890 -1.680 1
1 1568 . 8 1 1 A 126 126 PRO C C 126 179.073 175.880 3.193 1
1 1572 . 8 1 1 A 127 127 VAL N N 127 124.759 116.348 8.411 1
1 1573 . 8 1 1 A 127 127 VAL H H 127 8.794 8.011 0.783 1
1 1574 . 8 1 1 A 127 127 VAL CA C 127 64.360 61.400 2.960 1
1 1575 . 8 1 1 A 127 127 VAL HA H 127 3.216 4.084 -0.868 1
1 1576 . 8 1 1 A 127 127 VAL CB C 127 30.825 32.453 -1.628 1
1 1586 . 8 1 1 A 127 127 VAL C C 127 176.789 176.630 0.159 1
1 1587 . 8 1 1 A 128 128 GLU N N 128 119.892 121.927 -2.035 1
1 1588 . 8 1 1 A 128 128 GLU H H 128 9.460 7.903 1.557 1
1 1589 . 8 1 1 A 128 128 GLU CA C 128 59.216 58.511 0.705 1
1 1590 . 8 1 1 A 128 128 GLU HA H 128 3.831 3.997 -0.166 1
1 1591 . 8 1 1 A 128 128 GLU CB C 128 29.188 29.184 0.004 1
1 1595 . 8 1 1 A 128 128 GLU C C 128 177.624 178.918 -1.294 1
1 1598 . 8 1 1 A 129 129 SER N N 129 112.727 114.728 -2.001 1
1 1599 . 8 1 1 A 129 129 SER H H 129 8.057 7.689 0.368 1
1 1600 . 8 1 1 A 129 129 SER CA C 129 61.024 61.273 -0.249 1
1 1601 . 8 1 1 A 129 129 SER HA H 129 3.925 4.143 -0.218 1
1 1602 . 8 1 1 A 129 129 SER CB C 129 64.440 62.904 1.536 1
1 1604 . 8 1 1 A 129 129 SER C C 129 173.147 176.139 -2.992 1
1 1606 . 8 1 1 A 130 130 TRP N N 130 117.092 119.254 -2.162 1
1 1607 . 8 1 1 A 130 130 TRP H H 130 7.184 6.923 0.261 1
1 1608 . 8 1 1 A 130 130 TRP CA C 130 57.027 58.776 -1.749 1
1 1609 . 8 1 1 A 130 130 TRP HA H 130 4.974 4.782 0.192 1
1 1610 . 8 1 1 A 130 130 TRP CB C 130 31.384 30.773 0.611 1
1 1624 . 8 1 1 A 130 130 TRP C C 130 174.759 177.214 -2.455 1
1 1 . 9 1 1 A 6 6 SER CA C 6 58.371 57.224 1.147 1
1 2 . 9 1 1 A 6 6 SER HA H 6 4.533 5.097 -0.564 1
1 3 . 9 1 1 A 6 6 SER CB C 6 63.994 64.951 -0.957 1
1 5 . 9 1 1 A 6 6 SER C C 6 174.472 173.604 0.868 1
1 7 . 9 1 1 A 7 7 GLY N N 7 110.741 113.677 -2.936 1
1 8 . 9 1 1 A 7 7 GLY H H 7 8.209 8.979 -0.770 1
1 9 . 9 1 1 A 7 7 GLY CA C 7 44.501 44.146 0.355 1
1 10 . 9 1 1 A 7 7 GLY HA3 H 7 4.059 4.287 -0.228 1
1 11 . 9 1 1 A 7 7 GLY C C 7 171.084 171.968 -0.884 1
1 12 . 9 1 1 A 7 7 GLY HA2 H 7 4.155 4.287 -0.132 1
1 13 . 9 1 1 A 8 8 PRO CA C 8 61.515 62.183 -0.668 1
1 14 . 9 1 1 A 8 8 PRO HA H 8 4.713 4.613 0.100 1
1 15 . 9 1 1 A 8 8 PRO CB C 8 30.760 31.779 -1.019 1
1 24 . 9 1 1 A 9 9 PRO HA H 9 4.724 4.587 0.137 1
1 30 . 9 1 1 A 10 10 PRO CA C 10 62.761 62.488 0.273 1
1 31 . 9 1 1 A 10 10 PRO HA H 10 4.389 4.643 -0.254 1
1 32 . 9 1 1 A 10 10 PRO CB C 10 32.082 33.173 -1.091 1
1 37 . 9 1 1 A 10 10 PRO C C 10 176.236 175.336 0.900 1
1 41 . 9 1 1 A 11 11 ALA N N 11 125.926 121.385 4.541 1
1 42 . 9 1 1 A 11 11 ALA H H 11 8.352 8.220 0.132 1
1 43 . 9 1 1 A 11 11 ALA CA C 11 50.343 49.372 0.971 1
1 44 . 9 1 1 A 11 11 ALA HA H 11 4.583 4.811 -0.228 1
1 45 . 9 1 1 A 11 11 ALA CB C 11 18.255 20.255 -2.000 1
1 49 . 9 1 1 A 11 11 ALA C C 11 175.479 175.155 0.324 1
1 50 . 9 1 1 A 12 12 PRO CA C 12 62.757 62.223 0.534 1
1 51 . 9 1 1 A 12 12 PRO HA H 12 4.386 4.660 -0.274 1
1 52 . 9 1 1 A 12 12 PRO CB C 12 32.104 33.132 -1.028 1
1 57 . 9 1 1 A 12 12 PRO C C 12 176.478 175.351 1.127 1
1 61 . 9 1 1 A 13 13 ILE N N 13 124.607 121.168 3.439 1
1 62 . 9 1 1 A 13 13 ILE H H 13 8.661 8.396 0.265 1
1 63 . 9 1 1 A 13 13 ILE CA C 13 59.081 58.755 0.326 1
1 64 . 9 1 1 A 13 13 ILE HA H 13 4.288 4.529 -0.241 1
1 65 . 9 1 1 A 13 13 ILE CB C 13 39.710 38.631 1.079 1
1 77 . 9 1 1 A 13 13 ILE C C 13 174.727 174.648 0.079 1
1 79 . 9 1 1 A 14 14 PRO CA C 14 63.433 62.441 0.992 1
1 80 . 9 1 1 A 14 14 PRO HA H 14 4.457 4.581 -0.124 1
1 81 . 9 1 1 A 14 14 PRO CB C 14 32.428 32.374 0.054 1
1 86 . 9 1 1 A 14 14 PRO C C 14 175.380 176.632 -1.252 1
1 90 . 9 1 1 A 15 15 ASP N N 15 118.741 120.093 -1.352 1
1 91 . 9 1 1 A 15 15 ASP H H 15 8.042 8.470 -0.428 1
1 92 . 9 1 1 A 15 15 ASP CA C 15 54.213 53.607 0.606 1
1 93 . 9 1 1 A 15 15 ASP HA H 15 5.064 5.125 -0.061 1
1 94 . 9 1 1 A 15 15 ASP CB C 15 41.793 41.433 0.360 1
1 96 . 9 1 1 A 15 15 ASP C C 15 176.413 175.656 0.757 1
1 98 . 9 1 1 A 16 16 LEU N N 16 121.451 121.059 0.392 1
1 99 . 9 1 1 A 16 16 LEU H H 16 9.016 8.627 0.389 1
1 100 . 9 1 1 A 16 16 LEU CA C 16 53.914 54.279 -0.365 1
1 101 . 9 1 1 A 16 16 LEU HA H 16 4.847 4.922 -0.075 1
1 102 . 9 1 1 A 16 16 LEU CB C 16 48.283 46.022 2.261 1
1 114 . 9 1 1 A 16 16 LEU C C 16 174.915 174.458 0.457 1
1 116 . 9 1 1 A 17 17 LYS N N 17 130.346 127.025 3.321 1
1 117 . 9 1 1 A 17 17 LYS H H 17 8.937 8.829 0.108 1
1 118 . 9 1 1 A 17 17 LYS CA C 17 57.027 57.132 -0.105 1
1 119 . 9 1 1 A 17 17 LYS HA H 17 4.821 4.364 0.457 1
1 120 . 9 1 1 A 17 17 LYS CB C 17 31.991 33.025 -1.034 1
1 128 . 9 1 1 A 17 17 LYS C C 17 177.744 176.364 1.380 1
1 133 . 9 1 1 A 18 18 VAL N N 18 116.605 121.404 -4.799 1
1 134 . 9 1 1 A 18 18 VAL H H 18 8.228 8.486 -0.258 1
1 135 . 9 1 1 A 18 18 VAL CA C 18 60.586 62.066 -1.480 1
1 136 . 9 1 1 A 18 18 VAL HA H 18 4.807 4.430 0.377 1
1 137 . 9 1 1 A 18 18 VAL CB C 18 33.601 33.990 -0.389 1
1 147 . 9 1 1 A 18 18 VAL C C 18 174.118 175.511 -1.393 1
1 148 . 9 1 1 A 19 19 PHE N N 19 120.586 121.534 -0.948 1
1 149 . 9 1 1 A 19 19 PHE H H 19 7.429 7.098 0.331 1
1 150 . 9 1 1 A 19 19 PHE CA C 19 57.947 56.653 1.294 1
1 151 . 9 1 1 A 19 19 PHE HA H 19 4.544 4.495 0.049 1
1 152 . 9 1 1 A 19 19 PHE CB C 19 43.455 42.507 0.948 1
1 162 . 9 1 1 A 19 19 PHE C C 19 172.947 173.142 -0.195 1
1 164 . 9 1 1 A 20 20 GLU N N 20 126.790 126.633 0.157 1
1 165 . 9 1 1 A 20 20 GLU H H 20 7.620 8.312 -0.692 1
1 166 . 9 1 1 A 20 20 GLU CA C 20 55.117 54.859 0.258 1
1 167 . 9 1 1 A 20 20 GLU HA H 20 5.059 4.828 0.231 1
1 168 . 9 1 1 A 20 20 GLU CB C 20 32.091 32.167 -0.076 1
1 172 . 9 1 1 A 20 20 GLU C C 20 174.073 174.158 -0.085 1
1 175 . 9 1 1 A 21 21 ARG N N 21 125.153 127.445 -2.292 1
1 176 . 9 1 1 A 21 21 ARG H H 21 8.806 8.601 0.205 1
1 177 . 9 1 1 A 21 21 ARG CA C 21 56.532 54.456 2.076 1
1 178 . 9 1 1 A 21 21 ARG HA H 21 4.234 4.780 -0.546 1
1 179 . 9 1 1 A 21 21 ARG CB C 21 33.707 33.882 -0.175 1
1 185 . 9 1 1 A 21 21 ARG C C 21 176.293 174.793 1.500 1
1 189 . 9 1 1 A 22 22 GLU N N 22 132.286 124.787 7.499 1
1 190 . 9 1 1 A 22 22 GLU H H 22 9.887 8.710 1.177 1
1 191 . 9 1 1 A 22 22 GLU CA C 22 57.271 57.842 -0.571 1
1 192 . 9 1 1 A 22 22 GLU HA H 22 3.968 4.120 -0.152 1
1 193 . 9 1 1 A 22 22 GLU CB C 22 28.595 29.112 -0.517 1
1 197 . 9 1 1 A 22 22 GLU C C 22 175.219 177.106 -1.887 1
1 200 . 9 1 1 A 23 23 GLY N N 23 103.445 113.604 -10.159 1
1 201 . 9 1 1 A 23 23 GLY H H 23 8.570 8.997 -0.427 1
1 202 . 9 1 1 A 23 23 GLY CA C 23 45.698 45.319 0.379 1
1 203 . 9 1 1 A 23 23 GLY HA3 H 23 4.242 4.163 0.079 1
1 204 . 9 1 1 A 23 23 GLY C C 23 173.517 174.221 -0.704 1
1 205 . 9 1 1 A 23 23 GLY HA2 H 23 3.658 4.155 -0.497 1
1 206 . 9 1 1 A 24 24 VAL N N 24 124.489 120.560 3.929 1
1 207 . 9 1 1 A 24 24 VAL H H 24 8.016 8.263 -0.247 1
1 208 . 9 1 1 A 24 24 VAL CA C 24 61.341 61.470 -0.129 1
1 209 . 9 1 1 A 24 24 VAL HA H 24 4.780 4.546 0.234 1
1 210 . 9 1 1 A 24 24 VAL CB C 24 32.051 33.806 -1.755 1
1 220 . 9 1 1 A 24 24 VAL C C 24 175.459 174.981 0.478 1
1 221 . 9 1 1 A 25 25 GLN N N 25 123.296 125.656 -2.360 1
1 222 . 9 1 1 A 25 25 GLN H H 25 8.446 8.663 -0.217 1
1 223 . 9 1 1 A 25 25 GLN CA C 25 53.879 54.264 -0.385 1
1 224 . 9 1 1 A 25 25 GLN HA H 25 5.378 5.153 0.225 1
1 225 . 9 1 1 A 25 25 GLN CB C 25 33.065 32.689 0.376 1
1 232 . 9 1 1 A 25 25 GLN C C 25 174.348 174.054 0.294 1
1 235 . 9 1 1 A 26 26 LEU N N 26 120.847 125.798 -4.951 1
1 236 . 9 1 1 A 26 26 LEU H H 26 8.579 9.006 -0.427 1
1 237 . 9 1 1 A 26 26 LEU CA C 26 53.914 53.597 0.317 1
1 238 . 9 1 1 A 26 26 LEU HA H 26 5.400 5.361 0.039 1
1 239 . 9 1 1 A 26 26 LEU CB C 26 47.336 45.965 1.371 1
1 251 . 9 1 1 A 26 26 LEU C C 26 174.842 175.081 -0.239 1
1 253 . 9 1 1 A 27 27 ASN N N 27 124.346 124.723 -0.377 1
1 254 . 9 1 1 A 27 27 ASN H H 27 8.738 9.087 -0.349 1
1 255 . 9 1 1 A 27 27 ASN CA C 27 52.063 51.680 0.383 1
1 256 . 9 1 1 A 27 27 ASN HA H 27 5.542 5.388 0.154 1
1 257 . 9 1 1 A 27 27 ASN CB C 27 43.866 41.871 1.995 1
1 262 . 9 1 1 A 27 27 ASN C C 27 173.520 173.572 -0.052 1
1 264 . 9 1 1 A 28 28 LEU N N 28 124.198 125.789 -1.591 1
1 265 . 9 1 1 A 28 28 LEU H H 28 9.406 8.638 0.768 1
1 266 . 9 1 1 A 28 28 LEU CA C 28 53.773 53.220 0.553 1
1 267 . 9 1 1 A 28 28 LEU HA H 28 4.995 5.200 -0.205 1
1 268 . 9 1 1 A 28 28 LEU CB C 28 44.307 45.087 -0.780 1
1 280 . 9 1 1 A 28 28 LEU C C 28 174.670 174.976 -0.306 1
1 282 . 9 1 1 A 29 29 SER N N 29 115.017 121.007 -5.990 1
1 283 . 9 1 1 A 29 29 SER H H 29 8.314 8.692 -0.378 1
1 284 . 9 1 1 A 29 29 SER CA C 29 56.340 56.538 -0.198 1
1 285 . 9 1 1 A 29 29 SER HA H 29 4.807 5.377 -0.570 1
1 286 . 9 1 1 A 29 29 SER CB C 29 65.926 65.477 0.449 1
1 288 . 9 1 1 A 29 29 SER C C 29 172.842 172.737 0.105 1
1 290 . 9 1 1 A 30 30 PHE N N 30 119.941 123.571 -3.630 1
1 291 . 9 1 1 A 30 30 PHE H H 30 9.366 9.066 0.300 1
1 292 . 9 1 1 A 30 30 PHE CA C 30 57.047 56.818 0.229 1
1 293 . 9 1 1 A 30 30 PHE HA H 30 5.374 5.144 0.230 1
1 294 . 9 1 1 A 30 30 PHE CB C 30 44.307 41.807 2.500 1
1 306 . 9 1 1 A 30 30 PHE C C 30 175.242 175.276 -0.034 1
1 308 . 9 1 1 A 31 31 ILE N N 31 122.161 121.353 0.808 1
1 309 . 9 1 1 A 31 31 ILE H H 31 8.950 8.885 0.065 1
1 310 . 9 1 1 A 31 31 ILE CA C 31 60.680 60.246 0.434 1
1 311 . 9 1 1 A 31 31 ILE HA H 31 4.338 4.890 -0.552 1
1 312 . 9 1 1 A 31 31 ILE CB C 31 42.354 41.704 0.650 1
1 324 . 9 1 1 A 31 31 ILE C C 31 174.368 175.324 -0.956 1
1 326 . 9 1 1 A 32 32 ARG N N 32 128.976 127.339 1.637 1
1 327 . 9 1 1 A 32 32 ARG H H 32 8.773 8.924 -0.151 1
1 328 . 9 1 1 A 32 32 ARG CA C 32 51.444 52.612 -1.168 1
1 329 . 9 1 1 A 32 32 ARG HA H 32 5.263 4.832 0.431 1
1 330 . 9 1 1 A 32 32 ARG CB C 32 29.600 31.429 -1.829 1
1 338 . 9 1 1 A 32 32 ARG C C 32 173.585 173.825 -0.240 1
1 342 . 9 1 1 A 33 33 PRO CA C 33 60.759 61.900 -1.141 1
1 343 . 9 1 1 A 33 33 PRO HA H 33 4.581 4.676 -0.095 1
1 344 . 9 1 1 A 33 33 PRO CB C 33 32.219 32.493 -0.274 1
1 353 . 9 1 1 A 34 34 PRO CA C 34 64.464 65.229 -0.765 1
1 354 . 9 1 1 A 34 34 PRO HA H 34 4.236 4.226 0.010 1
1 355 . 9 1 1 A 34 34 PRO CB C 34 31.997 32.055 -0.058 1
1 361 . 9 1 1 A 34 34 PRO C C 34 178.240 178.544 -0.304 1
1 365 . 9 1 1 A 35 35 GLU N N 35 115.025 116.249 -1.224 1
1 366 . 9 1 1 A 35 35 GLU H H 35 9.287 8.882 0.405 1
1 367 . 9 1 1 A 35 35 GLU CA C 35 57.753 58.901 -1.148 1
1 368 . 9 1 1 A 35 35 GLU HA H 35 4.205 4.121 0.084 1
1 369 . 9 1 1 A 35 35 GLU CB C 35 28.595 28.890 -0.295 1
1 373 . 9 1 1 A 35 35 GLU C C 35 176.471 176.933 -0.462 1
1 376 . 9 1 1 A 36 36 ASN N N 36 114.302 117.995 -3.693 1
1 377 . 9 1 1 A 36 36 ASN H H 36 7.257 7.879 -0.622 1
1 378 . 9 1 1 A 36 36 ASN CA C 36 50.593 50.240 0.353 1
1 379 . 9 1 1 A 36 36 ASN HA H 36 5.024 5.175 -0.151 1
1 380 . 9 1 1 A 36 36 ASN CB C 36 39.094 38.920 0.174 1
1 385 . 9 1 1 A 36 36 ASN C C 36 172.128 173.490 -1.362 1
1 387 . 9 1 1 A 37 37 PRO CA C 37 64.287 64.755 -0.468 1
1 388 . 9 1 1 A 37 37 PRO HA H 37 4.600 4.358 0.242 1
1 389 . 9 1 1 A 37 37 PRO CB C 37 32.235 31.986 0.249 1
1 394 . 9 1 1 A 37 37 PRO C C 37 176.707 177.879 -1.172 1
1 398 . 9 1 1 A 38 38 ALA N N 38 117.780 117.597 0.183 1
1 399 . 9 1 1 A 38 38 ALA H H 38 7.596 8.026 -0.430 1
1 400 . 9 1 1 A 38 38 ALA CA C 38 52.674 53.182 -0.508 1
1 401 . 9 1 1 A 38 38 ALA HA H 38 4.262 4.301 -0.039 1
1 402 . 9 1 1 A 38 38 ALA CB C 38 19.201 19.412 -0.211 1
1 406 . 9 1 1 A 38 38 ALA C C 38 176.546 177.093 -0.547 1
1 407 . 9 1 1 A 39 39 LEU N N 39 122.870 120.830 2.040 1
1 408 . 9 1 1 A 39 39 LEU H H 39 7.963 7.140 0.823 1
1 409 . 9 1 1 A 39 39 LEU CA C 39 54.548 54.047 0.501 1
1 410 . 9 1 1 A 39 39 LEU HA H 39 4.953 4.804 0.149 1
1 411 . 9 1 1 A 39 39 LEU CB C 39 44.768 44.058 0.710 1
1 423 . 9 1 1 A 39 39 LEU C C 39 173.627 175.273 -1.646 1
1 425 . 9 1 1 A 40 40 LEU N N 40 125.985 129.097 -3.112 1
1 426 . 9 1 1 A 40 40 LEU H H 40 9.247 8.979 0.268 1
1 427 . 9 1 1 A 40 40 LEU CA C 40 53.914 53.587 0.327 1
1 428 . 9 1 1 A 40 40 LEU HA H 40 5.018 5.174 -0.156 1
1 429 . 9 1 1 A 40 40 LEU CB C 40 45.014 44.476 0.538 1
1 441 . 9 1 1 A 40 40 LEU C C 40 174.170 174.913 -0.743 1
1 443 . 9 1 1 A 41 41 LEU N N 41 125.906 128.847 -2.941 1
1 444 . 9 1 1 A 41 41 LEU H H 41 9.224 9.192 0.032 1
1 445 . 9 1 1 A 41 41 LEU CA C 41 53.190 54.010 -0.820 1
1 446 . 9 1 1 A 41 41 LEU HA H 41 5.222 4.879 0.343 1
1 447 . 9 1 1 A 41 41 LEU CB C 41 42.034 41.355 0.679 1
1 459 . 9 1 1 A 41 41 LEU C C 41 177.109 175.940 1.169 1
1 461 . 9 1 1 A 42 42 ILE N N 42 124.731 125.449 -0.718 1
1 462 . 9 1 1 A 42 42 ILE H H 42 9.087 8.690 0.397 1
1 463 . 9 1 1 A 42 42 ILE CA C 42 59.794 59.898 -0.104 1
1 464 . 9 1 1 A 42 42 ILE HA H 42 5.055 5.110 -0.055 1
1 465 . 9 1 1 A 42 42 ILE CB C 42 41.019 40.239 0.780 1
1 477 . 9 1 1 A 42 42 ILE C C 42 175.074 175.115 -0.041 1
1 479 . 9 1 1 A 43 43 THR N N 43 123.315 122.030 1.285 1
1 480 . 9 1 1 A 43 43 THR H H 43 8.589 8.881 -0.292 1
1 481 . 9 1 1 A 43 43 THR CA C 43 61.677 61.488 0.189 1
1 482 . 9 1 1 A 43 43 THR HA H 43 5.023 5.542 -0.519 1
1 483 . 9 1 1 A 43 43 THR CB C 43 69.838 72.567 -2.729 1
1 489 . 9 1 1 A 43 43 THR C C 43 174.993 173.788 1.205 1
1 490 . 9 1 1 A 44 44 ILE N N 44 126.677 124.565 2.112 1
1 491 . 9 1 1 A 44 44 ILE H H 44 9.329 8.949 0.380 1
1 492 . 9 1 1 A 44 44 ILE CA C 44 59.794 59.590 0.204 1
1 493 . 9 1 1 A 44 44 ILE HA H 44 4.953 5.007 -0.054 1
1 494 . 9 1 1 A 44 44 ILE CB C 44 38.754 40.987 -2.233 1
1 506 . 9 1 1 A 44 44 ILE C C 44 174.670 175.479 -0.809 1
1 508 . 9 1 1 A 45 45 THR N N 45 120.442 120.816 -0.374 1
1 509 . 9 1 1 A 45 45 THR H H 45 8.740 8.526 0.214 1
1 510 . 9 1 1 A 45 45 THR CA C 45 61.579 61.630 -0.051 1
1 511 . 9 1 1 A 45 45 THR HA H 45 5.266 5.172 0.094 1
1 512 . 9 1 1 A 45 45 THR CB C 45 70.338 71.125 -0.787 1
1 518 . 9 1 1 A 45 45 THR C C 45 174.494 173.138 1.356 1
1 519 . 9 1 1 A 46 46 ALA N N 46 134.267 130.427 3.840 1
1 520 . 9 1 1 A 46 46 ALA H H 46 9.489 8.532 0.957 1
1 521 . 9 1 1 A 46 46 ALA CA C 46 49.846 50.307 -0.461 1
1 522 . 9 1 1 A 46 46 ALA HA H 46 5.554 5.041 0.513 1
1 523 . 9 1 1 A 46 46 ALA CB C 46 20.414 20.589 -0.175 1
1 527 . 9 1 1 A 46 46 ALA C C 46 174.819 176.564 -1.745 1
1 528 . 9 1 1 A 47 47 THR N N 47 111.611 115.244 -3.633 1
1 529 . 9 1 1 A 47 47 THR H H 47 8.431 8.552 -0.121 1
1 530 . 9 1 1 A 47 47 THR CA C 47 59.331 59.752 -0.421 1
1 531 . 9 1 1 A 47 47 THR HA H 47 4.409 5.113 -0.704 1
1 532 . 9 1 1 A 47 47 THR CB C 47 71.655 70.787 0.868 1
1 538 . 9 1 1 A 47 47 THR C C 47 173.104 172.878 0.226 1
1 539 . 9 1 1 A 48 48 ASN N N 48 117.087 121.648 -4.561 1
1 540 . 9 1 1 A 48 48 ASN H H 48 8.647 8.409 0.238 1
1 541 . 9 1 1 A 48 48 ASN CA C 48 51.019 51.712 -0.693 1
1 542 . 9 1 1 A 48 48 ASN HA H 48 5.096 5.281 -0.185 1
1 543 . 9 1 1 A 48 48 ASN CB C 48 39.880 41.735 -1.855 1
1 548 . 9 1 1 A 48 48 ASN C C 48 173.769 174.186 -0.417 1
1 550 . 9 1 1 A 49 49 PHE N N 49 123.238 123.276 -0.038 1
1 551 . 9 1 1 A 49 49 PHE H H 49 9.105 8.342 0.763 1
1 552 . 9 1 1 A 49 49 PHE CA C 49 57.422 58.728 -1.306 1
1 553 . 9 1 1 A 49 49 PHE HA H 49 4.601 4.716 -0.115 1
1 554 . 9 1 1 A 49 49 PHE CB C 49 38.770 40.818 -2.048 1
1 566 . 9 1 1 A 49 49 PHE C C 49 176.238 175.487 0.751 1
1 568 . 9 1 1 A 50 50 SER N N 50 118.477 113.988 4.489 1
1 569 . 9 1 1 A 50 50 SER H H 50 8.344 7.763 0.581 1
1 570 . 9 1 1 A 50 50 SER CA C 50 58.654 58.401 0.253 1
1 571 . 9 1 1 A 50 50 SER HA H 50 4.933 4.517 0.416 1
1 572 . 9 1 1 A 50 50 SER CB C 50 66.611 65.005 1.606 1
1 573 . 9 1 1 A 50 50 SER C C 50 173.089 175.558 -2.469 1
1 574 . 9 1 1 A 51 51 GLU N N 51 114.036 118.651 -4.615 1
1 575 . 9 1 1 A 51 51 GLU H H 51 9.051 9.072 -0.021 1
1 576 . 9 1 1 A 51 51 GLU CA C 51 56.701 56.104 0.597 1
1 577 . 9 1 1 A 51 51 GLU HA H 51 4.358 4.517 -0.159 1
1 578 . 9 1 1 A 51 51 GLU CB C 51 30.323 29.244 1.079 1
1 582 . 9 1 1 A 51 51 GLU C C 51 175.603 176.153 -0.550 1
1 585 . 9 1 1 A 52 52 GLY N N 52 109.625 109.115 0.510 1
1 586 . 9 1 1 A 52 52 GLY H H 52 8.525 7.799 0.726 1
1 587 . 9 1 1 A 52 52 GLY CA C 52 44.267 44.228 0.039 1
1 588 . 9 1 1 A 52 52 GLY HA3 H 52 4.505 3.687 0.818 1
1 589 . 9 1 1 A 52 52 GLY C C 52 173.168 173.030 0.138 1
1 590 . 9 1 1 A 52 52 GLY HA2 H 52 2.842 2.978 -0.136 1
1 591 . 9 1 1 A 53 53 ASP N N 53 125.175 124.440 0.735 1
1 592 . 9 1 1 A 53 53 ASP H H 53 9.001 8.651 0.350 1
1 593 . 9 1 1 A 53 53 ASP CA C 53 55.793 54.392 1.401 1
1 594 . 9 1 1 A 53 53 ASP HA H 53 4.082 4.458 -0.376 1
1 595 . 9 1 1 A 53 53 ASP CB C 53 40.522 40.977 -0.455 1
1 597 . 9 1 1 A 53 53 ASP C C 53 176.506 175.806 0.700 1
1 599 . 9 1 1 A 54 54 VAL N N 54 125.250 123.866 1.384 1
1 600 . 9 1 1 A 54 54 VAL H H 54 7.873 8.408 -0.535 1
1 601 . 9 1 1 A 54 54 VAL CA C 54 61.350 61.180 0.170 1
1 602 . 9 1 1 A 54 54 VAL HA H 54 4.759 4.428 0.331 1
1 603 . 9 1 1 A 54 54 VAL CB C 54 32.808 32.194 0.614 1
1 613 . 9 1 1 A 54 54 VAL C C 54 176.126 175.197 0.929 1
1 614 . 9 1 1 A 55 55 THR N N 55 116.888 117.650 -0.762 1
1 615 . 9 1 1 A 55 55 THR H H 55 9.004 8.459 0.545 1
1 616 . 9 1 1 A 55 55 THR CA C 55 59.194 59.767 -0.573 1
1 617 . 9 1 1 A 55 55 THR HA H 55 4.920 4.807 0.113 1
1 618 . 9 1 1 A 55 55 THR CB C 55 72.508 71.998 0.510 1
1 624 . 9 1 1 A 55 55 THR C C 55 173.166 173.443 -0.277 1
1 625 . 9 1 1 A 56 56 HIS N N 56 115.667 116.729 -1.062 1
1 626 . 9 1 1 A 56 56 HIS H H 56 9.193 8.415 0.778 1
1 627 . 9 1 1 A 56 56 HIS CA C 56 56.363 56.772 -0.409 1
1 628 . 9 1 1 A 56 56 HIS HA H 56 4.153 4.057 0.096 1
1 629 . 9 1 1 A 56 56 HIS CB C 56 26.923 27.113 -0.190 1
1 635 . 9 1 1 A 56 56 HIS C C 56 173.611 173.697 -0.086 1
1 637 . 9 1 1 A 57 57 PHE N N 57 118.625 118.537 0.088 1
1 638 . 9 1 1 A 57 57 PHE H H 57 8.932 8.037 0.895 1
1 639 . 9 1 1 A 57 57 PHE CA C 57 59.503 57.868 1.635 1
1 640 . 9 1 1 A 57 57 PHE HA H 57 4.819 4.862 -0.043 1
1 641 . 9 1 1 A 57 57 PHE CB C 57 39.871 40.112 -0.241 1
1 653 . 9 1 1 A 57 57 PHE C C 57 176.025 174.339 1.686 1
1 655 . 9 1 1 A 58 58 ILE N N 58 131.418 127.473 3.945 1
1 656 . 9 1 1 A 58 58 ILE H H 58 8.989 9.177 -0.188 1
1 657 . 9 1 1 A 58 58 ILE CA C 58 61.138 59.837 1.301 1
1 658 . 9 1 1 A 58 58 ILE HA H 58 4.001 4.461 -0.460 1
1 659 . 9 1 1 A 58 58 ILE CB C 58 41.349 40.405 0.944 1
1 671 . 9 1 1 A 58 58 ILE C C 58 173.046 173.898 -0.852 1
1 673 . 9 1 1 A 59 59 CYS N N 59 126.838 127.748 -0.910 1
1 674 . 9 1 1 A 59 59 CYS H H 59 8.844 8.731 0.113 1
1 675 . 9 1 1 A 59 59 CYS CA C 59 56.902 56.870 0.032 1
1 676 . 9 1 1 A 59 59 CYS HA H 59 5.044 5.058 -0.014 1
1 677 . 9 1 1 A 59 59 CYS CB C 59 28.363 29.087 -0.724 1
1 679 . 9 1 1 A 59 59 CYS C C 59 173.375 173.398 -0.023 1
1 681 . 9 1 1 A 60 60 GLN N N 60 126.903 126.289 0.614 1
1 682 . 9 1 1 A 60 60 GLN H H 60 8.929 8.702 0.227 1
1 683 . 9 1 1 A 60 60 GLN CA C 60 54.162 54.564 -0.402 1
1 684 . 9 1 1 A 60 60 GLN HA H 60 4.656 5.137 -0.481 1
1 685 . 9 1 1 A 60 60 GLN CB C 60 31.991 31.443 0.548 1
1 691 . 9 1 1 A 60 60 GLN C C 60 174.000 174.741 -0.741 1
1 694 . 9 1 1 A 61 61 ALA N N 61 124.049 121.680 2.369 1
1 695 . 9 1 1 A 61 61 ALA H H 61 8.178 8.676 -0.498 1
1 696 . 9 1 1 A 61 61 ALA CA C 61 50.160 51.132 -0.972 1
1 697 . 9 1 1 A 61 61 ALA HA H 61 5.192 5.317 -0.125 1
1 698 . 9 1 1 A 61 61 ALA CB C 61 23.419 23.689 -0.270 1
1 702 . 9 1 1 A 61 61 ALA C C 61 175.076 175.355 -0.279 1
1 703 . 9 1 1 A 62 62 ALA N N 62 121.362 121.353 0.009 1
1 704 . 9 1 1 A 62 62 ALA H H 62 8.488 8.595 -0.107 1
1 705 . 9 1 1 A 62 62 ALA CA C 62 51.309 50.785 0.524 1
1 706 . 9 1 1 A 62 62 ALA HA H 62 4.667 5.271 -0.604 1
1 707 . 9 1 1 A 62 62 ALA CB C 62 22.617 22.464 0.153 1
1 711 . 9 1 1 A 62 62 ALA C C 62 176.013 175.972 0.041 1
1 712 . 9 1 1 A 63 63 VAL N N 63 113.572 116.953 -3.381 1
1 713 . 9 1 1 A 63 63 VAL H H 63 8.271 8.702 -0.431 1
1 714 . 9 1 1 A 63 63 VAL CA C 63 57.691 58.017 -0.326 1
1 715 . 9 1 1 A 63 63 VAL HA H 63 5.045 4.888 0.157 1
1 716 . 9 1 1 A 63 63 VAL CB C 63 32.968 33.854 -0.886 1
1 726 . 9 1 1 A 63 63 VAL C C 63 173.707 173.639 0.068 1
1 727 . 9 1 1 A 64 64 PRO CA C 64 62.757 62.702 0.055 1
1 728 . 9 1 1 A 64 64 PRO HA H 64 4.459 4.656 -0.197 1
1 729 . 9 1 1 A 64 64 PRO CB C 64 32.728 32.551 0.177 1
1 735 . 9 1 1 A 64 64 PRO C C 64 176.348 177.678 -1.330 1
1 739 . 9 1 1 A 65 65 LYS N N 65 118.624 123.819 -5.195 1
1 740 . 9 1 1 A 65 65 LYS H H 65 8.323 8.539 -0.216 1
1 741 . 9 1 1 A 65 65 LYS CA C 65 58.516 60.113 -1.597 1
1 742 . 9 1 1 A 65 65 LYS HA H 65 4.183 3.895 0.288 1
1 743 . 9 1 1 A 65 65 LYS CB C 65 32.320 32.326 -0.006 1
1 751 . 9 1 1 A 65 65 LYS C C 65 176.595 178.869 -2.274 1
1 756 . 9 1 1 A 66 66 SER N N 66 111.762 114.239 -2.477 1
1 757 . 9 1 1 A 66 66 SER H H 66 7.779 8.273 -0.494 1
1 758 . 9 1 1 A 66 66 SER CA C 66 59.298 61.560 -2.262 1
1 759 . 9 1 1 A 66 66 SER HA H 66 4.234 4.153 0.081 1
1 760 . 9 1 1 A 66 66 SER CB C 66 62.984 63.245 -0.261 1
1 762 . 9 1 1 A 66 66 SER C C 66 174.137 173.994 0.143 1
1 764 . 9 1 1 A 67 67 LEU N N 67 124.569 119.963 4.606 1
1 765 . 9 1 1 A 67 67 LEU H H 67 8.109 8.310 -0.201 1
1 766 . 9 1 1 A 67 67 LEU CA C 67 54.940 53.100 1.840 1
1 767 . 9 1 1 A 67 67 LEU HA H 67 4.836 5.084 -0.248 1
1 768 . 9 1 1 A 67 67 LEU CB C 67 43.882 44.888 -1.006 1
1 780 . 9 1 1 A 67 67 LEU C C 67 174.925 175.456 -0.531 1
1 782 . 9 1 1 A 68 68 GLN N N 68 117.163 120.986 -3.823 1
1 783 . 9 1 1 A 68 68 GLN H H 68 8.063 8.844 -0.781 1
1 784 . 9 1 1 A 68 68 GLN CA C 68 54.829 54.122 0.707 1
1 785 . 9 1 1 A 68 68 GLN HA H 68 4.674 5.198 -0.524 1
1 786 . 9 1 1 A 68 68 GLN CB C 68 31.579 32.212 -0.633 1
1 793 . 9 1 1 A 68 68 GLN C C 68 174.077 173.930 0.147 1
1 796 . 9 1 1 A 69 69 LEU N N 69 126.046 124.014 2.032 1
1 797 . 9 1 1 A 69 69 LEU H H 69 8.676 8.744 -0.068 1
1 798 . 9 1 1 A 69 69 LEU CA C 69 54.073 53.998 0.075 1
1 799 . 9 1 1 A 69 69 LEU HA H 69 5.231 5.114 0.117 1
1 800 . 9 1 1 A 69 69 LEU CB C 69 45.602 46.204 -0.602 1
1 811 . 9 1 1 A 69 69 LEU C C 69 175.497 174.420 1.077 1
1 813 . 9 1 1 A 70 70 GLN N N 70 126.758 125.451 1.307 1
1 814 . 9 1 1 A 70 70 GLN H H 70 9.410 9.009 0.401 1
1 815 . 9 1 1 A 70 70 GLN CA C 70 54.657 54.390 0.267 1
1 816 . 9 1 1 A 70 70 GLN HA H 70 4.746 4.957 -0.211 1
1 817 . 9 1 1 A 70 70 GLN CB C 70 31.537 32.723 -1.186 1
1 824 . 9 1 1 A 70 70 GLN C C 70 174.686 174.217 0.469 1
1 827 . 9 1 1 A 71 71 LEU N N 71 126.413 128.154 -1.741 1
1 828 . 9 1 1 A 71 71 LEU H H 71 8.936 8.712 0.224 1
1 829 . 9 1 1 A 71 71 LEU CA C 71 55.294 54.344 0.950 1
1 830 . 9 1 1 A 71 71 LEU HA H 71 4.752 4.620 0.132 1
1 831 . 9 1 1 A 71 71 LEU CB C 71 43.898 42.911 0.987 1
1 843 . 9 1 1 A 71 71 LEU C C 71 176.498 175.620 0.878 1
1 845 . 9 1 1 A 72 72 GLN N N 72 121.553 127.492 -5.939 1
1 846 . 9 1 1 A 72 72 GLN H H 72 8.100 7.862 0.238 1
1 847 . 9 1 1 A 72 72 GLN CA C 72 54.209 54.659 -0.450 1
1 848 . 9 1 1 A 72 72 GLN HA H 72 4.589 4.184 0.405 1
1 849 . 9 1 1 A 72 72 GLN CB C 72 31.142 29.703 1.439 1
1 856 . 9 1 1 A 72 72 GLN C C 72 174.254 175.568 -1.314 1
1 859 . 9 1 1 A 73 73 ALA N N 73 124.262 125.902 -1.640 1
1 860 . 9 1 1 A 73 73 ALA H H 73 8.452 8.319 0.133 1
1 861 . 9 1 1 A 73 73 ALA CA C 73 51.211 50.138 1.073 1
1 862 . 9 1 1 A 73 73 ALA HA H 73 4.500 4.344 0.156 1
1 863 . 9 1 1 A 73 73 ALA CB C 73 17.185 19.339 -2.154 1
1 867 . 9 1 1 A 73 73 ALA C C 73 176.548 175.887 0.661 1
1 868 . 9 1 1 A 74 74 PRO CA C 74 62.160 62.291 -0.131 1
1 869 . 9 1 1 A 74 74 PRO HA H 74 4.848 4.562 0.286 1
1 870 . 9 1 1 A 74 74 PRO CB C 74 32.897 33.255 -0.358 1
1 874 . 9 1 1 A 74 74 PRO C C 74 177.266 176.407 0.859 1
1 878 . 9 1 1 A 75 75 SER N N 75 115.398 115.402 -0.004 1
1 879 . 9 1 1 A 75 75 SER H H 75 9.293 8.762 0.531 1
1 880 . 9 1 1 A 75 75 SER CA C 75 61.024 59.186 1.838 1
1 881 . 9 1 1 A 75 75 SER HA H 75 4.154 4.487 -0.333 1
1 882 . 9 1 1 A 75 75 SER CB C 75 62.867 64.603 -1.736 1
1 884 . 9 1 1 A 75 75 SER C C 75 174.460 174.234 0.226 1
1 886 . 9 1 1 A 76 76 GLY N N 76 106.233 107.467 -1.234 1
1 887 . 9 1 1 A 76 76 GLY H H 76 7.208 7.191 0.017 1
1 888 . 9 1 1 A 76 76 GLY CA C 76 44.930 45.828 -0.898 1
1 889 . 9 1 1 A 76 76 GLY HA3 H 76 4.306 3.980 0.326 1
1 890 . 9 1 1 A 76 76 GLY C C 76 171.327 172.673 -1.346 1
1 891 . 9 1 1 A 76 76 GLY HA2 H 76 4.095 3.966 0.129 1
1 892 . 9 1 1 A 77 77 ASN CA C 77 53.060 52.661 0.399 1
1 893 . 9 1 1 A 77 77 ASN HA H 77 5.001 4.753 0.248 1
1 894 . 9 1 1 A 77 77 ASN CB C 77 40.650 36.534 4.116 1
1 899 . 9 1 1 A 77 77 ASN C C 77 173.427 173.345 0.082 1
1 901 . 9 1 1 A 78 78 THR N N 78 114.705 114.335 0.370 1
1 902 . 9 1 1 A 78 78 THR H H 78 7.579 8.046 -0.467 1
1 903 . 9 1 1 A 78 78 THR CA C 78 59.766 61.134 -1.368 1
1 904 . 9 1 1 A 78 78 THR HA H 78 5.174 4.931 0.243 1
1 905 . 9 1 1 A 78 78 THR CB C 78 71.855 71.998 -0.143 1
1 911 . 9 1 1 A 78 78 THR C C 78 173.138 173.233 -0.095 1
1 912 . 9 1 1 A 79 79 VAL N N 79 123.606 125.100 -1.494 1
1 913 . 9 1 1 A 79 79 VAL H H 79 8.696 9.150 -0.454 1
1 914 . 9 1 1 A 79 79 VAL CA C 79 58.982 58.789 0.193 1
1 915 . 9 1 1 A 79 79 VAL HA H 79 4.495 4.472 0.023 1
1 916 . 9 1 1 A 79 79 VAL CB C 79 32.717 35.599 -2.882 1
1 926 . 9 1 1 A 79 79 VAL C C 79 174.289 173.870 0.419 1
1 927 . 9 1 1 A 80 80 PRO CA C 80 63.184 62.288 0.896 1
1 928 . 9 1 1 A 80 80 PRO HA H 80 4.160 4.711 -0.551 1
1 929 . 9 1 1 A 80 80 PRO CB C 80 33.128 32.139 0.989 1
1 935 . 9 1 1 A 80 80 PRO C C 80 174.009 177.560 -3.551 1
1 939 . 9 1 1 A 81 81 ALA N N 81 120.000 126.542 -6.542 1
1 940 . 9 1 1 A 81 81 ALA H H 81 8.371 8.519 -0.148 1
1 941 . 9 1 1 A 81 81 ALA CA C 81 51.951 53.368 -1.417 1
1 942 . 9 1 1 A 81 81 ALA HA H 81 3.715 4.180 -0.465 1
1 943 . 9 1 1 A 81 81 ALA CB C 81 20.029 18.870 1.159 1
1 947 . 9 1 1 A 81 81 ALA C C 81 176.740 177.711 -0.971 1
1 948 . 9 1 1 A 82 82 ARG N N 82 111.901 117.604 -5.703 1
1 949 . 9 1 1 A 82 82 ARG H H 82 8.724 7.639 1.085 1
1 950 . 9 1 1 A 82 82 ARG CA C 82 57.062 55.194 1.868 1
1 951 . 9 1 1 A 82 82 ARG HA H 82 3.665 4.547 -0.882 1
1 952 . 9 1 1 A 82 82 ARG CB C 82 26.959 30.504 -3.545 1
1 958 . 9 1 1 A 82 82 ARG C C 82 176.777 175.690 1.087 1
1 962 . 9 1 1 A 83 83 GLY N N 83 107.610 109.085 -1.475 1
1 963 . 9 1 1 A 83 83 GLY H H 83 9.251 7.923 1.328 1
1 964 . 9 1 1 A 83 83 GLY CA C 83 46.389 46.857 -0.468 1
1 965 . 9 1 1 A 83 83 GLY HA3 H 83 3.731 4.116 -0.385 1
1 966 . 9 1 1 A 83 83 GLY C C 83 176.193 174.784 1.409 1
1 967 . 9 1 1 A 83 83 GLY HA2 H 83 3.352 3.615 -0.263 1
1 968 . 9 1 1 A 84 84 GLY N N 84 106.030 107.101 -1.071 1
1 969 . 9 1 1 A 84 84 GLY H H 84 7.015 8.082 -1.067 1
1 970 . 9 1 1 A 84 84 GLY CA C 84 45.272 44.587 0.685 1
1 971 . 9 1 1 A 84 84 GLY HA3 H 84 3.537 4.027 -0.490 1
1 972 . 9 1 1 A 84 84 GLY C C 84 171.651 173.241 -1.590 1
1 973 . 9 1 1 A 84 84 GLY HA2 H 84 3.891 4.002 -0.111 1
1 974 . 9 1 1 A 85 85 LEU N N 85 120.524 122.378 -1.854 1
1 975 . 9 1 1 A 85 85 LEU H H 85 7.903 7.986 -0.083 1
1 976 . 9 1 1 A 85 85 LEU CA C 85 53.494 51.035 2.459 1
1 977 . 9 1 1 A 85 85 LEU HA H 85 4.346 4.927 -0.581 1
1 978 . 9 1 1 A 85 85 LEU CB C 85 42.901 44.865 -1.964 1
1 990 . 9 1 1 A 85 85 LEU C C 85 174.362 174.884 -0.522 1
1 992 . 9 1 1 A 86 86 PRO CA C 86 62.752 62.210 0.542 1
1 993 . 9 1 1 A 86 86 PRO HA H 86 4.570 4.831 -0.261 1
1 994 . 9 1 1 A 86 86 PRO CB C 86 33.557 32.639 0.918 1
1 1000 . 9 1 1 A 86 86 PRO C C 86 178.338 175.900 2.438 1
1 1004 . 9 1 1 A 87 87 ILE N N 87 118.504 121.645 -3.141 1
1 1005 . 9 1 1 A 87 87 ILE H H 87 7.544 8.511 -0.967 1
1 1006 . 9 1 1 A 87 87 ILE CA C 87 60.571 60.915 -0.344 1
1 1007 . 9 1 1 A 87 87 ILE HA H 87 4.021 4.536 -0.515 1
1 1008 . 9 1 1 A 87 87 ILE CB C 87 40.787 39.047 1.740 1
1 1020 . 9 1 1 A 87 87 ILE C C 87 175.620 175.738 -0.118 1
1 1022 . 9 1 1 A 88 88 THR N N 88 115.839 118.490 -2.651 1
1 1023 . 9 1 1 A 88 88 THR H H 88 8.788 8.986 -0.198 1
1 1024 . 9 1 1 A 88 88 THR CA C 88 58.935 60.594 -1.659 1
1 1025 . 9 1 1 A 88 88 THR HA H 88 5.678 5.639 0.039 1
1 1026 . 9 1 1 A 88 88 THR CB C 88 72.532 71.277 1.255 1
1 1032 . 9 1 1 A 88 88 THR C C 88 174.318 172.607 1.711 1
1 1033 . 9 1 1 A 89 89 GLN N N 89 121.295 125.560 -4.265 1
1 1034 . 9 1 1 A 89 89 GLN H H 89 8.399 9.150 -0.751 1
1 1035 . 9 1 1 A 89 89 GLN CA C 89 56.259 53.908 2.351 1
1 1036 . 9 1 1 A 89 89 GLN HA H 89 4.528 5.027 -0.499 1
1 1037 . 9 1 1 A 89 89 GLN CB C 89 30.760 32.244 -1.484 1
1 1044 . 9 1 1 A 89 89 GLN C C 89 172.439 174.130 -1.691 1
1 1047 . 9 1 1 A 90 90 LEU N N 90 129.715 128.182 1.533 1
1 1048 . 9 1 1 A 90 90 LEU H H 90 8.426 8.267 0.159 1
1 1049 . 9 1 1 A 90 90 LEU CA C 90 54.513 54.072 0.441 1
1 1050 . 9 1 1 A 90 90 LEU HA H 90 5.103 4.734 0.369 1
1 1051 . 9 1 1 A 90 90 LEU CB C 90 44.412 43.995 0.417 1
1 1063 . 9 1 1 A 90 90 LEU C C 90 175.027 174.387 0.640 1
1 1065 . 9 1 1 A 91 91 PHE N N 91 123.227 124.564 -1.337 1
1 1066 . 9 1 1 A 91 91 PHE H H 91 9.647 8.763 0.884 1
1 1067 . 9 1 1 A 91 91 PHE CA C 91 55.327 56.348 -1.021 1
1 1068 . 9 1 1 A 91 91 PHE HA H 91 5.064 5.329 -0.265 1
1 1069 . 9 1 1 A 91 91 PHE CB C 91 40.899 41.386 -0.487 1
1 1081 . 9 1 1 A 91 91 PHE C C 91 174.296 174.734 -0.438 1
1 1083 . 9 1 1 A 92 92 ARG N N 92 121.174 124.231 -3.057 1
1 1084 . 9 1 1 A 92 92 ARG H H 92 8.726 8.839 -0.113 1
1 1085 . 9 1 1 A 92 92 ARG CA C 92 55.046 55.934 -0.888 1
1 1086 . 9 1 1 A 92 92 ARG HA H 92 5.109 4.689 0.420 1
1 1087 . 9 1 1 A 92 92 ARG CB C 92 32.524 30.755 1.769 1
1 1093 . 9 1 1 A 92 92 ARG C C 92 175.154 174.947 0.207 1
1 1097 . 9 1 1 A 93 93 ILE N N 93 126.629 125.573 1.056 1
1 1098 . 9 1 1 A 93 93 ILE H H 93 9.599 8.853 0.746 1
1 1099 . 9 1 1 A 93 93 ILE CA C 93 59.538 59.656 -0.118 1
1 1100 . 9 1 1 A 93 93 ILE HA H 93 5.206 5.080 0.126 1
1 1101 . 9 1 1 A 93 93 ILE CB C 93 40.963 41.103 -0.140 1
1 1113 . 9 1 1 A 93 93 ILE C C 93 174.400 174.808 -0.408 1
1 1115 . 9 1 1 A 94 94 LEU N N 94 127.940 127.191 0.749 1
1 1116 . 9 1 1 A 94 94 LEU H H 94 8.853 9.015 -0.162 1
1 1117 . 9 1 1 A 94 94 LEU CA C 94 53.673 53.342 0.331 1
1 1118 . 9 1 1 A 94 94 LEU HA H 94 5.152 5.163 -0.011 1
1 1119 . 9 1 1 A 94 94 LEU CB C 94 44.245 43.382 0.863 1
1 1131 . 9 1 1 A 94 94 LEU C C 94 176.106 175.926 0.180 1
1 1133 . 9 1 1 A 95 95 ASN N N 95 119.567 122.490 -2.923 1
1 1134 . 9 1 1 A 95 95 ASN H H 95 9.271 9.046 0.225 1
1 1135 . 9 1 1 A 95 95 ASN CA C 95 49.634 50.745 -1.111 1
1 1136 . 9 1 1 A 95 95 ASN HA H 95 5.361 5.262 0.099 1
1 1137 . 9 1 1 A 95 95 ASN CB C 95 39.189 39.167 0.022 1
1 1142 . 9 1 1 A 95 95 ASN C C 95 173.779 173.864 -0.085 1
1 1144 . 9 1 1 A 96 96 PRO CA C 96 64.795 64.272 0.523 1
1 1145 . 9 1 1 A 96 96 PRO HA H 96 4.306 4.532 -0.226 1
1 1146 . 9 1 1 A 96 96 PRO CB C 96 32.010 31.871 0.139 1
1 1152 . 9 1 1 A 96 96 PRO C C 96 177.656 177.363 0.293 1
1 1156 . 9 1 1 A 97 97 ASN N N 97 114.343 114.566 -0.223 1
1 1157 . 9 1 1 A 97 97 ASN H H 97 8.840 7.754 1.086 1
1 1158 . 9 1 1 A 97 97 ASN CA C 97 52.889 52.860 0.029 1
1 1159 . 9 1 1 A 97 97 ASN HA H 97 4.828 4.783 0.045 1
1 1160 . 9 1 1 A 97 97 ASN CB C 97 38.085 39.050 -0.965 1
1 1165 . 9 1 1 A 97 97 ASN C C 97 174.361 175.392 -1.031 1
1 1167 . 9 1 1 A 98 98 LYS N N 98 118.175 116.313 1.862 1
1 1168 . 9 1 1 A 98 98 LYS H H 98 7.735 7.661 0.074 1
1 1169 . 9 1 1 A 98 98 LYS CA C 98 57.625 57.236 0.389 1
1 1170 . 9 1 1 A 98 98 LYS HA H 98 3.780 4.013 -0.233 1
1 1171 . 9 1 1 A 98 98 LYS CB C 98 29.343 29.346 -0.003 1
1 1179 . 9 1 1 A 98 98 LYS C C 98 174.779 174.772 0.007 1
1 1184 . 9 1 1 A 99 99 ALA N N 99 122.321 121.002 1.319 1
1 1185 . 9 1 1 A 99 99 ALA H H 99 8.454 7.922 0.532 1
1 1186 . 9 1 1 A 99 99 ALA CA C 99 49.893 48.983 0.910 1
1 1187 . 9 1 1 A 99 99 ALA HA H 99 4.415 4.705 -0.290 1
1 1188 . 9 1 1 A 99 99 ALA CB C 99 18.125 20.355 -2.230 1
1 1192 . 9 1 1 A 99 99 ALA C C 99 175.018 176.032 -1.014 1
1 1193 . 9 1 1 A 100 100 PRO CA C 100 62.082 62.606 -0.524 1
1 1194 . 9 1 1 A 100 100 PRO CB C 100 31.068 31.482 -0.414 1
1 1203 . 9 1 1 A 101 101 LEU H H 101 5.223 8.754 -3.531 1
1 1204 . 9 1 1 A 101 101 LEU CA C 101 55.181 53.208 1.973 1
1 1205 . 9 1 1 A 101 101 LEU HA H 101 3.758 4.890 -1.132 1
1 1206 . 9 1 1 A 101 101 LEU CB C 101 43.103 44.147 -1.044 1
1 1218 . 9 1 1 A 101 101 LEU C C 101 174.350 176.664 -2.314 1
1 1220 . 9 1 1 A 102 102 ARG N N 102 122.304 118.572 3.732 1
1 1221 . 9 1 1 A 102 102 ARG H H 102 6.412 8.544 -2.132 1
1 1222 . 9 1 1 A 102 102 ARG CA C 102 54.659 55.015 -0.356 1
1 1223 . 9 1 1 A 102 102 ARG HA H 102 4.500 4.988 -0.488 1
1 1224 . 9 1 1 A 102 102 ARG CB C 102 33.168 32.355 0.813 1
1 1230 . 9 1 1 A 102 102 ARG C C 102 173.625 174.407 -0.782 1
1 1234 . 9 1 1 A 103 103 LEU N N 103 119.849 122.363 -2.514 1
1 1235 . 9 1 1 A 103 103 LEU H H 103 8.301 8.763 -0.462 1
1 1236 . 9 1 1 A 103 103 LEU CA C 103 53.667 53.857 -0.190 1
1 1237 . 9 1 1 A 103 103 LEU HA H 103 4.886 5.058 -0.172 1
1 1238 . 9 1 1 A 103 103 LEU CB C 103 47.097 46.176 0.921 1
1 1250 . 9 1 1 A 103 103 LEU C C 103 173.874 174.312 -0.438 1
1 1252 . 9 1 1 A 104 104 LYS N N 104 126.165 128.665 -2.500 1
1 1253 . 9 1 1 A 104 104 LYS H H 104 8.516 8.768 -0.252 1
1 1254 . 9 1 1 A 104 104 LYS CA C 104 55.117 55.321 -0.204 1
1 1255 . 9 1 1 A 104 104 LYS HA H 104 4.773 4.820 -0.047 1
1 1256 . 9 1 1 A 104 104 LYS CB C 104 34.581 33.967 0.614 1
1 1264 . 9 1 1 A 104 104 LYS C C 104 174.980 175.059 -0.079 1
1 1269 . 9 1 1 A 105 105 LEU N N 105 125.172 129.695 -4.523 1
1 1270 . 9 1 1 A 105 105 LEU H H 105 8.586 8.997 -0.411 1
1 1271 . 9 1 1 A 105 105 LEU CA C 105 53.059 53.513 -0.454 1
1 1272 . 9 1 1 A 105 105 LEU HA H 105 4.923 4.990 -0.067 1
1 1273 . 9 1 1 A 105 105 LEU CB C 105 44.358 42.854 1.504 1
1 1285 . 9 1 1 A 105 105 LEU C C 105 174.037 175.323 -1.286 1
1 1287 . 9 1 1 A 106 106 ARG N N 106 119.880 125.917 -6.037 1
1 1288 . 9 1 1 A 106 106 ARG H H 106 8.363 9.147 -0.784 1
1 1289 . 9 1 1 A 106 106 ARG CA C 106 54.374 54.412 -0.038 1
1 1290 . 9 1 1 A 106 106 ARG HA H 106 4.926 4.808 0.118 1
1 1291 . 9 1 1 A 106 106 ARG CB C 106 32.783 33.285 -0.502 1
1 1297 . 9 1 1 A 106 106 ARG C C 106 174.611 174.520 0.091 1
1 1301 . 9 1 1 A 107 107 LEU N N 107 128.498 127.639 0.859 1
1 1302 . 9 1 1 A 107 107 LEU H H 107 9.260 8.637 0.623 1
1 1303 . 9 1 1 A 107 107 LEU CA C 107 52.942 53.393 -0.451 1
1 1304 . 9 1 1 A 107 107 LEU HA H 107 5.110 5.349 -0.239 1
1 1305 . 9 1 1 A 107 107 LEU CB C 107 45.279 44.758 0.521 1
1 1317 . 9 1 1 A 107 107 LEU C C 107 175.494 175.930 -0.436 1
1 1319 . 9 1 1 A 108 108 THR N N 108 114.947 116.243 -1.296 1
1 1320 . 9 1 1 A 108 108 THR H H 108 8.424 8.762 -0.338 1
1 1321 . 9 1 1 A 108 108 THR CA C 108 59.201 60.587 -1.386 1
1 1322 . 9 1 1 A 108 108 THR HA H 108 5.344 5.254 0.090 1
1 1323 . 9 1 1 A 108 108 THR CB C 108 71.413 71.127 0.286 1
1 1329 . 9 1 1 A 108 108 THR C C 108 172.424 173.260 -0.836 1
1 1330 . 9 1 1 A 109 109 TYR N N 109 114.691 120.297 -5.606 1
1 1331 . 9 1 1 A 109 109 TYR H H 109 8.056 8.473 -0.417 1
1 1332 . 9 1 1 A 109 109 TYR CA C 109 57.133 55.880 1.253 1
1 1333 . 9 1 1 A 109 109 TYR HA H 109 4.769 5.346 -0.577 1
1 1334 . 9 1 1 A 109 109 TYR CB C 109 38.008 40.623 -2.615 1
1 1344 . 9 1 1 A 109 109 TYR C C 109 171.790 172.079 -0.289 1
1 1346 . 9 1 1 A 110 110 ASP N N 110 119.179 120.467 -1.288 1
1 1347 . 9 1 1 A 110 110 ASP H H 110 9.332 9.071 0.261 1
1 1348 . 9 1 1 A 110 110 ASP CA C 110 53.147 53.034 0.113 1
1 1349 . 9 1 1 A 110 110 ASP HA H 110 5.855 5.858 -0.003 1
1 1350 . 9 1 1 A 110 110 ASP CB C 110 42.179 44.533 -2.354 1
1 1352 . 9 1 1 A 110 110 ASP C C 110 176.257 174.101 2.156 1
1 1354 . 9 1 1 A 111 111 HIS N N 111 122.092 126.161 -4.069 1
1 1355 . 9 1 1 A 111 111 HIS H H 111 8.993 9.600 -0.607 1
1 1356 . 9 1 1 A 111 111 HIS CA C 111 55.365 55.599 -0.234 1
1 1357 . 9 1 1 A 111 111 HIS HA H 111 4.768 4.923 -0.155 1
1 1358 . 9 1 1 A 111 111 HIS CB C 111 36.414 33.368 3.046 1
1 1364 . 9 1 1 A 111 111 HIS C C 111 175.420 174.457 0.963 1
1 1366 . 9 1 1 A 112 112 PHE N N 112 129.361 126.548 2.813 1
1 1367 . 9 1 1 A 112 112 PHE H H 112 10.128 9.488 0.640 1
1 1368 . 9 1 1 A 112 112 PHE CA C 112 59.353 58.724 0.629 1
1 1369 . 9 1 1 A 112 112 PHE HA H 112 3.972 3.859 0.113 1
1 1370 . 9 1 1 A 112 112 PHE CB C 112 36.136 36.690 -0.554 1
1 1382 . 9 1 1 A 112 112 PHE C C 112 175.288 174.954 0.334 1
1 1384 . 9 1 1 A 113 113 HIS N N 113 109.753 108.923 0.830 1
1 1385 . 9 1 1 A 113 113 HIS H H 113 8.856 8.399 0.457 1
1 1386 . 9 1 1 A 113 113 HIS CA C 113 57.593 56.771 0.822 1
1 1387 . 9 1 1 A 113 113 HIS HA H 113 4.168 4.179 -0.011 1
1 1388 . 9 1 1 A 113 113 HIS CB C 113 27.575 27.015 0.560 1
1 1394 . 9 1 1 A 113 113 HIS C C 113 174.146 173.832 0.314 1
1 1396 . 9 1 1 A 114 114 GLN N N 114 118.510 116.769 1.741 1
1 1397 . 9 1 1 A 114 114 GLN H H 114 7.930 7.731 0.199 1
1 1398 . 9 1 1 A 114 114 GLN CA C 114 54.303 54.460 -0.157 1
1 1399 . 9 1 1 A 114 114 GLN HA H 114 4.674 4.862 -0.188 1
1 1400 . 9 1 1 A 114 114 GLN CB C 114 31.548 32.424 -0.876 1
1 1407 . 9 1 1 A 114 114 GLN C C 114 174.702 174.892 -0.190 1
1 1410 . 9 1 1 A 115 115 SER N N 115 118.183 120.811 -2.628 1
1 1411 . 9 1 1 A 115 115 SER H H 115 8.528 8.742 -0.214 1
1 1412 . 9 1 1 A 115 115 SER CA C 115 57.665 58.259 -0.594 1
1 1413 . 9 1 1 A 115 115 SER HA H 115 5.112 4.627 0.485 1
1 1414 . 9 1 1 A 115 115 SER CB C 115 63.266 62.869 0.397 1
1 1416 . 9 1 1 A 115 115 SER C C 115 174.157 173.737 0.420 1
1 1418 . 9 1 1 A 116 116 VAL N N 116 130.788 127.076 3.712 1
1 1419 . 9 1 1 A 116 116 VAL H H 116 9.445 8.535 0.910 1
1 1420 . 9 1 1 A 116 116 VAL CA C 116 62.375 62.168 0.207 1
1 1421 . 9 1 1 A 116 116 VAL HA H 116 3.870 4.258 -0.388 1
1 1422 . 9 1 1 A 116 116 VAL CB C 116 32.564 30.958 1.606 1
1 1432 . 9 1 1 A 116 116 VAL C C 116 175.674 174.404 1.270 1
1 1433 . 9 1 1 A 117 117 GLN N N 117 127.278 129.148 -1.870 1
1 1434 . 9 1 1 A 117 117 GLN H H 117 8.612 8.890 -0.278 1
1 1435 . 9 1 1 A 117 117 GLN CA C 117 55.004 54.236 0.768 1
1 1436 . 9 1 1 A 117 117 GLN HA H 117 5.170 5.274 -0.104 1
1 1437 . 9 1 1 A 117 117 GLN CB C 117 31.166 31.809 -0.643 1
1 1444 . 9 1 1 A 117 117 GLN C C 117 174.229 174.219 0.010 1
1 1447 . 9 1 1 A 118 118 GLU N N 118 125.633 124.764 0.869 1
1 1448 . 9 1 1 A 118 118 GLU H H 118 8.960 8.675 0.285 1
1 1449 . 9 1 1 A 118 118 GLU CA C 118 54.799 54.912 -0.113 1
1 1450 . 9 1 1 A 118 118 GLU HA H 118 4.869 5.085 -0.216 1
1 1451 . 9 1 1 A 118 118 GLU CB C 118 33.675 32.735 0.940 1
1 1455 . 9 1 1 A 118 118 GLU C C 118 174.340 175.188 -0.848 1
1 1458 . 9 1 1 A 119 119 ILE N N 119 123.525 124.638 -1.113 1
1 1459 . 9 1 1 A 119 119 ILE H H 119 8.683 9.035 -0.352 1
1 1460 . 9 1 1 A 119 119 ILE CA C 119 60.005 60.152 -0.147 1
1 1461 . 9 1 1 A 119 119 ILE HA H 119 5.157 4.601 0.556 1
1 1462 . 9 1 1 A 119 119 ILE CB C 119 40.761 39.540 1.221 1
1 1474 . 9 1 1 A 119 119 ILE C C 119 175.386 175.147 0.239 1
1 1476 . 9 1 1 A 120 120 PHE N N 120 122.954 123.772 -0.818 1
1 1477 . 9 1 1 A 120 120 PHE H H 120 8.647 8.215 0.432 1
1 1478 . 9 1 1 A 120 120 PHE CA C 120 55.754 55.007 0.747 1
1 1479 . 9 1 1 A 120 120 PHE HA H 120 5.064 5.621 -0.557 1
1 1480 . 9 1 1 A 120 120 PHE CB C 120 39.904 42.587 -2.683 1
1 1492 . 9 1 1 A 120 120 PHE C C 120 172.536 172.808 -0.272 1
1 1494 . 9 1 1 A 121 121 GLU N N 121 120.205 119.499 0.706 1
1 1495 . 9 1 1 A 121 121 GLU H H 121 8.807 8.886 -0.079 1
1 1496 . 9 1 1 A 121 121 GLU CA C 121 54.976 55.286 -0.310 1
1 1497 . 9 1 1 A 121 121 GLU HA H 121 4.795 4.949 -0.154 1
1 1498 . 9 1 1 A 121 121 GLU CB C 121 31.537 32.682 -1.145 1
1 1502 . 9 1 1 A 121 121 GLU C C 121 175.979 175.853 0.126 1
1 1505 . 9 1 1 A 122 122 VAL N N 122 124.567 124.938 -0.371 1
1 1506 . 9 1 1 A 122 122 VAL H H 122 8.818 8.835 -0.017 1
1 1507 . 9 1 1 A 122 122 VAL CA C 122 62.536 63.364 -0.828 1
1 1508 . 9 1 1 A 122 122 VAL HA H 122 4.300 4.168 0.132 1
1 1509 . 9 1 1 A 122 122 VAL CB C 122 32.136 30.742 1.394 1
1 1519 . 9 1 1 A 122 122 VAL C C 122 175.324 176.658 -1.334 1
1 1520 . 9 1 1 A 123 123 ASN N N 123 125.013 124.336 0.677 1
1 1521 . 9 1 1 A 123 123 ASN H H 123 8.770 8.341 0.429 1
1 1522 . 9 1 1 A 123 123 ASN CA C 123 52.889 53.440 -0.551 1
1 1523 . 9 1 1 A 123 123 ASN HA H 123 5.072 4.862 0.210 1
1 1524 . 9 1 1 A 123 123 ASN CB C 123 40.114 39.146 0.968 1
1 1529 . 9 1 1 A 123 123 ASN C C 123 174.799 175.693 -0.894 1
1 1531 . 9 1 1 A 124 124 ASN N N 124 117.247 117.057 0.190 1
1 1532 . 9 1 1 A 124 124 ASN H H 124 8.599 7.975 0.624 1
1 1533 . 9 1 1 A 124 124 ASN CA C 124 52.853 52.135 0.718 1
1 1534 . 9 1 1 A 124 124 ASN HA H 124 4.721 4.920 -0.199 1
1 1535 . 9 1 1 A 124 124 ASN CB C 124 36.882 38.146 -1.264 1
1 1540 . 9 1 1 A 124 124 ASN C C 124 174.437 175.264 -0.827 1
1 1542 . 9 1 1 A 125 125 LEU N N 125 119.273 121.602 -2.329 1
1 1543 . 9 1 1 A 125 125 LEU H H 125 8.105 7.340 0.765 1
1 1544 . 9 1 1 A 125 125 LEU CA C 125 53.787 53.562 0.225 1
1 1545 . 9 1 1 A 125 125 LEU HA H 125 4.187 4.490 -0.303 1
1 1546 . 9 1 1 A 125 125 LEU CB C 125 40.398 40.933 -0.535 1
1 1558 . 9 1 1 A 125 125 LEU C C 125 175.528 174.639 0.889 1
1 1560 . 9 1 1 A 126 126 PRO CA C 126 62.439 62.457 -0.018 1
1 1561 . 9 1 1 A 126 126 PRO HA H 126 4.519 4.483 0.036 1
1 1562 . 9 1 1 A 126 126 PRO CB C 126 31.210 32.328 -1.118 1
1 1568 . 9 1 1 A 126 126 PRO C C 126 179.073 176.753 2.320 1
1 1572 . 9 1 1 A 127 127 VAL N N 127 124.759 122.602 2.157 1
1 1573 . 9 1 1 A 127 127 VAL H H 127 8.794 8.769 0.025 1
1 1574 . 9 1 1 A 127 127 VAL CA C 127 64.360 64.452 -0.092 1
1 1575 . 9 1 1 A 127 127 VAL HA H 127 3.216 4.104 -0.888 1
1 1576 . 9 1 1 A 127 127 VAL CB C 127 30.825 32.373 -1.548 1
1 1586 . 9 1 1 A 127 127 VAL C C 127 176.789 177.268 -0.479 1
1 1587 . 9 1 1 A 128 128 GLU N N 128 119.892 122.583 -2.691 1
1 1588 . 9 1 1 A 128 128 GLU H H 128 9.460 8.137 1.323 1
1 1589 . 9 1 1 A 128 128 GLU CA C 128 59.216 59.362 -0.146 1
1 1590 . 9 1 1 A 128 128 GLU HA H 128 3.831 3.633 0.198 1
1 1591 . 9 1 1 A 128 128 GLU CB C 128 29.188 29.091 0.097 1
1 1595 . 9 1 1 A 128 128 GLU C C 128 177.624 178.735 -1.111 1
1 1598 . 9 1 1 A 129 129 SER N N 129 112.727 113.390 -0.663 1
1 1599 . 9 1 1 A 129 129 SER H H 129 8.057 8.097 -0.040 1
1 1600 . 9 1 1 A 129 129 SER CA C 129 61.024 61.369 -0.345 1
1 1601 . 9 1 1 A 129 129 SER HA H 129 3.925 4.144 -0.219 1
1 1602 . 9 1 1 A 129 129 SER CB C 129 64.440 62.029 2.411 1
1 1604 . 9 1 1 A 129 129 SER C C 129 173.147 176.476 -3.329 1
1 1606 . 9 1 1 A 130 130 TRP N N 130 117.092 119.693 -2.601 1
1 1607 . 9 1 1 A 130 130 TRP H H 130 7.184 7.992 -0.808 1
1 1608 . 9 1 1 A 130 130 TRP CA C 130 57.027 58.698 -1.671 1
1 1609 . 9 1 1 A 130 130 TRP HA H 130 4.974 4.505 0.469 1
1 1610 . 9 1 1 A 130 130 TRP CB C 130 31.384 29.158 2.226 1
1 1624 . 9 1 1 A 130 130 TRP C C 130 174.759 177.883 -3.124 1
1 1 . 10 1 1 A 6 6 SER CA C 6 58.371 59.776 -1.405 1
1 2 . 10 1 1 A 6 6 SER HA H 6 4.533 4.243 0.290 1
1 3 . 10 1 1 A 6 6 SER CB C 6 63.994 63.021 0.973 1
1 5 . 10 1 1 A 6 6 SER C C 6 174.472 173.924 0.548 1
1 7 . 10 1 1 A 7 7 GLY N N 7 110.741 113.457 -2.716 1
1 8 . 10 1 1 A 7 7 GLY H H 7 8.209 8.265 -0.056 1
1 9 . 10 1 1 A 7 7 GLY CA C 7 44.501 45.432 -0.931 1
1 10 . 10 1 1 A 7 7 GLY HA3 H 7 4.059 4.205 -0.146 1
1 11 . 10 1 1 A 7 7 GLY C C 7 171.084 171.273 -0.189 1
1 12 . 10 1 1 A 7 7 GLY HA2 H 7 4.155 4.204 -0.049 1
1 13 . 10 1 1 A 8 8 PRO CA C 8 61.515 62.208 -0.693 1
1 14 . 10 1 1 A 8 8 PRO HA H 8 4.713 4.628 0.085 1
1 15 . 10 1 1 A 8 8 PRO CB C 8 30.760 31.799 -1.039 1
1 24 . 10 1 1 A 9 9 PRO HA H 9 4.724 4.636 0.088 1
1 30 . 10 1 1 A 10 10 PRO CA C 10 62.761 62.449 0.312 1
1 31 . 10 1 1 A 10 10 PRO HA H 10 4.389 4.639 -0.250 1
1 32 . 10 1 1 A 10 10 PRO CB C 10 32.082 33.107 -1.025 1
1 37 . 10 1 1 A 10 10 PRO C C 10 176.236 175.333 0.903 1
1 41 . 10 1 1 A 11 11 ALA N N 11 125.926 122.153 3.773 1
1 42 . 10 1 1 A 11 11 ALA H H 11 8.352 8.200 0.152 1
1 43 . 10 1 1 A 11 11 ALA CA C 11 50.343 49.206 1.137 1
1 44 . 10 1 1 A 11 11 ALA HA H 11 4.583 4.791 -0.208 1
1 45 . 10 1 1 A 11 11 ALA CB C 11 18.255 20.146 -1.891 1
1 49 . 10 1 1 A 11 11 ALA C C 11 175.479 175.205 0.274 1
1 50 . 10 1 1 A 12 12 PRO CA C 12 62.757 62.194 0.563 1
1 51 . 10 1 1 A 12 12 PRO HA H 12 4.386 4.607 -0.221 1
1 52 . 10 1 1 A 12 12 PRO CB C 12 32.104 33.254 -1.150 1
1 57 . 10 1 1 A 12 12 PRO C C 12 176.478 175.298 1.180 1
1 61 . 10 1 1 A 13 13 ILE N N 13 124.607 121.132 3.475 1
1 62 . 10 1 1 A 13 13 ILE H H 13 8.661 8.347 0.314 1
1 63 . 10 1 1 A 13 13 ILE CA C 13 59.081 58.076 1.005 1
1 64 . 10 1 1 A 13 13 ILE HA H 13 4.288 4.426 -0.138 1
1 65 . 10 1 1 A 13 13 ILE CB C 13 39.710 38.936 0.774 1
1 77 . 10 1 1 A 13 13 ILE C C 13 174.727 174.540 0.187 1
1 79 . 10 1 1 A 14 14 PRO CA C 14 63.433 62.380 1.053 1
1 80 . 10 1 1 A 14 14 PRO HA H 14 4.457 4.535 -0.078 1
1 81 . 10 1 1 A 14 14 PRO CB C 14 32.428 32.321 0.107 1
1 86 . 10 1 1 A 14 14 PRO C C 14 175.380 176.465 -1.085 1
1 90 . 10 1 1 A 15 15 ASP N N 15 118.741 122.016 -3.275 1
1 91 . 10 1 1 A 15 15 ASP H H 15 8.042 8.373 -0.331 1
1 92 . 10 1 1 A 15 15 ASP CA C 15 54.213 55.215 -1.002 1
1 93 . 10 1 1 A 15 15 ASP HA H 15 5.064 4.626 0.438 1
1 94 . 10 1 1 A 15 15 ASP CB C 15 41.793 41.465 0.328 1
1 96 . 10 1 1 A 15 15 ASP C C 15 176.413 176.010 0.403 1
1 98 . 10 1 1 A 16 16 LEU N N 16 121.451 123.021 -1.570 1
1 99 . 10 1 1 A 16 16 LEU H H 16 9.016 8.235 0.781 1
1 100 . 10 1 1 A 16 16 LEU CA C 16 53.914 54.231 -0.317 1
1 101 . 10 1 1 A 16 16 LEU HA H 16 4.847 4.935 -0.088 1
1 102 . 10 1 1 A 16 16 LEU CB C 16 48.283 45.634 2.649 1
1 114 . 10 1 1 A 16 16 LEU C C 16 174.915 174.475 0.440 1
1 116 . 10 1 1 A 17 17 LYS N N 17 130.346 127.872 2.474 1
1 117 . 10 1 1 A 17 17 LYS H H 17 8.937 8.912 0.025 1
1 118 . 10 1 1 A 17 17 LYS CA C 17 57.027 56.982 0.045 1
1 119 . 10 1 1 A 17 17 LYS HA H 17 4.821 4.402 0.419 1
1 120 . 10 1 1 A 17 17 LYS CB C 17 31.991 33.097 -1.106 1
1 128 . 10 1 1 A 17 17 LYS C C 17 177.744 176.470 1.274 1
1 133 . 10 1 1 A 18 18 VAL N N 18 116.605 121.549 -4.944 1
1 134 . 10 1 1 A 18 18 VAL H H 18 8.228 8.453 -0.225 1
1 135 . 10 1 1 A 18 18 VAL CA C 18 60.586 61.974 -1.388 1
1 136 . 10 1 1 A 18 18 VAL HA H 18 4.807 4.475 0.332 1
1 137 . 10 1 1 A 18 18 VAL CB C 18 33.601 34.034 -0.433 1
1 147 . 10 1 1 A 18 18 VAL C C 18 174.118 175.552 -1.434 1
1 148 . 10 1 1 A 19 19 PHE N N 19 120.586 121.930 -1.344 1
1 149 . 10 1 1 A 19 19 PHE H H 19 7.429 7.152 0.277 1
1 150 . 10 1 1 A 19 19 PHE CA C 19 57.947 57.358 0.589 1
1 151 . 10 1 1 A 19 19 PHE HA H 19 4.544 4.489 0.055 1
1 152 . 10 1 1 A 19 19 PHE CB C 19 43.455 42.379 1.076 1
1 162 . 10 1 1 A 19 19 PHE C C 19 172.947 173.010 -0.063 1
1 164 . 10 1 1 A 20 20 GLU N N 20 126.790 126.551 0.239 1
1 165 . 10 1 1 A 20 20 GLU H H 20 7.620 8.068 -0.448 1
1 166 . 10 1 1 A 20 20 GLU CA C 20 55.117 55.039 0.078 1
1 167 . 10 1 1 A 20 20 GLU HA H 20 5.059 4.822 0.237 1
1 168 . 10 1 1 A 20 20 GLU CB C 20 32.091 32.862 -0.771 1
1 172 . 10 1 1 A 20 20 GLU C C 20 174.073 173.776 0.297 1
1 175 . 10 1 1 A 21 21 ARG N N 21 125.153 128.322 -3.169 1
1 176 . 10 1 1 A 21 21 ARG H H 21 8.806 9.267 -0.461 1
1 177 . 10 1 1 A 21 21 ARG CA C 21 56.532 53.778 2.754 1
1 178 . 10 1 1 A 21 21 ARG HA H 21 4.234 4.720 -0.486 1
1 179 . 10 1 1 A 21 21 ARG CB C 21 33.707 33.876 -0.169 1
1 185 . 10 1 1 A 21 21 ARG C C 21 176.293 177.453 -1.160 1
1 189 . 10 1 1 A 22 22 GLU N N 22 132.286 123.920 8.366 1
1 190 . 10 1 1 A 22 22 GLU H H 22 9.887 9.108 0.779 1
1 191 . 10 1 1 A 22 22 GLU CA C 22 57.271 58.505 -1.234 1
1 192 . 10 1 1 A 22 22 GLU HA H 22 3.968 4.138 -0.170 1
1 193 . 10 1 1 A 22 22 GLU CB C 22 28.595 28.993 -0.398 1
1 197 . 10 1 1 A 22 22 GLU C C 22 175.219 176.891 -1.672 1
1 200 . 10 1 1 A 23 23 GLY N N 23 103.445 107.997 -4.552 1
1 201 . 10 1 1 A 23 23 GLY H H 23 8.570 8.030 0.540 1
1 202 . 10 1 1 A 23 23 GLY CA C 23 45.698 46.149 -0.451 1
1 203 . 10 1 1 A 23 23 GLY HA3 H 23 4.242 4.259 -0.017 1
1 204 . 10 1 1 A 23 23 GLY C C 23 173.517 174.154 -0.637 1
1 205 . 10 1 1 A 23 23 GLY HA2 H 23 3.658 4.203 -0.545 1
1 206 . 10 1 1 A 24 24 VAL N N 24 124.489 119.369 5.120 1
1 207 . 10 1 1 A 24 24 VAL H H 24 8.016 7.617 0.399 1
1 208 . 10 1 1 A 24 24 VAL CA C 24 61.341 62.197 -0.856 1
1 209 . 10 1 1 A 24 24 VAL HA H 24 4.780 4.325 0.455 1
1 210 . 10 1 1 A 24 24 VAL CB C 24 32.051 32.815 -0.764 1
1 220 . 10 1 1 A 24 24 VAL C C 24 175.459 175.016 0.443 1
1 221 . 10 1 1 A 25 25 GLN N N 25 123.296 124.721 -1.425 1
1 222 . 10 1 1 A 25 25 GLN H H 25 8.446 8.737 -0.291 1
1 223 . 10 1 1 A 25 25 GLN CA C 25 53.879 54.514 -0.635 1
1 224 . 10 1 1 A 25 25 GLN HA H 25 5.378 5.208 0.170 1
1 225 . 10 1 1 A 25 25 GLN CB C 25 33.065 32.053 1.012 1
1 232 . 10 1 1 A 25 25 GLN C C 25 174.348 174.040 0.308 1
1 235 . 10 1 1 A 26 26 LEU N N 26 120.847 126.848 -6.001 1
1 236 . 10 1 1 A 26 26 LEU H H 26 8.579 9.145 -0.566 1
1 237 . 10 1 1 A 26 26 LEU CA C 26 53.914 53.580 0.334 1
1 238 . 10 1 1 A 26 26 LEU HA H 26 5.400 5.583 -0.183 1
1 239 . 10 1 1 A 26 26 LEU CB C 26 47.336 45.445 1.891 1
1 251 . 10 1 1 A 26 26 LEU C C 26 174.842 174.716 0.126 1
1 253 . 10 1 1 A 27 27 ASN N N 27 124.346 124.182 0.164 1
1 254 . 10 1 1 A 27 27 ASN H H 27 8.738 9.056 -0.318 1
1 255 . 10 1 1 A 27 27 ASN CA C 27 52.063 51.883 0.180 1
1 256 . 10 1 1 A 27 27 ASN HA H 27 5.542 5.394 0.148 1
1 257 . 10 1 1 A 27 27 ASN CB C 27 43.866 42.181 1.685 1
1 262 . 10 1 1 A 27 27 ASN C C 27 173.520 173.823 -0.303 1
1 264 . 10 1 1 A 28 28 LEU N N 28 124.198 124.309 -0.111 1
1 265 . 10 1 1 A 28 28 LEU H H 28 9.406 8.609 0.797 1
1 266 . 10 1 1 A 28 28 LEU CA C 28 53.773 53.385 0.388 1
1 267 . 10 1 1 A 28 28 LEU HA H 28 4.995 5.153 -0.158 1
1 268 . 10 1 1 A 28 28 LEU CB C 28 44.307 45.765 -1.458 1
1 280 . 10 1 1 A 28 28 LEU C C 28 174.670 174.128 0.542 1
1 282 . 10 1 1 A 29 29 SER N N 29 115.017 121.043 -6.026 1
1 283 . 10 1 1 A 29 29 SER H H 29 8.314 8.857 -0.543 1
1 284 . 10 1 1 A 29 29 SER CA C 29 56.340 56.332 0.008 1
1 285 . 10 1 1 A 29 29 SER HA H 29 4.807 5.186 -0.379 1
1 286 . 10 1 1 A 29 29 SER CB C 29 65.926 64.897 1.029 1
1 288 . 10 1 1 A 29 29 SER C C 29 172.842 172.382 0.460 1
1 290 . 10 1 1 A 30 30 PHE N N 30 119.941 125.635 -5.694 1
1 291 . 10 1 1 A 30 30 PHE H H 30 9.366 9.215 0.151 1
1 292 . 10 1 1 A 30 30 PHE CA C 30 57.047 56.578 0.469 1
1 293 . 10 1 1 A 30 30 PHE HA H 30 5.374 5.224 0.150 1
1 294 . 10 1 1 A 30 30 PHE CB C 30 44.307 41.642 2.665 1
1 306 . 10 1 1 A 30 30 PHE C C 30 175.242 175.101 0.141 1
1 308 . 10 1 1 A 31 31 ILE N N 31 122.161 122.493 -0.332 1
1 309 . 10 1 1 A 31 31 ILE H H 31 8.950 8.972 -0.022 1
1 310 . 10 1 1 A 31 31 ILE CA C 31 60.680 60.518 0.162 1
1 311 . 10 1 1 A 31 31 ILE HA H 31 4.338 4.856 -0.518 1
1 312 . 10 1 1 A 31 31 ILE CB C 31 42.354 41.101 1.253 1
1 324 . 10 1 1 A 31 31 ILE C C 31 174.368 175.382 -1.014 1
1 326 . 10 1 1 A 32 32 ARG N N 32 128.976 127.584 1.392 1
1 327 . 10 1 1 A 32 32 ARG H H 32 8.773 8.900 -0.127 1
1 328 . 10 1 1 A 32 32 ARG CA C 32 51.444 52.413 -0.969 1
1 329 . 10 1 1 A 32 32 ARG HA H 32 5.263 4.863 0.400 1
1 330 . 10 1 1 A 32 32 ARG CB C 32 29.600 31.276 -1.676 1
1 338 . 10 1 1 A 32 32 ARG C C 32 173.585 173.876 -0.291 1
1 342 . 10 1 1 A 33 33 PRO CA C 33 60.759 61.855 -1.096 1
1 343 . 10 1 1 A 33 33 PRO HA H 33 4.581 4.708 -0.127 1
1 344 . 10 1 1 A 33 33 PRO CB C 33 32.219 32.480 -0.261 1
1 353 . 10 1 1 A 34 34 PRO CA C 34 64.464 65.251 -0.787 1
1 354 . 10 1 1 A 34 34 PRO HA H 34 4.236 4.224 0.012 1
1 355 . 10 1 1 A 34 34 PRO CB C 34 31.997 32.052 -0.055 1
1 361 . 10 1 1 A 34 34 PRO C C 34 178.240 178.555 -0.315 1
1 365 . 10 1 1 A 35 35 GLU N N 35 115.025 116.169 -1.144 1
1 366 . 10 1 1 A 35 35 GLU H H 35 9.287 8.864 0.423 1
1 367 . 10 1 1 A 35 35 GLU CA C 35 57.753 58.879 -1.126 1
1 368 . 10 1 1 A 35 35 GLU HA H 35 4.205 4.121 0.084 1
1 369 . 10 1 1 A 35 35 GLU CB C 35 28.595 28.910 -0.315 1
1 373 . 10 1 1 A 35 35 GLU C C 35 176.471 176.942 -0.471 1
1 376 . 10 1 1 A 36 36 ASN N N 36 114.302 117.994 -3.692 1
1 377 . 10 1 1 A 36 36 ASN H H 36 7.257 7.850 -0.593 1
1 378 . 10 1 1 A 36 36 ASN CA C 36 50.593 50.175 0.418 1
1 379 . 10 1 1 A 36 36 ASN HA H 36 5.024 5.194 -0.170 1
1 380 . 10 1 1 A 36 36 ASN CB C 36 39.094 39.145 -0.051 1
1 385 . 10 1 1 A 36 36 ASN C C 36 172.128 173.553 -1.425 1
1 387 . 10 1 1 A 37 37 PRO CA C 37 64.287 64.483 -0.196 1
1 388 . 10 1 1 A 37 37 PRO HA H 37 4.600 4.378 0.222 1
1 389 . 10 1 1 A 37 37 PRO CB C 37 32.235 31.927 0.308 1
1 394 . 10 1 1 A 37 37 PRO C C 37 176.707 177.731 -1.024 1
1 398 . 10 1 1 A 38 38 ALA N N 38 117.780 117.756 0.024 1
1 399 . 10 1 1 A 38 38 ALA H H 38 7.596 7.976 -0.380 1
1 400 . 10 1 1 A 38 38 ALA CA C 38 52.674 53.078 -0.404 1
1 401 . 10 1 1 A 38 38 ALA HA H 38 4.262 4.377 -0.115 1
1 402 . 10 1 1 A 38 38 ALA CB C 38 19.201 19.449 -0.248 1
1 406 . 10 1 1 A 38 38 ALA C C 38 176.546 177.059 -0.513 1
1 407 . 10 1 1 A 39 39 LEU N N 39 122.870 121.053 1.817 1
1 408 . 10 1 1 A 39 39 LEU H H 39 7.963 7.187 0.776 1
1 409 . 10 1 1 A 39 39 LEU CA C 39 54.548 53.861 0.687 1
1 410 . 10 1 1 A 39 39 LEU HA H 39 4.953 4.879 0.074 1
1 411 . 10 1 1 A 39 39 LEU CB C 39 44.768 44.142 0.626 1
1 423 . 10 1 1 A 39 39 LEU C C 39 173.627 175.359 -1.732 1
1 425 . 10 1 1 A 40 40 LEU N N 40 125.985 129.582 -3.597 1
1 426 . 10 1 1 A 40 40 LEU H H 40 9.247 9.211 0.036 1
1 427 . 10 1 1 A 40 40 LEU CA C 40 53.914 53.581 0.333 1
1 428 . 10 1 1 A 40 40 LEU HA H 40 5.018 5.130 -0.112 1
1 429 . 10 1 1 A 40 40 LEU CB C 40 45.014 44.650 0.364 1
1 441 . 10 1 1 A 40 40 LEU C C 40 174.170 174.897 -0.727 1
1 443 . 10 1 1 A 41 41 LEU N N 41 125.906 129.206 -3.300 1
1 444 . 10 1 1 A 41 41 LEU H H 41 9.224 9.409 -0.185 1
1 445 . 10 1 1 A 41 41 LEU CA C 41 53.190 53.985 -0.795 1
1 446 . 10 1 1 A 41 41 LEU HA H 41 5.222 4.950 0.272 1
1 447 . 10 1 1 A 41 41 LEU CB C 41 42.034 41.819 0.215 1
1 459 . 10 1 1 A 41 41 LEU C C 41 177.109 176.062 1.047 1
1 461 . 10 1 1 A 42 42 ILE N N 42 124.731 125.695 -0.964 1
1 462 . 10 1 1 A 42 42 ILE H H 42 9.087 8.785 0.302 1
1 463 . 10 1 1 A 42 42 ILE CA C 42 59.794 59.981 -0.187 1
1 464 . 10 1 1 A 42 42 ILE HA H 42 5.055 5.123 -0.068 1
1 465 . 10 1 1 A 42 42 ILE CB C 42 41.019 40.260 0.759 1
1 477 . 10 1 1 A 42 42 ILE C C 42 175.074 174.864 0.210 1
1 479 . 10 1 1 A 43 43 THR N N 43 123.315 119.200 4.115 1
1 480 . 10 1 1 A 43 43 THR H H 43 8.589 8.639 -0.050 1
1 481 . 10 1 1 A 43 43 THR CA C 43 61.677 61.678 -0.001 1
1 482 . 10 1 1 A 43 43 THR HA H 43 5.023 5.248 -0.225 1
1 483 . 10 1 1 A 43 43 THR CB C 43 69.838 72.570 -2.732 1
1 489 . 10 1 1 A 43 43 THR C C 43 174.993 173.165 1.828 1
1 490 . 10 1 1 A 44 44 ILE N N 44 126.677 126.140 0.537 1
1 491 . 10 1 1 A 44 44 ILE H H 44 9.329 9.043 0.286 1
1 492 . 10 1 1 A 44 44 ILE CA C 44 59.794 59.914 -0.120 1
1 493 . 10 1 1 A 44 44 ILE HA H 44 4.953 5.072 -0.119 1
1 494 . 10 1 1 A 44 44 ILE CB C 44 38.754 40.683 -1.929 1
1 506 . 10 1 1 A 44 44 ILE C C 44 174.670 175.615 -0.945 1
1 508 . 10 1 1 A 45 45 THR N N 45 120.442 122.060 -1.618 1
1 509 . 10 1 1 A 45 45 THR H H 45 8.740 8.592 0.148 1
1 510 . 10 1 1 A 45 45 THR CA C 45 61.579 61.565 0.014 1
1 511 . 10 1 1 A 45 45 THR HA H 45 5.266 5.078 0.188 1
1 512 . 10 1 1 A 45 45 THR CB C 45 70.338 70.859 -0.521 1
1 518 . 10 1 1 A 45 45 THR C C 45 174.494 173.116 1.378 1
1 519 . 10 1 1 A 46 46 ALA N N 46 134.267 130.325 3.942 1
1 520 . 10 1 1 A 46 46 ALA H H 46 9.489 8.470 1.019 1
1 521 . 10 1 1 A 46 46 ALA CA C 46 49.846 50.520 -0.674 1
1 522 . 10 1 1 A 46 46 ALA HA H 46 5.554 4.893 0.661 1
1 523 . 10 1 1 A 46 46 ALA CB C 46 20.414 20.268 0.146 1
1 527 . 10 1 1 A 46 46 ALA C C 46 174.819 176.821 -2.002 1
1 528 . 10 1 1 A 47 47 THR N N 47 111.611 115.475 -3.864 1
1 529 . 10 1 1 A 47 47 THR H H 47 8.431 8.679 -0.248 1
1 530 . 10 1 1 A 47 47 THR CA C 47 59.331 59.910 -0.579 1
1 531 . 10 1 1 A 47 47 THR HA H 47 4.409 5.183 -0.774 1
1 532 . 10 1 1 A 47 47 THR CB C 47 71.655 70.640 1.015 1
1 538 . 10 1 1 A 47 47 THR C C 47 173.104 173.103 0.001 1
1 539 . 10 1 1 A 48 48 ASN N N 48 117.087 121.831 -4.744 1
1 540 . 10 1 1 A 48 48 ASN H H 48 8.647 8.585 0.062 1
1 541 . 10 1 1 A 48 48 ASN CA C 48 51.019 51.779 -0.760 1
1 542 . 10 1 1 A 48 48 ASN HA H 48 5.096 5.294 -0.198 1
1 543 . 10 1 1 A 48 48 ASN CB C 48 39.880 41.752 -1.872 1
1 548 . 10 1 1 A 48 48 ASN C C 48 173.769 174.492 -0.723 1
1 550 . 10 1 1 A 49 49 PHE N N 49 123.238 123.530 -0.292 1
1 551 . 10 1 1 A 49 49 PHE H H 49 9.105 8.770 0.335 1
1 552 . 10 1 1 A 49 49 PHE CA C 49 57.422 58.299 -0.877 1
1 553 . 10 1 1 A 49 49 PHE HA H 49 4.601 4.690 -0.089 1
1 554 . 10 1 1 A 49 49 PHE CB C 49 38.770 40.832 -2.062 1
1 566 . 10 1 1 A 49 49 PHE C C 49 176.238 175.464 0.774 1
1 568 . 10 1 1 A 50 50 SER N N 50 118.477 114.268 4.209 1
1 569 . 10 1 1 A 50 50 SER H H 50 8.344 7.471 0.873 1
1 570 . 10 1 1 A 50 50 SER CA C 50 58.654 58.182 0.472 1
1 571 . 10 1 1 A 50 50 SER HA H 50 4.933 4.504 0.429 1
1 572 . 10 1 1 A 50 50 SER CB C 50 66.611 65.100 1.511 1
1 573 . 10 1 1 A 50 50 SER C C 50 173.089 175.703 -2.614 1
1 574 . 10 1 1 A 51 51 GLU N N 51 114.036 118.848 -4.812 1
1 575 . 10 1 1 A 51 51 GLU H H 51 9.051 9.091 -0.040 1
1 576 . 10 1 1 A 51 51 GLU CA C 51 56.701 57.808 -1.107 1
1 577 . 10 1 1 A 51 51 GLU HA H 51 4.358 4.220 0.138 1
1 578 . 10 1 1 A 51 51 GLU CB C 51 30.323 29.643 0.680 1
1 582 . 10 1 1 A 51 51 GLU C C 51 175.603 176.703 -1.100 1
1 585 . 10 1 1 A 52 52 GLY N N 52 109.625 108.344 1.281 1
1 586 . 10 1 1 A 52 52 GLY H H 52 8.525 7.396 1.129 1
1 587 . 10 1 1 A 52 52 GLY CA C 52 44.267 44.345 -0.078 1
1 588 . 10 1 1 A 52 52 GLY HA3 H 52 4.505 3.682 0.823 1
1 589 . 10 1 1 A 52 52 GLY C C 52 173.168 172.357 0.811 1
1 590 . 10 1 1 A 52 52 GLY HA2 H 52 2.842 2.951 -0.109 1
1 591 . 10 1 1 A 53 53 ASP N N 53 125.175 122.963 2.212 1
1 592 . 10 1 1 A 53 53 ASP H H 53 9.001 8.536 0.465 1
1 593 . 10 1 1 A 53 53 ASP CA C 53 55.793 54.243 1.550 1
1 594 . 10 1 1 A 53 53 ASP HA H 53 4.082 4.996 -0.914 1
1 595 . 10 1 1 A 53 53 ASP CB C 53 40.522 42.364 -1.842 1
1 597 . 10 1 1 A 53 53 ASP C C 53 176.506 175.552 0.954 1
1 599 . 10 1 1 A 54 54 VAL N N 54 125.250 120.728 4.522 1
1 600 . 10 1 1 A 54 54 VAL H H 54 7.873 7.999 -0.126 1
1 601 . 10 1 1 A 54 54 VAL CA C 54 61.350 60.885 0.465 1
1 602 . 10 1 1 A 54 54 VAL HA H 54 4.759 4.957 -0.198 1
1 603 . 10 1 1 A 54 54 VAL CB C 54 32.808 34.780 -1.972 1
1 613 . 10 1 1 A 54 54 VAL C C 54 176.126 174.504 1.622 1
1 614 . 10 1 1 A 55 55 THR N N 55 116.888 116.543 0.345 1
1 615 . 10 1 1 A 55 55 THR H H 55 9.004 8.595 0.409 1
1 616 . 10 1 1 A 55 55 THR CA C 55 59.194 59.532 -0.338 1
1 617 . 10 1 1 A 55 55 THR HA H 55 4.920 4.779 0.141 1
1 618 . 10 1 1 A 55 55 THR CB C 55 72.508 72.255 0.253 1
1 624 . 10 1 1 A 55 55 THR C C 55 173.166 173.856 -0.690 1
1 625 . 10 1 1 A 56 56 HIS N N 56 115.667 119.732 -4.065 1
1 626 . 10 1 1 A 56 56 HIS H H 56 9.193 8.890 0.303 1
1 627 . 10 1 1 A 56 56 HIS CA C 56 56.363 56.624 -0.261 1
1 628 . 10 1 1 A 56 56 HIS HA H 56 4.153 4.226 -0.073 1
1 629 . 10 1 1 A 56 56 HIS CB C 56 26.923 27.975 -1.052 1
1 635 . 10 1 1 A 56 56 HIS C C 56 173.611 175.136 -1.525 1
1 637 . 10 1 1 A 57 57 PHE N N 57 118.625 119.053 -0.428 1
1 638 . 10 1 1 A 57 57 PHE H H 57 8.932 8.096 0.836 1
1 639 . 10 1 1 A 57 57 PHE CA C 57 59.503 58.181 1.322 1
1 640 . 10 1 1 A 57 57 PHE HA H 57 4.819 4.451 0.368 1
1 641 . 10 1 1 A 57 57 PHE CB C 57 39.871 39.116 0.755 1
1 653 . 10 1 1 A 57 57 PHE C C 57 176.025 174.754 1.271 1
1 655 . 10 1 1 A 58 58 ILE N N 58 131.418 128.031 3.387 1
1 656 . 10 1 1 A 58 58 ILE H H 58 8.989 8.654 0.335 1
1 657 . 10 1 1 A 58 58 ILE CA C 58 61.138 60.074 1.064 1
1 658 . 10 1 1 A 58 58 ILE HA H 58 4.001 4.466 -0.465 1
1 659 . 10 1 1 A 58 58 ILE CB C 58 41.349 40.047 1.302 1
1 671 . 10 1 1 A 58 58 ILE C C 58 173.046 173.807 -0.761 1
1 673 . 10 1 1 A 59 59 CYS N N 59 126.838 128.187 -1.349 1
1 674 . 10 1 1 A 59 59 CYS H H 59 8.844 8.741 0.103 1
1 675 . 10 1 1 A 59 59 CYS CA C 59 56.902 56.655 0.247 1
1 676 . 10 1 1 A 59 59 CYS HA H 59 5.044 5.129 -0.085 1
1 677 . 10 1 1 A 59 59 CYS CB C 59 28.363 29.547 -1.184 1
1 679 . 10 1 1 A 59 59 CYS C C 59 173.375 173.234 0.141 1
1 681 . 10 1 1 A 60 60 GLN N N 60 126.903 126.271 0.632 1
1 682 . 10 1 1 A 60 60 GLN H H 60 8.929 8.655 0.274 1
1 683 . 10 1 1 A 60 60 GLN CA C 60 54.162 54.522 -0.360 1
1 684 . 10 1 1 A 60 60 GLN HA H 60 4.656 5.098 -0.442 1
1 685 . 10 1 1 A 60 60 GLN CB C 60 31.991 31.322 0.669 1
1 691 . 10 1 1 A 60 60 GLN C C 60 174.000 175.056 -1.056 1
1 694 . 10 1 1 A 61 61 ALA N N 61 124.049 121.811 2.238 1
1 695 . 10 1 1 A 61 61 ALA H H 61 8.178 8.660 -0.482 1
1 696 . 10 1 1 A 61 61 ALA CA C 61 50.160 50.655 -0.495 1
1 697 . 10 1 1 A 61 61 ALA HA H 61 5.192 5.406 -0.214 1
1 698 . 10 1 1 A 61 61 ALA CB C 61 23.419 24.078 -0.659 1
1 702 . 10 1 1 A 61 61 ALA C C 61 175.076 175.411 -0.335 1
1 703 . 10 1 1 A 62 62 ALA N N 62 121.362 120.159 1.203 1
1 704 . 10 1 1 A 62 62 ALA H H 62 8.488 8.386 0.102 1
1 705 . 10 1 1 A 62 62 ALA CA C 62 51.309 51.628 -0.319 1
1 706 . 10 1 1 A 62 62 ALA HA H 62 4.667 5.053 -0.386 1
1 707 . 10 1 1 A 62 62 ALA CB C 62 22.617 22.013 0.604 1
1 711 . 10 1 1 A 62 62 ALA C C 62 176.013 176.028 -0.015 1
1 712 . 10 1 1 A 63 63 VAL N N 63 113.572 117.396 -3.824 1
1 713 . 10 1 1 A 63 63 VAL H H 63 8.271 8.699 -0.428 1
1 714 . 10 1 1 A 63 63 VAL CA C 63 57.691 57.990 -0.299 1
1 715 . 10 1 1 A 63 63 VAL HA H 63 5.045 4.910 0.135 1
1 716 . 10 1 1 A 63 63 VAL CB C 63 32.968 33.675 -0.707 1
1 726 . 10 1 1 A 63 63 VAL C C 63 173.707 173.780 -0.073 1
1 727 . 10 1 1 A 64 64 PRO CA C 64 62.757 62.477 0.280 1
1 728 . 10 1 1 A 64 64 PRO HA H 64 4.459 4.577 -0.118 1
1 729 . 10 1 1 A 64 64 PRO CB C 64 32.728 32.519 0.209 1
1 735 . 10 1 1 A 64 64 PRO C C 64 176.348 177.678 -1.330 1
1 739 . 10 1 1 A 65 65 LYS N N 65 118.624 123.229 -4.605 1
1 740 . 10 1 1 A 65 65 LYS H H 65 8.323 9.074 -0.751 1
1 741 . 10 1 1 A 65 65 LYS CA C 65 58.516 59.524 -1.008 1
1 742 . 10 1 1 A 65 65 LYS HA H 65 4.183 3.916 0.267 1
1 743 . 10 1 1 A 65 65 LYS CB C 65 32.320 32.094 0.226 1
1 751 . 10 1 1 A 65 65 LYS C C 65 176.595 178.232 -1.637 1
1 756 . 10 1 1 A 66 66 SER N N 66 111.762 116.226 -4.464 1
1 757 . 10 1 1 A 66 66 SER H H 66 7.779 8.128 -0.349 1
1 758 . 10 1 1 A 66 66 SER CA C 66 59.298 62.400 -3.102 1
1 759 . 10 1 1 A 66 66 SER HA H 66 4.234 4.111 0.123 1
1 760 . 10 1 1 A 66 66 SER CB C 66 62.984 62.873 0.111 1
1 762 . 10 1 1 A 66 66 SER C C 66 174.137 175.049 -0.912 1
1 764 . 10 1 1 A 67 67 LEU N N 67 124.569 118.393 6.176 1
1 765 . 10 1 1 A 67 67 LEU H H 67 8.109 7.680 0.429 1
1 766 . 10 1 1 A 67 67 LEU CA C 67 54.940 53.046 1.894 1
1 767 . 10 1 1 A 67 67 LEU HA H 67 4.836 5.075 -0.239 1
1 768 . 10 1 1 A 67 67 LEU CB C 67 43.882 44.506 -0.624 1
1 780 . 10 1 1 A 67 67 LEU C C 67 174.925 175.840 -0.915 1
1 782 . 10 1 1 A 68 68 GLN N N 68 117.163 121.118 -3.955 1
1 783 . 10 1 1 A 68 68 GLN H H 68 8.063 8.677 -0.614 1
1 784 . 10 1 1 A 68 68 GLN CA C 68 54.829 54.118 0.711 1
1 785 . 10 1 1 A 68 68 GLN HA H 68 4.674 5.082 -0.408 1
1 786 . 10 1 1 A 68 68 GLN CB C 68 31.579 32.506 -0.927 1
1 793 . 10 1 1 A 68 68 GLN C C 68 174.077 173.650 0.427 1
1 796 . 10 1 1 A 69 69 LEU N N 69 126.046 123.860 2.186 1
1 797 . 10 1 1 A 69 69 LEU H H 69 8.676 8.918 -0.242 1
1 798 . 10 1 1 A 69 69 LEU CA C 69 54.073 53.951 0.122 1
1 799 . 10 1 1 A 69 69 LEU HA H 69 5.231 5.161 0.070 1
1 800 . 10 1 1 A 69 69 LEU CB C 69 45.602 46.387 -0.785 1
1 811 . 10 1 1 A 69 69 LEU C C 69 175.497 174.439 1.058 1
1 813 . 10 1 1 A 70 70 GLN N N 70 126.758 125.183 1.575 1
1 814 . 10 1 1 A 70 70 GLN H H 70 9.410 9.005 0.405 1
1 815 . 10 1 1 A 70 70 GLN CA C 70 54.657 54.587 0.070 1
1 816 . 10 1 1 A 70 70 GLN HA H 70 4.746 4.851 -0.105 1
1 817 . 10 1 1 A 70 70 GLN CB C 70 31.537 32.651 -1.114 1
1 824 . 10 1 1 A 70 70 GLN C C 70 174.686 174.397 0.289 1
1 827 . 10 1 1 A 71 71 LEU N N 71 126.413 128.430 -2.017 1
1 828 . 10 1 1 A 71 71 LEU H H 71 8.936 8.720 0.216 1
1 829 . 10 1 1 A 71 71 LEU CA C 71 55.294 54.594 0.700 1
1 830 . 10 1 1 A 71 71 LEU HA H 71 4.752 4.537 0.215 1
1 831 . 10 1 1 A 71 71 LEU CB C 71 43.898 42.858 1.040 1
1 843 . 10 1 1 A 71 71 LEU C C 71 176.498 175.628 0.870 1
1 845 . 10 1 1 A 72 72 GLN N N 72 121.553 127.523 -5.970 1
1 846 . 10 1 1 A 72 72 GLN H H 72 8.100 7.929 0.171 1
1 847 . 10 1 1 A 72 72 GLN CA C 72 54.209 55.154 -0.945 1
1 848 . 10 1 1 A 72 72 GLN HA H 72 4.589 4.295 0.294 1
1 849 . 10 1 1 A 72 72 GLN CB C 72 31.142 29.771 1.371 1
1 856 . 10 1 1 A 72 72 GLN C C 72 174.254 175.718 -1.464 1
1 859 . 10 1 1 A 73 73 ALA N N 73 124.262 126.698 -2.436 1
1 860 . 10 1 1 A 73 73 ALA H H 73 8.452 8.244 0.208 1
1 861 . 10 1 1 A 73 73 ALA CA C 73 51.211 50.652 0.559 1
1 862 . 10 1 1 A 73 73 ALA HA H 73 4.500 4.247 0.253 1
1 863 . 10 1 1 A 73 73 ALA CB C 73 17.185 18.921 -1.736 1
1 867 . 10 1 1 A 73 73 ALA C C 73 176.548 175.894 0.654 1
1 868 . 10 1 1 A 74 74 PRO CA C 74 62.160 62.267 -0.107 1
1 869 . 10 1 1 A 74 74 PRO HA H 74 4.848 4.805 0.043 1
1 870 . 10 1 1 A 74 74 PRO CB C 74 32.897 33.219 -0.322 1
1 874 . 10 1 1 A 74 74 PRO C C 74 177.266 176.397 0.869 1
1 878 . 10 1 1 A 75 75 SER N N 75 115.398 115.194 0.204 1
1 879 . 10 1 1 A 75 75 SER H H 75 9.293 8.795 0.498 1
1 880 . 10 1 1 A 75 75 SER CA C 75 61.024 59.077 1.947 1
1 881 . 10 1 1 A 75 75 SER HA H 75 4.154 4.522 -0.368 1
1 882 . 10 1 1 A 75 75 SER CB C 75 62.867 65.100 -2.233 1
1 884 . 10 1 1 A 75 75 SER C C 75 174.460 173.951 0.509 1
1 886 . 10 1 1 A 76 76 GLY N N 76 106.233 106.910 -0.677 1
1 887 . 10 1 1 A 76 76 GLY H H 76 7.208 7.238 -0.030 1
1 888 . 10 1 1 A 76 76 GLY CA C 76 44.930 46.025 -1.095 1
1 889 . 10 1 1 A 76 76 GLY HA3 H 76 4.306 4.028 0.278 1
1 890 . 10 1 1 A 76 76 GLY C C 76 171.327 172.663 -1.336 1
1 891 . 10 1 1 A 76 76 GLY HA2 H 76 4.095 4.025 0.070 1
1 892 . 10 1 1 A 77 77 ASN CA C 77 53.060 52.550 0.510 1
1 893 . 10 1 1 A 77 77 ASN HA H 77 5.001 4.839 0.162 1
1 894 . 10 1 1 A 77 77 ASN CB C 77 40.650 36.652 3.998 1
1 899 . 10 1 1 A 77 77 ASN C C 77 173.427 173.460 -0.033 1
1 901 . 10 1 1 A 78 78 THR N N 78 114.705 114.986 -0.281 1
1 902 . 10 1 1 A 78 78 THR H H 78 7.579 8.027 -0.448 1
1 903 . 10 1 1 A 78 78 THR CA C 78 59.766 61.281 -1.515 1
1 904 . 10 1 1 A 78 78 THR HA H 78 5.174 4.809 0.365 1
1 905 . 10 1 1 A 78 78 THR CB C 78 71.855 71.644 0.211 1
1 911 . 10 1 1 A 78 78 THR C C 78 173.138 173.400 -0.262 1
1 912 . 10 1 1 A 79 79 VAL N N 79 123.606 126.099 -2.493 1
1 913 . 10 1 1 A 79 79 VAL H H 79 8.696 9.047 -0.351 1
1 914 . 10 1 1 A 79 79 VAL CA C 79 58.982 58.571 0.411 1
1 915 . 10 1 1 A 79 79 VAL HA H 79 4.495 4.478 0.017 1
1 916 . 10 1 1 A 79 79 VAL CB C 79 32.717 35.255 -2.538 1
1 926 . 10 1 1 A 79 79 VAL C C 79 174.289 174.045 0.244 1
1 927 . 10 1 1 A 80 80 PRO CA C 80 63.184 62.779 0.405 1
1 928 . 10 1 1 A 80 80 PRO HA H 80 4.160 4.652 -0.492 1
1 929 . 10 1 1 A 80 80 PRO CB C 80 33.128 32.662 0.466 1
1 935 . 10 1 1 A 80 80 PRO C C 80 174.009 176.327 -2.318 1
1 939 . 10 1 1 A 81 81 ALA N N 81 120.000 124.580 -4.580 1
1 940 . 10 1 1 A 81 81 ALA H H 81 8.371 8.062 0.309 1
1 941 . 10 1 1 A 81 81 ALA CA C 81 51.951 52.458 -0.507 1
1 942 . 10 1 1 A 81 81 ALA HA H 81 3.715 4.362 -0.647 1
1 943 . 10 1 1 A 81 81 ALA CB C 81 20.029 19.247 0.782 1
1 947 . 10 1 1 A 81 81 ALA C C 81 176.740 177.633 -0.893 1
1 948 . 10 1 1 A 82 82 ARG N N 82 111.901 117.854 -5.953 1
1 949 . 10 1 1 A 82 82 ARG H H 82 8.724 7.651 1.073 1
1 950 . 10 1 1 A 82 82 ARG CA C 82 57.062 55.071 1.991 1
1 951 . 10 1 1 A 82 82 ARG HA H 82 3.665 4.525 -0.860 1
1 952 . 10 1 1 A 82 82 ARG CB C 82 26.959 30.571 -3.612 1
1 958 . 10 1 1 A 82 82 ARG C C 82 176.777 175.810 0.967 1
1 962 . 10 1 1 A 83 83 GLY N N 83 107.610 108.873 -1.263 1
1 963 . 10 1 1 A 83 83 GLY H H 83 9.251 7.433 1.818 1
1 964 . 10 1 1 A 83 83 GLY CA C 83 46.389 46.393 -0.004 1
1 965 . 10 1 1 A 83 83 GLY HA3 H 83 3.731 3.525 0.206 1
1 966 . 10 1 1 A 83 83 GLY C C 83 176.193 174.599 1.594 1
1 967 . 10 1 1 A 83 83 GLY HA2 H 83 3.352 3.052 0.300 1
1 968 . 10 1 1 A 84 84 GLY N N 84 106.030 107.960 -1.930 1
1 969 . 10 1 1 A 84 84 GLY H H 84 7.015 7.908 -0.893 1
1 970 . 10 1 1 A 84 84 GLY CA C 84 45.272 44.387 0.885 1
1 971 . 10 1 1 A 84 84 GLY HA3 H 84 3.537 3.955 -0.418 1
1 972 . 10 1 1 A 84 84 GLY C C 84 171.651 173.382 -1.731 1
1 973 . 10 1 1 A 84 84 GLY HA2 H 84 3.891 3.942 -0.051 1
1 974 . 10 1 1 A 85 85 LEU N N 85 120.524 122.315 -1.791 1
1 975 . 10 1 1 A 85 85 LEU H H 85 7.903 8.210 -0.307 1
1 976 . 10 1 1 A 85 85 LEU CA C 85 53.494 50.850 2.644 1
1 977 . 10 1 1 A 85 85 LEU HA H 85 4.346 4.814 -0.468 1
1 978 . 10 1 1 A 85 85 LEU CB C 85 42.901 43.722 -0.821 1
1 990 . 10 1 1 A 85 85 LEU C C 85 174.362 175.167 -0.805 1
1 992 . 10 1 1 A 86 86 PRO CA C 86 62.752 62.146 0.606 1
1 993 . 10 1 1 A 86 86 PRO HA H 86 4.570 4.582 -0.012 1
1 994 . 10 1 1 A 86 86 PRO CB C 86 33.557 32.803 0.754 1
1 1000 . 10 1 1 A 86 86 PRO C C 86 178.338 175.565 2.773 1
1 1004 . 10 1 1 A 87 87 ILE N N 87 118.504 121.172 -2.668 1
1 1005 . 10 1 1 A 87 87 ILE H H 87 7.544 8.433 -0.889 1
1 1006 . 10 1 1 A 87 87 ILE CA C 87 60.571 60.194 0.377 1
1 1007 . 10 1 1 A 87 87 ILE HA H 87 4.021 4.761 -0.740 1
1 1008 . 10 1 1 A 87 87 ILE CB C 87 40.787 40.838 -0.051 1
1 1020 . 10 1 1 A 87 87 ILE C C 87 175.620 175.494 0.126 1
1 1022 . 10 1 1 A 88 88 THR N N 88 115.839 115.632 0.207 1
1 1023 . 10 1 1 A 88 88 THR H H 88 8.788 8.876 -0.088 1
1 1024 . 10 1 1 A 88 88 THR CA C 88 58.935 60.596 -1.661 1
1 1025 . 10 1 1 A 88 88 THR HA H 88 5.678 5.529 0.149 1
1 1026 . 10 1 1 A 88 88 THR CB C 88 72.532 71.341 1.191 1
1 1032 . 10 1 1 A 88 88 THR C C 88 174.318 172.278 2.040 1
1 1033 . 10 1 1 A 89 89 GLN N N 89 121.295 124.746 -3.451 1
1 1034 . 10 1 1 A 89 89 GLN H H 89 8.399 9.137 -0.738 1
1 1035 . 10 1 1 A 89 89 GLN CA C 89 56.259 53.948 2.311 1
1 1036 . 10 1 1 A 89 89 GLN HA H 89 4.528 4.966 -0.438 1
1 1037 . 10 1 1 A 89 89 GLN CB C 89 30.760 32.171 -1.411 1
1 1044 . 10 1 1 A 89 89 GLN C C 89 172.439 173.538 -1.099 1
1 1047 . 10 1 1 A 90 90 LEU N N 90 129.715 128.159 1.556 1
1 1048 . 10 1 1 A 90 90 LEU H H 90 8.426 8.356 0.070 1
1 1049 . 10 1 1 A 90 90 LEU CA C 90 54.513 53.554 0.959 1
1 1050 . 10 1 1 A 90 90 LEU HA H 90 5.103 4.851 0.252 1
1 1051 . 10 1 1 A 90 90 LEU CB C 90 44.412 44.557 -0.145 1
1 1063 . 10 1 1 A 90 90 LEU C C 90 175.027 174.147 0.880 1
1 1065 . 10 1 1 A 91 91 PHE N N 91 123.227 124.297 -1.070 1
1 1066 . 10 1 1 A 91 91 PHE H H 91 9.647 8.694 0.953 1
1 1067 . 10 1 1 A 91 91 PHE CA C 91 55.327 56.305 -0.978 1
1 1068 . 10 1 1 A 91 91 PHE HA H 91 5.064 5.254 -0.190 1
1 1069 . 10 1 1 A 91 91 PHE CB C 91 40.899 41.614 -0.715 1
1 1081 . 10 1 1 A 91 91 PHE C C 91 174.296 174.957 -0.661 1
1 1083 . 10 1 1 A 92 92 ARG N N 92 121.174 124.518 -3.344 1
1 1084 . 10 1 1 A 92 92 ARG H H 92 8.726 8.906 -0.180 1
1 1085 . 10 1 1 A 92 92 ARG CA C 92 55.046 56.108 -1.062 1
1 1086 . 10 1 1 A 92 92 ARG HA H 92 5.109 4.722 0.387 1
1 1087 . 10 1 1 A 92 92 ARG CB C 92 32.524 30.857 1.667 1
1 1093 . 10 1 1 A 92 92 ARG C C 92 175.154 175.174 -0.020 1
1 1097 . 10 1 1 A 93 93 ILE N N 93 126.629 125.384 1.245 1
1 1098 . 10 1 1 A 93 93 ILE H H 93 9.599 8.827 0.772 1
1 1099 . 10 1 1 A 93 93 ILE CA C 93 59.538 59.899 -0.361 1
1 1100 . 10 1 1 A 93 93 ILE HA H 93 5.206 5.342 -0.136 1
1 1101 . 10 1 1 A 93 93 ILE CB C 93 40.963 41.172 -0.209 1
1 1113 . 10 1 1 A 93 93 ILE C C 93 174.400 174.918 -0.518 1
1 1115 . 10 1 1 A 94 94 LEU N N 94 127.940 126.801 1.139 1
1 1116 . 10 1 1 A 94 94 LEU H H 94 8.853 8.935 -0.082 1
1 1117 . 10 1 1 A 94 94 LEU CA C 94 53.673 53.155 0.518 1
1 1118 . 10 1 1 A 94 94 LEU HA H 94 5.152 5.155 -0.003 1
1 1119 . 10 1 1 A 94 94 LEU CB C 94 44.245 43.786 0.459 1
1 1131 . 10 1 1 A 94 94 LEU C C 94 176.106 175.806 0.300 1
1 1133 . 10 1 1 A 95 95 ASN N N 95 119.567 122.666 -3.099 1
1 1134 . 10 1 1 A 95 95 ASN H H 95 9.271 9.023 0.248 1
1 1135 . 10 1 1 A 95 95 ASN CA C 95 49.634 50.873 -1.239 1
1 1136 . 10 1 1 A 95 95 ASN HA H 95 5.361 5.274 0.087 1
1 1137 . 10 1 1 A 95 95 ASN CB C 95 39.189 39.185 0.004 1
1 1142 . 10 1 1 A 95 95 ASN C C 95 173.779 173.944 -0.165 1
1 1144 . 10 1 1 A 96 96 PRO CA C 96 64.795 64.491 0.304 1
1 1145 . 10 1 1 A 96 96 PRO HA H 96 4.306 4.472 -0.166 1
1 1146 . 10 1 1 A 96 96 PRO CB C 96 32.010 31.920 0.090 1
1 1152 . 10 1 1 A 96 96 PRO C C 96 177.656 177.515 0.141 1
1 1156 . 10 1 1 A 97 97 ASN N N 97 114.343 114.793 -0.450 1
1 1157 . 10 1 1 A 97 97 ASN H H 97 8.840 7.863 0.977 1
1 1158 . 10 1 1 A 97 97 ASN CA C 97 52.889 53.018 -0.129 1
1 1159 . 10 1 1 A 97 97 ASN HA H 97 4.828 4.790 0.038 1
1 1160 . 10 1 1 A 97 97 ASN CB C 97 38.085 38.491 -0.406 1
1 1165 . 10 1 1 A 97 97 ASN C C 97 174.361 174.593 -0.232 1
1 1167 . 10 1 1 A 98 98 LYS N N 98 118.175 115.965 2.210 1
1 1168 . 10 1 1 A 98 98 LYS H H 98 7.735 7.590 0.145 1
1 1169 . 10 1 1 A 98 98 LYS CA C 98 57.625 57.354 0.271 1
1 1170 . 10 1 1 A 98 98 LYS HA H 98 3.780 3.861 -0.081 1
1 1171 . 10 1 1 A 98 98 LYS CB C 98 29.343 29.254 0.089 1
1 1179 . 10 1 1 A 98 98 LYS C C 98 174.779 174.990 -0.211 1
1 1184 . 10 1 1 A 99 99 ALA N N 99 122.321 121.380 0.941 1
1 1185 . 10 1 1 A 99 99 ALA H H 99 8.454 7.822 0.632 1
1 1186 . 10 1 1 A 99 99 ALA CA C 99 49.893 48.851 1.042 1
1 1187 . 10 1 1 A 99 99 ALA HA H 99 4.415 4.581 -0.166 1
1 1188 . 10 1 1 A 99 99 ALA CB C 99 18.125 20.065 -1.940 1
1 1192 . 10 1 1 A 99 99 ALA C C 99 175.018 176.232 -1.214 1
1 1193 . 10 1 1 A 100 100 PRO CA C 100 62.082 62.372 -0.290 1
1 1194 . 10 1 1 A 100 100 PRO CB C 100 31.068 30.095 0.973 1
1 1203 . 10 1 1 A 101 101 LEU H H 101 5.223 8.392 -3.169 1
1 1204 . 10 1 1 A 101 101 LEU CA C 101 55.181 53.296 1.885 1
1 1205 . 10 1 1 A 101 101 LEU HA H 101 3.758 4.903 -1.145 1
1 1206 . 10 1 1 A 101 101 LEU CB C 101 43.103 43.247 -0.144 1
1 1218 . 10 1 1 A 101 101 LEU C C 101 174.350 176.676 -2.326 1
1 1220 . 10 1 1 A 102 102 ARG N N 102 122.304 118.027 4.277 1
1 1221 . 10 1 1 A 102 102 ARG H H 102 6.412 8.621 -2.209 1
1 1222 . 10 1 1 A 102 102 ARG CA C 102 54.659 54.468 0.191 1
1 1223 . 10 1 1 A 102 102 ARG HA H 102 4.500 5.056 -0.556 1
1 1224 . 10 1 1 A 102 102 ARG CB C 102 33.168 32.788 0.380 1
1 1230 . 10 1 1 A 102 102 ARG C C 102 173.625 174.495 -0.870 1
1 1234 . 10 1 1 A 103 103 LEU N N 103 119.849 121.905 -2.056 1
1 1235 . 10 1 1 A 103 103 LEU H H 103 8.301 8.772 -0.471 1
1 1236 . 10 1 1 A 103 103 LEU CA C 103 53.667 54.017 -0.350 1
1 1237 . 10 1 1 A 103 103 LEU HA H 103 4.886 5.005 -0.119 1
1 1238 . 10 1 1 A 103 103 LEU CB C 103 47.097 46.117 0.980 1
1 1250 . 10 1 1 A 103 103 LEU C C 103 173.874 174.156 -0.282 1
1 1252 . 10 1 1 A 104 104 LYS N N 104 126.165 128.771 -2.606 1
1 1253 . 10 1 1 A 104 104 LYS H H 104 8.516 8.751 -0.235 1
1 1254 . 10 1 1 A 104 104 LYS CA C 104 55.117 55.641 -0.524 1
1 1255 . 10 1 1 A 104 104 LYS HA H 104 4.773 4.738 0.035 1
1 1256 . 10 1 1 A 104 104 LYS CB C 104 34.581 33.482 1.099 1
1 1264 . 10 1 1 A 104 104 LYS C C 104 174.980 175.116 -0.136 1
1 1269 . 10 1 1 A 105 105 LEU N N 105 125.172 127.463 -2.291 1
1 1270 . 10 1 1 A 105 105 LEU H H 105 8.586 8.804 -0.218 1
1 1271 . 10 1 1 A 105 105 LEU CA C 105 53.059 53.002 0.057 1
1 1272 . 10 1 1 A 105 105 LEU HA H 105 4.923 4.989 -0.066 1
1 1273 . 10 1 1 A 105 105 LEU CB C 105 44.358 44.840 -0.482 1
1 1285 . 10 1 1 A 105 105 LEU C C 105 174.037 174.984 -0.947 1
1 1287 . 10 1 1 A 106 106 ARG N N 106 119.880 124.548 -4.668 1
1 1288 . 10 1 1 A 106 106 ARG H H 106 8.363 9.320 -0.957 1
1 1289 . 10 1 1 A 106 106 ARG CA C 106 54.374 54.319 0.055 1
1 1290 . 10 1 1 A 106 106 ARG HA H 106 4.926 4.959 -0.033 1
1 1291 . 10 1 1 A 106 106 ARG CB C 106 32.783 33.476 -0.693 1
1 1297 . 10 1 1 A 106 106 ARG C C 106 174.611 174.063 0.548 1
1 1301 . 10 1 1 A 107 107 LEU N N 107 128.498 127.975 0.523 1
1 1302 . 10 1 1 A 107 107 LEU H H 107 9.260 8.711 0.549 1
1 1303 . 10 1 1 A 107 107 LEU CA C 107 52.942 53.319 -0.377 1
1 1304 . 10 1 1 A 107 107 LEU HA H 107 5.110 5.313 -0.203 1
1 1305 . 10 1 1 A 107 107 LEU CB C 107 45.279 44.161 1.118 1
1 1317 . 10 1 1 A 107 107 LEU C C 107 175.494 175.951 -0.457 1
1 1319 . 10 1 1 A 108 108 THR N N 108 114.947 115.493 -0.546 1
1 1320 . 10 1 1 A 108 108 THR H H 108 8.424 8.572 -0.148 1
1 1321 . 10 1 1 A 108 108 THR CA C 108 59.201 60.610 -1.409 1
1 1322 . 10 1 1 A 108 108 THR HA H 108 5.344 5.208 0.136 1
1 1323 . 10 1 1 A 108 108 THR CB C 108 71.413 71.290 0.123 1
1 1329 . 10 1 1 A 108 108 THR C C 108 172.424 172.788 -0.364 1
1 1330 . 10 1 1 A 109 109 TYR N N 109 114.691 119.855 -5.164 1
1 1331 . 10 1 1 A 109 109 TYR H H 109 8.056 8.319 -0.263 1
1 1332 . 10 1 1 A 109 109 TYR CA C 109 57.133 56.250 0.883 1
1 1333 . 10 1 1 A 109 109 TYR HA H 109 4.769 5.250 -0.481 1
1 1334 . 10 1 1 A 109 109 TYR CB C 109 38.008 40.302 -2.294 1
1 1344 . 10 1 1 A 109 109 TYR C C 109 171.790 171.873 -0.083 1
1 1346 . 10 1 1 A 110 110 ASP N N 110 119.179 120.270 -1.091 1
1 1347 . 10 1 1 A 110 110 ASP H H 110 9.332 9.001 0.331 1
1 1348 . 10 1 1 A 110 110 ASP CA C 110 53.147 53.315 -0.168 1
1 1349 . 10 1 1 A 110 110 ASP HA H 110 5.855 5.603 0.252 1
1 1350 . 10 1 1 A 110 110 ASP CB C 110 42.179 42.870 -0.691 1
1 1352 . 10 1 1 A 110 110 ASP C C 110 176.257 175.626 0.631 1
1 1354 . 10 1 1 A 111 111 HIS N N 111 122.092 123.529 -1.437 1
1 1355 . 10 1 1 A 111 111 HIS H H 111 8.993 9.123 -0.130 1
1 1356 . 10 1 1 A 111 111 HIS CA C 111 55.365 55.840 -0.475 1
1 1357 . 10 1 1 A 111 111 HIS HA H 111 4.768 4.983 -0.215 1
1 1358 . 10 1 1 A 111 111 HIS CB C 111 36.414 33.498 2.916 1
1 1364 . 10 1 1 A 111 111 HIS C C 111 175.420 174.676 0.744 1
1 1366 . 10 1 1 A 112 112 PHE N N 112 129.361 127.007 2.354 1
1 1367 . 10 1 1 A 112 112 PHE H H 112 10.128 9.720 0.408 1
1 1368 . 10 1 1 A 112 112 PHE CA C 112 59.353 59.025 0.328 1
1 1369 . 10 1 1 A 112 112 PHE HA H 112 3.972 4.062 -0.090 1
1 1370 . 10 1 1 A 112 112 PHE CB C 112 36.136 36.502 -0.366 1
1 1382 . 10 1 1 A 112 112 PHE C C 112 175.288 175.211 0.077 1
1 1384 . 10 1 1 A 113 113 HIS N N 113 109.753 109.198 0.555 1
1 1385 . 10 1 1 A 113 113 HIS H H 113 8.856 8.651 0.205 1
1 1386 . 10 1 1 A 113 113 HIS CA C 113 57.593 56.741 0.852 1
1 1387 . 10 1 1 A 113 113 HIS HA H 113 4.168 4.180 -0.012 1
1 1388 . 10 1 1 A 113 113 HIS CB C 113 27.575 26.986 0.589 1
1 1394 . 10 1 1 A 113 113 HIS C C 113 174.146 173.749 0.397 1
1 1396 . 10 1 1 A 114 114 GLN N N 114 118.510 113.982 4.528 1
1 1397 . 10 1 1 A 114 114 GLN H H 114 7.930 7.503 0.427 1
1 1398 . 10 1 1 A 114 114 GLN CA C 114 54.303 54.590 -0.287 1
1 1399 . 10 1 1 A 114 114 GLN HA H 114 4.674 4.756 -0.082 1
1 1400 . 10 1 1 A 114 114 GLN CB C 114 31.548 31.723 -0.175 1
1 1407 . 10 1 1 A 114 114 GLN C C 114 174.702 174.161 0.541 1
1 1410 . 10 1 1 A 115 115 SER N N 115 118.183 115.974 2.209 1
1 1411 . 10 1 1 A 115 115 SER H H 115 8.528 8.600 -0.072 1
1 1412 . 10 1 1 A 115 115 SER CA C 115 57.665 57.981 -0.316 1
1 1413 . 10 1 1 A 115 115 SER HA H 115 5.112 4.810 0.302 1
1 1414 . 10 1 1 A 115 115 SER CB C 115 63.266 63.512 -0.246 1
1 1416 . 10 1 1 A 115 115 SER C C 115 174.157 173.623 0.534 1
1 1418 . 10 1 1 A 116 116 VAL N N 116 130.788 125.960 4.828 1
1 1419 . 10 1 1 A 116 116 VAL H H 116 9.445 8.676 0.769 1
1 1420 . 10 1 1 A 116 116 VAL CA C 116 62.375 61.453 0.922 1
1 1421 . 10 1 1 A 116 116 VAL HA H 116 3.870 4.519 -0.649 1
1 1422 . 10 1 1 A 116 116 VAL CB C 116 32.564 32.782 -0.218 1
1 1432 . 10 1 1 A 116 116 VAL C C 116 175.674 174.336 1.338 1
1 1433 . 10 1 1 A 117 117 GLN N N 117 127.278 128.776 -1.498 1
1 1434 . 10 1 1 A 117 117 GLN H H 117 8.612 8.999 -0.387 1
1 1435 . 10 1 1 A 117 117 GLN CA C 117 55.004 54.716 0.288 1
1 1436 . 10 1 1 A 117 117 GLN HA H 117 5.170 5.014 0.156 1
1 1437 . 10 1 1 A 117 117 GLN CB C 117 31.166 31.423 -0.257 1
1 1444 . 10 1 1 A 117 117 GLN C C 117 174.229 174.110 0.119 1
1 1447 . 10 1 1 A 118 118 GLU N N 118 125.633 126.133 -0.500 1
1 1448 . 10 1 1 A 118 118 GLU H H 118 8.960 8.786 0.174 1
1 1449 . 10 1 1 A 118 118 GLU CA C 118 54.799 54.890 -0.091 1
1 1450 . 10 1 1 A 118 118 GLU HA H 118 4.869 5.091 -0.222 1
1 1451 . 10 1 1 A 118 118 GLU CB C 118 33.675 32.292 1.383 1
1 1455 . 10 1 1 A 118 118 GLU C C 118 174.340 175.391 -1.051 1
1 1458 . 10 1 1 A 119 119 ILE N N 119 123.525 124.734 -1.209 1
1 1459 . 10 1 1 A 119 119 ILE H H 119 8.683 9.072 -0.389 1
1 1460 . 10 1 1 A 119 119 ILE CA C 119 60.005 60.111 -0.106 1
1 1461 . 10 1 1 A 119 119 ILE HA H 119 5.157 4.694 0.463 1
1 1462 . 10 1 1 A 119 119 ILE CB C 119 40.761 39.864 0.897 1
1 1474 . 10 1 1 A 119 119 ILE C C 119 175.386 175.444 -0.058 1
1 1476 . 10 1 1 A 120 120 PHE N N 120 122.954 123.685 -0.731 1
1 1477 . 10 1 1 A 120 120 PHE H H 120 8.647 8.176 0.471 1
1 1478 . 10 1 1 A 120 120 PHE CA C 120 55.754 55.161 0.593 1
1 1479 . 10 1 1 A 120 120 PHE HA H 120 5.064 5.549 -0.485 1
1 1480 . 10 1 1 A 120 120 PHE CB C 120 39.904 43.002 -3.098 1
1 1492 . 10 1 1 A 120 120 PHE C C 120 172.536 172.869 -0.333 1
1 1494 . 10 1 1 A 121 121 GLU N N 121 120.205 119.522 0.683 1
1 1495 . 10 1 1 A 121 121 GLU H H 121 8.807 8.801 0.006 1
1 1496 . 10 1 1 A 121 121 GLU CA C 121 54.976 55.406 -0.430 1
1 1497 . 10 1 1 A 121 121 GLU HA H 121 4.795 5.050 -0.255 1
1 1498 . 10 1 1 A 121 121 GLU CB C 121 31.537 32.380 -0.843 1
1 1502 . 10 1 1 A 121 121 GLU C C 121 175.979 175.980 -0.001 1
1 1505 . 10 1 1 A 122 122 VAL N N 122 124.567 125.870 -1.303 1
1 1506 . 10 1 1 A 122 122 VAL H H 122 8.818 8.693 0.125 1
1 1507 . 10 1 1 A 122 122 VAL CA C 122 62.536 63.526 -0.990 1
1 1508 . 10 1 1 A 122 122 VAL HA H 122 4.300 4.148 0.152 1
1 1509 . 10 1 1 A 122 122 VAL CB C 122 32.136 31.329 0.807 1
1 1519 . 10 1 1 A 122 122 VAL C C 122 175.324 177.242 -1.918 1
1 1520 . 10 1 1 A 123 123 ASN N N 123 125.013 121.027 3.986 1
1 1521 . 10 1 1 A 123 123 ASN H H 123 8.770 8.790 -0.020 1
1 1522 . 10 1 1 A 123 123 ASN CA C 123 52.889 52.160 0.729 1
1 1523 . 10 1 1 A 123 123 ASN HA H 123 5.072 5.093 -0.021 1
1 1524 . 10 1 1 A 123 123 ASN CB C 123 40.114 38.597 1.517 1
1 1529 . 10 1 1 A 123 123 ASN C C 123 174.799 175.787 -0.988 1
1 1531 . 10 1 1 A 124 124 ASN N N 124 117.247 116.497 0.750 1
1 1532 . 10 1 1 A 124 124 ASN H H 124 8.599 8.423 0.176 1
1 1533 . 10 1 1 A 124 124 ASN CA C 124 52.853 52.362 0.491 1
1 1534 . 10 1 1 A 124 124 ASN HA H 124 4.721 4.860 -0.139 1
1 1535 . 10 1 1 A 124 124 ASN CB C 124 36.882 38.812 -1.930 1
1 1540 . 10 1 1 A 124 124 ASN C C 124 174.437 175.593 -1.156 1
1 1542 . 10 1 1 A 125 125 LEU N N 125 119.273 124.674 -5.401 1
1 1543 . 10 1 1 A 125 125 LEU H H 125 8.105 7.387 0.718 1
1 1544 . 10 1 1 A 125 125 LEU CA C 125 53.787 53.923 -0.136 1
1 1545 . 10 1 1 A 125 125 LEU HA H 125 4.187 4.437 -0.250 1
1 1546 . 10 1 1 A 125 125 LEU CB C 125 40.398 41.780 -1.382 1
1 1558 . 10 1 1 A 125 125 LEU C C 125 175.528 174.765 0.763 1
1 1560 . 10 1 1 A 126 126 PRO CA C 126 62.439 62.752 -0.313 1
1 1561 . 10 1 1 A 126 126 PRO HA H 126 4.519 4.479 0.040 1
1 1562 . 10 1 1 A 126 126 PRO CB C 126 31.210 32.220 -1.010 1
1 1568 . 10 1 1 A 126 126 PRO C C 126 179.073 177.287 1.786 1
1 1572 . 10 1 1 A 127 127 VAL N N 127 124.759 123.429 1.330 1
1 1573 . 10 1 1 A 127 127 VAL H H 127 8.794 8.454 0.340 1
1 1574 . 10 1 1 A 127 127 VAL CA C 127 64.360 65.104 -0.744 1
1 1575 . 10 1 1 A 127 127 VAL HA H 127 3.216 3.613 -0.397 1
1 1576 . 10 1 1 A 127 127 VAL CB C 127 30.825 31.451 -0.626 1
1 1586 . 10 1 1 A 127 127 VAL C C 127 176.789 177.047 -0.258 1
1 1587 . 10 1 1 A 128 128 GLU N N 128 119.892 122.792 -2.900 1
1 1588 . 10 1 1 A 128 128 GLU H H 128 9.460 8.187 1.273 1
1 1589 . 10 1 1 A 128 128 GLU CA C 128 59.216 59.246 -0.030 1
1 1590 . 10 1 1 A 128 128 GLU HA H 128 3.831 3.688 0.143 1
1 1591 . 10 1 1 A 128 128 GLU CB C 128 29.188 29.065 0.123 1
1 1595 . 10 1 1 A 128 128 GLU C C 128 177.624 178.680 -1.056 1
1 1598 . 10 1 1 A 129 129 SER N N 129 112.727 113.252 -0.525 1
1 1599 . 10 1 1 A 129 129 SER H H 129 8.057 8.027 0.030 1
1 1600 . 10 1 1 A 129 129 SER CA C 129 61.024 61.192 -0.168 1
1 1601 . 10 1 1 A 129 129 SER HA H 129 3.925 4.098 -0.173 1
1 1602 . 10 1 1 A 129 129 SER CB C 129 64.440 61.742 2.698 1
1 1604 . 10 1 1 A 129 129 SER C C 129 173.147 176.471 -3.324 1
1 1606 . 10 1 1 A 130 130 TRP N N 130 117.092 119.619 -2.527 1
1 1607 . 10 1 1 A 130 130 TRP H H 130 7.184 8.075 -0.891 1
1 1608 . 10 1 1 A 130 130 TRP CA C 130 57.027 58.771 -1.744 1
1 1609 . 10 1 1 A 130 130 TRP HA H 130 4.974 4.636 0.338 1
1 1610 . 10 1 1 A 130 130 TRP CB C 130 31.384 29.868 1.516 1
1 1624 . 10 1 1 A 130 130 TRP C C 130 174.759 177.865 -3.106 1
1 1 . 11 1 1 A 6 6 SER CA C 6 58.371 56.180 2.191 1
1 2 . 11 1 1 A 6 6 SER HA H 6 4.533 5.359 -0.826 1
1 3 . 11 1 1 A 6 6 SER CB C 6 63.994 65.718 -1.724 1
1 5 . 11 1 1 A 6 6 SER C C 6 174.472 173.254 1.218 1
1 7 . 11 1 1 A 7 7 GLY N N 7 110.741 108.087 2.654 1
1 8 . 11 1 1 A 7 7 GLY H H 7 8.209 8.212 -0.003 1
1 9 . 11 1 1 A 7 7 GLY CA C 7 44.501 44.258 0.243 1
1 10 . 11 1 1 A 7 7 GLY HA3 H 7 4.059 4.099 -0.040 1
1 11 . 11 1 1 A 7 7 GLY C C 7 171.084 172.684 -1.600 1
1 12 . 11 1 1 A 7 7 GLY HA2 H 7 4.155 4.098 0.057 1
1 13 . 11 1 1 A 8 8 PRO CA C 8 61.515 62.133 -0.618 1
1 14 . 11 1 1 A 8 8 PRO HA H 8 4.713 4.661 0.052 1
1 15 . 11 1 1 A 8 8 PRO CB C 8 30.760 31.780 -1.020 1
1 24 . 11 1 1 A 9 9 PRO HA H 9 4.724 4.556 0.168 1
1 30 . 11 1 1 A 10 10 PRO CA C 10 62.761 62.467 0.294 1
1 31 . 11 1 1 A 10 10 PRO HA H 10 4.389 4.588 -0.199 1
1 32 . 11 1 1 A 10 10 PRO CB C 10 32.082 33.173 -1.091 1
1 37 . 11 1 1 A 10 10 PRO C C 10 176.236 175.339 0.897 1
1 41 . 11 1 1 A 11 11 ALA N N 11 125.926 121.435 4.491 1
1 42 . 11 1 1 A 11 11 ALA H H 11 8.352 8.220 0.132 1
1 43 . 11 1 1 A 11 11 ALA CA C 11 50.343 49.176 1.167 1
1 44 . 11 1 1 A 11 11 ALA HA H 11 4.583 4.810 -0.227 1
1 45 . 11 1 1 A 11 11 ALA CB C 11 18.255 20.226 -1.971 1
1 49 . 11 1 1 A 11 11 ALA C C 11 175.479 175.159 0.320 1
1 50 . 11 1 1 A 12 12 PRO CA C 12 62.757 62.227 0.530 1
1 51 . 11 1 1 A 12 12 PRO HA H 12 4.386 4.646 -0.260 1
1 52 . 11 1 1 A 12 12 PRO CB C 12 32.104 33.118 -1.014 1
1 57 . 11 1 1 A 12 12 PRO C C 12 176.478 175.325 1.153 1
1 61 . 11 1 1 A 13 13 ILE N N 13 124.607 121.162 3.445 1
1 62 . 11 1 1 A 13 13 ILE H H 13 8.661 8.359 0.302 1
1 63 . 11 1 1 A 13 13 ILE CA C 13 59.081 58.080 1.001 1
1 64 . 11 1 1 A 13 13 ILE HA H 13 4.288 4.559 -0.271 1
1 65 . 11 1 1 A 13 13 ILE CB C 13 39.710 39.287 0.423 1
1 77 . 11 1 1 A 13 13 ILE C C 13 174.727 174.489 0.238 1
1 79 . 11 1 1 A 14 14 PRO CA C 14 63.433 62.282 1.151 1
1 80 . 11 1 1 A 14 14 PRO HA H 14 4.457 4.634 -0.177 1
1 81 . 11 1 1 A 14 14 PRO CB C 14 32.428 32.656 -0.228 1
1 86 . 11 1 1 A 14 14 PRO C C 14 175.380 175.992 -0.612 1
1 90 . 11 1 1 A 15 15 ASP N N 15 118.741 121.903 -3.162 1
1 91 . 11 1 1 A 15 15 ASP H H 15 8.042 8.637 -0.595 1
1 92 . 11 1 1 A 15 15 ASP CA C 15 54.213 53.789 0.424 1
1 93 . 11 1 1 A 15 15 ASP HA H 15 5.064 5.191 -0.127 1
1 94 . 11 1 1 A 15 15 ASP CB C 15 41.793 42.359 -0.566 1
1 96 . 11 1 1 A 15 15 ASP C C 15 176.413 175.628 0.785 1
1 98 . 11 1 1 A 16 16 LEU N N 16 121.451 120.986 0.465 1
1 99 . 11 1 1 A 16 16 LEU H H 16 9.016 8.936 0.080 1
1 100 . 11 1 1 A 16 16 LEU CA C 16 53.914 53.295 0.619 1
1 101 . 11 1 1 A 16 16 LEU HA H 16 4.847 5.014 -0.167 1
1 102 . 11 1 1 A 16 16 LEU CB C 16 48.283 45.463 2.820 1
1 114 . 11 1 1 A 16 16 LEU C C 16 174.915 175.456 -0.541 1
1 116 . 11 1 1 A 17 17 LYS N N 17 130.346 126.172 4.174 1
1 117 . 11 1 1 A 17 17 LYS H H 17 8.937 8.823 0.114 1
1 118 . 11 1 1 A 17 17 LYS CA C 17 57.027 56.651 0.376 1
1 119 . 11 1 1 A 17 17 LYS HA H 17 4.821 4.454 0.367 1
1 120 . 11 1 1 A 17 17 LYS CB C 17 31.991 32.511 -0.520 1
1 128 . 11 1 1 A 17 17 LYS C C 17 177.744 176.398 1.346 1
1 133 . 11 1 1 A 18 18 VAL N N 18 116.605 121.652 -5.047 1
1 134 . 11 1 1 A 18 18 VAL H H 18 8.228 8.310 -0.082 1
1 135 . 11 1 1 A 18 18 VAL CA C 18 60.586 61.907 -1.321 1
1 136 . 11 1 1 A 18 18 VAL HA H 18 4.807 4.137 0.670 1
1 137 . 11 1 1 A 18 18 VAL CB C 18 33.601 33.347 0.254 1
1 147 . 11 1 1 A 18 18 VAL C C 18 174.118 175.430 -1.312 1
1 148 . 11 1 1 A 19 19 PHE N N 19 120.586 121.087 -0.501 1
1 149 . 11 1 1 A 19 19 PHE H H 19 7.429 7.016 0.413 1
1 150 . 11 1 1 A 19 19 PHE CA C 19 57.947 57.234 0.713 1
1 151 . 11 1 1 A 19 19 PHE HA H 19 4.544 4.659 -0.115 1
1 152 . 11 1 1 A 19 19 PHE CB C 19 43.455 42.676 0.779 1
1 162 . 11 1 1 A 19 19 PHE C C 19 172.947 173.078 -0.131 1
1 164 . 11 1 1 A 20 20 GLU N N 20 126.790 126.739 0.051 1
1 165 . 11 1 1 A 20 20 GLU H H 20 7.620 8.362 -0.742 1
1 166 . 11 1 1 A 20 20 GLU CA C 20 55.117 55.364 -0.247 1
1 167 . 11 1 1 A 20 20 GLU HA H 20 5.059 4.905 0.154 1
1 168 . 11 1 1 A 20 20 GLU CB C 20 32.091 32.084 0.007 1
1 172 . 11 1 1 A 20 20 GLU C C 20 174.073 174.342 -0.269 1
1 175 . 11 1 1 A 21 21 ARG N N 21 125.153 127.911 -2.758 1
1 176 . 11 1 1 A 21 21 ARG H H 21 8.806 9.102 -0.296 1
1 177 . 11 1 1 A 21 21 ARG CA C 21 56.532 54.247 2.285 1
1 178 . 11 1 1 A 21 21 ARG HA H 21 4.234 4.901 -0.667 1
1 179 . 11 1 1 A 21 21 ARG CB C 21 33.707 34.151 -0.444 1
1 185 . 11 1 1 A 21 21 ARG C C 21 176.293 174.849 1.444 1
1 189 . 11 1 1 A 22 22 GLU N N 22 132.286 124.752 7.534 1
1 190 . 11 1 1 A 22 22 GLU H H 22 9.887 8.750 1.137 1
1 191 . 11 1 1 A 22 22 GLU CA C 22 57.271 57.866 -0.595 1
1 192 . 11 1 1 A 22 22 GLU HA H 22 3.968 4.179 -0.211 1
1 193 . 11 1 1 A 22 22 GLU CB C 22 28.595 29.141 -0.546 1
1 197 . 11 1 1 A 22 22 GLU C C 22 175.219 177.093 -1.874 1
1 200 . 11 1 1 A 23 23 GLY N N 23 103.445 113.676 -10.231 1
1 201 . 11 1 1 A 23 23 GLY H H 23 8.570 9.063 -0.493 1
1 202 . 11 1 1 A 23 23 GLY CA C 23 45.698 45.386 0.312 1
1 203 . 11 1 1 A 23 23 GLY HA3 H 23 4.242 4.242 0.000 1
1 204 . 11 1 1 A 23 23 GLY C C 23 173.517 173.850 -0.333 1
1 205 . 11 1 1 A 23 23 GLY HA2 H 23 3.658 4.201 -0.543 1
1 206 . 11 1 1 A 24 24 VAL N N 24 124.489 120.862 3.627 1
1 207 . 11 1 1 A 24 24 VAL H H 24 8.016 8.216 -0.200 1
1 208 . 11 1 1 A 24 24 VAL CA C 24 61.341 61.674 -0.333 1
1 209 . 11 1 1 A 24 24 VAL HA H 24 4.780 4.289 0.491 1
1 210 . 11 1 1 A 24 24 VAL CB C 24 32.051 33.186 -1.135 1
1 220 . 11 1 1 A 24 24 VAL C C 24 175.459 174.976 0.483 1
1 221 . 11 1 1 A 25 25 GLN N N 25 123.296 125.518 -2.222 1
1 222 . 11 1 1 A 25 25 GLN H H 25 8.446 8.726 -0.280 1
1 223 . 11 1 1 A 25 25 GLN CA C 25 53.879 54.239 -0.360 1
1 224 . 11 1 1 A 25 25 GLN HA H 25 5.378 5.242 0.136 1
1 225 . 11 1 1 A 25 25 GLN CB C 25 33.065 32.344 0.721 1
1 232 . 11 1 1 A 25 25 GLN C C 25 174.348 174.411 -0.063 1
1 235 . 11 1 1 A 26 26 LEU N N 26 120.847 124.707 -3.860 1
1 236 . 11 1 1 A 26 26 LEU H H 26 8.579 9.387 -0.808 1
1 237 . 11 1 1 A 26 26 LEU CA C 26 53.914 53.900 0.014 1
1 238 . 11 1 1 A 26 26 LEU HA H 26 5.400 5.314 0.086 1
1 239 . 11 1 1 A 26 26 LEU CB C 26 47.336 46.290 1.046 1
1 251 . 11 1 1 A 26 26 LEU C C 26 174.842 174.660 0.182 1
1 253 . 11 1 1 A 27 27 ASN N N 27 124.346 124.225 0.121 1
1 254 . 11 1 1 A 27 27 ASN H H 27 8.738 9.273 -0.535 1
1 255 . 11 1 1 A 27 27 ASN CA C 27 52.063 51.801 0.262 1
1 256 . 11 1 1 A 27 27 ASN HA H 27 5.542 5.397 0.145 1
1 257 . 11 1 1 A 27 27 ASN CB C 27 43.866 41.896 1.970 1
1 262 . 11 1 1 A 27 27 ASN C C 27 173.520 174.014 -0.494 1
1 264 . 11 1 1 A 28 28 LEU N N 28 124.198 124.279 -0.081 1
1 265 . 11 1 1 A 28 28 LEU H H 28 9.406 8.579 0.827 1
1 266 . 11 1 1 A 28 28 LEU CA C 28 53.773 53.334 0.439 1
1 267 . 11 1 1 A 28 28 LEU HA H 28 4.995 5.174 -0.179 1
1 268 . 11 1 1 A 28 28 LEU CB C 28 44.307 45.971 -1.664 1
1 280 . 11 1 1 A 28 28 LEU C C 28 174.670 174.009 0.661 1
1 282 . 11 1 1 A 29 29 SER N N 29 115.017 120.735 -5.718 1
1 283 . 11 1 1 A 29 29 SER H H 29 8.314 8.551 -0.237 1
1 284 . 11 1 1 A 29 29 SER CA C 29 56.340 56.184 0.156 1
1 285 . 11 1 1 A 29 29 SER HA H 29 4.807 5.023 -0.216 1
1 286 . 11 1 1 A 29 29 SER CB C 29 65.926 64.995 0.931 1
1 288 . 11 1 1 A 29 29 SER C C 29 172.842 172.318 0.524 1
1 290 . 11 1 1 A 30 30 PHE N N 30 119.941 125.542 -5.601 1
1 291 . 11 1 1 A 30 30 PHE H H 30 9.366 8.735 0.631 1
1 292 . 11 1 1 A 30 30 PHE CA C 30 57.047 56.725 0.322 1
1 293 . 11 1 1 A 30 30 PHE HA H 30 5.374 5.205 0.169 1
1 294 . 11 1 1 A 30 30 PHE CB C 30 44.307 41.902 2.405 1
1 306 . 11 1 1 A 30 30 PHE C C 30 175.242 175.249 -0.007 1
1 308 . 11 1 1 A 31 31 ILE N N 31 122.161 120.921 1.240 1
1 309 . 11 1 1 A 31 31 ILE H H 31 8.950 8.639 0.311 1
1 310 . 11 1 1 A 31 31 ILE CA C 31 60.680 60.333 0.347 1
1 311 . 11 1 1 A 31 31 ILE HA H 31 4.338 4.841 -0.503 1
1 312 . 11 1 1 A 31 31 ILE CB C 31 42.354 42.231 0.123 1
1 324 . 11 1 1 A 31 31 ILE C C 31 174.368 175.165 -0.797 1
1 326 . 11 1 1 A 32 32 ARG N N 32 128.976 127.237 1.739 1
1 327 . 11 1 1 A 32 32 ARG H H 32 8.773 8.908 -0.135 1
1 328 . 11 1 1 A 32 32 ARG CA C 32 51.444 52.628 -1.184 1
1 329 . 11 1 1 A 32 32 ARG HA H 32 5.263 4.835 0.428 1
1 330 . 11 1 1 A 32 32 ARG CB C 32 29.600 31.439 -1.839 1
1 338 . 11 1 1 A 32 32 ARG C C 32 173.585 173.825 -0.240 1
1 342 . 11 1 1 A 33 33 PRO CA C 33 60.759 61.860 -1.101 1
1 343 . 11 1 1 A 33 33 PRO HA H 33 4.581 4.678 -0.097 1
1 344 . 11 1 1 A 33 33 PRO CB C 33 32.219 32.487 -0.268 1
1 353 . 11 1 1 A 34 34 PRO CA C 34 64.464 65.270 -0.806 1
1 354 . 11 1 1 A 34 34 PRO HA H 34 4.236 4.222 0.014 1
1 355 . 11 1 1 A 34 34 PRO CB C 34 31.997 32.050 -0.053 1
1 361 . 11 1 1 A 34 34 PRO C C 34 178.240 178.453 -0.213 1
1 365 . 11 1 1 A 35 35 GLU N N 35 115.025 116.183 -1.158 1
1 366 . 11 1 1 A 35 35 GLU H H 35 9.287 8.851 0.436 1
1 367 . 11 1 1 A 35 35 GLU CA C 35 57.753 58.791 -1.038 1
1 368 . 11 1 1 A 35 35 GLU HA H 35 4.205 4.136 0.069 1
1 369 . 11 1 1 A 35 35 GLU CB C 35 28.595 28.853 -0.258 1
1 373 . 11 1 1 A 35 35 GLU C C 35 176.471 176.869 -0.398 1
1 376 . 11 1 1 A 36 36 ASN N N 36 114.302 118.101 -3.799 1
1 377 . 11 1 1 A 36 36 ASN H H 36 7.257 7.926 -0.669 1
1 378 . 11 1 1 A 36 36 ASN CA C 36 50.593 50.039 0.554 1
1 379 . 11 1 1 A 36 36 ASN HA H 36 5.024 5.191 -0.167 1
1 380 . 11 1 1 A 36 36 ASN CB C 36 39.094 39.193 -0.099 1
1 385 . 11 1 1 A 36 36 ASN C C 36 172.128 173.666 -1.538 1
1 387 . 11 1 1 A 37 37 PRO CA C 37 64.287 64.731 -0.444 1
1 388 . 11 1 1 A 37 37 PRO HA H 37 4.600 4.384 0.216 1
1 389 . 11 1 1 A 37 37 PRO CB C 37 32.235 31.958 0.277 1
1 394 . 11 1 1 A 37 37 PRO C C 37 176.707 177.691 -0.984 1
1 398 . 11 1 1 A 38 38 ALA N N 38 117.780 117.708 0.072 1
1 399 . 11 1 1 A 38 38 ALA H H 38 7.596 8.028 -0.432 1
1 400 . 11 1 1 A 38 38 ALA CA C 38 52.674 53.044 -0.370 1
1 401 . 11 1 1 A 38 38 ALA HA H 38 4.262 4.369 -0.107 1
1 402 . 11 1 1 A 38 38 ALA CB C 38 19.201 19.316 -0.115 1
1 406 . 11 1 1 A 38 38 ALA C C 38 176.546 176.993 -0.447 1
1 407 . 11 1 1 A 39 39 LEU N N 39 122.870 121.168 1.702 1
1 408 . 11 1 1 A 39 39 LEU H H 39 7.963 7.157 0.806 1
1 409 . 11 1 1 A 39 39 LEU CA C 39 54.548 53.932 0.616 1
1 410 . 11 1 1 A 39 39 LEU HA H 39 4.953 4.876 0.077 1
1 411 . 11 1 1 A 39 39 LEU CB C 39 44.768 44.340 0.428 1
1 423 . 11 1 1 A 39 39 LEU C C 39 173.627 175.167 -1.540 1
1 425 . 11 1 1 A 40 40 LEU N N 40 125.985 128.841 -2.856 1
1 426 . 11 1 1 A 40 40 LEU H H 40 9.247 8.904 0.343 1
1 427 . 11 1 1 A 40 40 LEU CA C 40 53.914 53.589 0.325 1
1 428 . 11 1 1 A 40 40 LEU HA H 40 5.018 5.158 -0.140 1
1 429 . 11 1 1 A 40 40 LEU CB C 40 45.014 44.460 0.554 1
1 441 . 11 1 1 A 40 40 LEU C C 40 174.170 174.812 -0.642 1
1 443 . 11 1 1 A 41 41 LEU N N 41 125.906 129.134 -3.228 1
1 444 . 11 1 1 A 41 41 LEU H H 41 9.224 9.097 0.127 1
1 445 . 11 1 1 A 41 41 LEU CA C 41 53.190 53.937 -0.747 1
1 446 . 11 1 1 A 41 41 LEU HA H 41 5.222 4.929 0.293 1
1 447 . 11 1 1 A 41 41 LEU CB C 41 42.034 41.670 0.364 1
1 459 . 11 1 1 A 41 41 LEU C C 41 177.109 176.128 0.981 1
1 461 . 11 1 1 A 42 42 ILE N N 42 124.731 126.064 -1.333 1
1 462 . 11 1 1 A 42 42 ILE H H 42 9.087 8.855 0.232 1
1 463 . 11 1 1 A 42 42 ILE CA C 42 59.794 60.129 -0.335 1
1 464 . 11 1 1 A 42 42 ILE HA H 42 5.055 4.974 0.081 1
1 465 . 11 1 1 A 42 42 ILE CB C 42 41.019 40.086 0.933 1
1 477 . 11 1 1 A 42 42 ILE C C 42 175.074 175.133 -0.059 1
1 479 . 11 1 1 A 43 43 THR N N 43 123.315 121.474 1.841 1
1 480 . 11 1 1 A 43 43 THR H H 43 8.589 8.721 -0.132 1
1 481 . 11 1 1 A 43 43 THR CA C 43 61.677 61.749 -0.072 1
1 482 . 11 1 1 A 43 43 THR HA H 43 5.023 5.426 -0.403 1
1 483 . 11 1 1 A 43 43 THR CB C 43 69.838 71.689 -1.851 1
1 489 . 11 1 1 A 43 43 THR C C 43 174.993 173.240 1.753 1
1 490 . 11 1 1 A 44 44 ILE N N 44 126.677 127.070 -0.393 1
1 491 . 11 1 1 A 44 44 ILE H H 44 9.329 9.170 0.159 1
1 492 . 11 1 1 A 44 44 ILE CA C 44 59.794 60.008 -0.214 1
1 493 . 11 1 1 A 44 44 ILE HA H 44 4.953 4.970 -0.017 1
1 494 . 11 1 1 A 44 44 ILE CB C 44 38.754 40.045 -1.291 1
1 506 . 11 1 1 A 44 44 ILE C C 44 174.670 175.542 -0.872 1
1 508 . 11 1 1 A 45 45 THR N N 45 120.442 123.480 -3.038 1
1 509 . 11 1 1 A 45 45 THR H H 45 8.740 8.818 -0.078 1
1 510 . 11 1 1 A 45 45 THR CA C 45 61.579 61.697 -0.118 1
1 511 . 11 1 1 A 45 45 THR HA H 45 5.266 4.907 0.359 1
1 512 . 11 1 1 A 45 45 THR CB C 45 70.338 70.531 -0.193 1
1 518 . 11 1 1 A 45 45 THR C C 45 174.494 173.324 1.170 1
1 519 . 11 1 1 A 46 46 ALA N N 46 134.267 130.382 3.885 1
1 520 . 11 1 1 A 46 46 ALA H H 46 9.489 8.971 0.518 1
1 521 . 11 1 1 A 46 46 ALA CA C 46 49.846 50.133 -0.287 1
1 522 . 11 1 1 A 46 46 ALA HA H 46 5.554 5.041 0.513 1
1 523 . 11 1 1 A 46 46 ALA CB C 46 20.414 20.527 -0.113 1
1 527 . 11 1 1 A 46 46 ALA C C 46 174.819 176.267 -1.448 1
1 528 . 11 1 1 A 47 47 THR N N 47 111.611 114.731 -3.120 1
1 529 . 11 1 1 A 47 47 THR H H 47 8.431 8.506 -0.075 1
1 530 . 11 1 1 A 47 47 THR CA C 47 59.331 59.943 -0.612 1
1 531 . 11 1 1 A 47 47 THR HA H 47 4.409 5.121 -0.712 1
1 532 . 11 1 1 A 47 47 THR CB C 47 71.655 70.643 1.012 1
1 538 . 11 1 1 A 47 47 THR C C 47 173.104 172.440 0.664 1
1 539 . 11 1 1 A 48 48 ASN N N 48 117.087 124.188 -7.101 1
1 540 . 11 1 1 A 48 48 ASN H H 48 8.647 8.599 0.048 1
1 541 . 11 1 1 A 48 48 ASN CA C 48 51.019 51.393 -0.374 1
1 542 . 11 1 1 A 48 48 ASN HA H 48 5.096 5.230 -0.134 1
1 543 . 11 1 1 A 48 48 ASN CB C 48 39.880 41.528 -1.648 1
1 548 . 11 1 1 A 48 48 ASN C C 48 173.769 174.408 -0.639 1
1 550 . 11 1 1 A 49 49 PHE N N 49 123.238 122.267 0.971 1
1 551 . 11 1 1 A 49 49 PHE H H 49 9.105 8.796 0.309 1
1 552 . 11 1 1 A 49 49 PHE CA C 49 57.422 58.272 -0.850 1
1 553 . 11 1 1 A 49 49 PHE HA H 49 4.601 4.689 -0.088 1
1 554 . 11 1 1 A 49 49 PHE CB C 49 38.770 40.914 -2.144 1
1 566 . 11 1 1 A 49 49 PHE C C 49 176.238 175.517 0.721 1
1 568 . 11 1 1 A 50 50 SER N N 50 118.477 114.039 4.438 1
1 569 . 11 1 1 A 50 50 SER H H 50 8.344 7.738 0.606 1
1 570 . 11 1 1 A 50 50 SER CA C 50 58.654 58.237 0.417 1
1 571 . 11 1 1 A 50 50 SER HA H 50 4.933 4.556 0.377 1
1 572 . 11 1 1 A 50 50 SER CB C 50 66.611 65.325 1.286 1
1 573 . 11 1 1 A 50 50 SER C C 50 173.089 175.828 -2.739 1
1 574 . 11 1 1 A 51 51 GLU N N 51 114.036 119.062 -5.026 1
1 575 . 11 1 1 A 51 51 GLU H H 51 9.051 9.179 -0.128 1
1 576 . 11 1 1 A 51 51 GLU CA C 51 56.701 57.993 -1.292 1
1 577 . 11 1 1 A 51 51 GLU HA H 51 4.358 4.170 0.188 1
1 578 . 11 1 1 A 51 51 GLU CB C 51 30.323 29.646 0.677 1
1 582 . 11 1 1 A 51 51 GLU C C 51 175.603 176.738 -1.135 1
1 585 . 11 1 1 A 52 52 GLY N N 52 109.625 107.675 1.950 1
1 586 . 11 1 1 A 52 52 GLY H H 52 8.525 7.623 0.902 1
1 587 . 11 1 1 A 52 52 GLY CA C 52 44.267 44.950 -0.683 1
1 588 . 11 1 1 A 52 52 GLY HA3 H 52 4.505 3.321 1.184 1
1 589 . 11 1 1 A 52 52 GLY C C 52 173.168 173.457 -0.289 1
1 590 . 11 1 1 A 52 52 GLY HA2 H 52 2.842 2.400 0.442 1
1 591 . 11 1 1 A 53 53 ASP N N 53 125.175 124.578 0.597 1
1 592 . 11 1 1 A 53 53 ASP H H 53 9.001 8.320 0.681 1
1 593 . 11 1 1 A 53 53 ASP CA C 53 55.793 54.489 1.304 1
1 594 . 11 1 1 A 53 53 ASP HA H 53 4.082 4.477 -0.395 1
1 595 . 11 1 1 A 53 53 ASP CB C 53 40.522 41.132 -0.610 1
1 597 . 11 1 1 A 53 53 ASP C C 53 176.506 176.260 0.246 1
1 599 . 11 1 1 A 54 54 VAL N N 54 125.250 122.485 2.765 1
1 600 . 11 1 1 A 54 54 VAL H H 54 7.873 8.195 -0.322 1
1 601 . 11 1 1 A 54 54 VAL CA C 54 61.350 61.441 -0.091 1
1 602 . 11 1 1 A 54 54 VAL HA H 54 4.759 4.625 0.134 1
1 603 . 11 1 1 A 54 54 VAL CB C 54 32.808 32.857 -0.049 1
1 613 . 11 1 1 A 54 54 VAL C C 54 176.126 175.374 0.752 1
1 614 . 11 1 1 A 55 55 THR N N 55 116.888 117.634 -0.746 1
1 615 . 11 1 1 A 55 55 THR H H 55 9.004 8.551 0.453 1
1 616 . 11 1 1 A 55 55 THR CA C 55 59.194 59.861 -0.667 1
1 617 . 11 1 1 A 55 55 THR HA H 55 4.920 4.800 0.120 1
1 618 . 11 1 1 A 55 55 THR CB C 55 72.508 71.430 1.078 1
1 624 . 11 1 1 A 55 55 THR C C 55 173.166 173.712 -0.546 1
1 625 . 11 1 1 A 56 56 HIS N N 56 115.667 116.770 -1.103 1
1 626 . 11 1 1 A 56 56 HIS H H 56 9.193 8.265 0.928 1
1 627 . 11 1 1 A 56 56 HIS CA C 56 56.363 56.714 -0.351 1
1 628 . 11 1 1 A 56 56 HIS HA H 56 4.153 4.037 0.116 1
1 629 . 11 1 1 A 56 56 HIS CB C 56 26.923 27.117 -0.194 1
1 635 . 11 1 1 A 56 56 HIS C C 56 173.611 173.732 -0.121 1
1 637 . 11 1 1 A 57 57 PHE N N 57 118.625 118.140 0.485 1
1 638 . 11 1 1 A 57 57 PHE H H 57 8.932 8.031 0.901 1
1 639 . 11 1 1 A 57 57 PHE CA C 57 59.503 57.318 2.185 1
1 640 . 11 1 1 A 57 57 PHE HA H 57 4.819 4.759 0.060 1
1 641 . 11 1 1 A 57 57 PHE CB C 57 39.871 39.849 0.022 1
1 653 . 11 1 1 A 57 57 PHE C C 57 176.025 174.358 1.667 1
1 655 . 11 1 1 A 58 58 ILE N N 58 131.418 127.875 3.543 1
1 656 . 11 1 1 A 58 58 ILE H H 58 8.989 9.552 -0.563 1
1 657 . 11 1 1 A 58 58 ILE CA C 58 61.138 59.730 1.408 1
1 658 . 11 1 1 A 58 58 ILE HA H 58 4.001 4.640 -0.639 1
1 659 . 11 1 1 A 58 58 ILE CB C 58 41.349 40.871 0.478 1
1 671 . 11 1 1 A 58 58 ILE C C 58 173.046 174.334 -1.288 1
1 673 . 11 1 1 A 59 59 CYS N N 59 126.838 128.134 -1.296 1
1 674 . 11 1 1 A 59 59 CYS H H 59 8.844 8.889 -0.045 1
1 675 . 11 1 1 A 59 59 CYS CA C 59 56.902 56.898 0.004 1
1 676 . 11 1 1 A 59 59 CYS HA H 59 5.044 5.387 -0.343 1
1 677 . 11 1 1 A 59 59 CYS CB C 59 28.363 30.314 -1.951 1
1 679 . 11 1 1 A 59 59 CYS C C 59 173.375 173.446 -0.071 1
1 681 . 11 1 1 A 60 60 GLN N N 60 126.903 126.277 0.626 1
1 682 . 11 1 1 A 60 60 GLN H H 60 8.929 8.717 0.212 1
1 683 . 11 1 1 A 60 60 GLN CA C 60 54.162 54.556 -0.394 1
1 684 . 11 1 1 A 60 60 GLN HA H 60 4.656 5.008 -0.352 1
1 685 . 11 1 1 A 60 60 GLN CB C 60 31.991 31.918 0.073 1
1 691 . 11 1 1 A 60 60 GLN C C 60 174.000 174.745 -0.745 1
1 694 . 11 1 1 A 61 61 ALA N N 61 124.049 121.202 2.847 1
1 695 . 11 1 1 A 61 61 ALA H H 61 8.178 8.627 -0.449 1
1 696 . 11 1 1 A 61 61 ALA CA C 61 50.160 51.005 -0.845 1
1 697 . 11 1 1 A 61 61 ALA HA H 61 5.192 5.334 -0.142 1
1 698 . 11 1 1 A 61 61 ALA CB C 61 23.419 24.017 -0.598 1
1 702 . 11 1 1 A 61 61 ALA C C 61 175.076 175.215 -0.139 1
1 703 . 11 1 1 A 62 62 ALA N N 62 121.362 120.787 0.575 1
1 704 . 11 1 1 A 62 62 ALA H H 62 8.488 8.386 0.102 1
1 705 . 11 1 1 A 62 62 ALA CA C 62 51.309 51.253 0.056 1
1 706 . 11 1 1 A 62 62 ALA HA H 62 4.667 5.140 -0.473 1
1 707 . 11 1 1 A 62 62 ALA CB C 62 22.617 23.389 -0.772 1
1 711 . 11 1 1 A 62 62 ALA C C 62 176.013 176.005 0.008 1
1 712 . 11 1 1 A 63 63 VAL N N 63 113.572 114.747 -1.175 1
1 713 . 11 1 1 A 63 63 VAL H H 63 8.271 8.718 -0.447 1
1 714 . 11 1 1 A 63 63 VAL CA C 63 57.691 57.869 -0.178 1
1 715 . 11 1 1 A 63 63 VAL HA H 63 5.045 4.937 0.108 1
1 716 . 11 1 1 A 63 63 VAL CB C 63 32.968 34.630 -1.662 1
1 726 . 11 1 1 A 63 63 VAL C C 63 173.707 173.206 0.501 1
1 727 . 11 1 1 A 64 64 PRO CA C 64 62.757 62.533 0.224 1
1 728 . 11 1 1 A 64 64 PRO HA H 64 4.459 4.634 -0.175 1
1 729 . 11 1 1 A 64 64 PRO CB C 64 32.728 32.635 0.093 1
1 735 . 11 1 1 A 64 64 PRO C C 64 176.348 177.805 -1.457 1
1 739 . 11 1 1 A 65 65 LYS N N 65 118.624 124.358 -5.734 1
1 740 . 11 1 1 A 65 65 LYS H H 65 8.323 9.006 -0.683 1
1 741 . 11 1 1 A 65 65 LYS CA C 65 58.516 59.535 -1.019 1
1 742 . 11 1 1 A 65 65 LYS HA H 65 4.183 3.913 0.270 1
1 743 . 11 1 1 A 65 65 LYS CB C 65 32.320 32.246 0.074 1
1 751 . 11 1 1 A 65 65 LYS C C 65 176.595 178.248 -1.653 1
1 756 . 11 1 1 A 66 66 SER N N 66 111.762 115.811 -4.049 1
1 757 . 11 1 1 A 66 66 SER H H 66 7.779 8.058 -0.279 1
1 758 . 11 1 1 A 66 66 SER CA C 66 59.298 62.386 -3.088 1
1 759 . 11 1 1 A 66 66 SER HA H 66 4.234 4.110 0.124 1
1 760 . 11 1 1 A 66 66 SER CB C 66 62.984 62.874 0.110 1
1 762 . 11 1 1 A 66 66 SER C C 66 174.137 174.980 -0.843 1
1 764 . 11 1 1 A 67 67 LEU N N 67 124.569 118.551 6.018 1
1 765 . 11 1 1 A 67 67 LEU H H 67 8.109 8.100 0.009 1
1 766 . 11 1 1 A 67 67 LEU CA C 67 54.940 53.002 1.938 1
1 767 . 11 1 1 A 67 67 LEU HA H 67 4.836 5.132 -0.296 1
1 768 . 11 1 1 A 67 67 LEU CB C 67 43.882 44.730 -0.848 1
1 780 . 11 1 1 A 67 67 LEU C C 67 174.925 175.695 -0.770 1
1 782 . 11 1 1 A 68 68 GLN N N 68 117.163 120.991 -3.828 1
1 783 . 11 1 1 A 68 68 GLN H H 68 8.063 8.758 -0.695 1
1 784 . 11 1 1 A 68 68 GLN CA C 68 54.829 54.130 0.699 1
1 785 . 11 1 1 A 68 68 GLN HA H 68 4.674 5.167 -0.493 1
1 786 . 11 1 1 A 68 68 GLN CB C 68 31.579 32.443 -0.864 1
1 793 . 11 1 1 A 68 68 GLN C C 68 174.077 173.781 0.296 1
1 796 . 11 1 1 A 69 69 LEU N N 69 126.046 123.474 2.572 1
1 797 . 11 1 1 A 69 69 LEU H H 69 8.676 8.890 -0.214 1
1 798 . 11 1 1 A 69 69 LEU CA C 69 54.073 54.057 0.016 1
1 799 . 11 1 1 A 69 69 LEU HA H 69 5.231 5.082 0.149 1
1 800 . 11 1 1 A 69 69 LEU CB C 69 45.602 46.227 -0.625 1
1 811 . 11 1 1 A 69 69 LEU C C 69 175.497 174.452 1.045 1
1 813 . 11 1 1 A 70 70 GLN N N 70 126.758 126.151 0.607 1
1 814 . 11 1 1 A 70 70 GLN H H 70 9.410 9.081 0.329 1
1 815 . 11 1 1 A 70 70 GLN CA C 70 54.657 54.392 0.265 1
1 816 . 11 1 1 A 70 70 GLN HA H 70 4.746 4.972 -0.226 1
1 817 . 11 1 1 A 70 70 GLN CB C 70 31.537 32.316 -0.779 1
1 824 . 11 1 1 A 70 70 GLN C C 70 174.686 174.277 0.409 1
1 827 . 11 1 1 A 71 71 LEU N N 71 126.413 128.277 -1.864 1
1 828 . 11 1 1 A 71 71 LEU H H 71 8.936 8.737 0.199 1
1 829 . 11 1 1 A 71 71 LEU CA C 71 55.294 54.665 0.629 1
1 830 . 11 1 1 A 71 71 LEU HA H 71 4.752 4.527 0.225 1
1 831 . 11 1 1 A 71 71 LEU CB C 71 43.898 43.013 0.885 1
1 843 . 11 1 1 A 71 71 LEU C C 71 176.498 175.284 1.214 1
1 845 . 11 1 1 A 72 72 GLN N N 72 121.553 127.333 -5.780 1
1 846 . 11 1 1 A 72 72 GLN H H 72 8.100 7.920 0.180 1
1 847 . 11 1 1 A 72 72 GLN CA C 72 54.209 54.423 -0.214 1
1 848 . 11 1 1 A 72 72 GLN HA H 72 4.589 4.554 0.035 1
1 849 . 11 1 1 A 72 72 GLN CB C 72 31.142 30.512 0.630 1
1 856 . 11 1 1 A 72 72 GLN C C 72 174.254 175.422 -1.168 1
1 859 . 11 1 1 A 73 73 ALA N N 73 124.262 128.121 -3.859 1
1 860 . 11 1 1 A 73 73 ALA H H 73 8.452 8.381 0.071 1
1 861 . 11 1 1 A 73 73 ALA CA C 73 51.211 50.641 0.570 1
1 862 . 11 1 1 A 73 73 ALA HA H 73 4.500 4.205 0.295 1
1 863 . 11 1 1 A 73 73 ALA CB C 73 17.185 19.240 -2.055 1
1 867 . 11 1 1 A 73 73 ALA C C 73 176.548 175.842 0.706 1
1 868 . 11 1 1 A 74 74 PRO CA C 74 62.160 62.307 -0.147 1
1 869 . 11 1 1 A 74 74 PRO HA H 74 4.848 4.524 0.324 1
1 870 . 11 1 1 A 74 74 PRO CB C 74 32.897 33.233 -0.336 1
1 874 . 11 1 1 A 74 74 PRO C C 74 177.266 176.389 0.877 1
1 878 . 11 1 1 A 75 75 SER N N 75 115.398 115.663 -0.265 1
1 879 . 11 1 1 A 75 75 SER H H 75 9.293 8.754 0.539 1
1 880 . 11 1 1 A 75 75 SER CA C 75 61.024 58.904 2.120 1
1 881 . 11 1 1 A 75 75 SER HA H 75 4.154 4.496 -0.342 1
1 882 . 11 1 1 A 75 75 SER CB C 75 62.867 64.743 -1.876 1
1 884 . 11 1 1 A 75 75 SER C C 75 174.460 174.090 0.370 1
1 886 . 11 1 1 A 76 76 GLY N N 76 106.233 106.880 -0.647 1
1 887 . 11 1 1 A 76 76 GLY H H 76 7.208 7.299 -0.091 1
1 888 . 11 1 1 A 76 76 GLY CA C 76 44.930 45.574 -0.644 1
1 889 . 11 1 1 A 76 76 GLY HA3 H 76 4.306 4.002 0.304 1
1 890 . 11 1 1 A 76 76 GLY C C 76 171.327 172.136 -0.809 1
1 891 . 11 1 1 A 76 76 GLY HA2 H 76 4.095 3.998 0.097 1
1 892 . 11 1 1 A 77 77 ASN CA C 77 53.060 52.701 0.359 1
1 893 . 11 1 1 A 77 77 ASN HA H 77 5.001 4.989 0.012 1
1 894 . 11 1 1 A 77 77 ASN CB C 77 40.650 39.062 1.588 1
1 899 . 11 1 1 A 77 77 ASN C C 77 173.427 173.564 -0.137 1
1 901 . 11 1 1 A 78 78 THR N N 78 114.705 114.394 0.311 1
1 902 . 11 1 1 A 78 78 THR H H 78 7.579 7.480 0.099 1
1 903 . 11 1 1 A 78 78 THR CA C 78 59.766 61.081 -1.315 1
1 904 . 11 1 1 A 78 78 THR HA H 78 5.174 4.970 0.204 1
1 905 . 11 1 1 A 78 78 THR CB C 78 71.855 72.276 -0.421 1
1 911 . 11 1 1 A 78 78 THR C C 78 173.138 173.235 -0.097 1
1 912 . 11 1 1 A 79 79 VAL N N 79 123.606 125.792 -2.186 1
1 913 . 11 1 1 A 79 79 VAL H H 79 8.696 9.034 -0.338 1
1 914 . 11 1 1 A 79 79 VAL CA C 79 58.982 58.736 0.246 1
1 915 . 11 1 1 A 79 79 VAL HA H 79 4.495 4.483 0.012 1
1 916 . 11 1 1 A 79 79 VAL CB C 79 32.717 35.500 -2.783 1
1 926 . 11 1 1 A 79 79 VAL C C 79 174.289 173.888 0.401 1
1 927 . 11 1 1 A 80 80 PRO CA C 80 63.184 62.801 0.383 1
1 928 . 11 1 1 A 80 80 PRO HA H 80 4.160 4.611 -0.451 1
1 929 . 11 1 1 A 80 80 PRO CB C 80 33.128 32.825 0.303 1
1 935 . 11 1 1 A 80 80 PRO C C 80 174.009 177.312 -3.303 1
1 939 . 11 1 1 A 81 81 ALA N N 81 120.000 126.387 -6.387 1
1 940 . 11 1 1 A 81 81 ALA H H 81 8.371 8.573 -0.202 1
1 941 . 11 1 1 A 81 81 ALA CA C 81 51.951 53.758 -1.807 1
1 942 . 11 1 1 A 81 81 ALA HA H 81 3.715 4.047 -0.332 1
1 943 . 11 1 1 A 81 81 ALA CB C 81 20.029 18.672 1.357 1
1 947 . 11 1 1 A 81 81 ALA C C 81 176.740 177.654 -0.914 1
1 948 . 11 1 1 A 82 82 ARG N N 82 111.901 117.027 -5.126 1
1 949 . 11 1 1 A 82 82 ARG H H 82 8.724 7.782 0.942 1
1 950 . 11 1 1 A 82 82 ARG CA C 82 57.062 55.178 1.884 1
1 951 . 11 1 1 A 82 82 ARG HA H 82 3.665 4.567 -0.902 1
1 952 . 11 1 1 A 82 82 ARG CB C 82 26.959 31.001 -4.042 1
1 958 . 11 1 1 A 82 82 ARG C C 82 176.777 176.583 0.194 1
1 962 . 11 1 1 A 83 83 GLY N N 83 107.610 107.858 -0.248 1
1 963 . 11 1 1 A 83 83 GLY H H 83 9.251 7.892 1.359 1
1 964 . 11 1 1 A 83 83 GLY CA C 83 46.389 45.178 1.211 1
1 965 . 11 1 1 A 83 83 GLY HA3 H 83 3.731 4.039 -0.308 1
1 966 . 11 1 1 A 83 83 GLY C C 83 176.193 175.400 0.793 1
1 967 . 11 1 1 A 83 83 GLY HA2 H 83 3.352 3.870 -0.518 1
1 968 . 11 1 1 A 84 84 GLY N N 84 106.030 108.056 -2.026 1
1 969 . 11 1 1 A 84 84 GLY H H 84 7.015 8.587 -1.572 1
1 970 . 11 1 1 A 84 84 GLY CA C 84 45.272 47.458 -2.186 1
1 971 . 11 1 1 A 84 84 GLY HA3 H 84 3.537 3.798 -0.261 1
1 972 . 11 1 1 A 84 84 GLY C C 84 171.651 173.779 -2.128 1
1 973 . 11 1 1 A 84 84 GLY HA2 H 84 3.891 3.784 0.107 1
1 974 . 11 1 1 A 85 85 LEU N N 85 120.524 124.844 -4.320 1
1 975 . 11 1 1 A 85 85 LEU H H 85 7.903 8.406 -0.503 1
1 976 . 11 1 1 A 85 85 LEU CA C 85 53.494 51.379 2.115 1
1 977 . 11 1 1 A 85 85 LEU HA H 85 4.346 4.800 -0.454 1
1 978 . 11 1 1 A 85 85 LEU CB C 85 42.901 45.330 -2.429 1
1 990 . 11 1 1 A 85 85 LEU C C 85 174.362 174.701 -0.339 1
1 992 . 11 1 1 A 86 86 PRO CA C 86 62.752 62.144 0.608 1
1 993 . 11 1 1 A 86 86 PRO HA H 86 4.570 4.617 -0.047 1
1 994 . 11 1 1 A 86 86 PRO CB C 86 33.557 33.003 0.554 1
1 1000 . 11 1 1 A 86 86 PRO C C 86 178.338 175.293 3.045 1
1 1004 . 11 1 1 A 87 87 ILE N N 87 118.504 121.419 -2.915 1
1 1005 . 11 1 1 A 87 87 ILE H H 87 7.544 8.370 -0.826 1
1 1006 . 11 1 1 A 87 87 ILE CA C 87 60.571 60.465 0.106 1
1 1007 . 11 1 1 A 87 87 ILE HA H 87 4.021 4.674 -0.653 1
1 1008 . 11 1 1 A 87 87 ILE CB C 87 40.787 39.325 1.462 1
1 1020 . 11 1 1 A 87 87 ILE C C 87 175.620 175.694 -0.074 1
1 1022 . 11 1 1 A 88 88 THR N N 88 115.839 118.035 -2.196 1
1 1023 . 11 1 1 A 88 88 THR H H 88 8.788 9.045 -0.257 1
1 1024 . 11 1 1 A 88 88 THR CA C 88 58.935 59.803 -0.868 1
1 1025 . 11 1 1 A 88 88 THR HA H 88 5.678 5.820 -0.142 1
1 1026 . 11 1 1 A 88 88 THR CB C 88 72.532 71.525 1.007 1
1 1032 . 11 1 1 A 88 88 THR C C 88 174.318 173.373 0.945 1
1 1033 . 11 1 1 A 89 89 GLN N N 89 121.295 120.548 0.747 1
1 1034 . 11 1 1 A 89 89 GLN H H 89 8.399 8.968 -0.569 1
1 1035 . 11 1 1 A 89 89 GLN CA C 89 56.259 54.435 1.824 1
1 1036 . 11 1 1 A 89 89 GLN HA H 89 4.528 5.001 -0.473 1
1 1037 . 11 1 1 A 89 89 GLN CB C 89 30.760 32.504 -1.744 1
1 1044 . 11 1 1 A 89 89 GLN C C 89 172.439 174.015 -1.576 1
1 1047 . 11 1 1 A 90 90 LEU N N 90 129.715 123.864 5.851 1
1 1048 . 11 1 1 A 90 90 LEU H H 90 8.426 8.461 -0.035 1
1 1049 . 11 1 1 A 90 90 LEU CA C 90 54.513 53.090 1.423 1
1 1050 . 11 1 1 A 90 90 LEU HA H 90 5.103 5.256 -0.153 1
1 1051 . 11 1 1 A 90 90 LEU CB C 90 44.412 45.218 -0.806 1
1 1063 . 11 1 1 A 90 90 LEU C C 90 175.027 173.943 1.084 1
1 1065 . 11 1 1 A 91 91 PHE N N 91 123.227 124.195 -0.968 1
1 1066 . 11 1 1 A 91 91 PHE H H 91 9.647 8.761 0.886 1
1 1067 . 11 1 1 A 91 91 PHE CA C 91 55.327 56.377 -1.050 1
1 1068 . 11 1 1 A 91 91 PHE HA H 91 5.064 5.348 -0.284 1
1 1069 . 11 1 1 A 91 91 PHE CB C 91 40.899 41.689 -0.790 1
1 1081 . 11 1 1 A 91 91 PHE C C 91 174.296 174.754 -0.458 1
1 1083 . 11 1 1 A 92 92 ARG N N 92 121.174 124.189 -3.015 1
1 1084 . 11 1 1 A 92 92 ARG H H 92 8.726 8.492 0.234 1
1 1085 . 11 1 1 A 92 92 ARG CA C 92 55.046 55.957 -0.911 1
1 1086 . 11 1 1 A 92 92 ARG HA H 92 5.109 4.770 0.339 1
1 1087 . 11 1 1 A 92 92 ARG CB C 92 32.524 30.955 1.569 1
1 1093 . 11 1 1 A 92 92 ARG C C 92 175.154 175.023 0.131 1
1 1097 . 11 1 1 A 93 93 ILE N N 93 126.629 125.247 1.382 1
1 1098 . 11 1 1 A 93 93 ILE H H 93 9.599 8.775 0.824 1
1 1099 . 11 1 1 A 93 93 ILE CA C 93 59.538 59.819 -0.281 1
1 1100 . 11 1 1 A 93 93 ILE HA H 93 5.206 5.221 -0.015 1
1 1101 . 11 1 1 A 93 93 ILE CB C 93 40.963 41.236 -0.273 1
1 1113 . 11 1 1 A 93 93 ILE C C 93 174.400 174.676 -0.276 1
1 1115 . 11 1 1 A 94 94 LEU N N 94 127.940 126.842 1.098 1
1 1116 . 11 1 1 A 94 94 LEU H H 94 8.853 8.910 -0.057 1
1 1117 . 11 1 1 A 94 94 LEU CA C 94 53.673 53.365 0.308 1
1 1118 . 11 1 1 A 94 94 LEU HA H 94 5.152 5.197 -0.045 1
1 1119 . 11 1 1 A 94 94 LEU CB C 94 44.245 43.789 0.456 1
1 1131 . 11 1 1 A 94 94 LEU C C 94 176.106 176.039 0.067 1
1 1133 . 11 1 1 A 95 95 ASN N N 95 119.567 122.413 -2.846 1
1 1134 . 11 1 1 A 95 95 ASN H H 95 9.271 8.829 0.442 1
1 1135 . 11 1 1 A 95 95 ASN CA C 95 49.634 50.788 -1.154 1
1 1136 . 11 1 1 A 95 95 ASN HA H 95 5.361 5.258 0.103 1
1 1137 . 11 1 1 A 95 95 ASN CB C 95 39.189 39.151 0.038 1
1 1142 . 11 1 1 A 95 95 ASN C C 95 173.779 173.818 -0.039 1
1 1144 . 11 1 1 A 96 96 PRO CA C 96 64.795 64.424 0.371 1
1 1145 . 11 1 1 A 96 96 PRO HA H 96 4.306 4.480 -0.174 1
1 1146 . 11 1 1 A 96 96 PRO CB C 96 32.010 31.918 0.092 1
1 1152 . 11 1 1 A 96 96 PRO C C 96 177.656 177.663 -0.007 1
1 1156 . 11 1 1 A 97 97 ASN N N 97 114.343 114.653 -0.310 1
1 1157 . 11 1 1 A 97 97 ASN H H 97 8.840 7.850 0.990 1
1 1158 . 11 1 1 A 97 97 ASN CA C 97 52.889 52.703 0.186 1
1 1159 . 11 1 1 A 97 97 ASN HA H 97 4.828 4.821 0.007 1
1 1160 . 11 1 1 A 97 97 ASN CB C 97 38.085 38.666 -0.581 1
1 1165 . 11 1 1 A 97 97 ASN C C 97 174.361 174.387 -0.026 1
1 1167 . 11 1 1 A 98 98 LYS N N 98 118.175 115.817 2.358 1
1 1168 . 11 1 1 A 98 98 LYS H H 98 7.735 7.515 0.220 1
1 1169 . 11 1 1 A 98 98 LYS CA C 98 57.625 57.205 0.420 1
1 1170 . 11 1 1 A 98 98 LYS HA H 98 3.780 3.887 -0.107 1
1 1171 . 11 1 1 A 98 98 LYS CB C 98 29.343 29.516 -0.173 1
1 1179 . 11 1 1 A 98 98 LYS C C 98 174.779 174.776 0.003 1
1 1184 . 11 1 1 A 99 99 ALA N N 99 122.321 121.358 0.963 1
1 1185 . 11 1 1 A 99 99 ALA H H 99 8.454 7.859 0.595 1
1 1186 . 11 1 1 A 99 99 ALA CA C 99 49.893 48.870 1.023 1
1 1187 . 11 1 1 A 99 99 ALA HA H 99 4.415 4.701 -0.286 1
1 1188 . 11 1 1 A 99 99 ALA CB C 99 18.125 20.346 -2.221 1
1 1192 . 11 1 1 A 99 99 ALA C C 99 175.018 176.224 -1.206 1
1 1193 . 11 1 1 A 100 100 PRO CA C 100 62.082 62.129 -0.047 1
1 1194 . 11 1 1 A 100 100 PRO CB C 100 31.068 28.980 2.088 1
1 1203 . 11 1 1 A 101 101 LEU H H 101 5.223 8.268 -3.045 1
1 1204 . 11 1 1 A 101 101 LEU CA C 101 55.181 53.841 1.340 1
1 1205 . 11 1 1 A 101 101 LEU HA H 101 3.758 4.666 -0.908 1
1 1206 . 11 1 1 A 101 101 LEU CB C 101 43.103 42.393 0.710 1
1 1218 . 11 1 1 A 101 101 LEU C C 101 174.350 176.642 -2.292 1
1 1220 . 11 1 1 A 102 102 ARG N N 102 122.304 118.317 3.987 1
1 1221 . 11 1 1 A 102 102 ARG H H 102 6.412 8.657 -2.245 1
1 1222 . 11 1 1 A 102 102 ARG CA C 102 54.659 54.512 0.147 1
1 1223 . 11 1 1 A 102 102 ARG HA H 102 4.500 5.101 -0.601 1
1 1224 . 11 1 1 A 102 102 ARG CB C 102 33.168 32.868 0.300 1
1 1230 . 11 1 1 A 102 102 ARG C C 102 173.625 174.326 -0.701 1
1 1234 . 11 1 1 A 103 103 LEU N N 103 119.849 122.026 -2.177 1
1 1235 . 11 1 1 A 103 103 LEU H H 103 8.301 8.255 0.046 1
1 1236 . 11 1 1 A 103 103 LEU CA C 103 53.667 53.585 0.082 1
1 1237 . 11 1 1 A 103 103 LEU HA H 103 4.886 5.114 -0.228 1
1 1238 . 11 1 1 A 103 103 LEU CB C 103 47.097 46.830 0.267 1
1 1250 . 11 1 1 A 103 103 LEU C C 103 173.874 173.676 0.198 1
1 1252 . 11 1 1 A 104 104 LYS N N 104 126.165 126.171 -0.006 1
1 1253 . 11 1 1 A 104 104 LYS H H 104 8.516 8.834 -0.318 1
1 1254 . 11 1 1 A 104 104 LYS CA C 104 55.117 54.677 0.440 1
1 1255 . 11 1 1 A 104 104 LYS HA H 104 4.773 5.273 -0.500 1
1 1256 . 11 1 1 A 104 104 LYS CB C 104 34.581 35.134 -0.553 1
1 1264 . 11 1 1 A 104 104 LYS C C 104 174.980 174.986 -0.006 1
1 1269 . 11 1 1 A 105 105 LEU N N 105 125.172 126.684 -1.512 1
1 1270 . 11 1 1 A 105 105 LEU H H 105 8.586 8.883 -0.297 1
1 1271 . 11 1 1 A 105 105 LEU CA C 105 53.059 53.520 -0.461 1
1 1272 . 11 1 1 A 105 105 LEU HA H 105 4.923 4.941 -0.018 1
1 1273 . 11 1 1 A 105 105 LEU CB C 105 44.358 44.408 -0.050 1
1 1285 . 11 1 1 A 105 105 LEU C C 105 174.037 174.841 -0.804 1
1 1287 . 11 1 1 A 106 106 ARG N N 106 119.880 126.597 -6.717 1
1 1288 . 11 1 1 A 106 106 ARG H H 106 8.363 9.234 -0.871 1
1 1289 . 11 1 1 A 106 106 ARG CA C 106 54.374 54.266 0.108 1
1 1290 . 11 1 1 A 106 106 ARG HA H 106 4.926 4.784 0.142 1
1 1291 . 11 1 1 A 106 106 ARG CB C 106 32.783 33.568 -0.785 1
1 1297 . 11 1 1 A 106 106 ARG C C 106 174.611 174.419 0.192 1
1 1301 . 11 1 1 A 107 107 LEU N N 107 128.498 126.435 2.063 1
1 1302 . 11 1 1 A 107 107 LEU H H 107 9.260 8.737 0.523 1
1 1303 . 11 1 1 A 107 107 LEU CA C 107 52.942 53.639 -0.697 1
1 1304 . 11 1 1 A 107 107 LEU HA H 107 5.110 5.337 -0.227 1
1 1305 . 11 1 1 A 107 107 LEU CB C 107 45.279 45.152 0.127 1
1 1317 . 11 1 1 A 107 107 LEU C C 107 175.494 175.647 -0.153 1
1 1319 . 11 1 1 A 108 108 THR N N 108 114.947 115.934 -0.987 1
1 1320 . 11 1 1 A 108 108 THR H H 108 8.424 8.854 -0.430 1
1 1321 . 11 1 1 A 108 108 THR CA C 108 59.201 60.724 -1.523 1
1 1322 . 11 1 1 A 108 108 THR HA H 108 5.344 5.280 0.064 1
1 1323 . 11 1 1 A 108 108 THR CB C 108 71.413 70.891 0.522 1
1 1329 . 11 1 1 A 108 108 THR C C 108 172.424 173.147 -0.723 1
1 1330 . 11 1 1 A 109 109 TYR N N 109 114.691 120.322 -5.631 1
1 1331 . 11 1 1 A 109 109 TYR H H 109 8.056 8.406 -0.350 1
1 1332 . 11 1 1 A 109 109 TYR CA C 109 57.133 55.873 1.260 1
1 1333 . 11 1 1 A 109 109 TYR HA H 109 4.769 5.337 -0.568 1
1 1334 . 11 1 1 A 109 109 TYR CB C 109 38.008 40.777 -2.769 1
1 1344 . 11 1 1 A 109 109 TYR C C 109 171.790 172.069 -0.279 1
1 1346 . 11 1 1 A 110 110 ASP N N 110 119.179 119.863 -0.684 1
1 1347 . 11 1 1 A 110 110 ASP H H 110 9.332 8.965 0.367 1
1 1348 . 11 1 1 A 110 110 ASP CA C 110 53.147 52.965 0.182 1
1 1349 . 11 1 1 A 110 110 ASP HA H 110 5.855 5.855 0.000 1
1 1350 . 11 1 1 A 110 110 ASP CB C 110 42.179 43.829 -1.650 1
1 1352 . 11 1 1 A 110 110 ASP C C 110 176.257 175.004 1.253 1
1 1354 . 11 1 1 A 111 111 HIS N N 111 122.092 123.205 -1.113 1
1 1355 . 11 1 1 A 111 111 HIS H H 111 8.993 9.482 -0.489 1
1 1356 . 11 1 1 A 111 111 HIS CA C 111 55.365 55.614 -0.249 1
1 1357 . 11 1 1 A 111 111 HIS HA H 111 4.768 5.046 -0.278 1
1 1358 . 11 1 1 A 111 111 HIS CB C 111 36.414 33.266 3.148 1
1 1364 . 11 1 1 A 111 111 HIS C C 111 175.420 174.532 0.888 1
1 1366 . 11 1 1 A 112 112 PHE N N 112 129.361 125.319 4.042 1
1 1367 . 11 1 1 A 112 112 PHE H H 112 10.128 9.427 0.701 1
1 1368 . 11 1 1 A 112 112 PHE CA C 112 59.353 58.837 0.516 1
1 1369 . 11 1 1 A 112 112 PHE HA H 112 3.972 3.968 0.004 1
1 1370 . 11 1 1 A 112 112 PHE CB C 112 36.136 36.718 -0.582 1
1 1382 . 11 1 1 A 112 112 PHE C C 112 175.288 175.075 0.213 1
1 1384 . 11 1 1 A 113 113 HIS N N 113 109.753 109.099 0.654 1
1 1385 . 11 1 1 A 113 113 HIS H H 113 8.856 8.243 0.613 1
1 1386 . 11 1 1 A 113 113 HIS CA C 113 57.593 56.871 0.722 1
1 1387 . 11 1 1 A 113 113 HIS HA H 113 4.168 4.190 -0.022 1
1 1388 . 11 1 1 A 113 113 HIS CB C 113 27.575 26.970 0.605 1
1 1394 . 11 1 1 A 113 113 HIS C C 113 174.146 173.802 0.344 1
1 1396 . 11 1 1 A 114 114 GLN N N 114 118.510 116.875 1.635 1
1 1397 . 11 1 1 A 114 114 GLN H H 114 7.930 7.597 0.333 1
1 1398 . 11 1 1 A 114 114 GLN CA C 114 54.303 54.341 -0.038 1
1 1399 . 11 1 1 A 114 114 GLN HA H 114 4.674 4.859 -0.185 1
1 1400 . 11 1 1 A 114 114 GLN CB C 114 31.548 32.528 -0.980 1
1 1407 . 11 1 1 A 114 114 GLN C C 114 174.702 174.753 -0.051 1
1 1410 . 11 1 1 A 115 115 SER N N 115 118.183 120.243 -2.060 1
1 1411 . 11 1 1 A 115 115 SER H H 115 8.528 8.823 -0.295 1
1 1412 . 11 1 1 A 115 115 SER CA C 115 57.665 58.499 -0.834 1
1 1413 . 11 1 1 A 115 115 SER HA H 115 5.112 4.871 0.241 1
1 1414 . 11 1 1 A 115 115 SER CB C 115 63.266 63.791 -0.525 1
1 1416 . 11 1 1 A 115 115 SER C C 115 174.157 173.754 0.403 1
1 1418 . 11 1 1 A 116 116 VAL N N 116 130.788 127.238 3.550 1
1 1419 . 11 1 1 A 116 116 VAL H H 116 9.445 9.003 0.442 1
1 1420 . 11 1 1 A 116 116 VAL CA C 116 62.375 61.252 1.123 1
1 1421 . 11 1 1 A 116 116 VAL HA H 116 3.870 4.472 -0.602 1
1 1422 . 11 1 1 A 116 116 VAL CB C 116 32.564 32.369 0.195 1
1 1432 . 11 1 1 A 116 116 VAL C C 116 175.674 173.831 1.843 1
1 1433 . 11 1 1 A 117 117 GLN N N 117 127.278 129.578 -2.300 1
1 1434 . 11 1 1 A 117 117 GLN H H 117 8.612 9.055 -0.443 1
1 1435 . 11 1 1 A 117 117 GLN CA C 117 55.004 54.180 0.824 1
1 1436 . 11 1 1 A 117 117 GLN HA H 117 5.170 5.096 0.074 1
1 1437 . 11 1 1 A 117 117 GLN CB C 117 31.166 31.097 0.069 1
1 1444 . 11 1 1 A 117 117 GLN C C 117 174.229 174.462 -0.233 1
1 1447 . 11 1 1 A 118 118 GLU N N 118 125.633 125.706 -0.073 1
1 1448 . 11 1 1 A 118 118 GLU H H 118 8.960 8.687 0.273 1
1 1449 . 11 1 1 A 118 118 GLU CA C 118 54.799 55.011 -0.212 1
1 1450 . 11 1 1 A 118 118 GLU HA H 118 4.869 5.107 -0.238 1
1 1451 . 11 1 1 A 118 118 GLU CB C 118 33.675 32.674 1.001 1
1 1455 . 11 1 1 A 118 118 GLU C C 118 174.340 175.332 -0.992 1
1 1458 . 11 1 1 A 119 119 ILE N N 119 123.525 124.357 -0.832 1
1 1459 . 11 1 1 A 119 119 ILE H H 119 8.683 8.960 -0.277 1
1 1460 . 11 1 1 A 119 119 ILE CA C 119 60.005 60.330 -0.325 1
1 1461 . 11 1 1 A 119 119 ILE HA H 119 5.157 4.526 0.631 1
1 1462 . 11 1 1 A 119 119 ILE CB C 119 40.761 39.548 1.213 1
1 1474 . 11 1 1 A 119 119 ILE C C 119 175.386 175.171 0.215 1
1 1476 . 11 1 1 A 120 120 PHE N N 120 122.954 124.019 -1.065 1
1 1477 . 11 1 1 A 120 120 PHE H H 120 8.647 8.360 0.287 1
1 1478 . 11 1 1 A 120 120 PHE CA C 120 55.754 54.911 0.843 1
1 1479 . 11 1 1 A 120 120 PHE HA H 120 5.064 5.713 -0.649 1
1 1480 . 11 1 1 A 120 120 PHE CB C 120 39.904 42.631 -2.727 1
1 1492 . 11 1 1 A 120 120 PHE C C 120 172.536 173.118 -0.582 1
1 1494 . 11 1 1 A 121 121 GLU N N 121 120.205 119.747 0.458 1
1 1495 . 11 1 1 A 121 121 GLU H H 121 8.807 8.775 0.032 1
1 1496 . 11 1 1 A 121 121 GLU CA C 121 54.976 55.047 -0.071 1
1 1497 . 11 1 1 A 121 121 GLU HA H 121 4.795 5.039 -0.244 1
1 1498 . 11 1 1 A 121 121 GLU CB C 121 31.537 33.017 -1.480 1
1 1502 . 11 1 1 A 121 121 GLU C C 121 175.979 175.762 0.217 1
1 1505 . 11 1 1 A 122 122 VAL N N 122 124.567 124.858 -0.291 1
1 1506 . 11 1 1 A 122 122 VAL H H 122 8.818 9.204 -0.386 1
1 1507 . 11 1 1 A 122 122 VAL CA C 122 62.536 63.636 -1.100 1
1 1508 . 11 1 1 A 122 122 VAL HA H 122 4.300 4.090 0.210 1
1 1509 . 11 1 1 A 122 122 VAL CB C 122 32.136 32.164 -0.028 1
1 1519 . 11 1 1 A 122 122 VAL C C 122 175.324 176.064 -0.740 1
1 1520 . 11 1 1 A 123 123 ASN N N 123 125.013 124.458 0.555 1
1 1521 . 11 1 1 A 123 123 ASN H H 123 8.770 8.915 -0.145 1
1 1522 . 11 1 1 A 123 123 ASN CA C 123 52.889 53.051 -0.162 1
1 1523 . 11 1 1 A 123 123 ASN HA H 123 5.072 5.090 -0.018 1
1 1524 . 11 1 1 A 123 123 ASN CB C 123 40.114 39.759 0.355 1
1 1529 . 11 1 1 A 123 123 ASN C C 123 174.799 175.278 -0.479 1
1 1531 . 11 1 1 A 124 124 ASN N N 124 117.247 117.917 -0.670 1
1 1532 . 11 1 1 A 124 124 ASN H H 124 8.599 8.095 0.504 1
1 1533 . 11 1 1 A 124 124 ASN CA C 124 52.853 52.371 0.482 1
1 1534 . 11 1 1 A 124 124 ASN HA H 124 4.721 4.919 -0.198 1
1 1535 . 11 1 1 A 124 124 ASN CB C 124 36.882 38.856 -1.974 1
1 1540 . 11 1 1 A 124 124 ASN C C 124 174.437 175.477 -1.040 1
1 1542 . 11 1 1 A 125 125 LEU N N 125 119.273 121.927 -2.654 1
1 1543 . 11 1 1 A 125 125 LEU H H 125 8.105 7.325 0.780 1
1 1544 . 11 1 1 A 125 125 LEU CA C 125 53.787 53.525 0.262 1
1 1545 . 11 1 1 A 125 125 LEU HA H 125 4.187 4.350 -0.163 1
1 1546 . 11 1 1 A 125 125 LEU CB C 125 40.398 40.977 -0.579 1
1 1558 . 11 1 1 A 125 125 LEU C C 125 175.528 174.626 0.902 1
1 1560 . 11 1 1 A 126 126 PRO CA C 126 62.439 62.431 0.008 1
1 1561 . 11 1 1 A 126 126 PRO HA H 126 4.519 4.528 -0.009 1
1 1562 . 11 1 1 A 126 126 PRO CB C 126 31.210 32.823 -1.613 1
1 1568 . 11 1 1 A 126 126 PRO C C 126 179.073 175.897 3.176 1
1 1572 . 11 1 1 A 127 127 VAL N N 127 124.759 118.389 6.370 1
1 1573 . 11 1 1 A 127 127 VAL H H 127 8.794 8.056 0.738 1
1 1574 . 11 1 1 A 127 127 VAL CA C 127 64.360 61.960 2.400 1
1 1575 . 11 1 1 A 127 127 VAL HA H 127 3.216 3.933 -0.717 1
1 1576 . 11 1 1 A 127 127 VAL CB C 127 30.825 31.977 -1.152 1
1 1586 . 11 1 1 A 127 127 VAL C C 127 176.789 176.538 0.251 1
1 1587 . 11 1 1 A 128 128 GLU N N 128 119.892 122.431 -2.539 1
1 1588 . 11 1 1 A 128 128 GLU H H 128 9.460 7.975 1.485 1
1 1589 . 11 1 1 A 128 128 GLU CA C 128 59.216 58.639 0.577 1
1 1590 . 11 1 1 A 128 128 GLU HA H 128 3.831 3.943 -0.112 1
1 1591 . 11 1 1 A 128 128 GLU CB C 128 29.188 28.888 0.300 1
1 1595 . 11 1 1 A 128 128 GLU C C 128 177.624 179.016 -1.392 1
1 1598 . 11 1 1 A 129 129 SER N N 129 112.727 114.153 -1.426 1
1 1599 . 11 1 1 A 129 129 SER H H 129 8.057 7.821 0.236 1
1 1600 . 11 1 1 A 129 129 SER CA C 129 61.024 61.168 -0.144 1
1 1601 . 11 1 1 A 129 129 SER HA H 129 3.925 4.162 -0.237 1
1 1602 . 11 1 1 A 129 129 SER CB C 129 64.440 62.345 2.095 1
1 1604 . 11 1 1 A 129 129 SER C C 129 173.147 175.728 -2.581 1
1 1606 . 11 1 1 A 130 130 TRP N N 130 117.092 118.409 -1.317 1
1 1607 . 11 1 1 A 130 130 TRP H H 130 7.184 6.863 0.321 1
1 1608 . 11 1 1 A 130 130 TRP CA C 130 57.027 58.462 -1.435 1
1 1609 . 11 1 1 A 130 130 TRP HA H 130 4.974 4.835 0.139 1
1 1610 . 11 1 1 A 130 130 TRP CB C 130 31.384 30.832 0.552 1
1 1624 . 11 1 1 A 130 130 TRP C C 130 174.759 177.130 -2.371 1
1 1 . 12 1 1 A 6 6 SER CA C 6 58.371 60.187 -1.816 1
1 2 . 12 1 1 A 6 6 SER HA H 6 4.533 4.423 0.110 1
1 3 . 12 1 1 A 6 6 SER CB C 6 63.994 63.152 0.842 1
1 5 . 12 1 1 A 6 6 SER C C 6 174.472 174.823 -0.351 1
1 7 . 12 1 1 A 7 7 GLY N N 7 110.741 113.949 -3.208 1
1 8 . 12 1 1 A 7 7 GLY H H 7 8.209 8.694 -0.485 1
1 9 . 12 1 1 A 7 7 GLY CA C 7 44.501 44.043 0.458 1
1 10 . 12 1 1 A 7 7 GLY HA3 H 7 4.059 4.080 -0.021 1
1 11 . 12 1 1 A 7 7 GLY C C 7 171.084 172.819 -1.735 1
1 12 . 12 1 1 A 7 7 GLY HA2 H 7 4.155 4.079 0.076 1
1 13 . 12 1 1 A 8 8 PRO CA C 8 61.515 62.156 -0.641 1
1 14 . 12 1 1 A 8 8 PRO HA H 8 4.713 4.602 0.111 1
1 15 . 12 1 1 A 8 8 PRO CB C 8 30.760 31.629 -0.869 1
1 24 . 12 1 1 A 9 9 PRO HA H 9 4.724 4.667 0.057 1
1 30 . 12 1 1 A 10 10 PRO CA C 10 62.761 62.489 0.272 1
1 31 . 12 1 1 A 10 10 PRO HA H 10 4.389 4.646 -0.257 1
1 32 . 12 1 1 A 10 10 PRO CB C 10 32.082 33.077 -0.995 1
1 37 . 12 1 1 A 10 10 PRO C C 10 176.236 175.334 0.902 1
1 41 . 12 1 1 A 11 11 ALA N N 11 125.926 121.405 4.521 1
1 42 . 12 1 1 A 11 11 ALA H H 11 8.352 8.230 0.122 1
1 43 . 12 1 1 A 11 11 ALA CA C 11 50.343 49.310 1.033 1
1 44 . 12 1 1 A 11 11 ALA HA H 11 4.583 4.806 -0.223 1
1 45 . 12 1 1 A 11 11 ALA CB C 11 18.255 20.272 -2.017 1
1 49 . 12 1 1 A 11 11 ALA C C 11 175.479 175.191 0.288 1
1 50 . 12 1 1 A 12 12 PRO CA C 12 62.757 62.215 0.542 1
1 51 . 12 1 1 A 12 12 PRO HA H 12 4.386 4.617 -0.231 1
1 52 . 12 1 1 A 12 12 PRO CB C 12 32.104 33.232 -1.128 1
1 57 . 12 1 1 A 12 12 PRO C C 12 176.478 175.290 1.188 1
1 61 . 12 1 1 A 13 13 ILE N N 13 124.607 121.279 3.328 1
1 62 . 12 1 1 A 13 13 ILE H H 13 8.661 8.457 0.204 1
1 63 . 12 1 1 A 13 13 ILE CA C 13 59.081 58.185 0.896 1
1 64 . 12 1 1 A 13 13 ILE HA H 13 4.288 4.511 -0.223 1
1 65 . 12 1 1 A 13 13 ILE CB C 13 39.710 38.785 0.925 1
1 77 . 12 1 1 A 13 13 ILE C C 13 174.727 174.638 0.089 1
1 79 . 12 1 1 A 14 14 PRO CA C 14 63.433 62.421 1.012 1
1 80 . 12 1 1 A 14 14 PRO HA H 14 4.457 4.524 -0.067 1
1 81 . 12 1 1 A 14 14 PRO CB C 14 32.428 32.281 0.147 1
1 86 . 12 1 1 A 14 14 PRO C C 14 175.380 176.469 -1.089 1
1 90 . 12 1 1 A 15 15 ASP N N 15 118.741 121.621 -2.880 1
1 91 . 12 1 1 A 15 15 ASP H H 15 8.042 8.429 -0.387 1
1 92 . 12 1 1 A 15 15 ASP CA C 15 54.213 55.038 -0.825 1
1 93 . 12 1 1 A 15 15 ASP HA H 15 5.064 4.881 0.183 1
1 94 . 12 1 1 A 15 15 ASP CB C 15 41.793 41.414 0.379 1
1 96 . 12 1 1 A 15 15 ASP C C 15 176.413 175.784 0.629 1
1 98 . 12 1 1 A 16 16 LEU N N 16 121.451 123.348 -1.897 1
1 99 . 12 1 1 A 16 16 LEU H H 16 9.016 8.565 0.451 1
1 100 . 12 1 1 A 16 16 LEU CA C 16 53.914 54.128 -0.214 1
1 101 . 12 1 1 A 16 16 LEU HA H 16 4.847 4.936 -0.089 1
1 102 . 12 1 1 A 16 16 LEU CB C 16 48.283 45.947 2.336 1
1 114 . 12 1 1 A 16 16 LEU C C 16 174.915 174.241 0.674 1
1 116 . 12 1 1 A 17 17 LYS N N 17 130.346 127.706 2.640 1
1 117 . 12 1 1 A 17 17 LYS H H 17 8.937 8.838 0.099 1
1 118 . 12 1 1 A 17 17 LYS CA C 17 57.027 56.953 0.074 1
1 119 . 12 1 1 A 17 17 LYS HA H 17 4.821 4.416 0.405 1
1 120 . 12 1 1 A 17 17 LYS CB C 17 31.991 32.913 -0.922 1
1 128 . 12 1 1 A 17 17 LYS C C 17 177.744 176.307 1.437 1
1 133 . 12 1 1 A 18 18 VAL N N 18 116.605 121.568 -4.963 1
1 134 . 12 1 1 A 18 18 VAL H H 18 8.228 8.882 -0.654 1
1 135 . 12 1 1 A 18 18 VAL CA C 18 60.586 61.844 -1.258 1
1 136 . 12 1 1 A 18 18 VAL HA H 18 4.807 4.315 0.492 1
1 137 . 12 1 1 A 18 18 VAL CB C 18 33.601 33.763 -0.162 1
1 147 . 12 1 1 A 18 18 VAL C C 18 174.118 175.573 -1.455 1
1 148 . 12 1 1 A 19 19 PHE N N 19 120.586 121.387 -0.801 1
1 149 . 12 1 1 A 19 19 PHE H H 19 7.429 7.583 -0.154 1
1 150 . 12 1 1 A 19 19 PHE CA C 19 57.947 57.246 0.701 1
1 151 . 12 1 1 A 19 19 PHE HA H 19 4.544 4.581 -0.037 1
1 152 . 12 1 1 A 19 19 PHE CB C 19 43.455 42.469 0.986 1
1 162 . 12 1 1 A 19 19 PHE C C 19 172.947 172.860 0.087 1
1 164 . 12 1 1 A 20 20 GLU N N 20 126.790 126.544 0.246 1
1 165 . 12 1 1 A 20 20 GLU H H 20 7.620 8.529 -0.909 1
1 166 . 12 1 1 A 20 20 GLU CA C 20 55.117 54.802 0.315 1
1 167 . 12 1 1 A 20 20 GLU HA H 20 5.059 4.843 0.216 1
1 168 . 12 1 1 A 20 20 GLU CB C 20 32.091 32.629 -0.538 1
1 172 . 12 1 1 A 20 20 GLU C C 20 174.073 173.923 0.150 1
1 175 . 12 1 1 A 21 21 ARG N N 21 125.153 128.015 -2.862 1
1 176 . 12 1 1 A 21 21 ARG H H 21 8.806 9.102 -0.296 1
1 177 . 12 1 1 A 21 21 ARG CA C 21 56.532 53.597 2.935 1
1 178 . 12 1 1 A 21 21 ARG HA H 21 4.234 4.659 -0.425 1
1 179 . 12 1 1 A 21 21 ARG CB C 21 33.707 33.668 0.039 1
1 185 . 12 1 1 A 21 21 ARG C C 21 176.293 177.179 -0.886 1
1 189 . 12 1 1 A 22 22 GLU N N 22 132.286 123.759 8.527 1
1 190 . 12 1 1 A 22 22 GLU H H 22 9.887 9.092 0.795 1
1 191 . 12 1 1 A 22 22 GLU CA C 22 57.271 58.421 -1.150 1
1 192 . 12 1 1 A 22 22 GLU HA H 22 3.968 4.120 -0.152 1
1 193 . 12 1 1 A 22 22 GLU CB C 22 28.595 28.892 -0.297 1
1 197 . 12 1 1 A 22 22 GLU C C 22 175.219 176.766 -1.547 1
1 200 . 12 1 1 A 23 23 GLY N N 23 103.445 108.034 -4.589 1
1 201 . 12 1 1 A 23 23 GLY H H 23 8.570 7.989 0.581 1
1 202 . 12 1 1 A 23 23 GLY CA C 23 45.698 46.252 -0.554 1
1 203 . 12 1 1 A 23 23 GLY HA3 H 23 4.242 4.231 0.011 1
1 204 . 12 1 1 A 23 23 GLY C C 23 173.517 173.999 -0.482 1
1 205 . 12 1 1 A 23 23 GLY HA2 H 23 3.658 4.197 -0.539 1
1 206 . 12 1 1 A 24 24 VAL N N 24 124.489 118.958 5.531 1
1 207 . 12 1 1 A 24 24 VAL H H 24 8.016 7.714 0.302 1
1 208 . 12 1 1 A 24 24 VAL CA C 24 61.341 61.718 -0.377 1
1 209 . 12 1 1 A 24 24 VAL HA H 24 4.780 4.291 0.489 1
1 210 . 12 1 1 A 24 24 VAL CB C 24 32.051 33.103 -1.052 1
1 220 . 12 1 1 A 24 24 VAL C C 24 175.459 174.966 0.493 1
1 221 . 12 1 1 A 25 25 GLN N N 25 123.296 125.421 -2.125 1
1 222 . 12 1 1 A 25 25 GLN H H 25 8.446 8.799 -0.353 1
1 223 . 12 1 1 A 25 25 GLN CA C 25 53.879 54.246 -0.367 1
1 224 . 12 1 1 A 25 25 GLN HA H 25 5.378 5.098 0.280 1
1 225 . 12 1 1 A 25 25 GLN CB C 25 33.065 32.837 0.228 1
1 232 . 12 1 1 A 25 25 GLN C C 25 174.348 174.221 0.127 1
1 235 . 12 1 1 A 26 26 LEU N N 26 120.847 125.390 -4.543 1
1 236 . 12 1 1 A 26 26 LEU H H 26 8.579 9.372 -0.793 1
1 237 . 12 1 1 A 26 26 LEU CA C 26 53.914 53.618 0.296 1
1 238 . 12 1 1 A 26 26 LEU HA H 26 5.400 5.712 -0.312 1
1 239 . 12 1 1 A 26 26 LEU CB C 26 47.336 46.413 0.923 1
1 251 . 12 1 1 A 26 26 LEU C C 26 174.842 174.626 0.216 1
1 253 . 12 1 1 A 27 27 ASN N N 27 124.346 123.946 0.400 1
1 254 . 12 1 1 A 27 27 ASN H H 27 8.738 9.404 -0.666 1
1 255 . 12 1 1 A 27 27 ASN CA C 27 52.063 51.511 0.552 1
1 256 . 12 1 1 A 27 27 ASN HA H 27 5.542 5.485 0.057 1
1 257 . 12 1 1 A 27 27 ASN CB C 27 43.866 42.123 1.743 1
1 262 . 12 1 1 A 27 27 ASN C C 27 173.520 173.085 0.435 1
1 264 . 12 1 1 A 28 28 LEU N N 28 124.198 125.520 -1.322 1
1 265 . 12 1 1 A 28 28 LEU H H 28 9.406 8.808 0.598 1
1 266 . 12 1 1 A 28 28 LEU CA C 28 53.773 53.415 0.358 1
1 267 . 12 1 1 A 28 28 LEU HA H 28 4.995 5.167 -0.172 1
1 268 . 12 1 1 A 28 28 LEU CB C 28 44.307 45.144 -0.837 1
1 280 . 12 1 1 A 28 28 LEU C C 28 174.670 174.057 0.613 1
1 282 . 12 1 1 A 29 29 SER N N 29 115.017 122.063 -7.046 1
1 283 . 12 1 1 A 29 29 SER H H 29 8.314 8.446 -0.132 1
1 284 . 12 1 1 A 29 29 SER CA C 29 56.340 56.269 0.071 1
1 285 . 12 1 1 A 29 29 SER HA H 29 4.807 5.169 -0.362 1
1 286 . 12 1 1 A 29 29 SER CB C 29 65.926 65.120 0.806 1
1 288 . 12 1 1 A 29 29 SER C C 29 172.842 172.518 0.324 1
1 290 . 12 1 1 A 30 30 PHE N N 30 119.941 125.991 -6.050 1
1 291 . 12 1 1 A 30 30 PHE H H 30 9.366 9.075 0.291 1
1 292 . 12 1 1 A 30 30 PHE CA C 30 57.047 56.919 0.128 1
1 293 . 12 1 1 A 30 30 PHE HA H 30 5.374 5.155 0.219 1
1 294 . 12 1 1 A 30 30 PHE CB C 30 44.307 41.490 2.817 1
1 306 . 12 1 1 A 30 30 PHE C C 30 175.242 175.346 -0.104 1
1 308 . 12 1 1 A 31 31 ILE N N 31 122.161 120.758 1.403 1
1 309 . 12 1 1 A 31 31 ILE H H 31 8.950 8.861 0.089 1
1 310 . 12 1 1 A 31 31 ILE CA C 31 60.680 60.781 -0.101 1
1 311 . 12 1 1 A 31 31 ILE HA H 31 4.338 4.854 -0.516 1
1 312 . 12 1 1 A 31 31 ILE CB C 31 42.354 41.047 1.307 1
1 324 . 12 1 1 A 31 31 ILE C C 31 174.368 175.244 -0.876 1
1 326 . 12 1 1 A 32 32 ARG N N 32 128.976 127.491 1.485 1
1 327 . 12 1 1 A 32 32 ARG H H 32 8.773 8.958 -0.185 1
1 328 . 12 1 1 A 32 32 ARG CA C 32 51.444 52.797 -1.353 1
1 329 . 12 1 1 A 32 32 ARG HA H 32 5.263 4.920 0.343 1
1 330 . 12 1 1 A 32 32 ARG CB C 32 29.600 31.147 -1.547 1
1 338 . 12 1 1 A 32 32 ARG C C 32 173.585 173.864 -0.279 1
1 342 . 12 1 1 A 33 33 PRO CA C 33 60.759 61.856 -1.097 1
1 343 . 12 1 1 A 33 33 PRO HA H 33 4.581 4.716 -0.135 1
1 344 . 12 1 1 A 33 33 PRO CB C 33 32.219 32.500 -0.281 1
1 353 . 12 1 1 A 34 34 PRO CA C 34 64.464 65.217 -0.753 1
1 354 . 12 1 1 A 34 34 PRO HA H 34 4.236 4.227 0.009 1
1 355 . 12 1 1 A 34 34 PRO CB C 34 31.997 32.046 -0.049 1
1 361 . 12 1 1 A 34 34 PRO C C 34 178.240 178.549 -0.309 1
1 365 . 12 1 1 A 35 35 GLU N N 35 115.025 116.232 -1.207 1
1 366 . 12 1 1 A 35 35 GLU H H 35 9.287 8.875 0.412 1
1 367 . 12 1 1 A 35 35 GLU CA C 35 57.753 58.915 -1.162 1
1 368 . 12 1 1 A 35 35 GLU HA H 35 4.205 4.116 0.089 1
1 369 . 12 1 1 A 35 35 GLU CB C 35 28.595 28.877 -0.282 1
1 373 . 12 1 1 A 35 35 GLU C C 35 176.471 176.515 -0.044 1
1 376 . 12 1 1 A 36 36 ASN N N 36 114.302 118.531 -4.229 1
1 377 . 12 1 1 A 36 36 ASN H H 36 7.257 8.003 -0.746 1
1 378 . 12 1 1 A 36 36 ASN CA C 36 50.593 49.822 0.771 1
1 379 . 12 1 1 A 36 36 ASN HA H 36 5.024 5.067 -0.043 1
1 380 . 12 1 1 A 36 36 ASN CB C 36 39.094 39.551 -0.457 1
1 385 . 12 1 1 A 36 36 ASN C C 36 172.128 173.599 -1.471 1
1 387 . 12 1 1 A 37 37 PRO CA C 37 64.287 64.741 -0.454 1
1 388 . 12 1 1 A 37 37 PRO HA H 37 4.600 4.389 0.211 1
1 389 . 12 1 1 A 37 37 PRO CB C 37 32.235 31.962 0.273 1
1 394 . 12 1 1 A 37 37 PRO C C 37 176.707 177.740 -1.033 1
1 398 . 12 1 1 A 38 38 ALA N N 38 117.780 117.935 -0.155 1
1 399 . 12 1 1 A 38 38 ALA H H 38 7.596 7.988 -0.392 1
1 400 . 12 1 1 A 38 38 ALA CA C 38 52.674 52.993 -0.319 1
1 401 . 12 1 1 A 38 38 ALA HA H 38 4.262 4.374 -0.112 1
1 402 . 12 1 1 A 38 38 ALA CB C 38 19.201 19.351 -0.150 1
1 406 . 12 1 1 A 38 38 ALA C C 38 176.546 176.987 -0.441 1
1 407 . 12 1 1 A 39 39 LEU N N 39 122.870 121.256 1.614 1
1 408 . 12 1 1 A 39 39 LEU H H 39 7.963 7.173 0.790 1
1 409 . 12 1 1 A 39 39 LEU CA C 39 54.548 54.232 0.316 1
1 410 . 12 1 1 A 39 39 LEU HA H 39 4.953 4.850 0.103 1
1 411 . 12 1 1 A 39 39 LEU CB C 39 44.768 44.708 0.060 1
1 423 . 12 1 1 A 39 39 LEU C C 39 173.627 175.644 -2.017 1
1 425 . 12 1 1 A 40 40 LEU N N 40 125.985 127.586 -1.601 1
1 426 . 12 1 1 A 40 40 LEU H H 40 9.247 8.767 0.480 1
1 427 . 12 1 1 A 40 40 LEU CA C 40 53.914 53.873 0.041 1
1 428 . 12 1 1 A 40 40 LEU HA H 40 5.018 5.054 -0.036 1
1 429 . 12 1 1 A 40 40 LEU CB C 40 45.014 44.670 0.344 1
1 441 . 12 1 1 A 40 40 LEU C C 40 174.170 174.749 -0.579 1
1 443 . 12 1 1 A 41 41 LEU N N 41 125.906 129.004 -3.098 1
1 444 . 12 1 1 A 41 41 LEU H H 41 9.224 8.938 0.286 1
1 445 . 12 1 1 A 41 41 LEU CA C 41 53.190 54.005 -0.815 1
1 446 . 12 1 1 A 41 41 LEU HA H 41 5.222 4.986 0.236 1
1 447 . 12 1 1 A 41 41 LEU CB C 41 42.034 41.777 0.257 1
1 459 . 12 1 1 A 41 41 LEU C C 41 177.109 175.745 1.364 1
1 461 . 12 1 1 A 42 42 ILE N N 42 124.731 126.061 -1.330 1
1 462 . 12 1 1 A 42 42 ILE H H 42 9.087 8.880 0.207 1
1 463 . 12 1 1 A 42 42 ILE CA C 42 59.794 60.616 -0.822 1
1 464 . 12 1 1 A 42 42 ILE HA H 42 5.055 4.824 0.231 1
1 465 . 12 1 1 A 42 42 ILE CB C 42 41.019 38.804 2.215 1
1 477 . 12 1 1 A 42 42 ILE C C 42 175.074 175.190 -0.116 1
1 479 . 12 1 1 A 43 43 THR N N 43 123.315 124.566 -1.251 1
1 480 . 12 1 1 A 43 43 THR H H 43 8.589 9.348 -0.759 1
1 481 . 12 1 1 A 43 43 THR CA C 43 61.677 61.791 -0.114 1
1 482 . 12 1 1 A 43 43 THR HA H 43 5.023 4.933 0.090 1
1 483 . 12 1 1 A 43 43 THR CB C 43 69.838 69.535 0.303 1
1 489 . 12 1 1 A 43 43 THR C C 43 174.993 174.141 0.852 1
1 490 . 12 1 1 A 44 44 ILE N N 44 126.677 128.449 -1.772 1
1 491 . 12 1 1 A 44 44 ILE H H 44 9.329 8.755 0.574 1
1 492 . 12 1 1 A 44 44 ILE CA C 44 59.794 61.655 -1.861 1
1 493 . 12 1 1 A 44 44 ILE HA H 44 4.953 4.332 0.621 1
1 494 . 12 1 1 A 44 44 ILE CB C 44 38.754 38.479 0.275 1
1 506 . 12 1 1 A 44 44 ILE C C 44 174.670 175.291 -0.621 1
1 508 . 12 1 1 A 45 45 THR N N 45 120.442 121.044 -0.602 1
1 509 . 12 1 1 A 45 45 THR H H 45 8.740 8.688 0.052 1
1 510 . 12 1 1 A 45 45 THR CA C 45 61.579 61.593 -0.014 1
1 511 . 12 1 1 A 45 45 THR HA H 45 5.266 4.967 0.299 1
1 512 . 12 1 1 A 45 45 THR CB C 45 70.338 71.116 -0.778 1
1 518 . 12 1 1 A 45 45 THR C C 45 174.494 173.389 1.105 1
1 519 . 12 1 1 A 46 46 ALA N N 46 134.267 129.993 4.274 1
1 520 . 12 1 1 A 46 46 ALA H H 46 9.489 8.533 0.956 1
1 521 . 12 1 1 A 46 46 ALA CA C 46 49.846 50.145 -0.299 1
1 522 . 12 1 1 A 46 46 ALA HA H 46 5.554 5.366 0.188 1
1 523 . 12 1 1 A 46 46 ALA CB C 46 20.414 20.916 -0.502 1
1 527 . 12 1 1 A 46 46 ALA C C 46 174.819 176.254 -1.435 1
1 528 . 12 1 1 A 47 47 THR N N 47 111.611 115.736 -4.125 1
1 529 . 12 1 1 A 47 47 THR H H 47 8.431 8.844 -0.413 1
1 530 . 12 1 1 A 47 47 THR CA C 47 59.331 59.817 -0.486 1
1 531 . 12 1 1 A 47 47 THR HA H 47 4.409 5.068 -0.659 1
1 532 . 12 1 1 A 47 47 THR CB C 47 71.655 70.346 1.309 1
1 538 . 12 1 1 A 47 47 THR C C 47 173.104 172.852 0.252 1
1 539 . 12 1 1 A 48 48 ASN N N 48 117.087 122.151 -5.064 1
1 540 . 12 1 1 A 48 48 ASN H H 48 8.647 8.410 0.237 1
1 541 . 12 1 1 A 48 48 ASN CA C 48 51.019 51.743 -0.724 1
1 542 . 12 1 1 A 48 48 ASN HA H 48 5.096 5.264 -0.168 1
1 543 . 12 1 1 A 48 48 ASN CB C 48 39.880 42.008 -2.128 1
1 548 . 12 1 1 A 48 48 ASN C C 48 173.769 174.440 -0.671 1
1 550 . 12 1 1 A 49 49 PHE N N 49 123.238 123.025 0.213 1
1 551 . 12 1 1 A 49 49 PHE H H 49 9.105 8.199 0.906 1
1 552 . 12 1 1 A 49 49 PHE CA C 49 57.422 57.684 -0.262 1
1 553 . 12 1 1 A 49 49 PHE HA H 49 4.601 4.750 -0.149 1
1 554 . 12 1 1 A 49 49 PHE CB C 49 38.770 40.541 -1.771 1
1 566 . 12 1 1 A 49 49 PHE C C 49 176.238 175.484 0.754 1
1 568 . 12 1 1 A 50 50 SER N N 50 118.477 114.429 4.048 1
1 569 . 12 1 1 A 50 50 SER H H 50 8.344 7.725 0.619 1
1 570 . 12 1 1 A 50 50 SER CA C 50 58.654 58.111 0.543 1
1 571 . 12 1 1 A 50 50 SER HA H 50 4.933 4.535 0.398 1
1 572 . 12 1 1 A 50 50 SER CB C 50 66.611 65.205 1.406 1
1 573 . 12 1 1 A 50 50 SER C C 50 173.089 175.851 -2.762 1
1 574 . 12 1 1 A 51 51 GLU N N 51 114.036 118.695 -4.659 1
1 575 . 12 1 1 A 51 51 GLU H H 51 9.051 9.146 -0.095 1
1 576 . 12 1 1 A 51 51 GLU CA C 51 56.701 58.005 -1.304 1
1 577 . 12 1 1 A 51 51 GLU HA H 51 4.358 4.219 0.139 1
1 578 . 12 1 1 A 51 51 GLU CB C 51 30.323 29.140 1.183 1
1 582 . 12 1 1 A 51 51 GLU C C 51 175.603 176.449 -0.846 1
1 585 . 12 1 1 A 52 52 GLY N N 52 109.625 108.356 1.269 1
1 586 . 12 1 1 A 52 52 GLY H H 52 8.525 7.833 0.692 1
1 587 . 12 1 1 A 52 52 GLY CA C 52 44.267 44.379 -0.112 1
1 588 . 12 1 1 A 52 52 GLY HA3 H 52 4.505 3.823 0.682 1
1 589 . 12 1 1 A 52 52 GLY C C 52 173.168 172.150 1.018 1
1 590 . 12 1 1 A 52 52 GLY HA2 H 52 2.842 3.262 -0.420 1
1 591 . 12 1 1 A 53 53 ASP N N 53 125.175 124.909 0.266 1
1 592 . 12 1 1 A 53 53 ASP H H 53 9.001 8.602 0.399 1
1 593 . 12 1 1 A 53 53 ASP CA C 53 55.793 55.233 0.560 1
1 594 . 12 1 1 A 53 53 ASP HA H 53 4.082 4.636 -0.554 1
1 595 . 12 1 1 A 53 53 ASP CB C 53 40.522 41.508 -0.986 1
1 597 . 12 1 1 A 53 53 ASP C C 53 176.506 175.911 0.595 1
1 599 . 12 1 1 A 54 54 VAL N N 54 125.250 121.834 3.416 1
1 600 . 12 1 1 A 54 54 VAL H H 54 7.873 8.008 -0.135 1
1 601 . 12 1 1 A 54 54 VAL CA C 54 61.350 61.220 0.130 1
1 602 . 12 1 1 A 54 54 VAL HA H 54 4.759 4.962 -0.203 1
1 603 . 12 1 1 A 54 54 VAL CB C 54 32.808 33.824 -1.016 1
1 613 . 12 1 1 A 54 54 VAL C C 54 176.126 174.985 1.141 1
1 614 . 12 1 1 A 55 55 THR N N 55 116.888 117.257 -0.369 1
1 615 . 12 1 1 A 55 55 THR H H 55 9.004 8.623 0.381 1
1 616 . 12 1 1 A 55 55 THR CA C 55 59.194 59.997 -0.803 1
1 617 . 12 1 1 A 55 55 THR HA H 55 4.920 5.070 -0.150 1
1 618 . 12 1 1 A 55 55 THR CB C 55 72.508 72.206 0.302 1
1 624 . 12 1 1 A 55 55 THR C C 55 173.166 173.833 -0.667 1
1 625 . 12 1 1 A 56 56 HIS N N 56 115.667 120.184 -4.517 1
1 626 . 12 1 1 A 56 56 HIS H H 56 9.193 9.019 0.174 1
1 627 . 12 1 1 A 56 56 HIS CA C 56 56.363 56.583 -0.220 1
1 628 . 12 1 1 A 56 56 HIS HA H 56 4.153 4.230 -0.077 1
1 629 . 12 1 1 A 56 56 HIS CB C 56 26.923 28.248 -1.325 1
1 635 . 12 1 1 A 56 56 HIS C C 56 173.611 174.968 -1.357 1
1 637 . 12 1 1 A 57 57 PHE N N 57 118.625 119.211 -0.586 1
1 638 . 12 1 1 A 57 57 PHE H H 57 8.932 8.078 0.854 1
1 639 . 12 1 1 A 57 57 PHE CA C 57 59.503 57.879 1.624 1
1 640 . 12 1 1 A 57 57 PHE HA H 57 4.819 4.727 0.092 1
1 641 . 12 1 1 A 57 57 PHE CB C 57 39.871 39.818 0.053 1
1 653 . 12 1 1 A 57 57 PHE C C 57 176.025 174.546 1.479 1
1 655 . 12 1 1 A 58 58 ILE N N 58 131.418 127.360 4.058 1
1 656 . 12 1 1 A 58 58 ILE H H 58 8.989 8.999 -0.010 1
1 657 . 12 1 1 A 58 58 ILE CA C 58 61.138 59.454 1.684 1
1 658 . 12 1 1 A 58 58 ILE HA H 58 4.001 4.420 -0.419 1
1 659 . 12 1 1 A 58 58 ILE CB C 58 41.349 40.675 0.674 1
1 671 . 12 1 1 A 58 58 ILE C C 58 173.046 174.096 -1.050 1
1 673 . 12 1 1 A 59 59 CYS N N 59 126.838 127.750 -0.912 1
1 674 . 12 1 1 A 59 59 CYS H H 59 8.844 8.759 0.085 1
1 675 . 12 1 1 A 59 59 CYS CA C 59 56.902 57.006 -0.104 1
1 676 . 12 1 1 A 59 59 CYS HA H 59 5.044 5.192 -0.148 1
1 677 . 12 1 1 A 59 59 CYS CB C 59 28.363 29.190 -0.827 1
1 679 . 12 1 1 A 59 59 CYS C C 59 173.375 173.557 -0.182 1
1 681 . 12 1 1 A 60 60 GLN N N 60 126.903 127.243 -0.340 1
1 682 . 12 1 1 A 60 60 GLN H H 60 8.929 8.492 0.437 1
1 683 . 12 1 1 A 60 60 GLN CA C 60 54.162 54.644 -0.482 1
1 684 . 12 1 1 A 60 60 GLN HA H 60 4.656 5.148 -0.492 1
1 685 . 12 1 1 A 60 60 GLN CB C 60 31.991 31.544 0.447 1
1 691 . 12 1 1 A 60 60 GLN C C 60 174.000 174.824 -0.824 1
1 694 . 12 1 1 A 61 61 ALA N N 61 124.049 121.121 2.928 1
1 695 . 12 1 1 A 61 61 ALA H H 61 8.178 8.563 -0.385 1
1 696 . 12 1 1 A 61 61 ALA CA C 61 50.160 51.293 -1.133 1
1 697 . 12 1 1 A 61 61 ALA HA H 61 5.192 5.123 0.069 1
1 698 . 12 1 1 A 61 61 ALA CB C 61 23.419 23.765 -0.346 1
1 702 . 12 1 1 A 61 61 ALA C C 61 175.076 175.470 -0.394 1
1 703 . 12 1 1 A 62 62 ALA N N 62 121.362 120.201 1.161 1
1 704 . 12 1 1 A 62 62 ALA H H 62 8.488 8.413 0.075 1
1 705 . 12 1 1 A 62 62 ALA CA C 62 51.309 51.438 -0.129 1
1 706 . 12 1 1 A 62 62 ALA HA H 62 4.667 5.087 -0.420 1
1 707 . 12 1 1 A 62 62 ALA CB C 62 22.617 22.827 -0.210 1
1 711 . 12 1 1 A 62 62 ALA C C 62 176.013 176.101 -0.088 1
1 712 . 12 1 1 A 63 63 VAL N N 63 113.572 115.879 -2.307 1
1 713 . 12 1 1 A 63 63 VAL H H 63 8.271 8.689 -0.418 1
1 714 . 12 1 1 A 63 63 VAL CA C 63 57.691 57.800 -0.109 1
1 715 . 12 1 1 A 63 63 VAL HA H 63 5.045 4.947 0.098 1
1 716 . 12 1 1 A 63 63 VAL CB C 63 32.968 34.381 -1.413 1
1 726 . 12 1 1 A 63 63 VAL C C 63 173.707 173.219 0.488 1
1 727 . 12 1 1 A 64 64 PRO CA C 64 62.757 62.700 0.057 1
1 728 . 12 1 1 A 64 64 PRO HA H 64 4.459 4.646 -0.187 1
1 729 . 12 1 1 A 64 64 PRO CB C 64 32.728 32.534 0.194 1
1 735 . 12 1 1 A 64 64 PRO C C 64 176.348 177.758 -1.410 1
1 739 . 12 1 1 A 65 65 LYS N N 65 118.624 124.057 -5.433 1
1 740 . 12 1 1 A 65 65 LYS H H 65 8.323 8.544 -0.221 1
1 741 . 12 1 1 A 65 65 LYS CA C 65 58.516 59.887 -1.371 1
1 742 . 12 1 1 A 65 65 LYS HA H 65 4.183 3.866 0.317 1
1 743 . 12 1 1 A 65 65 LYS CB C 65 32.320 32.153 0.167 1
1 751 . 12 1 1 A 65 65 LYS C C 65 176.595 178.626 -2.031 1
1 756 . 12 1 1 A 66 66 SER N N 66 111.762 116.172 -4.410 1
1 757 . 12 1 1 A 66 66 SER H H 66 7.779 8.030 -0.251 1
1 758 . 12 1 1 A 66 66 SER CA C 66 59.298 62.376 -3.078 1
1 759 . 12 1 1 A 66 66 SER HA H 66 4.234 4.131 0.103 1
1 760 . 12 1 1 A 66 66 SER CB C 66 62.984 62.900 0.084 1
1 762 . 12 1 1 A 66 66 SER C C 66 174.137 174.860 -0.723 1
1 764 . 12 1 1 A 67 67 LEU N N 67 124.569 118.418 6.151 1
1 765 . 12 1 1 A 67 67 LEU H H 67 8.109 8.083 0.026 1
1 766 . 12 1 1 A 67 67 LEU CA C 67 54.940 53.174 1.766 1
1 767 . 12 1 1 A 67 67 LEU HA H 67 4.836 4.920 -0.084 1
1 768 . 12 1 1 A 67 67 LEU CB C 67 43.882 44.301 -0.419 1
1 780 . 12 1 1 A 67 67 LEU C C 67 174.925 175.883 -0.958 1
1 782 . 12 1 1 A 68 68 GLN N N 68 117.163 120.962 -3.799 1
1 783 . 12 1 1 A 68 68 GLN H H 68 8.063 8.792 -0.729 1
1 784 . 12 1 1 A 68 68 GLN CA C 68 54.829 54.070 0.759 1
1 785 . 12 1 1 A 68 68 GLN HA H 68 4.674 5.149 -0.475 1
1 786 . 12 1 1 A 68 68 GLN CB C 68 31.579 32.286 -0.707 1
1 793 . 12 1 1 A 68 68 GLN C C 68 174.077 173.920 0.157 1
1 796 . 12 1 1 A 69 69 LEU N N 69 126.046 123.786 2.260 1
1 797 . 12 1 1 A 69 69 LEU H H 69 8.676 8.836 -0.160 1
1 798 . 12 1 1 A 69 69 LEU CA C 69 54.073 53.865 0.208 1
1 799 . 12 1 1 A 69 69 LEU HA H 69 5.231 5.194 0.037 1
1 800 . 12 1 1 A 69 69 LEU CB C 69 45.602 46.602 -1.000 1
1 811 . 12 1 1 A 69 69 LEU C C 69 175.497 174.455 1.042 1
1 813 . 12 1 1 A 70 70 GLN N N 70 126.758 124.812 1.946 1
1 814 . 12 1 1 A 70 70 GLN H H 70 9.410 8.980 0.430 1
1 815 . 12 1 1 A 70 70 GLN CA C 70 54.657 54.627 0.030 1
1 816 . 12 1 1 A 70 70 GLN HA H 70 4.746 4.888 -0.142 1
1 817 . 12 1 1 A 70 70 GLN CB C 70 31.537 32.398 -0.861 1
1 824 . 12 1 1 A 70 70 GLN C C 70 174.686 174.175 0.511 1
1 827 . 12 1 1 A 71 71 LEU N N 71 126.413 128.371 -1.958 1
1 828 . 12 1 1 A 71 71 LEU H H 71 8.936 8.710 0.226 1
1 829 . 12 1 1 A 71 71 LEU CA C 71 55.294 54.286 1.008 1
1 830 . 12 1 1 A 71 71 LEU HA H 71 4.752 4.505 0.247 1
1 831 . 12 1 1 A 71 71 LEU CB C 71 43.898 42.960 0.938 1
1 843 . 12 1 1 A 71 71 LEU C C 71 176.498 175.578 0.920 1
1 845 . 12 1 1 A 72 72 GLN N N 72 121.553 127.569 -6.016 1
1 846 . 12 1 1 A 72 72 GLN H H 72 8.100 7.844 0.256 1
1 847 . 12 1 1 A 72 72 GLN CA C 72 54.209 54.733 -0.524 1
1 848 . 12 1 1 A 72 72 GLN HA H 72 4.589 4.273 0.316 1
1 849 . 12 1 1 A 72 72 GLN CB C 72 31.142 29.561 1.581 1
1 856 . 12 1 1 A 72 72 GLN C C 72 174.254 175.489 -1.235 1
1 859 . 12 1 1 A 73 73 ALA N N 73 124.262 126.146 -1.884 1
1 860 . 12 1 1 A 73 73 ALA H H 73 8.452 8.414 0.038 1
1 861 . 12 1 1 A 73 73 ALA CA C 73 51.211 50.603 0.608 1
1 862 . 12 1 1 A 73 73 ALA HA H 73 4.500 4.398 0.102 1
1 863 . 12 1 1 A 73 73 ALA CB C 73 17.185 18.417 -1.232 1
1 867 . 12 1 1 A 73 73 ALA C C 73 176.548 175.916 0.632 1
1 868 . 12 1 1 A 74 74 PRO CA C 74 62.160 62.439 -0.279 1
1 869 . 12 1 1 A 74 74 PRO HA H 74 4.848 4.657 0.191 1
1 870 . 12 1 1 A 74 74 PRO CB C 74 32.897 33.239 -0.342 1
1 874 . 12 1 1 A 74 74 PRO C C 74 177.266 176.785 0.481 1
1 878 . 12 1 1 A 75 75 SER N N 75 115.398 116.368 -0.970 1
1 879 . 12 1 1 A 75 75 SER H H 75 9.293 8.757 0.536 1
1 880 . 12 1 1 A 75 75 SER CA C 75 61.024 60.534 0.490 1
1 881 . 12 1 1 A 75 75 SER HA H 75 4.154 4.270 -0.116 1
1 882 . 12 1 1 A 75 75 SER CB C 75 62.867 63.732 -0.865 1
1 884 . 12 1 1 A 75 75 SER C C 75 174.460 175.269 -0.809 1
1 886 . 12 1 1 A 76 76 GLY N N 76 106.233 107.721 -1.488 1
1 887 . 12 1 1 A 76 76 GLY H H 76 7.208 7.432 -0.224 1
1 888 . 12 1 1 A 76 76 GLY CA C 76 44.930 45.407 -0.477 1
1 889 . 12 1 1 A 76 76 GLY HA3 H 76 4.306 4.053 0.253 1
1 890 . 12 1 1 A 76 76 GLY C C 76 171.327 174.553 -3.226 1
1 891 . 12 1 1 A 76 76 GLY HA2 H 76 4.095 4.045 0.050 1
1 892 . 12 1 1 A 77 77 ASN CA C 77 53.060 54.248 -1.188 1
1 893 . 12 1 1 A 77 77 ASN HA H 77 5.001 4.332 0.669 1
1 894 . 12 1 1 A 77 77 ASN CB C 77 40.650 36.827 3.823 1
1 899 . 12 1 1 A 77 77 ASN C C 77 173.427 173.977 -0.550 1
1 901 . 12 1 1 A 78 78 THR N N 78 114.705 112.467 2.238 1
1 902 . 12 1 1 A 78 78 THR H H 78 7.579 7.427 0.152 1
1 903 . 12 1 1 A 78 78 THR CA C 78 59.766 61.071 -1.305 1
1 904 . 12 1 1 A 78 78 THR HA H 78 5.174 5.112 0.062 1
1 905 . 12 1 1 A 78 78 THR CB C 78 71.855 72.577 -0.722 1
1 911 . 12 1 1 A 78 78 THR C C 78 173.138 173.236 -0.098 1
1 912 . 12 1 1 A 79 79 VAL N N 79 123.606 125.554 -1.948 1
1 913 . 12 1 1 A 79 79 VAL H H 79 8.696 9.328 -0.632 1
1 914 . 12 1 1 A 79 79 VAL CA C 79 58.982 58.947 0.035 1
1 915 . 12 1 1 A 79 79 VAL HA H 79 4.495 4.522 -0.027 1
1 916 . 12 1 1 A 79 79 VAL CB C 79 32.717 35.472 -2.755 1
1 926 . 12 1 1 A 79 79 VAL C C 79 174.289 173.937 0.352 1
1 927 . 12 1 1 A 80 80 PRO CA C 80 63.184 62.319 0.865 1
1 928 . 12 1 1 A 80 80 PRO HA H 80 4.160 4.739 -0.579 1
1 929 . 12 1 1 A 80 80 PRO CB C 80 33.128 32.156 0.972 1
1 935 . 12 1 1 A 80 80 PRO C C 80 174.009 177.515 -3.506 1
1 939 . 12 1 1 A 81 81 ALA N N 81 120.000 125.928 -5.928 1
1 940 . 12 1 1 A 81 81 ALA H H 81 8.371 8.548 -0.177 1
1 941 . 12 1 1 A 81 81 ALA CA C 81 51.951 53.322 -1.371 1
1 942 . 12 1 1 A 81 81 ALA HA H 81 3.715 4.254 -0.539 1
1 943 . 12 1 1 A 81 81 ALA CB C 81 20.029 18.985 1.044 1
1 947 . 12 1 1 A 81 81 ALA C C 81 176.740 177.453 -0.713 1
1 948 . 12 1 1 A 82 82 ARG N N 82 111.901 117.603 -5.702 1
1 949 . 12 1 1 A 82 82 ARG H H 82 8.724 7.664 1.060 1
1 950 . 12 1 1 A 82 82 ARG CA C 82 57.062 55.400 1.662 1
1 951 . 12 1 1 A 82 82 ARG HA H 82 3.665 4.614 -0.949 1
1 952 . 12 1 1 A 82 82 ARG CB C 82 26.959 30.104 -3.145 1
1 958 . 12 1 1 A 82 82 ARG C C 82 176.777 175.575 1.202 1
1 962 . 12 1 1 A 83 83 GLY N N 83 107.610 109.059 -1.449 1
1 963 . 12 1 1 A 83 83 GLY H H 83 9.251 7.984 1.267 1
1 964 . 12 1 1 A 83 83 GLY CA C 83 46.389 47.082 -0.693 1
1 965 . 12 1 1 A 83 83 GLY HA3 H 83 3.731 4.123 -0.392 1
1 966 . 12 1 1 A 83 83 GLY C C 83 176.193 174.917 1.276 1
1 967 . 12 1 1 A 83 83 GLY HA2 H 83 3.352 3.811 -0.459 1
1 968 . 12 1 1 A 84 84 GLY N N 84 106.030 108.146 -2.116 1
1 969 . 12 1 1 A 84 84 GLY H H 84 7.015 8.143 -1.128 1
1 970 . 12 1 1 A 84 84 GLY CA C 84 45.272 44.679 0.593 1
1 971 . 12 1 1 A 84 84 GLY HA3 H 84 3.537 4.037 -0.500 1
1 972 . 12 1 1 A 84 84 GLY C C 84 171.651 173.034 -1.383 1
1 973 . 12 1 1 A 84 84 GLY HA2 H 84 3.891 4.014 -0.123 1
1 974 . 12 1 1 A 85 85 LEU N N 85 120.524 122.764 -2.240 1
1 975 . 12 1 1 A 85 85 LEU H H 85 7.903 8.101 -0.198 1
1 976 . 12 1 1 A 85 85 LEU CA C 85 53.494 51.107 2.387 1
1 977 . 12 1 1 A 85 85 LEU HA H 85 4.346 4.915 -0.569 1
1 978 . 12 1 1 A 85 85 LEU CB C 85 42.901 44.725 -1.824 1
1 990 . 12 1 1 A 85 85 LEU C C 85 174.362 174.948 -0.586 1
1 992 . 12 1 1 A 86 86 PRO CA C 86 62.752 62.306 0.446 1
1 993 . 12 1 1 A 86 86 PRO HA H 86 4.570 4.529 0.041 1
1 994 . 12 1 1 A 86 86 PRO CB C 86 33.557 32.490 1.067 1
1 1000 . 12 1 1 A 86 86 PRO C C 86 178.338 176.202 2.136 1
1 1004 . 12 1 1 A 87 87 ILE N N 87 118.504 122.418 -3.914 1
1 1005 . 12 1 1 A 87 87 ILE H H 87 7.544 8.516 -0.972 1
1 1006 . 12 1 1 A 87 87 ILE CA C 87 60.571 61.056 -0.485 1
1 1007 . 12 1 1 A 87 87 ILE HA H 87 4.021 4.450 -0.429 1
1 1008 . 12 1 1 A 87 87 ILE CB C 87 40.787 38.641 2.146 1
1 1020 . 12 1 1 A 87 87 ILE C C 87 175.620 175.750 -0.130 1
1 1022 . 12 1 1 A 88 88 THR N N 88 115.839 117.795 -1.956 1
1 1023 . 12 1 1 A 88 88 THR H H 88 8.788 9.022 -0.234 1
1 1024 . 12 1 1 A 88 88 THR CA C 88 58.935 60.522 -1.587 1
1 1025 . 12 1 1 A 88 88 THR HA H 88 5.678 5.669 0.009 1
1 1026 . 12 1 1 A 88 88 THR CB C 88 72.532 71.235 1.297 1
1 1032 . 12 1 1 A 88 88 THR C C 88 174.318 173.407 0.911 1
1 1033 . 12 1 1 A 89 89 GLN N N 89 121.295 123.873 -2.578 1
1 1034 . 12 1 1 A 89 89 GLN H H 89 8.399 8.939 -0.540 1
1 1035 . 12 1 1 A 89 89 GLN CA C 89 56.259 54.500 1.759 1
1 1036 . 12 1 1 A 89 89 GLN HA H 89 4.528 4.753 -0.225 1
1 1037 . 12 1 1 A 89 89 GLN CB C 89 30.760 31.177 -0.417 1
1 1044 . 12 1 1 A 89 89 GLN C C 89 172.439 174.261 -1.822 1
1 1047 . 12 1 1 A 90 90 LEU N N 90 129.715 126.901 2.814 1
1 1048 . 12 1 1 A 90 90 LEU H H 90 8.426 8.417 0.009 1
1 1049 . 12 1 1 A 90 90 LEU CA C 90 54.513 53.646 0.867 1
1 1050 . 12 1 1 A 90 90 LEU HA H 90 5.103 5.072 0.031 1
1 1051 . 12 1 1 A 90 90 LEU CB C 90 44.412 44.421 -0.009 1
1 1063 . 12 1 1 A 90 90 LEU C C 90 175.027 174.305 0.722 1
1 1065 . 12 1 1 A 91 91 PHE N N 91 123.227 124.318 -1.091 1
1 1066 . 12 1 1 A 91 91 PHE H H 91 9.647 8.742 0.905 1
1 1067 . 12 1 1 A 91 91 PHE CA C 91 55.327 56.324 -0.997 1
1 1068 . 12 1 1 A 91 91 PHE HA H 91 5.064 5.396 -0.332 1
1 1069 . 12 1 1 A 91 91 PHE CB C 91 40.899 41.670 -0.771 1
1 1081 . 12 1 1 A 91 91 PHE C C 91 174.296 174.737 -0.441 1
1 1083 . 12 1 1 A 92 92 ARG N N 92 121.174 124.168 -2.994 1
1 1084 . 12 1 1 A 92 92 ARG H H 92 8.726 8.932 -0.206 1
1 1085 . 12 1 1 A 92 92 ARG CA C 92 55.046 55.941 -0.895 1
1 1086 . 12 1 1 A 92 92 ARG HA H 92 5.109 4.682 0.427 1
1 1087 . 12 1 1 A 92 92 ARG CB C 92 32.524 30.736 1.788 1
1 1093 . 12 1 1 A 92 92 ARG C C 92 175.154 175.018 0.136 1
1 1097 . 12 1 1 A 93 93 ILE N N 93 126.629 125.593 1.036 1
1 1098 . 12 1 1 A 93 93 ILE H H 93 9.599 8.970 0.629 1
1 1099 . 12 1 1 A 93 93 ILE CA C 93 59.538 59.840 -0.302 1
1 1100 . 12 1 1 A 93 93 ILE HA H 93 5.206 5.114 0.092 1
1 1101 . 12 1 1 A 93 93 ILE CB C 93 40.963 41.053 -0.090 1
1 1113 . 12 1 1 A 93 93 ILE C C 93 174.400 174.803 -0.403 1
1 1115 . 12 1 1 A 94 94 LEU N N 94 127.940 126.822 1.118 1
1 1116 . 12 1 1 A 94 94 LEU H H 94 8.853 8.962 -0.109 1
1 1117 . 12 1 1 A 94 94 LEU CA C 94 53.673 53.171 0.502 1
1 1118 . 12 1 1 A 94 94 LEU HA H 94 5.152 5.154 -0.002 1
1 1119 . 12 1 1 A 94 94 LEU CB C 94 44.245 43.814 0.431 1
1 1131 . 12 1 1 A 94 94 LEU C C 94 176.106 175.837 0.269 1
1 1133 . 12 1 1 A 95 95 ASN N N 95 119.567 122.534 -2.967 1
1 1134 . 12 1 1 A 95 95 ASN H H 95 9.271 8.780 0.491 1
1 1135 . 12 1 1 A 95 95 ASN CA C 95 49.634 50.740 -1.106 1
1 1136 . 12 1 1 A 95 95 ASN HA H 95 5.361 5.268 0.093 1
1 1137 . 12 1 1 A 95 95 ASN CB C 95 39.189 39.171 0.018 1
1 1142 . 12 1 1 A 95 95 ASN C C 95 173.779 173.905 -0.126 1
1 1144 . 12 1 1 A 96 96 PRO CA C 96 64.795 64.417 0.378 1
1 1145 . 12 1 1 A 96 96 PRO HA H 96 4.306 4.479 -0.173 1
1 1146 . 12 1 1 A 96 96 PRO CB C 96 32.010 31.903 0.107 1
1 1152 . 12 1 1 A 96 96 PRO C C 96 177.656 177.589 0.067 1
1 1156 . 12 1 1 A 97 97 ASN N N 97 114.343 114.656 -0.313 1
1 1157 . 12 1 1 A 97 97 ASN H H 97 8.840 7.834 1.006 1
1 1158 . 12 1 1 A 97 97 ASN CA C 97 52.889 52.702 0.187 1
1 1159 . 12 1 1 A 97 97 ASN HA H 97 4.828 4.822 0.006 1
1 1160 . 12 1 1 A 97 97 ASN CB C 97 38.085 38.599 -0.514 1
1 1165 . 12 1 1 A 97 97 ASN C C 97 174.361 174.505 -0.144 1
1 1167 . 12 1 1 A 98 98 LYS N N 98 118.175 115.919 2.256 1
1 1168 . 12 1 1 A 98 98 LYS H H 98 7.735 7.535 0.200 1
1 1169 . 12 1 1 A 98 98 LYS CA C 98 57.625 57.184 0.441 1
1 1170 . 12 1 1 A 98 98 LYS HA H 98 3.780 3.865 -0.085 1
1 1171 . 12 1 1 A 98 98 LYS CB C 98 29.343 29.849 -0.506 1
1 1179 . 12 1 1 A 98 98 LYS C C 98 174.779 175.001 -0.222 1
1 1184 . 12 1 1 A 99 99 ALA N N 99 122.321 120.714 1.607 1
1 1185 . 12 1 1 A 99 99 ALA H H 99 8.454 7.850 0.604 1
1 1186 . 12 1 1 A 99 99 ALA CA C 99 49.893 49.180 0.713 1
1 1187 . 12 1 1 A 99 99 ALA HA H 99 4.415 4.659 -0.244 1
1 1188 . 12 1 1 A 99 99 ALA CB C 99 18.125 20.411 -2.286 1
1 1192 . 12 1 1 A 99 99 ALA C C 99 175.018 175.701 -0.683 1
1 1193 . 12 1 1 A 100 100 PRO CA C 100 62.082 62.405 -0.323 1
1 1194 . 12 1 1 A 100 100 PRO CB C 100 31.068 30.381 0.687 1
1 1203 . 12 1 1 A 101 101 LEU H H 101 5.223 8.740 -3.517 1
1 1204 . 12 1 1 A 101 101 LEU CA C 101 55.181 53.268 1.913 1
1 1205 . 12 1 1 A 101 101 LEU HA H 101 3.758 4.871 -1.113 1
1 1206 . 12 1 1 A 101 101 LEU CB C 101 43.103 43.210 -0.107 1
1 1218 . 12 1 1 A 101 101 LEU C C 101 174.350 175.653 -1.303 1
1 1220 . 12 1 1 A 102 102 ARG N N 102 122.304 120.986 1.318 1
1 1221 . 12 1 1 A 102 102 ARG H H 102 6.412 8.554 -2.142 1
1 1222 . 12 1 1 A 102 102 ARG CA C 102 54.659 54.638 0.021 1
1 1223 . 12 1 1 A 102 102 ARG HA H 102 4.500 4.823 -0.323 1
1 1224 . 12 1 1 A 102 102 ARG CB C 102 33.168 33.090 0.078 1
1 1230 . 12 1 1 A 102 102 ARG C C 102 173.625 174.409 -0.784 1
1 1234 . 12 1 1 A 103 103 LEU N N 103 119.849 123.028 -3.179 1
1 1235 . 12 1 1 A 103 103 LEU H H 103 8.301 8.736 -0.435 1
1 1236 . 12 1 1 A 103 103 LEU CA C 103 53.667 54.248 -0.581 1
1 1237 . 12 1 1 A 103 103 LEU HA H 103 4.886 4.965 -0.079 1
1 1238 . 12 1 1 A 103 103 LEU CB C 103 47.097 46.115 0.982 1
1 1250 . 12 1 1 A 103 103 LEU C C 103 173.874 173.717 0.157 1
1 1252 . 12 1 1 A 104 104 LYS N N 104 126.165 128.798 -2.633 1
1 1253 . 12 1 1 A 104 104 LYS H H 104 8.516 8.955 -0.439 1
1 1254 . 12 1 1 A 104 104 LYS CA C 104 55.117 54.877 0.240 1
1 1255 . 12 1 1 A 104 104 LYS HA H 104 4.773 5.107 -0.334 1
1 1256 . 12 1 1 A 104 104 LYS CB C 104 34.581 34.199 0.382 1
1 1264 . 12 1 1 A 104 104 LYS C C 104 174.980 174.853 0.127 1
1 1269 . 12 1 1 A 105 105 LEU N N 105 125.172 126.597 -1.425 1
1 1270 . 12 1 1 A 105 105 LEU H H 105 8.586 8.674 -0.088 1
1 1271 . 12 1 1 A 105 105 LEU CA C 105 53.059 53.189 -0.130 1
1 1272 . 12 1 1 A 105 105 LEU HA H 105 4.923 5.043 -0.120 1
1 1273 . 12 1 1 A 105 105 LEU CB C 105 44.358 45.188 -0.830 1
1 1285 . 12 1 1 A 105 105 LEU C C 105 174.037 174.879 -0.842 1
1 1287 . 12 1 1 A 106 106 ARG N N 106 119.880 124.959 -5.079 1
1 1288 . 12 1 1 A 106 106 ARG H H 106 8.363 9.183 -0.820 1
1 1289 . 12 1 1 A 106 106 ARG CA C 106 54.374 54.269 0.105 1
1 1290 . 12 1 1 A 106 106 ARG HA H 106 4.926 4.922 0.004 1
1 1291 . 12 1 1 A 106 106 ARG CB C 106 32.783 33.670 -0.887 1
1 1297 . 12 1 1 A 106 106 ARG C C 106 174.611 174.280 0.331 1
1 1301 . 12 1 1 A 107 107 LEU N N 107 128.498 127.551 0.947 1
1 1302 . 12 1 1 A 107 107 LEU H H 107 9.260 8.635 0.625 1
1 1303 . 12 1 1 A 107 107 LEU CA C 107 52.942 53.569 -0.627 1
1 1304 . 12 1 1 A 107 107 LEU HA H 107 5.110 5.375 -0.265 1
1 1305 . 12 1 1 A 107 107 LEU CB C 107 45.279 44.715 0.564 1
1 1317 . 12 1 1 A 107 107 LEU C C 107 175.494 175.560 -0.066 1
1 1319 . 12 1 1 A 108 108 THR N N 108 114.947 115.583 -0.636 1
1 1320 . 12 1 1 A 108 108 THR H H 108 8.424 8.587 -0.163 1
1 1321 . 12 1 1 A 108 108 THR CA C 108 59.201 60.937 -1.736 1
1 1322 . 12 1 1 A 108 108 THR HA H 108 5.344 5.399 -0.055 1
1 1323 . 12 1 1 A 108 108 THR CB C 108 71.413 71.277 0.136 1
1 1329 . 12 1 1 A 108 108 THR C C 108 172.424 172.701 -0.277 1
1 1330 . 12 1 1 A 109 109 TYR N N 109 114.691 119.710 -5.019 1
1 1331 . 12 1 1 A 109 109 TYR H H 109 8.056 8.365 -0.309 1
1 1332 . 12 1 1 A 109 109 TYR CA C 109 57.133 56.321 0.812 1
1 1333 . 12 1 1 A 109 109 TYR HA H 109 4.769 5.266 -0.497 1
1 1334 . 12 1 1 A 109 109 TYR CB C 109 38.008 40.250 -2.242 1
1 1344 . 12 1 1 A 109 109 TYR C C 109 171.790 171.850 -0.060 1
1 1346 . 12 1 1 A 110 110 ASP N N 110 119.179 120.817 -1.638 1
1 1347 . 12 1 1 A 110 110 ASP H H 110 9.332 9.011 0.321 1
1 1348 . 12 1 1 A 110 110 ASP CA C 110 53.147 53.042 0.105 1
1 1349 . 12 1 1 A 110 110 ASP HA H 110 5.855 5.645 0.210 1
1 1350 . 12 1 1 A 110 110 ASP CB C 110 42.179 44.620 -2.441 1
1 1352 . 12 1 1 A 110 110 ASP C C 110 176.257 174.453 1.804 1
1 1354 . 12 1 1 A 111 111 HIS N N 111 122.092 126.086 -3.994 1
1 1355 . 12 1 1 A 111 111 HIS H H 111 8.993 9.415 -0.422 1
1 1356 . 12 1 1 A 111 111 HIS CA C 111 55.365 55.673 -0.308 1
1 1357 . 12 1 1 A 111 111 HIS HA H 111 4.768 5.071 -0.303 1
1 1358 . 12 1 1 A 111 111 HIS CB C 111 36.414 33.430 2.984 1
1 1364 . 12 1 1 A 111 111 HIS C C 111 175.420 174.581 0.839 1
1 1366 . 12 1 1 A 112 112 PHE N N 112 129.361 125.703 3.658 1
1 1367 . 12 1 1 A 112 112 PHE H H 112 10.128 9.415 0.713 1
1 1368 . 12 1 1 A 112 112 PHE CA C 112 59.353 58.764 0.589 1
1 1369 . 12 1 1 A 112 112 PHE HA H 112 3.972 3.711 0.261 1
1 1370 . 12 1 1 A 112 112 PHE CB C 112 36.136 36.386 -0.250 1
1 1382 . 12 1 1 A 112 112 PHE C C 112 175.288 174.844 0.444 1
1 1384 . 12 1 1 A 113 113 HIS N N 113 109.753 109.103 0.650 1
1 1385 . 12 1 1 A 113 113 HIS H H 113 8.856 8.488 0.368 1
1 1386 . 12 1 1 A 113 113 HIS CA C 113 57.593 56.953 0.640 1
1 1387 . 12 1 1 A 113 113 HIS HA H 113 4.168 4.164 0.004 1
1 1388 . 12 1 1 A 113 113 HIS CB C 113 27.575 27.109 0.466 1
1 1394 . 12 1 1 A 113 113 HIS C C 113 174.146 173.403 0.743 1
1 1396 . 12 1 1 A 114 114 GLN N N 114 118.510 117.805 0.705 1
1 1397 . 12 1 1 A 114 114 GLN H H 114 7.930 8.129 -0.199 1
1 1398 . 12 1 1 A 114 114 GLN CA C 114 54.303 54.258 0.045 1
1 1399 . 12 1 1 A 114 114 GLN HA H 114 4.674 4.866 -0.192 1
1 1400 . 12 1 1 A 114 114 GLN CB C 114 31.548 31.952 -0.404 1
1 1407 . 12 1 1 A 114 114 GLN C C 114 174.702 174.254 0.448 1
1 1410 . 12 1 1 A 115 115 SER N N 115 118.183 118.943 -0.760 1
1 1411 . 12 1 1 A 115 115 SER H H 115 8.528 8.702 -0.174 1
1 1412 . 12 1 1 A 115 115 SER CA C 115 57.665 58.036 -0.371 1
1 1413 . 12 1 1 A 115 115 SER HA H 115 5.112 4.752 0.360 1
1 1414 . 12 1 1 A 115 115 SER CB C 115 63.266 63.481 -0.215 1
1 1416 . 12 1 1 A 115 115 SER C C 115 174.157 173.755 0.402 1
1 1418 . 12 1 1 A 116 116 VAL N N 116 130.788 125.965 4.823 1
1 1419 . 12 1 1 A 116 116 VAL H H 116 9.445 8.859 0.586 1
1 1420 . 12 1 1 A 116 116 VAL CA C 116 62.375 61.415 0.960 1
1 1421 . 12 1 1 A 116 116 VAL HA H 116 3.870 4.355 -0.485 1
1 1422 . 12 1 1 A 116 116 VAL CB C 116 32.564 32.190 0.374 1
1 1432 . 12 1 1 A 116 116 VAL C C 116 175.674 174.247 1.427 1
1 1433 . 12 1 1 A 117 117 GLN N N 117 127.278 129.222 -1.944 1
1 1434 . 12 1 1 A 117 117 GLN H H 117 8.612 8.943 -0.331 1
1 1435 . 12 1 1 A 117 117 GLN CA C 117 55.004 54.649 0.355 1
1 1436 . 12 1 1 A 117 117 GLN HA H 117 5.170 4.957 0.213 1
1 1437 . 12 1 1 A 117 117 GLN CB C 117 31.166 31.148 0.018 1
1 1444 . 12 1 1 A 117 117 GLN C C 117 174.229 174.289 -0.060 1
1 1447 . 12 1 1 A 118 118 GLU N N 118 125.633 125.928 -0.295 1
1 1448 . 12 1 1 A 118 118 GLU H H 118 8.960 8.472 0.488 1
1 1449 . 12 1 1 A 118 118 GLU CA C 118 54.799 54.837 -0.038 1
1 1450 . 12 1 1 A 118 118 GLU HA H 118 4.869 5.053 -0.184 1
1 1451 . 12 1 1 A 118 118 GLU CB C 118 33.675 32.528 1.147 1
1 1455 . 12 1 1 A 118 118 GLU C C 118 174.340 175.232 -0.892 1
1 1458 . 12 1 1 A 119 119 ILE N N 119 123.525 124.751 -1.226 1
1 1459 . 12 1 1 A 119 119 ILE H H 119 8.683 8.945 -0.262 1
1 1460 . 12 1 1 A 119 119 ILE CA C 119 60.005 60.264 -0.259 1
1 1461 . 12 1 1 A 119 119 ILE HA H 119 5.157 4.433 0.724 1
1 1462 . 12 1 1 A 119 119 ILE CB C 119 40.761 39.547 1.214 1
1 1474 . 12 1 1 A 119 119 ILE C C 119 175.386 175.076 0.310 1
1 1476 . 12 1 1 A 120 120 PHE N N 120 122.954 124.194 -1.240 1
1 1477 . 12 1 1 A 120 120 PHE H H 120 8.647 7.875 0.772 1
1 1478 . 12 1 1 A 120 120 PHE CA C 120 55.754 54.832 0.922 1
1 1479 . 12 1 1 A 120 120 PHE HA H 120 5.064 5.788 -0.724 1
1 1480 . 12 1 1 A 120 120 PHE CB C 120 39.904 42.527 -2.623 1
1 1492 . 12 1 1 A 120 120 PHE C C 120 172.536 173.538 -1.002 1
1 1494 . 12 1 1 A 121 121 GLU N N 121 120.205 119.734 0.471 1
1 1495 . 12 1 1 A 121 121 GLU H H 121 8.807 8.952 -0.145 1
1 1496 . 12 1 1 A 121 121 GLU CA C 121 54.976 54.894 0.082 1
1 1497 . 12 1 1 A 121 121 GLU HA H 121 4.795 5.200 -0.405 1
1 1498 . 12 1 1 A 121 121 GLU CB C 121 31.537 32.703 -1.166 1
1 1502 . 12 1 1 A 121 121 GLU C C 121 175.979 175.776 0.203 1
1 1505 . 12 1 1 A 122 122 VAL N N 122 124.567 124.746 -0.179 1
1 1506 . 12 1 1 A 122 122 VAL H H 122 8.818 8.708 0.110 1
1 1507 . 12 1 1 A 122 122 VAL CA C 122 62.536 62.795 -0.259 1
1 1508 . 12 1 1 A 122 122 VAL HA H 122 4.300 4.228 0.072 1
1 1509 . 12 1 1 A 122 122 VAL CB C 122 32.136 31.089 1.047 1
1 1519 . 12 1 1 A 122 122 VAL C C 122 175.324 175.940 -0.616 1
1 1520 . 12 1 1 A 123 123 ASN N N 123 125.013 125.182 -0.169 1
1 1521 . 12 1 1 A 123 123 ASN H H 123 8.770 8.720 0.050 1
1 1522 . 12 1 1 A 123 123 ASN CA C 123 52.889 53.026 -0.137 1
1 1523 . 12 1 1 A 123 123 ASN HA H 123 5.072 5.044 0.028 1
1 1524 . 12 1 1 A 123 123 ASN CB C 123 40.114 38.951 1.163 1
1 1529 . 12 1 1 A 123 123 ASN C C 123 174.799 175.787 -0.988 1
1 1531 . 12 1 1 A 124 124 ASN N N 124 117.247 116.745 0.502 1
1 1532 . 12 1 1 A 124 124 ASN H H 124 8.599 8.171 0.428 1
1 1533 . 12 1 1 A 124 124 ASN CA C 124 52.853 52.748 0.105 1
1 1534 . 12 1 1 A 124 124 ASN HA H 124 4.721 4.860 -0.139 1
1 1535 . 12 1 1 A 124 124 ASN CB C 124 36.882 39.724 -2.842 1
1 1540 . 12 1 1 A 124 124 ASN C C 124 174.437 175.645 -1.208 1
1 1542 . 12 1 1 A 125 125 LEU N N 125 119.273 123.494 -4.221 1
1 1543 . 12 1 1 A 125 125 LEU H H 125 8.105 7.406 0.699 1
1 1544 . 12 1 1 A 125 125 LEU CA C 125 53.787 54.116 -0.329 1
1 1545 . 12 1 1 A 125 125 LEU HA H 125 4.187 4.427 -0.240 1
1 1546 . 12 1 1 A 125 125 LEU CB C 125 40.398 41.664 -1.266 1
1 1558 . 12 1 1 A 125 125 LEU C C 125 175.528 174.911 0.617 1
1 1560 . 12 1 1 A 126 126 PRO CA C 126 62.439 62.414 0.025 1
1 1561 . 12 1 1 A 126 126 PRO HA H 126 4.519 4.542 -0.023 1
1 1562 . 12 1 1 A 126 126 PRO CB C 126 31.210 32.783 -1.573 1
1 1568 . 12 1 1 A 126 126 PRO C C 126 179.073 176.006 3.067 1
1 1572 . 12 1 1 A 127 127 VAL N N 127 124.759 118.055 6.704 1
1 1573 . 12 1 1 A 127 127 VAL H H 127 8.794 8.030 0.764 1
1 1574 . 12 1 1 A 127 127 VAL CA C 127 64.360 62.710 1.650 1
1 1575 . 12 1 1 A 127 127 VAL HA H 127 3.216 4.113 -0.897 1
1 1576 . 12 1 1 A 127 127 VAL CB C 127 30.825 32.431 -1.606 1
1 1586 . 12 1 1 A 127 127 VAL C C 127 176.789 176.791 -0.002 1
1 1587 . 12 1 1 A 128 128 GLU N N 128 119.892 122.034 -2.142 1
1 1588 . 12 1 1 A 128 128 GLU H H 128 9.460 8.117 1.343 1
1 1589 . 12 1 1 A 128 128 GLU CA C 128 59.216 59.471 -0.255 1
1 1590 . 12 1 1 A 128 128 GLU HA H 128 3.831 3.757 0.074 1
1 1591 . 12 1 1 A 128 128 GLU CB C 128 29.188 29.378 -0.190 1
1 1595 . 12 1 1 A 128 128 GLU C C 128 177.624 178.586 -0.962 1
1 1598 . 12 1 1 A 129 129 SER N N 129 112.727 114.727 -2.000 1
1 1599 . 12 1 1 A 129 129 SER H H 129 8.057 8.020 0.037 1
1 1600 . 12 1 1 A 129 129 SER CA C 129 61.024 61.119 -0.095 1
1 1601 . 12 1 1 A 129 129 SER HA H 129 3.925 4.157 -0.232 1
1 1602 . 12 1 1 A 129 129 SER CB C 129 64.440 62.024 2.416 1
1 1604 . 12 1 1 A 129 129 SER C C 129 173.147 175.987 -2.840 1
1 1606 . 12 1 1 A 130 130 TRP N N 130 117.092 118.588 -1.496 1
1 1607 . 12 1 1 A 130 130 TRP H H 130 7.184 7.747 -0.563 1
1 1608 . 12 1 1 A 130 130 TRP CA C 130 57.027 58.739 -1.712 1
1 1609 . 12 1 1 A 130 130 TRP HA H 130 4.974 4.777 0.197 1
1 1610 . 12 1 1 A 130 130 TRP CB C 130 31.384 30.691 0.693 1
1 1624 . 12 1 1 A 130 130 TRP C C 130 174.759 177.263 -2.504 1
1 1 . 13 1 1 A 6 6 SER CA C 6 58.371 59.537 -1.166 1
1 2 . 13 1 1 A 6 6 SER HA H 6 4.533 4.465 0.068 1
1 3 . 13 1 1 A 6 6 SER CB C 6 63.994 64.639 -0.645 1
1 5 . 13 1 1 A 6 6 SER C C 6 174.472 174.230 0.242 1
1 7 . 13 1 1 A 7 7 GLY N N 7 110.741 107.214 3.527 1
1 8 . 13 1 1 A 7 7 GLY H H 7 8.209 7.288 0.921 1
1 9 . 13 1 1 A 7 7 GLY CA C 7 44.501 45.061 -0.560 1
1 10 . 13 1 1 A 7 7 GLY HA3 H 7 4.059 4.066 -0.007 1
1 11 . 13 1 1 A 7 7 GLY C C 7 171.084 171.379 -0.295 1
1 12 . 13 1 1 A 7 7 GLY HA2 H 7 4.155 4.066 0.089 1
1 13 . 13 1 1 A 8 8 PRO CA C 8 61.515 62.204 -0.689 1
1 14 . 13 1 1 A 8 8 PRO HA H 8 4.713 4.625 0.088 1
1 15 . 13 1 1 A 8 8 PRO CB C 8 30.760 32.097 -1.337 1
1 24 . 13 1 1 A 9 9 PRO HA H 9 4.724 4.565 0.159 1
1 30 . 13 1 1 A 10 10 PRO CA C 10 62.761 62.459 0.302 1
1 31 . 13 1 1 A 10 10 PRO HA H 10 4.389 4.592 -0.203 1
1 32 . 13 1 1 A 10 10 PRO CB C 10 32.082 33.178 -1.096 1
1 37 . 13 1 1 A 10 10 PRO C C 10 176.236 175.333 0.903 1
1 41 . 13 1 1 A 11 11 ALA N N 11 125.926 121.256 4.670 1
1 42 . 13 1 1 A 11 11 ALA H H 11 8.352 8.232 0.120 1
1 43 . 13 1 1 A 11 11 ALA CA C 11 50.343 49.372 0.971 1
1 44 . 13 1 1 A 11 11 ALA HA H 11 4.583 4.812 -0.229 1
1 45 . 13 1 1 A 11 11 ALA CB C 11 18.255 20.251 -1.996 1
1 49 . 13 1 1 A 11 11 ALA C C 11 175.479 175.094 0.385 1
1 50 . 13 1 1 A 12 12 PRO CA C 12 62.757 62.217 0.540 1
1 51 . 13 1 1 A 12 12 PRO HA H 12 4.386 4.600 -0.214 1
1 52 . 13 1 1 A 12 12 PRO CB C 12 32.104 33.079 -0.975 1
1 57 . 13 1 1 A 12 12 PRO C C 12 176.478 175.415 1.063 1
1 61 . 13 1 1 A 13 13 ILE N N 13 124.607 121.603 3.004 1
1 62 . 13 1 1 A 13 13 ILE H H 13 8.661 8.448 0.213 1
1 63 . 13 1 1 A 13 13 ILE CA C 13 59.081 58.371 0.710 1
1 64 . 13 1 1 A 13 13 ILE HA H 13 4.288 4.442 -0.154 1
1 65 . 13 1 1 A 13 13 ILE CB C 13 39.710 38.257 1.453 1
1 77 . 13 1 1 A 13 13 ILE C C 13 174.727 174.707 0.020 1
1 79 . 13 1 1 A 14 14 PRO CA C 14 63.433 62.357 1.076 1
1 80 . 13 1 1 A 14 14 PRO HA H 14 4.457 4.548 -0.091 1
1 81 . 13 1 1 A 14 14 PRO CB C 14 32.428 32.396 0.032 1
1 86 . 13 1 1 A 14 14 PRO C C 14 175.380 176.565 -1.185 1
1 90 . 13 1 1 A 15 15 ASP N N 15 118.741 120.284 -1.543 1
1 91 . 13 1 1 A 15 15 ASP H H 15 8.042 8.498 -0.456 1
1 92 . 13 1 1 A 15 15 ASP CA C 15 54.213 54.074 0.139 1
1 93 . 13 1 1 A 15 15 ASP HA H 15 5.064 4.849 0.215 1
1 94 . 13 1 1 A 15 15 ASP CB C 15 41.793 41.206 0.587 1
1 96 . 13 1 1 A 15 15 ASP C C 15 176.413 175.642 0.771 1
1 98 . 13 1 1 A 16 16 LEU N N 16 121.451 122.244 -0.793 1
1 99 . 13 1 1 A 16 16 LEU H H 16 9.016 8.836 0.180 1
1 100 . 13 1 1 A 16 16 LEU CA C 16 53.914 54.224 -0.310 1
1 101 . 13 1 1 A 16 16 LEU HA H 16 4.847 5.034 -0.187 1
1 102 . 13 1 1 A 16 16 LEU CB C 16 48.283 46.240 2.043 1
1 114 . 13 1 1 A 16 16 LEU C C 16 174.915 173.780 1.135 1
1 116 . 13 1 1 A 17 17 LYS N N 17 130.346 127.457 2.889 1
1 117 . 13 1 1 A 17 17 LYS H H 17 8.937 8.888 0.049 1
1 118 . 13 1 1 A 17 17 LYS CA C 17 57.027 56.881 0.146 1
1 119 . 13 1 1 A 17 17 LYS HA H 17 4.821 4.480 0.341 1
1 120 . 13 1 1 A 17 17 LYS CB C 17 31.991 33.109 -1.118 1
1 128 . 13 1 1 A 17 17 LYS C C 17 177.744 176.382 1.362 1
1 133 . 13 1 1 A 18 18 VAL N N 18 116.605 121.514 -4.909 1
1 134 . 13 1 1 A 18 18 VAL H H 18 8.228 8.539 -0.311 1
1 135 . 13 1 1 A 18 18 VAL CA C 18 60.586 62.141 -1.555 1
1 136 . 13 1 1 A 18 18 VAL HA H 18 4.807 4.572 0.235 1
1 137 . 13 1 1 A 18 18 VAL CB C 18 33.601 34.030 -0.429 1
1 147 . 13 1 1 A 18 18 VAL C C 18 174.118 175.845 -1.727 1
1 148 . 13 1 1 A 19 19 PHE N N 19 120.586 121.492 -0.906 1
1 149 . 13 1 1 A 19 19 PHE H H 19 7.429 7.229 0.200 1
1 150 . 13 1 1 A 19 19 PHE CA C 19 57.947 57.148 0.799 1
1 151 . 13 1 1 A 19 19 PHE HA H 19 4.544 4.551 -0.007 1
1 152 . 13 1 1 A 19 19 PHE CB C 19 43.455 42.367 1.088 1
1 162 . 13 1 1 A 19 19 PHE C C 19 172.947 172.857 0.090 1
1 164 . 13 1 1 A 20 20 GLU N N 20 126.790 126.673 0.117 1
1 165 . 13 1 1 A 20 20 GLU H H 20 7.620 8.108 -0.488 1
1 166 . 13 1 1 A 20 20 GLU CA C 20 55.117 54.788 0.329 1
1 167 . 13 1 1 A 20 20 GLU HA H 20 5.059 4.803 0.256 1
1 168 . 13 1 1 A 20 20 GLU CB C 20 32.091 32.585 -0.494 1
1 172 . 13 1 1 A 20 20 GLU C C 20 174.073 173.769 0.304 1
1 175 . 13 1 1 A 21 21 ARG N N 21 125.153 126.872 -1.719 1
1 176 . 13 1 1 A 21 21 ARG H H 21 8.806 8.966 -0.160 1
1 177 . 13 1 1 A 21 21 ARG CA C 21 56.532 53.681 2.851 1
1 178 . 13 1 1 A 21 21 ARG HA H 21 4.234 4.874 -0.640 1
1 179 . 13 1 1 A 21 21 ARG CB C 21 33.707 33.544 0.163 1
1 185 . 13 1 1 A 21 21 ARG C C 21 176.293 177.290 -0.997 1
1 189 . 13 1 1 A 22 22 GLU N N 22 132.286 123.650 8.636 1
1 190 . 13 1 1 A 22 22 GLU H H 22 9.887 8.906 0.981 1
1 191 . 13 1 1 A 22 22 GLU CA C 22 57.271 58.649 -1.378 1
1 192 . 13 1 1 A 22 22 GLU HA H 22 3.968 4.134 -0.166 1
1 193 . 13 1 1 A 22 22 GLU CB C 22 28.595 29.116 -0.521 1
1 197 . 13 1 1 A 22 22 GLU C C 22 175.219 176.876 -1.657 1
1 200 . 13 1 1 A 23 23 GLY N N 23 103.445 107.776 -4.331 1
1 201 . 13 1 1 A 23 23 GLY H H 23 8.570 8.000 0.570 1
1 202 . 13 1 1 A 23 23 GLY CA C 23 45.698 45.764 -0.066 1
1 203 . 13 1 1 A 23 23 GLY HA3 H 23 4.242 4.281 -0.039 1
1 204 . 13 1 1 A 23 23 GLY C C 23 173.517 174.037 -0.520 1
1 205 . 13 1 1 A 23 23 GLY HA2 H 23 3.658 4.276 -0.618 1
1 206 . 13 1 1 A 24 24 VAL N N 24 124.489 120.079 4.410 1
1 207 . 13 1 1 A 24 24 VAL H H 24 8.016 7.615 0.401 1
1 208 . 13 1 1 A 24 24 VAL CA C 24 61.341 62.638 -1.297 1
1 209 . 13 1 1 A 24 24 VAL HA H 24 4.780 3.939 0.841 1
1 210 . 13 1 1 A 24 24 VAL CB C 24 32.051 32.028 0.023 1
1 220 . 13 1 1 A 24 24 VAL C C 24 175.459 175.328 0.131 1
1 221 . 13 1 1 A 25 25 GLN N N 25 123.296 127.083 -3.787 1
1 222 . 13 1 1 A 25 25 GLN H H 25 8.446 8.706 -0.260 1
1 223 . 13 1 1 A 25 25 GLN CA C 25 53.879 54.257 -0.378 1
1 224 . 13 1 1 A 25 25 GLN HA H 25 5.378 5.153 0.225 1
1 225 . 13 1 1 A 25 25 GLN CB C 25 33.065 32.052 1.013 1
1 232 . 13 1 1 A 25 25 GLN C C 25 174.348 174.586 -0.238 1
1 235 . 13 1 1 A 26 26 LEU N N 26 120.847 124.958 -4.111 1
1 236 . 13 1 1 A 26 26 LEU H H 26 8.579 9.223 -0.644 1
1 237 . 13 1 1 A 26 26 LEU CA C 26 53.914 54.194 -0.280 1
1 238 . 13 1 1 A 26 26 LEU HA H 26 5.400 4.971 0.429 1
1 239 . 13 1 1 A 26 26 LEU CB C 26 47.336 45.767 1.569 1
1 251 . 13 1 1 A 26 26 LEU C C 26 174.842 175.041 -0.199 1
1 253 . 13 1 1 A 27 27 ASN N N 27 124.346 124.942 -0.596 1
1 254 . 13 1 1 A 27 27 ASN H H 27 8.738 8.624 0.114 1
1 255 . 13 1 1 A 27 27 ASN CA C 27 52.063 51.807 0.256 1
1 256 . 13 1 1 A 27 27 ASN HA H 27 5.542 5.482 0.060 1
1 257 . 13 1 1 A 27 27 ASN CB C 27 43.866 41.417 2.449 1
1 262 . 13 1 1 A 27 27 ASN C C 27 173.520 174.254 -0.734 1
1 264 . 13 1 1 A 28 28 LEU N N 28 124.198 124.266 -0.068 1
1 265 . 13 1 1 A 28 28 LEU H H 28 9.406 8.736 0.670 1
1 266 . 13 1 1 A 28 28 LEU CA C 28 53.773 53.461 0.312 1
1 267 . 13 1 1 A 28 28 LEU HA H 28 4.995 5.172 -0.177 1
1 268 . 13 1 1 A 28 28 LEU CB C 28 44.307 46.731 -2.424 1
1 280 . 13 1 1 A 28 28 LEU C C 28 174.670 174.152 0.518 1
1 282 . 13 1 1 A 29 29 SER N N 29 115.017 122.734 -7.717 1
1 283 . 13 1 1 A 29 29 SER H H 29 8.314 8.320 -0.006 1
1 284 . 13 1 1 A 29 29 SER CA C 29 56.340 57.294 -0.954 1
1 285 . 13 1 1 A 29 29 SER HA H 29 4.807 5.001 -0.194 1
1 286 . 13 1 1 A 29 29 SER CB C 29 65.926 65.342 0.584 1
1 288 . 13 1 1 A 29 29 SER C C 29 172.842 173.452 -0.610 1
1 290 . 13 1 1 A 30 30 PHE N N 30 119.941 124.200 -4.259 1
1 291 . 13 1 1 A 30 30 PHE H H 30 9.366 9.074 0.292 1
1 292 . 13 1 1 A 30 30 PHE CA C 30 57.047 56.584 0.463 1
1 293 . 13 1 1 A 30 30 PHE HA H 30 5.374 5.189 0.185 1
1 294 . 13 1 1 A 30 30 PHE CB C 30 44.307 40.962 3.345 1
1 306 . 13 1 1 A 30 30 PHE C C 30 175.242 175.043 0.199 1
1 308 . 13 1 1 A 31 31 ILE N N 31 122.161 122.670 -0.509 1
1 309 . 13 1 1 A 31 31 ILE H H 31 8.950 8.989 -0.039 1
1 310 . 13 1 1 A 31 31 ILE CA C 31 60.680 60.247 0.433 1
1 311 . 13 1 1 A 31 31 ILE HA H 31 4.338 4.932 -0.594 1
1 312 . 13 1 1 A 31 31 ILE CB C 31 42.354 40.838 1.516 1
1 324 . 13 1 1 A 31 31 ILE C C 31 174.368 175.616 -1.248 1
1 326 . 13 1 1 A 32 32 ARG N N 32 128.976 127.181 1.795 1
1 327 . 13 1 1 A 32 32 ARG H H 32 8.773 8.834 -0.061 1
1 328 . 13 1 1 A 32 32 ARG CA C 32 51.444 52.678 -1.234 1
1 329 . 13 1 1 A 32 32 ARG HA H 32 5.263 4.842 0.421 1
1 330 . 13 1 1 A 32 32 ARG CB C 32 29.600 31.584 -1.984 1
1 338 . 13 1 1 A 32 32 ARG C C 32 173.585 173.823 -0.238 1
1 342 . 13 1 1 A 33 33 PRO CA C 33 60.759 61.863 -1.104 1
1 343 . 13 1 1 A 33 33 PRO HA H 33 4.581 4.677 -0.096 1
1 344 . 13 1 1 A 33 33 PRO CB C 33 32.219 32.492 -0.273 1
1 353 . 13 1 1 A 34 34 PRO CA C 34 64.464 65.237 -0.773 1
1 354 . 13 1 1 A 34 34 PRO HA H 34 4.236 4.224 0.012 1
1 355 . 13 1 1 A 34 34 PRO CB C 34 31.997 32.061 -0.064 1
1 361 . 13 1 1 A 34 34 PRO C C 34 178.240 178.535 -0.295 1
1 365 . 13 1 1 A 35 35 GLU N N 35 115.025 116.245 -1.220 1
1 366 . 13 1 1 A 35 35 GLU H H 35 9.287 8.881 0.406 1
1 367 . 13 1 1 A 35 35 GLU CA C 35 57.753 58.899 -1.146 1
1 368 . 13 1 1 A 35 35 GLU HA H 35 4.205 4.146 0.059 1
1 369 . 13 1 1 A 35 35 GLU CB C 35 28.595 28.822 -0.227 1
1 373 . 13 1 1 A 35 35 GLU C C 35 176.471 176.854 -0.383 1
1 376 . 13 1 1 A 36 36 ASN N N 36 114.302 118.121 -3.819 1
1 377 . 13 1 1 A 36 36 ASN H H 36 7.257 7.909 -0.652 1
1 378 . 13 1 1 A 36 36 ASN CA C 36 50.593 50.232 0.361 1
1 379 . 13 1 1 A 36 36 ASN HA H 36 5.024 5.173 -0.149 1
1 380 . 13 1 1 A 36 36 ASN CB C 36 39.094 39.051 0.043 1
1 385 . 13 1 1 A 36 36 ASN C C 36 172.128 173.552 -1.424 1
1 387 . 13 1 1 A 37 37 PRO CA C 37 64.287 64.318 -0.031 1
1 388 . 13 1 1 A 37 37 PRO HA H 37 4.600 4.477 0.123 1
1 389 . 13 1 1 A 37 37 PRO CB C 37 32.235 31.878 0.357 1
1 394 . 13 1 1 A 37 37 PRO C C 37 176.707 177.795 -1.088 1
1 398 . 13 1 1 A 38 38 ALA N N 38 117.780 118.056 -0.276 1
1 399 . 13 1 1 A 38 38 ALA H H 38 7.596 7.938 -0.342 1
1 400 . 13 1 1 A 38 38 ALA CA C 38 52.674 52.733 -0.059 1
1 401 . 13 1 1 A 38 38 ALA HA H 38 4.262 4.394 -0.132 1
1 402 . 13 1 1 A 38 38 ALA CB C 38 19.201 19.583 -0.382 1
1 406 . 13 1 1 A 38 38 ALA C C 38 176.546 177.100 -0.554 1
1 407 . 13 1 1 A 39 39 LEU N N 39 122.870 121.180 1.690 1
1 408 . 13 1 1 A 39 39 LEU H H 39 7.963 7.225 0.738 1
1 409 . 13 1 1 A 39 39 LEU CA C 39 54.548 53.871 0.677 1
1 410 . 13 1 1 A 39 39 LEU HA H 39 4.953 4.920 0.033 1
1 411 . 13 1 1 A 39 39 LEU CB C 39 44.768 44.786 -0.018 1
1 423 . 13 1 1 A 39 39 LEU C C 39 173.627 175.523 -1.896 1
1 425 . 13 1 1 A 40 40 LEU N N 40 125.985 128.260 -2.275 1
1 426 . 13 1 1 A 40 40 LEU H H 40 9.247 9.273 -0.026 1
1 427 . 13 1 1 A 40 40 LEU CA C 40 53.914 53.766 0.148 1
1 428 . 13 1 1 A 40 40 LEU HA H 40 5.018 5.050 -0.032 1
1 429 . 13 1 1 A 40 40 LEU CB C 40 45.014 44.570 0.444 1
1 441 . 13 1 1 A 40 40 LEU C C 40 174.170 174.802 -0.632 1
1 443 . 13 1 1 A 41 41 LEU N N 41 125.906 128.783 -2.877 1
1 444 . 13 1 1 A 41 41 LEU H H 41 9.224 9.127 0.097 1
1 445 . 13 1 1 A 41 41 LEU CA C 41 53.190 53.939 -0.749 1
1 446 . 13 1 1 A 41 41 LEU HA H 41 5.222 4.985 0.237 1
1 447 . 13 1 1 A 41 41 LEU CB C 41 42.034 41.486 0.548 1
1 459 . 13 1 1 A 41 41 LEU C C 41 177.109 176.092 1.017 1
1 461 . 13 1 1 A 42 42 ILE N N 42 124.731 125.511 -0.780 1
1 462 . 13 1 1 A 42 42 ILE H H 42 9.087 9.039 0.048 1
1 463 . 13 1 1 A 42 42 ILE CA C 42 59.794 59.963 -0.169 1
1 464 . 13 1 1 A 42 42 ILE HA H 42 5.055 4.986 0.069 1
1 465 . 13 1 1 A 42 42 ILE CB C 42 41.019 40.482 0.537 1
1 477 . 13 1 1 A 42 42 ILE C C 42 175.074 175.023 0.051 1
1 479 . 13 1 1 A 43 43 THR N N 43 123.315 121.896 1.419 1
1 480 . 13 1 1 A 43 43 THR H H 43 8.589 8.616 -0.027 1
1 481 . 13 1 1 A 43 43 THR CA C 43 61.677 61.375 0.302 1
1 482 . 13 1 1 A 43 43 THR HA H 43 5.023 5.567 -0.544 1
1 483 . 13 1 1 A 43 43 THR CB C 43 69.838 72.584 -2.746 1
1 489 . 13 1 1 A 43 43 THR C C 43 174.993 173.356 1.637 1
1 490 . 13 1 1 A 44 44 ILE N N 44 126.677 124.654 2.023 1
1 491 . 13 1 1 A 44 44 ILE H H 44 9.329 9.058 0.271 1
1 492 . 13 1 1 A 44 44 ILE CA C 44 59.794 59.783 0.011 1
1 493 . 13 1 1 A 44 44 ILE HA H 44 4.953 5.127 -0.174 1
1 494 . 13 1 1 A 44 44 ILE CB C 44 38.754 40.840 -2.086 1
1 506 . 13 1 1 A 44 44 ILE C C 44 174.670 175.226 -0.556 1
1 508 . 13 1 1 A 45 45 THR N N 45 120.442 122.432 -1.990 1
1 509 . 13 1 1 A 45 45 THR H H 45 8.740 8.788 -0.048 1
1 510 . 13 1 1 A 45 45 THR CA C 45 61.579 61.271 0.308 1
1 511 . 13 1 1 A 45 45 THR HA H 45 5.266 4.777 0.489 1
1 512 . 13 1 1 A 45 45 THR CB C 45 70.338 70.129 0.209 1
1 518 . 13 1 1 A 45 45 THR C C 45 174.494 173.406 1.088 1
1 519 . 13 1 1 A 46 46 ALA N N 46 134.267 129.507 4.760 1
1 520 . 13 1 1 A 46 46 ALA H H 46 9.489 8.241 1.248 1
1 521 . 13 1 1 A 46 46 ALA CA C 46 49.846 51.064 -1.218 1
1 522 . 13 1 1 A 46 46 ALA HA H 46 5.554 4.641 0.913 1
1 523 . 13 1 1 A 46 46 ALA CB C 46 20.414 19.822 0.592 1
1 527 . 13 1 1 A 46 46 ALA C C 46 174.819 176.981 -2.162 1
1 528 . 13 1 1 A 47 47 THR N N 47 111.611 114.736 -3.125 1
1 529 . 13 1 1 A 47 47 THR H H 47 8.431 8.521 -0.090 1
1 530 . 13 1 1 A 47 47 THR CA C 47 59.331 59.945 -0.614 1
1 531 . 13 1 1 A 47 47 THR HA H 47 4.409 5.102 -0.693 1
1 532 . 13 1 1 A 47 47 THR CB C 47 71.655 70.766 0.889 1
1 538 . 13 1 1 A 47 47 THR C C 47 173.104 173.507 -0.403 1
1 539 . 13 1 1 A 48 48 ASN N N 48 117.087 122.687 -5.600 1
1 540 . 13 1 1 A 48 48 ASN H H 48 8.647 8.699 -0.052 1
1 541 . 13 1 1 A 48 48 ASN CA C 48 51.019 51.023 -0.004 1
1 542 . 13 1 1 A 48 48 ASN HA H 48 5.096 5.205 -0.109 1
1 543 . 13 1 1 A 48 48 ASN CB C 48 39.880 41.553 -1.673 1
1 548 . 13 1 1 A 48 48 ASN C C 48 173.769 174.391 -0.622 1
1 550 . 13 1 1 A 49 49 PHE N N 49 123.238 119.576 3.662 1
1 551 . 13 1 1 A 49 49 PHE H H 49 9.105 8.305 0.800 1
1 552 . 13 1 1 A 49 49 PHE CA C 49 57.422 58.889 -1.467 1
1 553 . 13 1 1 A 49 49 PHE HA H 49 4.601 4.677 -0.076 1
1 554 . 13 1 1 A 49 49 PHE CB C 49 38.770 40.906 -2.136 1
1 566 . 13 1 1 A 49 49 PHE C C 49 176.238 175.758 0.480 1
1 568 . 13 1 1 A 50 50 SER N N 50 118.477 114.278 4.199 1
1 569 . 13 1 1 A 50 50 SER H H 50 8.344 7.762 0.582 1
1 570 . 13 1 1 A 50 50 SER CA C 50 58.654 58.873 -0.219 1
1 571 . 13 1 1 A 50 50 SER HA H 50 4.933 4.503 0.430 1
1 572 . 13 1 1 A 50 50 SER CB C 50 66.611 64.320 2.291 1
1 573 . 13 1 1 A 50 50 SER C C 50 173.089 175.624 -2.535 1
1 574 . 13 1 1 A 51 51 GLU N N 51 114.036 123.628 -9.592 1
1 575 . 13 1 1 A 51 51 GLU H H 51 9.051 9.029 0.022 1
1 576 . 13 1 1 A 51 51 GLU CA C 51 56.701 59.133 -2.432 1
1 577 . 13 1 1 A 51 51 GLU HA H 51 4.358 4.187 0.171 1
1 578 . 13 1 1 A 51 51 GLU CB C 51 30.323 29.527 0.796 1
1 582 . 13 1 1 A 51 51 GLU C C 51 175.603 177.497 -1.894 1
1 585 . 13 1 1 A 52 52 GLY N N 52 109.625 107.899 1.726 1
1 586 . 13 1 1 A 52 52 GLY H H 52 8.525 7.406 1.119 1
1 587 . 13 1 1 A 52 52 GLY CA C 52 44.267 44.400 -0.133 1
1 588 . 13 1 1 A 52 52 GLY HA3 H 52 4.505 3.687 0.818 1
1 589 . 13 1 1 A 52 52 GLY C C 52 173.168 172.450 0.718 1
1 590 . 13 1 1 A 52 52 GLY HA2 H 52 2.842 2.368 0.474 1
1 591 . 13 1 1 A 53 53 ASP N N 53 125.175 123.451 1.724 1
1 592 . 13 1 1 A 53 53 ASP H H 53 9.001 8.417 0.584 1
1 593 . 13 1 1 A 53 53 ASP CA C 53 55.793 54.589 1.204 1
1 594 . 13 1 1 A 53 53 ASP HA H 53 4.082 4.746 -0.664 1
1 595 . 13 1 1 A 53 53 ASP CB C 53 40.522 42.022 -1.500 1
1 597 . 13 1 1 A 53 53 ASP C C 53 176.506 175.696 0.810 1
1 599 . 13 1 1 A 54 54 VAL N N 54 125.250 121.223 4.027 1
1 600 . 13 1 1 A 54 54 VAL H H 54 7.873 7.865 0.008 1
1 601 . 13 1 1 A 54 54 VAL CA C 54 61.350 61.263 0.087 1
1 602 . 13 1 1 A 54 54 VAL HA H 54 4.759 4.851 -0.092 1
1 603 . 13 1 1 A 54 54 VAL CB C 54 32.808 33.493 -0.685 1
1 613 . 13 1 1 A 54 54 VAL C C 54 176.126 175.447 0.679 1
1 614 . 13 1 1 A 55 55 THR N N 55 116.888 116.981 -0.093 1
1 615 . 13 1 1 A 55 55 THR H H 55 9.004 8.554 0.450 1
1 616 . 13 1 1 A 55 55 THR CA C 55 59.194 59.844 -0.650 1
1 617 . 13 1 1 A 55 55 THR HA H 55 4.920 4.886 0.034 1
1 618 . 13 1 1 A 55 55 THR CB C 55 72.508 71.847 0.661 1
1 624 . 13 1 1 A 55 55 THR C C 55 173.166 173.995 -0.829 1
1 625 . 13 1 1 A 56 56 HIS N N 56 115.667 119.743 -4.076 1
1 626 . 13 1 1 A 56 56 HIS H H 56 9.193 8.938 0.255 1
1 627 . 13 1 1 A 56 56 HIS CA C 56 56.363 56.611 -0.248 1
1 628 . 13 1 1 A 56 56 HIS HA H 56 4.153 4.234 -0.081 1
1 629 . 13 1 1 A 56 56 HIS CB C 56 26.923 28.049 -1.126 1
1 635 . 13 1 1 A 56 56 HIS C C 56 173.611 174.809 -1.198 1
1 637 . 13 1 1 A 57 57 PHE N N 57 118.625 118.617 0.008 1
1 638 . 13 1 1 A 57 57 PHE H H 57 8.932 8.113 0.819 1
1 639 . 13 1 1 A 57 57 PHE CA C 57 59.503 57.716 1.787 1
1 640 . 13 1 1 A 57 57 PHE HA H 57 4.819 4.701 0.118 1
1 641 . 13 1 1 A 57 57 PHE CB C 57 39.871 40.129 -0.258 1
1 653 . 13 1 1 A 57 57 PHE C C 57 176.025 174.384 1.641 1
1 655 . 13 1 1 A 58 58 ILE N N 58 131.418 127.433 3.985 1
1 656 . 13 1 1 A 58 58 ILE H H 58 8.989 8.481 0.508 1
1 657 . 13 1 1 A 58 58 ILE CA C 58 61.138 59.941 1.197 1
1 658 . 13 1 1 A 58 58 ILE HA H 58 4.001 4.348 -0.347 1
1 659 . 13 1 1 A 58 58 ILE CB C 58 41.349 40.614 0.735 1
1 671 . 13 1 1 A 58 58 ILE C C 58 173.046 173.833 -0.787 1
1 673 . 13 1 1 A 59 59 CYS N N 59 126.838 127.812 -0.974 1
1 674 . 13 1 1 A 59 59 CYS H H 59 8.844 8.648 0.196 1
1 675 . 13 1 1 A 59 59 CYS CA C 59 56.902 56.988 -0.086 1
1 676 . 13 1 1 A 59 59 CYS HA H 59 5.044 4.880 0.164 1
1 677 . 13 1 1 A 59 59 CYS CB C 59 28.363 28.378 -0.015 1
1 679 . 13 1 1 A 59 59 CYS C C 59 173.375 173.755 -0.380 1
1 681 . 13 1 1 A 60 60 GLN N N 60 126.903 127.228 -0.325 1
1 682 . 13 1 1 A 60 60 GLN H H 60 8.929 8.538 0.391 1
1 683 . 13 1 1 A 60 60 GLN CA C 60 54.162 54.486 -0.324 1
1 684 . 13 1 1 A 60 60 GLN HA H 60 4.656 5.122 -0.466 1
1 685 . 13 1 1 A 60 60 GLN CB C 60 31.991 31.312 0.679 1
1 691 . 13 1 1 A 60 60 GLN C C 60 174.000 174.847 -0.847 1
1 694 . 13 1 1 A 61 61 ALA N N 61 124.049 121.631 2.418 1
1 695 . 13 1 1 A 61 61 ALA H H 61 8.178 8.545 -0.367 1
1 696 . 13 1 1 A 61 61 ALA CA C 61 50.160 51.174 -1.014 1
1 697 . 13 1 1 A 61 61 ALA HA H 61 5.192 5.169 0.023 1
1 698 . 13 1 1 A 61 61 ALA CB C 61 23.419 23.793 -0.374 1
1 702 . 13 1 1 A 61 61 ALA C C 61 175.076 175.230 -0.154 1
1 703 . 13 1 1 A 62 62 ALA N N 62 121.362 121.143 0.219 1
1 704 . 13 1 1 A 62 62 ALA H H 62 8.488 8.451 0.037 1
1 705 . 13 1 1 A 62 62 ALA CA C 62 51.309 51.232 0.077 1
1 706 . 13 1 1 A 62 62 ALA HA H 62 4.667 5.151 -0.484 1
1 707 . 13 1 1 A 62 62 ALA CB C 62 22.617 22.769 -0.152 1
1 711 . 13 1 1 A 62 62 ALA C C 62 176.013 175.977 0.036 1
1 712 . 13 1 1 A 63 63 VAL N N 63 113.572 114.863 -1.291 1
1 713 . 13 1 1 A 63 63 VAL H H 63 8.271 8.645 -0.374 1
1 714 . 13 1 1 A 63 63 VAL CA C 63 57.691 57.789 -0.098 1
1 715 . 13 1 1 A 63 63 VAL HA H 63 5.045 4.933 0.112 1
1 716 . 13 1 1 A 63 63 VAL CB C 63 32.968 34.378 -1.410 1
1 726 . 13 1 1 A 63 63 VAL C C 63 173.707 173.225 0.482 1
1 727 . 13 1 1 A 64 64 PRO CA C 64 62.757 62.508 0.249 1
1 728 . 13 1 1 A 64 64 PRO HA H 64 4.459 4.635 -0.176 1
1 729 . 13 1 1 A 64 64 PRO CB C 64 32.728 32.559 0.169 1
1 735 . 13 1 1 A 64 64 PRO C C 64 176.348 177.785 -1.437 1
1 739 . 13 1 1 A 65 65 LYS N N 65 118.624 123.932 -5.308 1
1 740 . 13 1 1 A 65 65 LYS H H 65 8.323 8.538 -0.215 1
1 741 . 13 1 1 A 65 65 LYS CA C 65 58.516 59.846 -1.330 1
1 742 . 13 1 1 A 65 65 LYS HA H 65 4.183 3.861 0.322 1
1 743 . 13 1 1 A 65 65 LYS CB C 65 32.320 32.135 0.185 1
1 751 . 13 1 1 A 65 65 LYS C C 65 176.595 178.648 -2.053 1
1 756 . 13 1 1 A 66 66 SER N N 66 111.762 116.240 -4.478 1
1 757 . 13 1 1 A 66 66 SER H H 66 7.779 8.023 -0.244 1
1 758 . 13 1 1 A 66 66 SER CA C 66 59.298 62.370 -3.072 1
1 759 . 13 1 1 A 66 66 SER HA H 66 4.234 4.126 0.108 1
1 760 . 13 1 1 A 66 66 SER CB C 66 62.984 62.833 0.151 1
1 762 . 13 1 1 A 66 66 SER C C 66 174.137 174.904 -0.767 1
1 764 . 13 1 1 A 67 67 LEU N N 67 124.569 118.351 6.218 1
1 765 . 13 1 1 A 67 67 LEU H H 67 8.109 8.000 0.109 1
1 766 . 13 1 1 A 67 67 LEU CA C 67 54.940 53.014 1.926 1
1 767 . 13 1 1 A 67 67 LEU HA H 67 4.836 4.980 -0.144 1
1 768 . 13 1 1 A 67 67 LEU CB C 67 43.882 44.236 -0.354 1
1 780 . 13 1 1 A 67 67 LEU C C 67 174.925 175.769 -0.844 1
1 782 . 13 1 1 A 68 68 GLN N N 68 117.163 120.580 -3.417 1
1 783 . 13 1 1 A 68 68 GLN H H 68 8.063 8.745 -0.682 1
1 784 . 13 1 1 A 68 68 GLN CA C 68 54.829 54.025 0.804 1
1 785 . 13 1 1 A 68 68 GLN HA H 68 4.674 5.188 -0.514 1
1 786 . 13 1 1 A 68 68 GLN CB C 68 31.579 32.605 -1.026 1
1 793 . 13 1 1 A 68 68 GLN C C 68 174.077 173.864 0.213 1
1 796 . 13 1 1 A 69 69 LEU N N 69 126.046 124.161 1.885 1
1 797 . 13 1 1 A 69 69 LEU H H 69 8.676 8.847 -0.171 1
1 798 . 13 1 1 A 69 69 LEU CA C 69 54.073 54.156 -0.083 1
1 799 . 13 1 1 A 69 69 LEU HA H 69 5.231 5.110 0.121 1
1 800 . 13 1 1 A 69 69 LEU CB C 69 45.602 46.077 -0.475 1
1 811 . 13 1 1 A 69 69 LEU C C 69 175.497 174.350 1.147 1
1 813 . 13 1 1 A 70 70 GLN N N 70 126.758 126.174 0.584 1
1 814 . 13 1 1 A 70 70 GLN H H 70 9.410 9.089 0.321 1
1 815 . 13 1 1 A 70 70 GLN CA C 70 54.657 54.286 0.371 1
1 816 . 13 1 1 A 70 70 GLN HA H 70 4.746 5.014 -0.268 1
1 817 . 13 1 1 A 70 70 GLN CB C 70 31.537 32.173 -0.636 1
1 824 . 13 1 1 A 70 70 GLN C C 70 174.686 174.033 0.653 1
1 827 . 13 1 1 A 71 71 LEU N N 71 126.413 128.420 -2.007 1
1 828 . 13 1 1 A 71 71 LEU H H 71 8.936 8.738 0.198 1
1 829 . 13 1 1 A 71 71 LEU CA C 71 55.294 54.197 1.097 1
1 830 . 13 1 1 A 71 71 LEU HA H 71 4.752 4.536 0.216 1
1 831 . 13 1 1 A 71 71 LEU CB C 71 43.898 43.109 0.789 1
1 843 . 13 1 1 A 71 71 LEU C C 71 176.498 175.434 1.064 1
1 845 . 13 1 1 A 72 72 GLN N N 72 121.553 127.424 -5.871 1
1 846 . 13 1 1 A 72 72 GLN H H 72 8.100 8.012 0.088 1
1 847 . 13 1 1 A 72 72 GLN CA C 72 54.209 55.152 -0.943 1
1 848 . 13 1 1 A 72 72 GLN HA H 72 4.589 4.353 0.236 1
1 849 . 13 1 1 A 72 72 GLN CB C 72 31.142 29.939 1.203 1
1 856 . 13 1 1 A 72 72 GLN C C 72 174.254 175.880 -1.626 1
1 859 . 13 1 1 A 73 73 ALA N N 73 124.262 127.280 -3.018 1
1 860 . 13 1 1 A 73 73 ALA H H 73 8.452 8.360 0.092 1
1 861 . 13 1 1 A 73 73 ALA CA C 73 51.211 50.529 0.682 1
1 862 . 13 1 1 A 73 73 ALA HA H 73 4.500 4.239 0.261 1
1 863 . 13 1 1 A 73 73 ALA CB C 73 17.185 19.574 -2.389 1
1 867 . 13 1 1 A 73 73 ALA C C 73 176.548 175.931 0.617 1
1 868 . 13 1 1 A 74 74 PRO CA C 74 62.160 62.453 -0.293 1
1 869 . 13 1 1 A 74 74 PRO HA H 74 4.848 4.562 0.286 1
1 870 . 13 1 1 A 74 74 PRO CB C 74 32.897 33.194 -0.297 1
1 874 . 13 1 1 A 74 74 PRO C C 74 177.266 176.773 0.493 1
1 878 . 13 1 1 A 75 75 SER N N 75 115.398 115.404 -0.006 1
1 879 . 13 1 1 A 75 75 SER H H 75 9.293 8.718 0.575 1
1 880 . 13 1 1 A 75 75 SER CA C 75 61.024 60.070 0.954 1
1 881 . 13 1 1 A 75 75 SER HA H 75 4.154 4.422 -0.268 1
1 882 . 13 1 1 A 75 75 SER CB C 75 62.867 63.695 -0.828 1
1 884 . 13 1 1 A 75 75 SER C C 75 174.460 174.321 0.139 1
1 886 . 13 1 1 A 76 76 GLY N N 76 106.233 105.603 0.630 1
1 887 . 13 1 1 A 76 76 GLY H H 76 7.208 7.300 -0.092 1
1 888 . 13 1 1 A 76 76 GLY CA C 76 44.930 45.934 -1.004 1
1 889 . 13 1 1 A 76 76 GLY HA3 H 76 4.306 4.040 0.266 1
1 890 . 13 1 1 A 76 76 GLY C C 76 171.327 172.381 -1.054 1
1 891 . 13 1 1 A 76 76 GLY HA2 H 76 4.095 4.032 0.063 1
1 892 . 13 1 1 A 77 77 ASN CA C 77 53.060 53.050 0.010 1
1 893 . 13 1 1 A 77 77 ASN HA H 77 5.001 4.986 0.015 1
1 894 . 13 1 1 A 77 77 ASN CB C 77 40.650 38.677 1.973 1
1 899 . 13 1 1 A 77 77 ASN C C 77 173.427 173.483 -0.056 1
1 901 . 13 1 1 A 78 78 THR N N 78 114.705 114.470 0.235 1
1 902 . 13 1 1 A 78 78 THR H H 78 7.579 7.540 0.039 1
1 903 . 13 1 1 A 78 78 THR CA C 78 59.766 61.387 -1.621 1
1 904 . 13 1 1 A 78 78 THR HA H 78 5.174 5.032 0.142 1
1 905 . 13 1 1 A 78 78 THR CB C 78 71.855 72.676 -0.821 1
1 911 . 13 1 1 A 78 78 THR C C 78 173.138 173.364 -0.226 1
1 912 . 13 1 1 A 79 79 VAL N N 79 123.606 125.181 -1.575 1
1 913 . 13 1 1 A 79 79 VAL H H 79 8.696 8.949 -0.253 1
1 914 . 13 1 1 A 79 79 VAL CA C 79 58.982 59.065 -0.083 1
1 915 . 13 1 1 A 79 79 VAL HA H 79 4.495 4.583 -0.088 1
1 916 . 13 1 1 A 79 79 VAL CB C 79 32.717 35.309 -2.592 1
1 926 . 13 1 1 A 79 79 VAL C C 79 174.289 173.953 0.336 1
1 927 . 13 1 1 A 80 80 PRO CA C 80 63.184 62.377 0.807 1
1 928 . 13 1 1 A 80 80 PRO HA H 80 4.160 4.747 -0.587 1
1 929 . 13 1 1 A 80 80 PRO CB C 80 33.128 31.953 1.175 1
1 935 . 13 1 1 A 80 80 PRO C C 80 174.009 177.663 -3.654 1
1 939 . 13 1 1 A 81 81 ALA N N 81 120.000 127.273 -7.273 1
1 940 . 13 1 1 A 81 81 ALA H H 81 8.371 8.190 0.181 1
1 941 . 13 1 1 A 81 81 ALA CA C 81 51.951 53.437 -1.486 1
1 942 . 13 1 1 A 81 81 ALA HA H 81 3.715 4.177 -0.462 1
1 943 . 13 1 1 A 81 81 ALA CB C 81 20.029 18.854 1.175 1
1 947 . 13 1 1 A 81 81 ALA C C 81 176.740 177.731 -0.991 1
1 948 . 13 1 1 A 82 82 ARG N N 82 111.901 115.358 -3.457 1
1 949 . 13 1 1 A 82 82 ARG H H 82 8.724 7.810 0.914 1
1 950 . 13 1 1 A 82 82 ARG CA C 82 57.062 55.318 1.744 1
1 951 . 13 1 1 A 82 82 ARG HA H 82 3.665 4.462 -0.797 1
1 952 . 13 1 1 A 82 82 ARG CB C 82 26.959 29.557 -2.598 1
1 958 . 13 1 1 A 82 82 ARG C C 82 176.777 177.012 -0.235 1
1 962 . 13 1 1 A 83 83 GLY N N 83 107.610 108.516 -0.906 1
1 963 . 13 1 1 A 83 83 GLY H H 83 9.251 8.127 1.124 1
1 964 . 13 1 1 A 83 83 GLY CA C 83 46.389 47.207 -0.818 1
1 965 . 13 1 1 A 83 83 GLY HA3 H 83 3.731 4.180 -0.449 1
1 966 . 13 1 1 A 83 83 GLY C C 83 176.193 175.034 1.159 1
1 967 . 13 1 1 A 83 83 GLY HA2 H 83 3.352 4.047 -0.695 1
1 968 . 13 1 1 A 84 84 GLY N N 84 106.030 107.536 -1.506 1
1 969 . 13 1 1 A 84 84 GLY H H 84 7.015 8.159 -1.144 1
1 970 . 13 1 1 A 84 84 GLY CA C 84 45.272 44.589 0.683 1
1 971 . 13 1 1 A 84 84 GLY HA3 H 84 3.537 4.053 -0.516 1
1 972 . 13 1 1 A 84 84 GLY C C 84 171.651 173.687 -2.036 1
1 973 . 13 1 1 A 84 84 GLY HA2 H 84 3.891 4.043 -0.152 1
1 974 . 13 1 1 A 85 85 LEU N N 85 120.524 121.752 -1.228 1
1 975 . 13 1 1 A 85 85 LEU H H 85 7.903 8.041 -0.138 1
1 976 . 13 1 1 A 85 85 LEU CA C 85 53.494 51.031 2.463 1
1 977 . 13 1 1 A 85 85 LEU HA H 85 4.346 4.962 -0.616 1
1 978 . 13 1 1 A 85 85 LEU CB C 85 42.901 45.413 -2.512 1
1 990 . 13 1 1 A 85 85 LEU C C 85 174.362 174.842 -0.480 1
1 992 . 13 1 1 A 86 86 PRO CA C 86 62.752 62.251 0.501 1
1 993 . 13 1 1 A 86 86 PRO HA H 86 4.570 4.604 -0.034 1
1 994 . 13 1 1 A 86 86 PRO CB C 86 33.557 32.633 0.924 1
1 1000 . 13 1 1 A 86 86 PRO C C 86 178.338 175.363 2.975 1
1 1004 . 13 1 1 A 87 87 ILE N N 87 118.504 121.606 -3.102 1
1 1005 . 13 1 1 A 87 87 ILE H H 87 7.544 8.411 -0.867 1
1 1006 . 13 1 1 A 87 87 ILE CA C 87 60.571 60.633 -0.062 1
1 1007 . 13 1 1 A 87 87 ILE HA H 87 4.021 4.553 -0.532 1
1 1008 . 13 1 1 A 87 87 ILE CB C 87 40.787 39.288 1.499 1
1 1020 . 13 1 1 A 87 87 ILE C C 87 175.620 175.616 0.004 1
1 1022 . 13 1 1 A 88 88 THR N N 88 115.839 119.715 -3.876 1
1 1023 . 13 1 1 A 88 88 THR H H 88 8.788 9.184 -0.396 1
1 1024 . 13 1 1 A 88 88 THR CA C 88 58.935 60.626 -1.691 1
1 1025 . 13 1 1 A 88 88 THR HA H 88 5.678 5.714 -0.036 1
1 1026 . 13 1 1 A 88 88 THR CB C 88 72.532 70.784 1.748 1
1 1032 . 13 1 1 A 88 88 THR C C 88 174.318 173.646 0.672 1
1 1033 . 13 1 1 A 89 89 GLN N N 89 121.295 122.466 -1.171 1
1 1034 . 13 1 1 A 89 89 GLN H H 89 8.399 8.999 -0.600 1
1 1035 . 13 1 1 A 89 89 GLN CA C 89 56.259 54.495 1.764 1
1 1036 . 13 1 1 A 89 89 GLN HA H 89 4.528 4.942 -0.414 1
1 1037 . 13 1 1 A 89 89 GLN CB C 89 30.760 32.307 -1.547 1
1 1044 . 13 1 1 A 89 89 GLN C C 89 172.439 174.072 -1.633 1
1 1047 . 13 1 1 A 90 90 LEU N N 90 129.715 124.216 5.499 1
1 1048 . 13 1 1 A 90 90 LEU H H 90 8.426 8.401 0.025 1
1 1049 . 13 1 1 A 90 90 LEU CA C 90 54.513 53.132 1.381 1
1 1050 . 13 1 1 A 90 90 LEU HA H 90 5.103 5.205 -0.102 1
1 1051 . 13 1 1 A 90 90 LEU CB C 90 44.412 45.187 -0.775 1
1 1063 . 13 1 1 A 90 90 LEU C C 90 175.027 173.931 1.096 1
1 1065 . 13 1 1 A 91 91 PHE N N 91 123.227 123.998 -0.771 1
1 1066 . 13 1 1 A 91 91 PHE H H 91 9.647 8.759 0.888 1
1 1067 . 13 1 1 A 91 91 PHE CA C 91 55.327 56.295 -0.968 1
1 1068 . 13 1 1 A 91 91 PHE HA H 91 5.064 5.474 -0.410 1
1 1069 . 13 1 1 A 91 91 PHE CB C 91 40.899 42.293 -1.394 1
1 1081 . 13 1 1 A 91 91 PHE C C 91 174.296 174.716 -0.420 1
1 1083 . 13 1 1 A 92 92 ARG N N 92 121.174 123.403 -2.229 1
1 1084 . 13 1 1 A 92 92 ARG H H 92 8.726 8.940 -0.214 1
1 1085 . 13 1 1 A 92 92 ARG CA C 92 55.046 55.945 -0.899 1
1 1086 . 13 1 1 A 92 92 ARG HA H 92 5.109 4.810 0.299 1
1 1087 . 13 1 1 A 92 92 ARG CB C 92 32.524 31.149 1.375 1
1 1093 . 13 1 1 A 92 92 ARG C C 92 175.154 175.195 -0.041 1
1 1097 . 13 1 1 A 93 93 ILE N N 93 126.629 124.905 1.724 1
1 1098 . 13 1 1 A 93 93 ILE H H 93 9.599 8.773 0.826 1
1 1099 . 13 1 1 A 93 93 ILE CA C 93 59.538 59.849 -0.311 1
1 1100 . 13 1 1 A 93 93 ILE HA H 93 5.206 5.300 -0.094 1
1 1101 . 13 1 1 A 93 93 ILE CB C 93 40.963 41.615 -0.652 1
1 1113 . 13 1 1 A 93 93 ILE C C 93 174.400 174.593 -0.193 1
1 1115 . 13 1 1 A 94 94 LEU N N 94 127.940 127.641 0.299 1
1 1116 . 13 1 1 A 94 94 LEU H H 94 8.853 8.946 -0.093 1
1 1117 . 13 1 1 A 94 94 LEU CA C 94 53.673 53.313 0.360 1
1 1118 . 13 1 1 A 94 94 LEU HA H 94 5.152 5.129 0.023 1
1 1119 . 13 1 1 A 94 94 LEU CB C 94 44.245 43.132 1.113 1
1 1131 . 13 1 1 A 94 94 LEU C C 94 176.106 175.792 0.314 1
1 1133 . 13 1 1 A 95 95 ASN N N 95 119.567 122.872 -3.305 1
1 1134 . 13 1 1 A 95 95 ASN H H 95 9.271 9.184 0.087 1
1 1135 . 13 1 1 A 95 95 ASN CA C 95 49.634 50.871 -1.237 1
1 1136 . 13 1 1 A 95 95 ASN HA H 95 5.361 5.275 0.086 1
1 1137 . 13 1 1 A 95 95 ASN CB C 95 39.189 39.181 0.008 1
1 1142 . 13 1 1 A 95 95 ASN C C 95 173.779 173.962 -0.183 1
1 1144 . 13 1 1 A 96 96 PRO CA C 96 64.795 64.483 0.312 1
1 1145 . 13 1 1 A 96 96 PRO HA H 96 4.306 4.471 -0.165 1
1 1146 . 13 1 1 A 96 96 PRO CB C 96 32.010 31.964 0.046 1
1 1152 . 13 1 1 A 96 96 PRO C C 96 177.656 177.648 0.008 1
1 1156 . 13 1 1 A 97 97 ASN N N 97 114.343 114.435 -0.092 1
1 1157 . 13 1 1 A 97 97 ASN H H 97 8.840 7.868 0.972 1
1 1158 . 13 1 1 A 97 97 ASN CA C 97 52.889 52.855 0.034 1
1 1159 . 13 1 1 A 97 97 ASN HA H 97 4.828 4.810 0.018 1
1 1160 . 13 1 1 A 97 97 ASN CB C 97 38.085 38.686 -0.601 1
1 1165 . 13 1 1 A 97 97 ASN C C 97 174.361 174.513 -0.152 1
1 1167 . 13 1 1 A 98 98 LYS N N 98 118.175 116.029 2.146 1
1 1168 . 13 1 1 A 98 98 LYS H H 98 7.735 7.575 0.160 1
1 1169 . 13 1 1 A 98 98 LYS CA C 98 57.625 57.256 0.369 1
1 1170 . 13 1 1 A 98 98 LYS HA H 98 3.780 3.889 -0.109 1
1 1171 . 13 1 1 A 98 98 LYS CB C 98 29.343 29.975 -0.632 1
1 1179 . 13 1 1 A 98 98 LYS C C 98 174.779 174.843 -0.064 1
1 1184 . 13 1 1 A 99 99 ALA N N 99 122.321 121.080 1.241 1
1 1185 . 13 1 1 A 99 99 ALA H H 99 8.454 7.854 0.600 1
1 1186 . 13 1 1 A 99 99 ALA CA C 99 49.893 48.920 0.973 1
1 1187 . 13 1 1 A 99 99 ALA HA H 99 4.415 4.787 -0.372 1
1 1188 . 13 1 1 A 99 99 ALA CB C 99 18.125 20.730 -2.605 1
1 1192 . 13 1 1 A 99 99 ALA C C 99 175.018 175.928 -0.910 1
1 1193 . 13 1 1 A 100 100 PRO CA C 100 62.082 62.318 -0.236 1
1 1194 . 13 1 1 A 100 100 PRO CB C 100 31.068 29.489 1.579 1
1 1203 . 13 1 1 A 101 101 LEU H H 101 5.223 8.293 -3.070 1
1 1204 . 13 1 1 A 101 101 LEU CA C 101 55.181 53.410 1.771 1
1 1205 . 13 1 1 A 101 101 LEU HA H 101 3.758 4.809 -1.051 1
1 1206 . 13 1 1 A 101 101 LEU CB C 101 43.103 42.731 0.372 1
1 1218 . 13 1 1 A 101 101 LEU C C 101 174.350 176.148 -1.798 1
1 1220 . 13 1 1 A 102 102 ARG N N 102 122.304 118.960 3.344 1
1 1221 . 13 1 1 A 102 102 ARG H H 102 6.412 8.315 -1.903 1
1 1222 . 13 1 1 A 102 102 ARG CA C 102 54.659 53.986 0.673 1
1 1223 . 13 1 1 A 102 102 ARG HA H 102 4.500 4.958 -0.458 1
1 1224 . 13 1 1 A 102 102 ARG CB C 102 33.168 33.656 -0.488 1
1 1230 . 13 1 1 A 102 102 ARG C C 102 173.625 174.703 -1.078 1
1 1234 . 13 1 1 A 103 103 LEU N N 103 119.849 123.607 -3.758 1
1 1235 . 13 1 1 A 103 103 LEU H H 103 8.301 8.820 -0.519 1
1 1236 . 13 1 1 A 103 103 LEU CA C 103 53.667 53.670 -0.003 1
1 1237 . 13 1 1 A 103 103 LEU HA H 103 4.886 5.054 -0.168 1
1 1238 . 13 1 1 A 103 103 LEU CB C 103 47.097 46.444 0.653 1
1 1250 . 13 1 1 A 103 103 LEU C C 103 173.874 173.707 0.167 1
1 1252 . 13 1 1 A 104 104 LYS N N 104 126.165 127.116 -0.951 1
1 1253 . 13 1 1 A 104 104 LYS H H 104 8.516 8.808 -0.292 1
1 1254 . 13 1 1 A 104 104 LYS CA C 104 55.117 54.542 0.575 1
1 1255 . 13 1 1 A 104 104 LYS HA H 104 4.773 5.137 -0.364 1
1 1256 . 13 1 1 A 104 104 LYS CB C 104 34.581 35.280 -0.699 1
1 1264 . 13 1 1 A 104 104 LYS C C 104 174.980 174.899 0.081 1
1 1269 . 13 1 1 A 105 105 LEU N N 105 125.172 126.616 -1.444 1
1 1270 . 13 1 1 A 105 105 LEU H H 105 8.586 8.556 0.030 1
1 1271 . 13 1 1 A 105 105 LEU CA C 105 53.059 53.058 0.001 1
1 1272 . 13 1 1 A 105 105 LEU HA H 105 4.923 4.916 0.007 1
1 1273 . 13 1 1 A 105 105 LEU CB C 105 44.358 44.149 0.209 1
1 1285 . 13 1 1 A 105 105 LEU C C 105 174.037 174.842 -0.805 1
1 1287 . 13 1 1 A 106 106 ARG N N 106 119.880 125.741 -5.861 1
1 1288 . 13 1 1 A 106 106 ARG H H 106 8.363 9.098 -0.735 1
1 1289 . 13 1 1 A 106 106 ARG CA C 106 54.374 54.278 0.096 1
1 1290 . 13 1 1 A 106 106 ARG HA H 106 4.926 4.925 0.001 1
1 1291 . 13 1 1 A 106 106 ARG CB C 106 32.783 33.093 -0.310 1
1 1297 . 13 1 1 A 106 106 ARG C C 106 174.611 174.298 0.313 1
1 1301 . 13 1 1 A 107 107 LEU N N 107 128.498 128.345 0.153 1
1 1302 . 13 1 1 A 107 107 LEU H H 107 9.260 8.640 0.620 1
1 1303 . 13 1 1 A 107 107 LEU CA C 107 52.942 53.429 -0.487 1
1 1304 . 13 1 1 A 107 107 LEU HA H 107 5.110 5.325 -0.215 1
1 1305 . 13 1 1 A 107 107 LEU CB C 107 45.279 43.706 1.573 1
1 1317 . 13 1 1 A 107 107 LEU C C 107 175.494 175.939 -0.445 1
1 1319 . 13 1 1 A 108 108 THR N N 108 114.947 116.277 -1.330 1
1 1320 . 13 1 1 A 108 108 THR H H 108 8.424 8.509 -0.085 1
1 1321 . 13 1 1 A 108 108 THR CA C 108 59.201 60.547 -1.346 1
1 1322 . 13 1 1 A 108 108 THR HA H 108 5.344 5.336 0.008 1
1 1323 . 13 1 1 A 108 108 THR CB C 108 71.413 70.995 0.418 1
1 1329 . 13 1 1 A 108 108 THR C C 108 172.424 173.116 -0.692 1
1 1330 . 13 1 1 A 109 109 TYR N N 109 114.691 120.250 -5.559 1
1 1331 . 13 1 1 A 109 109 TYR H H 109 8.056 8.528 -0.472 1
1 1332 . 13 1 1 A 109 109 TYR CA C 109 57.133 55.940 1.193 1
1 1333 . 13 1 1 A 109 109 TYR HA H 109 4.769 5.222 -0.453 1
1 1334 . 13 1 1 A 109 109 TYR CB C 109 38.008 40.470 -2.462 1
1 1344 . 13 1 1 A 109 109 TYR C C 109 171.790 171.929 -0.139 1
1 1346 . 13 1 1 A 110 110 ASP N N 110 119.179 120.030 -0.851 1
1 1347 . 13 1 1 A 110 110 ASP H H 110 9.332 8.968 0.364 1
1 1348 . 13 1 1 A 110 110 ASP CA C 110 53.147 53.314 -0.167 1
1 1349 . 13 1 1 A 110 110 ASP HA H 110 5.855 5.626 0.229 1
1 1350 . 13 1 1 A 110 110 ASP CB C 110 42.179 43.519 -1.340 1
1 1352 . 13 1 1 A 110 110 ASP C C 110 176.257 174.457 1.800 1
1 1354 . 13 1 1 A 111 111 HIS N N 111 122.092 123.863 -1.771 1
1 1355 . 13 1 1 A 111 111 HIS H H 111 8.993 9.251 -0.258 1
1 1356 . 13 1 1 A 111 111 HIS CA C 111 55.365 55.045 0.320 1
1 1357 . 13 1 1 A 111 111 HIS HA H 111 4.768 5.046 -0.278 1
1 1358 . 13 1 1 A 111 111 HIS CB C 111 36.414 32.860 3.554 1
1 1364 . 13 1 1 A 111 111 HIS C C 111 175.420 174.412 1.008 1
1 1366 . 13 1 1 A 112 112 PHE N N 112 129.361 122.658 6.703 1
1 1367 . 13 1 1 A 112 112 PHE H H 112 10.128 9.155 0.973 1
1 1368 . 13 1 1 A 112 112 PHE CA C 112 59.353 58.716 0.637 1
1 1369 . 13 1 1 A 112 112 PHE HA H 112 3.972 4.083 -0.111 1
1 1370 . 13 1 1 A 112 112 PHE CB C 112 36.136 36.709 -0.573 1
1 1382 . 13 1 1 A 112 112 PHE C C 112 175.288 175.097 0.191 1
1 1384 . 13 1 1 A 113 113 HIS N N 113 109.753 109.110 0.643 1
1 1385 . 13 1 1 A 113 113 HIS H H 113 8.856 8.540 0.316 1
1 1386 . 13 1 1 A 113 113 HIS CA C 113 57.593 56.669 0.924 1
1 1387 . 13 1 1 A 113 113 HIS HA H 113 4.168 4.161 0.007 1
1 1388 . 13 1 1 A 113 113 HIS CB C 113 27.575 26.825 0.750 1
1 1394 . 13 1 1 A 113 113 HIS C C 113 174.146 173.807 0.339 1
1 1396 . 13 1 1 A 114 114 GLN N N 114 118.510 116.733 1.777 1
1 1397 . 13 1 1 A 114 114 GLN H H 114 7.930 7.721 0.209 1
1 1398 . 13 1 1 A 114 114 GLN CA C 114 54.303 54.634 -0.331 1
1 1399 . 13 1 1 A 114 114 GLN HA H 114 4.674 4.745 -0.071 1
1 1400 . 13 1 1 A 114 114 GLN CB C 114 31.548 32.855 -1.307 1
1 1407 . 13 1 1 A 114 114 GLN C C 114 174.702 175.195 -0.493 1
1 1410 . 13 1 1 A 115 115 SER N N 115 118.183 117.265 0.918 1
1 1411 . 13 1 1 A 115 115 SER H H 115 8.528 8.621 -0.093 1
1 1412 . 13 1 1 A 115 115 SER CA C 115 57.665 58.110 -0.445 1
1 1413 . 13 1 1 A 115 115 SER HA H 115 5.112 4.540 0.572 1
1 1414 . 13 1 1 A 115 115 SER CB C 115 63.266 63.220 0.046 1
1 1416 . 13 1 1 A 115 115 SER C C 115 174.157 174.154 0.003 1
1 1418 . 13 1 1 A 116 116 VAL N N 116 130.788 125.219 5.569 1
1 1419 . 13 1 1 A 116 116 VAL H H 116 9.445 8.918 0.527 1
1 1420 . 13 1 1 A 116 116 VAL CA C 116 62.375 61.274 1.101 1
1 1421 . 13 1 1 A 116 116 VAL HA H 116 3.870 4.436 -0.566 1
1 1422 . 13 1 1 A 116 116 VAL CB C 116 32.564 32.904 -0.340 1
1 1432 . 13 1 1 A 116 116 VAL C C 116 175.674 173.991 1.683 1
1 1433 . 13 1 1 A 117 117 GLN N N 117 127.278 129.574 -2.296 1
1 1434 . 13 1 1 A 117 117 GLN H H 117 8.612 9.022 -0.410 1
1 1435 . 13 1 1 A 117 117 GLN CA C 117 55.004 54.232 0.772 1
1 1436 . 13 1 1 A 117 117 GLN HA H 117 5.170 5.008 0.162 1
1 1437 . 13 1 1 A 117 117 GLN CB C 117 31.166 31.059 0.107 1
1 1444 . 13 1 1 A 117 117 GLN C C 117 174.229 174.282 -0.053 1
1 1447 . 13 1 1 A 118 118 GLU N N 118 125.633 126.182 -0.549 1
1 1448 . 13 1 1 A 118 118 GLU H H 118 8.960 8.496 0.464 1
1 1449 . 13 1 1 A 118 118 GLU CA C 118 54.799 54.982 -0.183 1
1 1450 . 13 1 1 A 118 118 GLU HA H 118 4.869 5.079 -0.210 1
1 1451 . 13 1 1 A 118 118 GLU CB C 118 33.675 32.159 1.516 1
1 1455 . 13 1 1 A 118 118 GLU C C 118 174.340 175.605 -1.265 1
1 1458 . 13 1 1 A 119 119 ILE N N 119 123.525 125.462 -1.937 1
1 1459 . 13 1 1 A 119 119 ILE H H 119 8.683 8.952 -0.269 1
1 1460 . 13 1 1 A 119 119 ILE CA C 119 60.005 60.494 -0.489 1
1 1461 . 13 1 1 A 119 119 ILE HA H 119 5.157 4.804 0.353 1
1 1462 . 13 1 1 A 119 119 ILE CB C 119 40.761 39.065 1.696 1
1 1474 . 13 1 1 A 119 119 ILE C C 119 175.386 175.406 -0.020 1
1 1476 . 13 1 1 A 120 120 PHE N N 120 122.954 124.259 -1.305 1
1 1477 . 13 1 1 A 120 120 PHE H H 120 8.647 8.330 0.317 1
1 1478 . 13 1 1 A 120 120 PHE CA C 120 55.754 55.234 0.520 1
1 1479 . 13 1 1 A 120 120 PHE HA H 120 5.064 5.468 -0.404 1
1 1480 . 13 1 1 A 120 120 PHE CB C 120 39.904 42.801 -2.897 1
1 1492 . 13 1 1 A 120 120 PHE C C 120 172.536 172.663 -0.127 1
1 1494 . 13 1 1 A 121 121 GLU N N 121 120.205 119.183 1.022 1
1 1495 . 13 1 1 A 121 121 GLU H H 121 8.807 8.841 -0.034 1
1 1496 . 13 1 1 A 121 121 GLU CA C 121 54.976 54.811 0.165 1
1 1497 . 13 1 1 A 121 121 GLU HA H 121 4.795 4.991 -0.196 1
1 1498 . 13 1 1 A 121 121 GLU CB C 121 31.537 33.202 -1.665 1
1 1502 . 13 1 1 A 121 121 GLU C C 121 175.979 175.562 0.417 1
1 1505 . 13 1 1 A 122 122 VAL N N 122 124.567 124.623 -0.056 1
1 1506 . 13 1 1 A 122 122 VAL H H 122 8.818 8.595 0.223 1
1 1507 . 13 1 1 A 122 122 VAL CA C 122 62.536 63.127 -0.591 1
1 1508 . 13 1 1 A 122 122 VAL HA H 122 4.300 4.231 0.069 1
1 1509 . 13 1 1 A 122 122 VAL CB C 122 32.136 30.995 1.141 1
1 1519 . 13 1 1 A 122 122 VAL C C 122 175.324 176.444 -1.120 1
1 1520 . 13 1 1 A 123 123 ASN N N 123 125.013 122.651 2.362 1
1 1521 . 13 1 1 A 123 123 ASN H H 123 8.770 8.793 -0.023 1
1 1522 . 13 1 1 A 123 123 ASN CA C 123 52.889 52.690 0.199 1
1 1523 . 13 1 1 A 123 123 ASN HA H 123 5.072 4.880 0.192 1
1 1524 . 13 1 1 A 123 123 ASN CB C 123 40.114 38.478 1.636 1
1 1529 . 13 1 1 A 123 123 ASN C C 123 174.799 175.704 -0.905 1
1 1531 . 13 1 1 A 124 124 ASN N N 124 117.247 116.462 0.785 1
1 1532 . 13 1 1 A 124 124 ASN H H 124 8.599 8.487 0.112 1
1 1533 . 13 1 1 A 124 124 ASN CA C 124 52.853 52.430 0.423 1
1 1534 . 13 1 1 A 124 124 ASN HA H 124 4.721 4.816 -0.095 1
1 1535 . 13 1 1 A 124 124 ASN CB C 124 36.882 37.839 -0.957 1
1 1540 . 13 1 1 A 124 124 ASN C C 124 174.437 175.432 -0.995 1
1 1542 . 13 1 1 A 125 125 LEU N N 125 119.273 123.609 -4.336 1
1 1543 . 13 1 1 A 125 125 LEU H H 125 8.105 7.361 0.744 1
1 1544 . 13 1 1 A 125 125 LEU CA C 125 53.787 53.461 0.326 1
1 1545 . 13 1 1 A 125 125 LEU HA H 125 4.187 4.552 -0.365 1
1 1546 . 13 1 1 A 125 125 LEU CB C 125 40.398 41.111 -0.713 1
1 1558 . 13 1 1 A 125 125 LEU C C 125 175.528 174.682 0.846 1
1 1560 . 13 1 1 A 126 126 PRO CA C 126 62.439 62.709 -0.270 1
1 1561 . 13 1 1 A 126 126 PRO HA H 126 4.519 4.558 -0.039 1
1 1562 . 13 1 1 A 126 126 PRO CB C 126 31.210 31.752 -0.542 1
1 1568 . 13 1 1 A 126 126 PRO C C 126 179.073 177.452 1.621 1
1 1572 . 13 1 1 A 127 127 VAL N N 127 124.759 124.107 0.652 1
1 1573 . 13 1 1 A 127 127 VAL H H 127 8.794 8.528 0.266 1
1 1574 . 13 1 1 A 127 127 VAL CA C 127 64.360 65.256 -0.896 1
1 1575 . 13 1 1 A 127 127 VAL HA H 127 3.216 3.844 -0.628 1
1 1576 . 13 1 1 A 127 127 VAL CB C 127 30.825 31.483 -0.658 1
1 1586 . 13 1 1 A 127 127 VAL C C 127 176.789 176.905 -0.116 1
1 1587 . 13 1 1 A 128 128 GLU N N 128 119.892 122.666 -2.774 1
1 1588 . 13 1 1 A 128 128 GLU H H 128 9.460 8.248 1.212 1
1 1589 . 13 1 1 A 128 128 GLU CA C 128 59.216 59.438 -0.222 1
1 1590 . 13 1 1 A 128 128 GLU HA H 128 3.831 3.760 0.071 1
1 1591 . 13 1 1 A 128 128 GLU CB C 128 29.188 29.162 0.026 1
1 1595 . 13 1 1 A 128 128 GLU C C 128 177.624 178.536 -0.912 1
1 1598 . 13 1 1 A 129 129 SER N N 129 112.727 113.525 -0.798 1
1 1599 . 13 1 1 A 129 129 SER H H 129 8.057 8.162 -0.105 1
1 1600 . 13 1 1 A 129 129 SER CA C 129 61.024 61.356 -0.332 1
1 1601 . 13 1 1 A 129 129 SER HA H 129 3.925 4.223 -0.298 1
1 1602 . 13 1 1 A 129 129 SER CB C 129 64.440 62.105 2.335 1
1 1604 . 13 1 1 A 129 129 SER C C 129 173.147 176.182 -3.035 1
1 1606 . 13 1 1 A 130 130 TRP N N 130 117.092 119.120 -2.028 1
1 1607 . 13 1 1 A 130 130 TRP H H 130 7.184 8.150 -0.966 1
1 1608 . 13 1 1 A 130 130 TRP CA C 130 57.027 59.108 -2.081 1
1 1609 . 13 1 1 A 130 130 TRP HA H 130 4.974 4.623 0.351 1
1 1610 . 13 1 1 A 130 130 TRP CB C 130 31.384 29.981 1.403 1
1 1624 . 13 1 1 A 130 130 TRP C C 130 174.759 177.809 -3.050 1
1 1 . 14 1 1 A 6 6 SER CA C 6 58.371 59.190 -0.819 1
1 2 . 14 1 1 A 6 6 SER HA H 6 4.533 4.348 0.185 1
1 3 . 14 1 1 A 6 6 SER CB C 6 63.994 63.537 0.457 1
1 5 . 14 1 1 A 6 6 SER C C 6 174.472 174.843 -0.371 1
1 7 . 14 1 1 A 7 7 GLY N N 7 110.741 111.551 -0.810 1
1 8 . 14 1 1 A 7 7 GLY H H 7 8.209 8.328 -0.119 1
1 9 . 14 1 1 A 7 7 GLY CA C 7 44.501 45.501 -1.000 1
1 10 . 14 1 1 A 7 7 GLY HA3 H 7 4.059 4.244 -0.185 1
1 11 . 14 1 1 A 7 7 GLY C C 7 171.084 171.317 -0.233 1
1 12 . 14 1 1 A 7 7 GLY HA2 H 7 4.155 4.244 -0.089 1
1 13 . 14 1 1 A 8 8 PRO CA C 8 61.515 62.047 -0.532 1
1 14 . 14 1 1 A 8 8 PRO HA H 8 4.713 4.596 0.117 1
1 15 . 14 1 1 A 8 8 PRO CB C 8 30.760 31.940 -1.180 1
1 24 . 14 1 1 A 9 9 PRO HA H 9 4.724 4.627 0.097 1
1 30 . 14 1 1 A 10 10 PRO CA C 10 62.761 62.446 0.315 1
1 31 . 14 1 1 A 10 10 PRO HA H 10 4.389 4.642 -0.253 1
1 32 . 14 1 1 A 10 10 PRO CB C 10 32.082 33.117 -1.035 1
1 37 . 14 1 1 A 10 10 PRO C C 10 176.236 175.330 0.906 1
1 41 . 14 1 1 A 11 11 ALA N N 11 125.926 122.006 3.920 1
1 42 . 14 1 1 A 11 11 ALA H H 11 8.352 8.174 0.178 1
1 43 . 14 1 1 A 11 11 ALA CA C 11 50.343 49.210 1.133 1
1 44 . 14 1 1 A 11 11 ALA HA H 11 4.583 4.799 -0.216 1
1 45 . 14 1 1 A 11 11 ALA CB C 11 18.255 20.143 -1.888 1
1 49 . 14 1 1 A 11 11 ALA C C 11 175.479 175.167 0.312 1
1 50 . 14 1 1 A 12 12 PRO CA C 12 62.757 62.221 0.536 1
1 51 . 14 1 1 A 12 12 PRO HA H 12 4.386 4.637 -0.251 1
1 52 . 14 1 1 A 12 12 PRO CB C 12 32.104 33.227 -1.123 1
1 57 . 14 1 1 A 12 12 PRO C C 12 176.478 175.282 1.196 1
1 61 . 14 1 1 A 13 13 ILE N N 13 124.607 120.981 3.626 1
1 62 . 14 1 1 A 13 13 ILE H H 13 8.661 8.308 0.353 1
1 63 . 14 1 1 A 13 13 ILE CA C 13 59.081 57.942 1.139 1
1 64 . 14 1 1 A 13 13 ILE HA H 13 4.288 4.486 -0.198 1
1 65 . 14 1 1 A 13 13 ILE CB C 13 39.710 39.901 -0.191 1
1 77 . 14 1 1 A 13 13 ILE C C 13 174.727 174.301 0.426 1
1 79 . 14 1 1 A 14 14 PRO CA C 14 63.433 62.386 1.047 1
1 80 . 14 1 1 A 14 14 PRO HA H 14 4.457 4.508 -0.051 1
1 81 . 14 1 1 A 14 14 PRO CB C 14 32.428 32.360 0.068 1
1 86 . 14 1 1 A 14 14 PRO C C 14 175.380 176.256 -0.876 1
1 90 . 14 1 1 A 15 15 ASP N N 15 118.741 121.829 -3.088 1
1 91 . 14 1 1 A 15 15 ASP H H 15 8.042 8.554 -0.512 1
1 92 . 14 1 1 A 15 15 ASP CA C 15 54.213 53.839 0.374 1
1 93 . 14 1 1 A 15 15 ASP HA H 15 5.064 4.721 0.343 1
1 94 . 14 1 1 A 15 15 ASP CB C 15 41.793 41.823 -0.030 1
1 96 . 14 1 1 A 15 15 ASP C C 15 176.413 175.248 1.165 1
1 98 . 14 1 1 A 16 16 LEU N N 16 121.451 122.994 -1.543 1
1 99 . 14 1 1 A 16 16 LEU H H 16 9.016 8.452 0.564 1
1 100 . 14 1 1 A 16 16 LEU CA C 16 53.914 54.409 -0.495 1
1 101 . 14 1 1 A 16 16 LEU HA H 16 4.847 4.915 -0.068 1
1 102 . 14 1 1 A 16 16 LEU CB C 16 48.283 45.953 2.330 1
1 114 . 14 1 1 A 16 16 LEU C C 16 174.915 174.290 0.625 1
1 116 . 14 1 1 A 17 17 LYS N N 17 130.346 127.519 2.827 1
1 117 . 14 1 1 A 17 17 LYS H H 17 8.937 8.873 0.064 1
1 118 . 14 1 1 A 17 17 LYS CA C 17 57.027 56.759 0.268 1
1 119 . 14 1 1 A 17 17 LYS HA H 17 4.821 4.516 0.305 1
1 120 . 14 1 1 A 17 17 LYS CB C 17 31.991 32.222 -0.231 1
1 128 . 14 1 1 A 17 17 LYS C C 17 177.744 176.510 1.234 1
1 133 . 14 1 1 A 18 18 VAL N N 18 116.605 121.880 -5.275 1
1 134 . 14 1 1 A 18 18 VAL H H 18 8.228 8.346 -0.118 1
1 135 . 14 1 1 A 18 18 VAL CA C 18 60.586 62.105 -1.519 1
1 136 . 14 1 1 A 18 18 VAL HA H 18 4.807 4.188 0.619 1
1 137 . 14 1 1 A 18 18 VAL CB C 18 33.601 33.147 0.454 1
1 147 . 14 1 1 A 18 18 VAL C C 18 174.118 175.608 -1.490 1
1 148 . 14 1 1 A 19 19 PHE N N 19 120.586 121.295 -0.709 1
1 149 . 14 1 1 A 19 19 PHE H H 19 7.429 7.080 0.349 1
1 150 . 14 1 1 A 19 19 PHE CA C 19 57.947 57.603 0.344 1
1 151 . 14 1 1 A 19 19 PHE HA H 19 4.544 4.558 -0.014 1
1 152 . 14 1 1 A 19 19 PHE CB C 19 43.455 42.447 1.008 1
1 162 . 14 1 1 A 19 19 PHE C C 19 172.947 172.936 0.011 1
1 164 . 14 1 1 A 20 20 GLU N N 20 126.790 126.441 0.349 1
1 165 . 14 1 1 A 20 20 GLU H H 20 7.620 8.303 -0.683 1
1 166 . 14 1 1 A 20 20 GLU CA C 20 55.117 54.871 0.246 1
1 167 . 14 1 1 A 20 20 GLU HA H 20 5.059 4.577 0.482 1
1 168 . 14 1 1 A 20 20 GLU CB C 20 32.091 32.851 -0.760 1
1 172 . 14 1 1 A 20 20 GLU C C 20 174.073 173.579 0.494 1
1 175 . 14 1 1 A 21 21 ARG N N 21 125.153 127.827 -2.674 1
1 176 . 14 1 1 A 21 21 ARG H H 21 8.806 8.730 0.076 1
1 177 . 14 1 1 A 21 21 ARG CA C 21 56.532 53.986 2.546 1
1 178 . 14 1 1 A 21 21 ARG HA H 21 4.234 4.632 -0.398 1
1 179 . 14 1 1 A 21 21 ARG CB C 21 33.707 33.199 0.508 1
1 185 . 14 1 1 A 21 21 ARG C C 21 176.293 177.304 -1.011 1
1 189 . 14 1 1 A 22 22 GLU N N 22 132.286 124.565 7.721 1
1 190 . 14 1 1 A 22 22 GLU H H 22 9.887 8.849 1.038 1
1 191 . 14 1 1 A 22 22 GLU CA C 22 57.271 58.578 -1.307 1
1 192 . 14 1 1 A 22 22 GLU HA H 22 3.968 4.114 -0.146 1
1 193 . 14 1 1 A 22 22 GLU CB C 22 28.595 29.097 -0.502 1
1 197 . 14 1 1 A 22 22 GLU C C 22 175.219 176.934 -1.715 1
1 200 . 14 1 1 A 23 23 GLY N N 23 103.445 107.906 -4.461 1
1 201 . 14 1 1 A 23 23 GLY H H 23 8.570 7.987 0.583 1
1 202 . 14 1 1 A 23 23 GLY CA C 23 45.698 46.247 -0.549 1
1 203 . 14 1 1 A 23 23 GLY HA3 H 23 4.242 4.176 0.066 1
1 204 . 14 1 1 A 23 23 GLY C C 23 173.517 174.121 -0.604 1
1 205 . 14 1 1 A 23 23 GLY HA2 H 23 3.658 4.153 -0.495 1
1 206 . 14 1 1 A 24 24 VAL N N 24 124.489 119.265 5.224 1
1 207 . 14 1 1 A 24 24 VAL H H 24 8.016 7.664 0.352 1
1 208 . 14 1 1 A 24 24 VAL CA C 24 61.341 62.160 -0.819 1
1 209 . 14 1 1 A 24 24 VAL HA H 24 4.780 4.418 0.362 1
1 210 . 14 1 1 A 24 24 VAL CB C 24 32.051 32.985 -0.934 1
1 220 . 14 1 1 A 24 24 VAL C C 24 175.459 174.835 0.624 1
1 221 . 14 1 1 A 25 25 GLN N N 25 123.296 123.428 -0.132 1
1 222 . 14 1 1 A 25 25 GLN H H 25 8.446 8.427 0.019 1
1 223 . 14 1 1 A 25 25 GLN CA C 25 53.879 54.492 -0.613 1
1 224 . 14 1 1 A 25 25 GLN HA H 25 5.378 5.009 0.369 1
1 225 . 14 1 1 A 25 25 GLN CB C 25 33.065 32.533 0.532 1
1 232 . 14 1 1 A 25 25 GLN C C 25 174.348 174.057 0.291 1
1 235 . 14 1 1 A 26 26 LEU N N 26 120.847 125.708 -4.861 1
1 236 . 14 1 1 A 26 26 LEU H H 26 8.579 9.114 -0.535 1
1 237 . 14 1 1 A 26 26 LEU CA C 26 53.914 53.590 0.324 1
1 238 . 14 1 1 A 26 26 LEU HA H 26 5.400 5.432 -0.032 1
1 239 . 14 1 1 A 26 26 LEU CB C 26 47.336 45.972 1.364 1
1 251 . 14 1 1 A 26 26 LEU C C 26 174.842 174.577 0.265 1
1 253 . 14 1 1 A 27 27 ASN N N 27 124.346 124.411 -0.065 1
1 254 . 14 1 1 A 27 27 ASN H H 27 8.738 9.098 -0.360 1
1 255 . 14 1 1 A 27 27 ASN CA C 27 52.063 51.902 0.161 1
1 256 . 14 1 1 A 27 27 ASN HA H 27 5.542 5.401 0.141 1
1 257 . 14 1 1 A 27 27 ASN CB C 27 43.866 42.036 1.830 1
1 262 . 14 1 1 A 27 27 ASN C C 27 173.520 173.960 -0.440 1
1 264 . 14 1 1 A 28 28 LEU N N 28 124.198 124.126 0.072 1
1 265 . 14 1 1 A 28 28 LEU H H 28 9.406 8.733 0.673 1
1 266 . 14 1 1 A 28 28 LEU CA C 28 53.773 53.581 0.192 1
1 267 . 14 1 1 A 28 28 LEU HA H 28 4.995 5.151 -0.156 1
1 268 . 14 1 1 A 28 28 LEU CB C 28 44.307 46.848 -2.541 1
1 280 . 14 1 1 A 28 28 LEU C C 28 174.670 174.227 0.443 1
1 282 . 14 1 1 A 29 29 SER N N 29 115.017 122.272 -7.255 1
1 283 . 14 1 1 A 29 29 SER H H 29 8.314 8.334 -0.020 1
1 284 . 14 1 1 A 29 29 SER CA C 29 56.340 57.357 -1.017 1
1 285 . 14 1 1 A 29 29 SER HA H 29 4.807 4.975 -0.168 1
1 286 . 14 1 1 A 29 29 SER CB C 29 65.926 65.676 0.250 1
1 288 . 14 1 1 A 29 29 SER C C 29 172.842 173.031 -0.189 1
1 290 . 14 1 1 A 30 30 PHE N N 30 119.941 123.833 -3.892 1
1 291 . 14 1 1 A 30 30 PHE H H 30 9.366 9.141 0.225 1
1 292 . 14 1 1 A 30 30 PHE CA C 30 57.047 56.657 0.390 1
1 293 . 14 1 1 A 30 30 PHE HA H 30 5.374 5.179 0.195 1
1 294 . 14 1 1 A 30 30 PHE CB C 30 44.307 41.983 2.324 1
1 306 . 14 1 1 A 30 30 PHE C C 30 175.242 175.076 0.166 1
1 308 . 14 1 1 A 31 31 ILE N N 31 122.161 121.183 0.978 1
1 309 . 14 1 1 A 31 31 ILE H H 31 8.950 8.619 0.331 1
1 310 . 14 1 1 A 31 31 ILE CA C 31 60.680 60.271 0.409 1
1 311 . 14 1 1 A 31 31 ILE HA H 31 4.338 4.894 -0.556 1
1 312 . 14 1 1 A 31 31 ILE CB C 31 42.354 41.684 0.670 1
1 324 . 14 1 1 A 31 31 ILE C C 31 174.368 175.276 -0.908 1
1 326 . 14 1 1 A 32 32 ARG N N 32 128.976 127.474 1.502 1
1 327 . 14 1 1 A 32 32 ARG H H 32 8.773 8.900 -0.127 1
1 328 . 14 1 1 A 32 32 ARG CA C 32 51.444 52.964 -1.520 1
1 329 . 14 1 1 A 32 32 ARG HA H 32 5.263 4.928 0.335 1
1 330 . 14 1 1 A 32 32 ARG CB C 32 29.600 31.250 -1.650 1
1 338 . 14 1 1 A 32 32 ARG C C 32 173.585 173.653 -0.068 1
1 342 . 14 1 1 A 33 33 PRO CA C 33 60.759 61.908 -1.149 1
1 343 . 14 1 1 A 33 33 PRO HA H 33 4.581 4.691 -0.110 1
1 344 . 14 1 1 A 33 33 PRO CB C 33 32.219 32.643 -0.424 1
1 353 . 14 1 1 A 34 34 PRO CA C 34 64.464 65.277 -0.813 1
1 354 . 14 1 1 A 34 34 PRO HA H 34 4.236 4.222 0.014 1
1 355 . 14 1 1 A 34 34 PRO CB C 34 31.997 32.056 -0.059 1
1 361 . 14 1 1 A 34 34 PRO C C 34 178.240 178.520 -0.280 1
1 365 . 14 1 1 A 35 35 GLU N N 35 115.025 116.145 -1.120 1
1 366 . 14 1 1 A 35 35 GLU H H 35 9.287 8.852 0.435 1
1 367 . 14 1 1 A 35 35 GLU CA C 35 57.753 58.877 -1.124 1
1 368 . 14 1 1 A 35 35 GLU HA H 35 4.205 4.130 0.075 1
1 369 . 14 1 1 A 35 35 GLU CB C 35 28.595 28.895 -0.300 1
1 373 . 14 1 1 A 35 35 GLU C C 35 176.471 176.929 -0.458 1
1 376 . 14 1 1 A 36 36 ASN N N 36 114.302 118.080 -3.778 1
1 377 . 14 1 1 A 36 36 ASN H H 36 7.257 7.865 -0.608 1
1 378 . 14 1 1 A 36 36 ASN CA C 36 50.593 50.154 0.439 1
1 379 . 14 1 1 A 36 36 ASN HA H 36 5.024 5.191 -0.167 1
1 380 . 14 1 1 A 36 36 ASN CB C 36 39.094 39.104 -0.010 1
1 385 . 14 1 1 A 36 36 ASN C C 36 172.128 173.600 -1.472 1
1 387 . 14 1 1 A 37 37 PRO CA C 37 64.287 64.332 -0.045 1
1 388 . 14 1 1 A 37 37 PRO HA H 37 4.600 4.419 0.181 1
1 389 . 14 1 1 A 37 37 PRO CB C 37 32.235 31.894 0.341 1
1 394 . 14 1 1 A 37 37 PRO C C 37 176.707 177.791 -1.084 1
1 398 . 14 1 1 A 38 38 ALA N N 38 117.780 117.874 -0.094 1
1 399 . 14 1 1 A 38 38 ALA H H 38 7.596 7.999 -0.403 1
1 400 . 14 1 1 A 38 38 ALA CA C 38 52.674 52.797 -0.123 1
1 401 . 14 1 1 A 38 38 ALA HA H 38 4.262 4.385 -0.123 1
1 402 . 14 1 1 A 38 38 ALA CB C 38 19.201 19.522 -0.321 1
1 406 . 14 1 1 A 38 38 ALA C C 38 176.546 177.099 -0.553 1
1 407 . 14 1 1 A 39 39 LEU N N 39 122.870 120.950 1.920 1
1 408 . 14 1 1 A 39 39 LEU H H 39 7.963 7.200 0.763 1
1 409 . 14 1 1 A 39 39 LEU CA C 39 54.548 53.709 0.839 1
1 410 . 14 1 1 A 39 39 LEU HA H 39 4.953 4.943 0.010 1
1 411 . 14 1 1 A 39 39 LEU CB C 39 44.768 43.954 0.814 1
1 423 . 14 1 1 A 39 39 LEU C C 39 173.627 175.216 -1.589 1
1 425 . 14 1 1 A 40 40 LEU N N 40 125.985 129.435 -3.450 1
1 426 . 14 1 1 A 40 40 LEU H H 40 9.247 9.062 0.185 1
1 427 . 14 1 1 A 40 40 LEU CA C 40 53.914 53.585 0.329 1
1 428 . 14 1 1 A 40 40 LEU HA H 40 5.018 5.109 -0.091 1
1 429 . 14 1 1 A 40 40 LEU CB C 40 45.014 44.664 0.350 1
1 441 . 14 1 1 A 40 40 LEU C C 40 174.170 174.836 -0.666 1
1 443 . 14 1 1 A 41 41 LEU N N 41 125.906 129.194 -3.288 1
1 444 . 14 1 1 A 41 41 LEU H H 41 9.224 9.082 0.142 1
1 445 . 14 1 1 A 41 41 LEU CA C 41 53.190 53.923 -0.733 1
1 446 . 14 1 1 A 41 41 LEU HA H 41 5.222 5.107 0.115 1
1 447 . 14 1 1 A 41 41 LEU CB C 41 42.034 41.910 0.124 1
1 459 . 14 1 1 A 41 41 LEU C C 41 177.109 176.135 0.974 1
1 461 . 14 1 1 A 42 42 ILE N N 42 124.731 125.771 -1.040 1
1 462 . 14 1 1 A 42 42 ILE H H 42 9.087 8.789 0.298 1
1 463 . 14 1 1 A 42 42 ILE CA C 42 59.794 59.922 -0.128 1
1 464 . 14 1 1 A 42 42 ILE HA H 42 5.055 5.121 -0.066 1
1 465 . 14 1 1 A 42 42 ILE CB C 42 41.019 40.578 0.441 1
1 477 . 14 1 1 A 42 42 ILE C C 42 175.074 175.080 -0.006 1
1 479 . 14 1 1 A 43 43 THR N N 43 123.315 121.876 1.439 1
1 480 . 14 1 1 A 43 43 THR H H 43 8.589 8.884 -0.295 1
1 481 . 14 1 1 A 43 43 THR CA C 43 61.677 61.793 -0.116 1
1 482 . 14 1 1 A 43 43 THR HA H 43 5.023 5.231 -0.208 1
1 483 . 14 1 1 A 43 43 THR CB C 43 69.838 71.563 -1.725 1
1 489 . 14 1 1 A 43 43 THR C C 43 174.993 173.414 1.579 1
1 490 . 14 1 1 A 44 44 ILE N N 44 126.677 127.070 -0.393 1
1 491 . 14 1 1 A 44 44 ILE H H 44 9.329 9.171 0.158 1
1 492 . 14 1 1 A 44 44 ILE CA C 44 59.794 59.767 0.027 1
1 493 . 14 1 1 A 44 44 ILE HA H 44 4.953 5.157 -0.204 1
1 494 . 14 1 1 A 44 44 ILE CB C 44 38.754 41.064 -2.310 1
1 506 . 14 1 1 A 44 44 ILE C C 44 174.670 175.508 -0.838 1
1 508 . 14 1 1 A 45 45 THR N N 45 120.442 121.596 -1.154 1
1 509 . 14 1 1 A 45 45 THR H H 45 8.740 8.506 0.234 1
1 510 . 14 1 1 A 45 45 THR CA C 45 61.579 61.531 0.048 1
1 511 . 14 1 1 A 45 45 THR HA H 45 5.266 5.124 0.142 1
1 512 . 14 1 1 A 45 45 THR CB C 45 70.338 71.106 -0.768 1
1 518 . 14 1 1 A 45 45 THR C C 45 174.494 173.125 1.369 1
1 519 . 14 1 1 A 46 46 ALA N N 46 134.267 130.523 3.744 1
1 520 . 14 1 1 A 46 46 ALA H H 46 9.489 8.476 1.013 1
1 521 . 14 1 1 A 46 46 ALA CA C 46 49.846 50.010 -0.164 1
1 522 . 14 1 1 A 46 46 ALA HA H 46 5.554 5.428 0.126 1
1 523 . 14 1 1 A 46 46 ALA CB C 46 20.414 20.764 -0.350 1
1 527 . 14 1 1 A 46 46 ALA C C 46 174.819 176.354 -1.535 1
1 528 . 14 1 1 A 47 47 THR N N 47 111.611 114.419 -2.808 1
1 529 . 14 1 1 A 47 47 THR H H 47 8.431 8.749 -0.318 1
1 530 . 14 1 1 A 47 47 THR CA C 47 59.331 59.620 -0.289 1
1 531 . 14 1 1 A 47 47 THR HA H 47 4.409 5.111 -0.702 1
1 532 . 14 1 1 A 47 47 THR CB C 47 71.655 71.171 0.484 1
1 538 . 14 1 1 A 47 47 THR C C 47 173.104 172.802 0.302 1
1 539 . 14 1 1 A 48 48 ASN N N 48 117.087 120.876 -3.789 1
1 540 . 14 1 1 A 48 48 ASN H H 48 8.647 8.479 0.168 1
1 541 . 14 1 1 A 48 48 ASN CA C 48 51.019 51.615 -0.596 1
1 542 . 14 1 1 A 48 48 ASN HA H 48 5.096 5.348 -0.252 1
1 543 . 14 1 1 A 48 48 ASN CB C 48 39.880 41.886 -2.006 1
1 548 . 14 1 1 A 48 48 ASN C C 48 173.769 174.145 -0.376 1
1 550 . 14 1 1 A 49 49 PHE N N 49 123.238 122.425 0.813 1
1 551 . 14 1 1 A 49 49 PHE H H 49 9.105 8.627 0.478 1
1 552 . 14 1 1 A 49 49 PHE CA C 49 57.422 58.778 -1.356 1
1 553 . 14 1 1 A 49 49 PHE HA H 49 4.601 4.721 -0.120 1
1 554 . 14 1 1 A 49 49 PHE CB C 49 38.770 40.849 -2.079 1
1 566 . 14 1 1 A 49 49 PHE C C 49 176.238 175.435 0.803 1
1 568 . 14 1 1 A 50 50 SER N N 50 118.477 113.784 4.693 1
1 569 . 14 1 1 A 50 50 SER H H 50 8.344 7.791 0.553 1
1 570 . 14 1 1 A 50 50 SER CA C 50 58.654 58.192 0.462 1
1 571 . 14 1 1 A 50 50 SER HA H 50 4.933 4.521 0.412 1
1 572 . 14 1 1 A 50 50 SER CB C 50 66.611 65.087 1.524 1
1 573 . 14 1 1 A 50 50 SER C C 50 173.089 175.075 -1.986 1
1 574 . 14 1 1 A 51 51 GLU N N 51 114.036 120.363 -6.327 1
1 575 . 14 1 1 A 51 51 GLU H H 51 9.051 8.998 0.053 1
1 576 . 14 1 1 A 51 51 GLU CA C 51 56.701 59.018 -2.317 1
1 577 . 14 1 1 A 51 51 GLU HA H 51 4.358 4.292 0.066 1
1 578 . 14 1 1 A 51 51 GLU CB C 51 30.323 29.993 0.330 1
1 582 . 14 1 1 A 51 51 GLU C C 51 175.603 177.873 -2.270 1
1 585 . 14 1 1 A 52 52 GLY N N 52 109.625 107.354 2.271 1
1 586 . 14 1 1 A 52 52 GLY H H 52 8.525 7.269 1.256 1
1 587 . 14 1 1 A 52 52 GLY CA C 52 44.267 44.883 -0.616 1
1 588 . 14 1 1 A 52 52 GLY HA3 H 52 4.505 3.651 0.854 1
1 589 . 14 1 1 A 52 52 GLY C C 52 173.168 172.964 0.204 1
1 590 . 14 1 1 A 52 52 GLY HA2 H 52 2.842 2.863 -0.021 1
1 591 . 14 1 1 A 53 53 ASP N N 53 125.175 121.717 3.458 1
1 592 . 14 1 1 A 53 53 ASP H H 53 9.001 8.286 0.715 1
1 593 . 14 1 1 A 53 53 ASP CA C 53 55.793 53.560 2.233 1
1 594 . 14 1 1 A 53 53 ASP HA H 53 4.082 4.636 -0.554 1
1 595 . 14 1 1 A 53 53 ASP CB C 53 40.522 41.526 -1.004 1
1 597 . 14 1 1 A 53 53 ASP C C 53 176.506 175.833 0.673 1
1 599 . 14 1 1 A 54 54 VAL N N 54 125.250 122.634 2.616 1
1 600 . 14 1 1 A 54 54 VAL H H 54 7.873 8.000 -0.127 1
1 601 . 14 1 1 A 54 54 VAL CA C 54 61.350 61.289 0.061 1
1 602 . 14 1 1 A 54 54 VAL HA H 54 4.759 4.423 0.336 1
1 603 . 14 1 1 A 54 54 VAL CB C 54 32.808 32.004 0.804 1
1 613 . 14 1 1 A 54 54 VAL C C 54 176.126 175.211 0.915 1
1 614 . 14 1 1 A 55 55 THR N N 55 116.888 117.402 -0.514 1
1 615 . 14 1 1 A 55 55 THR H H 55 9.004 8.466 0.538 1
1 616 . 14 1 1 A 55 55 THR CA C 55 59.194 59.906 -0.712 1
1 617 . 14 1 1 A 55 55 THR HA H 55 4.920 5.084 -0.164 1
1 618 . 14 1 1 A 55 55 THR CB C 55 72.508 71.887 0.621 1
1 624 . 14 1 1 A 55 55 THR C C 55 173.166 173.777 -0.611 1
1 625 . 14 1 1 A 56 56 HIS N N 56 115.667 116.785 -1.118 1
1 626 . 14 1 1 A 56 56 HIS H H 56 9.193 8.660 0.533 1
1 627 . 14 1 1 A 56 56 HIS CA C 56 56.363 56.684 -0.321 1
1 628 . 14 1 1 A 56 56 HIS HA H 56 4.153 4.027 0.126 1
1 629 . 14 1 1 A 56 56 HIS CB C 56 26.923 27.139 -0.216 1
1 635 . 14 1 1 A 56 56 HIS C C 56 173.611 173.714 -0.103 1
1 637 . 14 1 1 A 57 57 PHE N N 57 118.625 118.322 0.303 1
1 638 . 14 1 1 A 57 57 PHE H H 57 8.932 8.137 0.795 1
1 639 . 14 1 1 A 57 57 PHE CA C 57 59.503 57.786 1.717 1
1 640 . 14 1 1 A 57 57 PHE HA H 57 4.819 4.786 0.033 1
1 641 . 14 1 1 A 57 57 PHE CB C 57 39.871 40.068 -0.197 1
1 653 . 14 1 1 A 57 57 PHE C C 57 176.025 174.411 1.614 1
1 655 . 14 1 1 A 58 58 ILE N N 58 131.418 127.235 4.183 1
1 656 . 14 1 1 A 58 58 ILE H H 58 8.989 8.745 0.244 1
1 657 . 14 1 1 A 58 58 ILE CA C 58 61.138 59.468 1.670 1
1 658 . 14 1 1 A 58 58 ILE HA H 58 4.001 4.456 -0.455 1
1 659 . 14 1 1 A 58 58 ILE CB C 58 41.349 40.766 0.583 1
1 671 . 14 1 1 A 58 58 ILE C C 58 173.046 174.089 -1.043 1
1 673 . 14 1 1 A 59 59 CYS N N 59 126.838 127.614 -0.776 1
1 674 . 14 1 1 A 59 59 CYS H H 59 8.844 8.750 0.094 1
1 675 . 14 1 1 A 59 59 CYS CA C 59 56.902 56.989 -0.087 1
1 676 . 14 1 1 A 59 59 CYS HA H 59 5.044 5.087 -0.043 1
1 677 . 14 1 1 A 59 59 CYS CB C 59 28.363 29.454 -1.091 1
1 679 . 14 1 1 A 59 59 CYS C C 59 173.375 173.331 0.044 1
1 681 . 14 1 1 A 60 60 GLN N N 60 126.903 126.941 -0.038 1
1 682 . 14 1 1 A 60 60 GLN H H 60 8.929 8.583 0.346 1
1 683 . 14 1 1 A 60 60 GLN CA C 60 54.162 54.627 -0.465 1
1 684 . 14 1 1 A 60 60 GLN HA H 60 4.656 5.106 -0.450 1
1 685 . 14 1 1 A 60 60 GLN CB C 60 31.991 31.661 0.330 1
1 691 . 14 1 1 A 60 60 GLN C C 60 174.000 174.699 -0.699 1
1 694 . 14 1 1 A 61 61 ALA N N 61 124.049 121.364 2.685 1
1 695 . 14 1 1 A 61 61 ALA H H 61 8.178 8.553 -0.375 1
1 696 . 14 1 1 A 61 61 ALA CA C 61 50.160 51.237 -1.077 1
1 697 . 14 1 1 A 61 61 ALA HA H 61 5.192 5.269 -0.077 1
1 698 . 14 1 1 A 61 61 ALA CB C 61 23.419 23.992 -0.573 1
1 702 . 14 1 1 A 61 61 ALA C C 61 175.076 175.272 -0.196 1
1 703 . 14 1 1 A 62 62 ALA N N 62 121.362 121.084 0.278 1
1 704 . 14 1 1 A 62 62 ALA H H 62 8.488 8.437 0.051 1
1 705 . 14 1 1 A 62 62 ALA CA C 62 51.309 51.017 0.292 1
1 706 . 14 1 1 A 62 62 ALA HA H 62 4.667 5.175 -0.508 1
1 707 . 14 1 1 A 62 62 ALA CB C 62 22.617 23.022 -0.405 1
1 711 . 14 1 1 A 62 62 ALA C C 62 176.013 175.856 0.157 1
1 712 . 14 1 1 A 63 63 VAL N N 63 113.572 114.844 -1.272 1
1 713 . 14 1 1 A 63 63 VAL H H 63 8.271 8.700 -0.429 1
1 714 . 14 1 1 A 63 63 VAL CA C 63 57.691 57.822 -0.131 1
1 715 . 14 1 1 A 63 63 VAL HA H 63 5.045 4.946 0.099 1
1 716 . 14 1 1 A 63 63 VAL CB C 63 32.968 34.560 -1.592 1
1 726 . 14 1 1 A 63 63 VAL C C 63 173.707 173.212 0.495 1
1 727 . 14 1 1 A 64 64 PRO CA C 64 62.757 62.508 0.249 1
1 728 . 14 1 1 A 64 64 PRO HA H 64 4.459 4.597 -0.138 1
1 729 . 14 1 1 A 64 64 PRO CB C 64 32.728 32.670 0.058 1
1 735 . 14 1 1 A 64 64 PRO C C 64 176.348 177.641 -1.293 1
1 739 . 14 1 1 A 65 65 LYS N N 65 118.624 123.402 -4.778 1
1 740 . 14 1 1 A 65 65 LYS H H 65 8.323 8.533 -0.210 1
1 741 . 14 1 1 A 65 65 LYS CA C 65 58.516 59.955 -1.439 1
1 742 . 14 1 1 A 65 65 LYS HA H 65 4.183 3.878 0.305 1
1 743 . 14 1 1 A 65 65 LYS CB C 65 32.320 32.287 0.033 1
1 751 . 14 1 1 A 65 65 LYS C C 65 176.595 178.449 -1.854 1
1 756 . 14 1 1 A 66 66 SER N N 66 111.762 115.888 -4.126 1
1 757 . 14 1 1 A 66 66 SER H H 66 7.779 8.255 -0.476 1
1 758 . 14 1 1 A 66 66 SER CA C 66 59.298 62.425 -3.127 1
1 759 . 14 1 1 A 66 66 SER HA H 66 4.234 4.135 0.099 1
1 760 . 14 1 1 A 66 66 SER CB C 66 62.984 62.709 0.275 1
1 762 . 14 1 1 A 66 66 SER C C 66 174.137 175.054 -0.917 1
1 764 . 14 1 1 A 67 67 LEU N N 67 124.569 118.445 6.124 1
1 765 . 14 1 1 A 67 67 LEU H H 67 8.109 7.861 0.248 1
1 766 . 14 1 1 A 67 67 LEU CA C 67 54.940 53.138 1.802 1
1 767 . 14 1 1 A 67 67 LEU HA H 67 4.836 5.065 -0.229 1
1 768 . 14 1 1 A 67 67 LEU CB C 67 43.882 44.708 -0.826 1
1 780 . 14 1 1 A 67 67 LEU C C 67 174.925 175.808 -0.883 1
1 782 . 14 1 1 A 68 68 GLN N N 68 117.163 121.013 -3.850 1
1 783 . 14 1 1 A 68 68 GLN H H 68 8.063 8.787 -0.724 1
1 784 . 14 1 1 A 68 68 GLN CA C 68 54.829 54.001 0.828 1
1 785 . 14 1 1 A 68 68 GLN HA H 68 4.674 5.121 -0.447 1
1 786 . 14 1 1 A 68 68 GLN CB C 68 31.579 32.402 -0.823 1
1 793 . 14 1 1 A 68 68 GLN C C 68 174.077 173.842 0.235 1
1 796 . 14 1 1 A 69 69 LEU N N 69 126.046 123.745 2.301 1
1 797 . 14 1 1 A 69 69 LEU H H 69 8.676 8.837 -0.161 1
1 798 . 14 1 1 A 69 69 LEU CA C 69 54.073 53.877 0.196 1
1 799 . 14 1 1 A 69 69 LEU HA H 69 5.231 5.068 0.163 1
1 800 . 14 1 1 A 69 69 LEU CB C 69 45.602 46.537 -0.935 1
1 811 . 14 1 1 A 69 69 LEU C C 69 175.497 174.643 0.854 1
1 813 . 14 1 1 A 70 70 GLN N N 70 126.758 124.353 2.405 1
1 814 . 14 1 1 A 70 70 GLN H H 70 9.410 8.879 0.531 1
1 815 . 14 1 1 A 70 70 GLN CA C 70 54.657 54.960 -0.303 1
1 816 . 14 1 1 A 70 70 GLN HA H 70 4.746 4.796 -0.050 1
1 817 . 14 1 1 A 70 70 GLN CB C 70 31.537 32.418 -0.881 1
1 824 . 14 1 1 A 70 70 GLN C C 70 174.686 174.351 0.335 1
1 827 . 14 1 1 A 71 71 LEU N N 71 126.413 128.351 -1.938 1
1 828 . 14 1 1 A 71 71 LEU H H 71 8.936 8.734 0.202 1
1 829 . 14 1 1 A 71 71 LEU CA C 71 55.294 54.607 0.687 1
1 830 . 14 1 1 A 71 71 LEU HA H 71 4.752 4.554 0.198 1
1 831 . 14 1 1 A 71 71 LEU CB C 71 43.898 42.781 1.117 1
1 843 . 14 1 1 A 71 71 LEU C C 71 176.498 175.591 0.907 1
1 845 . 14 1 1 A 72 72 GLN N N 72 121.553 127.466 -5.913 1
1 846 . 14 1 1 A 72 72 GLN H H 72 8.100 8.148 -0.048 1
1 847 . 14 1 1 A 72 72 GLN CA C 72 54.209 55.305 -1.096 1
1 848 . 14 1 1 A 72 72 GLN HA H 72 4.589 4.360 0.229 1
1 849 . 14 1 1 A 72 72 GLN CB C 72 31.142 29.952 1.190 1
1 856 . 14 1 1 A 72 72 GLN C C 72 174.254 176.065 -1.811 1
1 859 . 14 1 1 A 73 73 ALA N N 73 124.262 127.689 -3.427 1
1 860 . 14 1 1 A 73 73 ALA H H 73 8.452 8.371 0.081 1
1 861 . 14 1 1 A 73 73 ALA CA C 73 51.211 50.377 0.834 1
1 862 . 14 1 1 A 73 73 ALA HA H 73 4.500 4.265 0.235 1
1 863 . 14 1 1 A 73 73 ALA CB C 73 17.185 19.543 -2.358 1
1 867 . 14 1 1 A 73 73 ALA C C 73 176.548 175.811 0.737 1
1 868 . 14 1 1 A 74 74 PRO CA C 74 62.160 62.556 -0.396 1
1 869 . 14 1 1 A 74 74 PRO HA H 74 4.848 4.544 0.304 1
1 870 . 14 1 1 A 74 74 PRO CB C 74 32.897 33.214 -0.317 1
1 874 . 14 1 1 A 74 74 PRO C C 74 177.266 176.802 0.464 1
1 878 . 14 1 1 A 75 75 SER N N 75 115.398 115.448 -0.050 1
1 879 . 14 1 1 A 75 75 SER H H 75 9.293 8.670 0.623 1
1 880 . 14 1 1 A 75 75 SER CA C 75 61.024 60.116 0.908 1
1 881 . 14 1 1 A 75 75 SER HA H 75 4.154 4.418 -0.264 1
1 882 . 14 1 1 A 75 75 SER CB C 75 62.867 63.535 -0.668 1
1 884 . 14 1 1 A 75 75 SER C C 75 174.460 174.515 -0.055 1
1 886 . 14 1 1 A 76 76 GLY N N 76 106.233 106.319 -0.086 1
1 887 . 14 1 1 A 76 76 GLY H H 76 7.208 7.322 -0.114 1
1 888 . 14 1 1 A 76 76 GLY CA C 76 44.930 45.962 -1.032 1
1 889 . 14 1 1 A 76 76 GLY HA3 H 76 4.306 4.024 0.282 1
1 890 . 14 1 1 A 76 76 GLY C C 76 171.327 173.259 -1.932 1
1 891 . 14 1 1 A 76 76 GLY HA2 H 76 4.095 4.015 0.080 1
1 892 . 14 1 1 A 77 77 ASN CA C 77 53.060 53.151 -0.091 1
1 893 . 14 1 1 A 77 77 ASN HA H 77 5.001 4.942 0.059 1
1 894 . 14 1 1 A 77 77 ASN CB C 77 40.650 38.540 2.110 1
1 899 . 14 1 1 A 77 77 ASN C C 77 173.427 173.494 -0.067 1
1 901 . 14 1 1 A 78 78 THR N N 78 114.705 114.883 -0.178 1
1 902 . 14 1 1 A 78 78 THR H H 78 7.579 7.491 0.088 1
1 903 . 14 1 1 A 78 78 THR CA C 78 59.766 61.468 -1.702 1
1 904 . 14 1 1 A 78 78 THR HA H 78 5.174 5.093 0.081 1
1 905 . 14 1 1 A 78 78 THR CB C 78 71.855 71.531 0.324 1
1 911 . 14 1 1 A 78 78 THR C C 78 173.138 173.649 -0.511 1
1 912 . 14 1 1 A 79 79 VAL N N 79 123.606 126.006 -2.400 1
1 913 . 14 1 1 A 79 79 VAL H H 79 8.696 9.223 -0.527 1
1 914 . 14 1 1 A 79 79 VAL CA C 79 58.982 58.669 0.313 1
1 915 . 14 1 1 A 79 79 VAL HA H 79 4.495 4.429 0.066 1
1 916 . 14 1 1 A 79 79 VAL CB C 79 32.717 34.672 -1.955 1
1 926 . 14 1 1 A 79 79 VAL C C 79 174.289 174.055 0.234 1
1 927 . 14 1 1 A 80 80 PRO CA C 80 63.184 62.209 0.975 1
1 928 . 14 1 1 A 80 80 PRO HA H 80 4.160 4.697 -0.537 1
1 929 . 14 1 1 A 80 80 PRO CB C 80 33.128 32.054 1.074 1
1 935 . 14 1 1 A 80 80 PRO C C 80 174.009 177.629 -3.620 1
1 939 . 14 1 1 A 81 81 ALA N N 81 120.000 126.895 -6.895 1
1 940 . 14 1 1 A 81 81 ALA H H 81 8.371 8.505 -0.134 1
1 941 . 14 1 1 A 81 81 ALA CA C 81 51.951 53.481 -1.530 1
1 942 . 14 1 1 A 81 81 ALA HA H 81 3.715 4.015 -0.300 1
1 943 . 14 1 1 A 81 81 ALA CB C 81 20.029 18.768 1.261 1
1 947 . 14 1 1 A 81 81 ALA C C 81 176.740 177.532 -0.792 1
1 948 . 14 1 1 A 82 82 ARG N N 82 111.901 117.717 -5.816 1
1 949 . 14 1 1 A 82 82 ARG H H 82 8.724 7.610 1.114 1
1 950 . 14 1 1 A 82 82 ARG CA C 82 57.062 55.294 1.768 1
1 951 . 14 1 1 A 82 82 ARG HA H 82 3.665 4.544 -0.879 1
1 952 . 14 1 1 A 82 82 ARG CB C 82 26.959 30.327 -3.368 1
1 958 . 14 1 1 A 82 82 ARG C C 82 176.777 175.577 1.200 1
1 962 . 14 1 1 A 83 83 GLY N N 83 107.610 108.931 -1.321 1
1 963 . 14 1 1 A 83 83 GLY H H 83 9.251 7.351 1.900 1
1 964 . 14 1 1 A 83 83 GLY CA C 83 46.389 46.906 -0.517 1
1 965 . 14 1 1 A 83 83 GLY HA3 H 83 3.731 3.833 -0.102 1
1 966 . 14 1 1 A 83 83 GLY C C 83 176.193 174.848 1.345 1
1 967 . 14 1 1 A 83 83 GLY HA2 H 83 3.352 3.519 -0.167 1
1 968 . 14 1 1 A 84 84 GLY N N 84 106.030 106.315 -0.285 1
1 969 . 14 1 1 A 84 84 GLY H H 84 7.015 8.100 -1.085 1
1 970 . 14 1 1 A 84 84 GLY CA C 84 45.272 44.953 0.319 1
1 971 . 14 1 1 A 84 84 GLY HA3 H 84 3.537 3.997 -0.460 1
1 972 . 14 1 1 A 84 84 GLY C C 84 171.651 173.361 -1.710 1
1 973 . 14 1 1 A 84 84 GLY HA2 H 84 3.891 3.981 -0.090 1
1 974 . 14 1 1 A 85 85 LEU N N 85 120.524 120.994 -0.470 1
1 975 . 14 1 1 A 85 85 LEU H H 85 7.903 7.861 0.042 1
1 976 . 14 1 1 A 85 85 LEU CA C 85 53.494 51.125 2.369 1
1 977 . 14 1 1 A 85 85 LEU HA H 85 4.346 4.828 -0.482 1
1 978 . 14 1 1 A 85 85 LEU CB C 85 42.901 44.960 -2.059 1
1 990 . 14 1 1 A 85 85 LEU C C 85 174.362 174.780 -0.418 1
1 992 . 14 1 1 A 86 86 PRO CA C 86 62.752 62.146 0.606 1
1 993 . 14 1 1 A 86 86 PRO HA H 86 4.570 4.670 -0.100 1
1 994 . 14 1 1 A 86 86 PRO CB C 86 33.557 32.798 0.759 1
1 1000 . 14 1 1 A 86 86 PRO C C 86 178.338 175.494 2.844 1
1 1004 . 14 1 1 A 87 87 ILE N N 87 118.504 121.383 -2.879 1
1 1005 . 14 1 1 A 87 87 ILE H H 87 7.544 8.367 -0.823 1
1 1006 . 14 1 1 A 87 87 ILE CA C 87 60.571 60.266 0.305 1
1 1007 . 14 1 1 A 87 87 ILE HA H 87 4.021 4.758 -0.737 1
1 1008 . 14 1 1 A 87 87 ILE CB C 87 40.787 40.550 0.237 1
1 1020 . 14 1 1 A 87 87 ILE C C 87 175.620 175.734 -0.114 1
1 1022 . 14 1 1 A 88 88 THR N N 88 115.839 116.605 -0.766 1
1 1023 . 14 1 1 A 88 88 THR H H 88 8.788 8.946 -0.158 1
1 1024 . 14 1 1 A 88 88 THR CA C 88 58.935 60.177 -1.242 1
1 1025 . 14 1 1 A 88 88 THR HA H 88 5.678 5.494 0.184 1
1 1026 . 14 1 1 A 88 88 THR CB C 88 72.532 71.341 1.191 1
1 1032 . 14 1 1 A 88 88 THR C C 88 174.318 172.317 2.001 1
1 1033 . 14 1 1 A 89 89 GLN N N 89 121.295 123.367 -2.072 1
1 1034 . 14 1 1 A 89 89 GLN H H 89 8.399 9.078 -0.679 1
1 1035 . 14 1 1 A 89 89 GLN CA C 89 56.259 54.099 2.160 1
1 1036 . 14 1 1 A 89 89 GLN HA H 89 4.528 5.028 -0.500 1
1 1037 . 14 1 1 A 89 89 GLN CB C 89 30.760 31.981 -1.221 1
1 1044 . 14 1 1 A 89 89 GLN C C 89 172.439 173.711 -1.272 1
1 1047 . 14 1 1 A 90 90 LEU N N 90 129.715 128.195 1.520 1
1 1048 . 14 1 1 A 90 90 LEU H H 90 8.426 8.259 0.167 1
1 1049 . 14 1 1 A 90 90 LEU CA C 90 54.513 53.845 0.668 1
1 1050 . 14 1 1 A 90 90 LEU HA H 90 5.103 4.723 0.380 1
1 1051 . 14 1 1 A 90 90 LEU CB C 90 44.412 44.130 0.282 1
1 1063 . 14 1 1 A 90 90 LEU C C 90 175.027 174.429 0.598 1
1 1065 . 14 1 1 A 91 91 PHE N N 91 123.227 124.305 -1.078 1
1 1066 . 14 1 1 A 91 91 PHE H H 91 9.647 9.183 0.464 1
1 1067 . 14 1 1 A 91 91 PHE CA C 91 55.327 56.132 -0.805 1
1 1068 . 14 1 1 A 91 91 PHE HA H 91 5.064 5.424 -0.360 1
1 1069 . 14 1 1 A 91 91 PHE CB C 91 40.899 42.731 -1.832 1
1 1081 . 14 1 1 A 91 91 PHE C C 91 174.296 175.007 -0.711 1
1 1083 . 14 1 1 A 92 92 ARG N N 92 121.174 123.092 -1.918 1
1 1084 . 14 1 1 A 92 92 ARG H H 92 8.726 8.838 -0.112 1
1 1085 . 14 1 1 A 92 92 ARG CA C 92 55.046 55.388 -0.342 1
1 1086 . 14 1 1 A 92 92 ARG HA H 92 5.109 4.796 0.313 1
1 1087 . 14 1 1 A 92 92 ARG CB C 92 32.524 30.724 1.800 1
1 1093 . 14 1 1 A 92 92 ARG C C 92 175.154 175.131 0.023 1
1 1097 . 14 1 1 A 93 93 ILE N N 93 126.629 125.471 1.158 1
1 1098 . 14 1 1 A 93 93 ILE H H 93 9.599 8.732 0.867 1
1 1099 . 14 1 1 A 93 93 ILE CA C 93 59.538 59.589 -0.051 1
1 1100 . 14 1 1 A 93 93 ILE HA H 93 5.206 5.132 0.074 1
1 1101 . 14 1 1 A 93 93 ILE CB C 93 40.963 40.787 0.176 1
1 1113 . 14 1 1 A 93 93 ILE C C 93 174.400 174.360 0.040 1
1 1115 . 14 1 1 A 94 94 LEU N N 94 127.940 127.336 0.604 1
1 1116 . 14 1 1 A 94 94 LEU H H 94 8.853 9.005 -0.152 1
1 1117 . 14 1 1 A 94 94 LEU CA C 94 53.673 53.309 0.364 1
1 1118 . 14 1 1 A 94 94 LEU HA H 94 5.152 5.207 -0.055 1
1 1119 . 14 1 1 A 94 94 LEU CB C 94 44.245 43.318 0.927 1
1 1131 . 14 1 1 A 94 94 LEU C C 94 176.106 175.917 0.189 1
1 1133 . 14 1 1 A 95 95 ASN N N 95 119.567 122.529 -2.962 1
1 1134 . 14 1 1 A 95 95 ASN H H 95 9.271 9.173 0.098 1
1 1135 . 14 1 1 A 95 95 ASN CA C 95 49.634 50.743 -1.109 1
1 1136 . 14 1 1 A 95 95 ASN HA H 95 5.361 5.276 0.085 1
1 1137 . 14 1 1 A 95 95 ASN CB C 95 39.189 39.174 0.015 1
1 1142 . 14 1 1 A 95 95 ASN C C 95 173.779 173.889 -0.110 1
1 1144 . 14 1 1 A 96 96 PRO CA C 96 64.795 64.261 0.534 1
1 1145 . 14 1 1 A 96 96 PRO HA H 96 4.306 4.530 -0.224 1
1 1146 . 14 1 1 A 96 96 PRO CB C 96 32.010 31.844 0.166 1
1 1152 . 14 1 1 A 96 96 PRO C C 96 177.656 177.401 0.255 1
1 1156 . 14 1 1 A 97 97 ASN N N 97 114.343 114.895 -0.552 1
1 1157 . 14 1 1 A 97 97 ASN H H 97 8.840 7.737 1.103 1
1 1158 . 14 1 1 A 97 97 ASN CA C 97 52.889 52.901 -0.012 1
1 1159 . 14 1 1 A 97 97 ASN HA H 97 4.828 4.778 0.050 1
1 1160 . 14 1 1 A 97 97 ASN CB C 97 38.085 39.164 -1.079 1
1 1165 . 14 1 1 A 97 97 ASN C C 97 174.361 175.473 -1.112 1
1 1167 . 14 1 1 A 98 98 LYS N N 98 118.175 116.409 1.766 1
1 1168 . 14 1 1 A 98 98 LYS H H 98 7.735 7.688 0.047 1
1 1169 . 14 1 1 A 98 98 LYS CA C 98 57.625 57.231 0.394 1
1 1170 . 14 1 1 A 98 98 LYS HA H 98 3.780 4.064 -0.284 1
1 1171 . 14 1 1 A 98 98 LYS CB C 98 29.343 29.317 0.026 1
1 1179 . 14 1 1 A 98 98 LYS C C 98 174.779 174.743 0.036 1
1 1184 . 14 1 1 A 99 99 ALA N N 99 122.321 121.245 1.076 1
1 1185 . 14 1 1 A 99 99 ALA H H 99 8.454 7.902 0.552 1
1 1186 . 14 1 1 A 99 99 ALA CA C 99 49.893 48.923 0.970 1
1 1187 . 14 1 1 A 99 99 ALA HA H 99 4.415 4.734 -0.319 1
1 1188 . 14 1 1 A 99 99 ALA CB C 99 18.125 20.421 -2.296 1
1 1192 . 14 1 1 A 99 99 ALA C C 99 175.018 176.136 -1.118 1
1 1193 . 14 1 1 A 100 100 PRO CA C 100 62.082 62.703 -0.621 1
1 1194 . 14 1 1 A 100 100 PRO CB C 100 31.068 31.607 -0.539 1
1 1203 . 14 1 1 A 101 101 LEU H H 101 5.223 8.773 -3.550 1
1 1204 . 14 1 1 A 101 101 LEU CA C 101 55.181 53.219 1.962 1
1 1205 . 14 1 1 A 101 101 LEU HA H 101 3.758 4.872 -1.114 1
1 1206 . 14 1 1 A 101 101 LEU CB C 101 43.103 43.952 -0.849 1
1 1218 . 14 1 1 A 101 101 LEU C C 101 174.350 176.549 -2.199 1
1 1220 . 14 1 1 A 102 102 ARG N N 102 122.304 118.427 3.877 1
1 1221 . 14 1 1 A 102 102 ARG H H 102 6.412 8.465 -2.053 1
1 1222 . 14 1 1 A 102 102 ARG CA C 102 54.659 54.752 -0.093 1
1 1223 . 14 1 1 A 102 102 ARG HA H 102 4.500 4.949 -0.449 1
1 1224 . 14 1 1 A 102 102 ARG CB C 102 33.168 32.102 1.066 1
1 1230 . 14 1 1 A 102 102 ARG C C 102 173.625 174.457 -0.832 1
1 1234 . 14 1 1 A 103 103 LEU N N 103 119.849 121.495 -1.646 1
1 1235 . 14 1 1 A 103 103 LEU H H 103 8.301 8.666 -0.365 1
1 1236 . 14 1 1 A 103 103 LEU CA C 103 53.667 53.867 -0.200 1
1 1237 . 14 1 1 A 103 103 LEU HA H 103 4.886 5.033 -0.147 1
1 1238 . 14 1 1 A 103 103 LEU CB C 103 47.097 46.223 0.874 1
1 1250 . 14 1 1 A 103 103 LEU C C 103 173.874 173.874 0.000 1
1 1252 . 14 1 1 A 104 104 LYS N N 104 126.165 127.755 -1.590 1
1 1253 . 14 1 1 A 104 104 LYS H H 104 8.516 8.745 -0.229 1
1 1254 . 14 1 1 A 104 104 LYS CA C 104 55.117 54.752 0.365 1
1 1255 . 14 1 1 A 104 104 LYS HA H 104 4.773 4.939 -0.166 1
1 1256 . 14 1 1 A 104 104 LYS CB C 104 34.581 34.480 0.101 1
1 1264 . 14 1 1 A 104 104 LYS C C 104 174.980 174.819 0.161 1
1 1269 . 14 1 1 A 105 105 LEU N N 105 125.172 128.568 -3.396 1
1 1270 . 14 1 1 A 105 105 LEU H H 105 8.586 8.830 -0.244 1
1 1271 . 14 1 1 A 105 105 LEU CA C 105 53.059 53.130 -0.071 1
1 1272 . 14 1 1 A 105 105 LEU HA H 105 4.923 4.921 0.002 1
1 1273 . 14 1 1 A 105 105 LEU CB C 105 44.358 44.270 0.088 1
1 1285 . 14 1 1 A 105 105 LEU C C 105 174.037 175.016 -0.979 1
1 1287 . 14 1 1 A 106 106 ARG N N 106 119.880 123.596 -3.716 1
1 1288 . 14 1 1 A 106 106 ARG H H 106 8.363 9.024 -0.661 1
1 1289 . 14 1 1 A 106 106 ARG CA C 106 54.374 54.327 0.047 1
1 1290 . 14 1 1 A 106 106 ARG HA H 106 4.926 4.932 -0.006 1
1 1291 . 14 1 1 A 106 106 ARG CB C 106 32.783 33.448 -0.665 1
1 1297 . 14 1 1 A 106 106 ARG C C 106 174.611 174.282 0.329 1
1 1301 . 14 1 1 A 107 107 LEU N N 107 128.498 127.821 0.677 1
1 1302 . 14 1 1 A 107 107 LEU H H 107 9.260 8.763 0.497 1
1 1303 . 14 1 1 A 107 107 LEU CA C 107 52.942 53.377 -0.435 1
1 1304 . 14 1 1 A 107 107 LEU HA H 107 5.110 5.332 -0.222 1
1 1305 . 14 1 1 A 107 107 LEU CB C 107 45.279 44.119 1.160 1
1 1317 . 14 1 1 A 107 107 LEU C C 107 175.494 175.813 -0.319 1
1 1319 . 14 1 1 A 108 108 THR N N 108 114.947 116.235 -1.288 1
1 1320 . 14 1 1 A 108 108 THR H H 108 8.424 8.731 -0.307 1
1 1321 . 14 1 1 A 108 108 THR CA C 108 59.201 60.558 -1.357 1
1 1322 . 14 1 1 A 108 108 THR HA H 108 5.344 5.257 0.087 1
1 1323 . 14 1 1 A 108 108 THR CB C 108 71.413 70.963 0.450 1
1 1329 . 14 1 1 A 108 108 THR C C 108 172.424 173.293 -0.869 1
1 1330 . 14 1 1 A 109 109 TYR N N 109 114.691 120.382 -5.691 1
1 1331 . 14 1 1 A 109 109 TYR H H 109 8.056 9.067 -1.011 1
1 1332 . 14 1 1 A 109 109 TYR CA C 109 57.133 55.675 1.458 1
1 1333 . 14 1 1 A 109 109 TYR HA H 109 4.769 5.392 -0.623 1
1 1334 . 14 1 1 A 109 109 TYR CB C 109 38.008 41.291 -3.283 1
1 1344 . 14 1 1 A 109 109 TYR C C 109 171.790 172.235 -0.445 1
1 1346 . 14 1 1 A 110 110 ASP N N 110 119.179 119.591 -0.412 1
1 1347 . 14 1 1 A 110 110 ASP H H 110 9.332 8.435 0.897 1
1 1348 . 14 1 1 A 110 110 ASP CA C 110 53.147 53.299 -0.152 1
1 1349 . 14 1 1 A 110 110 ASP HA H 110 5.855 5.720 0.135 1
1 1350 . 14 1 1 A 110 110 ASP CB C 110 42.179 43.754 -1.575 1
1 1352 . 14 1 1 A 110 110 ASP C C 110 176.257 174.639 1.618 1
1 1354 . 14 1 1 A 111 111 HIS N N 111 122.092 124.071 -1.979 1
1 1355 . 14 1 1 A 111 111 HIS H H 111 8.993 9.143 -0.150 1
1 1356 . 14 1 1 A 111 111 HIS CA C 111 55.365 55.508 -0.143 1
1 1357 . 14 1 1 A 111 111 HIS HA H 111 4.768 4.990 -0.222 1
1 1358 . 14 1 1 A 111 111 HIS CB C 111 36.414 33.069 3.345 1
1 1364 . 14 1 1 A 111 111 HIS C C 111 175.420 174.630 0.790 1
1 1366 . 14 1 1 A 112 112 PHE N N 112 129.361 126.867 2.494 1
1 1367 . 14 1 1 A 112 112 PHE H H 112 10.128 9.769 0.359 1
1 1368 . 14 1 1 A 112 112 PHE CA C 112 59.353 59.138 0.215 1
1 1369 . 14 1 1 A 112 112 PHE HA H 112 3.972 4.118 -0.146 1
1 1370 . 14 1 1 A 112 112 PHE CB C 112 36.136 36.713 -0.577 1
1 1382 . 14 1 1 A 112 112 PHE C C 112 175.288 175.213 0.075 1
1 1384 . 14 1 1 A 113 113 HIS N N 113 109.753 109.139 0.614 1
1 1385 . 14 1 1 A 113 113 HIS H H 113 8.856 8.358 0.498 1
1 1386 . 14 1 1 A 113 113 HIS CA C 113 57.593 56.818 0.775 1
1 1387 . 14 1 1 A 113 113 HIS HA H 113 4.168 4.180 -0.012 1
1 1388 . 14 1 1 A 113 113 HIS CB C 113 27.575 27.062 0.513 1
1 1394 . 14 1 1 A 113 113 HIS C C 113 174.146 173.797 0.349 1
1 1396 . 14 1 1 A 114 114 GLN N N 114 118.510 116.844 1.666 1
1 1397 . 14 1 1 A 114 114 GLN H H 114 7.930 7.677 0.253 1
1 1398 . 14 1 1 A 114 114 GLN CA C 114 54.303 54.075 0.228 1
1 1399 . 14 1 1 A 114 114 GLN HA H 114 4.674 4.868 -0.194 1
1 1400 . 14 1 1 A 114 114 GLN CB C 114 31.548 33.198 -1.650 1
1 1407 . 14 1 1 A 114 114 GLN C C 114 174.702 174.746 -0.044 1
1 1410 . 14 1 1 A 115 115 SER N N 115 118.183 119.535 -1.352 1
1 1411 . 14 1 1 A 115 115 SER H H 115 8.528 8.761 -0.233 1
1 1412 . 14 1 1 A 115 115 SER CA C 115 57.665 59.397 -1.732 1
1 1413 . 14 1 1 A 115 115 SER HA H 115 5.112 4.650 0.462 1
1 1414 . 14 1 1 A 115 115 SER CB C 115 63.266 63.213 0.053 1
1 1416 . 14 1 1 A 115 115 SER C C 115 174.157 173.967 0.190 1
1 1418 . 14 1 1 A 116 116 VAL N N 116 130.788 127.164 3.624 1
1 1419 . 14 1 1 A 116 116 VAL H H 116 9.445 9.047 0.398 1
1 1420 . 14 1 1 A 116 116 VAL CA C 116 62.375 61.188 1.187 1
1 1421 . 14 1 1 A 116 116 VAL HA H 116 3.870 4.448 -0.578 1
1 1422 . 14 1 1 A 116 116 VAL CB C 116 32.564 33.062 -0.498 1
1 1432 . 14 1 1 A 116 116 VAL C C 116 175.674 174.401 1.273 1
1 1433 . 14 1 1 A 117 117 GLN N N 117 127.278 124.432 2.846 1
1 1434 . 14 1 1 A 117 117 GLN H H 117 8.612 8.947 -0.335 1
1 1435 . 14 1 1 A 117 117 GLN CA C 117 55.004 53.961 1.043 1
1 1436 . 14 1 1 A 117 117 GLN HA H 117 5.170 5.266 -0.096 1
1 1437 . 14 1 1 A 117 117 GLN CB C 117 31.166 32.020 -0.854 1
1 1444 . 14 1 1 A 117 117 GLN C C 117 174.229 174.572 -0.343 1
1 1447 . 14 1 1 A 118 118 GLU N N 118 125.633 123.464 2.169 1
1 1448 . 14 1 1 A 118 118 GLU H H 118 8.960 9.095 -0.135 1
1 1449 . 14 1 1 A 118 118 GLU CA C 118 54.799 54.534 0.265 1
1 1450 . 14 1 1 A 118 118 GLU HA H 118 4.869 5.142 -0.273 1
1 1451 . 14 1 1 A 118 118 GLU CB C 118 33.675 33.250 0.425 1
1 1455 . 14 1 1 A 118 118 GLU C C 118 174.340 174.916 -0.576 1
1 1458 . 14 1 1 A 119 119 ILE N N 119 123.525 124.059 -0.534 1
1 1459 . 14 1 1 A 119 119 ILE H H 119 8.683 8.910 -0.227 1
1 1460 . 14 1 1 A 119 119 ILE CA C 119 60.005 59.852 0.153 1
1 1461 . 14 1 1 A 119 119 ILE HA H 119 5.157 4.676 0.481 1
1 1462 . 14 1 1 A 119 119 ILE CB C 119 40.761 39.578 1.183 1
1 1474 . 14 1 1 A 119 119 ILE C C 119 175.386 175.385 0.001 1
1 1476 . 14 1 1 A 120 120 PHE N N 120 122.954 123.879 -0.925 1
1 1477 . 14 1 1 A 120 120 PHE H H 120 8.647 8.235 0.412 1
1 1478 . 14 1 1 A 120 120 PHE CA C 120 55.754 55.515 0.239 1
1 1479 . 14 1 1 A 120 120 PHE HA H 120 5.064 5.387 -0.323 1
1 1480 . 14 1 1 A 120 120 PHE CB C 120 39.904 42.565 -2.661 1
1 1492 . 14 1 1 A 120 120 PHE C C 120 172.536 172.782 -0.246 1
1 1494 . 14 1 1 A 121 121 GLU N N 121 120.205 119.179 1.026 1
1 1495 . 14 1 1 A 121 121 GLU H H 121 8.807 8.968 -0.161 1
1 1496 . 14 1 1 A 121 121 GLU CA C 121 54.976 54.943 0.033 1
1 1497 . 14 1 1 A 121 121 GLU HA H 121 4.795 5.212 -0.417 1
1 1498 . 14 1 1 A 121 121 GLU CB C 121 31.537 33.533 -1.996 1
1 1502 . 14 1 1 A 121 121 GLU C C 121 175.979 175.679 0.300 1
1 1505 . 14 1 1 A 122 122 VAL N N 122 124.567 124.332 0.235 1
1 1506 . 14 1 1 A 122 122 VAL H H 122 8.818 8.666 0.152 1
1 1507 . 14 1 1 A 122 122 VAL CA C 122 62.536 63.197 -0.661 1
1 1508 . 14 1 1 A 122 122 VAL HA H 122 4.300 4.160 0.140 1
1 1509 . 14 1 1 A 122 122 VAL CB C 122 32.136 31.905 0.231 1
1 1519 . 14 1 1 A 122 122 VAL C C 122 175.324 175.987 -0.663 1
1 1520 . 14 1 1 A 123 123 ASN N N 123 125.013 125.004 0.009 1
1 1521 . 14 1 1 A 123 123 ASN H H 123 8.770 8.886 -0.116 1
1 1522 . 14 1 1 A 123 123 ASN CA C 123 52.889 53.072 -0.183 1
1 1523 . 14 1 1 A 123 123 ASN HA H 123 5.072 5.086 -0.014 1
1 1524 . 14 1 1 A 123 123 ASN CB C 123 40.114 40.141 -0.027 1
1 1529 . 14 1 1 A 123 123 ASN C C 123 174.799 176.104 -1.305 1
1 1531 . 14 1 1 A 124 124 ASN N N 124 117.247 116.759 0.488 1
1 1532 . 14 1 1 A 124 124 ASN H H 124 8.599 8.163 0.436 1
1 1533 . 14 1 1 A 124 124 ASN CA C 124 52.853 52.825 0.028 1
1 1534 . 14 1 1 A 124 124 ASN HA H 124 4.721 4.925 -0.204 1
1 1535 . 14 1 1 A 124 124 ASN CB C 124 36.882 38.872 -1.990 1
1 1540 . 14 1 1 A 124 124 ASN C C 124 174.437 175.228 -0.791 1
1 1542 . 14 1 1 A 125 125 LEU N N 125 119.273 122.610 -3.337 1
1 1543 . 14 1 1 A 125 125 LEU H H 125 8.105 7.364 0.741 1
1 1544 . 14 1 1 A 125 125 LEU CA C 125 53.787 53.778 0.009 1
1 1545 . 14 1 1 A 125 125 LEU HA H 125 4.187 4.385 -0.198 1
1 1546 . 14 1 1 A 125 125 LEU CB C 125 40.398 41.748 -1.350 1
1 1558 . 14 1 1 A 125 125 LEU C C 125 175.528 174.773 0.755 1
1 1560 . 14 1 1 A 126 126 PRO CA C 126 62.439 62.488 -0.049 1
1 1561 . 14 1 1 A 126 126 PRO HA H 126 4.519 4.479 0.040 1
1 1562 . 14 1 1 A 126 126 PRO CB C 126 31.210 32.346 -1.136 1
1 1568 . 14 1 1 A 126 126 PRO C C 126 179.073 177.290 1.783 1
1 1572 . 14 1 1 A 127 127 VAL N N 127 124.759 123.234 1.525 1
1 1573 . 14 1 1 A 127 127 VAL H H 127 8.794 8.517 0.277 1
1 1574 . 14 1 1 A 127 127 VAL CA C 127 64.360 65.108 -0.748 1
1 1575 . 14 1 1 A 127 127 VAL HA H 127 3.216 3.597 -0.381 1
1 1576 . 14 1 1 A 127 127 VAL CB C 127 30.825 31.478 -0.653 1
1 1586 . 14 1 1 A 127 127 VAL C C 127 176.789 176.994 -0.205 1
1 1587 . 14 1 1 A 128 128 GLU N N 128 119.892 122.719 -2.827 1
1 1588 . 14 1 1 A 128 128 GLU H H 128 9.460 8.164 1.296 1
1 1589 . 14 1 1 A 128 128 GLU CA C 128 59.216 59.355 -0.139 1
1 1590 . 14 1 1 A 128 128 GLU HA H 128 3.831 3.825 0.006 1
1 1591 . 14 1 1 A 128 128 GLU CB C 128 29.188 29.077 0.111 1
1 1595 . 14 1 1 A 128 128 GLU C C 128 177.624 178.676 -1.052 1
1 1598 . 14 1 1 A 129 129 SER N N 129 112.727 113.605 -0.878 1
1 1599 . 14 1 1 A 129 129 SER H H 129 8.057 8.092 -0.035 1
1 1600 . 14 1 1 A 129 129 SER CA C 129 61.024 61.235 -0.211 1
1 1601 . 14 1 1 A 129 129 SER HA H 129 3.925 4.229 -0.304 1
1 1602 . 14 1 1 A 129 129 SER CB C 129 64.440 62.272 2.168 1
1 1604 . 14 1 1 A 129 129 SER C C 129 173.147 175.727 -2.580 1
1 1606 . 14 1 1 A 130 130 TRP N N 130 117.092 118.603 -1.511 1
1 1607 . 14 1 1 A 130 130 TRP H H 130 7.184 7.667 -0.483 1
1 1608 . 14 1 1 A 130 130 TRP CA C 130 57.027 58.154 -1.127 1
1 1609 . 14 1 1 A 130 130 TRP HA H 130 4.974 4.828 0.146 1
1 1610 . 14 1 1 A 130 130 TRP CB C 130 31.384 30.798 0.586 1
1 1624 . 14 1 1 A 130 130 TRP C C 130 174.759 177.263 -2.504 1
1 1 . 15 1 1 A 6 6 SER CA C 6 58.371 56.234 2.137 1
1 2 . 15 1 1 A 6 6 SER HA H 6 4.533 5.363 -0.830 1
1 3 . 15 1 1 A 6 6 SER CB C 6 63.994 66.269 -2.275 1
1 5 . 15 1 1 A 6 6 SER C C 6 174.472 173.560 0.912 1
1 7 . 15 1 1 A 7 7 GLY N N 7 110.741 112.618 -1.877 1
1 8 . 15 1 1 A 7 7 GLY H H 7 8.209 8.724 -0.515 1
1 9 . 15 1 1 A 7 7 GLY CA C 7 44.501 44.682 -0.181 1
1 10 . 15 1 1 A 7 7 GLY HA3 H 7 4.059 4.335 -0.276 1
1 11 . 15 1 1 A 7 7 GLY C C 7 171.084 172.491 -1.407 1
1 12 . 15 1 1 A 7 7 GLY HA2 H 7 4.155 4.335 -0.180 1
1 13 . 15 1 1 A 8 8 PRO CA C 8 61.515 62.161 -0.646 1
1 14 . 15 1 1 A 8 8 PRO HA H 8 4.713 4.599 0.114 1
1 15 . 15 1 1 A 8 8 PRO CB C 8 30.760 31.716 -0.956 1
1 24 . 15 1 1 A 9 9 PRO HA H 9 4.724 4.564 0.160 1
1 30 . 15 1 1 A 10 10 PRO CA C 10 62.761 62.455 0.306 1
1 31 . 15 1 1 A 10 10 PRO HA H 10 4.389 4.586 -0.197 1
1 32 . 15 1 1 A 10 10 PRO CB C 10 32.082 33.228 -1.146 1
1 37 . 15 1 1 A 10 10 PRO C C 10 176.236 175.340 0.896 1
1 41 . 15 1 1 A 11 11 ALA N N 11 125.926 121.403 4.523 1
1 42 . 15 1 1 A 11 11 ALA H H 11 8.352 8.229 0.123 1
1 43 . 15 1 1 A 11 11 ALA CA C 11 50.343 49.308 1.035 1
1 44 . 15 1 1 A 11 11 ALA HA H 11 4.583 4.804 -0.221 1
1 45 . 15 1 1 A 11 11 ALA CB C 11 18.255 20.267 -2.012 1
1 49 . 15 1 1 A 11 11 ALA C C 11 175.479 175.188 0.291 1
1 50 . 15 1 1 A 12 12 PRO CA C 12 62.757 62.227 0.530 1
1 51 . 15 1 1 A 12 12 PRO HA H 12 4.386 4.660 -0.274 1
1 52 . 15 1 1 A 12 12 PRO CB C 12 32.104 33.268 -1.164 1
1 57 . 15 1 1 A 12 12 PRO C C 12 176.478 175.354 1.124 1
1 61 . 15 1 1 A 13 13 ILE N N 13 124.607 121.140 3.467 1
1 62 . 15 1 1 A 13 13 ILE H H 13 8.661 8.355 0.306 1
1 63 . 15 1 1 A 13 13 ILE CA C 13 59.081 58.036 1.045 1
1 64 . 15 1 1 A 13 13 ILE HA H 13 4.288 4.504 -0.216 1
1 65 . 15 1 1 A 13 13 ILE CB C 13 39.710 39.358 0.352 1
1 77 . 15 1 1 A 13 13 ILE C C 13 174.727 174.478 0.249 1
1 79 . 15 1 1 A 14 14 PRO CA C 14 63.433 62.562 0.871 1
1 80 . 15 1 1 A 14 14 PRO HA H 14 4.457 4.572 -0.115 1
1 81 . 15 1 1 A 14 14 PRO CB C 14 32.428 32.060 0.368 1
1 86 . 15 1 1 A 14 14 PRO C C 14 175.380 176.521 -1.141 1
1 90 . 15 1 1 A 15 15 ASP N N 15 118.741 120.214 -1.473 1
1 91 . 15 1 1 A 15 15 ASP H H 15 8.042 8.491 -0.449 1
1 92 . 15 1 1 A 15 15 ASP CA C 15 54.213 53.613 0.600 1
1 93 . 15 1 1 A 15 15 ASP HA H 15 5.064 4.818 0.246 1
1 94 . 15 1 1 A 15 15 ASP CB C 15 41.793 41.176 0.617 1
1 96 . 15 1 1 A 15 15 ASP C C 15 176.413 176.011 0.402 1
1 98 . 15 1 1 A 16 16 LEU N N 16 121.451 122.155 -0.704 1
1 99 . 15 1 1 A 16 16 LEU H H 16 9.016 8.393 0.623 1
1 100 . 15 1 1 A 16 16 LEU CA C 16 53.914 53.584 0.330 1
1 101 . 15 1 1 A 16 16 LEU HA H 16 4.847 5.080 -0.233 1
1 102 . 15 1 1 A 16 16 LEU CB C 16 48.283 45.965 2.318 1
1 114 . 15 1 1 A 16 16 LEU C C 16 174.915 175.009 -0.094 1
1 116 . 15 1 1 A 17 17 LYS N N 17 130.346 122.063 8.283 1
1 117 . 15 1 1 A 17 17 LYS H H 17 8.937 8.825 0.112 1
1 118 . 15 1 1 A 17 17 LYS CA C 17 57.027 54.597 2.430 1
1 119 . 15 1 1 A 17 17 LYS HA H 17 4.821 5.153 -0.332 1
1 120 . 15 1 1 A 17 17 LYS CB C 17 31.991 34.634 -2.643 1
1 128 . 15 1 1 A 17 17 LYS C C 17 177.744 176.093 1.651 1
1 133 . 15 1 1 A 18 18 VAL N N 18 116.605 121.575 -4.970 1
1 134 . 15 1 1 A 18 18 VAL H H 18 8.228 8.275 -0.047 1
1 135 . 15 1 1 A 18 18 VAL CA C 18 60.586 61.812 -1.226 1
1 136 . 15 1 1 A 18 18 VAL HA H 18 4.807 4.250 0.557 1
1 137 . 15 1 1 A 18 18 VAL CB C 18 33.601 33.796 -0.195 1
1 147 . 15 1 1 A 18 18 VAL C C 18 174.118 175.464 -1.346 1
1 148 . 15 1 1 A 19 19 PHE N N 19 120.586 121.209 -0.623 1
1 149 . 15 1 1 A 19 19 PHE H H 19 7.429 7.013 0.416 1
1 150 . 15 1 1 A 19 19 PHE CA C 19 57.947 56.982 0.965 1
1 151 . 15 1 1 A 19 19 PHE HA H 19 4.544 4.612 -0.068 1
1 152 . 15 1 1 A 19 19 PHE CB C 19 43.455 42.568 0.887 1
1 162 . 15 1 1 A 19 19 PHE C C 19 172.947 173.018 -0.071 1
1 164 . 15 1 1 A 20 20 GLU N N 20 126.790 126.583 0.207 1
1 165 . 15 1 1 A 20 20 GLU H H 20 7.620 8.176 -0.556 1
1 166 . 15 1 1 A 20 20 GLU CA C 20 55.117 54.873 0.244 1
1 167 . 15 1 1 A 20 20 GLU HA H 20 5.059 4.783 0.276 1
1 168 . 15 1 1 A 20 20 GLU CB C 20 32.091 32.568 -0.477 1
1 172 . 15 1 1 A 20 20 GLU C C 20 174.073 173.713 0.360 1
1 175 . 15 1 1 A 21 21 ARG N N 21 125.153 128.006 -2.853 1
1 176 . 15 1 1 A 21 21 ARG H H 21 8.806 9.192 -0.386 1
1 177 . 15 1 1 A 21 21 ARG CA C 21 56.532 53.690 2.842 1
1 178 . 15 1 1 A 21 21 ARG HA H 21 4.234 4.667 -0.433 1
1 179 . 15 1 1 A 21 21 ARG CB C 21 33.707 33.567 0.140 1
1 185 . 15 1 1 A 21 21 ARG C C 21 176.293 177.327 -1.034 1
1 189 . 15 1 1 A 22 22 GLU N N 22 132.286 123.417 8.869 1
1 190 . 15 1 1 A 22 22 GLU H H 22 9.887 9.091 0.796 1
1 191 . 15 1 1 A 22 22 GLU CA C 22 57.271 58.425 -1.154 1
1 192 . 15 1 1 A 22 22 GLU HA H 22 3.968 4.127 -0.159 1
1 193 . 15 1 1 A 22 22 GLU CB C 22 28.595 28.948 -0.353 1
1 197 . 15 1 1 A 22 22 GLU C C 22 175.219 176.859 -1.640 1
1 200 . 15 1 1 A 23 23 GLY N N 23 103.445 107.909 -4.464 1
1 201 . 15 1 1 A 23 23 GLY H H 23 8.570 7.981 0.589 1
1 202 . 15 1 1 A 23 23 GLY CA C 23 45.698 46.303 -0.605 1
1 203 . 15 1 1 A 23 23 GLY HA3 H 23 4.242 4.192 0.050 1
1 204 . 15 1 1 A 23 23 GLY C C 23 173.517 174.026 -0.509 1
1 205 . 15 1 1 A 23 23 GLY HA2 H 23 3.658 4.186 -0.528 1
1 206 . 15 1 1 A 24 24 VAL N N 24 124.489 118.342 6.147 1
1 207 . 15 1 1 A 24 24 VAL H H 24 8.016 7.630 0.386 1
1 208 . 15 1 1 A 24 24 VAL CA C 24 61.341 62.112 -0.771 1
1 209 . 15 1 1 A 24 24 VAL HA H 24 4.780 4.445 0.335 1
1 210 . 15 1 1 A 24 24 VAL CB C 24 32.051 32.884 -0.833 1
1 220 . 15 1 1 A 24 24 VAL C C 24 175.459 174.914 0.545 1
1 221 . 15 1 1 A 25 25 GLN N N 25 123.296 123.608 -0.312 1
1 222 . 15 1 1 A 25 25 GLN H H 25 8.446 8.715 -0.269 1
1 223 . 15 1 1 A 25 25 GLN CA C 25 53.879 54.403 -0.524 1
1 224 . 15 1 1 A 25 25 GLN HA H 25 5.378 5.100 0.278 1
1 225 . 15 1 1 A 25 25 GLN CB C 25 33.065 32.306 0.759 1
1 232 . 15 1 1 A 25 25 GLN C C 25 174.348 173.978 0.370 1
1 235 . 15 1 1 A 26 26 LEU N N 26 120.847 127.631 -6.784 1
1 236 . 15 1 1 A 26 26 LEU H H 26 8.579 9.130 -0.551 1
1 237 . 15 1 1 A 26 26 LEU CA C 26 53.914 53.542 0.372 1
1 238 . 15 1 1 A 26 26 LEU HA H 26 5.400 5.273 0.127 1
1 239 . 15 1 1 A 26 26 LEU CB C 26 47.336 44.984 2.352 1
1 251 . 15 1 1 A 26 26 LEU C C 26 174.842 174.890 -0.048 1
1 253 . 15 1 1 A 27 27 ASN N N 27 124.346 124.170 0.176 1
1 254 . 15 1 1 A 27 27 ASN H H 27 8.738 8.869 -0.131 1
1 255 . 15 1 1 A 27 27 ASN CA C 27 52.063 51.850 0.213 1
1 256 . 15 1 1 A 27 27 ASN HA H 27 5.542 5.325 0.217 1
1 257 . 15 1 1 A 27 27 ASN CB C 27 43.866 42.207 1.659 1
1 262 . 15 1 1 A 27 27 ASN C C 27 173.520 173.644 -0.124 1
1 264 . 15 1 1 A 28 28 LEU N N 28 124.198 124.627 -0.429 1
1 265 . 15 1 1 A 28 28 LEU H H 28 9.406 8.964 0.442 1
1 266 . 15 1 1 A 28 28 LEU CA C 28 53.773 53.118 0.655 1
1 267 . 15 1 1 A 28 28 LEU HA H 28 4.995 5.176 -0.181 1
1 268 . 15 1 1 A 28 28 LEU CB C 28 44.307 45.842 -1.535 1
1 280 . 15 1 1 A 28 28 LEU C C 28 174.670 174.407 0.263 1
1 282 . 15 1 1 A 29 29 SER N N 29 115.017 122.594 -7.577 1
1 283 . 15 1 1 A 29 29 SER H H 29 8.314 8.295 0.019 1
1 284 . 15 1 1 A 29 29 SER CA C 29 56.340 57.180 -0.840 1
1 285 . 15 1 1 A 29 29 SER HA H 29 4.807 4.835 -0.028 1
1 286 . 15 1 1 A 29 29 SER CB C 29 65.926 65.568 0.358 1
1 288 . 15 1 1 A 29 29 SER C C 29 172.842 172.843 -0.001 1
1 290 . 15 1 1 A 30 30 PHE N N 30 119.941 123.855 -3.914 1
1 291 . 15 1 1 A 30 30 PHE H H 30 9.366 8.966 0.400 1
1 292 . 15 1 1 A 30 30 PHE CA C 30 57.047 56.499 0.548 1
1 293 . 15 1 1 A 30 30 PHE HA H 30 5.374 5.202 0.172 1
1 294 . 15 1 1 A 30 30 PHE CB C 30 44.307 42.163 2.144 1
1 306 . 15 1 1 A 30 30 PHE C C 30 175.242 175.160 0.082 1
1 308 . 15 1 1 A 31 31 ILE N N 31 122.161 121.619 0.542 1
1 309 . 15 1 1 A 31 31 ILE H H 31 8.950 8.840 0.110 1
1 310 . 15 1 1 A 31 31 ILE CA C 31 60.680 60.661 0.019 1
1 311 . 15 1 1 A 31 31 ILE HA H 31 4.338 4.868 -0.530 1
1 312 . 15 1 1 A 31 31 ILE CB C 31 42.354 41.084 1.270 1
1 324 . 15 1 1 A 31 31 ILE C C 31 174.368 175.239 -0.871 1
1 326 . 15 1 1 A 32 32 ARG N N 32 128.976 127.533 1.443 1
1 327 . 15 1 1 A 32 32 ARG H H 32 8.773 8.941 -0.168 1
1 328 . 15 1 1 A 32 32 ARG CA C 32 51.444 52.624 -1.180 1
1 329 . 15 1 1 A 32 32 ARG HA H 32 5.263 4.934 0.329 1
1 330 . 15 1 1 A 32 32 ARG CB C 32 29.600 31.267 -1.667 1
1 338 . 15 1 1 A 32 32 ARG C C 32 173.585 173.835 -0.250 1
1 342 . 15 1 1 A 33 33 PRO CA C 33 60.759 61.854 -1.095 1
1 343 . 15 1 1 A 33 33 PRO HA H 33 4.581 4.728 -0.147 1
1 344 . 15 1 1 A 33 33 PRO CB C 33 32.219 32.492 -0.273 1
1 353 . 15 1 1 A 34 34 PRO CA C 34 64.464 65.219 -0.755 1
1 354 . 15 1 1 A 34 34 PRO HA H 34 4.236 4.229 0.007 1
1 355 . 15 1 1 A 34 34 PRO CB C 34 31.997 32.046 -0.049 1
1 361 . 15 1 1 A 34 34 PRO C C 34 178.240 178.565 -0.325 1
1 365 . 15 1 1 A 35 35 GLU N N 35 115.025 116.059 -1.034 1
1 366 . 15 1 1 A 35 35 GLU H H 35 9.287 8.884 0.403 1
1 367 . 15 1 1 A 35 35 GLU CA C 35 57.753 58.906 -1.153 1
1 368 . 15 1 1 A 35 35 GLU HA H 35 4.205 4.133 0.072 1
1 369 . 15 1 1 A 35 35 GLU CB C 35 28.595 28.867 -0.272 1
1 373 . 15 1 1 A 35 35 GLU C C 35 176.471 176.983 -0.512 1
1 376 . 15 1 1 A 36 36 ASN N N 36 114.302 118.001 -3.699 1
1 377 . 15 1 1 A 36 36 ASN H H 36 7.257 7.911 -0.654 1
1 378 . 15 1 1 A 36 36 ASN CA C 36 50.593 50.334 0.259 1
1 379 . 15 1 1 A 36 36 ASN HA H 36 5.024 5.186 -0.162 1
1 380 . 15 1 1 A 36 36 ASN CB C 36 39.094 39.043 0.051 1
1 385 . 15 1 1 A 36 36 ASN C C 36 172.128 173.528 -1.400 1
1 387 . 15 1 1 A 37 37 PRO CA C 37 64.287 65.118 -0.831 1
1 388 . 15 1 1 A 37 37 PRO HA H 37 4.600 4.315 0.285 1
1 389 . 15 1 1 A 37 37 PRO CB C 37 32.235 32.067 0.168 1
1 394 . 15 1 1 A 37 37 PRO C C 37 176.707 177.945 -1.238 1
1 398 . 15 1 1 A 38 38 ALA N N 38 117.780 117.970 -0.190 1
1 399 . 15 1 1 A 38 38 ALA H H 38 7.596 8.068 -0.472 1
1 400 . 15 1 1 A 38 38 ALA CA C 38 52.674 53.063 -0.389 1
1 401 . 15 1 1 A 38 38 ALA HA H 38 4.262 4.306 -0.044 1
1 402 . 15 1 1 A 38 38 ALA CB C 38 19.201 19.203 -0.002 1
1 406 . 15 1 1 A 38 38 ALA C C 38 176.546 176.965 -0.419 1
1 407 . 15 1 1 A 39 39 LEU N N 39 122.870 121.188 1.682 1
1 408 . 15 1 1 A 39 39 LEU H H 39 7.963 7.145 0.818 1
1 409 . 15 1 1 A 39 39 LEU CA C 39 54.548 54.035 0.513 1
1 410 . 15 1 1 A 39 39 LEU HA H 39 4.953 5.060 -0.107 1
1 411 . 15 1 1 A 39 39 LEU CB C 39 44.768 44.542 0.226 1
1 423 . 15 1 1 A 39 39 LEU C C 39 173.627 175.411 -1.784 1
1 425 . 15 1 1 A 40 40 LEU N N 40 125.985 128.504 -2.519 1
1 426 . 15 1 1 A 40 40 LEU H H 40 9.247 9.088 0.159 1
1 427 . 15 1 1 A 40 40 LEU CA C 40 53.914 53.612 0.302 1
1 428 . 15 1 1 A 40 40 LEU HA H 40 5.018 5.130 -0.112 1
1 429 . 15 1 1 A 40 40 LEU CB C 40 45.014 44.430 0.584 1
1 441 . 15 1 1 A 40 40 LEU C C 40 174.170 174.792 -0.622 1
1 443 . 15 1 1 A 41 41 LEU N N 41 125.906 128.848 -2.942 1
1 444 . 15 1 1 A 41 41 LEU H H 41 9.224 9.025 0.199 1
1 445 . 15 1 1 A 41 41 LEU CA C 41 53.190 54.001 -0.811 1
1 446 . 15 1 1 A 41 41 LEU HA H 41 5.222 5.095 0.127 1
1 447 . 15 1 1 A 41 41 LEU CB C 41 42.034 42.041 -0.007 1
1 459 . 15 1 1 A 41 41 LEU C C 41 177.109 176.148 0.961 1
1 461 . 15 1 1 A 42 42 ILE N N 42 124.731 125.820 -1.089 1
1 462 . 15 1 1 A 42 42 ILE H H 42 9.087 8.889 0.198 1
1 463 . 15 1 1 A 42 42 ILE CA C 42 59.794 60.131 -0.337 1
1 464 . 15 1 1 A 42 42 ILE HA H 42 5.055 5.145 -0.090 1
1 465 . 15 1 1 A 42 42 ILE CB C 42 41.019 40.033 0.986 1
1 477 . 15 1 1 A 42 42 ILE C C 42 175.074 175.105 -0.031 1
1 479 . 15 1 1 A 43 43 THR N N 43 123.315 122.335 0.980 1
1 480 . 15 1 1 A 43 43 THR H H 43 8.589 9.201 -0.612 1
1 481 . 15 1 1 A 43 43 THR CA C 43 61.677 61.465 0.212 1
1 482 . 15 1 1 A 43 43 THR HA H 43 5.023 5.393 -0.370 1
1 483 . 15 1 1 A 43 43 THR CB C 43 69.838 71.700 -1.862 1
1 489 . 15 1 1 A 43 43 THR C C 43 174.993 173.283 1.710 1
1 490 . 15 1 1 A 44 44 ILE N N 44 126.677 125.565 1.112 1
1 491 . 15 1 1 A 44 44 ILE H H 44 9.329 9.121 0.208 1
1 492 . 15 1 1 A 44 44 ILE CA C 44 59.794 59.773 0.021 1
1 493 . 15 1 1 A 44 44 ILE HA H 44 4.953 5.192 -0.239 1
1 494 . 15 1 1 A 44 44 ILE CB C 44 38.754 40.869 -2.115 1
1 506 . 15 1 1 A 44 44 ILE C C 44 174.670 175.550 -0.880 1
1 508 . 15 1 1 A 45 45 THR N N 45 120.442 122.196 -1.754 1
1 509 . 15 1 1 A 45 45 THR H H 45 8.740 8.671 0.069 1
1 510 . 15 1 1 A 45 45 THR CA C 45 61.579 61.545 0.034 1
1 511 . 15 1 1 A 45 45 THR HA H 45 5.266 4.845 0.421 1
1 512 . 15 1 1 A 45 45 THR CB C 45 70.338 70.478 -0.140 1
1 518 . 15 1 1 A 45 45 THR C C 45 174.494 173.304 1.190 1
1 519 . 15 1 1 A 46 46 ALA N N 46 134.267 130.063 4.204 1
1 520 . 15 1 1 A 46 46 ALA H H 46 9.489 8.461 1.028 1
1 521 . 15 1 1 A 46 46 ALA CA C 46 49.846 50.757 -0.911 1
1 522 . 15 1 1 A 46 46 ALA HA H 46 5.554 4.630 0.924 1
1 523 . 15 1 1 A 46 46 ALA CB C 46 20.414 19.836 0.578 1
1 527 . 15 1 1 A 46 46 ALA C C 46 174.819 176.800 -1.981 1
1 528 . 15 1 1 A 47 47 THR N N 47 111.611 115.122 -3.511 1
1 529 . 15 1 1 A 47 47 THR H H 47 8.431 8.565 -0.134 1
1 530 . 15 1 1 A 47 47 THR CA C 47 59.331 59.940 -0.609 1
1 531 . 15 1 1 A 47 47 THR HA H 47 4.409 5.054 -0.645 1
1 532 . 15 1 1 A 47 47 THR CB C 47 71.655 70.553 1.102 1
1 538 . 15 1 1 A 47 47 THR C C 47 173.104 172.539 0.565 1
1 539 . 15 1 1 A 48 48 ASN N N 48 117.087 123.757 -6.670 1
1 540 . 15 1 1 A 48 48 ASN H H 48 8.647 8.492 0.155 1
1 541 . 15 1 1 A 48 48 ASN CA C 48 51.019 51.190 -0.171 1
1 542 . 15 1 1 A 48 48 ASN HA H 48 5.096 5.081 0.015 1
1 543 . 15 1 1 A 48 48 ASN CB C 48 39.880 41.424 -1.544 1
1 548 . 15 1 1 A 48 48 ASN C C 48 173.769 174.708 -0.939 1
1 550 . 15 1 1 A 49 49 PHE N N 49 123.238 124.345 -1.107 1
1 551 . 15 1 1 A 49 49 PHE H H 49 9.105 8.431 0.674 1
1 552 . 15 1 1 A 49 49 PHE CA C 49 57.422 57.478 -0.056 1
1 553 . 15 1 1 A 49 49 PHE HA H 49 4.601 4.884 -0.283 1
1 554 . 15 1 1 A 49 49 PHE CB C 49 38.770 39.781 -1.011 1
1 566 . 15 1 1 A 49 49 PHE C C 49 176.238 175.408 0.830 1
1 568 . 15 1 1 A 50 50 SER N N 50 118.477 113.872 4.605 1
1 569 . 15 1 1 A 50 50 SER H H 50 8.344 7.853 0.491 1
1 570 . 15 1 1 A 50 50 SER CA C 50 58.654 57.217 1.437 1
1 571 . 15 1 1 A 50 50 SER HA H 50 4.933 4.650 0.283 1
1 572 . 15 1 1 A 50 50 SER CB C 50 66.611 65.848 0.763 1
1 573 . 15 1 1 A 50 50 SER C C 50 173.089 175.413 -2.324 1
1 574 . 15 1 1 A 51 51 GLU N N 51 114.036 118.728 -4.692 1
1 575 . 15 1 1 A 51 51 GLU H H 51 9.051 8.981 0.070 1
1 576 . 15 1 1 A 51 51 GLU CA C 51 56.701 58.048 -1.347 1
1 577 . 15 1 1 A 51 51 GLU HA H 51 4.358 4.320 0.038 1
1 578 . 15 1 1 A 51 51 GLU CB C 51 30.323 30.661 -0.338 1
1 582 . 15 1 1 A 51 51 GLU C C 51 175.603 176.794 -1.191 1
1 585 . 15 1 1 A 52 52 GLY N N 52 109.625 107.622 2.003 1
1 586 . 15 1 1 A 52 52 GLY H H 52 8.525 7.854 0.671 1
1 587 . 15 1 1 A 52 52 GLY CA C 52 44.267 44.008 0.259 1
1 588 . 15 1 1 A 52 52 GLY HA3 H 52 4.505 3.717 0.788 1
1 589 . 15 1 1 A 52 52 GLY C C 52 173.168 172.410 0.758 1
1 590 . 15 1 1 A 52 52 GLY HA2 H 52 2.842 3.256 -0.414 1
1 591 . 15 1 1 A 53 53 ASP N N 53 125.175 120.893 4.282 1
1 592 . 15 1 1 A 53 53 ASP H H 53 9.001 8.491 0.510 1
1 593 . 15 1 1 A 53 53 ASP CA C 53 55.793 54.311 1.482 1
1 594 . 15 1 1 A 53 53 ASP HA H 53 4.082 4.969 -0.887 1
1 595 . 15 1 1 A 53 53 ASP CB C 53 40.522 42.240 -1.718 1
1 597 . 15 1 1 A 53 53 ASP C C 53 176.506 175.643 0.863 1
1 599 . 15 1 1 A 54 54 VAL N N 54 125.250 121.312 3.938 1
1 600 . 15 1 1 A 54 54 VAL H H 54 7.873 7.993 -0.120 1
1 601 . 15 1 1 A 54 54 VAL CA C 54 61.350 61.081 0.269 1
1 602 . 15 1 1 A 54 54 VAL HA H 54 4.759 5.059 -0.300 1
1 603 . 15 1 1 A 54 54 VAL CB C 54 32.808 34.579 -1.771 1
1 613 . 15 1 1 A 54 54 VAL C C 54 176.126 175.012 1.114 1
1 614 . 15 1 1 A 55 55 THR N N 55 116.888 117.094 -0.206 1
1 615 . 15 1 1 A 55 55 THR H H 55 9.004 8.656 0.348 1
1 616 . 15 1 1 A 55 55 THR CA C 55 59.194 59.671 -0.477 1
1 617 . 15 1 1 A 55 55 THR HA H 55 4.920 5.024 -0.104 1
1 618 . 15 1 1 A 55 55 THR CB C 55 72.508 72.144 0.364 1
1 624 . 15 1 1 A 55 55 THR C C 55 173.166 173.423 -0.257 1
1 625 . 15 1 1 A 56 56 HIS N N 56 115.667 116.721 -1.054 1
1 626 . 15 1 1 A 56 56 HIS H H 56 9.193 8.204 0.989 1
1 627 . 15 1 1 A 56 56 HIS CA C 56 56.363 56.589 -0.226 1
1 628 . 15 1 1 A 56 56 HIS HA H 56 4.153 4.073 0.080 1
1 629 . 15 1 1 A 56 56 HIS CB C 56 26.923 27.170 -0.247 1
1 635 . 15 1 1 A 56 56 HIS C C 56 173.611 173.837 -0.226 1
1 637 . 15 1 1 A 57 57 PHE N N 57 118.625 118.417 0.208 1
1 638 . 15 1 1 A 57 57 PHE H H 57 8.932 7.759 1.173 1
1 639 . 15 1 1 A 57 57 PHE CA C 57 59.503 57.941 1.562 1
1 640 . 15 1 1 A 57 57 PHE HA H 57 4.819 4.584 0.235 1
1 641 . 15 1 1 A 57 57 PHE CB C 57 39.871 39.553 0.318 1
1 653 . 15 1 1 A 57 57 PHE C C 57 176.025 174.954 1.071 1
1 655 . 15 1 1 A 58 58 ILE N N 58 131.418 128.172 3.246 1
1 656 . 15 1 1 A 58 58 ILE H H 58 8.989 8.472 0.517 1
1 657 . 15 1 1 A 58 58 ILE CA C 58 61.138 59.843 1.295 1
1 658 . 15 1 1 A 58 58 ILE HA H 58 4.001 4.422 -0.421 1
1 659 . 15 1 1 A 58 58 ILE CB C 58 41.349 40.977 0.372 1
1 671 . 15 1 1 A 58 58 ILE C C 58 173.046 173.777 -0.731 1
1 673 . 15 1 1 A 59 59 CYS N N 59 126.838 127.928 -1.090 1
1 674 . 15 1 1 A 59 59 CYS H H 59 8.844 8.703 0.141 1
1 675 . 15 1 1 A 59 59 CYS CA C 59 56.902 56.748 0.154 1
1 676 . 15 1 1 A 59 59 CYS HA H 59 5.044 5.053 -0.009 1
1 677 . 15 1 1 A 59 59 CYS CB C 59 28.363 29.603 -1.240 1
1 679 . 15 1 1 A 59 59 CYS C C 59 173.375 173.527 -0.152 1
1 681 . 15 1 1 A 60 60 GLN N N 60 126.903 126.291 0.612 1
1 682 . 15 1 1 A 60 60 GLN H H 60 8.929 8.546 0.383 1
1 683 . 15 1 1 A 60 60 GLN CA C 60 54.162 54.472 -0.310 1
1 684 . 15 1 1 A 60 60 GLN HA H 60 4.656 4.998 -0.342 1
1 685 . 15 1 1 A 60 60 GLN CB C 60 31.991 31.821 0.170 1
1 691 . 15 1 1 A 60 60 GLN C C 60 174.000 174.734 -0.734 1
1 694 . 15 1 1 A 61 61 ALA N N 61 124.049 121.252 2.797 1
1 695 . 15 1 1 A 61 61 ALA H H 61 8.178 8.585 -0.407 1
1 696 . 15 1 1 A 61 61 ALA CA C 61 50.160 51.286 -1.126 1
1 697 . 15 1 1 A 61 61 ALA HA H 61 5.192 5.226 -0.034 1
1 698 . 15 1 1 A 61 61 ALA CB C 61 23.419 23.965 -0.546 1
1 702 . 15 1 1 A 61 61 ALA C C 61 175.076 175.474 -0.398 1
1 703 . 15 1 1 A 62 62 ALA N N 62 121.362 120.528 0.834 1
1 704 . 15 1 1 A 62 62 ALA H H 62 8.488 8.399 0.089 1
1 705 . 15 1 1 A 62 62 ALA CA C 62 51.309 51.530 -0.221 1
1 706 . 15 1 1 A 62 62 ALA HA H 62 4.667 5.057 -0.390 1
1 707 . 15 1 1 A 62 62 ALA CB C 62 22.617 22.492 0.125 1
1 711 . 15 1 1 A 62 62 ALA C C 62 176.013 176.006 0.007 1
1 712 . 15 1 1 A 63 63 VAL N N 63 113.572 117.240 -3.668 1
1 713 . 15 1 1 A 63 63 VAL H H 63 8.271 8.692 -0.421 1
1 714 . 15 1 1 A 63 63 VAL CA C 63 57.691 57.918 -0.227 1
1 715 . 15 1 1 A 63 63 VAL HA H 63 5.045 4.958 0.087 1
1 716 . 15 1 1 A 63 63 VAL CB C 63 32.968 33.987 -1.019 1
1 726 . 15 1 1 A 63 63 VAL C C 63 173.707 173.695 0.012 1
1 727 . 15 1 1 A 64 64 PRO CA C 64 62.757 62.464 0.293 1
1 728 . 15 1 1 A 64 64 PRO HA H 64 4.459 4.596 -0.137 1
1 729 . 15 1 1 A 64 64 PRO CB C 64 32.728 32.512 0.216 1
1 735 . 15 1 1 A 64 64 PRO C C 64 176.348 177.774 -1.426 1
1 739 . 15 1 1 A 65 65 LYS N N 65 118.624 123.495 -4.871 1
1 740 . 15 1 1 A 65 65 LYS H H 65 8.323 9.064 -0.741 1
1 741 . 15 1 1 A 65 65 LYS CA C 65 58.516 59.540 -1.024 1
1 742 . 15 1 1 A 65 65 LYS HA H 65 4.183 3.935 0.248 1
1 743 . 15 1 1 A 65 65 LYS CB C 65 32.320 32.199 0.121 1
1 751 . 15 1 1 A 65 65 LYS C C 65 176.595 178.252 -1.657 1
1 756 . 15 1 1 A 66 66 SER N N 66 111.762 116.057 -4.295 1
1 757 . 15 1 1 A 66 66 SER H H 66 7.779 8.004 -0.225 1
1 758 . 15 1 1 A 66 66 SER CA C 66 59.298 62.389 -3.091 1
1 759 . 15 1 1 A 66 66 SER HA H 66 4.234 4.123 0.111 1
1 760 . 15 1 1 A 66 66 SER CB C 66 62.984 62.788 0.196 1
1 762 . 15 1 1 A 66 66 SER C C 66 174.137 174.720 -0.583 1
1 764 . 15 1 1 A 67 67 LEU N N 67 124.569 118.649 5.920 1
1 765 . 15 1 1 A 67 67 LEU H H 67 8.109 7.814 0.295 1
1 766 . 15 1 1 A 67 67 LEU CA C 67 54.940 53.029 1.911 1
1 767 . 15 1 1 A 67 67 LEU HA H 67 4.836 5.094 -0.258 1
1 768 . 15 1 1 A 67 67 LEU CB C 67 43.882 44.813 -0.931 1
1 780 . 15 1 1 A 67 67 LEU C C 67 174.925 175.440 -0.515 1
1 782 . 15 1 1 A 68 68 GLN N N 68 117.163 121.194 -4.031 1
1 783 . 15 1 1 A 68 68 GLN H H 68 8.063 8.930 -0.867 1
1 784 . 15 1 1 A 68 68 GLN CA C 68 54.829 54.353 0.476 1
1 785 . 15 1 1 A 68 68 GLN HA H 68 4.674 5.207 -0.533 1
1 786 . 15 1 1 A 68 68 GLN CB C 68 31.579 31.822 -0.243 1
1 793 . 15 1 1 A 68 68 GLN C C 68 174.077 174.046 0.031 1
1 796 . 15 1 1 A 69 69 LEU N N 69 126.046 124.186 1.860 1
1 797 . 15 1 1 A 69 69 LEU H H 69 8.676 8.804 -0.128 1
1 798 . 15 1 1 A 69 69 LEU CA C 69 54.073 53.806 0.267 1
1 799 . 15 1 1 A 69 69 LEU HA H 69 5.231 5.241 -0.010 1
1 800 . 15 1 1 A 69 69 LEU CB C 69 45.602 46.740 -1.138 1
1 811 . 15 1 1 A 69 69 LEU C C 69 175.497 174.509 0.988 1
1 813 . 15 1 1 A 70 70 GLN N N 70 126.758 124.868 1.890 1
1 814 . 15 1 1 A 70 70 GLN H H 70 9.410 8.871 0.539 1
1 815 . 15 1 1 A 70 70 GLN CA C 70 54.657 54.862 -0.205 1
1 816 . 15 1 1 A 70 70 GLN HA H 70 4.746 4.831 -0.085 1
1 817 . 15 1 1 A 70 70 GLN CB C 70 31.537 32.472 -0.935 1
1 824 . 15 1 1 A 70 70 GLN C C 70 174.686 173.858 0.828 1
1 827 . 15 1 1 A 71 71 LEU N N 71 126.413 128.295 -1.882 1
1 828 . 15 1 1 A 71 71 LEU H H 71 8.936 8.718 0.218 1
1 829 . 15 1 1 A 71 71 LEU CA C 71 55.294 54.029 1.265 1
1 830 . 15 1 1 A 71 71 LEU HA H 71 4.752 4.567 0.185 1
1 831 . 15 1 1 A 71 71 LEU CB C 71 43.898 43.256 0.642 1
1 843 . 15 1 1 A 71 71 LEU C C 71 176.498 175.307 1.191 1
1 845 . 15 1 1 A 72 72 GLN N N 72 121.553 127.445 -5.892 1
1 846 . 15 1 1 A 72 72 GLN H H 72 8.100 8.129 -0.029 1
1 847 . 15 1 1 A 72 72 GLN CA C 72 54.209 54.962 -0.753 1
1 848 . 15 1 1 A 72 72 GLN HA H 72 4.589 4.484 0.105 1
1 849 . 15 1 1 A 72 72 GLN CB C 72 31.142 30.085 1.057 1
1 856 . 15 1 1 A 72 72 GLN C C 72 174.254 175.888 -1.634 1
1 859 . 15 1 1 A 73 73 ALA N N 73 124.262 128.220 -3.958 1
1 860 . 15 1 1 A 73 73 ALA H H 73 8.452 8.405 0.047 1
1 861 . 15 1 1 A 73 73 ALA CA C 73 51.211 50.687 0.524 1
1 862 . 15 1 1 A 73 73 ALA HA H 73 4.500 4.198 0.302 1
1 863 . 15 1 1 A 73 73 ALA CB C 73 17.185 18.498 -1.313 1
1 867 . 15 1 1 A 73 73 ALA C C 73 176.548 175.812 0.736 1
1 868 . 15 1 1 A 74 74 PRO CA C 74 62.160 62.325 -0.165 1
1 869 . 15 1 1 A 74 74 PRO HA H 74 4.848 4.554 0.294 1
1 870 . 15 1 1 A 74 74 PRO CB C 74 32.897 33.265 -0.368 1
1 874 . 15 1 1 A 74 74 PRO C C 74 177.266 176.318 0.948 1
1 878 . 15 1 1 A 75 75 SER N N 75 115.398 115.477 -0.079 1
1 879 . 15 1 1 A 75 75 SER H H 75 9.293 8.754 0.539 1
1 880 . 15 1 1 A 75 75 SER CA C 75 61.024 58.676 2.348 1
1 881 . 15 1 1 A 75 75 SER HA H 75 4.154 4.529 -0.375 1
1 882 . 15 1 1 A 75 75 SER CB C 75 62.867 64.705 -1.838 1
1 884 . 15 1 1 A 75 75 SER C C 75 174.460 173.888 0.572 1
1 886 . 15 1 1 A 76 76 GLY N N 76 106.233 107.538 -1.305 1
1 887 . 15 1 1 A 76 76 GLY H H 76 7.208 7.357 -0.149 1
1 888 . 15 1 1 A 76 76 GLY CA C 76 44.930 45.837 -0.907 1
1 889 . 15 1 1 A 76 76 GLY HA3 H 76 4.306 4.003 0.303 1
1 890 . 15 1 1 A 76 76 GLY C C 76 171.327 172.707 -1.380 1
1 891 . 15 1 1 A 76 76 GLY HA2 H 76 4.095 3.986 0.109 1
1 892 . 15 1 1 A 77 77 ASN CA C 77 53.060 52.729 0.331 1
1 893 . 15 1 1 A 77 77 ASN HA H 77 5.001 5.066 -0.065 1
1 894 . 15 1 1 A 77 77 ASN CB C 77 40.650 39.392 1.258 1
1 899 . 15 1 1 A 77 77 ASN C C 77 173.427 173.709 -0.282 1
1 901 . 15 1 1 A 78 78 THR N N 78 114.705 115.478 -0.773 1
1 902 . 15 1 1 A 78 78 THR H H 78 7.579 7.559 0.020 1
1 903 . 15 1 1 A 78 78 THR CA C 78 59.766 61.213 -1.447 1
1 904 . 15 1 1 A 78 78 THR HA H 78 5.174 5.197 -0.023 1
1 905 . 15 1 1 A 78 78 THR CB C 78 71.855 72.483 -0.628 1
1 911 . 15 1 1 A 78 78 THR C C 78 173.138 173.187 -0.049 1
1 912 . 15 1 1 A 79 79 VAL N N 79 123.606 125.763 -2.157 1
1 913 . 15 1 1 A 79 79 VAL H H 79 8.696 9.378 -0.682 1
1 914 . 15 1 1 A 79 79 VAL CA C 79 58.982 58.791 0.191 1
1 915 . 15 1 1 A 79 79 VAL HA H 79 4.495 4.458 0.037 1
1 916 . 15 1 1 A 79 79 VAL CB C 79 32.717 35.615 -2.898 1
1 926 . 15 1 1 A 79 79 VAL C C 79 174.289 173.865 0.424 1
1 927 . 15 1 1 A 80 80 PRO CA C 80 63.184 62.773 0.411 1
1 928 . 15 1 1 A 80 80 PRO HA H 80 4.160 4.753 -0.593 1
1 929 . 15 1 1 A 80 80 PRO CB C 80 33.128 32.554 0.574 1
1 935 . 15 1 1 A 80 80 PRO C C 80 174.009 176.653 -2.644 1
1 939 . 15 1 1 A 81 81 ALA N N 81 120.000 124.854 -4.854 1
1 940 . 15 1 1 A 81 81 ALA H H 81 8.371 7.988 0.383 1
1 941 . 15 1 1 A 81 81 ALA CA C 81 51.951 52.406 -0.455 1
1 942 . 15 1 1 A 81 81 ALA HA H 81 3.715 4.450 -0.735 1
1 943 . 15 1 1 A 81 81 ALA CB C 81 20.029 19.209 0.820 1
1 947 . 15 1 1 A 81 81 ALA C C 81 176.740 177.689 -0.949 1
1 948 . 15 1 1 A 82 82 ARG N N 82 111.901 117.774 -5.873 1
1 949 . 15 1 1 A 82 82 ARG H H 82 8.724 7.766 0.958 1
1 950 . 15 1 1 A 82 82 ARG CA C 82 57.062 55.134 1.928 1
1 951 . 15 1 1 A 82 82 ARG HA H 82 3.665 4.629 -0.964 1
1 952 . 15 1 1 A 82 82 ARG CB C 82 26.959 30.803 -3.844 1
1 958 . 15 1 1 A 82 82 ARG C C 82 176.777 175.965 0.812 1
1 962 . 15 1 1 A 83 83 GLY N N 83 107.610 109.380 -1.770 1
1 963 . 15 1 1 A 83 83 GLY H H 83 9.251 7.544 1.707 1
1 964 . 15 1 1 A 83 83 GLY CA C 83 46.389 47.188 -0.799 1
1 965 . 15 1 1 A 83 83 GLY HA3 H 83 3.731 4.256 -0.525 1
1 966 . 15 1 1 A 83 83 GLY C C 83 176.193 175.016 1.177 1
1 967 . 15 1 1 A 83 83 GLY HA2 H 83 3.352 4.128 -0.776 1
1 968 . 15 1 1 A 84 84 GLY N N 84 106.030 106.794 -0.764 1
1 969 . 15 1 1 A 84 84 GLY H H 84 7.015 8.209 -1.194 1
1 970 . 15 1 1 A 84 84 GLY CA C 84 45.272 45.147 0.125 1
1 971 . 15 1 1 A 84 84 GLY HA3 H 84 3.537 4.011 -0.474 1
1 972 . 15 1 1 A 84 84 GLY C C 84 171.651 173.449 -1.798 1
1 973 . 15 1 1 A 84 84 GLY HA2 H 84 3.891 3.986 -0.095 1
1 974 . 15 1 1 A 85 85 LEU N N 85 120.524 120.881 -0.357 1
1 975 . 15 1 1 A 85 85 LEU H H 85 7.903 7.916 -0.013 1
1 976 . 15 1 1 A 85 85 LEU CA C 85 53.494 51.213 2.281 1
1 977 . 15 1 1 A 85 85 LEU HA H 85 4.346 4.861 -0.515 1
1 978 . 15 1 1 A 85 85 LEU CB C 85 42.901 44.861 -1.960 1
1 990 . 15 1 1 A 85 85 LEU C C 85 174.362 174.888 -0.526 1
1 992 . 15 1 1 A 86 86 PRO CA C 86 62.752 62.265 0.487 1
1 993 . 15 1 1 A 86 86 PRO HA H 86 4.570 4.576 -0.006 1
1 994 . 15 1 1 A 86 86 PRO CB C 86 33.557 32.511 1.046 1
1 1000 . 15 1 1 A 86 86 PRO C C 86 178.338 175.505 2.833 1
1 1004 . 15 1 1 A 87 87 ILE N N 87 118.504 121.950 -3.446 1
1 1005 . 15 1 1 A 87 87 ILE H H 87 7.544 7.850 -0.306 1
1 1006 . 15 1 1 A 87 87 ILE CA C 87 60.571 60.631 -0.060 1
1 1007 . 15 1 1 A 87 87 ILE HA H 87 4.021 4.702 -0.681 1
1 1008 . 15 1 1 A 87 87 ILE CB C 87 40.787 39.657 1.130 1
1 1020 . 15 1 1 A 87 87 ILE C C 87 175.620 175.762 -0.142 1
1 1022 . 15 1 1 A 88 88 THR N N 88 115.839 117.045 -1.206 1
1 1023 . 15 1 1 A 88 88 THR H H 88 8.788 9.044 -0.256 1
1 1024 . 15 1 1 A 88 88 THR CA C 88 58.935 59.458 -0.523 1
1 1025 . 15 1 1 A 88 88 THR HA H 88 5.678 5.661 0.017 1
1 1026 . 15 1 1 A 88 88 THR CB C 88 72.532 72.168 0.364 1
1 1032 . 15 1 1 A 88 88 THR C C 88 174.318 173.620 0.698 1
1 1033 . 15 1 1 A 89 89 GLN N N 89 121.295 118.934 2.361 1
1 1034 . 15 1 1 A 89 89 GLN H H 89 8.399 8.718 -0.319 1
1 1035 . 15 1 1 A 89 89 GLN CA C 89 56.259 54.330 1.929 1
1 1036 . 15 1 1 A 89 89 GLN HA H 89 4.528 4.978 -0.450 1
1 1037 . 15 1 1 A 89 89 GLN CB C 89 30.760 32.980 -2.220 1
1 1044 . 15 1 1 A 89 89 GLN C C 89 172.439 174.104 -1.665 1
1 1047 . 15 1 1 A 90 90 LEU N N 90 129.715 123.680 6.035 1
1 1048 . 15 1 1 A 90 90 LEU H H 90 8.426 8.551 -0.125 1
1 1049 . 15 1 1 A 90 90 LEU CA C 90 54.513 52.841 1.672 1
1 1050 . 15 1 1 A 90 90 LEU HA H 90 5.103 5.287 -0.184 1
1 1051 . 15 1 1 A 90 90 LEU CB C 90 44.412 46.230 -1.818 1
1 1063 . 15 1 1 A 90 90 LEU C C 90 175.027 173.712 1.315 1
1 1065 . 15 1 1 A 91 91 PHE N N 91 123.227 123.755 -0.528 1
1 1066 . 15 1 1 A 91 91 PHE H H 91 9.647 9.169 0.478 1
1 1067 . 15 1 1 A 91 91 PHE CA C 91 55.327 56.365 -1.038 1
1 1068 . 15 1 1 A 91 91 PHE HA H 91 5.064 5.452 -0.388 1
1 1069 . 15 1 1 A 91 91 PHE CB C 91 40.899 41.306 -0.407 1
1 1081 . 15 1 1 A 91 91 PHE C C 91 174.296 174.713 -0.417 1
1 1083 . 15 1 1 A 92 92 ARG N N 92 121.174 124.587 -3.413 1
1 1084 . 15 1 1 A 92 92 ARG H H 92 8.726 8.488 0.238 1
1 1085 . 15 1 1 A 92 92 ARG CA C 92 55.046 56.068 -1.022 1
1 1086 . 15 1 1 A 92 92 ARG HA H 92 5.109 4.742 0.367 1
1 1087 . 15 1 1 A 92 92 ARG CB C 92 32.524 30.952 1.572 1
1 1093 . 15 1 1 A 92 92 ARG C C 92 175.154 175.087 0.067 1
1 1097 . 15 1 1 A 93 93 ILE N N 93 126.629 125.337 1.292 1
1 1098 . 15 1 1 A 93 93 ILE H H 93 9.599 8.837 0.762 1
1 1099 . 15 1 1 A 93 93 ILE CA C 93 59.538 59.910 -0.372 1
1 1100 . 15 1 1 A 93 93 ILE HA H 93 5.206 5.361 -0.155 1
1 1101 . 15 1 1 A 93 93 ILE CB C 93 40.963 41.248 -0.285 1
1 1113 . 15 1 1 A 93 93 ILE C C 93 174.400 174.955 -0.555 1
1 1115 . 15 1 1 A 94 94 LEU N N 94 127.940 126.819 1.121 1
1 1116 . 15 1 1 A 94 94 LEU H H 94 8.853 8.959 -0.106 1
1 1117 . 15 1 1 A 94 94 LEU CA C 94 53.673 53.145 0.528 1
1 1118 . 15 1 1 A 94 94 LEU HA H 94 5.152 5.117 0.035 1
1 1119 . 15 1 1 A 94 94 LEU CB C 94 44.245 43.804 0.441 1
1 1131 . 15 1 1 A 94 94 LEU C C 94 176.106 175.603 0.503 1
1 1133 . 15 1 1 A 95 95 ASN N N 95 119.567 122.662 -3.095 1
1 1134 . 15 1 1 A 95 95 ASN H H 95 9.271 9.090 0.181 1
1 1135 . 15 1 1 A 95 95 ASN CA C 95 49.634 50.730 -1.096 1
1 1136 . 15 1 1 A 95 95 ASN HA H 95 5.361 5.265 0.096 1
1 1137 . 15 1 1 A 95 95 ASN CB C 95 39.189 39.160 0.029 1
1 1142 . 15 1 1 A 95 95 ASN C C 95 173.779 173.971 -0.192 1
1 1144 . 15 1 1 A 96 96 PRO CA C 96 64.795 64.484 0.311 1
1 1145 . 15 1 1 A 96 96 PRO HA H 96 4.306 4.468 -0.162 1
1 1146 . 15 1 1 A 96 96 PRO CB C 96 32.010 31.968 0.042 1
1 1152 . 15 1 1 A 96 96 PRO C C 96 177.656 177.434 0.222 1
1 1156 . 15 1 1 A 97 97 ASN N N 97 114.343 114.709 -0.366 1
1 1157 . 15 1 1 A 97 97 ASN H H 97 8.840 7.857 0.983 1
1 1158 . 15 1 1 A 97 97 ASN CA C 97 52.889 53.225 -0.336 1
1 1159 . 15 1 1 A 97 97 ASN HA H 97 4.828 4.773 0.055 1
1 1160 . 15 1 1 A 97 97 ASN CB C 97 38.085 38.464 -0.379 1
1 1165 . 15 1 1 A 97 97 ASN C C 97 174.361 174.576 -0.215 1
1 1167 . 15 1 1 A 98 98 LYS N N 98 118.175 115.945 2.230 1
1 1168 . 15 1 1 A 98 98 LYS H H 98 7.735 7.587 0.148 1
1 1169 . 15 1 1 A 98 98 LYS CA C 98 57.625 57.253 0.372 1
1 1170 . 15 1 1 A 98 98 LYS HA H 98 3.780 3.867 -0.087 1
1 1171 . 15 1 1 A 98 98 LYS CB C 98 29.343 29.260 0.083 1
1 1179 . 15 1 1 A 98 98 LYS C C 98 174.779 174.825 -0.046 1
1 1184 . 15 1 1 A 99 99 ALA N N 99 122.321 121.251 1.070 1
1 1185 . 15 1 1 A 99 99 ALA H H 99 8.454 7.850 0.604 1
1 1186 . 15 1 1 A 99 99 ALA CA C 99 49.893 48.872 1.021 1
1 1187 . 15 1 1 A 99 99 ALA HA H 99 4.415 4.612 -0.197 1
1 1188 . 15 1 1 A 99 99 ALA CB C 99 18.125 20.256 -2.131 1
1 1192 . 15 1 1 A 99 99 ALA C C 99 175.018 176.164 -1.146 1
1 1193 . 15 1 1 A 100 100 PRO CA C 100 62.082 62.424 -0.342 1
1 1194 . 15 1 1 A 100 100 PRO CB C 100 31.068 30.457 0.611 1
1 1203 . 15 1 1 A 101 101 LEU H H 101 5.223 8.327 -3.104 1
1 1204 . 15 1 1 A 101 101 LEU CA C 101 55.181 53.242 1.939 1
1 1205 . 15 1 1 A 101 101 LEU HA H 101 3.758 4.905 -1.147 1
1 1206 . 15 1 1 A 101 101 LEU CB C 101 43.103 43.578 -0.475 1
1 1218 . 15 1 1 A 101 101 LEU C C 101 174.350 176.327 -1.977 1
1 1220 . 15 1 1 A 102 102 ARG N N 102 122.304 120.009 2.295 1
1 1221 . 15 1 1 A 102 102 ARG H H 102 6.412 8.324 -1.912 1
1 1222 . 15 1 1 A 102 102 ARG CA C 102 54.659 54.392 0.267 1
1 1223 . 15 1 1 A 102 102 ARG HA H 102 4.500 4.928 -0.428 1
1 1224 . 15 1 1 A 102 102 ARG CB C 102 33.168 32.969 0.199 1
1 1230 . 15 1 1 A 102 102 ARG C C 102 173.625 174.856 -1.231 1
1 1234 . 15 1 1 A 103 103 LEU N N 103 119.849 122.768 -2.919 1
1 1235 . 15 1 1 A 103 103 LEU H H 103 8.301 8.281 0.020 1
1 1236 . 15 1 1 A 103 103 LEU CA C 103 53.667 54.204 -0.537 1
1 1237 . 15 1 1 A 103 103 LEU HA H 103 4.886 4.956 -0.070 1
1 1238 . 15 1 1 A 103 103 LEU CB C 103 47.097 45.925 1.172 1
1 1250 . 15 1 1 A 103 103 LEU C C 103 173.874 173.764 0.110 1
1 1252 . 15 1 1 A 104 104 LYS N N 104 126.165 128.623 -2.458 1
1 1253 . 15 1 1 A 104 104 LYS H H 104 8.516 8.789 -0.273 1
1 1254 . 15 1 1 A 104 104 LYS CA C 104 55.117 55.427 -0.310 1
1 1255 . 15 1 1 A 104 104 LYS HA H 104 4.773 4.850 -0.077 1
1 1256 . 15 1 1 A 104 104 LYS CB C 104 34.581 33.783 0.798 1
1 1264 . 15 1 1 A 104 104 LYS C C 104 174.980 174.912 0.068 1
1 1269 . 15 1 1 A 105 105 LEU N N 105 125.172 128.206 -3.034 1
1 1270 . 15 1 1 A 105 105 LEU H H 105 8.586 9.310 -0.724 1
1 1271 . 15 1 1 A 105 105 LEU CA C 105 53.059 53.499 -0.440 1
1 1272 . 15 1 1 A 105 105 LEU HA H 105 4.923 4.820 0.103 1
1 1273 . 15 1 1 A 105 105 LEU CB C 105 44.358 43.437 0.921 1
1 1285 . 15 1 1 A 105 105 LEU C C 105 174.037 174.751 -0.714 1
1 1287 . 15 1 1 A 106 106 ARG N N 106 119.880 126.452 -6.572 1
1 1288 . 15 1 1 A 106 106 ARG H H 106 8.363 9.198 -0.835 1
1 1289 . 15 1 1 A 106 106 ARG CA C 106 54.374 54.340 0.034 1
1 1290 . 15 1 1 A 106 106 ARG HA H 106 4.926 4.930 -0.004 1
1 1291 . 15 1 1 A 106 106 ARG CB C 106 32.783 33.430 -0.647 1
1 1297 . 15 1 1 A 106 106 ARG C C 106 174.611 174.559 0.052 1
1 1301 . 15 1 1 A 107 107 LEU N N 107 128.498 126.846 1.652 1
1 1302 . 15 1 1 A 107 107 LEU H H 107 9.260 8.600 0.660 1
1 1303 . 15 1 1 A 107 107 LEU CA C 107 52.942 53.357 -0.415 1
1 1304 . 15 1 1 A 107 107 LEU HA H 107 5.110 5.198 -0.088 1
1 1305 . 15 1 1 A 107 107 LEU CB C 107 45.279 44.862 0.417 1
1 1317 . 15 1 1 A 107 107 LEU C C 107 175.494 175.944 -0.450 1
1 1319 . 15 1 1 A 108 108 THR N N 108 114.947 115.868 -0.921 1
1 1320 . 15 1 1 A 108 108 THR H H 108 8.424 8.440 -0.016 1
1 1321 . 15 1 1 A 108 108 THR CA C 108 59.201 60.528 -1.327 1
1 1322 . 15 1 1 A 108 108 THR HA H 108 5.344 5.381 -0.037 1
1 1323 . 15 1 1 A 108 108 THR CB C 108 71.413 71.210 0.203 1
1 1329 . 15 1 1 A 108 108 THR C C 108 172.424 173.094 -0.670 1
1 1330 . 15 1 1 A 109 109 TYR N N 109 114.691 119.958 -5.267 1
1 1331 . 15 1 1 A 109 109 TYR H H 109 8.056 8.614 -0.558 1
1 1332 . 15 1 1 A 109 109 TYR CA C 109 57.133 55.995 1.138 1
1 1333 . 15 1 1 A 109 109 TYR HA H 109 4.769 5.226 -0.457 1
1 1334 . 15 1 1 A 109 109 TYR CB C 109 38.008 40.353 -2.345 1
1 1344 . 15 1 1 A 109 109 TYR C C 109 171.790 171.863 -0.073 1
1 1346 . 15 1 1 A 110 110 ASP N N 110 119.179 120.011 -0.832 1
1 1347 . 15 1 1 A 110 110 ASP H H 110 9.332 8.941 0.391 1
1 1348 . 15 1 1 A 110 110 ASP CA C 110 53.147 53.349 -0.202 1
1 1349 . 15 1 1 A 110 110 ASP HA H 110 5.855 5.668 0.187 1
1 1350 . 15 1 1 A 110 110 ASP CB C 110 42.179 43.355 -1.176 1
1 1352 . 15 1 1 A 110 110 ASP C C 110 176.257 174.661 1.596 1
1 1354 . 15 1 1 A 111 111 HIS N N 111 122.092 123.712 -1.620 1
1 1355 . 15 1 1 A 111 111 HIS H H 111 8.993 8.852 0.141 1
1 1356 . 15 1 1 A 111 111 HIS CA C 111 55.365 55.583 -0.218 1
1 1357 . 15 1 1 A 111 111 HIS HA H 111 4.768 5.130 -0.362 1
1 1358 . 15 1 1 A 111 111 HIS CB C 111 36.414 33.185 3.229 1
1 1364 . 15 1 1 A 111 111 HIS C C 111 175.420 174.479 0.941 1
1 1366 . 15 1 1 A 112 112 PHE N N 112 129.361 123.593 5.768 1
1 1367 . 15 1 1 A 112 112 PHE H H 112 10.128 9.570 0.558 1
1 1368 . 15 1 1 A 112 112 PHE CA C 112 59.353 58.623 0.730 1
1 1369 . 15 1 1 A 112 112 PHE HA H 112 3.972 3.937 0.035 1
1 1370 . 15 1 1 A 112 112 PHE CB C 112 36.136 36.648 -0.512 1
1 1382 . 15 1 1 A 112 112 PHE C C 112 175.288 175.000 0.288 1
1 1384 . 15 1 1 A 113 113 HIS N N 113 109.753 108.886 0.867 1
1 1385 . 15 1 1 A 113 113 HIS H H 113 8.856 8.247 0.609 1
1 1386 . 15 1 1 A 113 113 HIS CA C 113 57.593 56.578 1.015 1
1 1387 . 15 1 1 A 113 113 HIS HA H 113 4.168 4.150 0.018 1
1 1388 . 15 1 1 A 113 113 HIS CB C 113 27.575 26.924 0.651 1
1 1394 . 15 1 1 A 113 113 HIS C C 113 174.146 173.705 0.441 1
1 1396 . 15 1 1 A 114 114 GLN N N 114 118.510 116.648 1.862 1
1 1397 . 15 1 1 A 114 114 GLN H H 114 7.930 7.392 0.538 1
1 1398 . 15 1 1 A 114 114 GLN CA C 114 54.303 54.193 0.110 1
1 1399 . 15 1 1 A 114 114 GLN HA H 114 4.674 4.879 -0.205 1
1 1400 . 15 1 1 A 114 114 GLN CB C 114 31.548 32.909 -1.361 1
1 1407 . 15 1 1 A 114 114 GLN C C 114 174.702 173.647 1.055 1
1 1410 . 15 1 1 A 115 115 SER N N 115 118.183 114.829 3.354 1
1 1411 . 15 1 1 A 115 115 SER H H 115 8.528 8.648 -0.120 1
1 1412 . 15 1 1 A 115 115 SER CA C 115 57.665 56.571 1.094 1
1 1413 . 15 1 1 A 115 115 SER HA H 115 5.112 5.189 -0.077 1
1 1414 . 15 1 1 A 115 115 SER CB C 115 63.266 64.500 -1.234 1
1 1416 . 15 1 1 A 115 115 SER C C 115 174.157 173.374 0.783 1
1 1418 . 15 1 1 A 116 116 VAL N N 116 130.788 125.789 4.999 1
1 1419 . 15 1 1 A 116 116 VAL H H 116 9.445 8.878 0.567 1
1 1420 . 15 1 1 A 116 116 VAL CA C 116 62.375 61.285 1.090 1
1 1421 . 15 1 1 A 116 116 VAL HA H 116 3.870 4.534 -0.664 1
1 1422 . 15 1 1 A 116 116 VAL CB C 116 32.564 32.733 -0.169 1
1 1432 . 15 1 1 A 116 116 VAL C C 116 175.674 174.184 1.490 1
1 1433 . 15 1 1 A 117 117 GLN N N 117 127.278 129.582 -2.304 1
1 1434 . 15 1 1 A 117 117 GLN H H 117 8.612 9.042 -0.430 1
1 1435 . 15 1 1 A 117 117 GLN CA C 117 55.004 54.235 0.769 1
1 1436 . 15 1 1 A 117 117 GLN HA H 117 5.170 5.125 0.045 1
1 1437 . 15 1 1 A 117 117 GLN CB C 117 31.166 31.158 0.008 1
1 1444 . 15 1 1 A 117 117 GLN C C 117 174.229 174.256 -0.027 1
1 1447 . 15 1 1 A 118 118 GLU N N 118 125.633 125.409 0.224 1
1 1448 . 15 1 1 A 118 118 GLU H H 118 8.960 8.652 0.308 1
1 1449 . 15 1 1 A 118 118 GLU CA C 118 54.799 54.973 -0.174 1
1 1450 . 15 1 1 A 118 118 GLU HA H 118 4.869 5.054 -0.185 1
1 1451 . 15 1 1 A 118 118 GLU CB C 118 33.675 32.180 1.495 1
1 1455 . 15 1 1 A 118 118 GLU C C 118 174.340 175.337 -0.997 1
1 1458 . 15 1 1 A 119 119 ILE N N 119 123.525 124.791 -1.266 1
1 1459 . 15 1 1 A 119 119 ILE H H 119 8.683 8.950 -0.267 1
1 1460 . 15 1 1 A 119 119 ILE CA C 119 60.005 59.888 0.117 1
1 1461 . 15 1 1 A 119 119 ILE HA H 119 5.157 4.606 0.551 1
1 1462 . 15 1 1 A 119 119 ILE CB C 119 40.761 39.525 1.236 1
1 1474 . 15 1 1 A 119 119 ILE C C 119 175.386 175.187 0.199 1
1 1476 . 15 1 1 A 120 120 PHE N N 120 122.954 123.401 -0.447 1
1 1477 . 15 1 1 A 120 120 PHE H H 120 8.647 8.529 0.118 1
1 1478 . 15 1 1 A 120 120 PHE CA C 120 55.754 54.949 0.805 1
1 1479 . 15 1 1 A 120 120 PHE HA H 120 5.064 5.580 -0.516 1
1 1480 . 15 1 1 A 120 120 PHE CB C 120 39.904 42.810 -2.906 1
1 1492 . 15 1 1 A 120 120 PHE C C 120 172.536 172.694 -0.158 1
1 1494 . 15 1 1 A 121 121 GLU N N 121 120.205 119.653 0.552 1
1 1495 . 15 1 1 A 121 121 GLU H H 121 8.807 8.829 -0.022 1
1 1496 . 15 1 1 A 121 121 GLU CA C 121 54.976 55.516 -0.540 1
1 1497 . 15 1 1 A 121 121 GLU HA H 121 4.795 5.026 -0.231 1
1 1498 . 15 1 1 A 121 121 GLU CB C 121 31.537 32.289 -0.752 1
1 1502 . 15 1 1 A 121 121 GLU C C 121 175.979 176.038 -0.059 1
1 1505 . 15 1 1 A 122 122 VAL N N 122 124.567 124.730 -0.163 1
1 1506 . 15 1 1 A 122 122 VAL H H 122 8.818 9.232 -0.414 1
1 1507 . 15 1 1 A 122 122 VAL CA C 122 62.536 63.238 -0.702 1
1 1508 . 15 1 1 A 122 122 VAL HA H 122 4.300 4.142 0.158 1
1 1509 . 15 1 1 A 122 122 VAL CB C 122 32.136 31.125 1.011 1
1 1519 . 15 1 1 A 122 122 VAL C C 122 175.324 176.897 -1.573 1
1 1520 . 15 1 1 A 123 123 ASN N N 123 125.013 121.568 3.445 1
1 1521 . 15 1 1 A 123 123 ASN H H 123 8.770 8.810 -0.040 1
1 1522 . 15 1 1 A 123 123 ASN CA C 123 52.889 52.313 0.576 1
1 1523 . 15 1 1 A 123 123 ASN HA H 123 5.072 5.040 0.032 1
1 1524 . 15 1 1 A 123 123 ASN CB C 123 40.114 38.690 1.424 1
1 1529 . 15 1 1 A 123 123 ASN C C 123 174.799 175.359 -0.560 1
1 1531 . 15 1 1 A 124 124 ASN N N 124 117.247 118.402 -1.155 1
1 1532 . 15 1 1 A 124 124 ASN H H 124 8.599 8.163 0.436 1
1 1533 . 15 1 1 A 124 124 ASN CA C 124 52.853 52.709 0.144 1
1 1534 . 15 1 1 A 124 124 ASN HA H 124 4.721 4.899 -0.178 1
1 1535 . 15 1 1 A 124 124 ASN CB C 124 36.882 38.839 -1.957 1
1 1540 . 15 1 1 A 124 124 ASN C C 124 174.437 175.358 -0.921 1
1 1542 . 15 1 1 A 125 125 LEU N N 125 119.273 122.017 -2.744 1
1 1543 . 15 1 1 A 125 125 LEU H H 125 8.105 7.342 0.763 1
1 1544 . 15 1 1 A 125 125 LEU CA C 125 53.787 53.703 0.084 1
1 1545 . 15 1 1 A 125 125 LEU HA H 125 4.187 4.439 -0.252 1
1 1546 . 15 1 1 A 125 125 LEU CB C 125 40.398 41.168 -0.770 1
1 1558 . 15 1 1 A 125 125 LEU C C 125 175.528 174.734 0.794 1
1 1560 . 15 1 1 A 126 126 PRO CA C 126 62.439 62.593 -0.154 1
1 1561 . 15 1 1 A 126 126 PRO HA H 126 4.519 4.553 -0.034 1
1 1562 . 15 1 1 A 126 126 PRO CB C 126 31.210 31.677 -0.467 1
1 1568 . 15 1 1 A 126 126 PRO C C 126 179.073 177.303 1.770 1
1 1572 . 15 1 1 A 127 127 VAL N N 127 124.759 123.712 1.047 1
1 1573 . 15 1 1 A 127 127 VAL H H 127 8.794 8.434 0.360 1
1 1574 . 15 1 1 A 127 127 VAL CA C 127 64.360 63.986 0.374 1
1 1575 . 15 1 1 A 127 127 VAL HA H 127 3.216 3.791 -0.575 1
1 1576 . 15 1 1 A 127 127 VAL CB C 127 30.825 31.447 -0.622 1
1 1586 . 15 1 1 A 127 127 VAL C C 127 176.789 176.873 -0.084 1
1 1587 . 15 1 1 A 128 128 GLU N N 128 119.892 121.949 -2.057 1
1 1588 . 15 1 1 A 128 128 GLU H H 128 9.460 8.063 1.397 1
1 1589 . 15 1 1 A 128 128 GLU CA C 128 59.216 58.489 0.727 1
1 1590 . 15 1 1 A 128 128 GLU HA H 128 3.831 3.999 -0.168 1
1 1591 . 15 1 1 A 128 128 GLU CB C 128 29.188 29.011 0.177 1
1 1595 . 15 1 1 A 128 128 GLU C C 128 177.624 178.570 -0.946 1
1 1598 . 15 1 1 A 129 129 SER N N 129 112.727 114.546 -1.819 1
1 1599 . 15 1 1 A 129 129 SER H H 129 8.057 7.452 0.605 1
1 1600 . 15 1 1 A 129 129 SER CA C 129 61.024 61.238 -0.214 1
1 1601 . 15 1 1 A 129 129 SER HA H 129 3.925 4.142 -0.217 1
1 1602 . 15 1 1 A 129 129 SER CB C 129 64.440 62.428 2.012 1
1 1604 . 15 1 1 A 129 129 SER C C 129 173.147 175.998 -2.851 1
1 1606 . 15 1 1 A 130 130 TRP N N 130 117.092 118.254 -1.162 1
1 1607 . 15 1 1 A 130 130 TRP H H 130 7.184 7.156 0.028 1
1 1608 . 15 1 1 A 130 130 TRP CA C 130 57.027 58.400 -1.373 1
1 1609 . 15 1 1 A 130 130 TRP HA H 130 4.974 4.799 0.175 1
1 1610 . 15 1 1 A 130 130 TRP CB C 130 31.384 30.609 0.775 1
1 1624 . 15 1 1 A 130 130 TRP C C 130 174.759 177.422 -2.663 1
1 1 . 16 1 1 A 6 6 SER CA C 6 58.371 58.965 -0.594 1
1 2 . 16 1 1 A 6 6 SER HA H 6 4.533 4.107 0.426 1
1 3 . 16 1 1 A 6 6 SER CB C 6 63.994 61.754 2.240 1
1 5 . 16 1 1 A 6 6 SER C C 6 174.472 173.589 0.883 1
1 7 . 16 1 1 A 7 7 GLY N N 7 110.741 108.217 2.524 1
1 8 . 16 1 1 A 7 7 GLY H H 7 8.209 8.144 0.065 1
1 9 . 16 1 1 A 7 7 GLY CA C 7 44.501 44.185 0.316 1
1 10 . 16 1 1 A 7 7 GLY HA3 H 7 4.059 4.093 -0.034 1
1 11 . 16 1 1 A 7 7 GLY C C 7 171.084 173.067 -1.983 1
1 12 . 16 1 1 A 7 7 GLY HA2 H 7 4.155 4.093 0.062 1
1 13 . 16 1 1 A 8 8 PRO CA C 8 61.515 62.146 -0.631 1
1 14 . 16 1 1 A 8 8 PRO HA H 8 4.713 4.627 0.086 1
1 15 . 16 1 1 A 8 8 PRO CB C 8 30.760 31.629 -0.869 1
1 24 . 16 1 1 A 9 9 PRO HA H 9 4.724 4.588 0.136 1
1 30 . 16 1 1 A 10 10 PRO CA C 10 62.761 62.490 0.271 1
1 31 . 16 1 1 A 10 10 PRO HA H 10 4.389 4.644 -0.255 1
1 32 . 16 1 1 A 10 10 PRO CB C 10 32.082 33.173 -1.091 1
1 37 . 16 1 1 A 10 10 PRO C C 10 176.236 175.337 0.899 1
1 41 . 16 1 1 A 11 11 ALA N N 11 125.926 121.399 4.527 1
1 42 . 16 1 1 A 11 11 ALA H H 11 8.352 8.224 0.128 1
1 43 . 16 1 1 A 11 11 ALA CA C 11 50.343 49.287 1.056 1
1 44 . 16 1 1 A 11 11 ALA HA H 11 4.583 4.812 -0.229 1
1 45 . 16 1 1 A 11 11 ALA CB C 11 18.255 20.261 -2.006 1
1 49 . 16 1 1 A 11 11 ALA C C 11 175.479 175.168 0.311 1
1 50 . 16 1 1 A 12 12 PRO CA C 12 62.757 62.213 0.544 1
1 51 . 16 1 1 A 12 12 PRO HA H 12 4.386 4.613 -0.227 1
1 52 . 16 1 1 A 12 12 PRO CB C 12 32.104 33.104 -1.000 1
1 57 . 16 1 1 A 12 12 PRO C C 12 176.478 175.476 1.002 1
1 61 . 16 1 1 A 13 13 ILE N N 13 124.607 121.357 3.250 1
1 62 . 16 1 1 A 13 13 ILE H H 13 8.661 8.445 0.216 1
1 63 . 16 1 1 A 13 13 ILE CA C 13 59.081 58.348 0.733 1
1 64 . 16 1 1 A 13 13 ILE HA H 13 4.288 4.481 -0.193 1
1 65 . 16 1 1 A 13 13 ILE CB C 13 39.710 38.412 1.298 1
1 77 . 16 1 1 A 13 13 ILE C C 13 174.727 174.705 0.022 1
1 79 . 16 1 1 A 14 14 PRO CA C 14 63.433 62.226 1.207 1
1 80 . 16 1 1 A 14 14 PRO HA H 14 4.457 4.634 -0.177 1
1 81 . 16 1 1 A 14 14 PRO CB C 14 32.428 32.622 -0.194 1
1 86 . 16 1 1 A 14 14 PRO C C 14 175.380 175.945 -0.565 1
1 90 . 16 1 1 A 15 15 ASP N N 15 118.741 121.438 -2.697 1
1 91 . 16 1 1 A 15 15 ASP H H 15 8.042 8.612 -0.570 1
1 92 . 16 1 1 A 15 15 ASP CA C 15 54.213 53.901 0.312 1
1 93 . 16 1 1 A 15 15 ASP HA H 15 5.064 5.011 0.053 1
1 94 . 16 1 1 A 15 15 ASP CB C 15 41.793 41.981 -0.188 1
1 96 . 16 1 1 A 15 15 ASP C C 15 176.413 175.217 1.196 1
1 98 . 16 1 1 A 16 16 LEU N N 16 121.451 123.135 -1.684 1
1 99 . 16 1 1 A 16 16 LEU H H 16 9.016 8.576 0.440 1
1 100 . 16 1 1 A 16 16 LEU CA C 16 53.914 54.426 -0.512 1
1 101 . 16 1 1 A 16 16 LEU HA H 16 4.847 4.869 -0.022 1
1 102 . 16 1 1 A 16 16 LEU CB C 16 48.283 45.894 2.389 1
1 114 . 16 1 1 A 16 16 LEU C C 16 174.915 174.389 0.526 1
1 116 . 16 1 1 A 17 17 LYS N N 17 130.346 127.589 2.757 1
1 117 . 16 1 1 A 17 17 LYS H H 17 8.937 8.909 0.028 1
1 118 . 16 1 1 A 17 17 LYS CA C 17 57.027 57.098 -0.071 1
1 119 . 16 1 1 A 17 17 LYS HA H 17 4.821 4.433 0.388 1
1 120 . 16 1 1 A 17 17 LYS CB C 17 31.991 32.956 -0.965 1
1 128 . 16 1 1 A 17 17 LYS C C 17 177.744 176.523 1.221 1
1 133 . 16 1 1 A 18 18 VAL N N 18 116.605 121.728 -5.123 1
1 134 . 16 1 1 A 18 18 VAL H H 18 8.228 8.488 -0.260 1
1 135 . 16 1 1 A 18 18 VAL CA C 18 60.586 61.986 -1.400 1
1 136 . 16 1 1 A 18 18 VAL HA H 18 4.807 4.435 0.372 1
1 137 . 16 1 1 A 18 18 VAL CB C 18 33.601 33.611 -0.010 1
1 147 . 16 1 1 A 18 18 VAL C C 18 174.118 175.780 -1.662 1
1 148 . 16 1 1 A 19 19 PHE N N 19 120.586 122.115 -1.529 1
1 149 . 16 1 1 A 19 19 PHE H H 19 7.429 7.190 0.239 1
1 150 . 16 1 1 A 19 19 PHE CA C 19 57.947 57.399 0.548 1
1 151 . 16 1 1 A 19 19 PHE HA H 19 4.544 4.634 -0.090 1
1 152 . 16 1 1 A 19 19 PHE CB C 19 43.455 42.500 0.955 1
1 162 . 16 1 1 A 19 19 PHE C C 19 172.947 172.981 -0.034 1
1 164 . 16 1 1 A 20 20 GLU N N 20 126.790 126.604 0.186 1
1 165 . 16 1 1 A 20 20 GLU H H 20 7.620 8.363 -0.743 1
1 166 . 16 1 1 A 20 20 GLU CA C 20 55.117 55.135 -0.018 1
1 167 . 16 1 1 A 20 20 GLU HA H 20 5.059 5.080 -0.021 1
1 168 . 16 1 1 A 20 20 GLU CB C 20 32.091 32.321 -0.230 1
1 172 . 16 1 1 A 20 20 GLU C C 20 174.073 174.376 -0.303 1
1 175 . 16 1 1 A 21 21 ARG N N 21 125.153 127.591 -2.438 1
1 176 . 16 1 1 A 21 21 ARG H H 21 8.806 9.033 -0.227 1
1 177 . 16 1 1 A 21 21 ARG CA C 21 56.532 54.446 2.086 1
1 178 . 16 1 1 A 21 21 ARG HA H 21 4.234 4.906 -0.672 1
1 179 . 16 1 1 A 21 21 ARG CB C 21 33.707 34.186 -0.479 1
1 185 . 16 1 1 A 21 21 ARG C C 21 176.293 174.901 1.392 1
1 189 . 16 1 1 A 22 22 GLU N N 22 132.286 125.070 7.216 1
1 190 . 16 1 1 A 22 22 GLU H H 22 9.887 8.766 1.121 1
1 191 . 16 1 1 A 22 22 GLU CA C 22 57.271 57.793 -0.522 1
1 192 . 16 1 1 A 22 22 GLU HA H 22 3.968 4.198 -0.230 1
1 193 . 16 1 1 A 22 22 GLU CB C 22 28.595 29.156 -0.561 1
1 197 . 16 1 1 A 22 22 GLU C C 22 175.219 177.178 -1.959 1
1 200 . 16 1 1 A 23 23 GLY N N 23 103.445 113.674 -10.229 1
1 201 . 16 1 1 A 23 23 GLY H H 23 8.570 9.000 -0.430 1
1 202 . 16 1 1 A 23 23 GLY CA C 23 45.698 45.360 0.338 1
1 203 . 16 1 1 A 23 23 GLY HA3 H 23 4.242 4.215 0.027 1
1 204 . 16 1 1 A 23 23 GLY C C 23 173.517 174.174 -0.657 1
1 205 . 16 1 1 A 23 23 GLY HA2 H 23 3.658 4.186 -0.528 1
1 206 . 16 1 1 A 24 24 VAL N N 24 124.489 120.648 3.841 1
1 207 . 16 1 1 A 24 24 VAL H H 24 8.016 8.225 -0.209 1
1 208 . 16 1 1 A 24 24 VAL CA C 24 61.341 61.221 0.120 1
1 209 . 16 1 1 A 24 24 VAL HA H 24 4.780 4.525 0.255 1
1 210 . 16 1 1 A 24 24 VAL CB C 24 32.051 34.193 -2.142 1
1 220 . 16 1 1 A 24 24 VAL C C 24 175.459 174.829 0.630 1
1 221 . 16 1 1 A 25 25 GLN N N 25 123.296 125.260 -1.964 1
1 222 . 16 1 1 A 25 25 GLN H H 25 8.446 8.543 -0.097 1
1 223 . 16 1 1 A 25 25 GLN CA C 25 53.879 54.315 -0.436 1
1 224 . 16 1 1 A 25 25 GLN HA H 25 5.378 5.258 0.120 1
1 225 . 16 1 1 A 25 25 GLN CB C 25 33.065 33.388 -0.323 1
1 232 . 16 1 1 A 25 25 GLN C C 25 174.348 174.327 0.021 1
1 235 . 16 1 1 A 26 26 LEU N N 26 120.847 123.893 -3.046 1
1 236 . 16 1 1 A 26 26 LEU H H 26 8.579 9.227 -0.648 1
1 237 . 16 1 1 A 26 26 LEU CA C 26 53.914 54.110 -0.196 1
1 238 . 16 1 1 A 26 26 LEU HA H 26 5.400 5.029 0.371 1
1 239 . 16 1 1 A 26 26 LEU CB C 26 47.336 46.215 1.121 1
1 251 . 16 1 1 A 26 26 LEU C C 26 174.842 174.016 0.826 1
1 253 . 16 1 1 A 27 27 ASN N N 27 124.346 124.040 0.306 1
1 254 . 16 1 1 A 27 27 ASN H H 27 8.738 9.041 -0.303 1
1 255 . 16 1 1 A 27 27 ASN CA C 27 52.063 51.822 0.241 1
1 256 . 16 1 1 A 27 27 ASN HA H 27 5.542 5.364 0.178 1
1 257 . 16 1 1 A 27 27 ASN CB C 27 43.866 41.989 1.877 1
1 262 . 16 1 1 A 27 27 ASN C C 27 173.520 173.910 -0.390 1
1 264 . 16 1 1 A 28 28 LEU N N 28 124.198 124.059 0.139 1
1 265 . 16 1 1 A 28 28 LEU H H 28 9.406 8.567 0.839 1
1 266 . 16 1 1 A 28 28 LEU CA C 28 53.773 53.780 -0.007 1
1 267 . 16 1 1 A 28 28 LEU HA H 28 4.995 5.021 -0.026 1
1 268 . 16 1 1 A 28 28 LEU CB C 28 44.307 45.909 -1.602 1
1 280 . 16 1 1 A 28 28 LEU C C 28 174.670 174.078 0.592 1
1 282 . 16 1 1 A 29 29 SER N N 29 115.017 121.038 -6.021 1
1 283 . 16 1 1 A 29 29 SER H H 29 8.314 8.655 -0.341 1
1 284 . 16 1 1 A 29 29 SER CA C 29 56.340 56.307 0.033 1
1 285 . 16 1 1 A 29 29 SER HA H 29 4.807 5.191 -0.384 1
1 286 . 16 1 1 A 29 29 SER CB C 29 65.926 65.029 0.897 1
1 288 . 16 1 1 A 29 29 SER C C 29 172.842 172.265 0.577 1
1 290 . 16 1 1 A 30 30 PHE N N 30 119.941 125.540 -5.599 1
1 291 . 16 1 1 A 30 30 PHE H H 30 9.366 9.138 0.228 1
1 292 . 16 1 1 A 30 30 PHE CA C 30 57.047 56.495 0.552 1
1 293 . 16 1 1 A 30 30 PHE HA H 30 5.374 5.185 0.189 1
1 294 . 16 1 1 A 30 30 PHE CB C 30 44.307 42.174 2.133 1
1 306 . 16 1 1 A 30 30 PHE C C 30 175.242 175.104 0.138 1
1 308 . 16 1 1 A 31 31 ILE N N 31 122.161 120.808 1.353 1
1 309 . 16 1 1 A 31 31 ILE H H 31 8.950 8.565 0.385 1
1 310 . 16 1 1 A 31 31 ILE CA C 31 60.680 60.053 0.627 1
1 311 . 16 1 1 A 31 31 ILE HA H 31 4.338 4.862 -0.524 1
1 312 . 16 1 1 A 31 31 ILE CB C 31 42.354 42.451 -0.097 1
1 324 . 16 1 1 A 31 31 ILE C C 31 174.368 175.284 -0.916 1
1 326 . 16 1 1 A 32 32 ARG N N 32 128.976 126.908 2.068 1
1 327 . 16 1 1 A 32 32 ARG H H 32 8.773 8.846 -0.073 1
1 328 . 16 1 1 A 32 32 ARG CA C 32 51.444 53.051 -1.607 1
1 329 . 16 1 1 A 32 32 ARG HA H 32 5.263 4.913 0.350 1
1 330 . 16 1 1 A 32 32 ARG CB C 32 29.600 31.357 -1.757 1
1 338 . 16 1 1 A 32 32 ARG C C 32 173.585 173.633 -0.048 1
1 342 . 16 1 1 A 33 33 PRO CA C 33 60.759 61.856 -1.097 1
1 343 . 16 1 1 A 33 33 PRO HA H 33 4.581 4.694 -0.113 1
1 344 . 16 1 1 A 33 33 PRO CB C 33 32.219 32.489 -0.270 1
1 353 . 16 1 1 A 34 34 PRO CA C 34 64.464 65.269 -0.805 1
1 354 . 16 1 1 A 34 34 PRO HA H 34 4.236 4.223 0.013 1
1 355 . 16 1 1 A 34 34 PRO CB C 34 31.997 32.079 -0.082 1
1 361 . 16 1 1 A 34 34 PRO C C 34 178.240 178.547 -0.307 1
1 365 . 16 1 1 A 35 35 GLU N N 35 115.025 115.951 -0.926 1
1 366 . 16 1 1 A 35 35 GLU H H 35 9.287 8.860 0.427 1
1 367 . 16 1 1 A 35 35 GLU CA C 35 57.753 58.792 -1.039 1
1 368 . 16 1 1 A 35 35 GLU HA H 35 4.205 4.124 0.081 1
1 369 . 16 1 1 A 35 35 GLU CB C 35 28.595 28.848 -0.253 1
1 373 . 16 1 1 A 35 35 GLU C C 35 176.471 176.496 -0.025 1
1 376 . 16 1 1 A 36 36 ASN N N 36 114.302 118.733 -4.431 1
1 377 . 16 1 1 A 36 36 ASN H H 36 7.257 7.871 -0.614 1
1 378 . 16 1 1 A 36 36 ASN CA C 36 50.593 49.947 0.646 1
1 379 . 16 1 1 A 36 36 ASN HA H 36 5.024 5.084 -0.060 1
1 380 . 16 1 1 A 36 36 ASN CB C 36 39.094 39.423 -0.329 1
1 385 . 16 1 1 A 36 36 ASN C C 36 172.128 173.591 -1.463 1
1 387 . 16 1 1 A 37 37 PRO CA C 37 64.287 64.641 -0.354 1
1 388 . 16 1 1 A 37 37 PRO HA H 37 4.600 4.401 0.199 1
1 389 . 16 1 1 A 37 37 PRO CB C 37 32.235 31.982 0.253 1
1 394 . 16 1 1 A 37 37 PRO C C 37 176.707 177.778 -1.071 1
1 398 . 16 1 1 A 38 38 ALA N N 38 117.780 117.999 -0.219 1
1 399 . 16 1 1 A 38 38 ALA H H 38 7.596 7.480 0.116 1
1 400 . 16 1 1 A 38 38 ALA CA C 38 52.674 52.867 -0.193 1
1 401 . 16 1 1 A 38 38 ALA HA H 38 4.262 4.381 -0.119 1
1 402 . 16 1 1 A 38 38 ALA CB C 38 19.201 19.405 -0.204 1
1 406 . 16 1 1 A 38 38 ALA C C 38 176.546 176.984 -0.438 1
1 407 . 16 1 1 A 39 39 LEU N N 39 122.870 121.215 1.655 1
1 408 . 16 1 1 A 39 39 LEU H H 39 7.963 7.192 0.771 1
1 409 . 16 1 1 A 39 39 LEU CA C 39 54.548 54.034 0.514 1
1 410 . 16 1 1 A 39 39 LEU HA H 39 4.953 4.905 0.048 1
1 411 . 16 1 1 A 39 39 LEU CB C 39 44.768 44.583 0.185 1
1 423 . 16 1 1 A 39 39 LEU C C 39 173.627 175.520 -1.893 1
1 425 . 16 1 1 A 40 40 LEU N N 40 125.985 128.404 -2.419 1
1 426 . 16 1 1 A 40 40 LEU H H 40 9.247 9.156 0.091 1
1 427 . 16 1 1 A 40 40 LEU CA C 40 53.914 53.676 0.238 1
1 428 . 16 1 1 A 40 40 LEU HA H 40 5.018 5.113 -0.095 1
1 429 . 16 1 1 A 40 40 LEU CB C 40 45.014 44.431 0.583 1
1 441 . 16 1 1 A 40 40 LEU C C 40 174.170 174.778 -0.608 1
1 443 . 16 1 1 A 41 41 LEU N N 41 125.906 128.844 -2.938 1
1 444 . 16 1 1 A 41 41 LEU H H 41 9.224 8.925 0.299 1
1 445 . 16 1 1 A 41 41 LEU CA C 41 53.190 53.890 -0.700 1
1 446 . 16 1 1 A 41 41 LEU HA H 41 5.222 5.214 0.008 1
1 447 . 16 1 1 A 41 41 LEU CB C 41 42.034 41.660 0.374 1
1 459 . 16 1 1 A 41 41 LEU C C 41 177.109 176.021 1.088 1
1 461 . 16 1 1 A 42 42 ILE N N 42 124.731 126.052 -1.321 1
1 462 . 16 1 1 A 42 42 ILE H H 42 9.087 8.933 0.154 1
1 463 . 16 1 1 A 42 42 ILE CA C 42 59.794 60.124 -0.330 1
1 464 . 16 1 1 A 42 42 ILE HA H 42 5.055 4.994 0.061 1
1 465 . 16 1 1 A 42 42 ILE CB C 42 41.019 40.073 0.946 1
1 477 . 16 1 1 A 42 42 ILE C C 42 175.074 174.991 0.083 1
1 479 . 16 1 1 A 43 43 THR N N 43 123.315 121.958 1.357 1
1 480 . 16 1 1 A 43 43 THR H H 43 8.589 8.766 -0.177 1
1 481 . 16 1 1 A 43 43 THR CA C 43 61.677 61.697 -0.020 1
1 482 . 16 1 1 A 43 43 THR HA H 43 5.023 5.423 -0.400 1
1 483 . 16 1 1 A 43 43 THR CB C 43 69.838 72.175 -2.337 1
1 489 . 16 1 1 A 43 43 THR C C 43 174.993 173.316 1.677 1
1 490 . 16 1 1 A 44 44 ILE N N 44 126.677 126.566 0.111 1
1 491 . 16 1 1 A 44 44 ILE H H 44 9.329 9.132 0.197 1
1 492 . 16 1 1 A 44 44 ILE CA C 44 59.794 59.873 -0.079 1
1 493 . 16 1 1 A 44 44 ILE HA H 44 4.953 5.105 -0.152 1
1 494 . 16 1 1 A 44 44 ILE CB C 44 38.754 40.967 -2.213 1
1 506 . 16 1 1 A 44 44 ILE C C 44 174.670 175.290 -0.620 1
1 508 . 16 1 1 A 45 45 THR N N 45 120.442 121.824 -1.382 1
1 509 . 16 1 1 A 45 45 THR H H 45 8.740 8.474 0.266 1
1 510 . 16 1 1 A 45 45 THR CA C 45 61.579 61.299 0.280 1
1 511 . 16 1 1 A 45 45 THR HA H 45 5.266 4.803 0.463 1
1 512 . 16 1 1 A 45 45 THR CB C 45 70.338 70.132 0.206 1
1 518 . 16 1 1 A 45 45 THR C C 45 174.494 173.348 1.146 1
1 519 . 16 1 1 A 46 46 ALA N N 46 134.267 129.612 4.655 1
1 520 . 16 1 1 A 46 46 ALA H H 46 9.489 8.326 1.163 1
1 521 . 16 1 1 A 46 46 ALA CA C 46 49.846 50.966 -1.120 1
1 522 . 16 1 1 A 46 46 ALA HA H 46 5.554 4.657 0.897 1
1 523 . 16 1 1 A 46 46 ALA CB C 46 20.414 19.716 0.698 1
1 527 . 16 1 1 A 46 46 ALA C C 46 174.819 177.040 -2.221 1
1 528 . 16 1 1 A 47 47 THR N N 47 111.611 114.980 -3.369 1
1 529 . 16 1 1 A 47 47 THR H H 47 8.431 8.126 0.305 1
1 530 . 16 1 1 A 47 47 THR CA C 47 59.331 59.611 -0.280 1
1 531 . 16 1 1 A 47 47 THR HA H 47 4.409 5.032 -0.623 1
1 532 . 16 1 1 A 47 47 THR CB C 47 71.655 70.863 0.792 1
1 538 . 16 1 1 A 47 47 THR C C 47 173.104 172.717 0.387 1
1 539 . 16 1 1 A 48 48 ASN N N 48 117.087 121.507 -4.420 1
1 540 . 16 1 1 A 48 48 ASN H H 48 8.647 8.268 0.379 1
1 541 . 16 1 1 A 48 48 ASN CA C 48 51.019 51.567 -0.548 1
1 542 . 16 1 1 A 48 48 ASN HA H 48 5.096 5.036 0.060 1
1 543 . 16 1 1 A 48 48 ASN CB C 48 39.880 41.690 -1.810 1
1 548 . 16 1 1 A 48 48 ASN C C 48 173.769 174.512 -0.743 1
1 550 . 16 1 1 A 49 49 PHE N N 49 123.238 123.628 -0.390 1
1 551 . 16 1 1 A 49 49 PHE H H 49 9.105 8.406 0.699 1
1 552 . 16 1 1 A 49 49 PHE CA C 49 57.422 57.450 -0.028 1
1 553 . 16 1 1 A 49 49 PHE HA H 49 4.601 4.794 -0.193 1
1 554 . 16 1 1 A 49 49 PHE CB C 49 38.770 40.116 -1.346 1
1 566 . 16 1 1 A 49 49 PHE C C 49 176.238 175.471 0.767 1
1 568 . 16 1 1 A 50 50 SER N N 50 118.477 114.519 3.958 1
1 569 . 16 1 1 A 50 50 SER H H 50 8.344 7.828 0.516 1
1 570 . 16 1 1 A 50 50 SER CA C 50 58.654 57.881 0.773 1
1 571 . 16 1 1 A 50 50 SER HA H 50 4.933 4.596 0.337 1
1 572 . 16 1 1 A 50 50 SER CB C 50 66.611 65.562 1.049 1
1 573 . 16 1 1 A 50 50 SER C C 50 173.089 174.849 -1.760 1
1 574 . 16 1 1 A 51 51 GLU N N 51 114.036 119.844 -5.808 1
1 575 . 16 1 1 A 51 51 GLU H H 51 9.051 8.901 0.150 1
1 576 . 16 1 1 A 51 51 GLU CA C 51 56.701 58.636 -1.935 1
1 577 . 16 1 1 A 51 51 GLU HA H 51 4.358 4.360 -0.002 1
1 578 . 16 1 1 A 51 51 GLU CB C 51 30.323 30.386 -0.063 1
1 582 . 16 1 1 A 51 51 GLU C C 51 175.603 177.290 -1.687 1
1 585 . 16 1 1 A 52 52 GLY N N 52 109.625 107.763 1.862 1
1 586 . 16 1 1 A 52 52 GLY H H 52 8.525 7.491 1.034 1
1 587 . 16 1 1 A 52 52 GLY CA C 52 44.267 44.531 -0.264 1
1 588 . 16 1 1 A 52 52 GLY HA3 H 52 4.505 3.708 0.797 1
1 589 . 16 1 1 A 52 52 GLY C C 52 173.168 172.998 0.170 1
1 590 . 16 1 1 A 52 52 GLY HA2 H 52 2.842 2.803 0.039 1
1 591 . 16 1 1 A 53 53 ASP N N 53 125.175 121.098 4.077 1
1 592 . 16 1 1 A 53 53 ASP H H 53 9.001 8.309 0.692 1
1 593 . 16 1 1 A 53 53 ASP CA C 53 55.793 53.876 1.917 1
1 594 . 16 1 1 A 53 53 ASP HA H 53 4.082 4.699 -0.617 1
1 595 . 16 1 1 A 53 53 ASP CB C 53 40.522 41.031 -0.509 1
1 597 . 16 1 1 A 53 53 ASP C C 53 176.506 176.166 0.340 1
1 599 . 16 1 1 A 54 54 VAL N N 54 125.250 124.065 1.185 1
1 600 . 16 1 1 A 54 54 VAL H H 54 7.873 8.215 -0.342 1
1 601 . 16 1 1 A 54 54 VAL CA C 54 61.350 61.436 -0.086 1
1 602 . 16 1 1 A 54 54 VAL HA H 54 4.759 4.665 0.094 1
1 603 . 16 1 1 A 54 54 VAL CB C 54 32.808 32.200 0.608 1
1 613 . 16 1 1 A 54 54 VAL C C 54 176.126 175.214 0.912 1
1 614 . 16 1 1 A 55 55 THR N N 55 116.888 117.468 -0.580 1
1 615 . 16 1 1 A 55 55 THR H H 55 9.004 8.482 0.522 1
1 616 . 16 1 1 A 55 55 THR CA C 55 59.194 59.931 -0.737 1
1 617 . 16 1 1 A 55 55 THR HA H 55 4.920 4.917 0.003 1
1 618 . 16 1 1 A 55 55 THR CB C 55 72.508 71.811 0.697 1
1 624 . 16 1 1 A 55 55 THR C C 55 173.166 174.080 -0.914 1
1 625 . 16 1 1 A 56 56 HIS N N 56 115.667 119.899 -4.232 1
1 626 . 16 1 1 A 56 56 HIS H H 56 9.193 9.024 0.169 1
1 627 . 16 1 1 A 56 56 HIS CA C 56 56.363 56.635 -0.272 1
1 628 . 16 1 1 A 56 56 HIS HA H 56 4.153 4.230 -0.077 1
1 629 . 16 1 1 A 56 56 HIS CB C 56 26.923 28.046 -1.123 1
1 635 . 16 1 1 A 56 56 HIS C C 56 173.611 174.884 -1.273 1
1 637 . 16 1 1 A 57 57 PHE N N 57 118.625 118.800 -0.175 1
1 638 . 16 1 1 A 57 57 PHE H H 57 8.932 8.114 0.818 1
1 639 . 16 1 1 A 57 57 PHE CA C 57 59.503 57.182 2.321 1
1 640 . 16 1 1 A 57 57 PHE HA H 57 4.819 4.693 0.126 1
1 641 . 16 1 1 A 57 57 PHE CB C 57 39.871 39.677 0.194 1
1 653 . 16 1 1 A 57 57 PHE C C 57 176.025 174.199 1.826 1
1 655 . 16 1 1 A 58 58 ILE N N 58 131.418 127.368 4.050 1
1 656 . 16 1 1 A 58 58 ILE H H 58 8.989 8.760 0.229 1
1 657 . 16 1 1 A 58 58 ILE CA C 58 61.138 59.731 1.407 1
1 658 . 16 1 1 A 58 58 ILE HA H 58 4.001 4.433 -0.432 1
1 659 . 16 1 1 A 58 58 ILE CB C 58 41.349 39.763 1.586 1
1 671 . 16 1 1 A 58 58 ILE C C 58 173.046 173.703 -0.657 1
1 673 . 16 1 1 A 59 59 CYS N N 59 126.838 127.871 -1.033 1
1 674 . 16 1 1 A 59 59 CYS H H 59 8.844 8.675 0.169 1
1 675 . 16 1 1 A 59 59 CYS CA C 59 56.902 56.606 0.296 1
1 676 . 16 1 1 A 59 59 CYS HA H 59 5.044 5.061 -0.017 1
1 677 . 16 1 1 A 59 59 CYS CB C 59 28.363 29.803 -1.440 1
1 679 . 16 1 1 A 59 59 CYS C C 59 173.375 173.458 -0.083 1
1 681 . 16 1 1 A 60 60 GLN N N 60 126.903 126.372 0.531 1
1 682 . 16 1 1 A 60 60 GLN H H 60 8.929 8.589 0.340 1
1 683 . 16 1 1 A 60 60 GLN CA C 60 54.162 54.271 -0.109 1
1 684 . 16 1 1 A 60 60 GLN HA H 60 4.656 4.950 -0.294 1
1 685 . 16 1 1 A 60 60 GLN CB C 60 31.991 31.991 0.000 1
1 691 . 16 1 1 A 60 60 GLN C C 60 174.000 174.546 -0.546 1
1 694 . 16 1 1 A 61 61 ALA N N 61 124.049 120.949 3.100 1
1 695 . 16 1 1 A 61 61 ALA H H 61 8.178 8.579 -0.401 1
1 696 . 16 1 1 A 61 61 ALA CA C 61 50.160 51.213 -1.053 1
1 697 . 16 1 1 A 61 61 ALA HA H 61 5.192 5.175 0.017 1
1 698 . 16 1 1 A 61 61 ALA CB C 61 23.419 23.933 -0.514 1
1 702 . 16 1 1 A 61 61 ALA C C 61 175.076 175.120 -0.044 1
1 703 . 16 1 1 A 62 62 ALA N N 62 121.362 120.967 0.395 1
1 704 . 16 1 1 A 62 62 ALA H H 62 8.488 8.350 0.138 1
1 705 . 16 1 1 A 62 62 ALA CA C 62 51.309 51.203 0.106 1
1 706 . 16 1 1 A 62 62 ALA HA H 62 4.667 5.135 -0.468 1
1 707 . 16 1 1 A 62 62 ALA CB C 62 22.617 23.537 -0.920 1
1 711 . 16 1 1 A 62 62 ALA C C 62 176.013 175.961 0.052 1
1 712 . 16 1 1 A 63 63 VAL N N 63 113.572 114.348 -0.776 1
1 713 . 16 1 1 A 63 63 VAL H H 63 8.271 8.663 -0.392 1
1 714 . 16 1 1 A 63 63 VAL CA C 63 57.691 57.783 -0.092 1
1 715 . 16 1 1 A 63 63 VAL HA H 63 5.045 4.926 0.119 1
1 716 . 16 1 1 A 63 63 VAL CB C 63 32.968 34.451 -1.483 1
1 726 . 16 1 1 A 63 63 VAL C C 63 173.707 173.235 0.472 1
1 727 . 16 1 1 A 64 64 PRO CA C 64 62.757 62.597 0.160 1
1 728 . 16 1 1 A 64 64 PRO HA H 64 4.459 4.639 -0.180 1
1 729 . 16 1 1 A 64 64 PRO CB C 64 32.728 32.548 0.180 1
1 735 . 16 1 1 A 64 64 PRO C C 64 176.348 177.811 -1.463 1
1 739 . 16 1 1 A 65 65 LYS N N 65 118.624 124.006 -5.382 1
1 740 . 16 1 1 A 65 65 LYS H H 65 8.323 8.541 -0.218 1
1 741 . 16 1 1 A 65 65 LYS CA C 65 58.516 59.838 -1.322 1
1 742 . 16 1 1 A 65 65 LYS HA H 65 4.183 3.862 0.321 1
1 743 . 16 1 1 A 65 65 LYS CB C 65 32.320 32.147 0.173 1
1 751 . 16 1 1 A 65 65 LYS C C 65 176.595 178.878 -2.283 1
1 756 . 16 1 1 A 66 66 SER N N 66 111.762 114.136 -2.374 1
1 757 . 16 1 1 A 66 66 SER H H 66 7.779 7.972 -0.193 1
1 758 . 16 1 1 A 66 66 SER CA C 66 59.298 61.449 -2.151 1
1 759 . 16 1 1 A 66 66 SER HA H 66 4.234 4.121 0.113 1
1 760 . 16 1 1 A 66 66 SER CB C 66 62.984 63.132 -0.148 1
1 762 . 16 1 1 A 66 66 SER C C 66 174.137 174.077 0.060 1
1 764 . 16 1 1 A 67 67 LEU N N 67 124.569 120.570 3.999 1
1 765 . 16 1 1 A 67 67 LEU H H 67 8.109 8.275 -0.166 1
1 766 . 16 1 1 A 67 67 LEU CA C 67 54.940 53.068 1.872 1
1 767 . 16 1 1 A 67 67 LEU HA H 67 4.836 4.856 -0.020 1
1 768 . 16 1 1 A 67 67 LEU CB C 67 43.882 44.672 -0.790 1
1 780 . 16 1 1 A 67 67 LEU C C 67 174.925 175.552 -0.627 1
1 782 . 16 1 1 A 68 68 GLN N N 68 117.163 121.343 -4.180 1
1 783 . 16 1 1 A 68 68 GLN H H 68 8.063 8.913 -0.850 1
1 784 . 16 1 1 A 68 68 GLN CA C 68 54.829 54.346 0.483 1
1 785 . 16 1 1 A 68 68 GLN HA H 68 4.674 5.205 -0.531 1
1 786 . 16 1 1 A 68 68 GLN CB C 68 31.579 31.800 -0.221 1
1 793 . 16 1 1 A 68 68 GLN C C 68 174.077 174.248 -0.171 1
1 796 . 16 1 1 A 69 69 LEU N N 69 126.046 124.232 1.814 1
1 797 . 16 1 1 A 69 69 LEU H H 69 8.676 8.770 -0.094 1
1 798 . 16 1 1 A 69 69 LEU CA C 69 54.073 53.851 0.222 1
1 799 . 16 1 1 A 69 69 LEU HA H 69 5.231 5.126 0.105 1
1 800 . 16 1 1 A 69 69 LEU CB C 69 45.602 46.496 -0.894 1
1 811 . 16 1 1 A 69 69 LEU C C 69 175.497 174.474 1.023 1
1 813 . 16 1 1 A 70 70 GLN N N 70 126.758 124.363 2.395 1
1 814 . 16 1 1 A 70 70 GLN H H 70 9.410 8.844 0.566 1
1 815 . 16 1 1 A 70 70 GLN CA C 70 54.657 54.932 -0.275 1
1 816 . 16 1 1 A 70 70 GLN HA H 70 4.746 4.821 -0.075 1
1 817 . 16 1 1 A 70 70 GLN CB C 70 31.537 32.576 -1.039 1
1 824 . 16 1 1 A 70 70 GLN C C 70 174.686 174.181 0.505 1
1 827 . 16 1 1 A 71 71 LEU N N 71 126.413 128.371 -1.958 1
1 828 . 16 1 1 A 71 71 LEU H H 71 8.936 8.713 0.223 1
1 829 . 16 1 1 A 71 71 LEU CA C 71 55.294 54.505 0.789 1
1 830 . 16 1 1 A 71 71 LEU HA H 71 4.752 4.675 0.077 1
1 831 . 16 1 1 A 71 71 LEU CB C 71 43.898 42.897 1.001 1
1 843 . 16 1 1 A 71 71 LEU C C 71 176.498 175.668 0.830 1
1 845 . 16 1 1 A 72 72 GLN N N 72 121.553 127.617 -6.064 1
1 846 . 16 1 1 A 72 72 GLN H H 72 8.100 7.954 0.146 1
1 847 . 16 1 1 A 72 72 GLN CA C 72 54.209 54.788 -0.579 1
1 848 . 16 1 1 A 72 72 GLN HA H 72 4.589 4.298 0.291 1
1 849 . 16 1 1 A 72 72 GLN CB C 72 31.142 29.777 1.365 1
1 856 . 16 1 1 A 72 72 GLN C C 72 174.254 175.594 -1.340 1
1 859 . 16 1 1 A 73 73 ALA N N 73 124.262 126.339 -2.077 1
1 860 . 16 1 1 A 73 73 ALA H H 73 8.452 8.196 0.256 1
1 861 . 16 1 1 A 73 73 ALA CA C 73 51.211 50.702 0.509 1
1 862 . 16 1 1 A 73 73 ALA HA H 73 4.500 4.314 0.186 1
1 863 . 16 1 1 A 73 73 ALA CB C 73 17.185 18.386 -1.201 1
1 867 . 16 1 1 A 73 73 ALA C C 73 176.548 175.884 0.664 1
1 868 . 16 1 1 A 74 74 PRO CA C 74 62.160 62.259 -0.099 1
1 869 . 16 1 1 A 74 74 PRO HA H 74 4.848 4.573 0.275 1
1 870 . 16 1 1 A 74 74 PRO CB C 74 32.897 33.210 -0.313 1
1 874 . 16 1 1 A 74 74 PRO C C 74 177.266 176.260 1.006 1
1 878 . 16 1 1 A 75 75 SER N N 75 115.398 115.185 0.213 1
1 879 . 16 1 1 A 75 75 SER H H 75 9.293 8.753 0.540 1
1 880 . 16 1 1 A 75 75 SER CA C 75 61.024 58.131 2.893 1
1 881 . 16 1 1 A 75 75 SER HA H 75 4.154 4.571 -0.417 1
1 882 . 16 1 1 A 75 75 SER CB C 75 62.867 65.134 -2.267 1
1 884 . 16 1 1 A 75 75 SER C C 75 174.460 173.827 0.633 1
1 886 . 16 1 1 A 76 76 GLY N N 76 106.233 107.720 -1.487 1
1 887 . 16 1 1 A 76 76 GLY H H 76 7.208 7.208 0.000 1
1 888 . 16 1 1 A 76 76 GLY CA C 76 44.930 45.908 -0.978 1
1 889 . 16 1 1 A 76 76 GLY HA3 H 76 4.306 4.018 0.288 1
1 890 . 16 1 1 A 76 76 GLY C C 76 171.327 173.088 -1.761 1
1 891 . 16 1 1 A 76 76 GLY HA2 H 76 4.095 4.013 0.082 1
1 892 . 16 1 1 A 77 77 ASN CA C 77 53.060 53.117 -0.057 1
1 893 . 16 1 1 A 77 77 ASN HA H 77 5.001 4.937 0.064 1
1 894 . 16 1 1 A 77 77 ASN CB C 77 40.650 38.403 2.247 1
1 899 . 16 1 1 A 77 77 ASN C C 77 173.427 173.344 0.083 1
1 901 . 16 1 1 A 78 78 THR N N 78 114.705 114.468 0.237 1
1 902 . 16 1 1 A 78 78 THR H H 78 7.579 7.547 0.032 1
1 903 . 16 1 1 A 78 78 THR CA C 78 59.766 61.091 -1.325 1
1 904 . 16 1 1 A 78 78 THR HA H 78 5.174 5.034 0.140 1
1 905 . 16 1 1 A 78 78 THR CB C 78 71.855 71.905 -0.050 1
1 911 . 16 1 1 A 78 78 THR C C 78 173.138 173.336 -0.198 1
1 912 . 16 1 1 A 79 79 VAL N N 79 123.606 125.376 -1.770 1
1 913 . 16 1 1 A 79 79 VAL H H 79 8.696 9.213 -0.517 1
1 914 . 16 1 1 A 79 79 VAL CA C 79 58.982 58.763 0.219 1
1 915 . 16 1 1 A 79 79 VAL HA H 79 4.495 4.430 0.065 1
1 916 . 16 1 1 A 79 79 VAL CB C 79 32.717 35.643 -2.926 1
1 926 . 16 1 1 A 79 79 VAL C C 79 174.289 173.848 0.441 1
1 927 . 16 1 1 A 80 80 PRO CA C 80 63.184 62.427 0.757 1
1 928 . 16 1 1 A 80 80 PRO HA H 80 4.160 4.742 -0.582 1
1 929 . 16 1 1 A 80 80 PRO CB C 80 33.128 32.241 0.887 1
1 935 . 16 1 1 A 80 80 PRO C C 80 174.009 177.351 -3.342 1
1 939 . 16 1 1 A 81 81 ALA N N 81 120.000 125.957 -5.957 1
1 940 . 16 1 1 A 81 81 ALA H H 81 8.371 8.493 -0.122 1
1 941 . 16 1 1 A 81 81 ALA CA C 81 51.951 53.246 -1.295 1
1 942 . 16 1 1 A 81 81 ALA HA H 81 3.715 4.224 -0.509 1
1 943 . 16 1 1 A 81 81 ALA CB C 81 20.029 19.006 1.023 1
1 947 . 16 1 1 A 81 81 ALA C C 81 176.740 177.583 -0.843 1
1 948 . 16 1 1 A 82 82 ARG N N 82 111.901 117.601 -5.700 1
1 949 . 16 1 1 A 82 82 ARG H H 82 8.724 7.692 1.032 1
1 950 . 16 1 1 A 82 82 ARG CA C 82 57.062 55.182 1.880 1
1 951 . 16 1 1 A 82 82 ARG HA H 82 3.665 4.643 -0.978 1
1 952 . 16 1 1 A 82 82 ARG CB C 82 26.959 30.440 -3.481 1
1 958 . 16 1 1 A 82 82 ARG C C 82 176.777 175.644 1.133 1
1 962 . 16 1 1 A 83 83 GLY N N 83 107.610 109.190 -1.580 1
1 963 . 16 1 1 A 83 83 GLY H H 83 9.251 8.113 1.138 1
1 964 . 16 1 1 A 83 83 GLY CA C 83 46.389 47.180 -0.791 1
1 965 . 16 1 1 A 83 83 GLY HA3 H 83 3.731 4.272 -0.541 1
1 966 . 16 1 1 A 83 83 GLY C C 83 176.193 174.751 1.442 1
1 967 . 16 1 1 A 83 83 GLY HA2 H 83 3.352 4.139 -0.787 1
1 968 . 16 1 1 A 84 84 GLY N N 84 106.030 107.553 -1.523 1
1 969 . 16 1 1 A 84 84 GLY H H 84 7.015 8.235 -1.220 1
1 970 . 16 1 1 A 84 84 GLY CA C 84 45.272 44.501 0.771 1
1 971 . 16 1 1 A 84 84 GLY HA3 H 84 3.537 4.077 -0.540 1
1 972 . 16 1 1 A 84 84 GLY C C 84 171.651 173.180 -1.529 1
1 973 . 16 1 1 A 84 84 GLY HA2 H 84 3.891 4.050 -0.159 1
1 974 . 16 1 1 A 85 85 LEU N N 85 120.524 123.148 -2.624 1
1 975 . 16 1 1 A 85 85 LEU H H 85 7.903 8.258 -0.355 1
1 976 . 16 1 1 A 85 85 LEU CA C 85 53.494 51.053 2.441 1
1 977 . 16 1 1 A 85 85 LEU HA H 85 4.346 4.922 -0.576 1
1 978 . 16 1 1 A 85 85 LEU CB C 85 42.901 43.245 -0.344 1
1 990 . 16 1 1 A 85 85 LEU C C 85 174.362 175.142 -0.780 1
1 992 . 16 1 1 A 86 86 PRO CA C 86 62.752 62.122 0.630 1
1 993 . 16 1 1 A 86 86 PRO HA H 86 4.570 4.563 0.007 1
1 994 . 16 1 1 A 86 86 PRO CB C 86 33.557 32.822 0.735 1
1 1000 . 16 1 1 A 86 86 PRO C C 86 178.338 175.381 2.957 1
1 1004 . 16 1 1 A 87 87 ILE N N 87 118.504 121.383 -2.879 1
1 1005 . 16 1 1 A 87 87 ILE H H 87 7.544 7.855 -0.311 1
1 1006 . 16 1 1 A 87 87 ILE CA C 87 60.571 59.983 0.588 1
1 1007 . 16 1 1 A 87 87 ILE HA H 87 4.021 4.811 -0.790 1
1 1008 . 16 1 1 A 87 87 ILE CB C 87 40.787 40.573 0.214 1
1 1020 . 16 1 1 A 87 87 ILE C C 87 175.620 175.406 0.214 1
1 1022 . 16 1 1 A 88 88 THR N N 88 115.839 116.557 -0.718 1
1 1023 . 16 1 1 A 88 88 THR H H 88 8.788 8.875 -0.087 1
1 1024 . 16 1 1 A 88 88 THR CA C 88 58.935 60.166 -1.231 1
1 1025 . 16 1 1 A 88 88 THR HA H 88 5.678 5.515 0.163 1
1 1026 . 16 1 1 A 88 88 THR CB C 88 72.532 71.516 1.016 1
1 1032 . 16 1 1 A 88 88 THR C C 88 174.318 172.013 2.305 1
1 1033 . 16 1 1 A 89 89 GLN N N 89 121.295 122.549 -1.254 1
1 1034 . 16 1 1 A 89 89 GLN H H 89 8.399 8.978 -0.579 1
1 1035 . 16 1 1 A 89 89 GLN CA C 89 56.259 53.891 2.368 1
1 1036 . 16 1 1 A 89 89 GLN HA H 89 4.528 5.007 -0.479 1
1 1037 . 16 1 1 A 89 89 GLN CB C 89 30.760 32.283 -1.523 1
1 1044 . 16 1 1 A 89 89 GLN C C 89 172.439 173.433 -0.994 1
1 1047 . 16 1 1 A 90 90 LEU N N 90 129.715 127.916 1.799 1
1 1048 . 16 1 1 A 90 90 LEU H H 90 8.426 8.305 0.121 1
1 1049 . 16 1 1 A 90 90 LEU CA C 90 54.513 53.526 0.987 1
1 1050 . 16 1 1 A 90 90 LEU HA H 90 5.103 4.758 0.345 1
1 1051 . 16 1 1 A 90 90 LEU CB C 90 44.412 44.357 0.055 1
1 1063 . 16 1 1 A 90 90 LEU C C 90 175.027 174.303 0.724 1
1 1065 . 16 1 1 A 91 91 PHE N N 91 123.227 124.242 -1.015 1
1 1066 . 16 1 1 A 91 91 PHE H H 91 9.647 8.745 0.902 1
1 1067 . 16 1 1 A 91 91 PHE CA C 91 55.327 56.138 -0.811 1
1 1068 . 16 1 1 A 91 91 PHE HA H 91 5.064 5.292 -0.228 1
1 1069 . 16 1 1 A 91 91 PHE CB C 91 40.899 42.435 -1.536 1
1 1081 . 16 1 1 A 91 91 PHE C C 91 174.296 174.754 -0.458 1
1 1083 . 16 1 1 A 92 92 ARG N N 92 121.174 123.137 -1.963 1
1 1084 . 16 1 1 A 92 92 ARG H H 92 8.726 8.848 -0.122 1
1 1085 . 16 1 1 A 92 92 ARG CA C 92 55.046 55.662 -0.616 1
1 1086 . 16 1 1 A 92 92 ARG HA H 92 5.109 4.776 0.333 1
1 1087 . 16 1 1 A 92 92 ARG CB C 92 32.524 30.731 1.793 1
1 1093 . 16 1 1 A 92 92 ARG C C 92 175.154 175.181 -0.027 1
1 1097 . 16 1 1 A 93 93 ILE N N 93 126.629 125.189 1.440 1
1 1098 . 16 1 1 A 93 93 ILE H H 93 9.599 8.933 0.666 1
1 1099 . 16 1 1 A 93 93 ILE CA C 93 59.538 59.768 -0.230 1
1 1100 . 16 1 1 A 93 93 ILE HA H 93 5.206 5.380 -0.174 1
1 1101 . 16 1 1 A 93 93 ILE CB C 93 40.963 41.193 -0.230 1
1 1113 . 16 1 1 A 93 93 ILE C C 93 174.400 174.924 -0.524 1
1 1115 . 16 1 1 A 94 94 LEU N N 94 127.940 126.596 1.344 1
1 1116 . 16 1 1 A 94 94 LEU H H 94 8.853 8.881 -0.028 1
1 1117 . 16 1 1 A 94 94 LEU CA C 94 53.673 53.445 0.228 1
1 1118 . 16 1 1 A 94 94 LEU HA H 94 5.152 5.218 -0.066 1
1 1119 . 16 1 1 A 94 94 LEU CB C 94 44.245 43.056 1.189 1
1 1131 . 16 1 1 A 94 94 LEU C C 94 176.106 175.746 0.360 1
1 1133 . 16 1 1 A 95 95 ASN N N 95 119.567 123.347 -3.780 1
1 1134 . 16 1 1 A 95 95 ASN H H 95 9.271 9.186 0.085 1
1 1135 . 16 1 1 A 95 95 ASN CA C 95 49.634 51.079 -1.445 1
1 1136 . 16 1 1 A 95 95 ASN HA H 95 5.361 5.273 0.088 1
1 1137 . 16 1 1 A 95 95 ASN CB C 95 39.189 39.215 -0.026 1
1 1142 . 16 1 1 A 95 95 ASN C C 95 173.779 174.033 -0.254 1
1 1144 . 16 1 1 A 96 96 PRO CA C 96 64.795 64.540 0.255 1
1 1145 . 16 1 1 A 96 96 PRO HA H 96 4.306 4.487 -0.181 1
1 1146 . 16 1 1 A 96 96 PRO CB C 96 32.010 31.924 0.086 1
1 1152 . 16 1 1 A 96 96 PRO C C 96 177.656 177.576 0.080 1
1 1156 . 16 1 1 A 97 97 ASN N N 97 114.343 114.695 -0.352 1
1 1157 . 16 1 1 A 97 97 ASN H H 97 8.840 7.891 0.949 1
1 1158 . 16 1 1 A 97 97 ASN CA C 97 52.889 52.886 0.003 1
1 1159 . 16 1 1 A 97 97 ASN HA H 97 4.828 4.789 0.039 1
1 1160 . 16 1 1 A 97 97 ASN CB C 97 38.085 38.617 -0.532 1
1 1165 . 16 1 1 A 97 97 ASN C C 97 174.361 174.409 -0.048 1
1 1167 . 16 1 1 A 98 98 LYS N N 98 118.175 115.981 2.194 1
1 1168 . 16 1 1 A 98 98 LYS H H 98 7.735 7.551 0.184 1
1 1169 . 16 1 1 A 98 98 LYS CA C 98 57.625 57.205 0.420 1
1 1170 . 16 1 1 A 98 98 LYS HA H 98 3.780 3.880 -0.100 1
1 1171 . 16 1 1 A 98 98 LYS CB C 98 29.343 29.450 -0.107 1
1 1179 . 16 1 1 A 98 98 LYS C C 98 174.779 174.781 -0.002 1
1 1184 . 16 1 1 A 99 99 ALA N N 99 122.321 120.993 1.328 1
1 1185 . 16 1 1 A 99 99 ALA H H 99 8.454 7.828 0.626 1
1 1186 . 16 1 1 A 99 99 ALA CA C 99 49.893 49.019 0.874 1
1 1187 . 16 1 1 A 99 99 ALA HA H 99 4.415 4.646 -0.231 1
1 1188 . 16 1 1 A 99 99 ALA CB C 99 18.125 20.355 -2.230 1
1 1192 . 16 1 1 A 99 99 ALA C C 99 175.018 175.957 -0.939 1
1 1193 . 16 1 1 A 100 100 PRO CA C 100 62.082 62.144 -0.062 1
1 1194 . 16 1 1 A 100 100 PRO CB C 100 31.068 29.203 1.865 1
1 1203 . 16 1 1 A 101 101 LEU H H 101 5.223 8.224 -3.001 1
1 1204 . 16 1 1 A 101 101 LEU CA C 101 55.181 53.517 1.664 1
1 1205 . 16 1 1 A 101 101 LEU HA H 101 3.758 4.719 -0.961 1
1 1206 . 16 1 1 A 101 101 LEU CB C 101 43.103 42.519 0.584 1
1 1218 . 16 1 1 A 101 101 LEU C C 101 174.350 176.726 -2.376 1
1 1220 . 16 1 1 A 102 102 ARG N N 102 122.304 119.842 2.462 1
1 1221 . 16 1 1 A 102 102 ARG H H 102 6.412 8.433 -2.021 1
1 1222 . 16 1 1 A 102 102 ARG CA C 102 54.659 54.255 0.404 1
1 1223 . 16 1 1 A 102 102 ARG HA H 102 4.500 4.889 -0.389 1
1 1224 . 16 1 1 A 102 102 ARG CB C 102 33.168 33.245 -0.077 1
1 1230 . 16 1 1 A 102 102 ARG C C 102 173.625 174.835 -1.210 1
1 1234 . 16 1 1 A 103 103 LEU N N 103 119.849 123.709 -3.860 1
1 1235 . 16 1 1 A 103 103 LEU H H 103 8.301 8.708 -0.407 1
1 1236 . 16 1 1 A 103 103 LEU CA C 103 53.667 53.685 -0.018 1
1 1237 . 16 1 1 A 103 103 LEU HA H 103 4.886 5.057 -0.171 1
1 1238 . 16 1 1 A 103 103 LEU CB C 103 47.097 46.581 0.516 1
1 1250 . 16 1 1 A 103 103 LEU C C 103 173.874 173.858 0.016 1
1 1252 . 16 1 1 A 104 104 LYS N N 104 126.165 125.842 0.323 1
1 1253 . 16 1 1 A 104 104 LYS H H 104 8.516 8.687 -0.171 1
1 1254 . 16 1 1 A 104 104 LYS CA C 104 55.117 54.525 0.592 1
1 1255 . 16 1 1 A 104 104 LYS HA H 104 4.773 5.064 -0.291 1
1 1256 . 16 1 1 A 104 104 LYS CB C 104 34.581 35.609 -1.028 1
1 1264 . 16 1 1 A 104 104 LYS C C 104 174.980 174.884 0.096 1
1 1269 . 16 1 1 A 105 105 LEU N N 105 125.172 126.537 -1.365 1
1 1270 . 16 1 1 A 105 105 LEU H H 105 8.586 8.875 -0.289 1
1 1271 . 16 1 1 A 105 105 LEU CA C 105 53.059 53.096 -0.037 1
1 1272 . 16 1 1 A 105 105 LEU HA H 105 4.923 4.903 0.020 1
1 1273 . 16 1 1 A 105 105 LEU CB C 105 44.358 44.320 0.038 1
1 1285 . 16 1 1 A 105 105 LEU C C 105 174.037 174.901 -0.864 1
1 1287 . 16 1 1 A 106 106 ARG N N 106 119.880 125.644 -5.764 1
1 1288 . 16 1 1 A 106 106 ARG H H 106 8.363 9.163 -0.800 1
1 1289 . 16 1 1 A 106 106 ARG CA C 106 54.374 54.386 -0.012 1
1 1290 . 16 1 1 A 106 106 ARG HA H 106 4.926 4.826 0.100 1
1 1291 . 16 1 1 A 106 106 ARG CB C 106 32.783 33.352 -0.569 1
1 1297 . 16 1 1 A 106 106 ARG C C 106 174.611 174.510 0.101 1
1 1301 . 16 1 1 A 107 107 LEU N N 107 128.498 127.760 0.738 1
1 1302 . 16 1 1 A 107 107 LEU H H 107 9.260 8.772 0.488 1
1 1303 . 16 1 1 A 107 107 LEU CA C 107 52.942 53.518 -0.576 1
1 1304 . 16 1 1 A 107 107 LEU HA H 107 5.110 5.233 -0.123 1
1 1305 . 16 1 1 A 107 107 LEU CB C 107 45.279 44.774 0.505 1
1 1317 . 16 1 1 A 107 107 LEU C C 107 175.494 175.878 -0.384 1
1 1319 . 16 1 1 A 108 108 THR N N 108 114.947 115.957 -1.010 1
1 1320 . 16 1 1 A 108 108 THR H H 108 8.424 8.640 -0.216 1
1 1321 . 16 1 1 A 108 108 THR CA C 108 59.201 60.686 -1.485 1
1 1322 . 16 1 1 A 108 108 THR HA H 108 5.344 5.654 -0.310 1
1 1323 . 16 1 1 A 108 108 THR CB C 108 71.413 71.272 0.141 1
1 1329 . 16 1 1 A 108 108 THR C C 108 172.424 173.188 -0.764 1
1 1330 . 16 1 1 A 109 109 TYR N N 109 114.691 120.327 -5.636 1
1 1331 . 16 1 1 A 109 109 TYR H H 109 8.056 8.845 -0.789 1
1 1332 . 16 1 1 A 109 109 TYR CA C 109 57.133 55.687 1.446 1
1 1333 . 16 1 1 A 109 109 TYR HA H 109 4.769 5.333 -0.564 1
1 1334 . 16 1 1 A 109 109 TYR CB C 109 38.008 41.111 -3.103 1
1 1344 . 16 1 1 A 109 109 TYR C C 109 171.790 172.108 -0.318 1
1 1346 . 16 1 1 A 110 110 ASP N N 110 119.179 119.372 -0.193 1
1 1347 . 16 1 1 A 110 110 ASP H H 110 9.332 8.874 0.458 1
1 1348 . 16 1 1 A 110 110 ASP CA C 110 53.147 53.450 -0.303 1
1 1349 . 16 1 1 A 110 110 ASP HA H 110 5.855 5.564 0.291 1
1 1350 . 16 1 1 A 110 110 ASP CB C 110 42.179 42.822 -0.643 1
1 1352 . 16 1 1 A 110 110 ASP C C 110 176.257 174.416 1.841 1
1 1354 . 16 1 1 A 111 111 HIS N N 111 122.092 124.034 -1.942 1
1 1355 . 16 1 1 A 111 111 HIS H H 111 8.993 8.752 0.241 1
1 1356 . 16 1 1 A 111 111 HIS CA C 111 55.365 55.141 0.224 1
1 1357 . 16 1 1 A 111 111 HIS HA H 111 4.768 4.911 -0.143 1
1 1358 . 16 1 1 A 111 111 HIS CB C 111 36.414 32.740 3.674 1
1 1364 . 16 1 1 A 111 111 HIS C C 111 175.420 174.564 0.856 1
1 1366 . 16 1 1 A 112 112 PHE N N 112 129.361 125.590 3.771 1
1 1367 . 16 1 1 A 112 112 PHE H H 112 10.128 9.253 0.875 1
1 1368 . 16 1 1 A 112 112 PHE CA C 112 59.353 58.765 0.588 1
1 1369 . 16 1 1 A 112 112 PHE HA H 112 3.972 4.059 -0.087 1
1 1370 . 16 1 1 A 112 112 PHE CB C 112 36.136 36.598 -0.462 1
1 1382 . 16 1 1 A 112 112 PHE C C 112 175.288 175.088 0.200 1
1 1384 . 16 1 1 A 113 113 HIS N N 113 109.753 109.083 0.670 1
1 1385 . 16 1 1 A 113 113 HIS H H 113 8.856 8.290 0.566 1
1 1386 . 16 1 1 A 113 113 HIS CA C 113 57.593 56.573 1.020 1
1 1387 . 16 1 1 A 113 113 HIS HA H 113 4.168 4.177 -0.009 1
1 1388 . 16 1 1 A 113 113 HIS CB C 113 27.575 27.008 0.567 1
1 1394 . 16 1 1 A 113 113 HIS C C 113 174.146 173.839 0.307 1
1 1396 . 16 1 1 A 114 114 GLN N N 114 118.510 116.524 1.986 1
1 1397 . 16 1 1 A 114 114 GLN H H 114 7.930 7.611 0.319 1
1 1398 . 16 1 1 A 114 114 GLN CA C 114 54.303 54.140 0.163 1
1 1399 . 16 1 1 A 114 114 GLN HA H 114 4.674 4.871 -0.197 1
1 1400 . 16 1 1 A 114 114 GLN CB C 114 31.548 33.283 -1.735 1
1 1407 . 16 1 1 A 114 114 GLN C C 114 174.702 174.661 0.041 1
1 1410 . 16 1 1 A 115 115 SER N N 115 118.183 119.475 -1.292 1
1 1411 . 16 1 1 A 115 115 SER H H 115 8.528 8.831 -0.303 1
1 1412 . 16 1 1 A 115 115 SER CA C 115 57.665 58.717 -1.052 1
1 1413 . 16 1 1 A 115 115 SER HA H 115 5.112 4.893 0.219 1
1 1414 . 16 1 1 A 115 115 SER CB C 115 63.266 63.879 -0.613 1
1 1416 . 16 1 1 A 115 115 SER C C 115 174.157 173.846 0.311 1
1 1418 . 16 1 1 A 116 116 VAL N N 116 130.788 126.946 3.842 1
1 1419 . 16 1 1 A 116 116 VAL H H 116 9.445 9.189 0.256 1
1 1420 . 16 1 1 A 116 116 VAL CA C 116 62.375 61.215 1.160 1
1 1421 . 16 1 1 A 116 116 VAL HA H 116 3.870 4.658 -0.788 1
1 1422 . 16 1 1 A 116 116 VAL CB C 116 32.564 33.399 -0.835 1
1 1432 . 16 1 1 A 116 116 VAL C C 116 175.674 174.521 1.153 1
1 1433 . 16 1 1 A 117 117 GLN N N 117 127.278 129.164 -1.886 1
1 1434 . 16 1 1 A 117 117 GLN H H 117 8.612 9.008 -0.396 1
1 1435 . 16 1 1 A 117 117 GLN CA C 117 55.004 54.503 0.501 1
1 1436 . 16 1 1 A 117 117 GLN HA H 117 5.170 5.485 -0.315 1
1 1437 . 16 1 1 A 117 117 GLN CB C 117 31.166 31.750 -0.584 1
1 1444 . 16 1 1 A 117 117 GLN C C 117 174.229 174.218 0.011 1
1 1447 . 16 1 1 A 118 118 GLU N N 118 125.633 125.197 0.436 1
1 1448 . 16 1 1 A 118 118 GLU H H 118 8.960 8.792 0.168 1
1 1449 . 16 1 1 A 118 118 GLU CA C 118 54.799 55.075 -0.276 1
1 1450 . 16 1 1 A 118 118 GLU HA H 118 4.869 5.219 -0.350 1
1 1451 . 16 1 1 A 118 118 GLU CB C 118 33.675 33.081 0.594 1
1 1455 . 16 1 1 A 118 118 GLU C C 118 174.340 175.220 -0.880 1
1 1458 . 16 1 1 A 119 119 ILE N N 119 123.525 124.554 -1.029 1
1 1459 . 16 1 1 A 119 119 ILE H H 119 8.683 9.005 -0.322 1
1 1460 . 16 1 1 A 119 119 ILE CA C 119 60.005 60.074 -0.069 1
1 1461 . 16 1 1 A 119 119 ILE HA H 119 5.157 4.778 0.379 1
1 1462 . 16 1 1 A 119 119 ILE CB C 119 40.761 39.642 1.119 1
1 1474 . 16 1 1 A 119 119 ILE C C 119 175.386 175.421 -0.035 1
1 1476 . 16 1 1 A 120 120 PHE N N 120 122.954 123.894 -0.940 1
1 1477 . 16 1 1 A 120 120 PHE H H 120 8.647 8.310 0.337 1
1 1478 . 16 1 1 A 120 120 PHE CA C 120 55.754 55.532 0.222 1
1 1479 . 16 1 1 A 120 120 PHE HA H 120 5.064 5.321 -0.257 1
1 1480 . 16 1 1 A 120 120 PHE CB C 120 39.904 42.489 -2.585 1
1 1492 . 16 1 1 A 120 120 PHE C C 120 172.536 172.531 0.005 1
1 1494 . 16 1 1 A 121 121 GLU N N 121 120.205 119.379 0.826 1
1 1495 . 16 1 1 A 121 121 GLU H H 121 8.807 8.845 -0.038 1
1 1496 . 16 1 1 A 121 121 GLU CA C 121 54.976 54.695 0.281 1
1 1497 . 16 1 1 A 121 121 GLU HA H 121 4.795 5.059 -0.264 1
1 1498 . 16 1 1 A 121 121 GLU CB C 121 31.537 33.316 -1.779 1
1 1502 . 16 1 1 A 121 121 GLU C C 121 175.979 175.785 0.194 1
1 1505 . 16 1 1 A 122 122 VAL N N 122 124.567 124.384 0.183 1
1 1506 . 16 1 1 A 122 122 VAL H H 122 8.818 9.033 -0.215 1
1 1507 . 16 1 1 A 122 122 VAL CA C 122 62.536 63.261 -0.725 1
1 1508 . 16 1 1 A 122 122 VAL HA H 122 4.300 4.219 0.081 1
1 1509 . 16 1 1 A 122 122 VAL CB C 122 32.136 31.050 1.086 1
1 1519 . 16 1 1 A 122 122 VAL C C 122 175.324 176.654 -1.330 1
1 1520 . 16 1 1 A 123 123 ASN N N 123 125.013 122.741 2.272 1
1 1521 . 16 1 1 A 123 123 ASN H H 123 8.770 8.784 -0.014 1
1 1522 . 16 1 1 A 123 123 ASN CA C 123 52.889 52.445 0.444 1
1 1523 . 16 1 1 A 123 123 ASN HA H 123 5.072 4.989 0.083 1
1 1524 . 16 1 1 A 123 123 ASN CB C 123 40.114 37.997 2.117 1
1 1529 . 16 1 1 A 123 123 ASN C C 123 174.799 175.834 -1.035 1
1 1531 . 16 1 1 A 124 124 ASN N N 124 117.247 116.372 0.875 1
1 1532 . 16 1 1 A 124 124 ASN H H 124 8.599 8.309 0.290 1
1 1533 . 16 1 1 A 124 124 ASN CA C 124 52.853 52.137 0.716 1
1 1534 . 16 1 1 A 124 124 ASN HA H 124 4.721 4.891 -0.170 1
1 1535 . 16 1 1 A 124 124 ASN CB C 124 36.882 38.930 -2.048 1
1 1540 . 16 1 1 A 124 124 ASN C C 124 174.437 175.710 -1.273 1
1 1542 . 16 1 1 A 125 125 LEU N N 125 119.273 124.105 -4.832 1
1 1543 . 16 1 1 A 125 125 LEU H H 125 8.105 7.387 0.718 1
1 1544 . 16 1 1 A 125 125 LEU CA C 125 53.787 53.797 -0.010 1
1 1545 . 16 1 1 A 125 125 LEU HA H 125 4.187 4.459 -0.272 1
1 1546 . 16 1 1 A 125 125 LEU CB C 125 40.398 41.364 -0.966 1
1 1558 . 16 1 1 A 125 125 LEU C C 125 175.528 174.673 0.855 1
1 1560 . 16 1 1 A 126 126 PRO CA C 126 62.439 62.529 -0.090 1
1 1561 . 16 1 1 A 126 126 PRO HA H 126 4.519 4.496 0.023 1
1 1562 . 16 1 1 A 126 126 PRO CB C 126 31.210 32.413 -1.203 1
1 1568 . 16 1 1 A 126 126 PRO C C 126 179.073 176.981 2.092 1
1 1572 . 16 1 1 A 127 127 VAL N N 127 124.759 123.251 1.508 1
1 1573 . 16 1 1 A 127 127 VAL H H 127 8.794 8.698 0.096 1
1 1574 . 16 1 1 A 127 127 VAL CA C 127 64.360 62.992 1.368 1
1 1575 . 16 1 1 A 127 127 VAL HA H 127 3.216 4.205 -0.989 1
1 1576 . 16 1 1 A 127 127 VAL CB C 127 30.825 31.787 -0.962 1
1 1586 . 16 1 1 A 127 127 VAL C C 127 176.789 176.660 0.129 1
1 1587 . 16 1 1 A 128 128 GLU N N 128 119.892 120.586 -0.694 1
1 1588 . 16 1 1 A 128 128 GLU H H 128 9.460 7.754 1.706 1
1 1589 . 16 1 1 A 128 128 GLU CA C 128 59.216 58.452 0.764 1
1 1590 . 16 1 1 A 128 128 GLU HA H 128 3.831 3.825 0.006 1
1 1591 . 16 1 1 A 128 128 GLU CB C 128 29.188 29.795 -0.607 1
1 1595 . 16 1 1 A 128 128 GLU C C 128 177.624 178.940 -1.316 1
1 1598 . 16 1 1 A 129 129 SER N N 129 112.727 113.731 -1.004 1
1 1599 . 16 1 1 A 129 129 SER H H 129 8.057 7.928 0.129 1
1 1600 . 16 1 1 A 129 129 SER CA C 129 61.024 61.166 -0.142 1
1 1601 . 16 1 1 A 129 129 SER HA H 129 3.925 4.146 -0.221 1
1 1602 . 16 1 1 A 129 129 SER CB C 129 64.440 62.353 2.087 1
1 1604 . 16 1 1 A 129 129 SER C C 129 173.147 174.975 -1.828 1
1 1606 . 16 1 1 A 130 130 TRP N N 130 117.092 117.071 0.021 1
1 1607 . 16 1 1 A 130 130 TRP H H 130 7.184 7.231 -0.047 1
1 1608 . 16 1 1 A 130 130 TRP CA C 130 57.027 57.157 -0.130 1
1 1609 . 16 1 1 A 130 130 TRP HA H 130 4.974 4.861 0.113 1
1 1610 . 16 1 1 A 130 130 TRP CB C 130 31.384 31.095 0.289 1
1 1624 . 16 1 1 A 130 130 TRP C C 130 174.759 176.506 -1.747 1
1 1 . 17 1 1 A 6 6 SER CA C 6 58.371 57.082 1.289 1
1 2 . 17 1 1 A 6 6 SER HA H 6 4.533 4.754 -0.221 1
1 3 . 17 1 1 A 6 6 SER CB C 6 63.994 62.627 1.367 1
1 5 . 17 1 1 A 6 6 SER C C 6 174.472 173.597 0.875 1
1 7 . 17 1 1 A 7 7 GLY N N 7 110.741 113.603 -2.862 1
1 8 . 17 1 1 A 7 7 GLY H H 7 8.209 7.817 0.392 1
1 9 . 17 1 1 A 7 7 GLY CA C 7 44.501 44.397 0.104 1
1 10 . 17 1 1 A 7 7 GLY HA3 H 7 4.059 4.123 -0.064 1
1 11 . 17 1 1 A 7 7 GLY C C 7 171.084 171.987 -0.903 1
1 12 . 17 1 1 A 7 7 GLY HA2 H 7 4.155 4.123 0.032 1
1 13 . 17 1 1 A 8 8 PRO CA C 8 61.515 62.065 -0.550 1
1 14 . 17 1 1 A 8 8 PRO HA H 8 4.713 4.637 0.076 1
1 15 . 17 1 1 A 8 8 PRO CB C 8 30.760 32.114 -1.354 1
1 24 . 17 1 1 A 9 9 PRO HA H 9 4.724 4.572 0.152 1
1 30 . 17 1 1 A 10 10 PRO CA C 10 62.761 62.472 0.289 1
1 31 . 17 1 1 A 10 10 PRO HA H 10 4.389 4.595 -0.206 1
1 32 . 17 1 1 A 10 10 PRO CB C 10 32.082 33.174 -1.092 1
1 37 . 17 1 1 A 10 10 PRO C C 10 176.236 175.336 0.900 1
1 41 . 17 1 1 A 11 11 ALA N N 11 125.926 121.417 4.509 1
1 42 . 17 1 1 A 11 11 ALA H H 11 8.352 8.216 0.136 1
1 43 . 17 1 1 A 11 11 ALA CA C 11 50.343 49.278 1.065 1
1 44 . 17 1 1 A 11 11 ALA HA H 11 4.583 4.806 -0.223 1
1 45 . 17 1 1 A 11 11 ALA CB C 11 18.255 20.259 -2.004 1
1 49 . 17 1 1 A 11 11 ALA C C 11 175.479 175.162 0.317 1
1 50 . 17 1 1 A 12 12 PRO CA C 12 62.757 62.268 0.489 1
1 51 . 17 1 1 A 12 12 PRO HA H 12 4.386 4.647 -0.261 1
1 52 . 17 1 1 A 12 12 PRO CB C 12 32.104 33.139 -1.035 1
1 57 . 17 1 1 A 12 12 PRO C C 12 176.478 175.227 1.251 1
1 61 . 17 1 1 A 13 13 ILE N N 13 124.607 121.066 3.541 1
1 62 . 17 1 1 A 13 13 ILE H H 13 8.661 8.302 0.359 1
1 63 . 17 1 1 A 13 13 ILE CA C 13 59.081 58.011 1.070 1
1 64 . 17 1 1 A 13 13 ILE HA H 13 4.288 4.551 -0.263 1
1 65 . 17 1 1 A 13 13 ILE CB C 13 39.710 40.173 -0.463 1
1 77 . 17 1 1 A 13 13 ILE C C 13 174.727 174.404 0.323 1
1 79 . 17 1 1 A 14 14 PRO CA C 14 63.433 62.374 1.059 1
1 80 . 17 1 1 A 14 14 PRO HA H 14 4.457 4.557 -0.100 1
1 81 . 17 1 1 A 14 14 PRO CB C 14 32.428 32.431 -0.003 1
1 86 . 17 1 1 A 14 14 PRO C C 14 175.380 176.506 -1.126 1
1 90 . 17 1 1 A 15 15 ASP N N 15 118.741 121.820 -3.079 1
1 91 . 17 1 1 A 15 15 ASP H H 15 8.042 8.426 -0.384 1
1 92 . 17 1 1 A 15 15 ASP CA C 15 54.213 55.158 -0.945 1
1 93 . 17 1 1 A 15 15 ASP HA H 15 5.064 4.910 0.154 1
1 94 . 17 1 1 A 15 15 ASP CB C 15 41.793 41.526 0.267 1
1 96 . 17 1 1 A 15 15 ASP C C 15 176.413 175.852 0.561 1
1 98 . 17 1 1 A 16 16 LEU N N 16 121.451 122.810 -1.359 1
1 99 . 17 1 1 A 16 16 LEU H H 16 9.016 8.725 0.291 1
1 100 . 17 1 1 A 16 16 LEU CA C 16 53.914 54.199 -0.285 1
1 101 . 17 1 1 A 16 16 LEU HA H 16 4.847 5.002 -0.155 1
1 102 . 17 1 1 A 16 16 LEU CB C 16 48.283 45.867 2.416 1
1 114 . 17 1 1 A 16 16 LEU C C 16 174.915 174.702 0.213 1
1 116 . 17 1 1 A 17 17 LYS N N 17 130.346 126.734 3.612 1
1 117 . 17 1 1 A 17 17 LYS H H 17 8.937 8.839 0.098 1
1 118 . 17 1 1 A 17 17 LYS CA C 17 57.027 57.078 -0.051 1
1 119 . 17 1 1 A 17 17 LYS HA H 17 4.821 4.354 0.467 1
1 120 . 17 1 1 A 17 17 LYS CB C 17 31.991 32.967 -0.976 1
1 128 . 17 1 1 A 17 17 LYS C C 17 177.744 176.452 1.292 1
1 133 . 17 1 1 A 18 18 VAL N N 18 116.605 121.540 -4.935 1
1 134 . 17 1 1 A 18 18 VAL H H 18 8.228 8.424 -0.196 1
1 135 . 17 1 1 A 18 18 VAL CA C 18 60.586 62.072 -1.486 1
1 136 . 17 1 1 A 18 18 VAL HA H 18 4.807 4.556 0.251 1
1 137 . 17 1 1 A 18 18 VAL CB C 18 33.601 34.297 -0.696 1
1 147 . 17 1 1 A 18 18 VAL C C 18 174.118 175.574 -1.456 1
1 148 . 17 1 1 A 19 19 PHE N N 19 120.586 121.661 -1.075 1
1 149 . 17 1 1 A 19 19 PHE H H 19 7.429 7.631 -0.202 1
1 150 . 17 1 1 A 19 19 PHE CA C 19 57.947 56.718 1.229 1
1 151 . 17 1 1 A 19 19 PHE HA H 19 4.544 4.451 0.093 1
1 152 . 17 1 1 A 19 19 PHE CB C 19 43.455 42.223 1.232 1
1 162 . 17 1 1 A 19 19 PHE C C 19 172.947 172.984 -0.037 1
1 164 . 17 1 1 A 20 20 GLU N N 20 126.790 126.578 0.212 1
1 165 . 17 1 1 A 20 20 GLU H H 20 7.620 8.372 -0.752 1
1 166 . 17 1 1 A 20 20 GLU CA C 20 55.117 54.904 0.213 1
1 167 . 17 1 1 A 20 20 GLU HA H 20 5.059 4.868 0.191 1
1 168 . 17 1 1 A 20 20 GLU CB C 20 32.091 32.134 -0.043 1
1 172 . 17 1 1 A 20 20 GLU C C 20 174.073 174.221 -0.148 1
1 175 . 17 1 1 A 21 21 ARG N N 21 125.153 127.615 -2.462 1
1 176 . 17 1 1 A 21 21 ARG H H 21 8.806 8.604 0.202 1
1 177 . 17 1 1 A 21 21 ARG CA C 21 56.532 54.452 2.080 1
1 178 . 17 1 1 A 21 21 ARG HA H 21 4.234 4.768 -0.534 1
1 179 . 17 1 1 A 21 21 ARG CB C 21 33.707 33.803 -0.096 1
1 185 . 17 1 1 A 21 21 ARG C C 21 176.293 174.782 1.511 1
1 189 . 17 1 1 A 22 22 GLU N N 22 132.286 124.785 7.501 1
1 190 . 17 1 1 A 22 22 GLU H H 22 9.887 8.699 1.188 1
1 191 . 17 1 1 A 22 22 GLU CA C 22 57.271 57.746 -0.475 1
1 192 . 17 1 1 A 22 22 GLU HA H 22 3.968 4.126 -0.158 1
1 193 . 17 1 1 A 22 22 GLU CB C 22 28.595 29.103 -0.508 1
1 197 . 17 1 1 A 22 22 GLU C C 22 175.219 177.105 -1.886 1
1 200 . 17 1 1 A 23 23 GLY N N 23 103.445 113.597 -10.152 1
1 201 . 17 1 1 A 23 23 GLY H H 23 8.570 8.978 -0.408 1
1 202 . 17 1 1 A 23 23 GLY CA C 23 45.698 45.341 0.357 1
1 203 . 17 1 1 A 23 23 GLY HA3 H 23 4.242 4.169 0.073 1
1 204 . 17 1 1 A 23 23 GLY C C 23 173.517 174.370 -0.853 1
1 205 . 17 1 1 A 23 23 GLY HA2 H 23 3.658 4.164 -0.506 1
1 206 . 17 1 1 A 24 24 VAL N N 24 124.489 120.611 3.878 1
1 207 . 17 1 1 A 24 24 VAL H H 24 8.016 8.175 -0.159 1
1 208 . 17 1 1 A 24 24 VAL CA C 24 61.341 61.619 -0.278 1
1 209 . 17 1 1 A 24 24 VAL HA H 24 4.780 4.619 0.161 1
1 210 . 17 1 1 A 24 24 VAL CB C 24 32.051 33.993 -1.942 1
1 220 . 17 1 1 A 24 24 VAL C C 24 175.459 175.289 0.170 1
1 221 . 17 1 1 A 25 25 GLN N N 25 123.296 125.767 -2.471 1
1 222 . 17 1 1 A 25 25 GLN H H 25 8.446 8.668 -0.222 1
1 223 . 17 1 1 A 25 25 GLN CA C 25 53.879 54.355 -0.476 1
1 224 . 17 1 1 A 25 25 GLN HA H 25 5.378 5.245 0.133 1
1 225 . 17 1 1 A 25 25 GLN CB C 25 33.065 32.647 0.418 1
1 232 . 17 1 1 A 25 25 GLN C C 25 174.348 174.172 0.176 1
1 235 . 17 1 1 A 26 26 LEU N N 26 120.847 125.694 -4.847 1
1 236 . 17 1 1 A 26 26 LEU H H 26 8.579 8.945 -0.366 1
1 237 . 17 1 1 A 26 26 LEU CA C 26 53.914 53.561 0.353 1
1 238 . 17 1 1 A 26 26 LEU HA H 26 5.400 5.497 -0.097 1
1 239 . 17 1 1 A 26 26 LEU CB C 26 47.336 45.998 1.338 1
1 251 . 17 1 1 A 26 26 LEU C C 26 174.842 174.727 0.115 1
1 253 . 17 1 1 A 27 27 ASN N N 27 124.346 124.027 0.319 1
1 254 . 17 1 1 A 27 27 ASN H H 27 8.738 8.922 -0.184 1
1 255 . 17 1 1 A 27 27 ASN CA C 27 52.063 51.805 0.258 1
1 256 . 17 1 1 A 27 27 ASN HA H 27 5.542 5.413 0.129 1
1 257 . 17 1 1 A 27 27 ASN CB C 27 43.866 42.214 1.652 1
1 262 . 17 1 1 A 27 27 ASN C C 27 173.520 173.429 0.091 1
1 264 . 17 1 1 A 28 28 LEU N N 28 124.198 124.757 -0.559 1
1 265 . 17 1 1 A 28 28 LEU H H 28 9.406 8.885 0.521 1
1 266 . 17 1 1 A 28 28 LEU CA C 28 53.773 53.415 0.358 1
1 267 . 17 1 1 A 28 28 LEU HA H 28 4.995 5.185 -0.190 1
1 268 . 17 1 1 A 28 28 LEU CB C 28 44.307 44.829 -0.522 1
1 280 . 17 1 1 A 28 28 LEU C C 28 174.670 173.878 0.792 1
1 282 . 17 1 1 A 29 29 SER N N 29 115.017 121.275 -6.258 1
1 283 . 17 1 1 A 29 29 SER H H 29 8.314 8.602 -0.288 1
1 284 . 17 1 1 A 29 29 SER CA C 29 56.340 56.011 0.329 1
1 285 . 17 1 1 A 29 29 SER HA H 29 4.807 5.191 -0.384 1
1 286 . 17 1 1 A 29 29 SER CB C 29 65.926 65.353 0.573 1
1 288 . 17 1 1 A 29 29 SER C C 29 172.842 172.622 0.220 1
1 290 . 17 1 1 A 30 30 PHE N N 30 119.941 124.603 -4.662 1
1 291 . 17 1 1 A 30 30 PHE H H 30 9.366 8.939 0.427 1
1 292 . 17 1 1 A 30 30 PHE CA C 30 57.047 56.404 0.643 1
1 293 . 17 1 1 A 30 30 PHE HA H 30 5.374 5.260 0.114 1
1 294 . 17 1 1 A 30 30 PHE CB C 30 44.307 42.039 2.268 1
1 306 . 17 1 1 A 30 30 PHE C C 30 175.242 175.147 0.095 1
1 308 . 17 1 1 A 31 31 ILE N N 31 122.161 121.612 0.549 1
1 309 . 17 1 1 A 31 31 ILE H H 31 8.950 8.633 0.317 1
1 310 . 17 1 1 A 31 31 ILE CA C 31 60.680 60.408 0.272 1
1 311 . 17 1 1 A 31 31 ILE HA H 31 4.338 4.873 -0.535 1
1 312 . 17 1 1 A 31 31 ILE CB C 31 42.354 42.070 0.284 1
1 324 . 17 1 1 A 31 31 ILE C C 31 174.368 175.272 -0.904 1
1 326 . 17 1 1 A 32 32 ARG N N 32 128.976 127.349 1.627 1
1 327 . 17 1 1 A 32 32 ARG H H 32 8.773 8.873 -0.100 1
1 328 . 17 1 1 A 32 32 ARG CA C 32 51.444 52.670 -1.226 1
1 329 . 17 1 1 A 32 32 ARG HA H 32 5.263 4.841 0.422 1
1 330 . 17 1 1 A 32 32 ARG CB C 32 29.600 31.423 -1.823 1
1 338 . 17 1 1 A 32 32 ARG C C 32 173.585 173.828 -0.243 1
1 342 . 17 1 1 A 33 33 PRO CA C 33 60.759 61.912 -1.153 1
1 343 . 17 1 1 A 33 33 PRO HA H 33 4.581 4.688 -0.107 1
1 344 . 17 1 1 A 33 33 PRO CB C 33 32.219 32.672 -0.453 1
1 353 . 17 1 1 A 34 34 PRO CA C 34 64.464 65.271 -0.807 1
1 354 . 17 1 1 A 34 34 PRO HA H 34 4.236 4.238 -0.002 1
1 355 . 17 1 1 A 34 34 PRO CB C 34 31.997 32.143 -0.146 1
1 361 . 17 1 1 A 34 34 PRO C C 34 178.240 178.410 -0.170 1
1 365 . 17 1 1 A 35 35 GLU N N 35 115.025 115.711 -0.686 1
1 366 . 17 1 1 A 35 35 GLU H H 35 9.287 8.840 0.447 1
1 367 . 17 1 1 A 35 35 GLU CA C 35 57.753 58.783 -1.030 1
1 368 . 17 1 1 A 35 35 GLU HA H 35 4.205 4.128 0.077 1
1 369 . 17 1 1 A 35 35 GLU CB C 35 28.595 28.887 -0.292 1
1 373 . 17 1 1 A 35 35 GLU C C 35 176.471 176.697 -0.226 1
1 376 . 17 1 1 A 36 36 ASN N N 36 114.302 118.107 -3.805 1
1 377 . 17 1 1 A 36 36 ASN H H 36 7.257 7.921 -0.664 1
1 378 . 17 1 1 A 36 36 ASN CA C 36 50.593 50.047 0.546 1
1 379 . 17 1 1 A 36 36 ASN HA H 36 5.024 5.193 -0.169 1
1 380 . 17 1 1 A 36 36 ASN CB C 36 39.094 39.084 0.010 1
1 385 . 17 1 1 A 36 36 ASN C C 36 172.128 173.675 -1.547 1
1 387 . 17 1 1 A 37 37 PRO CA C 37 64.287 65.008 -0.721 1
1 388 . 17 1 1 A 37 37 PRO HA H 37 4.600 4.304 0.296 1
1 389 . 17 1 1 A 37 37 PRO CB C 37 32.235 32.036 0.199 1
1 394 . 17 1 1 A 37 37 PRO C C 37 176.707 178.002 -1.295 1
1 398 . 17 1 1 A 38 38 ALA N N 38 117.780 118.068 -0.288 1
1 399 . 17 1 1 A 38 38 ALA H H 38 7.596 8.051 -0.455 1
1 400 . 17 1 1 A 38 38 ALA CA C 38 52.674 53.473 -0.799 1
1 401 . 17 1 1 A 38 38 ALA HA H 38 4.262 4.221 0.041 1
1 402 . 17 1 1 A 38 38 ALA CB C 38 19.201 19.138 0.063 1
1 406 . 17 1 1 A 38 38 ALA C C 38 176.546 177.201 -0.655 1
1 407 . 17 1 1 A 39 39 LEU N N 39 122.870 120.608 2.262 1
1 408 . 17 1 1 A 39 39 LEU H H 39 7.963 7.454 0.509 1
1 409 . 17 1 1 A 39 39 LEU CA C 39 54.548 54.139 0.409 1
1 410 . 17 1 1 A 39 39 LEU HA H 39 4.953 4.950 0.003 1
1 411 . 17 1 1 A 39 39 LEU CB C 39 44.768 43.485 1.283 1
1 423 . 17 1 1 A 39 39 LEU C C 39 173.627 175.361 -1.734 1
1 425 . 17 1 1 A 40 40 LEU N N 40 125.985 129.298 -3.313 1
1 426 . 17 1 1 A 40 40 LEU H H 40 9.247 9.059 0.188 1
1 427 . 17 1 1 A 40 40 LEU CA C 40 53.914 53.576 0.338 1
1 428 . 17 1 1 A 40 40 LEU HA H 40 5.018 5.152 -0.134 1
1 429 . 17 1 1 A 40 40 LEU CB C 40 45.014 44.453 0.561 1
1 441 . 17 1 1 A 40 40 LEU C C 40 174.170 174.966 -0.796 1
1 443 . 17 1 1 A 41 41 LEU N N 41 125.906 128.894 -2.988 1
1 444 . 17 1 1 A 41 41 LEU H H 41 9.224 9.041 0.183 1
1 445 . 17 1 1 A 41 41 LEU CA C 41 53.190 54.090 -0.900 1
1 446 . 17 1 1 A 41 41 LEU HA H 41 5.222 4.880 0.342 1
1 447 . 17 1 1 A 41 41 LEU CB C 41 42.034 41.375 0.659 1
1 459 . 17 1 1 A 41 41 LEU C C 41 177.109 175.936 1.173 1
1 461 . 17 1 1 A 42 42 ILE N N 42 124.731 125.716 -0.985 1
1 462 . 17 1 1 A 42 42 ILE H H 42 9.087 8.874 0.213 1
1 463 . 17 1 1 A 42 42 ILE CA C 42 59.794 59.931 -0.137 1
1 464 . 17 1 1 A 42 42 ILE HA H 42 5.055 5.111 -0.056 1
1 465 . 17 1 1 A 42 42 ILE CB C 42 41.019 41.101 -0.082 1
1 477 . 17 1 1 A 42 42 ILE C C 42 175.074 175.241 -0.167 1
1 479 . 17 1 1 A 43 43 THR N N 43 123.315 121.305 2.010 1
1 480 . 17 1 1 A 43 43 THR H H 43 8.589 8.521 0.068 1
1 481 . 17 1 1 A 43 43 THR CA C 43 61.677 61.585 0.092 1
1 482 . 17 1 1 A 43 43 THR HA H 43 5.023 5.560 -0.537 1
1 483 . 17 1 1 A 43 43 THR CB C 43 69.838 72.388 -2.550 1
1 489 . 17 1 1 A 43 43 THR C C 43 174.993 173.278 1.715 1
1 490 . 17 1 1 A 44 44 ILE N N 44 126.677 125.957 0.720 1
1 491 . 17 1 1 A 44 44 ILE H H 44 9.329 8.960 0.369 1
1 492 . 17 1 1 A 44 44 ILE CA C 44 59.794 59.957 -0.163 1
1 493 . 17 1 1 A 44 44 ILE HA H 44 4.953 5.009 -0.056 1
1 494 . 17 1 1 A 44 44 ILE CB C 44 38.754 40.556 -1.802 1
1 506 . 17 1 1 A 44 44 ILE C C 44 174.670 175.587 -0.917 1
1 508 . 17 1 1 A 45 45 THR N N 45 120.442 122.151 -1.709 1
1 509 . 17 1 1 A 45 45 THR H H 45 8.740 8.566 0.174 1
1 510 . 17 1 1 A 45 45 THR CA C 45 61.579 61.557 0.022 1
1 511 . 17 1 1 A 45 45 THR HA H 45 5.266 4.848 0.418 1
1 512 . 17 1 1 A 45 45 THR CB C 45 70.338 70.613 -0.275 1
1 518 . 17 1 1 A 45 45 THR C C 45 174.494 173.210 1.284 1
1 519 . 17 1 1 A 46 46 ALA N N 46 134.267 129.802 4.465 1
1 520 . 17 1 1 A 46 46 ALA H H 46 9.489 8.315 1.174 1
1 521 . 17 1 1 A 46 46 ALA CA C 46 49.846 50.153 -0.307 1
1 522 . 17 1 1 A 46 46 ALA HA H 46 5.554 5.165 0.389 1
1 523 . 17 1 1 A 46 46 ALA CB C 46 20.414 20.625 -0.211 1
1 527 . 17 1 1 A 46 46 ALA C C 46 174.819 176.637 -1.818 1
1 528 . 17 1 1 A 47 47 THR N N 47 111.611 114.287 -2.676 1
1 529 . 17 1 1 A 47 47 THR H H 47 8.431 8.588 -0.157 1
1 530 . 17 1 1 A 47 47 THR CA C 47 59.331 59.934 -0.603 1
1 531 . 17 1 1 A 47 47 THR HA H 47 4.409 5.106 -0.697 1
1 532 . 17 1 1 A 47 47 THR CB C 47 71.655 70.836 0.819 1
1 538 . 17 1 1 A 47 47 THR C C 47 173.104 172.320 0.784 1
1 539 . 17 1 1 A 48 48 ASN N N 48 117.087 124.275 -7.188 1
1 540 . 17 1 1 A 48 48 ASN H H 48 8.647 8.576 0.071 1
1 541 . 17 1 1 A 48 48 ASN CA C 48 51.019 51.490 -0.471 1
1 542 . 17 1 1 A 48 48 ASN HA H 48 5.096 4.946 0.150 1
1 543 . 17 1 1 A 48 48 ASN CB C 48 39.880 39.826 0.054 1
1 548 . 17 1 1 A 48 48 ASN C C 48 173.769 174.214 -0.445 1
1 550 . 17 1 1 A 49 49 PHE N N 49 123.238 122.992 0.246 1
1 551 . 17 1 1 A 49 49 PHE H H 49 9.105 8.304 0.801 1
1 552 . 17 1 1 A 49 49 PHE CA C 49 57.422 58.907 -1.485 1
1 553 . 17 1 1 A 49 49 PHE HA H 49 4.601 4.720 -0.119 1
1 554 . 17 1 1 A 49 49 PHE CB C 49 38.770 40.936 -2.166 1
1 566 . 17 1 1 A 49 49 PHE C C 49 176.238 175.744 0.494 1
1 568 . 17 1 1 A 50 50 SER N N 50 118.477 113.515 4.962 1
1 569 . 17 1 1 A 50 50 SER H H 50 8.344 7.731 0.613 1
1 570 . 17 1 1 A 50 50 SER CA C 50 58.654 58.442 0.212 1
1 571 . 17 1 1 A 50 50 SER HA H 50 4.933 4.479 0.454 1
1 572 . 17 1 1 A 50 50 SER CB C 50 66.611 64.792 1.819 1
1 573 . 17 1 1 A 50 50 SER C C 50 173.089 175.443 -2.354 1
1 574 . 17 1 1 A 51 51 GLU N N 51 114.036 118.805 -4.769 1
1 575 . 17 1 1 A 51 51 GLU H H 51 9.051 9.097 -0.046 1
1 576 . 17 1 1 A 51 51 GLU CA C 51 56.701 55.971 0.730 1
1 577 . 17 1 1 A 51 51 GLU HA H 51 4.358 4.448 -0.090 1
1 578 . 17 1 1 A 51 51 GLU CB C 51 30.323 29.358 0.965 1
1 582 . 17 1 1 A 51 51 GLU C C 51 175.603 176.012 -0.409 1
1 585 . 17 1 1 A 52 52 GLY N N 52 109.625 108.998 0.627 1
1 586 . 17 1 1 A 52 52 GLY H H 52 8.525 7.694 0.831 1
1 587 . 17 1 1 A 52 52 GLY CA C 52 44.267 44.510 -0.243 1
1 588 . 17 1 1 A 52 52 GLY HA3 H 52 4.505 3.794 0.711 1
1 589 . 17 1 1 A 52 52 GLY C C 52 173.168 172.473 0.695 1
1 590 . 17 1 1 A 52 52 GLY HA2 H 52 2.842 3.282 -0.440 1
1 591 . 17 1 1 A 53 53 ASP N N 53 125.175 124.984 0.191 1
1 592 . 17 1 1 A 53 53 ASP H H 53 9.001 8.592 0.409 1
1 593 . 17 1 1 A 53 53 ASP CA C 53 55.793 55.213 0.580 1
1 594 . 17 1 1 A 53 53 ASP HA H 53 4.082 4.513 -0.431 1
1 595 . 17 1 1 A 53 53 ASP CB C 53 40.522 41.556 -1.034 1
1 597 . 17 1 1 A 53 53 ASP C C 53 176.506 175.720 0.786 1
1 599 . 17 1 1 A 54 54 VAL N N 54 125.250 121.930 3.320 1
1 600 . 17 1 1 A 54 54 VAL H H 54 7.873 8.019 -0.146 1
1 601 . 17 1 1 A 54 54 VAL CA C 54 61.350 60.876 0.474 1
1 602 . 17 1 1 A 54 54 VAL HA H 54 4.759 4.748 0.011 1
1 603 . 17 1 1 A 54 54 VAL CB C 54 32.808 33.633 -0.825 1
1 613 . 17 1 1 A 54 54 VAL C C 54 176.126 174.645 1.481 1
1 614 . 17 1 1 A 55 55 THR N N 55 116.888 116.324 0.564 1
1 615 . 17 1 1 A 55 55 THR H H 55 9.004 8.436 0.568 1
1 616 . 17 1 1 A 55 55 THR CA C 55 59.194 59.828 -0.634 1
1 617 . 17 1 1 A 55 55 THR HA H 55 4.920 4.684 0.236 1
1 618 . 17 1 1 A 55 55 THR CB C 55 72.508 71.865 0.643 1
1 624 . 17 1 1 A 55 55 THR C C 55 173.166 173.067 0.099 1
1 625 . 17 1 1 A 56 56 HIS N N 56 115.667 116.609 -0.942 1
1 626 . 17 1 1 A 56 56 HIS H H 56 9.193 8.617 0.576 1
1 627 . 17 1 1 A 56 56 HIS CA C 56 56.363 56.878 -0.515 1
1 628 . 17 1 1 A 56 56 HIS HA H 56 4.153 4.029 0.124 1
1 629 . 17 1 1 A 56 56 HIS CB C 56 26.923 26.935 -0.012 1
1 635 . 17 1 1 A 56 56 HIS C C 56 173.611 174.042 -0.431 1
1 637 . 17 1 1 A 57 57 PHE N N 57 118.625 118.671 -0.046 1
1 638 . 17 1 1 A 57 57 PHE H H 57 8.932 8.148 0.784 1
1 639 . 17 1 1 A 57 57 PHE CA C 57 59.503 59.019 0.484 1
1 640 . 17 1 1 A 57 57 PHE HA H 57 4.819 4.452 0.367 1
1 641 . 17 1 1 A 57 57 PHE CB C 57 39.871 39.130 0.741 1
1 653 . 17 1 1 A 57 57 PHE C C 57 176.025 174.950 1.075 1
1 655 . 17 1 1 A 58 58 ILE N N 58 131.418 127.579 3.839 1
1 656 . 17 1 1 A 58 58 ILE H H 58 8.989 8.611 0.378 1
1 657 . 17 1 1 A 58 58 ILE CA C 58 61.138 59.844 1.294 1
1 658 . 17 1 1 A 58 58 ILE HA H 58 4.001 4.657 -0.656 1
1 659 . 17 1 1 A 58 58 ILE CB C 58 41.349 39.496 1.853 1
1 671 . 17 1 1 A 58 58 ILE C C 58 173.046 174.886 -1.840 1
1 673 . 17 1 1 A 59 59 CYS N N 59 126.838 124.505 2.333 1
1 674 . 17 1 1 A 59 59 CYS H H 59 8.844 9.176 -0.332 1
1 675 . 17 1 1 A 59 59 CYS CA C 59 56.902 57.354 -0.452 1
1 676 . 17 1 1 A 59 59 CYS HA H 59 5.044 5.371 -0.327 1
1 677 . 17 1 1 A 59 59 CYS CB C 59 28.363 30.159 -1.796 1
1 679 . 17 1 1 A 59 59 CYS C C 59 173.375 173.403 -0.028 1
1 681 . 17 1 1 A 60 60 GLN N N 60 126.903 123.018 3.885 1
1 682 . 17 1 1 A 60 60 GLN H H 60 8.929 8.363 0.566 1
1 683 . 17 1 1 A 60 60 GLN CA C 60 54.162 54.316 -0.154 1
1 684 . 17 1 1 A 60 60 GLN HA H 60 4.656 5.110 -0.454 1
1 685 . 17 1 1 A 60 60 GLN CB C 60 31.991 33.255 -1.264 1
1 691 . 17 1 1 A 60 60 GLN C C 60 174.000 174.431 -0.431 1
1 694 . 17 1 1 A 61 61 ALA N N 61 124.049 121.638 2.411 1
1 695 . 17 1 1 A 61 61 ALA H H 61 8.178 8.601 -0.423 1
1 696 . 17 1 1 A 61 61 ALA CA C 61 50.160 51.227 -1.067 1
1 697 . 17 1 1 A 61 61 ALA HA H 61 5.192 5.195 -0.003 1
1 698 . 17 1 1 A 61 61 ALA CB C 61 23.419 23.764 -0.345 1
1 702 . 17 1 1 A 61 61 ALA C C 61 175.076 175.225 -0.149 1
1 703 . 17 1 1 A 62 62 ALA N N 62 121.362 120.891 0.471 1
1 704 . 17 1 1 A 62 62 ALA H H 62 8.488 8.258 0.230 1
1 705 . 17 1 1 A 62 62 ALA CA C 62 51.309 51.447 -0.138 1
1 706 . 17 1 1 A 62 62 ALA HA H 62 4.667 5.084 -0.417 1
1 707 . 17 1 1 A 62 62 ALA CB C 62 22.617 22.354 0.263 1
1 711 . 17 1 1 A 62 62 ALA C C 62 176.013 175.984 0.029 1
1 712 . 17 1 1 A 63 63 VAL N N 63 113.572 116.987 -3.415 1
1 713 . 17 1 1 A 63 63 VAL H H 63 8.271 8.675 -0.404 1
1 714 . 17 1 1 A 63 63 VAL CA C 63 57.691 57.834 -0.143 1
1 715 . 17 1 1 A 63 63 VAL HA H 63 5.045 4.951 0.094 1
1 716 . 17 1 1 A 63 63 VAL CB C 63 32.968 34.107 -1.139 1
1 726 . 17 1 1 A 63 63 VAL C C 63 173.707 173.279 0.428 1
1 727 . 17 1 1 A 64 64 PRO CA C 64 62.757 62.500 0.257 1
1 728 . 17 1 1 A 64 64 PRO HA H 64 4.459 4.639 -0.180 1
1 729 . 17 1 1 A 64 64 PRO CB C 64 32.728 32.599 0.129 1
1 735 . 17 1 1 A 64 64 PRO C C 64 176.348 177.783 -1.435 1
1 739 . 17 1 1 A 65 65 LYS N N 65 118.624 123.886 -5.262 1
1 740 . 17 1 1 A 65 65 LYS H H 65 8.323 8.538 -0.215 1
1 741 . 17 1 1 A 65 65 LYS CA C 65 58.516 59.886 -1.370 1
1 742 . 17 1 1 A 65 65 LYS HA H 65 4.183 3.865 0.318 1
1 743 . 17 1 1 A 65 65 LYS CB C 65 32.320 32.145 0.175 1
1 751 . 17 1 1 A 65 65 LYS C C 65 176.595 178.601 -2.006 1
1 756 . 17 1 1 A 66 66 SER N N 66 111.762 116.033 -4.271 1
1 757 . 17 1 1 A 66 66 SER H H 66 7.779 7.979 -0.200 1
1 758 . 17 1 1 A 66 66 SER CA C 66 59.298 62.458 -3.160 1
1 759 . 17 1 1 A 66 66 SER HA H 66 4.234 4.121 0.113 1
1 760 . 17 1 1 A 66 66 SER CB C 66 62.984 62.984 0.000 1
1 762 . 17 1 1 A 66 66 SER C C 66 174.137 175.039 -0.902 1
1 764 . 17 1 1 A 67 67 LEU N N 67 124.569 118.568 6.001 1
1 765 . 17 1 1 A 67 67 LEU H H 67 8.109 8.127 -0.018 1
1 766 . 17 1 1 A 67 67 LEU CA C 67 54.940 53.302 1.638 1
1 767 . 17 1 1 A 67 67 LEU HA H 67 4.836 4.864 -0.028 1
1 768 . 17 1 1 A 67 67 LEU CB C 67 43.882 43.760 0.122 1
1 780 . 17 1 1 A 67 67 LEU C C 67 174.925 175.792 -0.867 1
1 782 . 17 1 1 A 68 68 GLN N N 68 117.163 120.928 -3.765 1
1 783 . 17 1 1 A 68 68 GLN H H 68 8.063 8.709 -0.646 1
1 784 . 17 1 1 A 68 68 GLN CA C 68 54.829 54.067 0.762 1
1 785 . 17 1 1 A 68 68 GLN HA H 68 4.674 5.133 -0.459 1
1 786 . 17 1 1 A 68 68 GLN CB C 68 31.579 32.285 -0.706 1
1 793 . 17 1 1 A 68 68 GLN C C 68 174.077 173.882 0.195 1
1 796 . 17 1 1 A 69 69 LEU N N 69 126.046 124.180 1.866 1
1 797 . 17 1 1 A 69 69 LEU H H 69 8.676 8.865 -0.189 1
1 798 . 17 1 1 A 69 69 LEU CA C 69 54.073 53.849 0.224 1
1 799 . 17 1 1 A 69 69 LEU HA H 69 5.231 5.349 -0.118 1
1 800 . 17 1 1 A 69 69 LEU CB C 69 45.602 46.656 -1.054 1
1 811 . 17 1 1 A 69 69 LEU C C 69 175.497 174.575 0.922 1
1 813 . 17 1 1 A 70 70 GLN N N 70 126.758 123.984 2.774 1
1 814 . 17 1 1 A 70 70 GLN H H 70 9.410 8.662 0.748 1
1 815 . 17 1 1 A 70 70 GLN CA C 70 54.657 55.467 -0.810 1
1 816 . 17 1 1 A 70 70 GLN HA H 70 4.746 4.702 0.044 1
1 817 . 17 1 1 A 70 70 GLN CB C 70 31.537 31.591 -0.054 1
1 824 . 17 1 1 A 70 70 GLN C C 70 174.686 174.141 0.545 1
1 827 . 17 1 1 A 71 71 LEU N N 71 126.413 128.228 -1.815 1
1 828 . 17 1 1 A 71 71 LEU H H 71 8.936 8.695 0.241 1
1 829 . 17 1 1 A 71 71 LEU CA C 71 55.294 54.912 0.382 1
1 830 . 17 1 1 A 71 71 LEU HA H 71 4.752 4.432 0.320 1
1 831 . 17 1 1 A 71 71 LEU CB C 71 43.898 42.804 1.094 1
1 843 . 17 1 1 A 71 71 LEU C C 71 176.498 175.738 0.760 1
1 845 . 17 1 1 A 72 72 GLN N N 72 121.553 127.604 -6.051 1
1 846 . 17 1 1 A 72 72 GLN H H 72 8.100 7.855 0.245 1
1 847 . 17 1 1 A 72 72 GLN CA C 72 54.209 54.782 -0.573 1
1 848 . 17 1 1 A 72 72 GLN HA H 72 4.589 4.239 0.350 1
1 849 . 17 1 1 A 72 72 GLN CB C 72 31.142 29.716 1.426 1
1 856 . 17 1 1 A 72 72 GLN C C 72 174.254 175.611 -1.357 1
1 859 . 17 1 1 A 73 73 ALA N N 73 124.262 125.684 -1.422 1
1 860 . 17 1 1 A 73 73 ALA H H 73 8.452 8.352 0.100 1
1 861 . 17 1 1 A 73 73 ALA CA C 73 51.211 50.464 0.747 1
1 862 . 17 1 1 A 73 73 ALA HA H 73 4.500 4.373 0.127 1
1 863 . 17 1 1 A 73 73 ALA CB C 73 17.185 19.080 -1.895 1
1 867 . 17 1 1 A 73 73 ALA C C 73 176.548 175.905 0.643 1
1 868 . 17 1 1 A 74 74 PRO CA C 74 62.160 62.361 -0.201 1
1 869 . 17 1 1 A 74 74 PRO HA H 74 4.848 4.608 0.240 1
1 870 . 17 1 1 A 74 74 PRO CB C 74 32.897 33.499 -0.602 1
1 874 . 17 1 1 A 74 74 PRO C C 74 177.266 176.479 0.787 1
1 878 . 17 1 1 A 75 75 SER N N 75 115.398 115.442 -0.044 1
1 879 . 17 1 1 A 75 75 SER H H 75 9.293 8.776 0.517 1
1 880 . 17 1 1 A 75 75 SER CA C 75 61.024 59.351 1.673 1
1 881 . 17 1 1 A 75 75 SER HA H 75 4.154 4.482 -0.328 1
1 882 . 17 1 1 A 75 75 SER CB C 75 62.867 64.793 -1.926 1
1 884 . 17 1 1 A 75 75 SER C C 75 174.460 174.256 0.204 1
1 886 . 17 1 1 A 76 76 GLY N N 76 106.233 106.628 -0.395 1
1 887 . 17 1 1 A 76 76 GLY H H 76 7.208 7.295 -0.087 1
1 888 . 17 1 1 A 76 76 GLY CA C 76 44.930 46.032 -1.102 1
1 889 . 17 1 1 A 76 76 GLY HA3 H 76 4.306 4.039 0.267 1
1 890 . 17 1 1 A 76 76 GLY C C 76 171.327 172.341 -1.014 1
1 891 . 17 1 1 A 76 76 GLY HA2 H 76 4.095 4.018 0.077 1
1 892 . 17 1 1 A 77 77 ASN CA C 77 53.060 53.080 -0.020 1
1 893 . 17 1 1 A 77 77 ASN HA H 77 5.001 5.078 -0.077 1
1 894 . 17 1 1 A 77 77 ASN CB C 77 40.650 38.437 2.213 1
1 899 . 17 1 1 A 77 77 ASN C C 77 173.427 173.514 -0.087 1
1 901 . 17 1 1 A 78 78 THR N N 78 114.705 114.348 0.357 1
1 902 . 17 1 1 A 78 78 THR H H 78 7.579 7.498 0.081 1
1 903 . 17 1 1 A 78 78 THR CA C 78 59.766 61.057 -1.291 1
1 904 . 17 1 1 A 78 78 THR HA H 78 5.174 4.960 0.214 1
1 905 . 17 1 1 A 78 78 THR CB C 78 71.855 72.012 -0.157 1
1 911 . 17 1 1 A 78 78 THR C C 78 173.138 173.240 -0.102 1
1 912 . 17 1 1 A 79 79 VAL N N 79 123.606 125.212 -1.606 1
1 913 . 17 1 1 A 79 79 VAL H H 79 8.696 8.904 -0.208 1
1 914 . 17 1 1 A 79 79 VAL CA C 79 58.982 58.801 0.181 1
1 915 . 17 1 1 A 79 79 VAL HA H 79 4.495 4.401 0.094 1
1 916 . 17 1 1 A 79 79 VAL CB C 79 32.717 35.745 -3.028 1
1 926 . 17 1 1 A 79 79 VAL C C 79 174.289 173.787 0.502 1
1 927 . 17 1 1 A 80 80 PRO CA C 80 63.184 62.778 0.406 1
1 928 . 17 1 1 A 80 80 PRO HA H 80 4.160 4.577 -0.417 1
1 929 . 17 1 1 A 80 80 PRO CB C 80 33.128 32.797 0.331 1
1 935 . 17 1 1 A 80 80 PRO C C 80 174.009 177.069 -3.060 1
1 939 . 17 1 1 A 81 81 ALA N N 81 120.000 125.757 -5.757 1
1 940 . 17 1 1 A 81 81 ALA H H 81 8.371 8.490 -0.119 1
1 941 . 17 1 1 A 81 81 ALA CA C 81 51.951 53.583 -1.632 1
1 942 . 17 1 1 A 81 81 ALA HA H 81 3.715 4.032 -0.317 1
1 943 . 17 1 1 A 81 81 ALA CB C 81 20.029 18.684 1.345 1
1 947 . 17 1 1 A 81 81 ALA C C 81 176.740 177.549 -0.809 1
1 948 . 17 1 1 A 82 82 ARG N N 82 111.901 117.318 -5.417 1
1 949 . 17 1 1 A 82 82 ARG H H 82 8.724 7.719 1.005 1
1 950 . 17 1 1 A 82 82 ARG CA C 82 57.062 55.049 2.013 1
1 951 . 17 1 1 A 82 82 ARG HA H 82 3.665 4.592 -0.927 1
1 952 . 17 1 1 A 82 82 ARG CB C 82 26.959 30.605 -3.646 1
1 958 . 17 1 1 A 82 82 ARG C C 82 176.777 176.433 0.344 1
1 962 . 17 1 1 A 83 83 GLY N N 83 107.610 108.110 -0.500 1
1 963 . 17 1 1 A 83 83 GLY H H 83 9.251 7.784 1.467 1
1 964 . 17 1 1 A 83 83 GLY CA C 83 46.389 45.139 1.250 1
1 965 . 17 1 1 A 83 83 GLY HA3 H 83 3.731 3.869 -0.138 1
1 966 . 17 1 1 A 83 83 GLY C C 83 176.193 175.019 1.174 1
1 967 . 17 1 1 A 83 83 GLY HA2 H 83 3.352 3.602 -0.250 1
1 968 . 17 1 1 A 84 84 GLY N N 84 106.030 107.404 -1.374 1
1 969 . 17 1 1 A 84 84 GLY H H 84 7.015 8.880 -1.865 1
1 970 . 17 1 1 A 84 84 GLY CA C 84 45.272 47.414 -2.142 1
1 971 . 17 1 1 A 84 84 GLY HA3 H 84 3.537 3.768 -0.231 1
1 972 . 17 1 1 A 84 84 GLY C C 84 171.651 173.748 -2.097 1
1 973 . 17 1 1 A 84 84 GLY HA2 H 84 3.891 3.746 0.145 1
1 974 . 17 1 1 A 85 85 LEU N N 85 120.524 125.024 -4.500 1
1 975 . 17 1 1 A 85 85 LEU H H 85 7.903 8.361 -0.458 1
1 976 . 17 1 1 A 85 85 LEU CA C 85 53.494 51.312 2.182 1
1 977 . 17 1 1 A 85 85 LEU HA H 85 4.346 4.730 -0.384 1
1 978 . 17 1 1 A 85 85 LEU CB C 85 42.901 45.168 -2.267 1
1 990 . 17 1 1 A 85 85 LEU C C 85 174.362 174.453 -0.091 1
1 992 . 17 1 1 A 86 86 PRO CA C 86 62.752 62.081 0.671 1
1 993 . 17 1 1 A 86 86 PRO HA H 86 4.570 4.535 0.035 1
1 994 . 17 1 1 A 86 86 PRO CB C 86 33.557 32.882 0.675 1
1 1000 . 17 1 1 A 86 86 PRO C C 86 178.338 175.293 3.045 1
1 1004 . 17 1 1 A 87 87 ILE N N 87 118.504 121.295 -2.791 1
1 1005 . 17 1 1 A 87 87 ILE H H 87 7.544 8.215 -0.671 1
1 1006 . 17 1 1 A 87 87 ILE CA C 87 60.571 60.462 0.109 1
1 1007 . 17 1 1 A 87 87 ILE HA H 87 4.021 4.531 -0.510 1
1 1008 . 17 1 1 A 87 87 ILE CB C 87 40.787 39.050 1.737 1
1 1020 . 17 1 1 A 87 87 ILE C C 87 175.620 175.546 0.074 1
1 1022 . 17 1 1 A 88 88 THR N N 88 115.839 118.118 -2.279 1
1 1023 . 17 1 1 A 88 88 THR H H 88 8.788 8.970 -0.182 1
1 1024 . 17 1 1 A 88 88 THR CA C 88 58.935 60.402 -1.467 1
1 1025 . 17 1 1 A 88 88 THR HA H 88 5.678 5.703 -0.025 1
1 1026 . 17 1 1 A 88 88 THR CB C 88 72.532 71.268 1.264 1
1 1032 . 17 1 1 A 88 88 THR C C 88 174.318 173.566 0.752 1
1 1033 . 17 1 1 A 89 89 GLN N N 89 121.295 122.067 -0.772 1
1 1034 . 17 1 1 A 89 89 GLN H H 89 8.399 9.047 -0.648 1
1 1035 . 17 1 1 A 89 89 GLN CA C 89 56.259 54.612 1.647 1
1 1036 . 17 1 1 A 89 89 GLN HA H 89 4.528 4.968 -0.440 1
1 1037 . 17 1 1 A 89 89 GLN CB C 89 30.760 32.596 -1.836 1
1 1044 . 17 1 1 A 89 89 GLN C C 89 172.439 174.122 -1.683 1
1 1047 . 17 1 1 A 90 90 LEU N N 90 129.715 123.476 6.239 1
1 1048 . 17 1 1 A 90 90 LEU H H 90 8.426 8.431 -0.005 1
1 1049 . 17 1 1 A 90 90 LEU CA C 90 54.513 52.865 1.648 1
1 1050 . 17 1 1 A 90 90 LEU HA H 90 5.103 5.382 -0.279 1
1 1051 . 17 1 1 A 90 90 LEU CB C 90 44.412 45.746 -1.334 1
1 1063 . 17 1 1 A 90 90 LEU C C 90 175.027 173.979 1.048 1
1 1065 . 17 1 1 A 91 91 PHE N N 91 123.227 123.806 -0.579 1
1 1066 . 17 1 1 A 91 91 PHE H H 91 9.647 8.791 0.856 1
1 1067 . 17 1 1 A 91 91 PHE CA C 91 55.327 56.303 -0.976 1
1 1068 . 17 1 1 A 91 91 PHE HA H 91 5.064 5.155 -0.091 1
1 1069 . 17 1 1 A 91 91 PHE CB C 91 40.899 41.799 -0.900 1
1 1081 . 17 1 1 A 91 91 PHE C C 91 174.296 175.082 -0.786 1
1 1083 . 17 1 1 A 92 92 ARG N N 92 121.174 124.621 -3.447 1
1 1084 . 17 1 1 A 92 92 ARG H H 92 8.726 8.883 -0.157 1
1 1085 . 17 1 1 A 92 92 ARG CA C 92 55.046 56.260 -1.214 1
1 1086 . 17 1 1 A 92 92 ARG HA H 92 5.109 4.833 0.276 1
1 1087 . 17 1 1 A 92 92 ARG CB C 92 32.524 30.950 1.574 1
1 1093 . 17 1 1 A 92 92 ARG C C 92 175.154 175.830 -0.676 1
1 1097 . 17 1 1 A 93 93 ILE N N 93 126.629 124.126 2.503 1
1 1098 . 17 1 1 A 93 93 ILE H H 93 9.599 8.794 0.805 1
1 1099 . 17 1 1 A 93 93 ILE CA C 93 59.538 60.184 -0.646 1
1 1100 . 17 1 1 A 93 93 ILE HA H 93 5.206 5.309 -0.103 1
1 1101 . 17 1 1 A 93 93 ILE CB C 93 40.963 42.267 -1.304 1
1 1113 . 17 1 1 A 93 93 ILE C C 93 174.400 174.754 -0.354 1
1 1115 . 17 1 1 A 94 94 LEU N N 94 127.940 127.488 0.452 1
1 1116 . 17 1 1 A 94 94 LEU H H 94 8.853 8.977 -0.124 1
1 1117 . 17 1 1 A 94 94 LEU CA C 94 53.673 53.535 0.138 1
1 1118 . 17 1 1 A 94 94 LEU HA H 94 5.152 5.158 -0.006 1
1 1119 . 17 1 1 A 94 94 LEU CB C 94 44.245 42.763 1.482 1
1 1131 . 17 1 1 A 94 94 LEU C C 94 176.106 175.650 0.456 1
1 1133 . 17 1 1 A 95 95 ASN N N 95 119.567 123.401 -3.834 1
1 1134 . 17 1 1 A 95 95 ASN H H 95 9.271 8.946 0.325 1
1 1135 . 17 1 1 A 95 95 ASN CA C 95 49.634 50.803 -1.169 1
1 1136 . 17 1 1 A 95 95 ASN HA H 95 5.361 5.279 0.082 1
1 1137 . 17 1 1 A 95 95 ASN CB C 95 39.189 39.169 0.020 1
1 1142 . 17 1 1 A 95 95 ASN C C 95 173.779 174.170 -0.391 1
1 1144 . 17 1 1 A 96 96 PRO CA C 96 64.795 64.410 0.385 1
1 1145 . 17 1 1 A 96 96 PRO HA H 96 4.306 4.492 -0.186 1
1 1146 . 17 1 1 A 96 96 PRO CB C 96 32.010 31.924 0.086 1
1 1152 . 17 1 1 A 96 96 PRO C C 96 177.656 177.318 0.338 1
1 1156 . 17 1 1 A 97 97 ASN N N 97 114.343 114.549 -0.206 1
1 1157 . 17 1 1 A 97 97 ASN H H 97 8.840 7.817 1.023 1
1 1158 . 17 1 1 A 97 97 ASN CA C 97 52.889 52.692 0.197 1
1 1159 . 17 1 1 A 97 97 ASN HA H 97 4.828 4.816 0.012 1
1 1160 . 17 1 1 A 97 97 ASN CB C 97 38.085 38.482 -0.397 1
1 1165 . 17 1 1 A 97 97 ASN C C 97 174.361 174.326 0.035 1
1 1167 . 17 1 1 A 98 98 LYS N N 98 118.175 115.730 2.445 1
1 1168 . 17 1 1 A 98 98 LYS H H 98 7.735 7.526 0.209 1
1 1169 . 17 1 1 A 98 98 LYS CA C 98 57.625 57.286 0.339 1
1 1170 . 17 1 1 A 98 98 LYS HA H 98 3.780 3.909 -0.129 1
1 1171 . 17 1 1 A 98 98 LYS CB C 98 29.343 29.318 0.025 1
1 1179 . 17 1 1 A 98 98 LYS C C 98 174.779 174.843 -0.064 1
1 1184 . 17 1 1 A 99 99 ALA N N 99 122.321 121.438 0.883 1
1 1185 . 17 1 1 A 99 99 ALA H H 99 8.454 7.822 0.632 1
1 1186 . 17 1 1 A 99 99 ALA CA C 99 49.893 48.912 0.981 1
1 1187 . 17 1 1 A 99 99 ALA HA H 99 4.415 4.621 -0.206 1
1 1188 . 17 1 1 A 99 99 ALA CB C 99 18.125 20.321 -2.196 1
1 1192 . 17 1 1 A 99 99 ALA C C 99 175.018 176.168 -1.150 1
1 1193 . 17 1 1 A 100 100 PRO CA C 100 62.082 62.334 -0.252 1
1 1194 . 17 1 1 A 100 100 PRO CB C 100 31.068 29.518 1.550 1
1 1203 . 17 1 1 A 101 101 LEU H H 101 5.223 8.348 -3.125 1
1 1204 . 17 1 1 A 101 101 LEU CA C 101 55.181 53.337 1.844 1
1 1205 . 17 1 1 A 101 101 LEU HA H 101 3.758 4.874 -1.116 1
1 1206 . 17 1 1 A 101 101 LEU CB C 101 43.103 42.852 0.251 1
1 1218 . 17 1 1 A 101 101 LEU C C 101 174.350 176.568 -2.218 1
1 1220 . 17 1 1 A 102 102 ARG N N 102 122.304 118.155 4.149 1
1 1221 . 17 1 1 A 102 102 ARG H H 102 6.412 8.782 -2.370 1
1 1222 . 17 1 1 A 102 102 ARG CA C 102 54.659 54.411 0.248 1
1 1223 . 17 1 1 A 102 102 ARG HA H 102 4.500 5.098 -0.598 1
1 1224 . 17 1 1 A 102 102 ARG CB C 102 33.168 33.085 0.083 1
1 1230 . 17 1 1 A 102 102 ARG C C 102 173.625 174.232 -0.607 1
1 1234 . 17 1 1 A 103 103 LEU N N 103 119.849 122.060 -2.211 1
1 1235 . 17 1 1 A 103 103 LEU H H 103 8.301 8.862 -0.561 1
1 1236 . 17 1 1 A 103 103 LEU CA C 103 53.667 53.624 0.043 1
1 1237 . 17 1 1 A 103 103 LEU HA H 103 4.886 5.099 -0.213 1
1 1238 . 17 1 1 A 103 103 LEU CB C 103 47.097 46.542 0.555 1
1 1250 . 17 1 1 A 103 103 LEU C C 103 173.874 173.586 0.288 1
1 1252 . 17 1 1 A 104 104 LYS N N 104 126.165 127.871 -1.706 1
1 1253 . 17 1 1 A 104 104 LYS H H 104 8.516 8.705 -0.189 1
1 1254 . 17 1 1 A 104 104 LYS CA C 104 55.117 54.616 0.501 1
1 1255 . 17 1 1 A 104 104 LYS HA H 104 4.773 5.138 -0.365 1
1 1256 . 17 1 1 A 104 104 LYS CB C 104 34.581 34.330 0.251 1
1 1264 . 17 1 1 A 104 104 LYS C C 104 174.980 174.824 0.156 1
1 1269 . 17 1 1 A 105 105 LEU N N 105 125.172 125.908 -0.736 1
1 1270 . 17 1 1 A 105 105 LEU H H 105 8.586 8.208 0.378 1
1 1271 . 17 1 1 A 105 105 LEU CA C 105 53.059 53.085 -0.026 1
1 1272 . 17 1 1 A 105 105 LEU HA H 105 4.923 5.085 -0.162 1
1 1273 . 17 1 1 A 105 105 LEU CB C 105 44.358 45.698 -1.340 1
1 1285 . 17 1 1 A 105 105 LEU C C 105 174.037 174.662 -0.625 1
1 1287 . 17 1 1 A 106 106 ARG N N 106 119.880 125.086 -5.206 1
1 1288 . 17 1 1 A 106 106 ARG H H 106 8.363 8.892 -0.529 1
1 1289 . 17 1 1 A 106 106 ARG CA C 106 54.374 53.880 0.494 1
1 1290 . 17 1 1 A 106 106 ARG HA H 106 4.926 4.876 0.050 1
1 1291 . 17 1 1 A 106 106 ARG CB C 106 32.783 33.946 -1.163 1
1 1297 . 17 1 1 A 106 106 ARG C C 106 174.611 174.219 0.392 1
1 1301 . 17 1 1 A 107 107 LEU N N 107 128.498 125.143 3.355 1
1 1302 . 17 1 1 A 107 107 LEU H H 107 9.260 8.383 0.877 1
1 1303 . 17 1 1 A 107 107 LEU CA C 107 52.942 53.435 -0.493 1
1 1304 . 17 1 1 A 107 107 LEU HA H 107 5.110 4.930 0.180 1
1 1305 . 17 1 1 A 107 107 LEU CB C 107 45.279 45.737 -0.458 1
1 1317 . 17 1 1 A 107 107 LEU C C 107 175.494 175.135 0.359 1
1 1319 . 17 1 1 A 108 108 THR N N 108 114.947 115.171 -0.224 1
1 1320 . 17 1 1 A 108 108 THR H H 108 8.424 8.400 0.024 1
1 1321 . 17 1 1 A 108 108 THR CA C 108 59.201 60.388 -1.187 1
1 1322 . 17 1 1 A 108 108 THR HA H 108 5.344 5.179 0.165 1
1 1323 . 17 1 1 A 108 108 THR CB C 108 71.413 71.186 0.227 1
1 1329 . 17 1 1 A 108 108 THR C C 108 172.424 172.536 -0.112 1
1 1330 . 17 1 1 A 109 109 TYR N N 109 114.691 119.841 -5.150 1
1 1331 . 17 1 1 A 109 109 TYR H H 109 8.056 8.220 -0.164 1
1 1332 . 17 1 1 A 109 109 TYR CA C 109 57.133 56.047 1.086 1
1 1333 . 17 1 1 A 109 109 TYR HA H 109 4.769 5.170 -0.401 1
1 1334 . 17 1 1 A 109 109 TYR CB C 109 38.008 40.282 -2.274 1
1 1344 . 17 1 1 A 109 109 TYR C C 109 171.790 171.799 -0.009 1
1 1346 . 17 1 1 A 110 110 ASP N N 110 119.179 119.849 -0.670 1
1 1347 . 17 1 1 A 110 110 ASP H H 110 9.332 8.469 0.863 1
1 1348 . 17 1 1 A 110 110 ASP CA C 110 53.147 53.832 -0.685 1
1 1349 . 17 1 1 A 110 110 ASP HA H 110 5.855 5.824 0.031 1
1 1350 . 17 1 1 A 110 110 ASP CB C 110 42.179 42.480 -0.301 1
1 1352 . 17 1 1 A 110 110 ASP C C 110 176.257 174.923 1.334 1
1 1354 . 17 1 1 A 111 111 HIS N N 111 122.092 124.486 -2.394 1
1 1355 . 17 1 1 A 111 111 HIS H H 111 8.993 9.505 -0.512 1
1 1356 . 17 1 1 A 111 111 HIS CA C 111 55.365 55.597 -0.232 1
1 1357 . 17 1 1 A 111 111 HIS HA H 111 4.768 5.055 -0.287 1
1 1358 . 17 1 1 A 111 111 HIS CB C 111 36.414 33.069 3.345 1
1 1364 . 17 1 1 A 111 111 HIS C C 111 175.420 174.797 0.623 1
1 1366 . 17 1 1 A 112 112 PHE N N 112 129.361 126.940 2.421 1
1 1367 . 17 1 1 A 112 112 PHE H H 112 10.128 9.809 0.319 1
1 1368 . 17 1 1 A 112 112 PHE CA C 112 59.353 58.976 0.377 1
1 1369 . 17 1 1 A 112 112 PHE HA H 112 3.972 4.017 -0.045 1
1 1370 . 17 1 1 A 112 112 PHE CB C 112 36.136 36.574 -0.438 1
1 1382 . 17 1 1 A 112 112 PHE C C 112 175.288 175.113 0.175 1
1 1384 . 17 1 1 A 113 113 HIS N N 113 109.753 109.107 0.646 1
1 1385 . 17 1 1 A 113 113 HIS H H 113 8.856 8.348 0.508 1
1 1386 . 17 1 1 A 113 113 HIS CA C 113 57.593 56.843 0.750 1
1 1387 . 17 1 1 A 113 113 HIS HA H 113 4.168 4.202 -0.034 1
1 1388 . 17 1 1 A 113 113 HIS CB C 113 27.575 27.003 0.572 1
1 1394 . 17 1 1 A 113 113 HIS C C 113 174.146 173.834 0.312 1
1 1396 . 17 1 1 A 114 114 GLN N N 114 118.510 116.775 1.735 1
1 1397 . 17 1 1 A 114 114 GLN H H 114 7.930 7.771 0.159 1
1 1398 . 17 1 1 A 114 114 GLN CA C 114 54.303 54.434 -0.131 1
1 1399 . 17 1 1 A 114 114 GLN HA H 114 4.674 4.864 -0.190 1
1 1400 . 17 1 1 A 114 114 GLN CB C 114 31.548 33.291 -1.743 1
1 1407 . 17 1 1 A 114 114 GLN C C 114 174.702 174.899 -0.197 1
1 1410 . 17 1 1 A 115 115 SER N N 115 118.183 115.965 2.218 1
1 1411 . 17 1 1 A 115 115 SER H H 115 8.528 8.656 -0.128 1
1 1412 . 17 1 1 A 115 115 SER CA C 115 57.665 57.275 0.390 1
1 1413 . 17 1 1 A 115 115 SER HA H 115 5.112 4.977 0.135 1
1 1414 . 17 1 1 A 115 115 SER CB C 115 63.266 64.549 -1.283 1
1 1416 . 17 1 1 A 115 115 SER C C 115 174.157 173.847 0.310 1
1 1418 . 17 1 1 A 116 116 VAL N N 116 130.788 125.521 5.267 1
1 1419 . 17 1 1 A 116 116 VAL H H 116 9.445 9.200 0.245 1
1 1420 . 17 1 1 A 116 116 VAL CA C 116 62.375 61.361 1.014 1
1 1421 . 17 1 1 A 116 116 VAL HA H 116 3.870 4.869 -0.999 1
1 1422 . 17 1 1 A 116 116 VAL CB C 116 32.564 34.219 -1.655 1
1 1432 . 17 1 1 A 116 116 VAL C C 116 175.674 174.259 1.415 1
1 1433 . 17 1 1 A 117 117 GLN N N 117 127.278 128.846 -1.568 1
1 1434 . 17 1 1 A 117 117 GLN H H 117 8.612 9.068 -0.456 1
1 1435 . 17 1 1 A 117 117 GLN CA C 117 55.004 54.330 0.674 1
1 1436 . 17 1 1 A 117 117 GLN HA H 117 5.170 5.012 0.158 1
1 1437 . 17 1 1 A 117 117 GLN CB C 117 31.166 31.286 -0.120 1
1 1444 . 17 1 1 A 117 117 GLN C C 117 174.229 174.073 0.156 1
1 1447 . 17 1 1 A 118 118 GLU N N 118 125.633 126.015 -0.382 1
1 1448 . 17 1 1 A 118 118 GLU H H 118 8.960 8.828 0.132 1
1 1449 . 17 1 1 A 118 118 GLU CA C 118 54.799 54.901 -0.102 1
1 1450 . 17 1 1 A 118 118 GLU HA H 118 4.869 4.970 -0.101 1
1 1451 . 17 1 1 A 118 118 GLU CB C 118 33.675 31.634 2.041 1
1 1455 . 17 1 1 A 118 118 GLU C C 118 174.340 175.441 -1.101 1
1 1458 . 17 1 1 A 119 119 ILE N N 119 123.525 124.889 -1.364 1
1 1459 . 17 1 1 A 119 119 ILE H H 119 8.683 9.065 -0.382 1
1 1460 . 17 1 1 A 119 119 ILE CA C 119 60.005 60.111 -0.106 1
1 1461 . 17 1 1 A 119 119 ILE HA H 119 5.157 4.727 0.430 1
1 1462 . 17 1 1 A 119 119 ILE CB C 119 40.761 39.822 0.939 1
1 1474 . 17 1 1 A 119 119 ILE C C 119 175.386 175.439 -0.053 1
1 1476 . 17 1 1 A 120 120 PHE N N 120 122.954 123.708 -0.754 1
1 1477 . 17 1 1 A 120 120 PHE H H 120 8.647 8.244 0.403 1
1 1478 . 17 1 1 A 120 120 PHE CA C 120 55.754 55.143 0.611 1
1 1479 . 17 1 1 A 120 120 PHE HA H 120 5.064 5.487 -0.423 1
1 1480 . 17 1 1 A 120 120 PHE CB C 120 39.904 42.855 -2.951 1
1 1492 . 17 1 1 A 120 120 PHE C C 120 172.536 172.914 -0.378 1
1 1494 . 17 1 1 A 121 121 GLU N N 121 120.205 119.340 0.865 1
1 1495 . 17 1 1 A 121 121 GLU H H 121 8.807 8.803 0.004 1
1 1496 . 17 1 1 A 121 121 GLU CA C 121 54.976 54.876 0.100 1
1 1497 . 17 1 1 A 121 121 GLU HA H 121 4.795 4.941 -0.146 1
1 1498 . 17 1 1 A 121 121 GLU CB C 121 31.537 33.188 -1.651 1
1 1502 . 17 1 1 A 121 121 GLU C C 121 175.979 175.788 0.191 1
1 1505 . 17 1 1 A 122 122 VAL N N 122 124.567 124.715 -0.148 1
1 1506 . 17 1 1 A 122 122 VAL H H 122 8.818 8.821 -0.003 1
1 1507 . 17 1 1 A 122 122 VAL CA C 122 62.536 63.751 -1.215 1
1 1508 . 17 1 1 A 122 122 VAL HA H 122 4.300 4.121 0.179 1
1 1509 . 17 1 1 A 122 122 VAL CB C 122 32.136 31.989 0.147 1
1 1519 . 17 1 1 A 122 122 VAL C C 122 175.324 176.914 -1.590 1
1 1520 . 17 1 1 A 123 123 ASN N N 123 125.013 120.410 4.603 1
1 1521 . 17 1 1 A 123 123 ASN H H 123 8.770 8.735 0.035 1
1 1522 . 17 1 1 A 123 123 ASN CA C 123 52.889 53.175 -0.286 1
1 1523 . 17 1 1 A 123 123 ASN HA H 123 5.072 5.104 -0.032 1
1 1524 . 17 1 1 A 123 123 ASN CB C 123 40.114 40.745 -0.631 1
1 1529 . 17 1 1 A 123 123 ASN C C 123 174.799 175.238 -0.439 1
1 1531 . 17 1 1 A 124 124 ASN N N 124 117.247 117.332 -0.085 1
1 1532 . 17 1 1 A 124 124 ASN H H 124 8.599 8.077 0.522 1
1 1533 . 17 1 1 A 124 124 ASN CA C 124 52.853 52.185 0.668 1
1 1534 . 17 1 1 A 124 124 ASN HA H 124 4.721 4.832 -0.111 1
1 1535 . 17 1 1 A 124 124 ASN CB C 124 36.882 36.828 0.054 1
1 1540 . 17 1 1 A 124 124 ASN C C 124 174.437 175.001 -0.564 1
1 1542 . 17 1 1 A 125 125 LEU N N 125 119.273 122.098 -2.825 1
1 1543 . 17 1 1 A 125 125 LEU H H 125 8.105 7.229 0.876 1
1 1544 . 17 1 1 A 125 125 LEU CA C 125 53.787 53.544 0.243 1
1 1545 . 17 1 1 A 125 125 LEU HA H 125 4.187 4.541 -0.354 1
1 1546 . 17 1 1 A 125 125 LEU CB C 125 40.398 40.926 -0.528 1
1 1558 . 17 1 1 A 125 125 LEU C C 125 175.528 174.659 0.869 1
1 1560 . 17 1 1 A 126 126 PRO CA C 126 62.439 62.541 -0.102 1
1 1561 . 17 1 1 A 126 126 PRO HA H 126 4.519 4.505 0.014 1
1 1562 . 17 1 1 A 126 126 PRO CB C 126 31.210 32.347 -1.137 1
1 1568 . 17 1 1 A 126 126 PRO C C 126 179.073 176.950 2.123 1
1 1572 . 17 1 1 A 127 127 VAL N N 127 124.759 122.785 1.974 1
1 1573 . 17 1 1 A 127 127 VAL H H 127 8.794 8.798 -0.004 1
1 1574 . 17 1 1 A 127 127 VAL CA C 127 64.360 64.320 0.040 1
1 1575 . 17 1 1 A 127 127 VAL HA H 127 3.216 3.984 -0.768 1
1 1576 . 17 1 1 A 127 127 VAL CB C 127 30.825 32.006 -1.181 1
1 1586 . 17 1 1 A 127 127 VAL C C 127 176.789 177.295 -0.506 1
1 1587 . 17 1 1 A 128 128 GLU N N 128 119.892 122.497 -2.605 1
1 1588 . 17 1 1 A 128 128 GLU H H 128 9.460 7.981 1.479 1
1 1589 . 17 1 1 A 128 128 GLU CA C 128 59.216 59.412 -0.196 1
1 1590 . 17 1 1 A 128 128 GLU HA H 128 3.831 3.624 0.207 1
1 1591 . 17 1 1 A 128 128 GLU CB C 128 29.188 29.154 0.034 1
1 1595 . 17 1 1 A 128 128 GLU C C 128 177.624 178.576 -0.952 1
1 1598 . 17 1 1 A 129 129 SER N N 129 112.727 113.592 -0.865 1
1 1599 . 17 1 1 A 129 129 SER H H 129 8.057 8.070 -0.013 1
1 1600 . 17 1 1 A 129 129 SER CA C 129 61.024 61.381 -0.357 1
1 1601 . 17 1 1 A 129 129 SER HA H 129 3.925 4.146 -0.221 1
1 1602 . 17 1 1 A 129 129 SER CB C 129 64.440 62.352 2.088 1
1 1604 . 17 1 1 A 129 129 SER C C 129 173.147 176.467 -3.320 1
1 1606 . 17 1 1 A 130 130 TRP N N 130 117.092 119.953 -2.861 1
1 1607 . 17 1 1 A 130 130 TRP H H 130 7.184 7.940 -0.756 1
1 1608 . 17 1 1 A 130 130 TRP CA C 130 57.027 59.139 -2.112 1
1 1609 . 17 1 1 A 130 130 TRP HA H 130 4.974 4.547 0.427 1
1 1610 . 17 1 1 A 130 130 TRP CB C 130 31.384 29.619 1.765 1
1 1624 . 17 1 1 A 130 130 TRP C C 130 174.759 178.016 -3.257 1
1 1 . 18 1 1 A 6 6 SER CA C 6 58.371 61.862 -3.491 1
1 2 . 18 1 1 A 6 6 SER HA H 6 4.533 4.181 0.352 1
1 3 . 18 1 1 A 6 6 SER CB C 6 63.994 62.629 1.365 1
1 5 . 18 1 1 A 6 6 SER C C 6 174.472 175.511 -1.039 1
1 7 . 18 1 1 A 7 7 GLY N N 7 110.741 110.724 0.017 1
1 8 . 18 1 1 A 7 7 GLY H H 7 8.209 7.806 0.403 1
1 9 . 18 1 1 A 7 7 GLY CA C 7 44.501 43.999 0.502 1
1 10 . 18 1 1 A 7 7 GLY HA3 H 7 4.059 4.073 -0.014 1
1 11 . 18 1 1 A 7 7 GLY C C 7 171.084 172.634 -1.550 1
1 12 . 18 1 1 A 7 7 GLY HA2 H 7 4.155 4.072 0.083 1
1 13 . 18 1 1 A 8 8 PRO CA C 8 61.515 61.972 -0.457 1
1 14 . 18 1 1 A 8 8 PRO HA H 8 4.713 4.605 0.108 1
1 15 . 18 1 1 A 8 8 PRO CB C 8 30.760 31.853 -1.093 1
1 24 . 18 1 1 A 9 9 PRO HA H 9 4.724 4.567 0.157 1
1 30 . 18 1 1 A 10 10 PRO CA C 10 62.761 62.457 0.304 1
1 31 . 18 1 1 A 10 10 PRO HA H 10 4.389 4.675 -0.286 1
1 32 . 18 1 1 A 10 10 PRO CB C 10 32.082 33.181 -1.099 1
1 37 . 18 1 1 A 10 10 PRO C C 10 176.236 175.296 0.940 1
1 41 . 18 1 1 A 11 11 ALA N N 11 125.926 121.239 4.687 1
1 42 . 18 1 1 A 11 11 ALA H H 11 8.352 8.209 0.143 1
1 43 . 18 1 1 A 11 11 ALA CA C 11 50.343 49.374 0.969 1
1 44 . 18 1 1 A 11 11 ALA HA H 11 4.583 4.815 -0.232 1
1 45 . 18 1 1 A 11 11 ALA CB C 11 18.255 20.260 -2.005 1
1 49 . 18 1 1 A 11 11 ALA C C 11 175.479 175.099 0.380 1
1 50 . 18 1 1 A 12 12 PRO CA C 12 62.757 62.223 0.534 1
1 51 . 18 1 1 A 12 12 PRO HA H 12 4.386 4.588 -0.202 1
1 52 . 18 1 1 A 12 12 PRO CB C 12 32.104 33.058 -0.954 1
1 57 . 18 1 1 A 12 12 PRO C C 12 176.478 175.863 0.615 1
1 61 . 18 1 1 A 13 13 ILE N N 13 124.607 121.535 3.072 1
1 62 . 18 1 1 A 13 13 ILE H H 13 8.661 8.482 0.179 1
1 63 . 18 1 1 A 13 13 ILE CA C 13 59.081 59.245 -0.164 1
1 64 . 18 1 1 A 13 13 ILE HA H 13 4.288 4.408 -0.120 1
1 65 . 18 1 1 A 13 13 ILE CB C 13 39.710 37.993 1.717 1
1 77 . 18 1 1 A 13 13 ILE C C 13 174.727 174.796 -0.069 1
1 79 . 18 1 1 A 14 14 PRO CA C 14 63.433 62.315 1.118 1
1 80 . 18 1 1 A 14 14 PRO HA H 14 4.457 4.573 -0.116 1
1 81 . 18 1 1 A 14 14 PRO CB C 14 32.428 32.438 -0.010 1
1 86 . 18 1 1 A 14 14 PRO C C 14 175.380 176.515 -1.135 1
1 90 . 18 1 1 A 15 15 ASP N N 15 118.741 120.080 -1.339 1
1 91 . 18 1 1 A 15 15 ASP H H 15 8.042 8.517 -0.475 1
1 92 . 18 1 1 A 15 15 ASP CA C 15 54.213 53.603 0.610 1
1 93 . 18 1 1 A 15 15 ASP HA H 15 5.064 4.984 0.080 1
1 94 . 18 1 1 A 15 15 ASP CB C 15 41.793 41.584 0.209 1
1 96 . 18 1 1 A 15 15 ASP C C 15 176.413 175.666 0.747 1
1 98 . 18 1 1 A 16 16 LEU N N 16 121.451 121.236 0.215 1
1 99 . 18 1 1 A 16 16 LEU H H 16 9.016 8.773 0.243 1
1 100 . 18 1 1 A 16 16 LEU CA C 16 53.914 54.544 -0.630 1
1 101 . 18 1 1 A 16 16 LEU HA H 16 4.847 4.880 -0.033 1
1 102 . 18 1 1 A 16 16 LEU CB C 16 48.283 45.878 2.405 1
1 114 . 18 1 1 A 16 16 LEU C C 16 174.915 174.355 0.560 1
1 116 . 18 1 1 A 17 17 LYS N N 17 130.346 127.608 2.738 1
1 117 . 18 1 1 A 17 17 LYS H H 17 8.937 8.899 0.038 1
1 118 . 18 1 1 A 17 17 LYS CA C 17 57.027 57.149 -0.122 1
1 119 . 18 1 1 A 17 17 LYS HA H 17 4.821 4.394 0.427 1
1 120 . 18 1 1 A 17 17 LYS CB C 17 31.991 33.118 -1.127 1
1 128 . 18 1 1 A 17 17 LYS C C 17 177.744 176.344 1.400 1
1 133 . 18 1 1 A 18 18 VAL N N 18 116.605 121.393 -4.788 1
1 134 . 18 1 1 A 18 18 VAL H H 18 8.228 8.437 -0.209 1
1 135 . 18 1 1 A 18 18 VAL CA C 18 60.586 62.005 -1.419 1
1 136 . 18 1 1 A 18 18 VAL HA H 18 4.807 4.441 0.366 1
1 137 . 18 1 1 A 18 18 VAL CB C 18 33.601 33.958 -0.357 1
1 147 . 18 1 1 A 18 18 VAL C C 18 174.118 175.509 -1.391 1
1 148 . 18 1 1 A 19 19 PHE N N 19 120.586 121.194 -0.608 1
1 149 . 18 1 1 A 19 19 PHE H H 19 7.429 7.596 -0.167 1
1 150 . 18 1 1 A 19 19 PHE CA C 19 57.947 56.784 1.163 1
1 151 . 18 1 1 A 19 19 PHE HA H 19 4.544 4.528 0.016 1
1 152 . 18 1 1 A 19 19 PHE CB C 19 43.455 42.332 1.123 1
1 162 . 18 1 1 A 19 19 PHE C C 19 172.947 172.946 0.001 1
1 164 . 18 1 1 A 20 20 GLU N N 20 126.790 126.778 0.012 1
1 165 . 18 1 1 A 20 20 GLU H H 20 7.620 8.512 -0.892 1
1 166 . 18 1 1 A 20 20 GLU CA C 20 55.117 54.968 0.149 1
1 167 . 18 1 1 A 20 20 GLU HA H 20 5.059 4.728 0.331 1
1 168 . 18 1 1 A 20 20 GLU CB C 20 32.091 32.469 -0.378 1
1 172 . 18 1 1 A 20 20 GLU C C 20 174.073 173.733 0.340 1
1 175 . 18 1 1 A 21 21 ARG N N 21 125.153 128.369 -3.216 1
1 176 . 18 1 1 A 21 21 ARG H H 21 8.806 8.816 -0.010 1
1 177 . 18 1 1 A 21 21 ARG CA C 21 56.532 54.194 2.338 1
1 178 . 18 1 1 A 21 21 ARG HA H 21 4.234 4.604 -0.370 1
1 179 . 18 1 1 A 21 21 ARG CB C 21 33.707 33.203 0.504 1
1 185 . 18 1 1 A 21 21 ARG C C 21 176.293 177.338 -1.045 1
1 189 . 18 1 1 A 22 22 GLU N N 22 132.286 124.111 8.175 1
1 190 . 18 1 1 A 22 22 GLU H H 22 9.887 9.010 0.877 1
1 191 . 18 1 1 A 22 22 GLU CA C 22 57.271 58.575 -1.304 1
1 192 . 18 1 1 A 22 22 GLU HA H 22 3.968 4.124 -0.156 1
1 193 . 18 1 1 A 22 22 GLU CB C 22 28.595 29.050 -0.455 1
1 197 . 18 1 1 A 22 22 GLU C C 22 175.219 176.880 -1.661 1
1 200 . 18 1 1 A 23 23 GLY N N 23 103.445 107.850 -4.405 1
1 201 . 18 1 1 A 23 23 GLY H H 23 8.570 8.010 0.560 1
1 202 . 18 1 1 A 23 23 GLY CA C 23 45.698 46.275 -0.577 1
1 203 . 18 1 1 A 23 23 GLY HA3 H 23 4.242 4.256 -0.014 1
1 204 . 18 1 1 A 23 23 GLY C C 23 173.517 174.108 -0.591 1
1 205 . 18 1 1 A 23 23 GLY HA2 H 23 3.658 4.196 -0.538 1
1 206 . 18 1 1 A 24 24 VAL N N 24 124.489 118.903 5.586 1
1 207 . 18 1 1 A 24 24 VAL H H 24 8.016 7.500 0.516 1
1 208 . 18 1 1 A 24 24 VAL CA C 24 61.341 62.288 -0.947 1
1 209 . 18 1 1 A 24 24 VAL HA H 24 4.780 4.117 0.663 1
1 210 . 18 1 1 A 24 24 VAL CB C 24 32.051 32.739 -0.688 1
1 220 . 18 1 1 A 24 24 VAL C C 24 175.459 174.919 0.540 1
1 221 . 18 1 1 A 25 25 GLN N N 25 123.296 123.642 -0.346 1
1 222 . 18 1 1 A 25 25 GLN H H 25 8.446 8.428 0.018 1
1 223 . 18 1 1 A 25 25 GLN CA C 25 53.879 54.382 -0.503 1
1 224 . 18 1 1 A 25 25 GLN HA H 25 5.378 5.046 0.332 1
1 225 . 18 1 1 A 25 25 GLN CB C 25 33.065 33.093 -0.028 1
1 232 . 18 1 1 A 25 25 GLN C C 25 174.348 174.285 0.063 1
1 235 . 18 1 1 A 26 26 LEU N N 26 120.847 125.209 -4.362 1
1 236 . 18 1 1 A 26 26 LEU H H 26 8.579 9.134 -0.555 1
1 237 . 18 1 1 A 26 26 LEU CA C 26 53.914 53.841 0.073 1
1 238 . 18 1 1 A 26 26 LEU HA H 26 5.400 5.574 -0.174 1
1 239 . 18 1 1 A 26 26 LEU CB C 26 47.336 46.649 0.687 1
1 251 . 18 1 1 A 26 26 LEU C C 26 174.842 174.319 0.523 1
1 253 . 18 1 1 A 27 27 ASN N N 27 124.346 124.057 0.289 1
1 254 . 18 1 1 A 27 27 ASN H H 27 8.738 9.321 -0.583 1
1 255 . 18 1 1 A 27 27 ASN CA C 27 52.063 51.732 0.331 1
1 256 . 18 1 1 A 27 27 ASN HA H 27 5.542 5.489 0.053 1
1 257 . 18 1 1 A 27 27 ASN CB C 27 43.866 42.230 1.636 1
1 262 . 18 1 1 A 27 27 ASN C C 27 173.520 173.348 0.172 1
1 264 . 18 1 1 A 28 28 LEU N N 28 124.198 125.591 -1.393 1
1 265 . 18 1 1 A 28 28 LEU H H 28 9.406 8.943 0.463 1
1 266 . 18 1 1 A 28 28 LEU CA C 28 53.773 53.246 0.527 1
1 267 . 18 1 1 A 28 28 LEU HA H 28 4.995 5.226 -0.231 1
1 268 . 18 1 1 A 28 28 LEU CB C 28 44.307 45.070 -0.763 1
1 280 . 18 1 1 A 28 28 LEU C C 28 174.670 174.558 0.112 1
1 282 . 18 1 1 A 29 29 SER N N 29 115.017 123.691 -8.674 1
1 283 . 18 1 1 A 29 29 SER H H 29 8.314 8.783 -0.469 1
1 284 . 18 1 1 A 29 29 SER CA C 29 56.340 57.183 -0.843 1
1 285 . 18 1 1 A 29 29 SER HA H 29 4.807 5.147 -0.340 1
1 286 . 18 1 1 A 29 29 SER CB C 29 65.926 65.043 0.883 1
1 288 . 18 1 1 A 29 29 SER C C 29 172.842 173.484 -0.642 1
1 290 . 18 1 1 A 30 30 PHE N N 30 119.941 124.219 -4.278 1
1 291 . 18 1 1 A 30 30 PHE H H 30 9.366 9.051 0.315 1
1 292 . 18 1 1 A 30 30 PHE CA C 30 57.047 56.719 0.328 1
1 293 . 18 1 1 A 30 30 PHE HA H 30 5.374 5.206 0.168 1
1 294 . 18 1 1 A 30 30 PHE CB C 30 44.307 42.067 2.240 1
1 306 . 18 1 1 A 30 30 PHE C C 30 175.242 175.171 0.071 1
1 308 . 18 1 1 A 31 31 ILE N N 31 122.161 121.380 0.781 1
1 309 . 18 1 1 A 31 31 ILE H H 31 8.950 8.689 0.261 1
1 310 . 18 1 1 A 31 31 ILE CA C 31 60.680 60.639 0.041 1
1 311 . 18 1 1 A 31 31 ILE HA H 31 4.338 4.840 -0.502 1
1 312 . 18 1 1 A 31 31 ILE CB C 31 42.354 41.658 0.696 1
1 324 . 18 1 1 A 31 31 ILE C C 31 174.368 174.999 -0.631 1
1 326 . 18 1 1 A 32 32 ARG N N 32 128.976 127.496 1.480 1
1 327 . 18 1 1 A 32 32 ARG H H 32 8.773 8.946 -0.173 1
1 328 . 18 1 1 A 32 32 ARG CA C 32 51.444 52.466 -1.022 1
1 329 . 18 1 1 A 32 32 ARG HA H 32 5.263 4.841 0.422 1
1 330 . 18 1 1 A 32 32 ARG CB C 32 29.600 31.537 -1.937 1
1 338 . 18 1 1 A 32 32 ARG C C 32 173.585 173.883 -0.298 1
1 342 . 18 1 1 A 33 33 PRO CA C 33 60.759 61.860 -1.101 1
1 343 . 18 1 1 A 33 33 PRO HA H 33 4.581 4.704 -0.123 1
1 344 . 18 1 1 A 33 33 PRO CB C 33 32.219 32.488 -0.269 1
1 353 . 18 1 1 A 34 34 PRO CA C 34 64.464 65.240 -0.776 1
1 354 . 18 1 1 A 34 34 PRO HA H 34 4.236 4.228 0.008 1
1 355 . 18 1 1 A 34 34 PRO CB C 34 31.997 32.062 -0.065 1
1 361 . 18 1 1 A 34 34 PRO C C 34 178.240 178.556 -0.316 1
1 365 . 18 1 1 A 35 35 GLU N N 35 115.025 116.071 -1.046 1
1 366 . 18 1 1 A 35 35 GLU H H 35 9.287 8.877 0.410 1
1 367 . 18 1 1 A 35 35 GLU CA C 35 57.753 58.814 -1.061 1
1 368 . 18 1 1 A 35 35 GLU HA H 35 4.205 4.122 0.083 1
1 369 . 18 1 1 A 35 35 GLU CB C 35 28.595 28.868 -0.273 1
1 373 . 18 1 1 A 35 35 GLU C C 35 176.471 176.903 -0.432 1
1 376 . 18 1 1 A 36 36 ASN N N 36 114.302 118.013 -3.711 1
1 377 . 18 1 1 A 36 36 ASN H H 36 7.257 7.882 -0.625 1
1 378 . 18 1 1 A 36 36 ASN CA C 36 50.593 50.240 0.353 1
1 379 . 18 1 1 A 36 36 ASN HA H 36 5.024 5.196 -0.172 1
1 380 . 18 1 1 A 36 36 ASN CB C 36 39.094 38.981 0.113 1
1 385 . 18 1 1 A 36 36 ASN C C 36 172.128 173.556 -1.428 1
1 387 . 18 1 1 A 37 37 PRO CA C 37 64.287 64.983 -0.696 1
1 388 . 18 1 1 A 37 37 PRO HA H 37 4.600 4.306 0.294 1
1 389 . 18 1 1 A 37 37 PRO CB C 37 32.235 32.059 0.176 1
1 394 . 18 1 1 A 37 37 PRO C C 37 176.707 177.926 -1.219 1
1 398 . 18 1 1 A 38 38 ALA N N 38 117.780 117.972 -0.192 1
1 399 . 18 1 1 A 38 38 ALA H H 38 7.596 8.089 -0.493 1
1 400 . 18 1 1 A 38 38 ALA CA C 38 52.674 53.150 -0.476 1
1 401 . 18 1 1 A 38 38 ALA HA H 38 4.262 4.299 -0.037 1
1 402 . 18 1 1 A 38 38 ALA CB C 38 19.201 19.186 0.015 1
1 406 . 18 1 1 A 38 38 ALA C C 38 176.546 176.937 -0.391 1
1 407 . 18 1 1 A 39 39 LEU N N 39 122.870 121.101 1.769 1
1 408 . 18 1 1 A 39 39 LEU H H 39 7.963 7.163 0.800 1
1 409 . 18 1 1 A 39 39 LEU CA C 39 54.548 53.811 0.737 1
1 410 . 18 1 1 A 39 39 LEU HA H 39 4.953 5.077 -0.124 1
1 411 . 18 1 1 A 39 39 LEU CB C 39 44.768 44.614 0.154 1
1 423 . 18 1 1 A 39 39 LEU C C 39 173.627 175.246 -1.619 1
1 425 . 18 1 1 A 40 40 LEU N N 40 125.985 128.541 -2.556 1
1 426 . 18 1 1 A 40 40 LEU H H 40 9.247 8.898 0.349 1
1 427 . 18 1 1 A 40 40 LEU CA C 40 53.914 53.627 0.287 1
1 428 . 18 1 1 A 40 40 LEU HA H 40 5.018 5.125 -0.107 1
1 429 . 18 1 1 A 40 40 LEU CB C 40 45.014 44.631 0.383 1
1 441 . 18 1 1 A 40 40 LEU C C 40 174.170 174.879 -0.709 1
1 443 . 18 1 1 A 41 41 LEU N N 41 125.906 128.802 -2.896 1
1 444 . 18 1 1 A 41 41 LEU H H 41 9.224 9.373 -0.149 1
1 445 . 18 1 1 A 41 41 LEU CA C 41 53.190 54.222 -1.032 1
1 446 . 18 1 1 A 41 41 LEU HA H 41 5.222 4.841 0.381 1
1 447 . 18 1 1 A 41 41 LEU CB C 41 42.034 41.259 0.775 1
1 459 . 18 1 1 A 41 41 LEU C C 41 177.109 176.138 0.971 1
1 461 . 18 1 1 A 42 42 ILE N N 42 124.731 125.531 -0.800 1
1 462 . 18 1 1 A 42 42 ILE H H 42 9.087 8.712 0.375 1
1 463 . 18 1 1 A 42 42 ILE CA C 42 59.794 59.794 0.000 1
1 464 . 18 1 1 A 42 42 ILE HA H 42 5.055 4.942 0.113 1
1 465 . 18 1 1 A 42 42 ILE CB C 42 41.019 39.986 1.033 1
1 477 . 18 1 1 A 42 42 ILE C C 42 175.074 174.991 0.083 1
1 479 . 18 1 1 A 43 43 THR N N 43 123.315 123.485 -0.170 1
1 480 . 18 1 1 A 43 43 THR H H 43 8.589 9.055 -0.466 1
1 481 . 18 1 1 A 43 43 THR CA C 43 61.677 61.361 0.316 1
1 482 . 18 1 1 A 43 43 THR HA H 43 5.023 5.560 -0.537 1
1 483 . 18 1 1 A 43 43 THR CB C 43 69.838 71.955 -2.117 1
1 489 . 18 1 1 A 43 43 THR C C 43 174.993 173.633 1.360 1
1 490 . 18 1 1 A 44 44 ILE N N 44 126.677 124.928 1.749 1
1 491 . 18 1 1 A 44 44 ILE H H 44 9.329 9.008 0.321 1
1 492 . 18 1 1 A 44 44 ILE CA C 44 59.794 59.641 0.153 1
1 493 . 18 1 1 A 44 44 ILE HA H 44 4.953 5.186 -0.233 1
1 494 . 18 1 1 A 44 44 ILE CB C 44 38.754 41.340 -2.586 1
1 506 . 18 1 1 A 44 44 ILE C C 44 174.670 175.420 -0.750 1
1 508 . 18 1 1 A 45 45 THR N N 45 120.442 122.004 -1.562 1
1 509 . 18 1 1 A 45 45 THR H H 45 8.740 8.620 0.120 1
1 510 . 18 1 1 A 45 45 THR CA C 45 61.579 61.605 -0.026 1
1 511 . 18 1 1 A 45 45 THR HA H 45 5.266 4.992 0.274 1
1 512 . 18 1 1 A 45 45 THR CB C 45 70.338 71.107 -0.769 1
1 518 . 18 1 1 A 45 45 THR C C 45 174.494 173.067 1.427 1
1 519 . 18 1 1 A 46 46 ALA N N 46 134.267 130.436 3.831 1
1 520 . 18 1 1 A 46 46 ALA H H 46 9.489 8.428 1.061 1
1 521 . 18 1 1 A 46 46 ALA CA C 46 49.846 49.906 -0.060 1
1 522 . 18 1 1 A 46 46 ALA HA H 46 5.554 5.522 0.032 1
1 523 . 18 1 1 A 46 46 ALA CB C 46 20.414 20.601 -0.187 1
1 527 . 18 1 1 A 46 46 ALA C C 46 174.819 176.542 -1.723 1
1 528 . 18 1 1 A 47 47 THR N N 47 111.611 114.388 -2.777 1
1 529 . 18 1 1 A 47 47 THR H H 47 8.431 9.209 -0.778 1
1 530 . 18 1 1 A 47 47 THR CA C 47 59.331 59.822 -0.491 1
1 531 . 18 1 1 A 47 47 THR HA H 47 4.409 5.102 -0.693 1
1 532 . 18 1 1 A 47 47 THR CB C 47 71.655 70.962 0.693 1
1 538 . 18 1 1 A 47 47 THR C C 47 173.104 172.591 0.513 1
1 539 . 18 1 1 A 48 48 ASN N N 48 117.087 124.276 -7.189 1
1 540 . 18 1 1 A 48 48 ASN H H 48 8.647 8.593 0.054 1
1 541 . 18 1 1 A 48 48 ASN CA C 48 51.019 51.318 -0.299 1
1 542 . 18 1 1 A 48 48 ASN HA H 48 5.096 5.136 -0.040 1
1 543 . 18 1 1 A 48 48 ASN CB C 48 39.880 41.526 -1.646 1
1 548 . 18 1 1 A 48 48 ASN C C 48 173.769 174.625 -0.856 1
1 550 . 18 1 1 A 49 49 PHE N N 49 123.238 123.282 -0.044 1
1 551 . 18 1 1 A 49 49 PHE H H 49 9.105 8.258 0.847 1
1 552 . 18 1 1 A 49 49 PHE CA C 49 57.422 57.997 -0.575 1
1 553 . 18 1 1 A 49 49 PHE HA H 49 4.601 4.660 -0.059 1
1 554 . 18 1 1 A 49 49 PHE CB C 49 38.770 40.719 -1.949 1
1 566 . 18 1 1 A 49 49 PHE C C 49 176.238 175.528 0.710 1
1 568 . 18 1 1 A 50 50 SER N N 50 118.477 114.130 4.347 1
1 569 . 18 1 1 A 50 50 SER H H 50 8.344 7.708 0.636 1
1 570 . 18 1 1 A 50 50 SER CA C 50 58.654 58.059 0.595 1
1 571 . 18 1 1 A 50 50 SER HA H 50 4.933 4.553 0.380 1
1 572 . 18 1 1 A 50 50 SER CB C 50 66.611 65.394 1.217 1
1 573 . 18 1 1 A 50 50 SER C C 50 173.089 174.932 -1.843 1
1 574 . 18 1 1 A 51 51 GLU N N 51 114.036 120.042 -6.006 1
1 575 . 18 1 1 A 51 51 GLU H H 51 9.051 8.988 0.063 1
1 576 . 18 1 1 A 51 51 GLU CA C 51 56.701 59.048 -2.347 1
1 577 . 18 1 1 A 51 51 GLU HA H 51 4.358 4.371 -0.013 1
1 578 . 18 1 1 A 51 51 GLU CB C 51 30.323 30.546 -0.223 1
1 582 . 18 1 1 A 51 51 GLU C C 51 175.603 177.829 -2.226 1
1 585 . 18 1 1 A 52 52 GLY N N 52 109.625 107.575 2.050 1
1 586 . 18 1 1 A 52 52 GLY H H 52 8.525 7.499 1.026 1
1 587 . 18 1 1 A 52 52 GLY CA C 52 44.267 44.627 -0.360 1
1 588 . 18 1 1 A 52 52 GLY HA3 H 52 4.505 3.826 0.679 1
1 589 . 18 1 1 A 52 52 GLY C C 52 173.168 172.518 0.650 1
1 590 . 18 1 1 A 52 52 GLY HA2 H 52 2.842 3.302 -0.460 1
1 591 . 18 1 1 A 53 53 ASP N N 53 125.175 123.723 1.452 1
1 592 . 18 1 1 A 53 53 ASP H H 53 9.001 8.530 0.471 1
1 593 . 18 1 1 A 53 53 ASP CA C 53 55.793 54.751 1.042 1
1 594 . 18 1 1 A 53 53 ASP HA H 53 4.082 4.585 -0.503 1
1 595 . 18 1 1 A 53 53 ASP CB C 53 40.522 41.502 -0.980 1
1 597 . 18 1 1 A 53 53 ASP C C 53 176.506 175.840 0.666 1
1 599 . 18 1 1 A 54 54 VAL N N 54 125.250 121.209 4.041 1
1 600 . 18 1 1 A 54 54 VAL H H 54 7.873 7.856 0.017 1
1 601 . 18 1 1 A 54 54 VAL CA C 54 61.350 61.179 0.171 1
1 602 . 18 1 1 A 54 54 VAL HA H 54 4.759 4.721 0.038 1
1 603 . 18 1 1 A 54 54 VAL CB C 54 32.808 33.096 -0.288 1
1 613 . 18 1 1 A 54 54 VAL C C 54 176.126 175.345 0.781 1
1 614 . 18 1 1 A 55 55 THR N N 55 116.888 116.919 -0.031 1
1 615 . 18 1 1 A 55 55 THR H H 55 9.004 8.560 0.444 1
1 616 . 18 1 1 A 55 55 THR CA C 55 59.194 59.892 -0.698 1
1 617 . 18 1 1 A 55 55 THR HA H 55 4.920 4.799 0.121 1
1 618 . 18 1 1 A 55 55 THR CB C 55 72.508 71.698 0.810 1
1 624 . 18 1 1 A 55 55 THR C C 55 173.166 173.509 -0.343 1
1 625 . 18 1 1 A 56 56 HIS N N 56 115.667 116.758 -1.091 1
1 626 . 18 1 1 A 56 56 HIS H H 56 9.193 8.534 0.659 1
1 627 . 18 1 1 A 56 56 HIS CA C 56 56.363 57.087 -0.724 1
1 628 . 18 1 1 A 56 56 HIS HA H 56 4.153 4.064 0.089 1
1 629 . 18 1 1 A 56 56 HIS CB C 56 26.923 26.898 0.025 1
1 635 . 18 1 1 A 56 56 HIS C C 56 173.611 174.153 -0.542 1
1 637 . 18 1 1 A 57 57 PHE N N 57 118.625 118.948 -0.323 1
1 638 . 18 1 1 A 57 57 PHE H H 57 8.932 7.905 1.027 1
1 639 . 18 1 1 A 57 57 PHE CA C 57 59.503 59.860 -0.357 1
1 640 . 18 1 1 A 57 57 PHE HA H 57 4.819 4.441 0.378 1
1 641 . 18 1 1 A 57 57 PHE CB C 57 39.871 39.667 0.204 1
1 653 . 18 1 1 A 57 57 PHE C C 57 176.025 174.769 1.256 1
1 655 . 18 1 1 A 58 58 ILE N N 58 131.418 127.183 4.235 1
1 656 . 18 1 1 A 58 58 ILE H H 58 8.989 8.310 0.679 1
1 657 . 18 1 1 A 58 58 ILE CA C 58 61.138 59.383 1.755 1
1 658 . 18 1 1 A 58 58 ILE HA H 58 4.001 4.417 -0.416 1
1 659 . 18 1 1 A 58 58 ILE CB C 58 41.349 41.068 0.281 1
1 671 . 18 1 1 A 58 58 ILE C C 58 173.046 173.952 -0.906 1
1 673 . 18 1 1 A 59 59 CYS N N 59 126.838 127.561 -0.723 1
1 674 . 18 1 1 A 59 59 CYS H H 59 8.844 8.744 0.100 1
1 675 . 18 1 1 A 59 59 CYS CA C 59 56.902 57.091 -0.189 1
1 676 . 18 1 1 A 59 59 CYS HA H 59 5.044 4.930 0.114 1
1 677 . 18 1 1 A 59 59 CYS CB C 59 28.363 29.266 -0.903 1
1 679 . 18 1 1 A 59 59 CYS C C 59 173.375 173.254 0.121 1
1 681 . 18 1 1 A 60 60 GLN N N 60 126.903 126.874 0.029 1
1 682 . 18 1 1 A 60 60 GLN H H 60 8.929 8.655 0.274 1
1 683 . 18 1 1 A 60 60 GLN CA C 60 54.162 54.577 -0.415 1
1 684 . 18 1 1 A 60 60 GLN HA H 60 4.656 5.093 -0.437 1
1 685 . 18 1 1 A 60 60 GLN CB C 60 31.991 31.596 0.395 1
1 691 . 18 1 1 A 60 60 GLN C C 60 174.000 174.692 -0.692 1
1 694 . 18 1 1 A 61 61 ALA N N 61 124.049 121.477 2.572 1
1 695 . 18 1 1 A 61 61 ALA H H 61 8.178 8.616 -0.438 1
1 696 . 18 1 1 A 61 61 ALA CA C 61 50.160 51.257 -1.097 1
1 697 . 18 1 1 A 61 61 ALA HA H 61 5.192 5.241 -0.049 1
1 698 . 18 1 1 A 61 61 ALA CB C 61 23.419 23.931 -0.512 1
1 702 . 18 1 1 A 61 61 ALA C C 61 175.076 175.325 -0.249 1
1 703 . 18 1 1 A 62 62 ALA N N 62 121.362 120.729 0.633 1
1 704 . 18 1 1 A 62 62 ALA H H 62 8.488 8.510 -0.022 1
1 705 . 18 1 1 A 62 62 ALA CA C 62 51.309 51.445 -0.136 1
1 706 . 18 1 1 A 62 62 ALA HA H 62 4.667 5.118 -0.451 1
1 707 . 18 1 1 A 62 62 ALA CB C 62 22.617 23.162 -0.545 1
1 711 . 18 1 1 A 62 62 ALA C C 62 176.013 176.119 -0.106 1
1 712 . 18 1 1 A 63 63 VAL N N 63 113.572 114.610 -1.038 1
1 713 . 18 1 1 A 63 63 VAL H H 63 8.271 8.682 -0.411 1
1 714 . 18 1 1 A 63 63 VAL CA C 63 57.691 57.792 -0.101 1
1 715 . 18 1 1 A 63 63 VAL HA H 63 5.045 4.952 0.093 1
1 716 . 18 1 1 A 63 63 VAL CB C 63 32.968 34.420 -1.452 1
1 726 . 18 1 1 A 63 63 VAL C C 63 173.707 173.257 0.450 1
1 727 . 18 1 1 A 64 64 PRO CA C 64 62.757 62.498 0.259 1
1 728 . 18 1 1 A 64 64 PRO HA H 64 4.459 4.633 -0.174 1
1 729 . 18 1 1 A 64 64 PRO CB C 64 32.728 32.559 0.169 1
1 735 . 18 1 1 A 64 64 PRO C C 64 176.348 177.779 -1.431 1
1 739 . 18 1 1 A 65 65 LYS N N 65 118.624 123.849 -5.225 1
1 740 . 18 1 1 A 65 65 LYS H H 65 8.323 8.538 -0.215 1
1 741 . 18 1 1 A 65 65 LYS CA C 65 58.516 59.885 -1.369 1
1 742 . 18 1 1 A 65 65 LYS HA H 65 4.183 3.866 0.317 1
1 743 . 18 1 1 A 65 65 LYS CB C 65 32.320 32.145 0.175 1
1 751 . 18 1 1 A 65 65 LYS C C 65 176.595 178.624 -2.029 1
1 756 . 18 1 1 A 66 66 SER N N 66 111.762 116.230 -4.468 1
1 757 . 18 1 1 A 66 66 SER H H 66 7.779 8.033 -0.254 1
1 758 . 18 1 1 A 66 66 SER CA C 66 59.298 62.366 -3.068 1
1 759 . 18 1 1 A 66 66 SER HA H 66 4.234 4.136 0.098 1
1 760 . 18 1 1 A 66 66 SER CB C 66 62.984 62.876 0.108 1
1 762 . 18 1 1 A 66 66 SER C C 66 174.137 174.564 -0.427 1
1 764 . 18 1 1 A 67 67 LEU N N 67 124.569 118.615 5.954 1
1 765 . 18 1 1 A 67 67 LEU H H 67 8.109 8.205 -0.096 1
1 766 . 18 1 1 A 67 67 LEU CA C 67 54.940 53.051 1.889 1
1 767 . 18 1 1 A 67 67 LEU HA H 67 4.836 5.118 -0.282 1
1 768 . 18 1 1 A 67 67 LEU CB C 67 43.882 44.910 -1.028 1
1 780 . 18 1 1 A 67 67 LEU C C 67 174.925 175.514 -0.589 1
1 782 . 18 1 1 A 68 68 GLN N N 68 117.163 121.030 -3.867 1
1 783 . 18 1 1 A 68 68 GLN H H 68 8.063 8.845 -0.782 1
1 784 . 18 1 1 A 68 68 GLN CA C 68 54.829 54.183 0.646 1
1 785 . 18 1 1 A 68 68 GLN HA H 68 4.674 5.198 -0.524 1
1 786 . 18 1 1 A 68 68 GLN CB C 68 31.579 32.289 -0.710 1
1 793 . 18 1 1 A 68 68 GLN C C 68 174.077 173.902 0.175 1
1 796 . 18 1 1 A 69 69 LEU N N 69 126.046 124.054 1.992 1
1 797 . 18 1 1 A 69 69 LEU H H 69 8.676 8.865 -0.189 1
1 798 . 18 1 1 A 69 69 LEU CA C 69 54.073 53.943 0.130 1
1 799 . 18 1 1 A 69 69 LEU HA H 69 5.231 5.190 0.041 1
1 800 . 18 1 1 A 69 69 LEU CB C 69 45.602 46.359 -0.757 1
1 811 . 18 1 1 A 69 69 LEU C C 69 175.497 174.497 1.000 1
1 813 . 18 1 1 A 70 70 GLN N N 70 126.758 125.423 1.335 1
1 814 . 18 1 1 A 70 70 GLN H H 70 9.410 8.976 0.434 1
1 815 . 18 1 1 A 70 70 GLN CA C 70 54.657 54.577 0.080 1
1 816 . 18 1 1 A 70 70 GLN HA H 70 4.746 4.881 -0.135 1
1 817 . 18 1 1 A 70 70 GLN CB C 70 31.537 32.522 -0.985 1
1 824 . 18 1 1 A 70 70 GLN C C 70 174.686 174.335 0.351 1
1 827 . 18 1 1 A 71 71 LEU N N 71 126.413 128.293 -1.880 1
1 828 . 18 1 1 A 71 71 LEU H H 71 8.936 8.727 0.209 1
1 829 . 18 1 1 A 71 71 LEU CA C 71 55.294 54.482 0.812 1
1 830 . 18 1 1 A 71 71 LEU HA H 71 4.752 4.515 0.237 1
1 831 . 18 1 1 A 71 71 LEU CB C 71 43.898 42.947 0.951 1
1 843 . 18 1 1 A 71 71 LEU C C 71 176.498 175.433 1.065 1
1 845 . 18 1 1 A 72 72 GLN N N 72 121.553 127.516 -5.963 1
1 846 . 18 1 1 A 72 72 GLN H H 72 8.100 8.050 0.050 1
1 847 . 18 1 1 A 72 72 GLN CA C 72 54.209 55.244 -1.035 1
1 848 . 18 1 1 A 72 72 GLN HA H 72 4.589 4.386 0.203 1
1 849 . 18 1 1 A 72 72 GLN CB C 72 31.142 30.078 1.064 1
1 856 . 18 1 1 A 72 72 GLN C C 72 174.254 175.697 -1.443 1
1 859 . 18 1 1 A 73 73 ALA N N 73 124.262 128.260 -3.998 1
1 860 . 18 1 1 A 73 73 ALA H H 73 8.452 8.371 0.081 1
1 861 . 18 1 1 A 73 73 ALA CA C 73 51.211 50.616 0.595 1
1 862 . 18 1 1 A 73 73 ALA HA H 73 4.500 4.201 0.299 1
1 863 . 18 1 1 A 73 73 ALA CB C 73 17.185 19.525 -2.340 1
1 867 . 18 1 1 A 73 73 ALA C C 73 176.548 175.849 0.699 1
1 868 . 18 1 1 A 74 74 PRO CA C 74 62.160 62.332 -0.172 1
1 869 . 18 1 1 A 74 74 PRO HA H 74 4.848 4.588 0.260 1
1 870 . 18 1 1 A 74 74 PRO CB C 74 32.897 33.316 -0.419 1
1 874 . 18 1 1 A 74 74 PRO C C 74 177.266 176.368 0.898 1
1 878 . 18 1 1 A 75 75 SER N N 75 115.398 115.042 0.356 1
1 879 . 18 1 1 A 75 75 SER H H 75 9.293 8.908 0.385 1
1 880 . 18 1 1 A 75 75 SER CA C 75 61.024 60.141 0.883 1
1 881 . 18 1 1 A 75 75 SER HA H 75 4.154 4.430 -0.276 1
1 882 . 18 1 1 A 75 75 SER CB C 75 62.867 64.446 -1.579 1
1 884 . 18 1 1 A 75 75 SER C C 75 174.460 174.558 -0.098 1
1 886 . 18 1 1 A 76 76 GLY N N 76 106.233 105.269 0.964 1
1 887 . 18 1 1 A 76 76 GLY H H 76 7.208 7.370 -0.162 1
1 888 . 18 1 1 A 76 76 GLY CA C 76 44.930 45.710 -0.780 1
1 889 . 18 1 1 A 76 76 GLY HA3 H 76 4.306 4.061 0.245 1
1 890 . 18 1 1 A 76 76 GLY C C 76 171.327 172.977 -1.650 1
1 891 . 18 1 1 A 76 76 GLY HA2 H 76 4.095 4.060 0.035 1
1 892 . 18 1 1 A 77 77 ASN CA C 77 53.060 52.827 0.233 1
1 893 . 18 1 1 A 77 77 ASN HA H 77 5.001 5.095 -0.094 1
1 894 . 18 1 1 A 77 77 ASN CB C 77 40.650 39.415 1.235 1
1 899 . 18 1 1 A 77 77 ASN C C 77 173.427 173.583 -0.156 1
1 901 . 18 1 1 A 78 78 THR N N 78 114.705 114.913 -0.208 1
1 902 . 18 1 1 A 78 78 THR H H 78 7.579 7.555 0.024 1
1 903 . 18 1 1 A 78 78 THR CA C 78 59.766 61.304 -1.538 1
1 904 . 18 1 1 A 78 78 THR HA H 78 5.174 5.109 0.065 1
1 905 . 18 1 1 A 78 78 THR CB C 78 71.855 72.631 -0.776 1
1 911 . 18 1 1 A 78 78 THR C C 78 173.138 173.157 -0.019 1
1 912 . 18 1 1 A 79 79 VAL N N 79 123.606 125.282 -1.676 1
1 913 . 18 1 1 A 79 79 VAL H H 79 8.696 9.250 -0.554 1
1 914 . 18 1 1 A 79 79 VAL CA C 79 58.982 58.839 0.143 1
1 915 . 18 1 1 A 79 79 VAL HA H 79 4.495 4.460 0.035 1
1 916 . 18 1 1 A 79 79 VAL CB C 79 32.717 35.384 -2.667 1
1 926 . 18 1 1 A 79 79 VAL C C 79 174.289 173.863 0.426 1
1 927 . 18 1 1 A 80 80 PRO CA C 80 63.184 62.362 0.822 1
1 928 . 18 1 1 A 80 80 PRO HA H 80 4.160 4.654 -0.494 1
1 929 . 18 1 1 A 80 80 PRO CB C 80 33.128 32.187 0.941 1
1 935 . 18 1 1 A 80 80 PRO C C 80 174.009 177.409 -3.400 1
1 939 . 18 1 1 A 81 81 ALA N N 81 120.000 126.427 -6.427 1
1 940 . 18 1 1 A 81 81 ALA H H 81 8.371 8.372 -0.001 1
1 941 . 18 1 1 A 81 81 ALA CA C 81 51.951 53.202 -1.251 1
1 942 . 18 1 1 A 81 81 ALA HA H 81 3.715 4.205 -0.490 1
1 943 . 18 1 1 A 81 81 ALA CB C 81 20.029 18.913 1.116 1
1 947 . 18 1 1 A 81 81 ALA C C 81 176.740 177.671 -0.931 1
1 948 . 18 1 1 A 82 82 ARG N N 82 111.901 118.150 -6.249 1
1 949 . 18 1 1 A 82 82 ARG H H 82 8.724 7.638 1.086 1
1 950 . 18 1 1 A 82 82 ARG CA C 82 57.062 55.047 2.015 1
1 951 . 18 1 1 A 82 82 ARG HA H 82 3.665 4.544 -0.879 1
1 952 . 18 1 1 A 82 82 ARG CB C 82 26.959 30.565 -3.606 1
1 958 . 18 1 1 A 82 82 ARG C C 82 176.777 175.728 1.049 1
1 962 . 18 1 1 A 83 83 GLY N N 83 107.610 108.956 -1.346 1
1 963 . 18 1 1 A 83 83 GLY H H 83 9.251 7.473 1.778 1
1 964 . 18 1 1 A 83 83 GLY CA C 83 46.389 46.674 -0.285 1
1 965 . 18 1 1 A 83 83 GLY HA3 H 83 3.731 3.786 -0.055 1
1 966 . 18 1 1 A 83 83 GLY C C 83 176.193 175.208 0.985 1
1 967 . 18 1 1 A 83 83 GLY HA2 H 83 3.352 3.430 -0.078 1
1 968 . 18 1 1 A 84 84 GLY N N 84 106.030 107.351 -1.321 1
1 969 . 18 1 1 A 84 84 GLY H H 84 7.015 7.950 -0.935 1
1 970 . 18 1 1 A 84 84 GLY CA C 84 45.272 45.806 -0.534 1
1 971 . 18 1 1 A 84 84 GLY HA3 H 84 3.537 3.729 -0.192 1
1 972 . 18 1 1 A 84 84 GLY C C 84 171.651 174.024 -2.373 1
1 973 . 18 1 1 A 84 84 GLY HA2 H 84 3.891 3.710 0.181 1
1 974 . 18 1 1 A 85 85 LEU N N 85 120.524 121.548 -1.024 1
1 975 . 18 1 1 A 85 85 LEU H H 85 7.903 8.032 -0.129 1
1 976 . 18 1 1 A 85 85 LEU CA C 85 53.494 50.912 2.582 1
1 977 . 18 1 1 A 85 85 LEU HA H 85 4.346 4.876 -0.530 1
1 978 . 18 1 1 A 85 85 LEU CB C 85 42.901 44.983 -2.082 1
1 990 . 18 1 1 A 85 85 LEU C C 85 174.362 174.831 -0.469 1
1 992 . 18 1 1 A 86 86 PRO CA C 86 62.752 62.355 0.397 1
1 993 . 18 1 1 A 86 86 PRO HA H 86 4.570 4.701 -0.131 1
1 994 . 18 1 1 A 86 86 PRO CB C 86 33.557 32.254 1.303 1
1 1000 . 18 1 1 A 86 86 PRO C C 86 178.338 175.906 2.432 1
1 1004 . 18 1 1 A 87 87 ILE N N 87 118.504 122.538 -4.034 1
1 1005 . 18 1 1 A 87 87 ILE H H 87 7.544 8.425 -0.881 1
1 1006 . 18 1 1 A 87 87 ILE CA C 87 60.571 60.857 -0.286 1
1 1007 . 18 1 1 A 87 87 ILE HA H 87 4.021 4.492 -0.471 1
1 1008 . 18 1 1 A 87 87 ILE CB C 87 40.787 38.356 2.431 1
1 1020 . 18 1 1 A 87 87 ILE C C 87 175.620 175.861 -0.241 1
1 1022 . 18 1 1 A 88 88 THR N N 88 115.839 118.479 -2.640 1
1 1023 . 18 1 1 A 88 88 THR H H 88 8.788 9.056 -0.268 1
1 1024 . 18 1 1 A 88 88 THR CA C 88 58.935 60.307 -1.372 1
1 1025 . 18 1 1 A 88 88 THR HA H 88 5.678 5.808 -0.130 1
1 1026 . 18 1 1 A 88 88 THR CB C 88 72.532 71.481 1.051 1
1 1032 . 18 1 1 A 88 88 THR C C 88 174.318 172.848 1.470 1
1 1033 . 18 1 1 A 89 89 GLN N N 89 121.295 123.318 -2.023 1
1 1034 . 18 1 1 A 89 89 GLN H H 89 8.399 9.089 -0.690 1
1 1035 . 18 1 1 A 89 89 GLN CA C 89 56.259 53.831 2.428 1
1 1036 . 18 1 1 A 89 89 GLN HA H 89 4.528 4.948 -0.420 1
1 1037 . 18 1 1 A 89 89 GLN CB C 89 30.760 32.463 -1.703 1
1 1044 . 18 1 1 A 89 89 GLN C C 89 172.439 173.053 -0.614 1
1 1047 . 18 1 1 A 90 90 LEU N N 90 129.715 125.524 4.191 1
1 1048 . 18 1 1 A 90 90 LEU H H 90 8.426 8.395 0.031 1
1 1049 . 18 1 1 A 90 90 LEU CA C 90 54.513 52.966 1.547 1
1 1050 . 18 1 1 A 90 90 LEU HA H 90 5.103 5.251 -0.148 1
1 1051 . 18 1 1 A 90 90 LEU CB C 90 44.412 45.187 -0.775 1
1 1063 . 18 1 1 A 90 90 LEU C C 90 175.027 173.965 1.062 1
1 1065 . 18 1 1 A 91 91 PHE N N 91 123.227 124.100 -0.873 1
1 1066 . 18 1 1 A 91 91 PHE H H 91 9.647 9.235 0.412 1
1 1067 . 18 1 1 A 91 91 PHE CA C 91 55.327 56.329 -1.002 1
1 1068 . 18 1 1 A 91 91 PHE HA H 91 5.064 5.320 -0.256 1
1 1069 . 18 1 1 A 91 91 PHE CB C 91 40.899 41.660 -0.761 1
1 1081 . 18 1 1 A 91 91 PHE C C 91 174.296 174.851 -0.555 1
1 1083 . 18 1 1 A 92 92 ARG N N 92 121.174 124.115 -2.941 1
1 1084 . 18 1 1 A 92 92 ARG H H 92 8.726 8.923 -0.197 1
1 1085 . 18 1 1 A 92 92 ARG CA C 92 55.046 56.021 -0.975 1
1 1086 . 18 1 1 A 92 92 ARG HA H 92 5.109 4.763 0.346 1
1 1087 . 18 1 1 A 92 92 ARG CB C 92 32.524 30.960 1.564 1
1 1093 . 18 1 1 A 92 92 ARG C C 92 175.154 175.115 0.039 1
1 1097 . 18 1 1 A 93 93 ILE N N 93 126.629 125.259 1.370 1
1 1098 . 18 1 1 A 93 93 ILE H H 93 9.599 9.227 0.372 1
1 1099 . 18 1 1 A 93 93 ILE CA C 93 59.538 59.814 -0.276 1
1 1100 . 18 1 1 A 93 93 ILE HA H 93 5.206 5.344 -0.138 1
1 1101 . 18 1 1 A 93 93 ILE CB C 93 40.963 41.311 -0.348 1
1 1113 . 18 1 1 A 93 93 ILE C C 93 174.400 175.321 -0.921 1
1 1115 . 18 1 1 A 94 94 LEU N N 94 127.940 126.183 1.757 1
1 1116 . 18 1 1 A 94 94 LEU H H 94 8.853 8.907 -0.054 1
1 1117 . 18 1 1 A 94 94 LEU CA C 94 53.673 53.098 0.575 1
1 1118 . 18 1 1 A 94 94 LEU HA H 94 5.152 5.299 -0.147 1
1 1119 . 18 1 1 A 94 94 LEU CB C 94 44.245 44.492 -0.247 1
1 1131 . 18 1 1 A 94 94 LEU C C 94 176.106 175.989 0.117 1
1 1133 . 18 1 1 A 95 95 ASN N N 95 119.567 122.371 -2.804 1
1 1134 . 18 1 1 A 95 95 ASN H H 95 9.271 9.016 0.255 1
1 1135 . 18 1 1 A 95 95 ASN CA C 95 49.634 50.753 -1.119 1
1 1136 . 18 1 1 A 95 95 ASN HA H 95 5.361 5.277 0.084 1
1 1137 . 18 1 1 A 95 95 ASN CB C 95 39.189 39.183 0.006 1
1 1142 . 18 1 1 A 95 95 ASN C C 95 173.779 173.904 -0.125 1
1 1144 . 18 1 1 A 96 96 PRO CA C 96 64.795 64.417 0.378 1
1 1145 . 18 1 1 A 96 96 PRO HA H 96 4.306 4.484 -0.178 1
1 1146 . 18 1 1 A 96 96 PRO CB C 96 32.010 31.885 0.125 1
1 1152 . 18 1 1 A 96 96 PRO C C 96 177.656 177.439 0.217 1
1 1156 . 18 1 1 A 97 97 ASN N N 97 114.343 114.510 -0.167 1
1 1157 . 18 1 1 A 97 97 ASN H H 97 8.840 7.822 1.018 1
1 1158 . 18 1 1 A 97 97 ASN CA C 97 52.889 52.735 0.154 1
1 1159 . 18 1 1 A 97 97 ASN HA H 97 4.828 4.822 0.006 1
1 1160 . 18 1 1 A 97 97 ASN CB C 97 38.085 38.620 -0.535 1
1 1165 . 18 1 1 A 97 97 ASN C C 97 174.361 174.402 -0.041 1
1 1167 . 18 1 1 A 98 98 LYS N N 98 118.175 115.826 2.349 1
1 1168 . 18 1 1 A 98 98 LYS H H 98 7.735 7.596 0.139 1
1 1169 . 18 1 1 A 98 98 LYS CA C 98 57.625 57.394 0.231 1
1 1170 . 18 1 1 A 98 98 LYS HA H 98 3.780 3.893 -0.113 1
1 1171 . 18 1 1 A 98 98 LYS CB C 98 29.343 29.281 0.062 1
1 1179 . 18 1 1 A 98 98 LYS C C 98 174.779 174.858 -0.079 1
1 1184 . 18 1 1 A 99 99 ALA N N 99 122.321 121.252 1.069 1
1 1185 . 18 1 1 A 99 99 ALA H H 99 8.454 7.818 0.636 1
1 1186 . 18 1 1 A 99 99 ALA CA C 99 49.893 48.920 0.973 1
1 1187 . 18 1 1 A 99 99 ALA HA H 99 4.415 4.641 -0.226 1
1 1188 . 18 1 1 A 99 99 ALA CB C 99 18.125 20.214 -2.089 1
1 1192 . 18 1 1 A 99 99 ALA C C 99 175.018 176.315 -1.297 1
1 1193 . 18 1 1 A 100 100 PRO CA C 100 62.082 62.173 -0.091 1
1 1194 . 18 1 1 A 100 100 PRO CB C 100 31.068 29.028 2.040 1
1 1203 . 18 1 1 A 101 101 LEU H H 101 5.223 8.255 -3.032 1
1 1204 . 18 1 1 A 101 101 LEU CA C 101 55.181 53.862 1.319 1
1 1205 . 18 1 1 A 101 101 LEU HA H 101 3.758 4.666 -0.908 1
1 1206 . 18 1 1 A 101 101 LEU CB C 101 43.103 42.369 0.734 1
1 1218 . 18 1 1 A 101 101 LEU C C 101 174.350 176.459 -2.109 1
1 1220 . 18 1 1 A 102 102 ARG N N 102 122.304 121.592 0.712 1
1 1221 . 18 1 1 A 102 102 ARG H H 102 6.412 8.511 -2.099 1
1 1222 . 18 1 1 A 102 102 ARG CA C 102 54.659 54.307 0.352 1
1 1223 . 18 1 1 A 102 102 ARG HA H 102 4.500 5.156 -0.656 1
1 1224 . 18 1 1 A 102 102 ARG CB C 102 33.168 33.264 -0.096 1
1 1230 . 18 1 1 A 102 102 ARG C C 102 173.625 173.946 -0.321 1
1 1234 . 18 1 1 A 103 103 LEU N N 103 119.849 124.553 -4.704 1
1 1235 . 18 1 1 A 103 103 LEU H H 103 8.301 8.785 -0.484 1
1 1236 . 18 1 1 A 103 103 LEU CA C 103 53.667 53.614 0.053 1
1 1237 . 18 1 1 A 103 103 LEU HA H 103 4.886 5.138 -0.252 1
1 1238 . 18 1 1 A 103 103 LEU CB C 103 47.097 46.204 0.893 1
1 1250 . 18 1 1 A 103 103 LEU C C 103 173.874 173.715 0.159 1
1 1252 . 18 1 1 A 104 104 LYS N N 104 126.165 128.150 -1.985 1
1 1253 . 18 1 1 A 104 104 LYS H H 104 8.516 9.091 -0.575 1
1 1254 . 18 1 1 A 104 104 LYS CA C 104 55.117 54.803 0.314 1
1 1255 . 18 1 1 A 104 104 LYS HA H 104 4.773 5.101 -0.328 1
1 1256 . 18 1 1 A 104 104 LYS CB C 104 34.581 34.625 -0.044 1
1 1264 . 18 1 1 A 104 104 LYS C C 104 174.980 174.956 0.024 1
1 1269 . 18 1 1 A 105 105 LEU N N 105 125.172 127.412 -2.240 1
1 1270 . 18 1 1 A 105 105 LEU H H 105 8.586 8.875 -0.289 1
1 1271 . 18 1 1 A 105 105 LEU CA C 105 53.059 53.323 -0.264 1
1 1272 . 18 1 1 A 105 105 LEU HA H 105 4.923 4.853 0.070 1
1 1273 . 18 1 1 A 105 105 LEU CB C 105 44.358 43.594 0.764 1
1 1285 . 18 1 1 A 105 105 LEU C C 105 174.037 174.720 -0.683 1
1 1287 . 18 1 1 A 106 106 ARG N N 106 119.880 126.320 -6.440 1
1 1288 . 18 1 1 A 106 106 ARG H H 106 8.363 9.246 -0.883 1
1 1289 . 18 1 1 A 106 106 ARG CA C 106 54.374 54.414 -0.040 1
1 1290 . 18 1 1 A 106 106 ARG HA H 106 4.926 4.780 0.146 1
1 1291 . 18 1 1 A 106 106 ARG CB C 106 32.783 33.318 -0.535 1
1 1297 . 18 1 1 A 106 106 ARG C C 106 174.611 174.318 0.293 1
1 1301 . 18 1 1 A 107 107 LEU N N 107 128.498 127.099 1.399 1
1 1302 . 18 1 1 A 107 107 LEU H H 107 9.260 9.025 0.235 1
1 1303 . 18 1 1 A 107 107 LEU CA C 107 52.942 53.489 -0.547 1
1 1304 . 18 1 1 A 107 107 LEU HA H 107 5.110 5.267 -0.157 1
1 1305 . 18 1 1 A 107 107 LEU CB C 107 45.279 44.892 0.387 1
1 1317 . 18 1 1 A 107 107 LEU C C 107 175.494 176.029 -0.535 1
1 1319 . 18 1 1 A 108 108 THR N N 108 114.947 115.453 -0.506 1
1 1320 . 18 1 1 A 108 108 THR H H 108 8.424 8.622 -0.198 1
1 1321 . 18 1 1 A 108 108 THR CA C 108 59.201 60.486 -1.285 1
1 1322 . 18 1 1 A 108 108 THR HA H 108 5.344 5.381 -0.037 1
1 1323 . 18 1 1 A 108 108 THR CB C 108 71.413 71.257 0.156 1
1 1329 . 18 1 1 A 108 108 THR C C 108 172.424 172.928 -0.504 1
1 1330 . 18 1 1 A 109 109 TYR N N 109 114.691 119.927 -5.236 1
1 1331 . 18 1 1 A 109 109 TYR H H 109 8.056 8.322 -0.266 1
1 1332 . 18 1 1 A 109 109 TYR CA C 109 57.133 56.048 1.085 1
1 1333 . 18 1 1 A 109 109 TYR HA H 109 4.769 5.272 -0.503 1
1 1334 . 18 1 1 A 109 109 TYR CB C 109 38.008 40.509 -2.501 1
1 1344 . 18 1 1 A 109 109 TYR C C 109 171.790 171.907 -0.117 1
1 1346 . 18 1 1 A 110 110 ASP N N 110 119.179 120.652 -1.473 1
1 1347 . 18 1 1 A 110 110 ASP H H 110 9.332 8.996 0.336 1
1 1348 . 18 1 1 A 110 110 ASP CA C 110 53.147 53.114 0.033 1
1 1349 . 18 1 1 A 110 110 ASP HA H 110 5.855 5.585 0.270 1
1 1350 . 18 1 1 A 110 110 ASP CB C 110 42.179 44.642 -2.463 1
1 1352 . 18 1 1 A 110 110 ASP C C 110 176.257 174.563 1.694 1
1 1354 . 18 1 1 A 111 111 HIS N N 111 122.092 125.334 -3.242 1
1 1355 . 18 1 1 A 111 111 HIS H H 111 8.993 9.142 -0.149 1
1 1356 . 18 1 1 A 111 111 HIS CA C 111 55.365 55.844 -0.479 1
1 1357 . 18 1 1 A 111 111 HIS HA H 111 4.768 4.874 -0.106 1
1 1358 . 18 1 1 A 111 111 HIS CB C 111 36.414 33.562 2.852 1
1 1364 . 18 1 1 A 111 111 HIS C C 111 175.420 174.377 1.043 1
1 1366 . 18 1 1 A 112 112 PHE N N 112 129.361 124.103 5.258 1
1 1367 . 18 1 1 A 112 112 PHE H H 112 10.128 9.058 1.070 1
1 1368 . 18 1 1 A 112 112 PHE CA C 112 59.353 58.549 0.804 1
1 1369 . 18 1 1 A 112 112 PHE HA H 112 3.972 3.844 0.128 1
1 1370 . 18 1 1 A 112 112 PHE CB C 112 36.136 36.693 -0.557 1
1 1382 . 18 1 1 A 112 112 PHE C C 112 175.288 174.958 0.330 1
1 1384 . 18 1 1 A 113 113 HIS N N 113 109.753 109.128 0.625 1
1 1385 . 18 1 1 A 113 113 HIS H H 113 8.856 8.236 0.620 1
1 1386 . 18 1 1 A 113 113 HIS CA C 113 57.593 56.681 0.912 1
1 1387 . 18 1 1 A 113 113 HIS HA H 113 4.168 4.159 0.009 1
1 1388 . 18 1 1 A 113 113 HIS CB C 113 27.575 26.950 0.625 1
1 1394 . 18 1 1 A 113 113 HIS C C 113 174.146 173.570 0.576 1
1 1396 . 18 1 1 A 114 114 GLN N N 114 118.510 118.021 0.489 1
1 1397 . 18 1 1 A 114 114 GLN H H 114 7.930 8.007 -0.077 1
1 1398 . 18 1 1 A 114 114 GLN CA C 114 54.303 55.378 -1.075 1
1 1399 . 18 1 1 A 114 114 GLN HA H 114 4.674 4.765 -0.091 1
1 1400 . 18 1 1 A 114 114 GLN CB C 114 31.548 32.702 -1.154 1
1 1407 . 18 1 1 A 114 114 GLN C C 114 174.702 174.042 0.660 1
1 1410 . 18 1 1 A 115 115 SER N N 115 118.183 119.084 -0.901 1
1 1411 . 18 1 1 A 115 115 SER H H 115 8.528 8.686 -0.158 1
1 1412 . 18 1 1 A 115 115 SER CA C 115 57.665 57.568 0.097 1
1 1413 . 18 1 1 A 115 115 SER HA H 115 5.112 4.798 0.314 1
1 1414 . 18 1 1 A 115 115 SER CB C 115 63.266 63.900 -0.634 1
1 1416 . 18 1 1 A 115 115 SER C C 115 174.157 173.754 0.403 1
1 1418 . 18 1 1 A 116 116 VAL N N 116 130.788 125.818 4.970 1
1 1419 . 18 1 1 A 116 116 VAL H H 116 9.445 8.783 0.662 1
1 1420 . 18 1 1 A 116 116 VAL CA C 116 62.375 61.188 1.187 1
1 1421 . 18 1 1 A 116 116 VAL HA H 116 3.870 4.616 -0.746 1
1 1422 . 18 1 1 A 116 116 VAL CB C 116 32.564 32.648 -0.084 1
1 1432 . 18 1 1 A 116 116 VAL C C 116 175.674 173.999 1.675 1
1 1433 . 18 1 1 A 117 117 GLN N N 117 127.278 129.294 -2.016 1
1 1434 . 18 1 1 A 117 117 GLN H H 117 8.612 9.049 -0.437 1
1 1435 . 18 1 1 A 117 117 GLN CA C 117 55.004 54.390 0.614 1
1 1436 . 18 1 1 A 117 117 GLN HA H 117 5.170 5.013 0.157 1
1 1437 . 18 1 1 A 117 117 GLN CB C 117 31.166 31.326 -0.160 1
1 1444 . 18 1 1 A 117 117 GLN C C 117 174.229 174.142 0.087 1
1 1447 . 18 1 1 A 118 118 GLU N N 118 125.633 126.098 -0.465 1
1 1448 . 18 1 1 A 118 118 GLU H H 118 8.960 8.942 0.018 1
1 1449 . 18 1 1 A 118 118 GLU CA C 118 54.799 54.763 0.036 1
1 1450 . 18 1 1 A 118 118 GLU HA H 118 4.869 5.058 -0.189 1
1 1451 . 18 1 1 A 118 118 GLU CB C 118 33.675 32.260 1.415 1
1 1455 . 18 1 1 A 118 118 GLU C C 118 174.340 175.379 -1.039 1
1 1458 . 18 1 1 A 119 119 ILE N N 119 123.525 124.396 -0.871 1
1 1459 . 18 1 1 A 119 119 ILE H H 119 8.683 8.969 -0.286 1
1 1460 . 18 1 1 A 119 119 ILE CA C 119 60.005 60.304 -0.299 1
1 1461 . 18 1 1 A 119 119 ILE HA H 119 5.157 4.636 0.521 1
1 1462 . 18 1 1 A 119 119 ILE CB C 119 40.761 39.740 1.021 1
1 1474 . 18 1 1 A 119 119 ILE C C 119 175.386 175.082 0.304 1
1 1476 . 18 1 1 A 120 120 PHE N N 120 122.954 123.714 -0.760 1
1 1477 . 18 1 1 A 120 120 PHE H H 120 8.647 8.205 0.442 1
1 1478 . 18 1 1 A 120 120 PHE CA C 120 55.754 55.024 0.730 1
1 1479 . 18 1 1 A 120 120 PHE HA H 120 5.064 5.603 -0.539 1
1 1480 . 18 1 1 A 120 120 PHE CB C 120 39.904 42.961 -3.057 1
1 1492 . 18 1 1 A 120 120 PHE C C 120 172.536 172.908 -0.372 1
1 1494 . 18 1 1 A 121 121 GLU N N 121 120.205 119.556 0.649 1
1 1495 . 18 1 1 A 121 121 GLU H H 121 8.807 8.759 0.048 1
1 1496 . 18 1 1 A 121 121 GLU CA C 121 54.976 55.025 -0.049 1
1 1497 . 18 1 1 A 121 121 GLU HA H 121 4.795 4.963 -0.168 1
1 1498 . 18 1 1 A 121 121 GLU CB C 121 31.537 32.912 -1.375 1
1 1502 . 18 1 1 A 121 121 GLU C C 121 175.979 176.149 -0.170 1
1 1505 . 18 1 1 A 122 122 VAL N N 122 124.567 124.867 -0.300 1
1 1506 . 18 1 1 A 122 122 VAL H H 122 8.818 9.173 -0.355 1
1 1507 . 18 1 1 A 122 122 VAL CA C 122 62.536 63.482 -0.946 1
1 1508 . 18 1 1 A 122 122 VAL HA H 122 4.300 4.126 0.174 1
1 1509 . 18 1 1 A 122 122 VAL CB C 122 32.136 31.153 0.983 1
1 1519 . 18 1 1 A 122 122 VAL C C 122 175.324 176.243 -0.919 1
1 1520 . 18 1 1 A 123 123 ASN N N 123 125.013 125.453 -0.440 1
1 1521 . 18 1 1 A 123 123 ASN H H 123 8.770 8.837 -0.067 1
1 1522 . 18 1 1 A 123 123 ASN CA C 123 52.889 53.120 -0.231 1
1 1523 . 18 1 1 A 123 123 ASN HA H 123 5.072 4.955 0.117 1
1 1524 . 18 1 1 A 123 123 ASN CB C 123 40.114 39.233 0.881 1
1 1529 . 18 1 1 A 123 123 ASN C C 123 174.799 175.764 -0.965 1
1 1531 . 18 1 1 A 124 124 ASN N N 124 117.247 117.271 -0.024 1
1 1532 . 18 1 1 A 124 124 ASN H H 124 8.599 8.028 0.571 1
1 1533 . 18 1 1 A 124 124 ASN CA C 124 52.853 52.516 0.337 1
1 1534 . 18 1 1 A 124 124 ASN HA H 124 4.721 4.997 -0.276 1
1 1535 . 18 1 1 A 124 124 ASN CB C 124 36.882 39.002 -2.120 1
1 1540 . 18 1 1 A 124 124 ASN C C 124 174.437 174.706 -0.269 1
1 1542 . 18 1 1 A 125 125 LEU N N 125 119.273 121.700 -2.427 1
1 1543 . 18 1 1 A 125 125 LEU H H 125 8.105 7.407 0.698 1
1 1544 . 18 1 1 A 125 125 LEU CA C 125 53.787 53.675 0.112 1
1 1545 . 18 1 1 A 125 125 LEU HA H 125 4.187 4.522 -0.335 1
1 1546 . 18 1 1 A 125 125 LEU CB C 125 40.398 41.799 -1.401 1
1 1558 . 18 1 1 A 125 125 LEU C C 125 175.528 174.711 0.817 1
1 1560 . 18 1 1 A 126 126 PRO CA C 126 62.439 62.745 -0.306 1
1 1561 . 18 1 1 A 126 126 PRO HA H 126 4.519 4.538 -0.019 1
1 1562 . 18 1 1 A 126 126 PRO CB C 126 31.210 32.208 -0.998 1
1 1568 . 18 1 1 A 126 126 PRO C C 126 179.073 177.341 1.732 1
1 1572 . 18 1 1 A 127 127 VAL N N 127 124.759 123.659 1.100 1
1 1573 . 18 1 1 A 127 127 VAL H H 127 8.794 8.553 0.241 1
1 1574 . 18 1 1 A 127 127 VAL CA C 127 64.360 65.308 -0.948 1
1 1575 . 18 1 1 A 127 127 VAL HA H 127 3.216 3.821 -0.605 1
1 1576 . 18 1 1 A 127 127 VAL CB C 127 30.825 31.652 -0.827 1
1 1586 . 18 1 1 A 127 127 VAL C C 127 176.789 176.955 -0.166 1
1 1587 . 18 1 1 A 128 128 GLU N N 128 119.892 122.820 -2.928 1
1 1588 . 18 1 1 A 128 128 GLU H H 128 9.460 8.204 1.256 1
1 1589 . 18 1 1 A 128 128 GLU CA C 128 59.216 59.394 -0.178 1
1 1590 . 18 1 1 A 128 128 GLU HA H 128 3.831 3.683 0.148 1
1 1591 . 18 1 1 A 128 128 GLU CB C 128 29.188 29.163 0.025 1
1 1595 . 18 1 1 A 128 128 GLU C C 128 177.624 178.559 -0.935 1
1 1598 . 18 1 1 A 129 129 SER N N 129 112.727 113.636 -0.909 1
1 1599 . 18 1 1 A 129 129 SER H H 129 8.057 8.189 -0.132 1
1 1600 . 18 1 1 A 129 129 SER CA C 129 61.024 61.368 -0.344 1
1 1601 . 18 1 1 A 129 129 SER HA H 129 3.925 4.237 -0.312 1
1 1602 . 18 1 1 A 129 129 SER CB C 129 64.440 62.158 2.282 1
1 1604 . 18 1 1 A 129 129 SER C C 129 173.147 176.294 -3.147 1
1 1606 . 18 1 1 A 130 130 TRP N N 130 117.092 119.256 -2.164 1
1 1607 . 18 1 1 A 130 130 TRP H H 130 7.184 8.163 -0.979 1
1 1608 . 18 1 1 A 130 130 TRP CA C 130 57.027 58.749 -1.722 1
1 1609 . 18 1 1 A 130 130 TRP HA H 130 4.974 4.671 0.303 1
1 1610 . 18 1 1 A 130 130 TRP CB C 130 31.384 30.009 1.375 1
1 1624 . 18 1 1 A 130 130 TRP C C 130 174.759 177.714 -2.955 1
1 1 . 19 1 1 A 6 6 SER CA C 6 58.371 58.483 -0.112 1
1 2 . 19 1 1 A 6 6 SER HA H 6 4.533 4.621 -0.088 1
1 3 . 19 1 1 A 6 6 SER CB C 6 63.994 64.176 -0.182 1
1 5 . 19 1 1 A 6 6 SER C C 6 174.472 174.602 -0.130 1
1 7 . 19 1 1 A 7 7 GLY N N 7 110.741 113.173 -2.432 1
1 8 . 19 1 1 A 7 7 GLY H H 7 8.209 8.491 -0.282 1
1 9 . 19 1 1 A 7 7 GLY CA C 7 44.501 44.430 0.071 1
1 10 . 19 1 1 A 7 7 GLY HA3 H 7 4.059 4.118 -0.059 1
1 11 . 19 1 1 A 7 7 GLY C C 7 171.084 173.429 -2.345 1
1 12 . 19 1 1 A 7 7 GLY HA2 H 7 4.155 4.118 0.037 1
1 13 . 19 1 1 A 8 8 PRO CA C 8 61.515 62.120 -0.605 1
1 14 . 19 1 1 A 8 8 PRO HA H 8 4.713 4.624 0.089 1
1 15 . 19 1 1 A 8 8 PRO CB C 8 30.760 32.064 -1.304 1
1 24 . 19 1 1 A 9 9 PRO HA H 9 4.724 4.599 0.125 1
1 30 . 19 1 1 A 10 10 PRO CA C 10 62.761 62.443 0.318 1
1 31 . 19 1 1 A 10 10 PRO HA H 10 4.389 4.590 -0.201 1
1 32 . 19 1 1 A 10 10 PRO CB C 10 32.082 33.105 -1.023 1
1 37 . 19 1 1 A 10 10 PRO C C 10 176.236 175.335 0.901 1
1 41 . 19 1 1 A 11 11 ALA N N 11 125.926 122.202 3.724 1
1 42 . 19 1 1 A 11 11 ALA H H 11 8.352 8.203 0.149 1
1 43 . 19 1 1 A 11 11 ALA CA C 11 50.343 49.151 1.192 1
1 44 . 19 1 1 A 11 11 ALA HA H 11 4.583 4.793 -0.210 1
1 45 . 19 1 1 A 11 11 ALA CB C 11 18.255 20.524 -2.269 1
1 49 . 19 1 1 A 11 11 ALA C C 11 175.479 175.290 0.189 1
1 50 . 19 1 1 A 12 12 PRO CA C 12 62.757 62.220 0.537 1
1 51 . 19 1 1 A 12 12 PRO HA H 12 4.386 4.593 -0.207 1
1 52 . 19 1 1 A 12 12 PRO CB C 12 32.104 33.099 -0.995 1
1 57 . 19 1 1 A 12 12 PRO C C 12 176.478 175.518 0.960 1
1 61 . 19 1 1 A 13 13 ILE N N 13 124.607 121.358 3.249 1
1 62 . 19 1 1 A 13 13 ILE H H 13 8.661 8.436 0.225 1
1 63 . 19 1 1 A 13 13 ILE CA C 13 59.081 58.449 0.632 1
1 64 . 19 1 1 A 13 13 ILE HA H 13 4.288 4.462 -0.174 1
1 65 . 19 1 1 A 13 13 ILE CB C 13 39.710 38.130 1.580 1
1 77 . 19 1 1 A 13 13 ILE C C 13 174.727 174.789 -0.062 1
1 79 . 19 1 1 A 14 14 PRO CA C 14 63.433 62.505 0.928 1
1 80 . 19 1 1 A 14 14 PRO HA H 14 4.457 4.534 -0.077 1
1 81 . 19 1 1 A 14 14 PRO CB C 14 32.428 32.355 0.073 1
1 86 . 19 1 1 A 14 14 PRO C C 14 175.380 176.731 -1.351 1
1 90 . 19 1 1 A 15 15 ASP N N 15 118.741 120.267 -1.526 1
1 91 . 19 1 1 A 15 15 ASP H H 15 8.042 8.564 -0.522 1
1 92 . 19 1 1 A 15 15 ASP CA C 15 54.213 54.126 0.087 1
1 93 . 19 1 1 A 15 15 ASP HA H 15 5.064 5.070 -0.006 1
1 94 . 19 1 1 A 15 15 ASP CB C 15 41.793 41.322 0.471 1
1 96 . 19 1 1 A 15 15 ASP C C 15 176.413 175.654 0.759 1
1 98 . 19 1 1 A 16 16 LEU N N 16 121.451 121.218 0.233 1
1 99 . 19 1 1 A 16 16 LEU H H 16 9.016 8.512 0.504 1
1 100 . 19 1 1 A 16 16 LEU CA C 16 53.914 54.502 -0.588 1
1 101 . 19 1 1 A 16 16 LEU HA H 16 4.847 4.899 -0.052 1
1 102 . 19 1 1 A 16 16 LEU CB C 16 48.283 45.864 2.419 1
1 114 . 19 1 1 A 16 16 LEU C C 16 174.915 174.486 0.429 1
1 116 . 19 1 1 A 17 17 LYS N N 17 130.346 127.206 3.140 1
1 117 . 19 1 1 A 17 17 LYS H H 17 8.937 8.864 0.073 1
1 118 . 19 1 1 A 17 17 LYS CA C 17 57.027 57.162 -0.135 1
1 119 . 19 1 1 A 17 17 LYS HA H 17 4.821 4.384 0.437 1
1 120 . 19 1 1 A 17 17 LYS CB C 17 31.991 32.934 -0.943 1
1 128 . 19 1 1 A 17 17 LYS C C 17 177.744 176.462 1.282 1
1 133 . 19 1 1 A 18 18 VAL N N 18 116.605 121.431 -4.826 1
1 134 . 19 1 1 A 18 18 VAL H H 18 8.228 8.490 -0.262 1
1 135 . 19 1 1 A 18 18 VAL CA C 18 60.586 62.005 -1.419 1
1 136 . 19 1 1 A 18 18 VAL HA H 18 4.807 4.486 0.321 1
1 137 . 19 1 1 A 18 18 VAL CB C 18 33.601 34.000 -0.399 1
1 147 . 19 1 1 A 18 18 VAL C C 18 174.118 175.569 -1.451 1
1 148 . 19 1 1 A 19 19 PHE N N 19 120.586 121.849 -1.263 1
1 149 . 19 1 1 A 19 19 PHE H H 19 7.429 7.635 -0.206 1
1 150 . 19 1 1 A 19 19 PHE CA C 19 57.947 57.301 0.646 1
1 151 . 19 1 1 A 19 19 PHE HA H 19 4.544 4.553 -0.009 1
1 152 . 19 1 1 A 19 19 PHE CB C 19 43.455 42.361 1.094 1
1 162 . 19 1 1 A 19 19 PHE C C 19 172.947 172.799 0.148 1
1 164 . 19 1 1 A 20 20 GLU N N 20 126.790 126.703 0.087 1
1 165 . 19 1 1 A 20 20 GLU H H 20 7.620 8.325 -0.705 1
1 166 . 19 1 1 A 20 20 GLU CA C 20 55.117 54.872 0.245 1
1 167 . 19 1 1 A 20 20 GLU HA H 20 5.059 4.954 0.105 1
1 168 . 19 1 1 A 20 20 GLU CB C 20 32.091 32.408 -0.317 1
1 172 . 19 1 1 A 20 20 GLU C C 20 174.073 174.250 -0.177 1
1 175 . 19 1 1 A 21 21 ARG N N 21 125.153 127.405 -2.252 1
1 176 . 19 1 1 A 21 21 ARG H H 21 8.806 8.868 -0.062 1
1 177 . 19 1 1 A 21 21 ARG CA C 21 56.532 54.390 2.142 1
1 178 . 19 1 1 A 21 21 ARG HA H 21 4.234 4.841 -0.607 1
1 179 . 19 1 1 A 21 21 ARG CB C 21 33.707 34.092 -0.385 1
1 185 . 19 1 1 A 21 21 ARG C C 21 176.293 174.833 1.460 1
1 189 . 19 1 1 A 22 22 GLU N N 22 132.286 124.804 7.482 1
1 190 . 19 1 1 A 22 22 GLU H H 22 9.887 8.769 1.118 1
1 191 . 19 1 1 A 22 22 GLU CA C 22 57.271 57.843 -0.572 1
1 192 . 19 1 1 A 22 22 GLU HA H 22 3.968 4.140 -0.172 1
1 193 . 19 1 1 A 22 22 GLU CB C 22 28.595 29.137 -0.542 1
1 197 . 19 1 1 A 22 22 GLU C C 22 175.219 177.065 -1.846 1
1 200 . 19 1 1 A 23 23 GLY N N 23 103.445 113.622 -10.177 1
1 201 . 19 1 1 A 23 23 GLY H H 23 8.570 9.021 -0.451 1
1 202 . 19 1 1 A 23 23 GLY CA C 23 45.698 45.255 0.443 1
1 203 . 19 1 1 A 23 23 GLY HA3 H 23 4.242 4.178 0.064 1
1 204 . 19 1 1 A 23 23 GLY C C 23 173.517 173.930 -0.413 1
1 205 . 19 1 1 A 23 23 GLY HA2 H 23 3.658 4.168 -0.510 1
1 206 . 19 1 1 A 24 24 VAL N N 24 124.489 120.845 3.644 1
1 207 . 19 1 1 A 24 24 VAL H H 24 8.016 8.336 -0.320 1
1 208 . 19 1 1 A 24 24 VAL CA C 24 61.341 61.705 -0.364 1
1 209 . 19 1 1 A 24 24 VAL HA H 24 4.780 4.661 0.119 1
1 210 . 19 1 1 A 24 24 VAL CB C 24 32.051 33.858 -1.807 1
1 220 . 19 1 1 A 24 24 VAL C C 24 175.459 175.049 0.410 1
1 221 . 19 1 1 A 25 25 GLN N N 25 123.296 126.318 -3.022 1
1 222 . 19 1 1 A 25 25 GLN H H 25 8.446 8.667 -0.221 1
1 223 . 19 1 1 A 25 25 GLN CA C 25 53.879 54.404 -0.525 1
1 224 . 19 1 1 A 25 25 GLN HA H 25 5.378 5.103 0.275 1
1 225 . 19 1 1 A 25 25 GLN CB C 25 33.065 31.903 1.162 1
1 232 . 19 1 1 A 25 25 GLN C C 25 174.348 173.961 0.387 1
1 235 . 19 1 1 A 26 26 LEU N N 26 120.847 127.308 -6.461 1
1 236 . 19 1 1 A 26 26 LEU H H 26 8.579 8.947 -0.368 1
1 237 . 19 1 1 A 26 26 LEU CA C 26 53.914 53.981 -0.067 1
1 238 . 19 1 1 A 26 26 LEU HA H 26 5.400 5.101 0.299 1
1 239 . 19 1 1 A 26 26 LEU CB C 26 47.336 44.534 2.802 1
1 251 . 19 1 1 A 26 26 LEU C C 26 174.842 174.902 -0.060 1
1 253 . 19 1 1 A 27 27 ASN N N 27 124.346 124.241 0.105 1
1 254 . 19 1 1 A 27 27 ASN H H 27 8.738 9.234 -0.496 1
1 255 . 19 1 1 A 27 27 ASN CA C 27 52.063 51.868 0.195 1
1 256 . 19 1 1 A 27 27 ASN HA H 27 5.542 5.417 0.125 1
1 257 . 19 1 1 A 27 27 ASN CB C 27 43.866 42.182 1.684 1
1 262 . 19 1 1 A 27 27 ASN C C 27 173.520 173.840 -0.320 1
1 264 . 19 1 1 A 28 28 LEU N N 28 124.198 124.511 -0.313 1
1 265 . 19 1 1 A 28 28 LEU H H 28 9.406 8.646 0.760 1
1 266 . 19 1 1 A 28 28 LEU CA C 28 53.773 53.416 0.357 1
1 267 . 19 1 1 A 28 28 LEU HA H 28 4.995 5.166 -0.171 1
1 268 . 19 1 1 A 28 28 LEU CB C 28 44.307 45.902 -1.595 1
1 280 . 19 1 1 A 28 28 LEU C C 28 174.670 174.358 0.312 1
1 282 . 19 1 1 A 29 29 SER N N 29 115.017 123.423 -8.406 1
1 283 . 19 1 1 A 29 29 SER H H 29 8.314 8.677 -0.363 1
1 284 . 19 1 1 A 29 29 SER CA C 29 56.340 57.400 -1.060 1
1 285 . 19 1 1 A 29 29 SER HA H 29 4.807 4.969 -0.162 1
1 286 . 19 1 1 A 29 29 SER CB C 29 65.926 65.209 0.717 1
1 288 . 19 1 1 A 29 29 SER C C 29 172.842 173.297 -0.455 1
1 290 . 19 1 1 A 30 30 PHE N N 30 119.941 125.191 -5.250 1
1 291 . 19 1 1 A 30 30 PHE H H 30 9.366 8.930 0.436 1
1 292 . 19 1 1 A 30 30 PHE CA C 30 57.047 57.501 -0.454 1
1 293 . 19 1 1 A 30 30 PHE HA H 30 5.374 5.059 0.315 1
1 294 . 19 1 1 A 30 30 PHE CB C 30 44.307 41.018 3.289 1
1 306 . 19 1 1 A 30 30 PHE C C 30 175.242 175.627 -0.385 1
1 308 . 19 1 1 A 31 31 ILE N N 31 122.161 121.263 0.898 1
1 309 . 19 1 1 A 31 31 ILE H H 31 8.950 8.622 0.328 1
1 310 . 19 1 1 A 31 31 ILE CA C 31 60.680 60.785 -0.105 1
1 311 . 19 1 1 A 31 31 ILE HA H 31 4.338 4.809 -0.471 1
1 312 . 19 1 1 A 31 31 ILE CB C 31 42.354 41.509 0.845 1
1 324 . 19 1 1 A 31 31 ILE C C 31 174.368 174.883 -0.515 1
1 326 . 19 1 1 A 32 32 ARG N N 32 128.976 127.565 1.411 1
1 327 . 19 1 1 A 32 32 ARG H H 32 8.773 8.984 -0.211 1
1 328 . 19 1 1 A 32 32 ARG CA C 32 51.444 52.614 -1.170 1
1 329 . 19 1 1 A 32 32 ARG HA H 32 5.263 4.939 0.324 1
1 330 . 19 1 1 A 32 32 ARG CB C 32 29.600 31.380 -1.780 1
1 338 . 19 1 1 A 32 32 ARG C C 32 173.585 173.837 -0.252 1
1 342 . 19 1 1 A 33 33 PRO CA C 33 60.759 61.867 -1.108 1
1 343 . 19 1 1 A 33 33 PRO HA H 33 4.581 4.709 -0.128 1
1 344 . 19 1 1 A 33 33 PRO CB C 33 32.219 32.495 -0.276 1
1 353 . 19 1 1 A 34 34 PRO CA C 34 64.464 65.276 -0.812 1
1 354 . 19 1 1 A 34 34 PRO HA H 34 4.236 4.212 0.024 1
1 355 . 19 1 1 A 34 34 PRO CB C 34 31.997 32.054 -0.057 1
1 361 . 19 1 1 A 34 34 PRO C C 34 178.240 178.517 -0.277 1
1 365 . 19 1 1 A 35 35 GLU N N 35 115.025 115.930 -0.905 1
1 366 . 19 1 1 A 35 35 GLU H H 35 9.287 8.843 0.444 1
1 367 . 19 1 1 A 35 35 GLU CA C 35 57.753 58.854 -1.101 1
1 368 . 19 1 1 A 35 35 GLU HA H 35 4.205 4.129 0.076 1
1 369 . 19 1 1 A 35 35 GLU CB C 35 28.595 28.913 -0.318 1
1 373 . 19 1 1 A 35 35 GLU C C 35 176.471 176.935 -0.464 1
1 376 . 19 1 1 A 36 36 ASN N N 36 114.302 118.089 -3.787 1
1 377 . 19 1 1 A 36 36 ASN H H 36 7.257 7.944 -0.687 1
1 378 . 19 1 1 A 36 36 ASN CA C 36 50.593 50.037 0.556 1
1 379 . 19 1 1 A 36 36 ASN HA H 36 5.024 5.191 -0.167 1
1 380 . 19 1 1 A 36 36 ASN CB C 36 39.094 39.204 -0.110 1
1 385 . 19 1 1 A 36 36 ASN C C 36 172.128 173.675 -1.547 1
1 387 . 19 1 1 A 37 37 PRO CA C 37 64.287 64.849 -0.562 1
1 388 . 19 1 1 A 37 37 PRO HA H 37 4.600 4.330 0.270 1
1 389 . 19 1 1 A 37 37 PRO CB C 37 32.235 31.971 0.264 1
1 394 . 19 1 1 A 37 37 PRO C C 37 176.707 177.768 -1.061 1
1 398 . 19 1 1 A 38 38 ALA N N 38 117.780 117.629 0.151 1
1 399 . 19 1 1 A 38 38 ALA H H 38 7.596 8.014 -0.418 1
1 400 . 19 1 1 A 38 38 ALA CA C 38 52.674 53.314 -0.640 1
1 401 . 19 1 1 A 38 38 ALA HA H 38 4.262 4.257 0.005 1
1 402 . 19 1 1 A 38 38 ALA CB C 38 19.201 19.331 -0.130 1
1 406 . 19 1 1 A 38 38 ALA C C 38 176.546 177.235 -0.689 1
1 407 . 19 1 1 A 39 39 LEU N N 39 122.870 120.677 2.193 1
1 408 . 19 1 1 A 39 39 LEU H H 39 7.963 7.151 0.812 1
1 409 . 19 1 1 A 39 39 LEU CA C 39 54.548 54.195 0.353 1
1 410 . 19 1 1 A 39 39 LEU HA H 39 4.953 4.796 0.157 1
1 411 . 19 1 1 A 39 39 LEU CB C 39 44.768 43.303 1.465 1
1 423 . 19 1 1 A 39 39 LEU C C 39 173.627 175.442 -1.815 1
1 425 . 19 1 1 A 40 40 LEU N N 40 125.985 129.362 -3.377 1
1 426 . 19 1 1 A 40 40 LEU H H 40 9.247 9.103 0.144 1
1 427 . 19 1 1 A 40 40 LEU CA C 40 53.914 53.525 0.389 1
1 428 . 19 1 1 A 40 40 LEU HA H 40 5.018 5.173 -0.155 1
1 429 . 19 1 1 A 40 40 LEU CB C 40 45.014 44.533 0.481 1
1 441 . 19 1 1 A 40 40 LEU C C 40 174.170 174.842 -0.672 1
1 443 . 19 1 1 A 41 41 LEU N N 41 125.906 129.014 -3.108 1
1 444 . 19 1 1 A 41 41 LEU H H 41 9.224 9.144 0.080 1
1 445 . 19 1 1 A 41 41 LEU CA C 41 53.190 53.974 -0.784 1
1 446 . 19 1 1 A 41 41 LEU HA H 41 5.222 4.972 0.250 1
1 447 . 19 1 1 A 41 41 LEU CB C 41 42.034 41.786 0.248 1
1 459 . 19 1 1 A 41 41 LEU C C 41 177.109 176.114 0.995 1
1 461 . 19 1 1 A 42 42 ILE N N 42 124.731 125.956 -1.225 1
1 462 . 19 1 1 A 42 42 ILE H H 42 9.087 8.825 0.262 1
1 463 . 19 1 1 A 42 42 ILE CA C 42 59.794 59.865 -0.071 1
1 464 . 19 1 1 A 42 42 ILE HA H 42 5.055 5.005 0.050 1
1 465 . 19 1 1 A 42 42 ILE CB C 42 41.019 40.586 0.433 1
1 477 . 19 1 1 A 42 42 ILE C C 42 175.074 175.035 0.039 1
1 479 . 19 1 1 A 43 43 THR N N 43 123.315 121.559 1.756 1
1 480 . 19 1 1 A 43 43 THR H H 43 8.589 8.659 -0.070 1
1 481 . 19 1 1 A 43 43 THR CA C 43 61.677 61.425 0.252 1
1 482 . 19 1 1 A 43 43 THR HA H 43 5.023 5.510 -0.487 1
1 483 . 19 1 1 A 43 43 THR CB C 43 69.838 72.837 -2.999 1
1 489 . 19 1 1 A 43 43 THR C C 43 174.993 173.727 1.266 1
1 490 . 19 1 1 A 44 44 ILE N N 44 126.677 124.852 1.825 1
1 491 . 19 1 1 A 44 44 ILE H H 44 9.329 9.028 0.301 1
1 492 . 19 1 1 A 44 44 ILE CA C 44 59.794 59.690 0.104 1
1 493 . 19 1 1 A 44 44 ILE HA H 44 4.953 5.144 -0.191 1
1 494 . 19 1 1 A 44 44 ILE CB C 44 38.754 41.000 -2.246 1
1 506 . 19 1 1 A 44 44 ILE C C 44 174.670 175.400 -0.730 1
1 508 . 19 1 1 A 45 45 THR N N 45 120.442 122.165 -1.723 1
1 509 . 19 1 1 A 45 45 THR H H 45 8.740 8.720 0.020 1
1 510 . 19 1 1 A 45 45 THR CA C 45 61.579 61.512 0.067 1
1 511 . 19 1 1 A 45 45 THR HA H 45 5.266 4.871 0.395 1
1 512 . 19 1 1 A 45 45 THR CB C 45 70.338 70.470 -0.132 1
1 518 . 19 1 1 A 45 45 THR C C 45 174.494 173.268 1.226 1
1 519 . 19 1 1 A 46 46 ALA N N 46 134.267 130.195 4.072 1
1 520 . 19 1 1 A 46 46 ALA H H 46 9.489 8.474 1.015 1
1 521 . 19 1 1 A 46 46 ALA CA C 46 49.846 50.794 -0.948 1
1 522 . 19 1 1 A 46 46 ALA HA H 46 5.554 4.774 0.780 1
1 523 . 19 1 1 A 46 46 ALA CB C 46 20.414 20.057 0.357 1
1 527 . 19 1 1 A 46 46 ALA C C 46 174.819 176.971 -2.152 1
1 528 . 19 1 1 A 47 47 THR N N 47 111.611 115.071 -3.460 1
1 529 . 19 1 1 A 47 47 THR H H 47 8.431 8.280 0.151 1
1 530 . 19 1 1 A 47 47 THR CA C 47 59.331 59.741 -0.410 1
1 531 . 19 1 1 A 47 47 THR HA H 47 4.409 5.117 -0.708 1
1 532 . 19 1 1 A 47 47 THR CB C 47 71.655 70.991 0.664 1
1 538 . 19 1 1 A 47 47 THR C C 47 173.104 172.703 0.401 1
1 539 . 19 1 1 A 48 48 ASN N N 48 117.087 122.013 -4.926 1
1 540 . 19 1 1 A 48 48 ASN H H 48 8.647 8.490 0.157 1
1 541 . 19 1 1 A 48 48 ASN CA C 48 51.019 51.622 -0.603 1
1 542 . 19 1 1 A 48 48 ASN HA H 48 5.096 5.315 -0.219 1
1 543 . 19 1 1 A 48 48 ASN CB C 48 39.880 42.001 -2.121 1
1 548 . 19 1 1 A 48 48 ASN C C 48 173.769 174.223 -0.454 1
1 550 . 19 1 1 A 49 49 PHE N N 49 123.238 122.548 0.690 1
1 551 . 19 1 1 A 49 49 PHE H H 49 9.105 8.297 0.808 1
1 552 . 19 1 1 A 49 49 PHE CA C 49 57.422 58.579 -1.157 1
1 553 . 19 1 1 A 49 49 PHE HA H 49 4.601 4.719 -0.118 1
1 554 . 19 1 1 A 49 49 PHE CB C 49 38.770 40.856 -2.086 1
1 566 . 19 1 1 A 49 49 PHE C C 49 176.238 175.435 0.803 1
1 568 . 19 1 1 A 50 50 SER N N 50 118.477 113.966 4.511 1
1 569 . 19 1 1 A 50 50 SER H H 50 8.344 7.744 0.600 1
1 570 . 19 1 1 A 50 50 SER CA C 50 58.654 58.412 0.242 1
1 571 . 19 1 1 A 50 50 SER HA H 50 4.933 4.507 0.426 1
1 572 . 19 1 1 A 50 50 SER CB C 50 66.611 65.046 1.565 1
1 573 . 19 1 1 A 50 50 SER C C 50 173.089 174.658 -1.569 1
1 574 . 19 1 1 A 51 51 GLU N N 51 114.036 120.329 -6.293 1
1 575 . 19 1 1 A 51 51 GLU H H 51 9.051 9.289 -0.238 1
1 576 . 19 1 1 A 51 51 GLU CA C 51 56.701 56.517 0.184 1
1 577 . 19 1 1 A 51 51 GLU HA H 51 4.358 4.569 -0.211 1
1 578 . 19 1 1 A 51 51 GLU CB C 51 30.323 30.209 0.114 1
1 582 . 19 1 1 A 51 51 GLU C C 51 175.603 175.302 0.301 1
1 585 . 19 1 1 A 52 52 GLY N N 52 109.625 107.956 1.669 1
1 586 . 19 1 1 A 52 52 GLY H H 52 8.525 7.717 0.808 1
1 587 . 19 1 1 A 52 52 GLY CA C 52 44.267 44.235 0.032 1
1 588 . 19 1 1 A 52 52 GLY HA3 H 52 4.505 3.656 0.849 1
1 589 . 19 1 1 A 52 52 GLY C C 52 173.168 172.881 0.287 1
1 590 . 19 1 1 A 52 52 GLY HA2 H 52 2.842 2.779 0.063 1
1 591 . 19 1 1 A 53 53 ASP N N 53 125.175 124.701 0.474 1
1 592 . 19 1 1 A 53 53 ASP H H 53 9.001 8.620 0.381 1
1 593 . 19 1 1 A 53 53 ASP CA C 53 55.793 55.293 0.500 1
1 594 . 19 1 1 A 53 53 ASP HA H 53 4.082 4.450 -0.368 1
1 595 . 19 1 1 A 53 53 ASP CB C 53 40.522 41.337 -0.815 1
1 597 . 19 1 1 A 53 53 ASP C C 53 176.506 175.860 0.646 1
1 599 . 19 1 1 A 54 54 VAL N N 54 125.250 122.705 2.545 1
1 600 . 19 1 1 A 54 54 VAL H H 54 7.873 8.066 -0.193 1
1 601 . 19 1 1 A 54 54 VAL CA C 54 61.350 61.025 0.325 1
1 602 . 19 1 1 A 54 54 VAL HA H 54 4.759 4.858 -0.099 1
1 603 . 19 1 1 A 54 54 VAL CB C 54 32.808 33.661 -0.853 1
1 613 . 19 1 1 A 54 54 VAL C C 54 176.126 174.790 1.336 1
1 614 . 19 1 1 A 55 55 THR N N 55 116.888 116.308 0.580 1
1 615 . 19 1 1 A 55 55 THR H H 55 9.004 8.526 0.478 1
1 616 . 19 1 1 A 55 55 THR CA C 55 59.194 59.843 -0.649 1
1 617 . 19 1 1 A 55 55 THR HA H 55 4.920 4.953 -0.033 1
1 618 . 19 1 1 A 55 55 THR CB C 55 72.508 72.089 0.419 1
1 624 . 19 1 1 A 55 55 THR C C 55 173.166 173.851 -0.685 1
1 625 . 19 1 1 A 56 56 HIS N N 56 115.667 120.410 -4.743 1
1 626 . 19 1 1 A 56 56 HIS H H 56 9.193 8.892 0.301 1
1 627 . 19 1 1 A 56 56 HIS CA C 56 56.363 56.612 -0.249 1
1 628 . 19 1 1 A 56 56 HIS HA H 56 4.153 4.231 -0.078 1
1 629 . 19 1 1 A 56 56 HIS CB C 56 26.923 28.156 -1.233 1
1 635 . 19 1 1 A 56 56 HIS C C 56 173.611 174.983 -1.372 1
1 637 . 19 1 1 A 57 57 PHE N N 57 118.625 119.116 -0.491 1
1 638 . 19 1 1 A 57 57 PHE H H 57 8.932 8.166 0.766 1
1 639 . 19 1 1 A 57 57 PHE CA C 57 59.503 58.796 0.707 1
1 640 . 19 1 1 A 57 57 PHE HA H 57 4.819 4.584 0.235 1
1 641 . 19 1 1 A 57 57 PHE CB C 57 39.871 39.858 0.013 1
1 653 . 19 1 1 A 57 57 PHE C C 57 176.025 174.809 1.216 1
1 655 . 19 1 1 A 58 58 ILE N N 58 131.418 127.261 4.157 1
1 656 . 19 1 1 A 58 58 ILE H H 58 8.989 8.286 0.703 1
1 657 . 19 1 1 A 58 58 ILE CA C 58 61.138 59.906 1.232 1
1 658 . 19 1 1 A 58 58 ILE HA H 58 4.001 4.400 -0.399 1
1 659 . 19 1 1 A 58 58 ILE CB C 58 41.349 40.967 0.382 1
1 671 . 19 1 1 A 58 58 ILE C C 58 173.046 173.905 -0.859 1
1 673 . 19 1 1 A 59 59 CYS N N 59 126.838 128.014 -1.176 1
1 674 . 19 1 1 A 59 59 CYS H H 59 8.844 8.662 0.182 1
1 675 . 19 1 1 A 59 59 CYS CA C 59 56.902 56.657 0.245 1
1 676 . 19 1 1 A 59 59 CYS HA H 59 5.044 5.067 -0.023 1
1 677 . 19 1 1 A 59 59 CYS CB C 59 28.363 29.480 -1.117 1
1 679 . 19 1 1 A 59 59 CYS C C 59 173.375 173.388 -0.013 1
1 681 . 19 1 1 A 60 60 GLN N N 60 126.903 126.216 0.687 1
1 682 . 19 1 1 A 60 60 GLN H H 60 8.929 8.582 0.347 1
1 683 . 19 1 1 A 60 60 GLN CA C 60 54.162 54.458 -0.296 1
1 684 . 19 1 1 A 60 60 GLN HA H 60 4.656 5.101 -0.445 1
1 685 . 19 1 1 A 60 60 GLN CB C 60 31.991 31.240 0.751 1
1 691 . 19 1 1 A 60 60 GLN C C 60 174.000 174.883 -0.883 1
1 694 . 19 1 1 A 61 61 ALA N N 61 124.049 121.825 2.224 1
1 695 . 19 1 1 A 61 61 ALA H H 61 8.178 8.679 -0.501 1
1 696 . 19 1 1 A 61 61 ALA CA C 61 50.160 50.971 -0.811 1
1 697 . 19 1 1 A 61 61 ALA HA H 61 5.192 5.240 -0.048 1
1 698 . 19 1 1 A 61 61 ALA CB C 61 23.419 24.255 -0.836 1
1 702 . 19 1 1 A 61 61 ALA C C 61 175.076 175.285 -0.209 1
1 703 . 19 1 1 A 62 62 ALA N N 62 121.362 120.259 1.103 1
1 704 . 19 1 1 A 62 62 ALA H H 62 8.488 8.440 0.048 1
1 705 . 19 1 1 A 62 62 ALA CA C 62 51.309 51.604 -0.295 1
1 706 . 19 1 1 A 62 62 ALA HA H 62 4.667 5.072 -0.405 1
1 707 . 19 1 1 A 62 62 ALA CB C 62 22.617 21.514 1.103 1
1 711 . 19 1 1 A 62 62 ALA C C 62 176.013 176.073 -0.060 1
1 712 . 19 1 1 A 63 63 VAL N N 63 113.572 118.233 -4.661 1
1 713 . 19 1 1 A 63 63 VAL H H 63 8.271 8.693 -0.422 1
1 714 . 19 1 1 A 63 63 VAL CA C 63 57.691 58.334 -0.643 1
1 715 . 19 1 1 A 63 63 VAL HA H 63 5.045 4.793 0.252 1
1 716 . 19 1 1 A 63 63 VAL CB C 63 32.968 33.377 -0.409 1
1 726 . 19 1 1 A 63 63 VAL C C 63 173.707 173.905 -0.198 1
1 727 . 19 1 1 A 64 64 PRO CA C 64 62.757 62.505 0.252 1
1 728 . 19 1 1 A 64 64 PRO HA H 64 4.459 4.629 -0.170 1
1 729 . 19 1 1 A 64 64 PRO CB C 64 32.728 32.512 0.216 1
1 735 . 19 1 1 A 64 64 PRO C C 64 176.348 177.976 -1.628 1
1 739 . 19 1 1 A 65 65 LYS N N 65 118.624 123.151 -4.527 1
1 740 . 19 1 1 A 65 65 LYS H H 65 8.323 8.627 -0.304 1
1 741 . 19 1 1 A 65 65 LYS CA C 65 58.516 59.159 -0.643 1
1 742 . 19 1 1 A 65 65 LYS HA H 65 4.183 4.027 0.156 1
1 743 . 19 1 1 A 65 65 LYS CB C 65 32.320 31.922 0.398 1
1 751 . 19 1 1 A 65 65 LYS C C 65 176.595 177.958 -1.363 1
1 756 . 19 1 1 A 66 66 SER N N 66 111.762 115.879 -4.117 1
1 757 . 19 1 1 A 66 66 SER H H 66 7.779 8.179 -0.400 1
1 758 . 19 1 1 A 66 66 SER CA C 66 59.298 62.384 -3.086 1
1 759 . 19 1 1 A 66 66 SER HA H 66 4.234 4.122 0.112 1
1 760 . 19 1 1 A 66 66 SER CB C 66 62.984 62.981 0.003 1
1 762 . 19 1 1 A 66 66 SER C C 66 174.137 174.623 -0.486 1
1 764 . 19 1 1 A 67 67 LEU N N 67 124.569 118.743 5.826 1
1 765 . 19 1 1 A 67 67 LEU H H 67 8.109 8.220 -0.111 1
1 766 . 19 1 1 A 67 67 LEU CA C 67 54.940 53.205 1.735 1
1 767 . 19 1 1 A 67 67 LEU HA H 67 4.836 5.098 -0.262 1
1 768 . 19 1 1 A 67 67 LEU CB C 67 43.882 44.506 -0.624 1
1 780 . 19 1 1 A 67 67 LEU C C 67 174.925 175.690 -0.765 1
1 782 . 19 1 1 A 68 68 GLN N N 68 117.163 121.580 -4.417 1
1 783 . 19 1 1 A 68 68 GLN H H 68 8.063 8.954 -0.891 1
1 784 . 19 1 1 A 68 68 GLN CA C 68 54.829 54.368 0.461 1
1 785 . 19 1 1 A 68 68 GLN HA H 68 4.674 5.220 -0.546 1
1 786 . 19 1 1 A 68 68 GLN CB C 68 31.579 31.922 -0.343 1
1 793 . 19 1 1 A 68 68 GLN C C 68 174.077 174.200 -0.123 1
1 796 . 19 1 1 A 69 69 LEU N N 69 126.046 123.883 2.163 1
1 797 . 19 1 1 A 69 69 LEU H H 69 8.676 8.777 -0.101 1
1 798 . 19 1 1 A 69 69 LEU CA C 69 54.073 53.914 0.159 1
1 799 . 19 1 1 A 69 69 LEU HA H 69 5.231 5.119 0.112 1
1 800 . 19 1 1 A 69 69 LEU CB C 69 45.602 46.394 -0.792 1
1 811 . 19 1 1 A 69 69 LEU C C 69 175.497 174.459 1.038 1
1 813 . 19 1 1 A 70 70 GLN N N 70 126.758 125.374 1.384 1
1 814 . 19 1 1 A 70 70 GLN H H 70 9.410 8.993 0.417 1
1 815 . 19 1 1 A 70 70 GLN CA C 70 54.657 54.407 0.250 1
1 816 . 19 1 1 A 70 70 GLN HA H 70 4.746 4.950 -0.204 1
1 817 . 19 1 1 A 70 70 GLN CB C 70 31.537 32.706 -1.169 1
1 824 . 19 1 1 A 70 70 GLN C C 70 174.686 174.032 0.654 1
1 827 . 19 1 1 A 71 71 LEU N N 71 126.413 128.316 -1.903 1
1 828 . 19 1 1 A 71 71 LEU H H 71 8.936 8.750 0.186 1
1 829 . 19 1 1 A 71 71 LEU CA C 71 55.294 54.143 1.151 1
1 830 . 19 1 1 A 71 71 LEU HA H 71 4.752 4.676 0.076 1
1 831 . 19 1 1 A 71 71 LEU CB C 71 43.898 43.202 0.696 1
1 843 . 19 1 1 A 71 71 LEU C C 71 176.498 175.375 1.123 1
1 845 . 19 1 1 A 72 72 GLN N N 72 121.553 127.529 -5.976 1
1 846 . 19 1 1 A 72 72 GLN H H 72 8.100 8.018 0.082 1
1 847 . 19 1 1 A 72 72 GLN CA C 72 54.209 54.887 -0.678 1
1 848 . 19 1 1 A 72 72 GLN HA H 72 4.589 4.411 0.178 1
1 849 . 19 1 1 A 72 72 GLN CB C 72 31.142 30.107 1.035 1
1 856 . 19 1 1 A 72 72 GLN C C 72 174.254 175.683 -1.429 1
1 859 . 19 1 1 A 73 73 ALA N N 73 124.262 127.952 -3.690 1
1 860 . 19 1 1 A 73 73 ALA H H 73 8.452 8.404 0.048 1
1 861 . 19 1 1 A 73 73 ALA CA C 73 51.211 50.628 0.583 1
1 862 . 19 1 1 A 73 73 ALA HA H 73 4.500 4.201 0.299 1
1 863 . 19 1 1 A 73 73 ALA CB C 73 17.185 19.284 -2.099 1
1 867 . 19 1 1 A 73 73 ALA C C 73 176.548 175.803 0.745 1
1 868 . 19 1 1 A 74 74 PRO CA C 74 62.160 62.549 -0.389 1
1 869 . 19 1 1 A 74 74 PRO HA H 74 4.848 4.540 0.308 1
1 870 . 19 1 1 A 74 74 PRO CB C 74 32.897 33.190 -0.293 1
1 874 . 19 1 1 A 74 74 PRO C C 74 177.266 176.726 0.540 1
1 878 . 19 1 1 A 75 75 SER N N 75 115.398 115.709 -0.311 1
1 879 . 19 1 1 A 75 75 SER H H 75 9.293 8.706 0.587 1
1 880 . 19 1 1 A 75 75 SER CA C 75 61.024 59.903 1.121 1
1 881 . 19 1 1 A 75 75 SER HA H 75 4.154 4.416 -0.262 1
1 882 . 19 1 1 A 75 75 SER CB C 75 62.867 64.154 -1.287 1
1 884 . 19 1 1 A 75 75 SER C C 75 174.460 174.367 0.093 1
1 886 . 19 1 1 A 76 76 GLY N N 76 106.233 106.438 -0.205 1
1 887 . 19 1 1 A 76 76 GLY H H 76 7.208 7.438 -0.230 1
1 888 . 19 1 1 A 76 76 GLY CA C 76 44.930 45.631 -0.701 1
1 889 . 19 1 1 A 76 76 GLY HA3 H 76 4.306 4.002 0.304 1
1 890 . 19 1 1 A 76 76 GLY C C 76 171.327 172.887 -1.560 1
1 891 . 19 1 1 A 76 76 GLY HA2 H 76 4.095 3.999 0.096 1
1 892 . 19 1 1 A 77 77 ASN CA C 77 53.060 52.815 0.245 1
1 893 . 19 1 1 A 77 77 ASN HA H 77 5.001 5.060 -0.059 1
1 894 . 19 1 1 A 77 77 ASN CB C 77 40.650 39.446 1.204 1
1 899 . 19 1 1 A 77 77 ASN C C 77 173.427 173.410 0.017 1
1 901 . 19 1 1 A 78 78 THR N N 78 114.705 115.217 -0.512 1
1 902 . 19 1 1 A 78 78 THR H H 78 7.579 7.570 0.009 1
1 903 . 19 1 1 A 78 78 THR CA C 78 59.766 61.315 -1.549 1
1 904 . 19 1 1 A 78 78 THR HA H 78 5.174 5.131 0.043 1
1 905 . 19 1 1 A 78 78 THR CB C 78 71.855 72.286 -0.431 1
1 911 . 19 1 1 A 78 78 THR C C 78 173.138 173.301 -0.163 1
1 912 . 19 1 1 A 79 79 VAL N N 79 123.606 125.439 -1.833 1
1 913 . 19 1 1 A 79 79 VAL H H 79 8.696 9.336 -0.640 1
1 914 . 19 1 1 A 79 79 VAL CA C 79 58.982 58.832 0.150 1
1 915 . 19 1 1 A 79 79 VAL HA H 79 4.495 4.489 0.006 1
1 916 . 19 1 1 A 79 79 VAL CB C 79 32.717 35.353 -2.636 1
1 926 . 19 1 1 A 79 79 VAL C C 79 174.289 173.857 0.432 1
1 927 . 19 1 1 A 80 80 PRO CA C 80 63.184 62.748 0.436 1
1 928 . 19 1 1 A 80 80 PRO HA H 80 4.160 4.628 -0.468 1
1 929 . 19 1 1 A 80 80 PRO CB C 80 33.128 32.612 0.516 1
1 935 . 19 1 1 A 80 80 PRO C C 80 174.009 176.717 -2.708 1
1 939 . 19 1 1 A 81 81 ALA N N 81 120.000 125.066 -5.066 1
1 940 . 19 1 1 A 81 81 ALA H H 81 8.371 7.978 0.393 1
1 941 . 19 1 1 A 81 81 ALA CA C 81 51.951 52.220 -0.269 1
1 942 . 19 1 1 A 81 81 ALA HA H 81 3.715 4.304 -0.589 1
1 943 . 19 1 1 A 81 81 ALA CB C 81 20.029 19.012 1.017 1
1 947 . 19 1 1 A 81 81 ALA C C 81 176.740 177.676 -0.936 1
1 948 . 19 1 1 A 82 82 ARG N N 82 111.901 117.940 -6.039 1
1 949 . 19 1 1 A 82 82 ARG H H 82 8.724 7.697 1.027 1
1 950 . 19 1 1 A 82 82 ARG CA C 82 57.062 54.960 2.102 1
1 951 . 19 1 1 A 82 82 ARG HA H 82 3.665 4.587 -0.922 1
1 952 . 19 1 1 A 82 82 ARG CB C 82 26.959 31.077 -4.118 1
1 958 . 19 1 1 A 82 82 ARG C C 82 176.777 176.358 0.419 1
1 962 . 19 1 1 A 83 83 GLY N N 83 107.610 109.000 -1.390 1
1 963 . 19 1 1 A 83 83 GLY H H 83 9.251 7.581 1.670 1
1 964 . 19 1 1 A 83 83 GLY CA C 83 46.389 46.479 -0.090 1
1 965 . 19 1 1 A 83 83 GLY HA3 H 83 3.731 3.758 -0.027 1
1 966 . 19 1 1 A 83 83 GLY C C 83 176.193 175.322 0.871 1
1 967 . 19 1 1 A 83 83 GLY HA2 H 83 3.352 3.477 -0.125 1
1 968 . 19 1 1 A 84 84 GLY N N 84 106.030 107.150 -1.120 1
1 969 . 19 1 1 A 84 84 GLY H H 84 7.015 7.938 -0.923 1
1 970 . 19 1 1 A 84 84 GLY CA C 84 45.272 46.643 -1.371 1
1 971 . 19 1 1 A 84 84 GLY HA3 H 84 3.537 3.689 -0.152 1
1 972 . 19 1 1 A 84 84 GLY C C 84 171.651 174.242 -2.591 1
1 973 . 19 1 1 A 84 84 GLY HA2 H 84 3.891 3.671 0.220 1
1 974 . 19 1 1 A 85 85 LEU N N 85 120.524 120.436 0.088 1
1 975 . 19 1 1 A 85 85 LEU H H 85 7.903 8.100 -0.197 1
1 976 . 19 1 1 A 85 85 LEU CA C 85 53.494 51.090 2.404 1
1 977 . 19 1 1 A 85 85 LEU HA H 85 4.346 4.818 -0.472 1
1 978 . 19 1 1 A 85 85 LEU CB C 85 42.901 44.890 -1.989 1
1 990 . 19 1 1 A 85 85 LEU C C 85 174.362 174.911 -0.549 1
1 992 . 19 1 1 A 86 86 PRO CA C 86 62.752 62.300 0.452 1
1 993 . 19 1 1 A 86 86 PRO HA H 86 4.570 4.511 0.059 1
1 994 . 19 1 1 A 86 86 PRO CB C 86 33.557 32.418 1.139 1
1 1000 . 19 1 1 A 86 86 PRO C C 86 178.338 175.962 2.376 1
1 1004 . 19 1 1 A 87 87 ILE N N 87 118.504 122.440 -3.936 1
1 1005 . 19 1 1 A 87 87 ILE H H 87 7.544 8.506 -0.962 1
1 1006 . 19 1 1 A 87 87 ILE CA C 87 60.571 60.995 -0.424 1
1 1007 . 19 1 1 A 87 87 ILE HA H 87 4.021 4.471 -0.450 1
1 1008 . 19 1 1 A 87 87 ILE CB C 87 40.787 38.642 2.145 1
1 1020 . 19 1 1 A 87 87 ILE C C 87 175.620 175.723 -0.103 1
1 1022 . 19 1 1 A 88 88 THR N N 88 115.839 118.115 -2.276 1
1 1023 . 19 1 1 A 88 88 THR H H 88 8.788 9.037 -0.249 1
1 1024 . 19 1 1 A 88 88 THR CA C 88 58.935 60.252 -1.317 1
1 1025 . 19 1 1 A 88 88 THR HA H 88 5.678 5.634 0.044 1
1 1026 . 19 1 1 A 88 88 THR CB C 88 72.532 71.376 1.156 1
1 1032 . 19 1 1 A 88 88 THR C C 88 174.318 172.646 1.672 1
1 1033 . 19 1 1 A 89 89 GLN N N 89 121.295 124.226 -2.931 1
1 1034 . 19 1 1 A 89 89 GLN H H 89 8.399 9.134 -0.735 1
1 1035 . 19 1 1 A 89 89 GLN CA C 89 56.259 53.760 2.499 1
1 1036 . 19 1 1 A 89 89 GLN HA H 89 4.528 4.941 -0.413 1
1 1037 . 19 1 1 A 89 89 GLN CB C 89 30.760 32.209 -1.449 1
1 1044 . 19 1 1 A 89 89 GLN C C 89 172.439 172.988 -0.549 1
1 1047 . 19 1 1 A 90 90 LEU N N 90 129.715 124.901 4.814 1
1 1048 . 19 1 1 A 90 90 LEU H H 90 8.426 8.359 0.067 1
1 1049 . 19 1 1 A 90 90 LEU CA C 90 54.513 52.830 1.683 1
1 1050 . 19 1 1 A 90 90 LEU HA H 90 5.103 5.225 -0.122 1
1 1051 . 19 1 1 A 90 90 LEU CB C 90 44.412 45.694 -1.282 1
1 1063 . 19 1 1 A 90 90 LEU C C 90 175.027 173.851 1.176 1
1 1065 . 19 1 1 A 91 91 PHE N N 91 123.227 124.032 -0.805 1
1 1066 . 19 1 1 A 91 91 PHE H H 91 9.647 8.687 0.960 1
1 1067 . 19 1 1 A 91 91 PHE CA C 91 55.327 56.326 -0.999 1
1 1068 . 19 1 1 A 91 91 PHE HA H 91 5.064 5.398 -0.334 1
1 1069 . 19 1 1 A 91 91 PHE CB C 91 40.899 41.659 -0.760 1
1 1081 . 19 1 1 A 91 91 PHE C C 91 174.296 174.857 -0.561 1
1 1083 . 19 1 1 A 92 92 ARG N N 92 121.174 124.183 -3.009 1
1 1084 . 19 1 1 A 92 92 ARG H H 92 8.726 8.962 -0.236 1
1 1085 . 19 1 1 A 92 92 ARG CA C 92 55.046 56.022 -0.976 1
1 1086 . 19 1 1 A 92 92 ARG HA H 92 5.109 4.727 0.382 1
1 1087 . 19 1 1 A 92 92 ARG CB C 92 32.524 30.934 1.590 1
1 1093 . 19 1 1 A 92 92 ARG C C 92 175.154 175.022 0.132 1
1 1097 . 19 1 1 A 93 93 ILE N N 93 126.629 125.453 1.176 1
1 1098 . 19 1 1 A 93 93 ILE H H 93 9.599 8.863 0.736 1
1 1099 . 19 1 1 A 93 93 ILE CA C 93 59.538 59.821 -0.283 1
1 1100 . 19 1 1 A 93 93 ILE HA H 93 5.206 5.244 -0.038 1
1 1101 . 19 1 1 A 93 93 ILE CB C 93 40.963 41.336 -0.373 1
1 1113 . 19 1 1 A 93 93 ILE C C 93 174.400 174.848 -0.448 1
1 1115 . 19 1 1 A 94 94 LEU N N 94 127.940 126.973 0.967 1
1 1116 . 19 1 1 A 94 94 LEU H H 94 8.853 8.929 -0.076 1
1 1117 . 19 1 1 A 94 94 LEU CA C 94 53.673 53.230 0.443 1
1 1118 . 19 1 1 A 94 94 LEU HA H 94 5.152 5.147 0.005 1
1 1119 . 19 1 1 A 94 94 LEU CB C 94 44.245 43.897 0.348 1
1 1131 . 19 1 1 A 94 94 LEU C C 94 176.106 175.846 0.260 1
1 1133 . 19 1 1 A 95 95 ASN N N 95 119.567 122.486 -2.919 1
1 1134 . 19 1 1 A 95 95 ASN H H 95 9.271 8.943 0.328 1
1 1135 . 19 1 1 A 95 95 ASN CA C 95 49.634 50.732 -1.098 1
1 1136 . 19 1 1 A 95 95 ASN HA H 95 5.361 5.267 0.094 1
1 1137 . 19 1 1 A 95 95 ASN CB C 95 39.189 39.157 0.032 1
1 1142 . 19 1 1 A 95 95 ASN C C 95 173.779 173.875 -0.096 1
1 1144 . 19 1 1 A 96 96 PRO CA C 96 64.795 64.261 0.534 1
1 1145 . 19 1 1 A 96 96 PRO HA H 96 4.306 4.528 -0.222 1
1 1146 . 19 1 1 A 96 96 PRO CB C 96 32.010 31.872 0.138 1
1 1152 . 19 1 1 A 96 96 PRO C C 96 177.656 177.442 0.214 1
1 1156 . 19 1 1 A 97 97 ASN N N 97 114.343 114.835 -0.492 1
1 1157 . 19 1 1 A 97 97 ASN H H 97 8.840 7.760 1.080 1
1 1158 . 19 1 1 A 97 97 ASN CA C 97 52.889 52.657 0.232 1
1 1159 . 19 1 1 A 97 97 ASN HA H 97 4.828 4.788 0.040 1
1 1160 . 19 1 1 A 97 97 ASN CB C 97 38.085 38.670 -0.585 1
1 1165 . 19 1 1 A 97 97 ASN C C 97 174.361 174.639 -0.278 1
1 1167 . 19 1 1 A 98 98 LYS N N 98 118.175 116.022 2.153 1
1 1168 . 19 1 1 A 98 98 LYS H H 98 7.735 7.633 0.102 1
1 1169 . 19 1 1 A 98 98 LYS CA C 98 57.625 57.262 0.363 1
1 1170 . 19 1 1 A 98 98 LYS HA H 98 3.780 3.930 -0.150 1
1 1171 . 19 1 1 A 98 98 LYS CB C 98 29.343 29.470 -0.127 1
1 1179 . 19 1 1 A 98 98 LYS C C 98 174.779 174.769 0.010 1
1 1184 . 19 1 1 A 99 99 ALA N N 99 122.321 121.272 1.049 1
1 1185 . 19 1 1 A 99 99 ALA H H 99 8.454 7.899 0.555 1
1 1186 . 19 1 1 A 99 99 ALA CA C 99 49.893 48.983 0.910 1
1 1187 . 19 1 1 A 99 99 ALA HA H 99 4.415 4.746 -0.331 1
1 1188 . 19 1 1 A 99 99 ALA CB C 99 18.125 20.322 -2.197 1
1 1192 . 19 1 1 A 99 99 ALA C C 99 175.018 176.026 -1.008 1
1 1193 . 19 1 1 A 100 100 PRO CA C 100 62.082 62.269 -0.187 1
1 1194 . 19 1 1 A 100 100 PRO CB C 100 31.068 29.398 1.670 1
1 1203 . 19 1 1 A 101 101 LEU H H 101 5.223 8.381 -3.158 1
1 1204 . 19 1 1 A 101 101 LEU CA C 101 55.181 53.288 1.893 1
1 1205 . 19 1 1 A 101 101 LEU HA H 101 3.758 4.893 -1.135 1
1 1206 . 19 1 1 A 101 101 LEU CB C 101 43.103 42.952 0.151 1
1 1218 . 19 1 1 A 101 101 LEU C C 101 174.350 176.413 -2.063 1
1 1220 . 19 1 1 A 102 102 ARG N N 102 122.304 118.062 4.242 1
1 1221 . 19 1 1 A 102 102 ARG H H 102 6.412 8.660 -2.248 1
1 1222 . 19 1 1 A 102 102 ARG CA C 102 54.659 54.314 0.345 1
1 1223 . 19 1 1 A 102 102 ARG HA H 102 4.500 5.039 -0.539 1
1 1224 . 19 1 1 A 102 102 ARG CB C 102 33.168 32.702 0.466 1
1 1230 . 19 1 1 A 102 102 ARG C C 102 173.625 174.360 -0.735 1
1 1234 . 19 1 1 A 103 103 LEU N N 103 119.849 121.442 -1.593 1
1 1235 . 19 1 1 A 103 103 LEU H H 103 8.301 8.788 -0.487 1
1 1236 . 19 1 1 A 103 103 LEU CA C 103 53.667 53.623 0.044 1
1 1237 . 19 1 1 A 103 103 LEU HA H 103 4.886 5.028 -0.142 1
1 1238 . 19 1 1 A 103 103 LEU CB C 103 47.097 46.456 0.641 1
1 1250 . 19 1 1 A 103 103 LEU C C 103 173.874 173.617 0.257 1
1 1252 . 19 1 1 A 104 104 LYS N N 104 126.165 127.276 -1.111 1
1 1253 . 19 1 1 A 104 104 LYS H H 104 8.516 8.838 -0.322 1
1 1254 . 19 1 1 A 104 104 LYS CA C 104 55.117 54.904 0.213 1
1 1255 . 19 1 1 A 104 104 LYS HA H 104 4.773 4.995 -0.222 1
1 1256 . 19 1 1 A 104 104 LYS CB C 104 34.581 34.152 0.429 1
1 1264 . 19 1 1 A 104 104 LYS C C 104 174.980 174.898 0.082 1
1 1269 . 19 1 1 A 105 105 LEU N N 105 125.172 126.852 -1.680 1
1 1270 . 19 1 1 A 105 105 LEU H H 105 8.586 8.689 -0.103 1
1 1271 . 19 1 1 A 105 105 LEU CA C 105 53.059 52.880 0.179 1
1 1272 . 19 1 1 A 105 105 LEU HA H 105 4.923 4.984 -0.061 1
1 1273 . 19 1 1 A 105 105 LEU CB C 105 44.358 44.944 -0.586 1
1 1285 . 19 1 1 A 105 105 LEU C C 105 174.037 175.123 -1.086 1
1 1287 . 19 1 1 A 106 106 ARG N N 106 119.880 123.930 -4.050 1
1 1288 . 19 1 1 A 106 106 ARG H H 106 8.363 9.249 -0.886 1
1 1289 . 19 1 1 A 106 106 ARG CA C 106 54.374 54.250 0.124 1
1 1290 . 19 1 1 A 106 106 ARG HA H 106 4.926 4.982 -0.056 1
1 1291 . 19 1 1 A 106 106 ARG CB C 106 32.783 33.933 -1.150 1
1 1297 . 19 1 1 A 106 106 ARG C C 106 174.611 174.197 0.414 1
1 1301 . 19 1 1 A 107 107 LEU N N 107 128.498 126.549 1.949 1
1 1302 . 19 1 1 A 107 107 LEU H H 107 9.260 8.573 0.687 1
1 1303 . 19 1 1 A 107 107 LEU CA C 107 52.942 53.406 -0.464 1
1 1304 . 19 1 1 A 107 107 LEU HA H 107 5.110 5.318 -0.208 1
1 1305 . 19 1 1 A 107 107 LEU CB C 107 45.279 45.127 0.152 1
1 1317 . 19 1 1 A 107 107 LEU C C 107 175.494 175.687 -0.193 1
1 1319 . 19 1 1 A 108 108 THR N N 108 114.947 116.396 -1.449 1
1 1320 . 19 1 1 A 108 108 THR H H 108 8.424 8.452 -0.028 1
1 1321 . 19 1 1 A 108 108 THR CA C 108 59.201 60.493 -1.292 1
1 1322 . 19 1 1 A 108 108 THR HA H 108 5.344 5.325 0.019 1
1 1323 . 19 1 1 A 108 108 THR CB C 108 71.413 71.013 0.400 1
1 1329 . 19 1 1 A 108 108 THR C C 108 172.424 172.993 -0.569 1
1 1330 . 19 1 1 A 109 109 TYR N N 109 114.691 120.018 -5.327 1
1 1331 . 19 1 1 A 109 109 TYR H H 109 8.056 8.335 -0.279 1
1 1332 . 19 1 1 A 109 109 TYR CA C 109 57.133 56.105 1.028 1
1 1333 . 19 1 1 A 109 109 TYR HA H 109 4.769 5.206 -0.437 1
1 1334 . 19 1 1 A 109 109 TYR CB C 109 38.008 40.430 -2.422 1
1 1344 . 19 1 1 A 109 109 TYR C C 109 171.790 171.793 -0.003 1
1 1346 . 19 1 1 A 110 110 ASP N N 110 119.179 121.163 -1.984 1
1 1347 . 19 1 1 A 110 110 ASP H H 110 9.332 9.016 0.316 1
1 1348 . 19 1 1 A 110 110 ASP CA C 110 53.147 52.927 0.220 1
1 1349 . 19 1 1 A 110 110 ASP HA H 110 5.855 5.524 0.331 1
1 1350 . 19 1 1 A 110 110 ASP CB C 110 42.179 43.512 -1.333 1
1 1352 . 19 1 1 A 110 110 ASP C C 110 176.257 174.647 1.610 1
1 1354 . 19 1 1 A 111 111 HIS N N 111 122.092 126.611 -4.519 1
1 1355 . 19 1 1 A 111 111 HIS H H 111 8.993 9.427 -0.434 1
1 1356 . 19 1 1 A 111 111 HIS CA C 111 55.365 55.683 -0.318 1
1 1357 . 19 1 1 A 111 111 HIS HA H 111 4.768 4.969 -0.201 1
1 1358 . 19 1 1 A 111 111 HIS CB C 111 36.414 33.139 3.275 1
1 1364 . 19 1 1 A 111 111 HIS C C 111 175.420 174.683 0.737 1
1 1366 . 19 1 1 A 112 112 PHE N N 112 129.361 127.433 1.928 1
1 1367 . 19 1 1 A 112 112 PHE H H 112 10.128 9.761 0.367 1
1 1368 . 19 1 1 A 112 112 PHE CA C 112 59.353 58.859 0.494 1
1 1369 . 19 1 1 A 112 112 PHE HA H 112 3.972 4.020 -0.048 1
1 1370 . 19 1 1 A 112 112 PHE CB C 112 36.136 36.767 -0.631 1
1 1382 . 19 1 1 A 112 112 PHE C C 112 175.288 175.086 0.202 1
1 1384 . 19 1 1 A 113 113 HIS N N 113 109.753 109.137 0.616 1
1 1385 . 19 1 1 A 113 113 HIS H H 113 8.856 8.338 0.518 1
1 1386 . 19 1 1 A 113 113 HIS CA C 113 57.593 56.681 0.912 1
1 1387 . 19 1 1 A 113 113 HIS HA H 113 4.168 4.322 -0.154 1
1 1388 . 19 1 1 A 113 113 HIS CB C 113 27.575 26.944 0.631 1
1 1394 . 19 1 1 A 113 113 HIS C C 113 174.146 173.874 0.272 1
1 1396 . 19 1 1 A 114 114 GLN N N 114 118.510 116.727 1.783 1
1 1397 . 19 1 1 A 114 114 GLN H H 114 7.930 7.688 0.242 1
1 1398 . 19 1 1 A 114 114 GLN CA C 114 54.303 54.636 -0.333 1
1 1399 . 19 1 1 A 114 114 GLN HA H 114 4.674 4.802 -0.128 1
1 1400 . 19 1 1 A 114 114 GLN CB C 114 31.548 32.717 -1.169 1
1 1407 . 19 1 1 A 114 114 GLN C C 114 174.702 175.182 -0.480 1
1 1410 . 19 1 1 A 115 115 SER N N 115 118.183 117.744 0.439 1
1 1411 . 19 1 1 A 115 115 SER H H 115 8.528 8.704 -0.176 1
1 1412 . 19 1 1 A 115 115 SER CA C 115 57.665 57.827 -0.162 1
1 1413 . 19 1 1 A 115 115 SER HA H 115 5.112 4.783 0.329 1
1 1414 . 19 1 1 A 115 115 SER CB C 115 63.266 63.705 -0.439 1
1 1416 . 19 1 1 A 115 115 SER C C 115 174.157 173.982 0.175 1
1 1418 . 19 1 1 A 116 116 VAL N N 116 130.788 125.447 5.341 1
1 1419 . 19 1 1 A 116 116 VAL H H 116 9.445 8.773 0.672 1
1 1420 . 19 1 1 A 116 116 VAL CA C 116 62.375 61.241 1.134 1
1 1421 . 19 1 1 A 116 116 VAL HA H 116 3.870 4.642 -0.772 1
1 1422 . 19 1 1 A 116 116 VAL CB C 116 32.564 33.705 -1.141 1
1 1432 . 19 1 1 A 116 116 VAL C C 116 175.674 174.245 1.429 1
1 1433 . 19 1 1 A 117 117 GLN N N 117 127.278 129.116 -1.838 1
1 1434 . 19 1 1 A 117 117 GLN H H 117 8.612 9.025 -0.413 1
1 1435 . 19 1 1 A 117 117 GLN CA C 117 55.004 54.750 0.254 1
1 1436 . 19 1 1 A 117 117 GLN HA H 117 5.170 5.027 0.143 1
1 1437 . 19 1 1 A 117 117 GLN CB C 117 31.166 31.153 0.013 1
1 1444 . 19 1 1 A 117 117 GLN C C 117 174.229 174.113 0.116 1
1 1447 . 19 1 1 A 118 118 GLU N N 118 125.633 126.402 -0.769 1
1 1448 . 19 1 1 A 118 118 GLU H H 118 8.960 8.733 0.227 1
1 1449 . 19 1 1 A 118 118 GLU CA C 118 54.799 55.013 -0.214 1
1 1450 . 19 1 1 A 118 118 GLU HA H 118 4.869 5.032 -0.163 1
1 1451 . 19 1 1 A 118 118 GLU CB C 118 33.675 32.262 1.413 1
1 1455 . 19 1 1 A 118 118 GLU C C 118 174.340 175.238 -0.898 1
1 1458 . 19 1 1 A 119 119 ILE N N 119 123.525 124.465 -0.940 1
1 1459 . 19 1 1 A 119 119 ILE H H 119 8.683 9.015 -0.332 1
1 1460 . 19 1 1 A 119 119 ILE CA C 119 60.005 59.915 0.090 1
1 1461 . 19 1 1 A 119 119 ILE HA H 119 5.157 4.731 0.426 1
1 1462 . 19 1 1 A 119 119 ILE CB C 119 40.761 39.697 1.064 1
1 1474 . 19 1 1 A 119 119 ILE C C 119 175.386 175.455 -0.069 1
1 1476 . 19 1 1 A 120 120 PHE N N 120 122.954 123.837 -0.883 1
1 1477 . 19 1 1 A 120 120 PHE H H 120 8.647 8.247 0.400 1
1 1478 . 19 1 1 A 120 120 PHE CA C 120 55.754 55.371 0.383 1
1 1479 . 19 1 1 A 120 120 PHE HA H 120 5.064 5.417 -0.353 1
1 1480 . 19 1 1 A 120 120 PHE CB C 120 39.904 42.535 -2.631 1
1 1492 . 19 1 1 A 120 120 PHE C C 120 172.536 172.539 -0.003 1
1 1494 . 19 1 1 A 121 121 GLU N N 121 120.205 119.311 0.894 1
1 1495 . 19 1 1 A 121 121 GLU H H 121 8.807 8.853 -0.046 1
1 1496 . 19 1 1 A 121 121 GLU CA C 121 54.976 54.767 0.209 1
1 1497 . 19 1 1 A 121 121 GLU HA H 121 4.795 5.001 -0.206 1
1 1498 . 19 1 1 A 121 121 GLU CB C 121 31.537 33.247 -1.710 1
1 1502 . 19 1 1 A 121 121 GLU C C 121 175.979 175.727 0.252 1
1 1505 . 19 1 1 A 122 122 VAL N N 122 124.567 124.605 -0.038 1
1 1506 . 19 1 1 A 122 122 VAL H H 122 8.818 8.732 0.086 1
1 1507 . 19 1 1 A 122 122 VAL CA C 122 62.536 63.318 -0.782 1
1 1508 . 19 1 1 A 122 122 VAL HA H 122 4.300 4.204 0.096 1
1 1509 . 19 1 1 A 122 122 VAL CB C 122 32.136 30.798 1.338 1
1 1519 . 19 1 1 A 122 122 VAL C C 122 175.324 176.512 -1.188 1
1 1520 . 19 1 1 A 123 123 ASN N N 123 125.013 124.544 0.469 1
1 1521 . 19 1 1 A 123 123 ASN H H 123 8.770 8.773 -0.003 1
1 1522 . 19 1 1 A 123 123 ASN CA C 123 52.889 53.288 -0.399 1
1 1523 . 19 1 1 A 123 123 ASN HA H 123 5.072 4.857 0.215 1
1 1524 . 19 1 1 A 123 123 ASN CB C 123 40.114 39.179 0.935 1
1 1529 . 19 1 1 A 123 123 ASN C C 123 174.799 175.704 -0.905 1
1 1531 . 19 1 1 A 124 124 ASN N N 124 117.247 117.076 0.171 1
1 1532 . 19 1 1 A 124 124 ASN H H 124 8.599 7.993 0.606 1
1 1533 . 19 1 1 A 124 124 ASN CA C 124 52.853 52.146 0.707 1
1 1534 . 19 1 1 A 124 124 ASN HA H 124 4.721 4.914 -0.193 1
1 1535 . 19 1 1 A 124 124 ASN CB C 124 36.882 38.137 -1.255 1
1 1540 . 19 1 1 A 124 124 ASN C C 124 174.437 175.317 -0.880 1
1 1542 . 19 1 1 A 125 125 LEU N N 125 119.273 121.814 -2.541 1
1 1543 . 19 1 1 A 125 125 LEU H H 125 8.105 7.379 0.726 1
1 1544 . 19 1 1 A 125 125 LEU CA C 125 53.787 53.533 0.254 1
1 1545 . 19 1 1 A 125 125 LEU HA H 125 4.187 4.556 -0.369 1
1 1546 . 19 1 1 A 125 125 LEU CB C 125 40.398 40.824 -0.426 1
1 1558 . 19 1 1 A 125 125 LEU C C 125 175.528 174.662 0.866 1
1 1560 . 19 1 1 A 126 126 PRO CA C 126 62.439 62.358 0.081 1
1 1561 . 19 1 1 A 126 126 PRO HA H 126 4.519 4.544 -0.025 1
1 1562 . 19 1 1 A 126 126 PRO CB C 126 31.210 33.007 -1.797 1
1 1568 . 19 1 1 A 126 126 PRO C C 126 179.073 175.789 3.284 1
1 1572 . 19 1 1 A 127 127 VAL N N 127 124.759 118.044 6.715 1
1 1573 . 19 1 1 A 127 127 VAL H H 127 8.794 8.016 0.778 1
1 1574 . 19 1 1 A 127 127 VAL CA C 127 64.360 62.928 1.432 1
1 1575 . 19 1 1 A 127 127 VAL HA H 127 3.216 4.093 -0.877 1
1 1576 . 19 1 1 A 127 127 VAL CB C 127 30.825 32.563 -1.738 1
1 1586 . 19 1 1 A 127 127 VAL C C 127 176.789 176.730 0.059 1
1 1587 . 19 1 1 A 128 128 GLU N N 128 119.892 121.938 -2.046 1
1 1588 . 19 1 1 A 128 128 GLU H H 128 9.460 8.123 1.337 1
1 1589 . 19 1 1 A 128 128 GLU CA C 128 59.216 59.441 -0.225 1
1 1590 . 19 1 1 A 128 128 GLU HA H 128 3.831 3.691 0.140 1
1 1591 . 19 1 1 A 128 128 GLU CB C 128 29.188 29.342 -0.154 1
1 1595 . 19 1 1 A 128 128 GLU C C 128 177.624 178.783 -1.159 1
1 1598 . 19 1 1 A 129 129 SER N N 129 112.727 114.885 -2.158 1
1 1599 . 19 1 1 A 129 129 SER H H 129 8.057 8.017 0.040 1
1 1600 . 19 1 1 A 129 129 SER CA C 129 61.024 61.175 -0.151 1
1 1601 . 19 1 1 A 129 129 SER HA H 129 3.925 4.237 -0.312 1
1 1602 . 19 1 1 A 129 129 SER CB C 129 64.440 62.082 2.358 1
1 1604 . 19 1 1 A 129 129 SER C C 129 173.147 175.619 -2.472 1
1 1606 . 19 1 1 A 130 130 TRP N N 130 117.092 118.415 -1.323 1
1 1607 . 19 1 1 A 130 130 TRP H H 130 7.184 7.502 -0.318 1
1 1608 . 19 1 1 A 130 130 TRP CA C 130 57.027 58.321 -1.294 1
1 1609 . 19 1 1 A 130 130 TRP HA H 130 4.974 4.830 0.144 1
1 1610 . 19 1 1 A 130 130 TRP CB C 130 31.384 30.823 0.561 1
1 1624 . 19 1 1 A 130 130 TRP C C 130 174.759 177.032 -2.273 1
1 1 . 20 1 1 A 6 6 SER CA C 6 58.371 56.195 2.176 1
1 2 . 20 1 1 A 6 6 SER HA H 6 4.533 5.218 -0.685 1
1 3 . 20 1 1 A 6 6 SER CB C 6 63.994 65.759 -1.765 1
1 5 . 20 1 1 A 6 6 SER C C 6 174.472 173.449 1.023 1
1 7 . 20 1 1 A 7 7 GLY N N 7 110.741 109.351 1.390 1
1 8 . 20 1 1 A 7 7 GLY H H 7 8.209 8.519 -0.310 1
1 9 . 20 1 1 A 7 7 GLY CA C 7 44.501 45.860 -1.359 1
1 10 . 20 1 1 A 7 7 GLY HA3 H 7 4.059 4.230 -0.171 1
1 11 . 20 1 1 A 7 7 GLY C C 7 171.084 171.939 -0.855 1
1 12 . 20 1 1 A 7 7 GLY HA2 H 7 4.155 4.229 -0.074 1
1 13 . 20 1 1 A 8 8 PRO CA C 8 61.515 62.177 -0.662 1
1 14 . 20 1 1 A 8 8 PRO HA H 8 4.713 4.638 0.075 1
1 15 . 20 1 1 A 8 8 PRO CB C 8 30.760 31.703 -0.943 1
1 24 . 20 1 1 A 9 9 PRO HA H 9 4.724 4.566 0.158 1
1 30 . 20 1 1 A 10 10 PRO CA C 10 62.761 62.425 0.336 1
1 31 . 20 1 1 A 10 10 PRO HA H 10 4.389 4.671 -0.282 1
1 32 . 20 1 1 A 10 10 PRO CB C 10 32.082 33.144 -1.062 1
1 37 . 20 1 1 A 10 10 PRO C C 10 176.236 175.332 0.904 1
1 41 . 20 1 1 A 11 11 ALA N N 11 125.926 121.814 4.112 1
1 42 . 20 1 1 A 11 11 ALA H H 11 8.352 8.175 0.177 1
1 43 . 20 1 1 A 11 11 ALA CA C 11 50.343 49.245 1.098 1
1 44 . 20 1 1 A 11 11 ALA HA H 11 4.583 4.800 -0.217 1
1 45 . 20 1 1 A 11 11 ALA CB C 11 18.255 20.155 -1.900 1
1 49 . 20 1 1 A 11 11 ALA C C 11 175.479 175.219 0.260 1
1 50 . 20 1 1 A 12 12 PRO CA C 12 62.757 62.220 0.537 1
1 51 . 20 1 1 A 12 12 PRO HA H 12 4.386 4.632 -0.246 1
1 52 . 20 1 1 A 12 12 PRO CB C 12 32.104 33.277 -1.173 1
1 57 . 20 1 1 A 12 12 PRO C C 12 176.478 175.246 1.232 1
1 61 . 20 1 1 A 13 13 ILE N N 13 124.607 121.014 3.593 1
1 62 . 20 1 1 A 13 13 ILE H H 13 8.661 8.279 0.382 1
1 63 . 20 1 1 A 13 13 ILE CA C 13 59.081 57.906 1.175 1
1 64 . 20 1 1 A 13 13 ILE HA H 13 4.288 4.755 -0.467 1
1 65 . 20 1 1 A 13 13 ILE CB C 13 39.710 40.109 -0.399 1
1 77 . 20 1 1 A 13 13 ILE C C 13 174.727 174.388 0.339 1
1 79 . 20 1 1 A 14 14 PRO CA C 14 63.433 62.265 1.168 1
1 80 . 20 1 1 A 14 14 PRO HA H 14 4.457 4.642 -0.185 1
1 81 . 20 1 1 A 14 14 PRO CB C 14 32.428 32.617 -0.189 1
1 86 . 20 1 1 A 14 14 PRO C C 14 175.380 176.351 -0.971 1
1 90 . 20 1 1 A 15 15 ASP N N 15 118.741 119.556 -0.815 1
1 91 . 20 1 1 A 15 15 ASP H H 15 8.042 8.531 -0.489 1
1 92 . 20 1 1 A 15 15 ASP CA C 15 54.213 53.052 1.161 1
1 93 . 20 1 1 A 15 15 ASP HA H 15 5.064 4.871 0.193 1
1 94 . 20 1 1 A 15 15 ASP CB C 15 41.793 41.809 -0.016 1
1 96 . 20 1 1 A 15 15 ASP C C 15 176.413 175.320 1.093 1
1 98 . 20 1 1 A 16 16 LEU N N 16 121.451 122.433 -0.982 1
1 99 . 20 1 1 A 16 16 LEU H H 16 9.016 8.894 0.122 1
1 100 . 20 1 1 A 16 16 LEU CA C 16 53.914 53.968 -0.054 1
1 101 . 20 1 1 A 16 16 LEU HA H 16 4.847 5.105 -0.258 1
1 102 . 20 1 1 A 16 16 LEU CB C 16 48.283 46.449 1.834 1
1 114 . 20 1 1 A 16 16 LEU C C 16 174.915 173.675 1.240 1
1 116 . 20 1 1 A 17 17 LYS N N 17 130.346 126.849 3.497 1
1 117 . 20 1 1 A 17 17 LYS H H 17 8.937 8.901 0.036 1
1 118 . 20 1 1 A 17 17 LYS CA C 17 57.027 56.027 1.000 1
1 119 . 20 1 1 A 17 17 LYS HA H 17 4.821 4.525 0.296 1
1 120 . 20 1 1 A 17 17 LYS CB C 17 31.991 33.437 -1.446 1
1 128 . 20 1 1 A 17 17 LYS C C 17 177.744 176.422 1.322 1
1 133 . 20 1 1 A 18 18 VAL N N 18 116.605 121.355 -4.750 1
1 134 . 20 1 1 A 18 18 VAL H H 18 8.228 8.357 -0.129 1
1 135 . 20 1 1 A 18 18 VAL CA C 18 60.586 61.984 -1.398 1
1 136 . 20 1 1 A 18 18 VAL HA H 18 4.807 4.373 0.434 1
1 137 . 20 1 1 A 18 18 VAL CB C 18 33.601 34.016 -0.415 1
1 147 . 20 1 1 A 18 18 VAL C C 18 174.118 175.302 -1.184 1
1 148 . 20 1 1 A 19 19 PHE N N 19 120.586 121.102 -0.516 1
1 149 . 20 1 1 A 19 19 PHE H H 19 7.429 7.039 0.390 1
1 150 . 20 1 1 A 19 19 PHE CA C 19 57.947 56.757 1.190 1
1 151 . 20 1 1 A 19 19 PHE HA H 19 4.544 4.445 0.099 1
1 152 . 20 1 1 A 19 19 PHE CB C 19 43.455 42.428 1.027 1
1 162 . 20 1 1 A 19 19 PHE C C 19 172.947 173.097 -0.150 1
1 164 . 20 1 1 A 20 20 GLU N N 20 126.790 126.814 -0.024 1
1 165 . 20 1 1 A 20 20 GLU H H 20 7.620 8.179 -0.559 1
1 166 . 20 1 1 A 20 20 GLU CA C 20 55.117 54.869 0.248 1
1 167 . 20 1 1 A 20 20 GLU HA H 20 5.059 4.916 0.143 1
1 168 . 20 1 1 A 20 20 GLU CB C 20 32.091 32.699 -0.608 1
1 172 . 20 1 1 A 20 20 GLU C C 20 174.073 174.149 -0.076 1
1 175 . 20 1 1 A 21 21 ARG N N 21 125.153 126.240 -1.087 1
1 176 . 20 1 1 A 21 21 ARG H H 21 8.806 9.180 -0.374 1
1 177 . 20 1 1 A 21 21 ARG CA C 21 56.532 54.014 2.518 1
1 178 . 20 1 1 A 21 21 ARG HA H 21 4.234 4.806 -0.572 1
1 179 . 20 1 1 A 21 21 ARG CB C 21 33.707 33.607 0.100 1
1 185 . 20 1 1 A 21 21 ARG C C 21 176.293 177.200 -0.907 1
1 189 . 20 1 1 A 22 22 GLU N N 22 132.286 124.066 8.220 1
1 190 . 20 1 1 A 22 22 GLU H H 22 9.887 8.832 1.055 1
1 191 . 20 1 1 A 22 22 GLU CA C 22 57.271 58.736 -1.465 1
1 192 . 20 1 1 A 22 22 GLU HA H 22 3.968 4.092 -0.124 1
1 193 . 20 1 1 A 22 22 GLU CB C 22 28.595 29.059 -0.464 1
1 197 . 20 1 1 A 22 22 GLU C C 22 175.219 176.922 -1.703 1
1 200 . 20 1 1 A 23 23 GLY N N 23 103.445 108.031 -4.586 1
1 201 . 20 1 1 A 23 23 GLY H H 23 8.570 7.990 0.580 1
1 202 . 20 1 1 A 23 23 GLY CA C 23 45.698 45.776 -0.078 1
1 203 . 20 1 1 A 23 23 GLY HA3 H 23 4.242 4.270 -0.028 1
1 204 . 20 1 1 A 23 23 GLY C C 23 173.517 174.142 -0.625 1
1 205 . 20 1 1 A 23 23 GLY HA2 H 23 3.658 4.227 -0.569 1
1 206 . 20 1 1 A 24 24 VAL N N 24 124.489 120.331 4.158 1
1 207 . 20 1 1 A 24 24 VAL H H 24 8.016 7.702 0.314 1
1 208 . 20 1 1 A 24 24 VAL CA C 24 61.341 62.776 -1.435 1
1 209 . 20 1 1 A 24 24 VAL HA H 24 4.780 4.281 0.499 1
1 210 . 20 1 1 A 24 24 VAL CB C 24 32.051 32.711 -0.660 1
1 220 . 20 1 1 A 24 24 VAL C C 24 175.459 175.409 0.050 1
1 221 . 20 1 1 A 25 25 GLN N N 25 123.296 127.023 -3.727 1
1 222 . 20 1 1 A 25 25 GLN H H 25 8.446 9.033 -0.587 1
1 223 . 20 1 1 A 25 25 GLN CA C 25 53.879 54.461 -0.582 1
1 224 . 20 1 1 A 25 25 GLN HA H 25 5.378 5.235 0.143 1
1 225 . 20 1 1 A 25 25 GLN CB C 25 33.065 32.301 0.764 1
1 232 . 20 1 1 A 25 25 GLN C C 25 174.348 174.084 0.264 1
1 235 . 20 1 1 A 26 26 LEU N N 26 120.847 126.206 -5.359 1
1 236 . 20 1 1 A 26 26 LEU H H 26 8.579 9.295 -0.716 1
1 237 . 20 1 1 A 26 26 LEU CA C 26 53.914 53.560 0.354 1
1 238 . 20 1 1 A 26 26 LEU HA H 26 5.400 5.180 0.220 1
1 239 . 20 1 1 A 26 26 LEU CB C 26 47.336 45.820 1.516 1
1 251 . 20 1 1 A 26 26 LEU C C 26 174.842 175.110 -0.268 1
1 253 . 20 1 1 A 27 27 ASN N N 27 124.346 124.995 -0.649 1
1 254 . 20 1 1 A 27 27 ASN H H 27 8.738 8.736 0.002 1
1 255 . 20 1 1 A 27 27 ASN CA C 27 52.063 51.661 0.402 1
1 256 . 20 1 1 A 27 27 ASN HA H 27 5.542 5.396 0.146 1
1 257 . 20 1 1 A 27 27 ASN CB C 27 43.866 41.476 2.390 1
1 262 . 20 1 1 A 27 27 ASN C C 27 173.520 174.075 -0.555 1
1 264 . 20 1 1 A 28 28 LEU N N 28 124.198 124.994 -0.796 1
1 265 . 20 1 1 A 28 28 LEU H H 28 9.406 9.220 0.186 1
1 266 . 20 1 1 A 28 28 LEU CA C 28 53.773 53.255 0.518 1
1 267 . 20 1 1 A 28 28 LEU HA H 28 4.995 5.268 -0.273 1
1 268 . 20 1 1 A 28 28 LEU CB C 28 44.307 46.265 -1.958 1
1 280 . 20 1 1 A 28 28 LEU C C 28 174.670 174.540 0.130 1
1 282 . 20 1 1 A 29 29 SER N N 29 115.017 122.419 -7.402 1
1 283 . 20 1 1 A 29 29 SER H H 29 8.314 8.078 0.236 1
1 284 . 20 1 1 A 29 29 SER CA C 29 56.340 56.896 -0.556 1
1 285 . 20 1 1 A 29 29 SER HA H 29 4.807 5.118 -0.311 1
1 286 . 20 1 1 A 29 29 SER CB C 29 65.926 65.931 -0.005 1
1 288 . 20 1 1 A 29 29 SER C C 29 172.842 172.611 0.231 1
1 290 . 20 1 1 A 30 30 PHE N N 30 119.941 122.866 -2.925 1
1 291 . 20 1 1 A 30 30 PHE H H 30 9.366 8.878 0.488 1
1 292 . 20 1 1 A 30 30 PHE CA C 30 57.047 56.358 0.689 1
1 293 . 20 1 1 A 30 30 PHE HA H 30 5.374 5.271 0.103 1
1 294 . 20 1 1 A 30 30 PHE CB C 30 44.307 41.695 2.612 1
1 306 . 20 1 1 A 30 30 PHE C C 30 175.242 175.093 0.149 1
1 308 . 20 1 1 A 31 31 ILE N N 31 122.161 122.464 -0.303 1
1 309 . 20 1 1 A 31 31 ILE H H 31 8.950 8.665 0.285 1
1 310 . 20 1 1 A 31 31 ILE CA C 31 60.680 60.570 0.110 1
1 311 . 20 1 1 A 31 31 ILE HA H 31 4.338 4.888 -0.550 1
1 312 . 20 1 1 A 31 31 ILE CB C 31 42.354 40.813 1.541 1
1 324 . 20 1 1 A 31 31 ILE C C 31 174.368 175.070 -0.702 1
1 326 . 20 1 1 A 32 32 ARG N N 32 128.976 127.583 1.393 1
1 327 . 20 1 1 A 32 32 ARG H H 32 8.773 8.911 -0.138 1
1 328 . 20 1 1 A 32 32 ARG CA C 32 51.444 52.947 -1.503 1
1 329 . 20 1 1 A 32 32 ARG HA H 32 5.263 4.959 0.304 1
1 330 . 20 1 1 A 32 32 ARG CB C 32 29.600 31.270 -1.670 1
1 338 . 20 1 1 A 32 32 ARG C C 32 173.585 173.794 -0.209 1
1 342 . 20 1 1 A 33 33 PRO CA C 33 60.759 61.910 -1.151 1
1 343 . 20 1 1 A 33 33 PRO HA H 33 4.581 4.669 -0.088 1
1 344 . 20 1 1 A 33 33 PRO CB C 33 32.219 32.554 -0.335 1
1 353 . 20 1 1 A 34 34 PRO CA C 34 64.464 65.226 -0.762 1
1 354 . 20 1 1 A 34 34 PRO HA H 34 4.236 4.226 0.010 1
1 355 . 20 1 1 A 34 34 PRO CB C 34 31.997 32.056 -0.059 1
1 361 . 20 1 1 A 34 34 PRO C C 34 178.240 178.549 -0.309 1
1 365 . 20 1 1 A 35 35 GLU N N 35 115.025 116.276 -1.251 1
1 366 . 20 1 1 A 35 35 GLU H H 35 9.287 8.892 0.395 1
1 367 . 20 1 1 A 35 35 GLU CA C 35 57.753 58.914 -1.161 1
1 368 . 20 1 1 A 35 35 GLU HA H 35 4.205 4.126 0.079 1
1 369 . 20 1 1 A 35 35 GLU CB C 35 28.595 28.830 -0.235 1
1 373 . 20 1 1 A 35 35 GLU C C 35 176.471 177.002 -0.531 1
1 376 . 20 1 1 A 36 36 ASN N N 36 114.302 117.996 -3.694 1
1 377 . 20 1 1 A 36 36 ASN H H 36 7.257 7.910 -0.653 1
1 378 . 20 1 1 A 36 36 ASN CA C 36 50.593 50.246 0.347 1
1 379 . 20 1 1 A 36 36 ASN HA H 36 5.024 5.176 -0.152 1
1 380 . 20 1 1 A 36 36 ASN CB C 36 39.094 38.928 0.166 1
1 385 . 20 1 1 A 36 36 ASN C C 36 172.128 173.469 -1.341 1
1 387 . 20 1 1 A 37 37 PRO CA C 37 64.287 64.544 -0.257 1
1 388 . 20 1 1 A 37 37 PRO HA H 37 4.600 4.403 0.197 1
1 389 . 20 1 1 A 37 37 PRO CB C 37 32.235 31.950 0.285 1
1 394 . 20 1 1 A 37 37 PRO C C 37 176.707 177.821 -1.114 1
1 398 . 20 1 1 A 38 38 ALA N N 38 117.780 118.047 -0.267 1
1 399 . 20 1 1 A 38 38 ALA H H 38 7.596 7.937 -0.341 1
1 400 . 20 1 1 A 38 38 ALA CA C 38 52.674 52.736 -0.062 1
1 401 . 20 1 1 A 38 38 ALA HA H 38 4.262 4.412 -0.150 1
1 402 . 20 1 1 A 38 38 ALA CB C 38 19.201 19.508 -0.307 1
1 406 . 20 1 1 A 38 38 ALA C C 38 176.546 177.133 -0.587 1
1 407 . 20 1 1 A 39 39 LEU N N 39 122.870 121.239 1.631 1
1 408 . 20 1 1 A 39 39 LEU H H 39 7.963 7.199 0.764 1
1 409 . 20 1 1 A 39 39 LEU CA C 39 54.548 54.043 0.505 1
1 410 . 20 1 1 A 39 39 LEU HA H 39 4.953 4.979 -0.026 1
1 411 . 20 1 1 A 39 39 LEU CB C 39 44.768 44.799 -0.031 1
1 423 . 20 1 1 A 39 39 LEU C C 39 173.627 175.611 -1.984 1
1 425 . 20 1 1 A 40 40 LEU N N 40 125.985 127.582 -1.597 1
1 426 . 20 1 1 A 40 40 LEU H H 40 9.247 8.849 0.398 1
1 427 . 20 1 1 A 40 40 LEU CA C 40 53.914 53.907 0.007 1
1 428 . 20 1 1 A 40 40 LEU HA H 40 5.018 5.047 -0.029 1
1 429 . 20 1 1 A 40 40 LEU CB C 40 45.014 44.731 0.283 1
1 441 . 20 1 1 A 40 40 LEU C C 40 174.170 174.761 -0.591 1
1 443 . 20 1 1 A 41 41 LEU N N 41 125.906 128.878 -2.972 1
1 444 . 20 1 1 A 41 41 LEU H H 41 9.224 8.870 0.354 1
1 445 . 20 1 1 A 41 41 LEU CA C 41 53.190 54.030 -0.840 1
1 446 . 20 1 1 A 41 41 LEU HA H 41 5.222 4.984 0.238 1
1 447 . 20 1 1 A 41 41 LEU CB C 41 42.034 41.552 0.482 1
1 459 . 20 1 1 A 41 41 LEU C C 41 177.109 176.110 0.999 1
1 461 . 20 1 1 A 42 42 ILE N N 42 124.731 126.347 -1.616 1
1 462 . 20 1 1 A 42 42 ILE H H 42 9.087 8.871 0.216 1
1 463 . 20 1 1 A 42 42 ILE CA C 42 59.794 60.337 -0.543 1
1 464 . 20 1 1 A 42 42 ILE HA H 42 5.055 4.845 0.210 1
1 465 . 20 1 1 A 42 42 ILE CB C 42 41.019 39.281 1.738 1
1 477 . 20 1 1 A 42 42 ILE C C 42 175.074 175.291 -0.217 1
1 479 . 20 1 1 A 43 43 THR N N 43 123.315 122.360 0.955 1
1 480 . 20 1 1 A 43 43 THR H H 43 8.589 8.481 0.108 1
1 481 . 20 1 1 A 43 43 THR CA C 43 61.677 61.332 0.345 1
1 482 . 20 1 1 A 43 43 THR HA H 43 5.023 5.522 -0.499 1
1 483 . 20 1 1 A 43 43 THR CB C 43 69.838 72.613 -2.775 1
1 489 . 20 1 1 A 43 43 THR C C 43 174.993 173.387 1.606 1
1 490 . 20 1 1 A 44 44 ILE N N 44 126.677 124.559 2.118 1
1 491 . 20 1 1 A 44 44 ILE H H 44 9.329 9.123 0.206 1
1 492 . 20 1 1 A 44 44 ILE CA C 44 59.794 59.759 0.035 1
1 493 . 20 1 1 A 44 44 ILE HA H 44 4.953 5.065 -0.112 1
1 494 . 20 1 1 A 44 44 ILE CB C 44 38.754 40.945 -2.191 1
1 506 . 20 1 1 A 44 44 ILE C C 44 174.670 175.086 -0.416 1
1 508 . 20 1 1 A 45 45 THR N N 45 120.442 123.482 -3.040 1
1 509 . 20 1 1 A 45 45 THR H H 45 8.740 8.871 -0.131 1
1 510 . 20 1 1 A 45 45 THR CA C 45 61.579 61.444 0.135 1
1 511 . 20 1 1 A 45 45 THR HA H 45 5.266 4.838 0.428 1
1 512 . 20 1 1 A 45 45 THR CB C 45 70.338 70.149 0.189 1
1 518 . 20 1 1 A 45 45 THR C C 45 174.494 173.420 1.074 1
1 519 . 20 1 1 A 46 46 ALA N N 46 134.267 129.772 4.495 1
1 520 . 20 1 1 A 46 46 ALA H H 46 9.489 8.404 1.085 1
1 521 . 20 1 1 A 46 46 ALA CA C 46 49.846 51.011 -1.165 1
1 522 . 20 1 1 A 46 46 ALA HA H 46 5.554 4.840 0.714 1
1 523 . 20 1 1 A 46 46 ALA CB C 46 20.414 20.103 0.311 1
1 527 . 20 1 1 A 46 46 ALA C C 46 174.819 177.136 -2.317 1
1 528 . 20 1 1 A 47 47 THR N N 47 111.611 115.174 -3.563 1
1 529 . 20 1 1 A 47 47 THR H H 47 8.431 8.728 -0.297 1
1 530 . 20 1 1 A 47 47 THR CA C 47 59.331 59.807 -0.476 1
1 531 . 20 1 1 A 47 47 THR HA H 47 4.409 5.228 -0.819 1
1 532 . 20 1 1 A 47 47 THR CB C 47 71.655 71.081 0.574 1
1 538 . 20 1 1 A 47 47 THR C C 47 173.104 173.252 -0.148 1
1 539 . 20 1 1 A 48 48 ASN N N 48 117.087 121.796 -4.709 1
1 540 . 20 1 1 A 48 48 ASN H H 48 8.647 8.488 0.159 1
1 541 . 20 1 1 A 48 48 ASN CA C 48 51.019 52.195 -1.176 1
1 542 . 20 1 1 A 48 48 ASN HA H 48 5.096 5.164 -0.068 1
1 543 . 20 1 1 A 48 48 ASN CB C 48 39.880 40.497 -0.617 1
1 548 . 20 1 1 A 48 48 ASN C C 48 173.769 174.790 -1.021 1
1 550 . 20 1 1 A 49 49 PHE N N 49 123.238 124.440 -1.202 1
1 551 . 20 1 1 A 49 49 PHE H H 49 9.105 8.245 0.860 1
1 552 . 20 1 1 A 49 49 PHE CA C 49 57.422 58.255 -0.833 1
1 553 . 20 1 1 A 49 49 PHE HA H 49 4.601 4.703 -0.102 1
1 554 . 20 1 1 A 49 49 PHE CB C 49 38.770 39.904 -1.134 1
1 566 . 20 1 1 A 49 49 PHE C C 49 176.238 175.628 0.610 1
1 568 . 20 1 1 A 50 50 SER N N 50 118.477 114.511 3.966 1
1 569 . 20 1 1 A 50 50 SER H H 50 8.344 7.523 0.821 1
1 570 . 20 1 1 A 50 50 SER CA C 50 58.654 58.357 0.297 1
1 571 . 20 1 1 A 50 50 SER HA H 50 4.933 4.509 0.424 1
1 572 . 20 1 1 A 50 50 SER CB C 50 66.611 64.993 1.618 1
1 573 . 20 1 1 A 50 50 SER C C 50 173.089 175.657 -2.568 1
1 574 . 20 1 1 A 51 51 GLU N N 51 114.036 118.615 -4.579 1
1 575 . 20 1 1 A 51 51 GLU H H 51 9.051 9.102 -0.051 1
1 576 . 20 1 1 A 51 51 GLU CA C 51 56.701 55.977 0.724 1
1 577 . 20 1 1 A 51 51 GLU HA H 51 4.358 4.476 -0.118 1
1 578 . 20 1 1 A 51 51 GLU CB C 51 30.323 29.281 1.042 1
1 582 . 20 1 1 A 51 51 GLU C C 51 175.603 175.630 -0.027 1
1 585 . 20 1 1 A 52 52 GLY N N 52 109.625 109.193 0.432 1
1 586 . 20 1 1 A 52 52 GLY H H 52 8.525 7.558 0.967 1
1 587 . 20 1 1 A 52 52 GLY CA C 52 44.267 44.847 -0.580 1
1 588 . 20 1 1 A 52 52 GLY HA3 H 52 4.505 3.790 0.715 1
1 589 . 20 1 1 A 52 52 GLY C C 52 173.168 172.812 0.356 1
1 590 . 20 1 1 A 52 52 GLY HA2 H 52 2.842 3.272 -0.430 1
1 591 . 20 1 1 A 53 53 ASP N N 53 125.175 125.684 -0.509 1
1 592 . 20 1 1 A 53 53 ASP H H 53 9.001 8.664 0.337 1
1 593 . 20 1 1 A 53 53 ASP CA C 53 55.793 55.363 0.430 1
1 594 . 20 1 1 A 53 53 ASP HA H 53 4.082 4.528 -0.446 1
1 595 . 20 1 1 A 53 53 ASP CB C 53 40.522 41.442 -0.920 1
1 597 . 20 1 1 A 53 53 ASP C C 53 176.506 175.841 0.665 1
1 599 . 20 1 1 A 54 54 VAL N N 54 125.250 121.731 3.519 1
1 600 . 20 1 1 A 54 54 VAL H H 54 7.873 8.125 -0.252 1
1 601 . 20 1 1 A 54 54 VAL CA C 54 61.350 61.190 0.160 1
1 602 . 20 1 1 A 54 54 VAL HA H 54 4.759 4.762 -0.003 1
1 603 . 20 1 1 A 54 54 VAL CB C 54 32.808 33.178 -0.370 1
1 613 . 20 1 1 A 54 54 VAL C C 54 176.126 175.694 0.432 1
1 614 . 20 1 1 A 55 55 THR N N 55 116.888 117.356 -0.468 1
1 615 . 20 1 1 A 55 55 THR H H 55 9.004 8.585 0.419 1
1 616 . 20 1 1 A 55 55 THR CA C 55 59.194 60.031 -0.837 1
1 617 . 20 1 1 A 55 55 THR HA H 55 4.920 4.985 -0.065 1
1 618 . 20 1 1 A 55 55 THR CB C 55 72.508 71.573 0.935 1
1 624 . 20 1 1 A 55 55 THR C C 55 173.166 174.094 -0.928 1
1 625 . 20 1 1 A 56 56 HIS N N 56 115.667 120.209 -4.542 1
1 626 . 20 1 1 A 56 56 HIS H H 56 9.193 9.032 0.161 1
1 627 . 20 1 1 A 56 56 HIS CA C 56 56.363 56.695 -0.332 1
1 628 . 20 1 1 A 56 56 HIS HA H 56 4.153 4.258 -0.105 1
1 629 . 20 1 1 A 56 56 HIS CB C 56 26.923 28.033 -1.110 1
1 635 . 20 1 1 A 56 56 HIS C C 56 173.611 175.211 -1.600 1
1 637 . 20 1 1 A 57 57 PHE N N 57 118.625 119.153 -0.528 1
1 638 . 20 1 1 A 57 57 PHE H H 57 8.932 8.058 0.874 1
1 639 . 20 1 1 A 57 57 PHE CA C 57 59.503 57.170 2.333 1
1 640 . 20 1 1 A 57 57 PHE HA H 57 4.819 4.650 0.169 1
1 641 . 20 1 1 A 57 57 PHE CB C 57 39.871 39.401 0.470 1
1 653 . 20 1 1 A 57 57 PHE C C 57 176.025 174.265 1.760 1
1 655 . 20 1 1 A 58 58 ILE N N 58 131.418 128.180 3.238 1
1 656 . 20 1 1 A 58 58 ILE H H 58 8.989 8.990 -0.001 1
1 657 . 20 1 1 A 58 58 ILE CA C 58 61.138 60.050 1.088 1
1 658 . 20 1 1 A 58 58 ILE HA H 58 4.001 4.615 -0.614 1
1 659 . 20 1 1 A 58 58 ILE CB C 58 41.349 40.020 1.329 1
1 671 . 20 1 1 A 58 58 ILE C C 58 173.046 173.978 -0.932 1
1 673 . 20 1 1 A 59 59 CYS N N 59 126.838 128.008 -1.170 1
1 674 . 20 1 1 A 59 59 CYS H H 59 8.844 8.895 -0.051 1
1 675 . 20 1 1 A 59 59 CYS CA C 59 56.902 56.827 0.075 1
1 676 . 20 1 1 A 59 59 CYS HA H 59 5.044 5.193 -0.149 1
1 677 . 20 1 1 A 59 59 CYS CB C 59 28.363 29.724 -1.361 1
1 679 . 20 1 1 A 59 59 CYS C C 59 173.375 173.479 -0.104 1
1 681 . 20 1 1 A 60 60 GLN N N 60 126.903 126.342 0.561 1
1 682 . 20 1 1 A 60 60 GLN H H 60 8.929 8.523 0.406 1
1 683 . 20 1 1 A 60 60 GLN CA C 60 54.162 54.649 -0.487 1
1 684 . 20 1 1 A 60 60 GLN HA H 60 4.656 5.066 -0.410 1
1 685 . 20 1 1 A 60 60 GLN CB C 60 31.991 31.586 0.405 1
1 691 . 20 1 1 A 60 60 GLN C C 60 174.000 174.899 -0.899 1
1 694 . 20 1 1 A 61 61 ALA N N 61 124.049 121.391 2.658 1
1 695 . 20 1 1 A 61 61 ALA H H 61 8.178 8.708 -0.530 1
1 696 . 20 1 1 A 61 61 ALA CA C 61 50.160 51.249 -1.089 1
1 697 . 20 1 1 A 61 61 ALA HA H 61 5.192 5.207 -0.015 1
1 698 . 20 1 1 A 61 61 ALA CB C 61 23.419 24.111 -0.692 1
1 702 . 20 1 1 A 61 61 ALA C C 61 175.076 175.241 -0.165 1
1 703 . 20 1 1 A 62 62 ALA N N 62 121.362 120.006 1.356 1
1 704 . 20 1 1 A 62 62 ALA H H 62 8.488 8.400 0.088 1
1 705 . 20 1 1 A 62 62 ALA CA C 62 51.309 51.542 -0.233 1
1 706 . 20 1 1 A 62 62 ALA HA H 62 4.667 4.985 -0.318 1
1 707 . 20 1 1 A 62 62 ALA CB C 62 22.617 22.785 -0.168 1
1 711 . 20 1 1 A 62 62 ALA C C 62 176.013 176.040 -0.027 1
1 712 . 20 1 1 A 63 63 VAL N N 63 113.572 116.010 -2.438 1
1 713 . 20 1 1 A 63 63 VAL H H 63 8.271 8.674 -0.403 1
1 714 . 20 1 1 A 63 63 VAL CA C 63 57.691 57.899 -0.208 1
1 715 . 20 1 1 A 63 63 VAL HA H 63 5.045 4.970 0.075 1
1 716 . 20 1 1 A 63 63 VAL CB C 63 32.968 34.108 -1.140 1
1 726 . 20 1 1 A 63 63 VAL C C 63 173.707 173.536 0.171 1
1 727 . 20 1 1 A 64 64 PRO CA C 64 62.757 62.536 0.221 1
1 728 . 20 1 1 A 64 64 PRO HA H 64 4.459 4.614 -0.155 1
1 729 . 20 1 1 A 64 64 PRO CB C 64 32.728 32.670 0.058 1
1 735 . 20 1 1 A 64 64 PRO C C 64 176.348 178.125 -1.777 1
1 739 . 20 1 1 A 65 65 LYS N N 65 118.624 122.858 -4.234 1
1 740 . 20 1 1 A 65 65 LYS H H 65 8.323 8.556 -0.233 1
1 741 . 20 1 1 A 65 65 LYS CA C 65 58.516 58.929 -0.413 1
1 742 . 20 1 1 A 65 65 LYS HA H 65 4.183 4.013 0.170 1
1 743 . 20 1 1 A 65 65 LYS CB C 65 32.320 31.844 0.476 1
1 751 . 20 1 1 A 65 65 LYS C C 65 176.595 178.285 -1.690 1
1 756 . 20 1 1 A 66 66 SER N N 66 111.762 113.501 -1.739 1
1 757 . 20 1 1 A 66 66 SER H H 66 7.779 7.889 -0.110 1
1 758 . 20 1 1 A 66 66 SER CA C 66 59.298 61.424 -2.126 1
1 759 . 20 1 1 A 66 66 SER HA H 66 4.234 4.197 0.037 1
1 760 . 20 1 1 A 66 66 SER CB C 66 62.984 62.299 0.685 1
1 762 . 20 1 1 A 66 66 SER C C 66 174.137 174.959 -0.822 1
1 764 . 20 1 1 A 67 67 LEU N N 67 124.569 120.510 4.059 1
1 765 . 20 1 1 A 67 67 LEU H H 67 8.109 7.903 0.206 1
1 766 . 20 1 1 A 67 67 LEU CA C 67 54.940 53.068 1.872 1
1 767 . 20 1 1 A 67 67 LEU HA H 67 4.836 4.997 -0.161 1
1 768 . 20 1 1 A 67 67 LEU CB C 67 43.882 44.710 -0.828 1
1 780 . 20 1 1 A 67 67 LEU C C 67 174.925 175.580 -0.655 1
1 782 . 20 1 1 A 68 68 GLN N N 68 117.163 121.109 -3.946 1
1 783 . 20 1 1 A 68 68 GLN H H 68 8.063 8.827 -0.764 1
1 784 . 20 1 1 A 68 68 GLN CA C 68 54.829 54.327 0.502 1
1 785 . 20 1 1 A 68 68 GLN HA H 68 4.674 5.012 -0.338 1
1 786 . 20 1 1 A 68 68 GLN CB C 68 31.579 31.417 0.162 1
1 793 . 20 1 1 A 68 68 GLN C C 68 174.077 174.005 0.072 1
1 796 . 20 1 1 A 69 69 LEU N N 69 126.046 123.931 2.115 1
1 797 . 20 1 1 A 69 69 LEU H H 69 8.676 8.678 -0.002 1
1 798 . 20 1 1 A 69 69 LEU CA C 69 54.073 53.858 0.215 1
1 799 . 20 1 1 A 69 69 LEU HA H 69 5.231 5.202 0.029 1
1 800 . 20 1 1 A 69 69 LEU CB C 69 45.602 46.517 -0.915 1
1 811 . 20 1 1 A 69 69 LEU C C 69 175.497 174.380 1.117 1
1 813 . 20 1 1 A 70 70 GLN N N 70 126.758 124.451 2.307 1
1 814 . 20 1 1 A 70 70 GLN H H 70 9.410 8.819 0.591 1
1 815 . 20 1 1 A 70 70 GLN CA C 70 54.657 54.879 -0.222 1
1 816 . 20 1 1 A 70 70 GLN HA H 70 4.746 4.810 -0.064 1
1 817 . 20 1 1 A 70 70 GLN CB C 70 31.537 32.589 -1.052 1
1 824 . 20 1 1 A 70 70 GLN C C 70 174.686 174.062 0.624 1
1 827 . 20 1 1 A 71 71 LEU N N 71 126.413 128.251 -1.838 1
1 828 . 20 1 1 A 71 71 LEU H H 71 8.936 8.669 0.267 1
1 829 . 20 1 1 A 71 71 LEU CA C 71 55.294 54.513 0.781 1
1 830 . 20 1 1 A 71 71 LEU HA H 71 4.752 4.581 0.171 1
1 831 . 20 1 1 A 71 71 LEU CB C 71 43.898 43.121 0.777 1
1 843 . 20 1 1 A 71 71 LEU C C 71 176.498 175.159 1.339 1
1 845 . 20 1 1 A 72 72 GLN N N 72 121.553 127.295 -5.742 1
1 846 . 20 1 1 A 72 72 GLN H H 72 8.100 7.952 0.148 1
1 847 . 20 1 1 A 72 72 GLN CA C 72 54.209 54.410 -0.201 1
1 848 . 20 1 1 A 72 72 GLN HA H 72 4.589 4.581 0.008 1
1 849 . 20 1 1 A 72 72 GLN CB C 72 31.142 30.398 0.744 1
1 856 . 20 1 1 A 72 72 GLN C C 72 174.254 175.481 -1.227 1
1 859 . 20 1 1 A 73 73 ALA N N 73 124.262 126.996 -2.734 1
1 860 . 20 1 1 A 73 73 ALA H H 73 8.452 8.406 0.046 1
1 861 . 20 1 1 A 73 73 ALA CA C 73 51.211 50.655 0.556 1
1 862 . 20 1 1 A 73 73 ALA HA H 73 4.500 4.210 0.290 1
1 863 . 20 1 1 A 73 73 ALA CB C 73 17.185 18.831 -1.646 1
1 867 . 20 1 1 A 73 73 ALA C C 73 176.548 175.837 0.711 1
1 868 . 20 1 1 A 74 74 PRO CA C 74 62.160 62.369 -0.209 1
1 869 . 20 1 1 A 74 74 PRO HA H 74 4.848 4.540 0.308 1
1 870 . 20 1 1 A 74 74 PRO CB C 74 32.897 33.221 -0.324 1
1 874 . 20 1 1 A 74 74 PRO C C 74 177.266 176.343 0.923 1
1 878 . 20 1 1 A 75 75 SER N N 75 115.398 115.082 0.316 1
1 879 . 20 1 1 A 75 75 SER H H 75 9.293 8.786 0.507 1
1 880 . 20 1 1 A 75 75 SER CA C 75 61.024 58.965 2.059 1
1 881 . 20 1 1 A 75 75 SER HA H 75 4.154 4.553 -0.399 1
1 882 . 20 1 1 A 75 75 SER CB C 75 62.867 64.340 -1.473 1
1 884 . 20 1 1 A 75 75 SER C C 75 174.460 174.329 0.131 1
1 886 . 20 1 1 A 76 76 GLY N N 76 106.233 106.214 0.019 1
1 887 . 20 1 1 A 76 76 GLY H H 76 7.208 7.316 -0.108 1
1 888 . 20 1 1 A 76 76 GLY CA C 76 44.930 45.644 -0.714 1
1 889 . 20 1 1 A 76 76 GLY HA3 H 76 4.306 4.063 0.243 1
1 890 . 20 1 1 A 76 76 GLY C C 76 171.327 173.364 -2.037 1
1 891 . 20 1 1 A 76 76 GLY HA2 H 76 4.095 4.055 0.040 1
1 892 . 20 1 1 A 77 77 ASN CA C 77 53.060 52.858 0.202 1
1 893 . 20 1 1 A 77 77 ASN HA H 77 5.001 4.908 0.093 1
1 894 . 20 1 1 A 77 77 ASN CB C 77 40.650 40.284 0.366 1
1 899 . 20 1 1 A 77 77 ASN C C 77 173.427 174.090 -0.663 1
1 901 . 20 1 1 A 78 78 THR N N 78 114.705 115.706 -1.001 1
1 902 . 20 1 1 A 78 78 THR H H 78 7.579 7.675 -0.096 1
1 903 . 20 1 1 A 78 78 THR CA C 78 59.766 61.657 -1.891 1
1 904 . 20 1 1 A 78 78 THR HA H 78 5.174 4.869 0.305 1
1 905 . 20 1 1 A 78 78 THR CB C 78 71.855 71.237 0.618 1
1 911 . 20 1 1 A 78 78 THR C C 78 173.138 173.351 -0.213 1
1 912 . 20 1 1 A 79 79 VAL N N 79 123.606 124.210 -0.604 1
1 913 . 20 1 1 A 79 79 VAL H H 79 8.696 8.895 -0.199 1
1 914 . 20 1 1 A 79 79 VAL CA C 79 58.982 59.091 -0.109 1
1 915 . 20 1 1 A 79 79 VAL HA H 79 4.495 4.556 -0.061 1
1 916 . 20 1 1 A 79 79 VAL CB C 79 32.717 35.175 -2.458 1
1 926 . 20 1 1 A 79 79 VAL C C 79 174.289 173.891 0.398 1
1 927 . 20 1 1 A 80 80 PRO CA C 80 63.184 62.081 1.103 1
1 928 . 20 1 1 A 80 80 PRO HA H 80 4.160 4.708 -0.548 1
1 929 . 20 1 1 A 80 80 PRO CB C 80 33.128 32.248 0.880 1
1 935 . 20 1 1 A 80 80 PRO C C 80 174.009 177.565 -3.556 1
1 939 . 20 1 1 A 81 81 ALA N N 81 120.000 126.787 -6.787 1
1 940 . 20 1 1 A 81 81 ALA H H 81 8.371 8.348 0.023 1
1 941 . 20 1 1 A 81 81 ALA CA C 81 51.951 53.209 -1.258 1
1 942 . 20 1 1 A 81 81 ALA HA H 81 3.715 4.259 -0.544 1
1 943 . 20 1 1 A 81 81 ALA CB C 81 20.029 19.055 0.974 1
1 947 . 20 1 1 A 81 81 ALA C C 81 176.740 177.589 -0.849 1
1 948 . 20 1 1 A 82 82 ARG N N 82 111.901 117.881 -5.980 1
1 949 . 20 1 1 A 82 82 ARG H H 82 8.724 7.632 1.092 1
1 950 . 20 1 1 A 82 82 ARG CA C 82 57.062 55.035 2.027 1
1 951 . 20 1 1 A 82 82 ARG HA H 82 3.665 4.522 -0.857 1
1 952 . 20 1 1 A 82 82 ARG CB C 82 26.959 30.425 -3.466 1
1 958 . 20 1 1 A 82 82 ARG C C 82 176.777 175.684 1.093 1
1 962 . 20 1 1 A 83 83 GLY N N 83 107.610 108.847 -1.237 1
1 963 . 20 1 1 A 83 83 GLY H H 83 9.251 7.699 1.552 1
1 964 . 20 1 1 A 83 83 GLY CA C 83 46.389 46.480 -0.091 1
1 965 . 20 1 1 A 83 83 GLY HA3 H 83 3.731 3.548 0.183 1
1 966 . 20 1 1 A 83 83 GLY C C 83 176.193 174.724 1.469 1
1 967 . 20 1 1 A 83 83 GLY HA2 H 83 3.352 2.773 0.579 1
1 968 . 20 1 1 A 84 84 GLY N N 84 106.030 107.245 -1.215 1
1 969 . 20 1 1 A 84 84 GLY H H 84 7.015 7.907 -0.892 1
1 970 . 20 1 1 A 84 84 GLY CA C 84 45.272 44.517 0.755 1
1 971 . 20 1 1 A 84 84 GLY HA3 H 84 3.537 3.958 -0.421 1
1 972 . 20 1 1 A 84 84 GLY C C 84 171.651 173.530 -1.879 1
1 973 . 20 1 1 A 84 84 GLY HA2 H 84 3.891 3.941 -0.050 1
1 974 . 20 1 1 A 85 85 LEU N N 85 120.524 121.705 -1.181 1
1 975 . 20 1 1 A 85 85 LEU H H 85 7.903 7.886 0.017 1
1 976 . 20 1 1 A 85 85 LEU CA C 85 53.494 51.023 2.471 1
1 977 . 20 1 1 A 85 85 LEU HA H 85 4.346 4.871 -0.525 1
1 978 . 20 1 1 A 85 85 LEU CB C 85 42.901 45.173 -2.272 1
1 990 . 20 1 1 A 85 85 LEU C C 85 174.362 174.746 -0.384 1
1 992 . 20 1 1 A 86 86 PRO CA C 86 62.752 62.408 0.344 1
1 993 . 20 1 1 A 86 86 PRO HA H 86 4.570 4.605 -0.035 1
1 994 . 20 1 1 A 86 86 PRO CB C 86 33.557 32.284 1.273 1
1 1000 . 20 1 1 A 86 86 PRO C C 86 178.338 176.306 2.032 1
1 1004 . 20 1 1 A 87 87 ILE N N 87 118.504 122.880 -4.376 1
1 1005 . 20 1 1 A 87 87 ILE H H 87 7.544 8.566 -1.022 1
1 1006 . 20 1 1 A 87 87 ILE CA C 87 60.571 61.115 -0.544 1
1 1007 . 20 1 1 A 87 87 ILE HA H 87 4.021 4.377 -0.356 1
1 1008 . 20 1 1 A 87 87 ILE CB C 87 40.787 37.986 2.801 1
1 1020 . 20 1 1 A 87 87 ILE C C 87 175.620 175.765 -0.145 1
1 1022 . 20 1 1 A 88 88 THR N N 88 115.839 118.068 -2.229 1
1 1023 . 20 1 1 A 88 88 THR H H 88 8.788 8.985 -0.197 1
1 1024 . 20 1 1 A 88 88 THR CA C 88 58.935 59.668 -0.733 1
1 1025 . 20 1 1 A 88 88 THR HA H 88 5.678 5.747 -0.069 1
1 1026 . 20 1 1 A 88 88 THR CB C 88 72.532 71.641 0.891 1
1 1032 . 20 1 1 A 88 88 THR C C 88 174.318 173.439 0.879 1
1 1033 . 20 1 1 A 89 89 GLN N N 89 121.295 120.435 0.860 1
1 1034 . 20 1 1 A 89 89 GLN H H 89 8.399 8.852 -0.453 1
1 1035 . 20 1 1 A 89 89 GLN CA C 89 56.259 54.290 1.969 1
1 1036 . 20 1 1 A 89 89 GLN HA H 89 4.528 4.960 -0.432 1
1 1037 . 20 1 1 A 89 89 GLN CB C 89 30.760 32.471 -1.711 1
1 1044 . 20 1 1 A 89 89 GLN C C 89 172.439 173.849 -1.410 1
1 1047 . 20 1 1 A 90 90 LEU N N 90 129.715 124.859 4.856 1
1 1048 . 20 1 1 A 90 90 LEU H H 90 8.426 8.549 -0.123 1
1 1049 . 20 1 1 A 90 90 LEU CA C 90 54.513 53.367 1.146 1
1 1050 . 20 1 1 A 90 90 LEU HA H 90 5.103 5.027 0.076 1
1 1051 . 20 1 1 A 90 90 LEU CB C 90 44.412 44.764 -0.352 1
1 1063 . 20 1 1 A 90 90 LEU C C 90 175.027 174.050 0.977 1
1 1065 . 20 1 1 A 91 91 PHE N N 91 123.227 124.120 -0.893 1
1 1066 . 20 1 1 A 91 91 PHE H H 91 9.647 8.809 0.838 1
1 1067 . 20 1 1 A 91 91 PHE CA C 91 55.327 56.344 -1.017 1
1 1068 . 20 1 1 A 91 91 PHE HA H 91 5.064 5.327 -0.263 1
1 1069 . 20 1 1 A 91 91 PHE CB C 91 40.899 42.057 -1.158 1
1 1081 . 20 1 1 A 91 91 PHE C C 91 174.296 174.649 -0.353 1
1 1083 . 20 1 1 A 92 92 ARG N N 92 121.174 123.951 -2.777 1
1 1084 . 20 1 1 A 92 92 ARG H H 92 8.726 8.519 0.207 1
1 1085 . 20 1 1 A 92 92 ARG CA C 92 55.046 56.148 -1.102 1
1 1086 . 20 1 1 A 92 92 ARG HA H 92 5.109 4.782 0.327 1
1 1087 . 20 1 1 A 92 92 ARG CB C 92 32.524 31.424 1.100 1
1 1093 . 20 1 1 A 92 92 ARG C C 92 175.154 175.424 -0.270 1
1 1097 . 20 1 1 A 93 93 ILE N N 93 126.629 124.372 2.257 1
1 1098 . 20 1 1 A 93 93 ILE H H 93 9.599 9.008 0.591 1
1 1099 . 20 1 1 A 93 93 ILE CA C 93 59.538 59.905 -0.367 1
1 1100 . 20 1 1 A 93 93 ILE HA H 93 5.206 5.333 -0.127 1
1 1101 . 20 1 1 A 93 93 ILE CB C 93 40.963 42.300 -1.337 1
1 1113 . 20 1 1 A 93 93 ILE C C 93 174.400 174.908 -0.508 1
1 1115 . 20 1 1 A 94 94 LEU N N 94 127.940 126.927 1.013 1
1 1116 . 20 1 1 A 94 94 LEU H H 94 8.853 8.938 -0.085 1
1 1117 . 20 1 1 A 94 94 LEU CA C 94 53.673 53.271 0.402 1
1 1118 . 20 1 1 A 94 94 LEU HA H 94 5.152 5.218 -0.066 1
1 1119 . 20 1 1 A 94 94 LEU CB C 94 44.245 43.594 0.651 1
1 1131 . 20 1 1 A 94 94 LEU C C 94 176.106 175.916 0.190 1
1 1133 . 20 1 1 A 95 95 ASN N N 95 119.567 122.528 -2.961 1
1 1134 . 20 1 1 A 95 95 ASN H H 95 9.271 8.933 0.338 1
1 1135 . 20 1 1 A 95 95 ASN CA C 95 49.634 50.737 -1.103 1
1 1136 . 20 1 1 A 95 95 ASN HA H 95 5.361 5.268 0.093 1
1 1137 . 20 1 1 A 95 95 ASN CB C 95 39.189 39.162 0.027 1
1 1142 . 20 1 1 A 95 95 ASN C C 95 173.779 173.897 -0.118 1
1 1144 . 20 1 1 A 96 96 PRO CA C 96 64.795 64.462 0.333 1
1 1145 . 20 1 1 A 96 96 PRO HA H 96 4.306 4.471 -0.165 1
1 1146 . 20 1 1 A 96 96 PRO CB C 96 32.010 31.968 0.042 1
1 1152 . 20 1 1 A 96 96 PRO C C 96 177.656 177.498 0.158 1
1 1156 . 20 1 1 A 97 97 ASN N N 97 114.343 114.643 -0.300 1
1 1157 . 20 1 1 A 97 97 ASN H H 97 8.840 7.838 1.002 1
1 1158 . 20 1 1 A 97 97 ASN CA C 97 52.889 52.878 0.011 1
1 1159 . 20 1 1 A 97 97 ASN HA H 97 4.828 4.800 0.028 1
1 1160 . 20 1 1 A 97 97 ASN CB C 97 38.085 38.649 -0.564 1
1 1165 . 20 1 1 A 97 97 ASN C C 97 174.361 174.465 -0.104 1
1 1167 . 20 1 1 A 98 98 LYS N N 98 118.175 115.924 2.251 1
1 1168 . 20 1 1 A 98 98 LYS H H 98 7.735 7.591 0.144 1
1 1169 . 20 1 1 A 98 98 LYS CA C 98 57.625 57.355 0.270 1
1 1170 . 20 1 1 A 98 98 LYS HA H 98 3.780 3.860 -0.080 1
1 1171 . 20 1 1 A 98 98 LYS CB C 98 29.343 29.261 0.082 1
1 1179 . 20 1 1 A 98 98 LYS C C 98 174.779 175.024 -0.245 1
1 1184 . 20 1 1 A 99 99 ALA N N 99 122.321 121.287 1.034 1
1 1185 . 20 1 1 A 99 99 ALA H H 99 8.454 7.857 0.597 1
1 1186 . 20 1 1 A 99 99 ALA CA C 99 49.893 48.888 1.005 1
1 1187 . 20 1 1 A 99 99 ALA HA H 99 4.415 4.541 -0.126 1
1 1188 . 20 1 1 A 99 99 ALA CB C 99 18.125 20.097 -1.972 1
1 1192 . 20 1 1 A 99 99 ALA C C 99 175.018 176.357 -1.339 1
1 1193 . 20 1 1 A 100 100 PRO CA C 100 62.082 62.462 -0.380 1
1 1194 . 20 1 1 A 100 100 PRO CB C 100 31.068 30.599 0.469 1
1 1203 . 20 1 1 A 101 101 LEU H H 101 5.223 8.757 -3.534 1
1 1204 . 20 1 1 A 101 101 LEU CA C 101 55.181 53.237 1.944 1
1 1205 . 20 1 1 A 101 101 LEU HA H 101 3.758 4.914 -1.156 1
1 1206 . 20 1 1 A 101 101 LEU CB C 101 43.103 43.532 -0.429 1
1 1218 . 20 1 1 A 101 101 LEU C C 101 174.350 176.664 -2.314 1
1 1220 . 20 1 1 A 102 102 ARG N N 102 122.304 118.024 4.280 1
1 1221 . 20 1 1 A 102 102 ARG H H 102 6.412 8.621 -2.209 1
1 1222 . 20 1 1 A 102 102 ARG CA C 102 54.659 54.450 0.209 1
1 1223 . 20 1 1 A 102 102 ARG HA H 102 4.500 5.048 -0.548 1
1 1224 . 20 1 1 A 102 102 ARG CB C 102 33.168 32.933 0.235 1
1 1230 . 20 1 1 A 102 102 ARG C C 102 173.625 174.415 -0.790 1
1 1234 . 20 1 1 A 103 103 LEU N N 103 119.849 122.006 -2.157 1
1 1235 . 20 1 1 A 103 103 LEU H H 103 8.301 8.821 -0.520 1
1 1236 . 20 1 1 A 103 103 LEU CA C 103 53.667 53.913 -0.246 1
1 1237 . 20 1 1 A 103 103 LEU HA H 103 4.886 5.068 -0.182 1
1 1238 . 20 1 1 A 103 103 LEU CB C 103 47.097 46.179 0.918 1
1 1250 . 20 1 1 A 103 103 LEU C C 103 173.874 173.667 0.207 1
1 1252 . 20 1 1 A 104 104 LYS N N 104 126.165 128.710 -2.545 1
1 1253 . 20 1 1 A 104 104 LYS H H 104 8.516 8.913 -0.397 1
1 1254 . 20 1 1 A 104 104 LYS CA C 104 55.117 55.044 0.073 1
1 1255 . 20 1 1 A 104 104 LYS HA H 104 4.773 5.308 -0.535 1
1 1256 . 20 1 1 A 104 104 LYS CB C 104 34.581 34.154 0.427 1
1 1264 . 20 1 1 A 104 104 LYS C C 104 174.980 174.875 0.105 1
1 1269 . 20 1 1 A 105 105 LEU N N 105 125.172 127.017 -1.845 1
1 1270 . 20 1 1 A 105 105 LEU H H 105 8.586 8.502 0.084 1
1 1271 . 20 1 1 A 105 105 LEU CA C 105 53.059 53.223 -0.164 1
1 1272 . 20 1 1 A 105 105 LEU HA H 105 4.923 5.002 -0.079 1
1 1273 . 20 1 1 A 105 105 LEU CB C 105 44.358 44.981 -0.623 1
1 1285 . 20 1 1 A 105 105 LEU C C 105 174.037 174.839 -0.802 1
1 1287 . 20 1 1 A 106 106 ARG N N 106 119.880 125.420 -5.540 1
1 1288 . 20 1 1 A 106 106 ARG H H 106 8.363 9.408 -1.045 1
1 1289 . 20 1 1 A 106 106 ARG CA C 106 54.374 54.297 0.077 1
1 1290 . 20 1 1 A 106 106 ARG HA H 106 4.926 4.855 0.071 1
1 1291 . 20 1 1 A 106 106 ARG CB C 106 32.783 33.733 -0.950 1
1 1297 . 20 1 1 A 106 106 ARG C C 106 174.611 174.333 0.278 1
1 1301 . 20 1 1 A 107 107 LEU N N 107 128.498 127.455 1.043 1
1 1302 . 20 1 1 A 107 107 LEU H H 107 9.260 8.869 0.391 1
1 1303 . 20 1 1 A 107 107 LEU CA C 107 52.942 53.629 -0.687 1
1 1304 . 20 1 1 A 107 107 LEU HA H 107 5.110 5.297 -0.187 1
1 1305 . 20 1 1 A 107 107 LEU CB C 107 45.279 45.071 0.208 1
1 1317 . 20 1 1 A 107 107 LEU C C 107 175.494 175.561 -0.067 1
1 1319 . 20 1 1 A 108 108 THR N N 108 114.947 115.335 -0.388 1
1 1320 . 20 1 1 A 108 108 THR H H 108 8.424 8.431 -0.007 1
1 1321 . 20 1 1 A 108 108 THR CA C 108 59.201 60.773 -1.572 1
1 1322 . 20 1 1 A 108 108 THR HA H 108 5.344 5.459 -0.115 1
1 1323 . 20 1 1 A 108 108 THR CB C 108 71.413 71.267 0.146 1
1 1329 . 20 1 1 A 108 108 THR C C 108 172.424 172.761 -0.337 1
1 1330 . 20 1 1 A 109 109 TYR N N 109 114.691 120.174 -5.483 1
1 1331 . 20 1 1 A 109 109 TYR H H 109 8.056 8.497 -0.441 1
1 1332 . 20 1 1 A 109 109 TYR CA C 109 57.133 56.049 1.084 1
1 1333 . 20 1 1 A 109 109 TYR HA H 109 4.769 5.219 -0.450 1
1 1334 . 20 1 1 A 109 109 TYR CB C 109 38.008 40.379 -2.371 1
1 1344 . 20 1 1 A 109 109 TYR C C 109 171.790 171.874 -0.084 1
1 1346 . 20 1 1 A 110 110 ASP N N 110 119.179 121.195 -2.016 1
1 1347 . 20 1 1 A 110 110 ASP H H 110 9.332 8.493 0.839 1
1 1348 . 20 1 1 A 110 110 ASP CA C 110 53.147 52.978 0.169 1
1 1349 . 20 1 1 A 110 110 ASP HA H 110 5.855 5.518 0.337 1
1 1350 . 20 1 1 A 110 110 ASP CB C 110 42.179 43.901 -1.722 1
1 1352 . 20 1 1 A 110 110 ASP C C 110 176.257 174.747 1.510 1
1 1354 . 20 1 1 A 111 111 HIS N N 111 122.092 126.026 -3.934 1
1 1355 . 20 1 1 A 111 111 HIS H H 111 8.993 9.443 -0.450 1
1 1356 . 20 1 1 A 111 111 HIS CA C 111 55.365 55.673 -0.308 1
1 1357 . 20 1 1 A 111 111 HIS HA H 111 4.768 5.018 -0.250 1
1 1358 . 20 1 1 A 111 111 HIS CB C 111 36.414 33.478 2.936 1
1 1364 . 20 1 1 A 111 111 HIS C C 111 175.420 174.626 0.794 1
1 1366 . 20 1 1 A 112 112 PHE N N 112 129.361 125.506 3.855 1
1 1367 . 20 1 1 A 112 112 PHE H H 112 10.128 9.590 0.538 1
1 1368 . 20 1 1 A 112 112 PHE CA C 112 59.353 58.769 0.584 1
1 1369 . 20 1 1 A 112 112 PHE HA H 112 3.972 3.855 0.117 1
1 1370 . 20 1 1 A 112 112 PHE CB C 112 36.136 36.505 -0.369 1
1 1382 . 20 1 1 A 112 112 PHE C C 112 175.288 174.985 0.303 1
1 1384 . 20 1 1 A 113 113 HIS N N 113 109.753 109.144 0.609 1
1 1385 . 20 1 1 A 113 113 HIS H H 113 8.856 8.240 0.616 1
1 1386 . 20 1 1 A 113 113 HIS CA C 113 57.593 56.888 0.705 1
1 1387 . 20 1 1 A 113 113 HIS HA H 113 4.168 4.249 -0.081 1
1 1388 . 20 1 1 A 113 113 HIS CB C 113 27.575 26.969 0.606 1
1 1394 . 20 1 1 A 113 113 HIS C C 113 174.146 173.795 0.351 1
1 1396 . 20 1 1 A 114 114 GLN N N 114 118.510 116.908 1.602 1
1 1397 . 20 1 1 A 114 114 GLN H H 114 7.930 7.705 0.225 1
1 1398 . 20 1 1 A 114 114 GLN CA C 114 54.303 54.542 -0.239 1
1 1399 . 20 1 1 A 114 114 GLN HA H 114 4.674 4.824 -0.150 1
1 1400 . 20 1 1 A 114 114 GLN CB C 114 31.548 32.584 -1.036 1
1 1407 . 20 1 1 A 114 114 GLN C C 114 174.702 175.022 -0.320 1
1 1410 . 20 1 1 A 115 115 SER N N 115 118.183 119.632 -1.449 1
1 1411 . 20 1 1 A 115 115 SER H H 115 8.528 8.848 -0.320 1
1 1412 . 20 1 1 A 115 115 SER CA C 115 57.665 59.185 -1.520 1
1 1413 . 20 1 1 A 115 115 SER HA H 115 5.112 4.679 0.433 1
1 1414 . 20 1 1 A 115 115 SER CB C 115 63.266 63.653 -0.387 1
1 1416 . 20 1 1 A 115 115 SER C C 115 174.157 174.154 0.003 1
1 1418 . 20 1 1 A 116 116 VAL N N 116 130.788 127.003 3.785 1
1 1419 . 20 1 1 A 116 116 VAL H H 116 9.445 8.902 0.543 1
1 1420 . 20 1 1 A 116 116 VAL CA C 116 62.375 61.172 1.203 1
1 1421 . 20 1 1 A 116 116 VAL HA H 116 3.870 4.445 -0.575 1
1 1422 . 20 1 1 A 116 116 VAL CB C 116 32.564 32.785 -0.221 1
1 1432 . 20 1 1 A 116 116 VAL C C 116 175.674 173.934 1.740 1
1 1433 . 20 1 1 A 117 117 GLN N N 117 127.278 129.190 -1.912 1
1 1434 . 20 1 1 A 117 117 GLN H H 117 8.612 9.006 -0.394 1
1 1435 . 20 1 1 A 117 117 GLN CA C 117 55.004 54.223 0.781 1
1 1436 . 20 1 1 A 117 117 GLN HA H 117 5.170 5.148 0.022 1
1 1437 . 20 1 1 A 117 117 GLN CB C 117 31.166 30.982 0.184 1
1 1444 . 20 1 1 A 117 117 GLN C C 117 174.229 174.185 0.044 1
1 1447 . 20 1 1 A 118 118 GLU N N 118 125.633 126.123 -0.490 1
1 1448 . 20 1 1 A 118 118 GLU H H 118 8.960 8.787 0.173 1
1 1449 . 20 1 1 A 118 118 GLU CA C 118 54.799 54.853 -0.054 1
1 1450 . 20 1 1 A 118 118 GLU HA H 118 4.869 5.094 -0.225 1
1 1451 . 20 1 1 A 118 118 GLU CB C 118 33.675 32.479 1.196 1
1 1455 . 20 1 1 A 118 118 GLU C C 118 174.340 175.446 -1.106 1
1 1458 . 20 1 1 A 119 119 ILE N N 119 123.525 124.402 -0.877 1
1 1459 . 20 1 1 A 119 119 ILE H H 119 8.683 9.016 -0.333 1
1 1460 . 20 1 1 A 119 119 ILE CA C 119 60.005 60.233 -0.228 1
1 1461 . 20 1 1 A 119 119 ILE HA H 119 5.157 4.559 0.598 1
1 1462 . 20 1 1 A 119 119 ILE CB C 119 40.761 39.640 1.121 1
1 1474 . 20 1 1 A 119 119 ILE C C 119 175.386 175.135 0.251 1
1 1476 . 20 1 1 A 120 120 PHE N N 120 122.954 124.124 -1.170 1
1 1477 . 20 1 1 A 120 120 PHE H H 120 8.647 7.941 0.706 1
1 1478 . 20 1 1 A 120 120 PHE CA C 120 55.754 54.878 0.876 1
1 1479 . 20 1 1 A 120 120 PHE HA H 120 5.064 5.789 -0.725 1
1 1480 . 20 1 1 A 120 120 PHE CB C 120 39.904 42.579 -2.675 1
1 1492 . 20 1 1 A 120 120 PHE C C 120 172.536 173.358 -0.822 1
1 1494 . 20 1 1 A 121 121 GLU N N 121 120.205 119.451 0.754 1
1 1495 . 20 1 1 A 121 121 GLU H H 121 8.807 8.828 -0.021 1
1 1496 . 20 1 1 A 121 121 GLU CA C 121 54.976 55.114 -0.138 1
1 1497 . 20 1 1 A 121 121 GLU HA H 121 4.795 4.964 -0.169 1
1 1498 . 20 1 1 A 121 121 GLU CB C 121 31.537 32.944 -1.407 1
1 1502 . 20 1 1 A 121 121 GLU C C 121 175.979 175.787 0.192 1
1 1505 . 20 1 1 A 122 122 VAL N N 122 124.567 124.862 -0.295 1
1 1506 . 20 1 1 A 122 122 VAL H H 122 8.818 8.716 0.102 1
1 1507 . 20 1 1 A 122 122 VAL CA C 122 62.536 63.162 -0.626 1
1 1508 . 20 1 1 A 122 122 VAL HA H 122 4.300 4.177 0.123 1
1 1509 . 20 1 1 A 122 122 VAL CB C 122 32.136 31.444 0.692 1
1 1519 . 20 1 1 A 122 122 VAL C C 122 175.324 177.083 -1.759 1
1 1520 . 20 1 1 A 123 123 ASN N N 123 125.013 120.178 4.835 1
1 1521 . 20 1 1 A 123 123 ASN H H 123 8.770 8.719 0.051 1
1 1522 . 20 1 1 A 123 123 ASN CA C 123 52.889 51.906 0.983 1
1 1523 . 20 1 1 A 123 123 ASN HA H 123 5.072 5.152 -0.080 1
1 1524 . 20 1 1 A 123 123 ASN CB C 123 40.114 38.694 1.420 1
1 1529 . 20 1 1 A 123 123 ASN C C 123 174.799 175.863 -1.064 1
1 1531 . 20 1 1 A 124 124 ASN N N 124 117.247 117.342 -0.095 1
1 1532 . 20 1 1 A 124 124 ASN H H 124 8.599 7.998 0.601 1
1 1533 . 20 1 1 A 124 124 ASN CA C 124 52.853 52.845 0.008 1
1 1534 . 20 1 1 A 124 124 ASN HA H 124 4.721 5.025 -0.304 1
1 1535 . 20 1 1 A 124 124 ASN CB C 124 36.882 39.933 -3.051 1
1 1540 . 20 1 1 A 124 124 ASN C C 124 174.437 175.026 -0.589 1
1 1542 . 20 1 1 A 125 125 LEU N N 125 119.273 122.884 -3.611 1
1 1543 . 20 1 1 A 125 125 LEU H H 125 8.105 7.371 0.734 1
1 1544 . 20 1 1 A 125 125 LEU CA C 125 53.787 53.891 -0.104 1
1 1545 . 20 1 1 A 125 125 LEU HA H 125 4.187 4.420 -0.233 1
1 1546 . 20 1 1 A 125 125 LEU CB C 125 40.398 41.736 -1.338 1
1 1558 . 20 1 1 A 125 125 LEU C C 125 175.528 174.826 0.702 1
1 1560 . 20 1 1 A 126 126 PRO CA C 126 62.439 62.322 0.117 1
1 1561 . 20 1 1 A 126 126 PRO HA H 126 4.519 4.543 -0.024 1
1 1562 . 20 1 1 A 126 126 PRO CB C 126 31.210 33.046 -1.836 1
1 1568 . 20 1 1 A 126 126 PRO C C 126 179.073 175.683 3.390 1
1 1572 . 20 1 1 A 127 127 VAL N N 127 124.759 117.811 6.948 1
1 1573 . 20 1 1 A 127 127 VAL H H 127 8.794 8.101 0.693 1
1 1574 . 20 1 1 A 127 127 VAL CA C 127 64.360 63.008 1.352 1
1 1575 . 20 1 1 A 127 127 VAL HA H 127 3.216 4.080 -0.864 1
1 1576 . 20 1 1 A 127 127 VAL CB C 127 30.825 32.412 -1.587 1
1 1586 . 20 1 1 A 127 127 VAL C C 127 176.789 176.992 -0.203 1
1 1587 . 20 1 1 A 128 128 GLU N N 128 119.892 122.051 -2.159 1
1 1588 . 20 1 1 A 128 128 GLU H H 128 9.460 8.104 1.356 1
1 1589 . 20 1 1 A 128 128 GLU CA C 128 59.216 59.193 0.023 1
1 1590 . 20 1 1 A 128 128 GLU HA H 128 3.831 3.761 0.070 1
1 1591 . 20 1 1 A 128 128 GLU CB C 128 29.188 29.222 -0.034 1
1 1595 . 20 1 1 A 128 128 GLU C C 128 177.624 178.950 -1.326 1
1 1598 . 20 1 1 A 129 129 SER N N 129 112.727 113.998 -1.271 1
1 1599 . 20 1 1 A 129 129 SER H H 129 8.057 8.038 0.019 1
1 1600 . 20 1 1 A 129 129 SER CA C 129 61.024 61.178 -0.154 1
1 1601 . 20 1 1 A 129 129 SER HA H 129 3.925 4.163 -0.238 1
1 1602 . 20 1 1 A 129 129 SER CB C 129 64.440 61.995 2.445 1
1 1604 . 20 1 1 A 129 129 SER C C 129 173.147 176.435 -3.288 1
1 1606 . 20 1 1 A 130 130 TRP N N 130 117.092 119.070 -1.978 1
1 1607 . 20 1 1 A 130 130 TRP H H 130 7.184 7.819 -0.635 1
1 1608 . 20 1 1 A 130 130 TRP CA C 130 57.027 59.072 -2.045 1
1 1609 . 20 1 1 A 130 130 TRP HA H 130 4.974 4.713 0.261 1
1 1610 . 20 1 1 A 130 130 TRP CB C 130 31.384 30.272 1.112 1
1 1624 . 20 1 1 A 130 130 TRP C C 130 174.759 177.569 -2.810 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 121 1.057 1
2 1 1 1 "RMS(OBS, PRED)" CA 124 0.943 1
3 1 1 1 "RMS(OBS, PRED)" CB 118 1.339 1
4 1 1 1 "RMS(OBS, PRED)" H 108 0.634 1
5 1 1 1 "RMS(OBS, PRED)" HA 130 0.329 1
6 1 1 1 "RMS(OBS, PRED)" N 107 3.042 1
7 1 2 1 "RMS(OBS, PRED)" C 121 1.072 1
8 1 2 1 "RMS(OBS, PRED)" CA 124 0.939 1
9 1 2 1 "RMS(OBS, PRED)" CB 118 1.321 1
10 1 2 1 "RMS(OBS, PRED)" H 108 0.622 1
11 1 2 1 "RMS(OBS, PRED)" HA 130 0.347 1
12 1 2 1 "RMS(OBS, PRED)" N 107 3.255 1
13 1 3 1 "RMS(OBS, PRED)" C 121 1.123 1
14 1 3 1 "RMS(OBS, PRED)" CA 124 0.964 1
15 1 3 1 "RMS(OBS, PRED)" CB 118 1.249 1
16 1 3 1 "RMS(OBS, PRED)" H 108 0.630 1
17 1 3 1 "RMS(OBS, PRED)" HA 130 0.344 1
18 1 3 1 "RMS(OBS, PRED)" N 107 3.083 1
19 1 4 1 "RMS(OBS, PRED)" C 121 1.066 1
20 1 4 1 "RMS(OBS, PRED)" CA 124 0.868 1
21 1 4 1 "RMS(OBS, PRED)" CB 118 1.253 1
22 1 4 1 "RMS(OBS, PRED)" H 108 0.627 1
23 1 4 1 "RMS(OBS, PRED)" HA 130 0.328 1
24 1 4 1 "RMS(OBS, PRED)" N 107 3.143 1
25 1 5 1 "RMS(OBS, PRED)" C 121 1.038 1
26 1 5 1 "RMS(OBS, PRED)" CA 124 0.898 1
27 1 5 1 "RMS(OBS, PRED)" CB 118 1.346 1
28 1 5 1 "RMS(OBS, PRED)" H 108 0.635 1
29 1 5 1 "RMS(OBS, PRED)" HA 130 0.322 1
30 1 5 1 "RMS(OBS, PRED)" N 107 3.089 1
31 1 6 1 "RMS(OBS, PRED)" C 121 1.083 1
32 1 6 1 "RMS(OBS, PRED)" CA 124 0.917 1
33 1 6 1 "RMS(OBS, PRED)" CB 118 1.336 1
34 1 6 1 "RMS(OBS, PRED)" H 108 0.655 1
35 1 6 1 "RMS(OBS, PRED)" HA 130 0.351 1
36 1 6 1 "RMS(OBS, PRED)" N 107 2.960 1
37 1 7 1 "RMS(OBS, PRED)" C 121 1.127 1
38 1 7 1 "RMS(OBS, PRED)" CA 124 0.991 1
39 1 7 1 "RMS(OBS, PRED)" CB 118 1.209 1
40 1 7 1 "RMS(OBS, PRED)" H 108 0.652 1
41 1 7 1 "RMS(OBS, PRED)" HA 130 0.342 1
42 1 7 1 "RMS(OBS, PRED)" N 107 3.104 1
43 1 8 1 "RMS(OBS, PRED)" C 121 1.093 1
44 1 8 1 "RMS(OBS, PRED)" CA 124 0.992 1
45 1 8 1 "RMS(OBS, PRED)" CB 118 1.254 1
46 1 8 1 "RMS(OBS, PRED)" H 108 0.646 1
47 1 8 1 "RMS(OBS, PRED)" HA 130 0.348 1
48 1 8 1 "RMS(OBS, PRED)" N 107 3.158 1
49 1 9 1 "RMS(OBS, PRED)" C 121 1.094 1
50 1 9 1 "RMS(OBS, PRED)" CA 124 0.875 1
51 1 9 1 "RMS(OBS, PRED)" CB 118 1.327 1
52 1 9 1 "RMS(OBS, PRED)" H 108 0.662 1
53 1 9 1 "RMS(OBS, PRED)" HA 130 0.340 1
54 1 9 1 "RMS(OBS, PRED)" N 107 3.043 1
55 1 10 1 "RMS(OBS, PRED)" C 121 1.081 1
56 1 10 1 "RMS(OBS, PRED)" CA 124 0.918 1
57 1 10 1 "RMS(OBS, PRED)" CB 118 1.293 1
58 1 10 1 "RMS(OBS, PRED)" H 108 0.639 1
59 1 10 1 "RMS(OBS, PRED)" HA 130 0.327 1
60 1 10 1 "RMS(OBS, PRED)" N 107 3.121 1
61 1 11 1 "RMS(OBS, PRED)" C 121 1.069 1
62 1 11 1 "RMS(OBS, PRED)" CA 124 0.949 1
63 1 11 1 "RMS(OBS, PRED)" CB 118 1.247 1
64 1 11 1 "RMS(OBS, PRED)" H 108 0.647 1
65 1 11 1 "RMS(OBS, PRED)" HA 130 0.345 1
66 1 11 1 "RMS(OBS, PRED)" N 107 3.241 1
67 1 12 1 "RMS(OBS, PRED)" C 121 1.087 1
68 1 12 1 "RMS(OBS, PRED)" CA 124 0.917 1
69 1 12 1 "RMS(OBS, PRED)" CB 118 1.253 1
70 1 12 1 "RMS(OBS, PRED)" H 108 0.658 1
71 1 12 1 "RMS(OBS, PRED)" HA 130 0.332 1
72 1 12 1 "RMS(OBS, PRED)" N 107 3.165 1
73 1 13 1 "RMS(OBS, PRED)" C 121 1.097 1
74 1 13 1 "RMS(OBS, PRED)" CA 124 0.955 1
75 1 13 1 "RMS(OBS, PRED)" CB 118 1.326 1
76 1 13 1 "RMS(OBS, PRED)" H 108 0.609 1
77 1 13 1 "RMS(OBS, PRED)" HA 130 0.344 1
78 1 13 1 "RMS(OBS, PRED)" N 107 3.273 1
79 1 14 1 "RMS(OBS, PRED)" C 121 1.059 1
80 1 14 1 "RMS(OBS, PRED)" CA 124 0.954 1
81 1 14 1 "RMS(OBS, PRED)" CB 118 1.241 1
82 1 14 1 "RMS(OBS, PRED)" H 108 0.657 1
83 1 14 1 "RMS(OBS, PRED)" HA 130 0.314 1
84 1 14 1 "RMS(OBS, PRED)" N 107 2.931 1
85 1 15 1 "RMS(OBS, PRED)" C 121 1.043 1
86 1 15 1 "RMS(OBS, PRED)" CA 124 0.963 1
87 1 15 1 "RMS(OBS, PRED)" CB 118 1.247 1
88 1 15 1 "RMS(OBS, PRED)" H 108 0.630 1
89 1 15 1 "RMS(OBS, PRED)" HA 130 0.351 1
90 1 15 1 "RMS(OBS, PRED)" N 107 3.305 1
91 1 16 1 "RMS(OBS, PRED)" C 121 1.081 1
92 1 16 1 "RMS(OBS, PRED)" CA 124 0.917 1
93 1 16 1 "RMS(OBS, PRED)" CB 118 1.281 1
94 1 16 1 "RMS(OBS, PRED)" H 108 0.617 1
95 1 16 1 "RMS(OBS, PRED)" HA 130 0.343 1
96 1 16 1 "RMS(OBS, PRED)" N 107 3.040 1
97 1 17 1 "RMS(OBS, PRED)" C 121 1.083 1
98 1 17 1 "RMS(OBS, PRED)" CA 124 0.912 1
99 1 17 1 "RMS(OBS, PRED)" CB 118 1.304 1
100 1 17 1 "RMS(OBS, PRED)" H 108 0.654 1
101 1 17 1 "RMS(OBS, PRED)" HA 130 0.321 1
102 1 17 1 "RMS(OBS, PRED)" N 107 3.263 1
103 1 18 1 "RMS(OBS, PRED)" C 121 1.062 1
104 1 18 1 "RMS(OBS, PRED)" CA 124 0.966 1
105 1 18 1 "RMS(OBS, PRED)" CB 118 1.261 1
106 1 18 1 "RMS(OBS, PRED)" H 108 0.642 1
107 1 18 1 "RMS(OBS, PRED)" HA 130 0.315 1
108 1 18 1 "RMS(OBS, PRED)" N 107 3.141 1
109 1 19 1 "RMS(OBS, PRED)" C 121 1.045 1
110 1 19 1 "RMS(OBS, PRED)" CA 124 0.854 1
111 1 19 1 "RMS(OBS, PRED)" CB 118 1.330 1
112 1 19 1 "RMS(OBS, PRED)" H 108 0.645 1
113 1 19 1 "RMS(OBS, PRED)" HA 130 0.320 1
114 1 19 1 "RMS(OBS, PRED)" N 107 3.287 1
115 1 20 1 "RMS(OBS, PRED)" C 121 1.129 1
116 1 20 1 "RMS(OBS, PRED)" CA 124 0.966 1
117 1 20 1 "RMS(OBS, PRED)" CB 118 1.278 1
118 1 20 1 "RMS(OBS, PRED)" H 108 0.659 1
119 1 20 1 "RMS(OBS, PRED)" HA 130 0.341 1
120 1 20 1 "RMS(OBS, PRED)" N 107 3.084 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 1 . 1 1 A 6 6 SER CA C 6 58.371 58.102 0.270 2
1 2 . 1 1 A 6 6 SER HA H 6 4.533 4.736 -0.203 2
1 3 . 1 1 A 6 6 SER CB C 6 63.994 63.887 0.107 2
1 5 . 1 1 A 6 6 SER C C 6 174.472 173.934 0.538 2
1 7 . 1 1 A 7 7 GLY N N 7 110.741 111.232 -0.491 2
1 8 . 1 1 A 7 7 GLY H H 7 8.209 8.283 -0.074 2
1 9 . 1 1 A 7 7 GLY CA C 7 44.501 44.642 -0.141 2
1 10 . 1 1 A 7 7 GLY HA3 H 7 4.059 4.145 -0.086 2
1 11 . 1 1 A 7 7 GLY C C 7 171.084 172.295 -1.211 2
1 12 . 1 1 A 7 7 GLY HA2 H 7 4.155 4.144 0.011 2
1 13 . 1 1 A 8 8 PRO CA C 8 61.515 62.125 -0.610 2
1 14 . 1 1 A 8 8 PRO HA H 8 4.713 4.623 0.090 2
1 15 . 1 1 A 8 8 PRO CB C 8 30.760 31.864 -1.104 2
1 24 . 1 1 A 9 9 PRO HA H 9 4.724 4.594 0.130 2
1 30 . 1 1 A 10 10 PRO CA C 10 62.761 62.462 0.299 2
1 31 . 1 1 A 10 10 PRO HA H 10 4.389 4.624 -0.235 2
1 32 . 1 1 A 10 10 PRO CB C 10 32.082 33.149 -1.067 2
1 37 . 1 1 A 10 10 PRO C C 10 176.236 175.332 0.904 2
1 41 . 1 1 A 11 11 ALA N N 11 125.926 121.588 4.338 2
1 42 . 1 1 A 11 11 ALA H H 11 8.352 8.205 0.147 2
1 43 . 1 1 A 11 11 ALA CA C 11 50.343 49.271 1.072 2
1 44 . 1 1 A 11 11 ALA HA H 11 4.583 4.804 -0.221 2
1 45 . 1 1 A 11 11 ALA CB C 11 18.255 20.243 -1.988 2
1 49 . 1 1 A 11 11 ALA C C 11 175.479 175.172 0.307 2
1 50 . 1 1 A 12 12 PRO CA C 12 62.757 62.223 0.534 2
1 51 . 1 1 A 12 12 PRO HA H 12 4.386 4.621 -0.235 2
1 52 . 1 1 A 12 12 PRO CB C 12 32.104 33.149 -1.045 2
1 57 . 1 1 A 12 12 PRO C C 12 176.478 175.389 1.089 2
1 61 . 1 1 A 13 13 ILE N N 13 124.607 121.240 3.367 2
1 62 . 1 1 A 13 13 ILE H H 13 8.661 8.385 0.276 2
1 63 . 1 1 A 13 13 ILE CA C 13 59.081 58.258 0.823 2
1 64 . 1 1 A 13 13 ILE HA H 13 4.288 4.501 -0.213 2
1 65 . 1 1 A 13 13 ILE CB C 13 39.710 38.991 0.719 2
1 77 . 1 1 A 13 13 ILE C C 13 174.727 174.586 0.141 2
1 79 . 1 1 A 14 14 PRO CA C 14 63.433 62.375 1.058 2
1 80 . 1 1 A 14 14 PRO HA H 14 4.457 4.566 -0.109 2
1 81 . 1 1 A 14 14 PRO CB C 14 32.428 32.423 0.004 2
1 86 . 1 1 A 14 14 PRO C C 14 175.380 176.418 -1.038 2
1 90 . 1 1 A 15 15 ASP N N 15 118.741 120.698 -1.958 2
1 91 . 1 1 A 15 15 ASP H H 15 8.042 8.515 -0.473 2
1 92 . 1 1 A 15 15 ASP CA C 15 54.213 54.028 0.185 2
1 93 . 1 1 A 15 15 ASP HA H 15 5.064 4.915 0.149 2
1 94 . 1 1 A 15 15 ASP CB C 15 41.793 41.591 0.202 2
1 96 . 1 1 A 15 15 ASP C C 15 176.413 175.621 0.792 2
1 98 . 1 1 A 16 16 LEU N N 16 121.451 122.352 -0.901 2
1 99 . 1 1 A 16 16 LEU H H 16 9.016 8.634 0.382 2
1 100 . 1 1 A 16 16 LEU CA C 16 53.914 54.153 -0.239 2
1 101 . 1 1 A 16 16 LEU HA H 16 4.847 4.979 -0.132 2
1 102 . 1 1 A 16 16 LEU CB C 16 48.283 46.004 2.279 2
1 114 . 1 1 A 16 16 LEU C C 16 174.915 174.374 0.541 2
1 116 . 1 1 A 17 17 LYS N N 17 130.346 126.950 3.396 2
1 117 . 1 1 A 17 17 LYS H H 17 8.937 8.872 0.065 2
1 118 . 1 1 A 17 17 LYS CA C 17 57.027 56.659 0.368 2
1 119 . 1 1 A 17 17 LYS HA H 17 4.821 4.504 0.317 2
1 120 . 1 1 A 17 17 LYS CB C 17 31.991 33.117 -1.126 2
1 128 . 1 1 A 17 17 LYS C C 17 177.744 176.398 1.346 2
1 133 . 1 1 A 18 18 VAL N N 18 116.605 121.601 -4.996 2
1 134 . 1 1 A 18 18 VAL H H 18 8.228 8.486 -0.259 2
1 135 . 1 1 A 18 18 VAL CA C 18 60.586 62.000 -1.414 2
1 136 . 1 1 A 18 18 VAL HA H 18 4.807 4.396 0.411 2
1 137 . 1 1 A 18 18 VAL CB C 18 33.601 33.810 -0.209 2
1 147 . 1 1 A 18 18 VAL C C 18 174.118 175.568 -1.450 2
1 148 . 1 1 A 19 19 PHE N N 19 120.586 121.434 -0.848 2
1 149 . 1 1 A 19 19 PHE H H 19 7.429 7.291 0.138 2
1 150 . 1 1 A 19 19 PHE CA C 19 57.947 57.082 0.865 2
1 151 . 1 1 A 19 19 PHE HA H 19 4.544 4.553 -0.009 2
1 152 . 1 1 A 19 19 PHE CB C 19 43.455 42.408 1.047 2
1 162 . 1 1 A 19 19 PHE C C 19 172.947 172.969 -0.022 2
1 164 . 1 1 A 20 20 GLU N N 20 126.790 126.717 0.073 2
1 165 . 1 1 A 20 20 GLU H H 20 7.620 8.332 -0.712 2
1 166 . 1 1 A 20 20 GLU CA C 20 55.117 54.967 0.150 2
1 167 . 1 1 A 20 20 GLU HA H 20 5.059 4.873 0.186 2
1 168 . 1 1 A 20 20 GLU CB C 20 32.091 32.496 -0.405 2
1 172 . 1 1 A 20 20 GLU C C 20 174.073 174.080 -0.007 2
1 175 . 1 1 A 21 21 ARG N N 21 125.153 127.423 -2.270 2
1 176 . 1 1 A 21 21 ARG H H 21 8.806 9.009 -0.203 2
1 177 . 1 1 A 21 21 ARG CA C 21 56.532 54.023 2.509 2
1 178 . 1 1 A 21 21 ARG HA H 21 4.234 4.813 -0.579 2
1 179 . 1 1 A 21 21 ARG CB C 21 33.707 33.767 -0.060 2
1 185 . 1 1 A 21 21 ARG C C 21 176.293 176.254 0.039 2
1 189 . 1 1 A 22 22 GLU N N 22 132.286 124.322 7.964 2
1 190 . 1 1 A 22 22 GLU H H 22 9.887 8.876 1.011 2
1 191 . 1 1 A 22 22 GLU CA C 22 57.271 58.301 -1.030 2
1 192 . 1 1 A 22 22 GLU HA H 22 3.968 4.130 -0.162 2
1 193 . 1 1 A 22 22 GLU CB C 22 28.595 29.104 -0.509 2
1 197 . 1 1 A 22 22 GLU C C 22 175.219 177.003 -1.784 2
1 200 . 1 1 A 23 23 GLY N N 23 103.445 110.239 -6.794 2
1 201 . 1 1 A 23 23 GLY H H 23 8.570 8.394 0.176 2
1 202 . 1 1 A 23 23 GLY CA C 23 45.698 45.762 -0.064 2
1 203 . 1 1 A 23 23 GLY HA3 H 23 4.242 4.229 0.013 2
1 204 . 1 1 A 23 23 GLY C C 23 173.517 174.109 -0.592 2
1 205 . 1 1 A 23 23 GLY HA2 H 23 3.658 4.205 -0.547 2
1 206 . 1 1 A 24 24 VAL N N 24 124.489 120.048 4.441 2
1 207 . 1 1 A 24 24 VAL H H 24 8.016 7.885 0.131 2
1 208 . 1 1 A 24 24 VAL CA C 24 61.341 62.000 -0.659 2
1 209 . 1 1 A 24 24 VAL HA H 24 4.780 4.389 0.391 2
1 210 . 1 1 A 24 24 VAL CB C 24 32.051 33.188 -1.137 2
1 220 . 1 1 A 24 24 VAL C C 24 175.459 175.045 0.414 2
1 221 . 1 1 A 25 25 GLN N N 25 123.296 125.503 -2.207 2
1 222 . 1 1 A 25 25 GLN H H 25 8.446 8.739 -0.293 2
1 223 . 1 1 A 25 25 GLN CA C 25 53.879 54.396 -0.517 2
1 224 . 1 1 A 25 25 GLN HA H 25 5.378 5.170 0.208 2
1 225 . 1 1 A 25 25 GLN CB C 25 33.065 32.472 0.593 2
1 232 . 1 1 A 25 25 GLN C C 25 174.348 174.185 0.163 2
1 235 . 1 1 A 26 26 LEU N N 26 120.847 125.711 -4.864 2
1 236 . 1 1 A 26 26 LEU H H 26 8.579 9.202 -0.623 2
1 237 . 1 1 A 26 26 LEU CA C 26 53.914 53.770 0.144 2
1 238 . 1 1 A 26 26 LEU HA H 26 5.400 5.334 0.066 2
1 239 . 1 1 A 26 26 LEU CB C 26 47.336 45.907 1.429 2
1 251 . 1 1 A 26 26 LEU C C 26 174.842 174.689 0.153 2
1 253 . 1 1 A 27 27 ASN N N 27 124.346 124.354 -0.008 2
1 254 . 1 1 A 27 27 ASN H H 27 8.738 8.993 -0.255 2
1 255 . 1 1 A 27 27 ASN CA C 27 52.063 51.773 0.290 2
1 256 . 1 1 A 27 27 ASN HA H 27 5.542 5.411 0.131 2
1 257 . 1 1 A 27 27 ASN CB C 27 43.866 42.006 1.860 2
1 262 . 1 1 A 27 27 ASN C C 27 173.520 173.727 -0.208 2
1 264 . 1 1 A 28 28 LEU N N 28 124.198 124.767 -0.569 2
1 265 . 1 1 A 28 28 LEU H H 28 9.406 8.819 0.587 2
1 266 . 1 1 A 28 28 LEU CA C 28 53.773 53.393 0.380 2
1 267 . 1 1 A 28 28 LEU HA H 28 4.995 5.171 -0.176 2
1 268 . 1 1 A 28 28 LEU CB C 28 44.307 45.792 -1.485 2
1 280 . 1 1 A 28 28 LEU C C 28 174.670 174.288 0.382 2
1 282 . 1 1 A 29 29 SER N N 29 115.017 121.800 -6.783 2
1 283 . 1 1 A 29 29 SER H H 29 8.314 8.525 -0.211 2
1 284 . 1 1 A 29 29 SER CA C 29 56.340 56.700 -0.360 2
1 285 . 1 1 A 29 29 SER HA H 29 4.807 5.132 -0.325 2
1 286 . 1 1 A 29 29 SER CB C 29 65.926 65.302 0.624 2
1 288 . 1 1 A 29 29 SER C C 29 172.842 172.767 0.075 2
1 290 . 1 1 A 30 30 PHE N N 30 119.941 124.695 -4.754 2
1 291 . 1 1 A 30 30 PHE H H 30 9.366 9.059 0.307 2
1 292 . 1 1 A 30 30 PHE CA C 30 57.047 56.669 0.378 2
1 293 . 1 1 A 30 30 PHE HA H 30 5.374 5.213 0.161 2
1 294 . 1 1 A 30 30 PHE CB C 30 44.307 41.715 2.592 2
1 306 . 1 1 A 30 30 PHE C C 30 175.242 175.194 0.049 2
1 308 . 1 1 A 31 31 ILE N N 31 122.161 121.571 0.590 2
1 309 . 1 1 A 31 31 ILE H H 31 8.950 8.777 0.173 2
1 310 . 1 1 A 31 31 ILE CA C 31 60.680 60.402 0.278 2
1 311 . 1 1 A 31 31 ILE HA H 31 4.338 4.879 -0.541 2
1 312 . 1 1 A 31 31 ILE CB C 31 42.354 41.455 0.899 2
1 324 . 1 1 A 31 31 ILE C C 31 174.368 175.221 -0.853 2
1 326 . 1 1 A 32 32 ARG N N 32 128.976 127.328 1.648 2
1 327 . 1 1 A 32 32 ARG H H 32 8.773 8.897 -0.124 2
1 328 . 1 1 A 32 32 ARG CA C 32 51.444 52.758 -1.313 2
1 329 . 1 1 A 32 32 ARG HA H 32 5.263 4.895 0.368 2
1 330 . 1 1 A 32 32 ARG CB C 32 29.600 31.370 -1.770 2
1 338 . 1 1 A 32 32 ARG C C 32 173.585 173.776 -0.191 2
1 342 . 1 1 A 33 33 PRO CA C 33 60.759 61.873 -1.114 2
1 343 . 1 1 A 33 33 PRO HA H 33 4.581 4.693 -0.112 2
1 344 . 1 1 A 33 33 PRO CB C 33 32.219 32.514 -0.295 2
1 353 . 1 1 A 34 34 PRO CA C 34 64.464 65.245 -0.781 2
1 354 . 1 1 A 34 34 PRO HA H 34 4.236 4.225 0.011 2
1 355 . 1 1 A 34 34 PRO CB C 34 31.997 32.055 -0.058 2
1 361 . 1 1 A 34 34 PRO C C 34 178.240 178.520 -0.280 2
1 365 . 1 1 A 35 35 GLU N N 35 115.025 116.076 -1.051 2
1 366 . 1 1 A 35 35 GLU H H 35 9.287 8.869 0.418 2
1 367 . 1 1 A 35 35 GLU CA C 35 57.753 58.855 -1.102 2
1 368 . 1 1 A 35 35 GLU HA H 35 4.205 4.129 0.076 2
1 369 . 1 1 A 35 35 GLU CB C 35 28.595 28.862 -0.267 2
1 373 . 1 1 A 35 35 GLU C C 35 176.471 176.829 -0.358 2
1 376 . 1 1 A 36 36 ASN N N 36 114.302 118.152 -3.850 2
1 377 . 1 1 A 36 36 ASN H H 36 7.257 7.903 -0.646 2
1 378 . 1 1 A 36 36 ASN CA C 36 50.593 50.124 0.469 2
1 379 . 1 1 A 36 36 ASN HA H 36 5.024 5.162 -0.138 2
1 380 . 1 1 A 36 36 ASN CB C 36 39.094 39.198 -0.104 2
1 385 . 1 1 A 36 36 ASN C C 36 172.128 173.576 -1.448 2
1 387 . 1 1 A 37 37 PRO CA C 37 64.287 64.773 -0.486 2
1 388 . 1 1 A 37 37 PRO HA H 37 4.600 4.364 0.236 2
1 389 . 1 1 A 37 37 PRO CB C 37 32.235 31.982 0.253 2
1 394 . 1 1 A 37 37 PRO C C 37 176.707 177.835 -1.128 2
1 398 . 1 1 A 38 38 ALA N N 38 117.780 117.974 -0.194 2
1 399 . 1 1 A 38 38 ALA H H 38 7.596 8.003 -0.407 2
1 400 . 1 1 A 38 38 ALA CA C 38 52.674 53.044 -0.370 2
1 401 . 1 1 A 38 38 ALA HA H 38 4.262 4.345 -0.083 2
1 402 . 1 1 A 38 38 ALA CB C 38 19.201 19.337 -0.136 2
1 406 . 1 1 A 38 38 ALA C C 38 176.546 177.065 -0.519 2
1 407 . 1 1 A 39 39 LEU N N 39 122.870 121.080 1.790 2
1 408 . 1 1 A 39 39 LEU H H 39 7.963 7.197 0.765 2
1 409 . 1 1 A 39 39 LEU CA C 39 54.548 53.980 0.568 2
1 410 . 1 1 A 39 39 LEU HA H 39 4.953 4.905 0.048 2
1 411 . 1 1 A 39 39 LEU CB C 39 44.768 44.199 0.569 2
1 423 . 1 1 A 39 39 LEU C C 39 173.627 175.356 -1.729 2
1 425 . 1 1 A 40 40 LEU N N 40 125.985 128.885 -2.900 2
1 426 . 1 1 A 40 40 LEU H H 40 9.247 9.046 0.201 2
1 427 . 1 1 A 40 40 LEU CA C 40 53.914 53.632 0.282 2
1 428 . 1 1 A 40 40 LEU HA H 40 5.018 5.134 -0.116 2
1 429 . 1 1 A 40 40 LEU CB C 40 45.014 44.575 0.439 2
1 441 . 1 1 A 40 40 LEU C C 40 174.170 174.840 -0.670 2
1 443 . 1 1 A 41 41 LEU N N 41 125.906 129.005 -3.099 2
1 444 . 1 1 A 41 41 LEU H H 41 9.224 9.114 0.110 2
1 445 . 1 1 A 41 41 LEU CA C 41 53.190 53.980 -0.790 2
1 446 . 1 1 A 41 41 LEU HA H 41 5.222 5.040 0.182 2
1 447 . 1 1 A 41 41 LEU CB C 41 42.034 41.738 0.296 2
1 459 . 1 1 A 41 41 LEU C C 41 177.109 176.002 1.107 2
1 461 . 1 1 A 42 42 ILE N N 42 124.731 125.849 -1.118 2
1 462 . 1 1 A 42 42 ILE H H 42 9.087 8.860 0.227 2
1 463 . 1 1 A 42 42 ILE CA C 42 59.794 60.107 -0.313 2
1 464 . 1 1 A 42 42 ILE HA H 42 5.055 4.998 0.057 2
1 465 . 1 1 A 42 42 ILE CB C 42 41.019 39.997 1.022 2
1 477 . 1 1 A 42 42 ILE C C 42 175.074 175.157 -0.083 2
1 479 . 1 1 A 43 43 THR N N 43 123.315 121.940 1.375 2
1 480 . 1 1 A 43 43 THR H H 43 8.589 8.830 -0.241 2
1 481 . 1 1 A 43 43 THR CA C 43 61.677 61.564 0.113 2
1 482 . 1 1 A 43 43 THR HA H 43 5.023 5.387 -0.364 2
1 483 . 1 1 A 43 43 THR CB C 43 69.838 72.066 -2.228 2
1 489 . 1 1 A 43 43 THR C C 43 174.993 173.470 1.523 2
1 490 . 1 1 A 44 44 ILE N N 44 126.677 125.867 0.810 2
1 491 . 1 1 A 44 44 ILE H H 44 9.329 9.011 0.318 2
1 492 . 1 1 A 44 44 ILE CA C 44 59.794 59.990 -0.196 2
1 493 . 1 1 A 44 44 ILE HA H 44 4.953 5.008 -0.055 2
1 494 . 1 1 A 44 44 ILE CB C 44 38.754 40.686 -1.932 2
1 506 . 1 1 A 44 44 ILE C C 44 174.670 175.401 -0.731 2
1 508 . 1 1 A 45 45 THR N N 45 120.442 122.058 -1.616 2
1 509 . 1 1 A 45 45 THR H H 45 8.740 8.637 0.103 2
1 510 . 1 1 A 45 45 THR CA C 45 61.579 61.500 0.079 2
1 511 . 1 1 A 45 45 THR HA H 45 5.266 4.931 0.335 2
1 512 . 1 1 A 45 45 THR CB C 45 70.338 70.652 -0.314 2
1 518 . 1 1 A 45 45 THR C C 45 174.494 173.273 1.221 2
1 519 . 1 1 A 46 46 ALA N N 46 134.267 130.046 4.221 2
1 520 . 1 1 A 46 46 ALA H H 46 9.489 8.500 0.989 2
1 521 . 1 1 A 46 46 ALA CA C 46 49.846 50.531 -0.685 2
1 522 . 1 1 A 46 46 ALA HA H 46 5.554 4.959 0.595 2
1 523 . 1 1 A 46 46 ALA CB C 46 20.414 20.255 0.159 2
1 527 . 1 1 A 46 46 ALA C C 46 174.819 176.738 -1.919 2
1 528 . 1 1 A 47 47 THR N N 47 111.611 114.838 -3.227 2
1 529 . 1 1 A 47 47 THR H H 47 8.431 8.656 -0.225 2
1 530 . 1 1 A 47 47 THR CA C 47 59.331 59.784 -0.453 2
1 531 . 1 1 A 47 47 THR HA H 47 4.409 5.105 -0.696 2
1 532 . 1 1 A 47 47 THR CB C 47 71.655 70.872 0.783 2
1 538 . 1 1 A 47 47 THR C C 47 173.104 172.807 0.297 2
1 539 . 1 1 A 48 48 ASN N N 48 117.087 122.435 -5.348 2
1 540 . 1 1 A 48 48 ASN H H 48 8.647 8.478 0.169 2
1 541 . 1 1 A 48 48 ASN CA C 48 51.019 51.590 -0.571 2
1 542 . 1 1 A 48 48 ASN HA H 48 5.096 5.223 -0.128 2
1 543 . 1 1 A 48 48 ASN CB C 48 39.880 41.526 -1.646 2
1 548 . 1 1 A 48 48 ASN C C 48 173.769 174.368 -0.599 2
1 550 . 1 1 A 49 49 PHE N N 49 123.238 123.008 0.230 2
1 551 . 1 1 A 49 49 PHE H H 49 9.105 8.510 0.595 2
1 552 . 1 1 A 49 49 PHE CA C 49 57.422 58.339 -0.917 2
1 553 . 1 1 A 49 49 PHE HA H 49 4.601 4.728 -0.127 2
1 554 . 1 1 A 49 49 PHE CB C 49 38.770 40.622 -1.852 2
1 566 . 1 1 A 49 49 PHE C C 49 176.238 175.546 0.692 2
1 568 . 1 1 A 50 50 SER N N 50 118.477 114.095 4.382 2
1 569 . 1 1 A 50 50 SER H H 50 8.344 7.705 0.639 2
1 570 . 1 1 A 50 50 SER CA C 50 58.654 58.188 0.466 2
1 571 . 1 1 A 50 50 SER HA H 50 4.933 4.540 0.393 2
1 572 . 1 1 A 50 50 SER CB C 50 66.611 65.146 1.465 2
1 573 . 1 1 A 50 50 SER C C 50 173.089 175.449 -2.360 2
1 574 . 1 1 A 51 51 GLU N N 51 114.036 119.767 -5.731 2
1 575 . 1 1 A 51 51 GLU H H 51 9.051 9.054 -0.003 2
1 576 . 1 1 A 51 51 GLU CA C 51 56.701 57.704 -1.003 2
1 577 . 1 1 A 51 51 GLU HA H 51 4.358 4.332 0.026 2
1 578 . 1 1 A 51 51 GLU CB C 51 30.323 29.724 0.599 2
1 582 . 1 1 A 51 51 GLU C C 51 175.603 176.644 -1.041 2
1 585 . 1 1 A 52 52 GLY N N 52 109.625 108.189 1.436 2
1 586 . 1 1 A 52 52 GLY H H 52 8.525 7.618 0.907 2
1 587 . 1 1 A 52 52 GLY CA C 52 44.267 44.401 -0.134 2
1 588 . 1 1 A 52 52 GLY HA3 H 52 4.505 3.666 0.839 2
1 589 . 1 1 A 52 52 GLY C C 52 173.168 172.646 0.522 2
1 590 . 1 1 A 52 52 GLY HA2 H 52 2.842 2.884 -0.042 2
1 591 . 1 1 A 53 53 ASP N N 53 125.175 123.613 1.562 2
1 592 . 1 1 A 53 53 ASP H H 53 9.001 8.495 0.506 2
1 593 . 1 1 A 53 53 ASP CA C 53 55.793 54.596 1.197 2
1 594 . 1 1 A 53 53 ASP HA H 53 4.082 4.676 -0.595 2
1 595 . 1 1 A 53 53 ASP CB C 53 40.522 41.660 -1.138 2
1 597 . 1 1 A 53 53 ASP C C 53 176.506 175.773 0.733 2
1 599 . 1 1 A 54 54 VAL N N 54 125.250 122.098 3.152 2
1 600 . 1 1 A 54 54 VAL H H 54 7.873 8.053 -0.180 2
1 601 . 1 1 A 54 54 VAL CA C 54 61.350 61.169 0.181 2
1 602 . 1 1 A 54 54 VAL HA H 54 4.759 4.784 -0.025 2
1 603 . 1 1 A 54 54 VAL CB C 54 32.808 33.318 -0.510 2
1 613 . 1 1 A 54 54 VAL C C 54 176.126 175.137 0.989 2
1 614 . 1 1 A 55 55 THR N N 55 116.888 117.117 -0.229 2
1 615 . 1 1 A 55 55 THR H H 55 9.004 8.541 0.463 2
1 616 . 1 1 A 55 55 THR CA C 55 59.194 59.827 -0.633 2
1 617 . 1 1 A 55 55 THR HA H 55 4.920 4.868 0.052 2
1 618 . 1 1 A 55 55 THR CB C 55 72.508 71.875 0.633 2
1 624 . 1 1 A 55 55 THR C C 55 173.166 173.667 -0.501 2
1 625 . 1 1 A 56 56 HIS N N 56 115.667 118.055 -2.388 2
1 626 . 1 1 A 56 56 HIS H H 56 9.193 8.638 0.555 2
1 627 . 1 1 A 56 56 HIS CA C 56 56.363 56.675 -0.312 2
1 628 . 1 1 A 56 56 HIS HA H 56 4.153 4.120 0.033 2
1 629 . 1 1 A 56 56 HIS CB C 56 26.923 27.487 -0.564 2
1 635 . 1 1 A 56 56 HIS C C 56 173.611 174.307 -0.696 2
1 637 . 1 1 A 57 57 PHE N N 57 118.625 118.727 -0.102 2
1 638 . 1 1 A 57 57 PHE H H 57 8.932 8.059 0.873 2
1 639 . 1 1 A 57 57 PHE CA C 57 59.503 58.155 1.348 2
1 640 . 1 1 A 57 57 PHE HA H 57 4.819 4.640 0.179 2
1 641 . 1 1 A 57 57 PHE CB C 57 39.871 39.690 0.181 2
1 653 . 1 1 A 57 57 PHE C C 57 176.025 174.611 1.414 2
1 655 . 1 1 A 58 58 ILE N N 58 131.418 127.697 3.721 2
1 656 . 1 1 A 58 58 ILE H H 58 8.989 8.738 0.251 2
1 657 . 1 1 A 58 58 ILE CA C 58 61.138 59.770 1.368 2
1 658 . 1 1 A 58 58 ILE HA H 58 4.001 4.465 -0.464 2
1 659 . 1 1 A 58 58 ILE CB C 58 41.349 40.401 0.948 2
1 671 . 1 1 A 58 58 ILE C C 58 173.046 174.008 -0.962 2
1 673 . 1 1 A 59 59 CYS N N 59 126.838 127.542 -0.704 2
1 674 . 1 1 A 59 59 CYS H H 59 8.844 8.773 0.071 2
1 675 . 1 1 A 59 59 CYS CA C 59 56.902 56.866 0.036 2
1 676 . 1 1 A 59 59 CYS HA H 59 5.044 5.103 -0.059 2
1 677 . 1 1 A 59 59 CYS CB C 59 28.363 29.558 -1.195 2
1 679 . 1 1 A 59 59 CYS C C 59 173.375 173.431 -0.056 2
1 681 . 1 1 A 60 60 GLN N N 60 126.903 126.233 0.670 2
1 682 . 1 1 A 60 60 GLN H H 60 8.929 8.613 0.316 2
1 683 . 1 1 A 60 60 GLN CA C 60 54.162 54.490 -0.328 2
1 684 . 1 1 A 60 60 GLN HA H 60 4.656 5.068 -0.412 2
1 685 . 1 1 A 60 60 GLN CB C 60 31.991 31.830 0.161 2
1 691 . 1 1 A 60 60 GLN C C 60 174.000 174.726 -0.726 2
1 694 . 1 1 A 61 61 ALA N N 61 124.049 121.374 2.675 2
1 695 . 1 1 A 61 61 ALA H H 61 8.178 8.587 -0.409 2
1 696 . 1 1 A 61 61 ALA CA C 61 50.160 51.103 -0.943 2
1 697 . 1 1 A 61 61 ALA HA H 61 5.192 5.251 -0.059 2
1 698 . 1 1 A 61 61 ALA CB C 61 23.419 23.922 -0.502 2
1 702 . 1 1 A 61 61 ALA C C 61 175.076 175.305 -0.229 2
1 703 . 1 1 A 62 62 ALA N N 62 121.362 120.745 0.617 2
1 704 . 1 1 A 62 62 ALA H H 62 8.488 8.447 0.041 2
1 705 . 1 1 A 62 62 ALA CA C 62 51.309 51.276 0.033 2
1 706 . 1 1 A 62 62 ALA HA H 62 4.667 5.130 -0.463 2
1 707 . 1 1 A 62 62 ALA CB C 62 22.617 22.756 -0.139 2
1 711 . 1 1 A 62 62 ALA C C 62 176.013 176.003 0.010 2
1 712 . 1 1 A 63 63 VAL N N 63 113.572 115.872 -2.300 2
1 713 . 1 1 A 63 63 VAL H H 63 8.271 8.678 -0.407 2
1 714 . 1 1 A 63 63 VAL CA C 63 57.691 57.893 -0.202 2
1 715 . 1 1 A 63 63 VAL HA H 63 5.045 4.928 0.117 2
1 716 . 1 1 A 63 63 VAL CB C 63 32.968 34.180 -1.212 2
1 726 . 1 1 A 63 63 VAL C C 63 173.707 173.423 0.284 2
1 727 . 1 1 A 64 64 PRO CA C 64 62.757 62.548 0.209 2
1 728 . 1 1 A 64 64 PRO HA H 64 4.459 4.626 -0.167 2
1 729 . 1 1 A 64 64 PRO CB C 64 32.728 32.560 0.168 2
1 735 . 1 1 A 64 64 PRO C C 64 176.348 177.781 -1.433 2
1 739 . 1 1 A 65 65 LYS N N 65 118.624 123.713 -5.089 2
1 740 . 1 1 A 65 65 LYS H H 65 8.323 8.672 -0.349 2
1 741 . 1 1 A 65 65 LYS CA C 65 58.516 59.675 -1.159 2
1 742 . 1 1 A 65 65 LYS HA H 65 4.183 3.917 0.266 2
1 743 . 1 1 A 65 65 LYS CB C 65 32.320 32.136 0.184 2
1 751 . 1 1 A 65 65 LYS C C 65 176.595 178.464 -1.869 2
1 756 . 1 1 A 66 66 SER N N 66 111.762 115.105 -3.343 2
1 757 . 1 1 A 66 66 SER H H 66 7.779 8.101 -0.322 2
1 758 . 1 1 A 66 66 SER CA C 66 59.298 61.968 -2.670 2
1 759 . 1 1 A 66 66 SER HA H 66 4.234 4.150 0.084 2
1 760 . 1 1 A 66 66 SER CB C 66 62.984 62.870 0.114 2
1 762 . 1 1 A 66 66 SER C C 66 174.137 174.669 -0.532 2
1 764 . 1 1 A 67 67 LEU N N 67 124.569 119.413 5.156 2
1 765 . 1 1 A 67 67 LEU H H 67 8.109 8.045 0.064 2
1 766 . 1 1 A 67 67 LEU CA C 67 54.940 53.096 1.844 2
1 767 . 1 1 A 67 67 LEU HA H 67 4.836 5.023 -0.187 2
1 768 . 1 1 A 67 67 LEU CB C 67 43.882 44.610 -0.728 2
1 780 . 1 1 A 67 67 LEU C C 67 174.925 175.635 -0.710 2
1 782 . 1 1 A 68 68 GLN N N 68 117.163 121.052 -3.889 2
1 783 . 1 1 A 68 68 GLN H H 68 8.063 8.819 -0.756 2
1 784 . 1 1 A 68 68 GLN CA C 68 54.829 54.187 0.642 2
1 785 . 1 1 A 68 68 GLN HA H 68 4.674 5.152 -0.478 2
1 786 . 1 1 A 68 68 GLN CB C 68 31.579 32.166 -0.587 2
1 793 . 1 1 A 68 68 GLN C C 68 174.077 173.935 0.142 2
1 796 . 1 1 A 69 69 LEU N N 69 126.046 123.905 2.141 2
1 797 . 1 1 A 69 69 LEU H H 69 8.676 8.816 -0.140 2
1 798 . 1 1 A 69 69 LEU CA C 69 54.073 53.949 0.124 2
1 799 . 1 1 A 69 69 LEU HA H 69 5.231 5.161 0.070 2
1 800 . 1 1 A 69 69 LEU CB C 69 45.602 46.389 -0.787 2
1 811 . 1 1 A 69 69 LEU C C 69 175.497 174.429 1.068 2
1 813 . 1 1 A 70 70 GLN N N 70 126.758 125.179 1.579 2
1 814 . 1 1 A 70 70 GLN H H 70 9.410 8.940 0.470 2
1 815 . 1 1 A 70 70 GLN CA C 70 54.657 54.584 0.073 2
1 816 . 1 1 A 70 70 GLN HA H 70 4.746 4.938 -0.192 2
1 817 . 1 1 A 70 70 GLN CB C 70 31.537 32.339 -0.802 2
1 824 . 1 1 A 70 70 GLN C C 70 174.686 174.062 0.624 2
1 827 . 1 1 A 71 71 LEU N N 71 126.413 128.201 -1.788 2
1 828 . 1 1 A 71 71 LEU H H 71 8.936 8.717 0.219 2
1 829 . 1 1 A 71 71 LEU CA C 71 55.294 54.280 1.014 2
1 830 . 1 1 A 71 71 LEU HA H 71 4.752 4.591 0.161 2
1 831 . 1 1 A 71 71 LEU CB C 71 43.898 43.156 0.742 2
1 843 . 1 1 A 71 71 LEU C C 71 176.498 175.410 1.088 2
1 845 . 1 1 A 72 72 GLN N N 72 121.553 127.472 -5.918 2
1 846 . 1 1 A 72 72 GLN H H 72 8.100 7.995 0.105 2
1 847 . 1 1 A 72 72 GLN CA C 72 54.209 54.922 -0.713 2
1 848 . 1 1 A 72 72 GLN HA H 72 4.589 4.390 0.199 2
1 849 . 1 1 A 72 72 GLN CB C 72 31.142 29.985 1.157 2
1 856 . 1 1 A 72 72 GLN C C 72 174.254 175.705 -1.451 2
1 859 . 1 1 A 73 73 ALA N N 73 124.262 127.120 -2.858 2
1 860 . 1 1 A 73 73 ALA H H 73 8.452 8.366 0.086 2
1 861 . 1 1 A 73 73 ALA CA C 73 51.211 50.581 0.630 2
1 862 . 1 1 A 73 73 ALA HA H 73 4.500 4.258 0.242 2
1 863 . 1 1 A 73 73 ALA CB C 73 17.185 18.961 -1.776 2
1 867 . 1 1 A 73 73 ALA C C 73 176.548 175.868 0.680 2
1 868 . 1 1 A 74 74 PRO CA C 74 62.160 62.373 -0.213 2
1 869 . 1 1 A 74 74 PRO HA H 74 4.848 4.581 0.267 2
1 870 . 1 1 A 74 74 PRO CB C 74 32.897 33.263 -0.366 2
1 874 . 1 1 A 74 74 PRO C C 74 177.266 176.461 0.805 2
1 878 . 1 1 A 75 75 SER N N 75 115.398 115.257 0.141 2
1 879 . 1 1 A 75 75 SER H H 75 9.293 8.747 0.546 2
1 880 . 1 1 A 75 75 SER CA C 75 61.024 59.330 1.694 2
1 881 . 1 1 A 75 75 SER HA H 75 4.154 4.481 -0.327 2
1 882 . 1 1 A 75 75 SER CB C 75 62.867 64.520 -1.653 2
1 884 . 1 1 A 75 75 SER C C 75 174.460 174.312 0.148 2
1 886 . 1 1 A 76 76 GLY N N 76 106.233 106.802 -0.569 2
1 887 . 1 1 A 76 76 GLY H H 76 7.208 7.294 -0.086 2
1 888 . 1 1 A 76 76 GLY CA C 76 44.930 45.845 -0.915 2
1 889 . 1 1 A 76 76 GLY HA3 H 76 4.306 4.028 0.278 2
1 890 . 1 1 A 76 76 GLY C C 76 171.327 172.994 -1.667 2
1 891 . 1 1 A 76 76 GLY HA2 H 76 4.095 4.020 0.075 2
1 892 . 1 1 A 77 77 ASN CA C 77 53.060 53.096 -0.036 2
1 893 . 1 1 A 77 77 ASN HA H 77 5.001 4.898 0.103 2
1 894 . 1 1 A 77 77 ASN CB C 77 40.650 38.391 2.259 2
1 899 . 1 1 A 77 77 ASN C C 77 173.427 173.696 -0.269 2
1 901 . 1 1 A 78 78 THR N N 78 114.705 114.788 -0.083 2
1 902 . 1 1 A 78 78 THR H H 78 7.579 7.618 -0.039 2
1 903 . 1 1 A 78 78 THR CA C 78 59.766 61.378 -1.612 2
1 904 . 1 1 A 78 78 THR HA H 78 5.174 4.951 0.223 2
1 905 . 1 1 A 78 78 THR CB C 78 71.855 71.867 -0.012 2
1 911 . 1 1 A 78 78 THR C C 78 173.138 173.356 -0.218 2
1 912 . 1 1 A 79 79 VAL N N 79 123.606 125.505 -1.899 2
1 913 . 1 1 A 79 79 VAL H H 79 8.696 9.139 -0.443 2
1 914 . 1 1 A 79 79 VAL CA C 79 58.982 58.802 0.180 2
1 915 . 1 1 A 79 79 VAL HA H 79 4.495 4.476 0.019 2
1 916 . 1 1 A 79 79 VAL CB C 79 32.717 35.383 -2.666 2
1 926 . 1 1 A 79 79 VAL C C 79 174.289 173.888 0.401 2
1 927 . 1 1 A 80 80 PRO CA C 80 63.184 62.530 0.654 2
1 928 . 1 1 A 80 80 PRO HA H 80 4.160 4.684 -0.524 2
1 929 . 1 1 A 80 80 PRO CB C 80 33.128 32.369 0.759 2
1 935 . 1 1 A 80 80 PRO C C 80 174.009 177.081 -3.072 2
1 939 . 1 1 A 81 81 ALA N N 81 120.000 125.645 -5.645 2
1 940 . 1 1 A 81 81 ALA H H 81 8.371 8.308 0.063 2
1 941 . 1 1 A 81 81 ALA CA C 81 51.951 53.065 -1.114 2
1 942 . 1 1 A 81 81 ALA HA H 81 3.715 4.244 -0.529 2
1 943 . 1 1 A 81 81 ALA CB C 81 20.029 19.065 0.964 2
1 947 . 1 1 A 81 81 ALA C C 81 176.740 177.617 -0.877 2
1 948 . 1 1 A 82 82 ARG N N 82 111.901 117.389 -5.488 2
1 949 . 1 1 A 82 82 ARG H H 82 8.724 7.692 1.032 2
1 950 . 1 1 A 82 82 ARG CA C 82 57.062 55.166 1.896 2
1 951 . 1 1 A 82 82 ARG HA H 82 3.665 4.563 -0.898 2
1 952 . 1 1 A 82 82 ARG CB C 82 26.959 30.417 -3.458 2
1 958 . 1 1 A 82 82 ARG C C 82 176.777 175.983 0.794 2
1 962 . 1 1 A 83 83 GLY N N 83 107.610 108.891 -1.281 2
1 963 . 1 1 A 83 83 GLY H H 83 9.251 7.787 1.464 2
1 964 . 1 1 A 83 83 GLY CA C 83 46.389 46.723 -0.334 2
1 965 . 1 1 A 83 83 GLY HA3 H 83 3.731 3.967 -0.236 2
1 966 . 1 1 A 83 83 GLY C C 83 176.193 174.922 1.271 2
1 967 . 1 1 A 83 83 GLY HA2 H 83 3.352 3.623 -0.271 2
1 968 . 1 1 A 84 84 GLY N N 84 106.030 107.461 -1.431 2
1 969 . 1 1 A 84 84 GLY H H 84 7.015 8.119 -1.104 2
1 970 . 1 1 A 84 84 GLY CA C 84 45.272 45.064 0.208 2
1 971 . 1 1 A 84 84 GLY HA3 H 84 3.537 3.953 -0.416 2
1 972 . 1 1 A 84 84 GLY C C 84 171.651 173.503 -1.852 2
1 973 . 1 1 A 84 84 GLY HA2 H 84 3.891 3.932 -0.041 2
1 974 . 1 1 A 85 85 LEU N N 85 120.524 122.203 -1.679 2
1 975 . 1 1 A 85 85 LEU H H 85 7.903 8.082 -0.179 2
1 976 . 1 1 A 85 85 LEU CA C 85 53.494 51.042 2.452 2
1 977 . 1 1 A 85 85 LEU HA H 85 4.346 4.861 -0.515 2
1 978 . 1 1 A 85 85 LEU CB C 85 42.901 44.657 -1.756 2
1 990 . 1 1 A 85 85 LEU C C 85 174.362 174.885 -0.523 2
1 992 . 1 1 A 86 86 PRO CA C 86 62.752 62.241 0.511 2
1 993 . 1 1 A 86 86 PRO HA H 86 4.570 4.632 -0.062 2
1 994 . 1 1 A 86 86 PRO CB C 86 33.557 32.561 0.996 2
1 1000 . 1 1 A 86 86 PRO C C 86 178.338 175.751 2.587 2
1 1004 . 1 1 A 87 87 ILE N N 87 118.504 121.924 -3.420 2
1 1005 . 1 1 A 87 87 ILE H H 87 7.544 8.343 -0.799 2
1 1006 . 1 1 A 87 87 ILE CA C 87 60.571 60.685 -0.114 2
1 1007 . 1 1 A 87 87 ILE HA H 87 4.021 4.574 -0.552 2
1 1008 . 1 1 A 87 87 ILE CB C 87 40.787 39.335 1.452 2
1 1020 . 1 1 A 87 87 ILE C C 87 175.620 175.708 -0.088 2
1 1022 . 1 1 A 88 88 THR N N 88 115.839 117.408 -1.569 2
1 1023 . 1 1 A 88 88 THR H H 88 8.788 8.991 -0.203 2
1 1024 . 1 1 A 88 88 THR CA C 88 58.935 60.127 -1.192 2
1 1025 . 1 1 A 88 88 THR HA H 88 5.678 5.646 0.032 2
1 1026 . 1 1 A 88 88 THR CB C 88 72.532 71.487 1.045 2
1 1032 . 1 1 A 88 88 THR C C 88 174.318 173.031 1.287 2
1 1033 . 1 1 A 89 89 GLN N N 89 121.295 122.360 -1.065 2
1 1034 . 1 1 A 89 89 GLN H H 89 8.399 8.995 -0.596 2
1 1035 . 1 1 A 89 89 GLN CA C 89 56.259 54.166 2.093 2
1 1036 . 1 1 A 89 89 GLN HA H 89 4.528 4.947 -0.419 2
1 1037 . 1 1 A 89 89 GLN CB C 89 30.760 32.277 -1.517 2
1 1044 . 1 1 A 89 89 GLN C C 89 172.439 173.808 -1.369 2
1 1047 . 1 1 A 90 90 LEU N N 90 129.715 126.009 3.706 2
1 1048 . 1 1 A 90 90 LEU H H 90 8.426 8.391 0.035 2
1 1049 . 1 1 A 90 90 LEU CA C 90 54.513 53.447 1.065 2
1 1050 . 1 1 A 90 90 LEU HA H 90 5.103 4.999 0.104 2
1 1051 . 1 1 A 90 90 LEU CB C 90 44.412 44.820 -0.408 2
1 1063 . 1 1 A 90 90 LEU C C 90 175.027 174.142 0.885 2
1 1065 . 1 1 A 91 91 PHE N N 91 123.227 124.174 -0.947 2
1 1066 . 1 1 A 91 91 PHE H H 91 9.647 8.813 0.834 2
1 1067 . 1 1 A 91 91 PHE CA C 91 55.327 56.283 -0.956 2
1 1068 . 1 1 A 91 91 PHE HA H 91 5.064 5.390 -0.326 2
1 1069 . 1 1 A 91 91 PHE CB C 91 40.899 41.938 -1.038 2
1 1081 . 1 1 A 91 91 PHE C C 91 174.296 174.766 -0.470 2
1 1083 . 1 1 A 92 92 ARG N N 92 121.174 123.892 -2.718 2
1 1084 . 1 1 A 92 92 ARG H H 92 8.726 8.795 -0.069 2
1 1085 . 1 1 A 92 92 ARG CA C 92 55.046 55.891 -0.845 2
1 1086 . 1 1 A 92 92 ARG HA H 92 5.109 4.768 0.341 2
1 1087 . 1 1 A 92 92 ARG CB C 92 32.524 30.941 1.583 2
1 1093 . 1 1 A 92 92 ARG C C 92 175.154 175.184 -0.030 2
1 1097 . 1 1 A 93 93 ILE N N 93 126.629 125.149 1.480 2
1 1098 . 1 1 A 93 93 ILE H H 93 9.599 8.861 0.738 2
1 1099 . 1 1 A 93 93 ILE CA C 93 59.538 59.817 -0.279 2
1 1100 . 1 1 A 93 93 ILE HA H 93 5.206 5.260 -0.054 2
1 1101 . 1 1 A 93 93 ILE CB C 93 40.963 41.436 -0.473 2
1 1113 . 1 1 A 93 93 ILE C C 93 174.400 174.802 -0.402 2
1 1115 . 1 1 A 94 94 LEU N N 94 127.940 127.010 0.930 2
1 1116 . 1 1 A 94 94 LEU H H 94 8.853 8.944 -0.091 2
1 1117 . 1 1 A 94 94 LEU CA C 94 53.673 53.322 0.351 2
1 1118 . 1 1 A 94 94 LEU HA H 94 5.152 5.148 0.004 2
1 1119 . 1 1 A 94 94 LEU CB C 94 44.245 43.431 0.814 2
1 1131 . 1 1 A 94 94 LEU C C 94 176.106 175.867 0.239 2
1 1133 . 1 1 A 95 95 ASN N N 95 119.567 122.690 -3.123 2
1 1134 . 1 1 A 95 95 ASN H H 95 9.271 8.989 0.282 2
1 1135 . 1 1 A 95 95 ASN CA C 95 49.634 50.806 -1.172 2
1 1136 . 1 1 A 95 95 ASN HA H 95 5.361 5.270 0.091 2
1 1137 . 1 1 A 95 95 ASN CB C 95 39.189 39.169 0.020 2
1 1142 . 1 1 A 95 95 ASN C C 95 173.779 173.923 -0.144 2
1 1144 . 1 1 A 96 96 PRO CA C 96 64.795 64.430 0.365 2
1 1145 . 1 1 A 96 96 PRO HA H 96 4.306 4.490 -0.184 2
1 1146 . 1 1 A 96 96 PRO CB C 96 32.010 31.915 0.095 2
1 1152 . 1 1 A 96 96 PRO C C 96 177.656 177.482 0.174 2
1 1156 . 1 1 A 97 97 ASN N N 97 114.343 114.689 -0.346 2
1 1157 . 1 1 A 97 97 ASN H H 97 8.840 7.825 1.015 2
1 1158 . 1 1 A 97 97 ASN CA C 97 52.889 52.945 -0.056 2
1 1159 . 1 1 A 97 97 ASN HA H 97 4.828 4.795 0.032 2
1 1160 . 1 1 A 97 97 ASN CB C 97 38.085 38.687 -0.602 2
1 1165 . 1 1 A 97 97 ASN C C 97 174.361 174.631 -0.270 2
1 1167 . 1 1 A 98 98 LYS N N 98 118.175 116.031 2.144 2
1 1168 . 1 1 A 98 98 LYS H H 98 7.735 7.596 0.139 2
1 1169 . 1 1 A 98 98 LYS CA C 98 57.625 57.253 0.372 2
1 1170 . 1 1 A 98 98 LYS HA H 98 3.780 3.909 -0.129 2
1 1171 . 1 1 A 98 98 LYS CB C 98 29.343 29.403 -0.060 2
1 1179 . 1 1 A 98 98 LYS C C 98 174.779 174.848 -0.069 2
1 1184 . 1 1 A 99 99 ALA N N 99 122.321 121.222 1.099 2
1 1185 . 1 1 A 99 99 ALA H H 99 8.454 7.855 0.599 2
1 1186 . 1 1 A 99 99 ALA CA C 99 49.893 48.947 0.946 2
1 1187 . 1 1 A 99 99 ALA HA H 99 4.415 4.649 -0.234 2
1 1188 . 1 1 A 99 99 ALA CB C 99 18.125 20.311 -2.186 2
1 1192 . 1 1 A 99 99 ALA C C 99 175.018 176.087 -1.068 2
1 1193 . 1 1 A 100 100 PRO CA C 100 62.082 62.383 -0.300 2
1 1194 . 1 1 A 100 100 PRO CB C 100 31.068 30.230 0.838 2
1 1203 . 1 1 A 101 101 LEU H H 101 5.223 8.474 -3.251 2
1 1204 . 1 1 A 101 101 LEU CA C 101 55.181 53.363 1.818 2
1 1205 . 1 1 A 101 101 LEU HA H 101 3.758 4.845 -1.087 2
1 1206 . 1 1 A 101 101 LEU CB C 101 43.103 43.371 -0.268 2
1 1218 . 1 1 A 101 101 LEU C C 101 174.350 176.358 -2.008 2
1 1220 . 1 1 A 102 102 ARG N N 102 122.304 119.063 3.241 2
1 1221 . 1 1 A 102 102 ARG H H 102 6.412 8.539 -2.127 2
1 1222 . 1 1 A 102 102 ARG CA C 102 54.659 54.452 0.208 2
1 1223 . 1 1 A 102 102 ARG HA H 102 4.500 4.989 -0.489 2
1 1224 . 1 1 A 102 102 ARG CB C 102 33.168 32.911 0.256 2
1 1230 . 1 1 A 102 102 ARG C C 102 173.625 174.512 -0.887 2
1 1234 . 1 1 A 103 103 LEU N N 103 119.849 122.662 -2.813 2
1 1235 . 1 1 A 103 103 LEU H H 103 8.301 8.722 -0.421 2
1 1236 . 1 1 A 103 103 LEU CA C 103 53.667 53.788 -0.121 2
1 1237 . 1 1 A 103 103 LEU HA H 103 4.886 5.056 -0.170 2
1 1238 . 1 1 A 103 103 LEU CB C 103 47.097 46.375 0.722 2
1 1250 . 1 1 A 103 103 LEU C C 103 173.874 173.811 0.063 2
1 1252 . 1 1 A 104 104 LYS N N 104 126.165 127.808 -1.643 2
1 1253 . 1 1 A 104 104 LYS H H 104 8.516 8.842 -0.326 2
1 1254 . 1 1 A 104 104 LYS CA C 104 55.117 54.941 0.176 2
1 1255 . 1 1 A 104 104 LYS HA H 104 4.773 4.998 -0.225 2
1 1256 . 1 1 A 104 104 LYS CB C 104 34.581 34.362 0.219 2
1 1264 . 1 1 A 104 104 LYS C C 104 174.980 174.907 0.073 2
1 1269 . 1 1 A 105 105 LEU N N 105 125.172 127.521 -2.349 2
1 1270 . 1 1 A 105 105 LEU H H 105 8.586 8.812 -0.226 2
1 1271 . 1 1 A 105 105 LEU CA C 105 53.059 53.236 -0.177 2
1 1272 . 1 1 A 105 105 LEU HA H 105 4.923 4.919 0.004 2
1 1273 . 1 1 A 105 105 LEU CB C 105 44.358 44.193 0.165 2
1 1285 . 1 1 A 105 105 LEU C C 105 174.037 174.916 -0.879 2
1 1287 . 1 1 A 106 106 ARG N N 106 119.880 125.395 -5.515 2
1 1288 . 1 1 A 106 106 ARG H H 106 8.363 9.142 -0.779 2
1 1289 . 1 1 A 106 106 ARG CA C 106 54.374 54.365 0.009 2
1 1290 . 1 1 A 106 106 ARG HA H 106 4.926 4.868 0.058 2
1 1291 . 1 1 A 106 106 ARG CB C 106 32.783 33.272 -0.489 2
1 1297 . 1 1 A 106 106 ARG C C 106 174.611 174.371 0.240 2
1 1301 . 1 1 A 107 107 LEU N N 107 128.498 127.464 1.034 2
1 1302 . 1 1 A 107 107 LEU H H 107 9.260 8.738 0.522 2
1 1303 . 1 1 A 107 107 LEU CA C 107 52.942 53.494 -0.552 2
1 1304 . 1 1 A 107 107 LEU HA H 107 5.110 5.262 -0.152 2
1 1305 . 1 1 A 107 107 LEU CB C 107 45.279 44.528 0.751 2
1 1317 . 1 1 A 107 107 LEU C C 107 175.494 175.781 -0.287 2
1 1319 . 1 1 A 108 108 THR N N 108 114.947 115.829 -0.882 2
1 1320 . 1 1 A 108 108 THR H H 108 8.424 8.570 -0.146 2
1 1321 . 1 1 A 108 108 THR CA C 108 59.201 60.578 -1.377 2
1 1322 . 1 1 A 108 108 THR HA H 108 5.344 5.314 0.030 2
1 1323 . 1 1 A 108 108 THR CB C 108 71.413 71.130 0.283 2
1 1329 . 1 1 A 108 108 THR C C 108 172.424 173.010 -0.586 2
1 1330 . 1 1 A 109 109 TYR N N 109 114.691 120.124 -5.432 2
1 1331 . 1 1 A 109 109 TYR H H 109 8.056 8.501 -0.445 2
1 1332 . 1 1 A 109 109 TYR CA C 109 57.133 55.991 1.142 2
1 1333 . 1 1 A 109 109 TYR HA H 109 4.769 5.267 -0.498 2
1 1334 . 1 1 A 109 109 TYR CB C 109 38.008 40.583 -2.575 2
1 1344 . 1 1 A 109 109 TYR C C 109 171.790 171.928 -0.138 2
1 1346 . 1 1 A 110 110 ASP N N 110 119.179 120.365 -1.186 2
1 1347 . 1 1 A 110 110 ASP H H 110 9.332 8.883 0.449 2
1 1348 . 1 1 A 110 110 ASP CA C 110 53.147 53.244 -0.097 2
1 1349 . 1 1 A 110 110 ASP HA H 110 5.855 5.695 0.160 2
1 1350 . 1 1 A 110 110 ASP CB C 110 42.179 43.661 -1.482 2
1 1352 . 1 1 A 110 110 ASP C C 110 176.257 174.694 1.563 2
1 1354 . 1 1 A 111 111 HIS N N 111 122.092 124.766 -2.674 2
1 1355 . 1 1 A 111 111 HIS H H 111 8.993 9.301 -0.308 2
1 1356 . 1 1 A 111 111 HIS CA C 111 55.365 55.587 -0.222 2
1 1357 . 1 1 A 111 111 HIS HA H 111 4.768 5.015 -0.247 2
1 1358 . 1 1 A 111 111 HIS CB C 111 36.414 33.252 3.162 2
1 1364 . 1 1 A 111 111 HIS C C 111 175.420 174.551 0.869 2
1 1366 . 1 1 A 112 112 PHE N N 112 129.361 125.188 4.173 2
1 1367 . 1 1 A 112 112 PHE H H 112 10.128 9.487 0.641 2
1 1368 . 1 1 A 112 112 PHE CA C 112 59.353 58.795 0.558 2
1 1369 . 1 1 A 112 112 PHE HA H 112 3.972 3.966 0.006 2
1 1370 . 1 1 A 112 112 PHE CB C 112 36.136 36.654 -0.518 2
1 1382 . 1 1 A 112 112 PHE C C 112 175.288 175.052 0.237 2
1 1384 . 1 1 A 113 113 HIS N N 113 109.753 109.095 0.658 2
1 1385 . 1 1 A 113 113 HIS H H 113 8.856 8.373 0.483 2
1 1386 . 1 1 A 113 113 HIS CA C 113 57.593 56.750 0.843 2
1 1387 . 1 1 A 113 113 HIS HA H 113 4.168 4.184 -0.016 2
1 1388 . 1 1 A 113 113 HIS CB C 113 27.575 26.952 0.623 2
1 1394 . 1 1 A 113 113 HIS C C 113 174.146 173.753 0.393 2
1 1396 . 1 1 A 114 114 GLN N N 114 118.510 116.733 1.777 2
1 1397 . 1 1 A 114 114 GLN H H 114 7.930 7.718 0.212 2
1 1398 . 1 1 A 114 114 GLN CA C 114 54.303 54.571 -0.268 2
1 1399 . 1 1 A 114 114 GLN HA H 114 4.674 4.809 -0.135 2
1 1400 . 1 1 A 114 114 GLN CB C 114 31.548 32.629 -1.081 2
1 1407 . 1 1 A 114 114 GLN C C 114 174.702 174.561 0.141 2
1 1410 . 1 1 A 115 115 SER N N 115 118.183 118.430 -0.247 2
1 1411 . 1 1 A 115 115 SER H H 115 8.528 8.723 -0.195 2
1 1412 . 1 1 A 115 115 SER CA C 115 57.665 58.111 -0.446 2
1 1413 . 1 1 A 115 115 SER HA H 115 5.112 4.794 0.318 2
1 1414 . 1 1 A 115 115 SER CB C 115 63.266 63.674 -0.408 2
1 1416 . 1 1 A 115 115 SER C C 115 174.157 173.810 0.347 2
1 1418 . 1 1 A 116 116 VAL N N 116 130.788 126.524 4.264 2
1 1419 . 1 1 A 116 116 VAL H H 116 9.445 8.924 0.521 2
1 1420 . 1 1 A 116 116 VAL CA C 116 62.375 61.332 1.043 2
1 1421 . 1 1 A 116 116 VAL HA H 116 3.870 4.517 -0.647 2
1 1422 . 1 1 A 116 116 VAL CB C 116 32.564 32.806 -0.242 2
1 1432 . 1 1 A 116 116 VAL C C 116 175.674 174.176 1.498 2
1 1433 . 1 1 A 117 117 GLN N N 117 127.278 128.721 -1.443 2
1 1434 . 1 1 A 117 117 GLN H H 117 8.612 9.005 -0.393 2
1 1435 . 1 1 A 117 117 GLN CA C 117 55.004 54.349 0.655 2
1 1436 . 1 1 A 117 117 GLN HA H 117 5.170 5.107 0.063 2
1 1437 . 1 1 A 117 117 GLN CB C 117 31.166 31.279 -0.113 2
1 1444 . 1 1 A 117 117 GLN C C 117 174.229 174.325 -0.096 2
1 1447 . 1 1 A 118 118 GLU N N 118 125.633 125.572 0.061 2
1 1448 . 1 1 A 118 118 GLU H H 118 8.960 8.751 0.209 2
1 1449 . 1 1 A 118 118 GLU CA C 118 54.799 54.900 -0.101 2
1 1450 . 1 1 A 118 118 GLU HA H 118 4.869 5.108 -0.239 2
1 1451 . 1 1 A 118 118 GLU CB C 118 33.675 32.550 1.125 2
1 1455 . 1 1 A 118 118 GLU C C 118 174.340 175.318 -0.978 2
1 1458 . 1 1 A 119 119 ILE N N 119 123.525 124.680 -1.155 2
1 1459 . 1 1 A 119 119 ILE H H 119 8.683 8.993 -0.310 2
1 1460 . 1 1 A 119 119 ILE CA C 119 60.005 60.173 -0.168 2
1 1461 . 1 1 A 119 119 ILE HA H 119 5.157 4.679 0.478 2
1 1462 . 1 1 A 119 119 ILE CB C 119 40.761 39.674 1.087 2
1 1474 . 1 1 A 119 119 ILE C C 119 175.386 175.273 0.113 2
1 1476 . 1 1 A 120 120 PHE N N 120 122.954 123.831 -0.877 2
1 1477 . 1 1 A 120 120 PHE H H 120 8.647 8.229 0.417 2
1 1478 . 1 1 A 120 120 PHE CA C 120 55.754 55.145 0.609 2
1 1479 . 1 1 A 120 120 PHE HA H 120 5.064 5.548 -0.484 2
1 1480 . 1 1 A 120 120 PHE CB C 120 39.904 42.623 -2.719 2
1 1492 . 1 1 A 120 120 PHE C C 120 172.536 172.837 -0.301 2
1 1494 . 1 1 A 121 121 GLU N N 121 120.205 119.437 0.768 2
1 1495 . 1 1 A 121 121 GLU H H 121 8.807 8.829 -0.022 2
1 1496 . 1 1 A 121 121 GLU CA C 121 54.976 55.078 -0.102 2
1 1497 . 1 1 A 121 121 GLU HA H 121 4.795 5.032 -0.237 2
1 1498 . 1 1 A 121 121 GLU CB C 121 31.537 32.872 -1.335 2
1 1502 . 1 1 A 121 121 GLU C C 121 175.979 175.824 0.155 2
1 1505 . 1 1 A 122 122 VAL N N 122 124.567 124.916 -0.349 2
1 1506 . 1 1 A 122 122 VAL H H 122 8.818 8.837 -0.019 2
1 1507 . 1 1 A 122 122 VAL CA C 122 62.536 63.363 -0.827 2
1 1508 . 1 1 A 122 122 VAL HA H 122 4.300 4.172 0.128 2
1 1509 . 1 1 A 122 122 VAL CB C 122 32.136 31.395 0.741 2
1 1519 . 1 1 A 122 122 VAL C C 122 175.324 176.698 -1.374 2
1 1520 . 1 1 A 123 123 ASN N N 123 125.013 122.493 2.520 2
1 1521 . 1 1 A 123 123 ASN H H 123 8.770 8.770 -0.000 2
1 1522 . 1 1 A 123 123 ASN CA C 123 52.889 52.664 0.225 2
1 1523 . 1 1 A 123 123 ASN HA H 123 5.072 5.025 0.047 2
1 1524 . 1 1 A 123 123 ASN CB C 123 40.114 39.149 0.965 2
1 1529 . 1 1 A 123 123 ASN C C 123 174.799 175.717 -0.918 2
1 1531 . 1 1 A 124 124 ASN N N 124 117.247 116.965 0.282 2
1 1532 . 1 1 A 124 124 ASN H H 124 8.599 8.175 0.424 2
1 1533 . 1 1 A 124 124 ASN CA C 124 52.853 52.502 0.351 2
1 1534 . 1 1 A 124 124 ASN HA H 124 4.721 4.892 -0.171 2
1 1535 . 1 1 A 124 124 ASN CB C 124 36.882 38.621 -1.739 2
1 1540 . 1 1 A 124 124 ASN C C 124 174.437 175.296 -0.859 2
1 1542 . 1 1 A 125 125 LEU N N 125 119.273 122.632 -3.359 2
1 1543 . 1 1 A 125 125 LEU H H 125 8.105 7.357 0.748 2
1 1544 . 1 1 A 125 125 LEU CA C 125 53.787 53.688 0.099 2
1 1545 . 1 1 A 125 125 LEU HA H 125 4.187 4.461 -0.274 2
1 1546 . 1 1 A 125 125 LEU CB C 125 40.398 41.330 -0.932 2
1 1558 . 1 1 A 125 125 LEU C C 125 175.528 174.711 0.817 2
1 1560 . 1 1 A 126 126 PRO CA C 126 62.439 62.511 -0.072 2
1 1561 . 1 1 A 126 126 PRO HA H 126 4.519 4.515 0.004 2
1 1562 . 1 1 A 126 126 PRO CB C 126 31.210 32.391 -1.181 2
1 1568 . 1 1 A 126 126 PRO C C 126 179.073 176.745 2.328 2
1 1572 . 1 1 A 127 127 VAL N N 127 124.759 121.599 3.160 2
1 1573 . 1 1 A 127 127 VAL H H 127 8.794 8.446 0.348 2
1 1574 . 1 1 A 127 127 VAL CA C 127 64.360 63.931 0.429 2
1 1575 . 1 1 A 127 127 VAL HA H 127 3.216 3.930 -0.714 2
1 1576 . 1 1 A 127 127 VAL CB C 127 30.825 31.906 -1.081 2
1 1586 . 1 1 A 127 127 VAL C C 127 176.789 176.978 -0.189 2
1 1587 . 1 1 A 128 128 GLU N N 128 119.892 122.226 -2.334 2
1 1588 . 1 1 A 128 128 GLU H H 128 9.460 8.103 1.357 2
1 1589 . 1 1 A 128 128 GLU CA C 128 59.216 59.198 0.018 2
1 1590 . 1 1 A 128 128 GLU HA H 128 3.831 3.742 0.089 2
1 1591 . 1 1 A 128 128 GLU CB C 128 29.188 29.183 0.005 2
1 1595 . 1 1 A 128 128 GLU C C 128 177.624 178.721 -1.098 2
1 1598 . 1 1 A 129 129 SER N N 129 112.727 114.295 -1.568 2
1 1599 . 1 1 A 129 129 SER H H 129 8.057 7.942 0.115 2
1 1600 . 1 1 A 129 129 SER CA C 129 61.024 61.334 -0.310 2
1 1601 . 1 1 A 129 129 SER HA H 129 3.925 4.156 -0.231 2
1 1602 . 1 1 A 129 129 SER CB C 129 64.440 62.337 2.103 2
1 1604 . 1 1 A 129 129 SER C C 129 173.147 176.138 -2.991 2
1 1606 . 1 1 A 130 130 TRP N N 130 117.092 119.233 -2.141 2
1 1607 . 1 1 A 130 130 TRP H H 130 7.184 7.718 -0.534 2
1 1608 . 1 1 A 130 130 TRP CA C 130 57.027 58.714 -1.687 2
1 1609 . 1 1 A 130 130 TRP HA H 130 4.974 4.683 0.291 2
1 1610 . 1 1 A 130 130 TRP CB C 130 31.384 30.137 1.247 2
1 1624 . 1 1 A 130 130 TRP C C 130 174.759 177.523 -2.764 2
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