data_15735_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15735
_Entry.PDB_ID 2K32
_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 2 . 1 1 1 A 2 2 VAL H H 2 8.608 8.170 0.438 1
1 3 . 1 1 1 A 2 2 VAL HA H 2 4.472 4.116 0.356 1
1 11 . 1 1 1 A 2 2 VAL CA C 2 61.161 62.609 -1.448 1
1 12 . 1 1 1 A 2 2 VAL CB C 2 35.825 32.493 3.332 1
1 15 . 1 1 1 A 2 2 VAL N N 2 117.995 117.950 0.045 1
1 16 . 1 1 1 A 3 3 ILE H H 3 8.424 8.847 -0.423 1
1 17 . 1 1 1 A 3 3 ILE HA H 3 4.489 4.587 -0.098 1
1 27 . 1 1 1 A 3 3 ILE CA C 3 60.273 60.481 -0.208 1
1 28 . 1 1 1 A 3 3 ILE CB C 3 38.595 38.725 -0.130 1
1 32 . 1 1 1 A 3 3 ILE N N 3 125.647 126.589 -0.942 1
1 33 . 1 1 1 A 4 4 ILE H H 4 8.531 8.767 -0.236 1
1 34 . 1 1 1 A 4 4 ILE HA H 4 3.990 4.102 -0.112 1
1 44 . 1 1 1 A 4 4 ILE CA C 4 61.656 61.919 -0.263 1
1 45 . 1 1 1 A 4 4 ILE CB C 4 38.183 38.524 -0.341 1
1 49 . 1 1 1 A 4 4 ILE N N 4 127.472 130.394 -2.922 1
1 50 . 1 1 1 A 5 5 LYS H H 5 8.277 8.830 -0.553 1
1 51 . 1 1 1 A 5 5 LYS HA H 5 5.164 4.722 0.442 1
1 60 . 1 1 1 A 5 5 LYS CA C 5 53.440 52.918 0.522 1
1 61 . 1 1 1 A 5 5 LYS CB C 5 33.808 35.360 -1.552 1
1 65 . 1 1 1 A 5 5 LYS N N 5 126.697 126.741 -0.044 1
1 66 . 1 1 1 A 6 6 PRO HA H 6 4.370 4.696 -0.326 1
1 73 . 1 1 1 A 6 6 PRO CA C 6 62.493 62.110 0.383 1
1 74 . 1 1 1 A 6 6 PRO CB C 6 32.091 32.701 -0.610 1
1 77 . 1 1 1 A 7 7 GLN H H 7 9.334 8.333 1.001 1
1 78 . 1 1 1 A 7 7 GLN HA H 7 4.348 4.116 0.232 1
1 85 . 1 1 1 A 7 7 GLN CA C 7 56.384 56.635 -0.251 1
1 86 . 1 1 1 A 7 7 GLN CB C 7 28.934 28.171 0.763 1
1 88 . 1 1 1 A 7 7 GLN N N 7 119.944 119.020 0.924 1
1 90 . 1 1 1 A 8 8 VAL H H 8 7.021 7.368 -0.347 1
1 91 . 1 1 1 A 8 8 VAL HA H 8 4.476 4.858 -0.382 1
1 99 . 1 1 1 A 8 8 VAL CA C 8 58.999 58.847 0.152 1
1 100 . 1 1 1 A 8 8 VAL CB C 8 35.347 36.020 -0.673 1
1 103 . 1 1 1 A 8 8 VAL N N 8 111.118 115.324 -4.206 1
1 104 . 1 1 1 A 9 9 SER H H 9 8.155 8.605 -0.450 1
1 105 . 1 1 1 A 9 9 SER HA H 9 4.945 5.160 -0.215 1
1 108 . 1 1 1 A 9 9 SER CA C 9 56.704 56.139 0.565 1
1 109 . 1 1 1 A 9 9 SER CB C 9 64.645 65.759 -1.114 1
1 110 . 1 1 1 A 9 9 SER N N 9 114.983 115.219 -0.236 1
1 111 . 1 1 1 A 10 10 GLY H H 10 7.981 8.277 -0.296 1
1 112 . 1 1 1 A 10 10 GLY HA2 H 10 4.416 4.032 0.384 1
1 113 . 1 1 1 A 10 10 GLY HA3 H 10 3.643 4.104 -0.461 1
1 114 . 1 1 1 A 10 10 GLY CA C 10 45.433 44.868 0.565 1
1 115 . 1 1 1 A 10 10 GLY N N 10 108.602 107.257 1.345 1
1 116 . 1 1 1 A 11 11 VAL H H 11 8.018 7.970 0.048 1
1 117 . 1 1 1 A 11 11 VAL HA H 11 4.740 4.694 0.046 1
1 125 . 1 1 1 A 11 11 VAL CA C 11 60.580 60.604 -0.024 1
1 126 . 1 1 1 A 11 11 VAL CB C 11 35.124 35.749 -0.625 1
1 129 . 1 1 1 A 11 11 VAL N N 11 118.346 120.481 -2.135 1
1 130 . 1 1 1 A 12 12 ILE H H 12 8.452 8.577 -0.125 1
1 131 . 1 1 1 A 12 12 ILE HA H 12 4.042 4.227 -0.185 1
1 141 . 1 1 1 A 12 12 ILE CA C 12 60.400 62.125 -1.725 1
1 142 . 1 1 1 A 12 12 ILE CB C 12 35.725 38.062 -2.337 1
1 146 . 1 1 1 A 12 12 ILE N N 12 125.267 125.710 -0.443 1
1 147 . 1 1 1 A 13 13 VAL H H 13 8.900 9.274 -0.374 1
1 148 . 1 1 1 A 13 13 VAL HA H 13 4.492 4.322 0.170 1
1 156 . 1 1 1 A 13 13 VAL CA C 13 62.168 63.386 -1.218 1
1 157 . 1 1 1 A 13 13 VAL CB C 13 33.406 33.888 -0.482 1
1 160 . 1 1 1 A 13 13 VAL N N 13 124.539 125.398 -0.859 1
1 161 . 1 1 1 A 14 14 ASN H H 14 7.649 7.464 0.185 1
1 162 . 1 1 1 A 14 14 ASN HA H 14 4.805 5.158 -0.353 1
1 167 . 1 1 1 A 14 14 ASN CA C 14 52.950 52.267 0.683 1
1 168 . 1 1 1 A 14 14 ASN CB C 14 42.149 41.907 0.242 1
1 169 . 1 1 1 A 14 14 ASN N N 14 115.008 116.522 -1.514 1
1 171 . 1 1 1 A 15 15 LYS H H 15 8.393 8.549 -0.156 1
1 172 . 1 1 1 A 15 15 LYS HA H 15 4.640 4.730 -0.090 1
1 179 . 1 1 1 A 15 15 LYS CA C 15 55.987 54.917 1.070 1
1 180 . 1 1 1 A 15 15 LYS CB C 15 35.412 33.419 1.993 1
1 183 . 1 1 1 A 15 15 LYS N N 15 123.820 121.927 1.893 1
1 184 . 1 1 1 A 16 16 LEU H H 16 8.015 8.334 -0.319 1
1 185 . 1 1 1 A 16 16 LEU HA H 16 4.983 3.922 1.061 1
1 195 . 1 1 1 A 16 16 LEU CA C 16 55.202 57.764 -2.562 1
1 196 . 1 1 1 A 16 16 LEU CB C 16 41.471 41.868 -0.397 1
1 200 . 1 1 1 A 16 16 LEU N N 16 126.200 126.285 -0.085 1
1 201 . 1 1 1 A 17 17 PHE H H 17 6.522 7.235 -0.713 1
1 202 . 1 1 1 A 17 17 PHE HA H 17 4.858 4.441 0.417 1
1 210 . 1 1 1 A 17 17 PHE CA C 17 55.675 56.675 -1.000 1
1 211 . 1 1 1 A 17 17 PHE CB C 17 41.329 40.473 0.856 1
1 212 . 1 1 1 A 17 17 PHE N N 17 113.650 116.562 -2.912 1
1 213 . 1 1 1 A 18 18 LYS H H 18 8.648 8.866 -0.218 1
1 214 . 1 1 1 A 18 18 LYS HA H 18 4.325 4.400 -0.075 1
1 223 . 1 1 1 A 18 18 LYS CA C 18 54.442 53.834 0.608 1
1 224 . 1 1 1 A 18 18 LYS CB C 18 35.233 35.835 -0.602 1
1 228 . 1 1 1 A 18 18 LYS N N 18 120.586 118.167 2.419 1
1 229 . 1 1 1 A 19 19 ALA H H 19 8.396 8.337 0.059 1
1 230 . 1 1 1 A 19 19 ALA HA H 19 3.956 4.203 -0.247 1
1 234 . 1 1 1 A 19 19 ALA CA C 19 54.151 53.908 0.243 1
1 235 . 1 1 1 A 19 19 ALA CB C 19 18.681 18.345 0.336 1
1 236 . 1 1 1 A 19 19 ALA N N 19 123.901 126.862 -2.961 1
1 237 . 1 1 1 A 20 20 GLY H H 20 8.806 8.726 0.080 1
1 238 . 1 1 1 A 20 20 GLY HA2 H 20 4.299 4.003 0.296 1
1 239 . 1 1 1 A 20 20 GLY HA3 H 20 3.523 4.027 -0.504 1
1 240 . 1 1 1 A 20 20 GLY CA C 20 45.190 45.122 0.068 1
1 241 . 1 1 1 A 20 20 GLY N N 20 112.460 112.072 0.388 1
1 242 . 1 1 1 A 21 21 ASP H H 21 7.923 7.884 0.039 1
1 243 . 1 1 1 A 21 21 ASP HA H 21 4.489 4.844 -0.355 1
1 246 . 1 1 1 A 21 21 ASP CA C 21 55.477 52.850 2.627 1
1 247 . 1 1 1 A 21 21 ASP CB C 21 41.593 42.826 -1.233 1
1 248 . 1 1 1 A 21 21 ASP N N 21 121.531 121.961 -0.430 1
1 249 . 1 1 1 A 22 22 LYS H H 22 8.292 8.366 -0.074 1
1 250 . 1 1 1 A 22 22 LYS HA H 22 4.861 4.975 -0.114 1
1 259 . 1 1 1 A 22 22 LYS CA C 22 55.789 54.563 1.226 1
1 260 . 1 1 1 A 22 22 LYS CB C 22 31.948 35.654 -3.706 1
1 264 . 1 1 1 A 22 22 LYS N N 22 120.223 119.717 0.506 1
1 265 . 1 1 1 A 23 23 VAL H H 23 8.929 8.952 -0.023 1
1 266 . 1 1 1 A 23 23 VAL HA H 23 4.828 4.759 0.069 1
1 274 . 1 1 1 A 23 23 VAL CA C 23 58.619 59.191 -0.572 1
1 275 . 1 1 1 A 23 23 VAL CB C 23 34.776 35.658 -0.882 1
1 278 . 1 1 1 A 23 23 VAL N N 23 117.770 118.676 -0.906 1
1 279 . 1 1 1 A 24 24 LYS H H 24 7.952 8.424 -0.472 1
1 280 . 1 1 1 A 24 24 LYS HA H 24 4.828 4.398 0.430 1
1 289 . 1 1 1 A 24 24 LYS CA C 24 53.316 55.917 -2.601 1
1 290 . 1 1 1 A 24 24 LYS CB C 24 35.370 33.369 2.001 1
1 294 . 1 1 1 A 24 24 LYS N N 24 121.890 123.806 -1.916 1
1 295 . 1 1 1 A 25 25 LYS H H 25 8.903 8.702 0.201 1
1 296 . 1 1 1 A 25 25 LYS HA H 25 3.152 4.372 -1.220 1
1 304 . 1 1 1 A 25 25 LYS CA C 25 58.780 56.017 2.763 1
1 305 . 1 1 1 A 25 25 LYS CB C 25 32.788 31.306 1.482 1
1 309 . 1 1 1 A 25 25 LYS N N 25 121.717 121.346 0.371 1
1 310 . 1 1 1 A 26 26 GLY H H 26 8.887 8.202 0.685 1
1 311 . 1 1 1 A 26 26 GLY HA2 H 26 4.277 3.987 0.290 1
1 312 . 1 1 1 A 26 26 GLY HA3 H 26 3.462 4.007 -0.545 1
1 313 . 1 1 1 A 26 26 GLY CA C 26 45.387 44.966 0.421 1
1 314 . 1 1 1 A 26 26 GLY N N 26 115.271 107.110 8.161 1
1 315 . 1 1 1 A 27 27 GLN H H 27 8.423 7.921 0.502 1
1 316 . 1 1 1 A 27 27 GLN HA H 27 4.134 4.289 -0.155 1
1 323 . 1 1 1 A 27 27 GLN CA C 27 56.461 55.951 0.510 1
1 324 . 1 1 1 A 27 27 GLN CB C 27 30.655 29.288 1.367 1
1 326 . 1 1 1 A 27 27 GLN N N 27 123.160 120.551 2.609 1
1 328 . 1 1 1 A 28 28 THR H H 28 9.094 8.712 0.382 1
1 329 . 1 1 1 A 28 28 THR HA H 28 3.884 4.148 -0.264 1
1 334 . 1 1 1 A 28 28 THR CA C 28 66.017 64.407 1.610 1
1 335 . 1 1 1 A 28 28 THR CB C 28 68.577 68.968 -0.391 1
1 337 . 1 1 1 A 28 28 THR N N 28 124.723 120.399 4.324 1
1 338 . 1 1 1 A 29 29 LEU H H 29 9.499 9.398 0.101 1
1 339 . 1 1 1 A 29 29 LEU HA H 29 4.373 4.388 -0.015 1
1 349 . 1 1 1 A 29 29 LEU CA C 29 55.960 55.665 0.295 1
1 350 . 1 1 1 A 29 29 LEU CB C 29 44.601 43.145 1.456 1
1 354 . 1 1 1 A 29 29 LEU N N 29 125.894 127.194 -1.300 1
1 355 . 1 1 1 A 30 30 PHE H H 30 7.572 7.627 -0.055 1
1 356 . 1 1 1 A 30 30 PHE HA H 30 5.360 5.411 -0.051 1
1 364 . 1 1 1 A 30 30 PHE CA C 30 55.655 56.064 -0.409 1
1 365 . 1 1 1 A 30 30 PHE CB C 30 45.053 43.227 1.826 1
1 366 . 1 1 1 A 30 30 PHE N N 30 111.166 114.737 -3.571 1
1 367 . 1 1 1 A 31 31 ILE H H 31 7.850 8.437 -0.587 1
1 368 . 1 1 1 A 31 31 ILE HA H 31 4.808 4.897 -0.089 1
1 378 . 1 1 1 A 31 31 ILE CA C 31 60.159 59.298 0.861 1
1 379 . 1 1 1 A 31 31 ILE CB C 31 39.584 41.736 -2.152 1
1 383 . 1 1 1 A 31 31 ILE N N 31 119.419 119.972 -0.553 1
1 384 . 1 1 1 A 32 32 ILE H H 32 9.095 9.032 0.063 1
1 385 . 1 1 1 A 32 32 ILE HA H 32 4.830 5.238 -0.408 1
1 395 . 1 1 1 A 32 32 ILE CA C 32 59.205 59.691 -0.486 1
1 396 . 1 1 1 A 32 32 ILE CB C 32 42.206 41.453 0.753 1
1 400 . 1 1 1 A 32 32 ILE N N 32 127.930 126.530 1.400 1
1 401 . 1 1 1 A 33 33 GLU H H 33 9.089 9.111 -0.022 1
1 402 . 1 1 1 A 33 33 GLU HA H 33 4.674 5.153 -0.479 1
1 407 . 1 1 1 A 33 33 GLU CA C 33 55.047 54.772 0.275 1
1 408 . 1 1 1 A 33 33 GLU CB C 33 31.851 32.640 -0.789 1
1 410 . 1 1 1 A 33 33 GLU N N 33 128.159 126.216 1.943 1
1 411 . 1 1 1 A 34 34 GLN H H 34 8.705 8.972 -0.267 1
1 412 . 1 1 1 A 34 34 GLN HA H 34 4.362 4.426 -0.064 1
1 419 . 1 1 1 A 34 34 GLN CA C 34 56.933 55.708 1.225 1
1 420 . 1 1 1 A 34 34 GLN CB C 34 30.273 28.571 1.702 1
1 422 . 1 1 1 A 34 34 GLN N N 34 128.144 125.615 2.529 1
1 424 . 1 1 1 A 35 35 ASP H H 35 8.488 8.432 0.056 1
1 425 . 1 1 1 A 35 35 ASP HA H 35 4.608 4.509 0.099 1
1 428 . 1 1 1 A 35 35 ASP CA C 35 54.124 57.188 -3.064 1
1 429 . 1 1 1 A 35 35 ASP CB C 35 41.702 40.597 1.105 1
1 430 . 1 1 1 A 35 35 ASP N N 35 122.441 118.167 4.274 1
1 431 . 1 1 1 A 36 36 GLN H H 36 8.604 8.349 0.255 1
1 432 . 1 1 1 A 36 36 GLN HA H 36 4.021 4.630 -0.609 1
1 439 . 1 1 1 A 36 36 GLN CA C 36 57.273 54.937 2.336 1
1 440 . 1 1 1 A 36 36 GLN CB C 36 29.266 29.553 -0.287 1
1 442 . 1 1 1 A 36 36 GLN N N 36 123.042 116.069 6.973 1
1 444 . 1 1 1 A 37 37 ALA H H 37 8.313 7.977 0.336 1
1 445 . 1 1 1 A 37 37 ALA HA H 37 4.212 4.113 0.099 1
1 449 . 1 1 1 A 37 37 ALA CA C 37 53.708 55.176 -1.468 1
1 450 . 1 1 1 A 37 37 ALA CB C 37 18.949 18.107 0.842 1
1 451 . 1 1 1 A 37 37 ALA N N 37 122.748 124.315 -1.567 1
1 452 . 1 1 1 A 38 38 SER H H 38 7.949 7.980 -0.031 1
1 453 . 1 1 1 A 38 38 SER HA H 38 4.285 4.452 -0.167 1
1 456 . 1 1 1 A 38 38 SER CA C 38 59.468 60.217 -0.749 1
1 457 . 1 1 1 A 38 38 SER CB C 38 63.874 63.299 0.575 1
1 458 . 1 1 1 A 38 38 SER N N 38 113.828 114.023 -0.195 1
1 459 . 1 1 1 A 39 39 LYS H H 39 8.107 7.965 0.142 1
1 460 . 1 1 1 A 39 39 LYS HA H 39 4.124 3.912 0.212 1
1 469 . 1 1 1 A 39 39 LYS CA C 39 57.821 59.915 -2.094 1
1 470 . 1 1 1 A 39 39 LYS CB C 39 32.978 32.324 0.654 1
1 474 . 1 1 1 A 39 39 LYS N N 39 122.900 122.386 0.514 1
1 475 . 1 1 1 A 40 40 ASP H H 40 8.173 7.938 0.235 1
1 476 . 1 1 1 A 40 40 ASP HA H 40 4.477 4.442 0.035 1
1 479 . 1 1 1 A 40 40 ASP CA C 40 55.164 56.762 -1.598 1
1 480 . 1 1 1 A 40 40 ASP CB C 40 41.359 40.838 0.521 1
1 481 . 1 1 1 A 40 40 ASP N N 40 119.696 119.606 0.090 1
1 482 . 1 1 1 A 41 41 PHE H H 41 8.022 8.108 -0.086 1
1 483 . 1 1 1 A 41 41 PHE HA H 41 4.376 4.215 0.161 1
1 488 . 1 1 1 A 41 41 PHE CA C 41 59.354 60.191 -0.837 1
1 489 . 1 1 1 A 41 41 PHE CB C 41 39.414 39.795 -0.381 1
1 490 . 1 1 1 A 41 41 PHE N N 41 121.310 120.432 0.878 1
1 491 . 1 1 1 A 42 42 ASN H H 42 8.247 8.790 -0.543 1
1 492 . 1 1 1 A 42 42 ASN HA H 42 4.483 4.401 0.082 1
1 497 . 1 1 1 A 42 42 ASN CA C 42 54.383 56.757 -2.374 1
1 498 . 1 1 1 A 42 42 ASN CB C 42 38.853 39.116 -0.263 1
1 499 . 1 1 1 A 42 42 ASN N N 42 119.282 117.580 1.702 1
1 501 . 1 1 1 A 43 43 ARG H H 43 8.048 8.018 0.030 1
1 502 . 1 1 1 A 43 43 ARG HA H 43 4.130 4.089 0.041 1
1 509 . 1 1 1 A 43 43 ARG CA C 43 57.429 59.864 -2.435 1
1 510 . 1 1 1 A 43 43 ARG CB C 43 30.503 29.874 0.629 1
1 513 . 1 1 1 A 43 43 ARG N N 43 121.050 119.120 1.930 1
1 514 . 1 1 1 A 44 44 SER H H 44 8.111 8.244 -0.133 1
1 515 . 1 1 1 A 44 44 SER HA H 44 4.262 4.206 0.056 1
1 518 . 1 1 1 A 44 44 SER CA C 44 59.660 60.886 -1.226 1
1 519 . 1 1 1 A 44 44 SER CB C 44 63.810 62.705 1.105 1
1 520 . 1 1 1 A 44 44 SER N N 44 115.587 114.236 1.351 1
1 521 . 1 1 1 A 45 45 LYS H H 45 7.968 7.843 0.125 1
1 522 . 1 1 1 A 45 45 LYS HA H 45 4.132 3.958 0.174 1
1 526 . 1 1 1 A 45 45 LYS CA C 45 57.193 58.880 -1.687 1
1 527 . 1 1 1 A 45 45 LYS CB C 45 32.534 31.768 0.766 1
1 529 . 1 1 1 A 45 45 LYS N N 45 122.205 119.263 2.942 1
1 530 . 1 1 1 A 46 46 ALA H H 46 7.936 8.225 -0.289 1
1 531 . 1 1 1 A 46 46 ALA HA H 46 4.179 4.079 0.100 1
1 535 . 1 1 1 A 46 46 ALA CA C 46 53.196 55.097 -1.901 1
1 536 . 1 1 1 A 46 46 ALA CB C 46 19.279 18.136 1.143 1
1 537 . 1 1 1 A 46 46 ALA N N 46 123.430 121.800 1.630 1
1 538 . 1 1 1 A 47 47 LEU H H 47 7.873 8.006 -0.133 1
1 539 . 1 1 1 A 47 47 LEU HA H 47 4.147 4.044 0.103 1
1 549 . 1 1 1 A 47 47 LEU CA C 47 55.854 57.852 -1.998 1
1 550 . 1 1 1 A 47 47 LEU CB C 47 42.536 42.579 -0.043 1
1 554 . 1 1 1 A 47 47 LEU N N 47 119.760 118.954 0.806 1
1 555 . 1 1 1 A 48 48 PHE H H 48 7.960 8.258 -0.298 1
1 556 . 1 1 1 A 48 48 PHE HA H 48 4.540 4.786 -0.246 1
1 561 . 1 1 1 A 48 48 PHE CA C 48 58.150 57.547 0.603 1
1 562 . 1 1 1 A 48 48 PHE CB C 48 39.499 41.320 -1.821 1
1 563 . 1 1 1 A 48 48 PHE N N 48 119.481 113.743 5.738 1
1 564 . 1 1 1 A 49 49 SER H H 49 8.011 8.187 -0.176 1
1 565 . 1 1 1 A 49 49 SER HA H 49 4.333 3.450 0.883 1
1 566 . 1 1 1 A 49 49 SER CA C 49 58.675 61.284 -2.609 1
1 567 . 1 1 1 A 49 49 SER N N 49 116.263 115.697 0.566 1
1 568 . 1 1 1 A 50 50 GLN H H 50 8.252 8.422 -0.170 1
1 569 . 1 1 1 A 50 50 GLN HA H 50 4.250 4.078 0.172 1
1 576 . 1 1 1 A 50 50 GLN CA C 50 56.570 58.247 -1.677 1
1 577 . 1 1 1 A 50 50 GLN CB C 50 29.372 28.142 1.230 1
1 579 . 1 1 1 A 50 50 GLN N N 50 121.890 119.601 2.289 1
1 581 . 1 1 1 A 51 51 SER H H 51 8.143 7.447 0.696 1
1 582 . 1 1 1 A 51 51 SER HA H 51 4.332 4.308 0.024 1
1 583 . 1 1 1 A 51 51 SER CA C 51 58.848 60.599 -1.751 1
1 584 . 1 1 1 A 51 51 SER N N 51 115.677 115.330 0.347 1
1 585 . 1 1 1 A 52 52 ALA H H 52 8.168 7.338 0.830 1
1 586 . 1 1 1 A 52 52 ALA HA H 52 4.261 4.315 -0.054 1
1 590 . 1 1 1 A 52 52 ALA CA C 52 53.119 51.764 1.355 1
1 591 . 1 1 1 A 52 52 ALA CB C 52 19.175 20.283 -1.108 1
1 592 . 1 1 1 A 52 52 ALA N N 52 125.354 122.700 2.654 1
1 593 . 1 1 1 A 53 53 ILE H H 53 7.858 8.212 -0.354 1
1 594 . 1 1 1 A 53 53 ILE HA H 53 4.094 4.524 -0.430 1
1 604 . 1 1 1 A 53 53 ILE CA C 53 61.666 61.075 0.591 1
1 605 . 1 1 1 A 53 53 ILE CB C 53 39.015 39.842 -0.827 1
1 609 . 1 1 1 A 53 53 ILE N N 53 118.218 116.773 1.445 1
1 610 . 1 1 1 A 54 54 SER H H 54 8.152 7.620 0.532 1
1 611 . 1 1 1 A 54 54 SER HA H 54 4.348 4.155 0.193 1
1 614 . 1 1 1 A 54 54 SER CA C 54 58.678 60.018 -1.340 1
1 615 . 1 1 1 A 54 54 SER CB C 54 64.002 63.847 0.155 1
1 616 . 1 1 1 A 54 54 SER N N 54 118.590 117.915 0.675 1
1 617 . 1 1 1 A 55 55 GLN H H 55 8.298 8.529 -0.231 1
1 618 . 1 1 1 A 55 55 GLN HA H 55 4.198 2.507 1.691 1
1 625 . 1 1 1 A 55 55 GLN CA C 55 56.690 57.355 -0.665 1
1 626 . 1 1 1 A 55 55 GLN CB C 55 29.393 28.044 1.349 1
1 628 . 1 1 1 A 55 55 GLN N N 55 122.154 123.137 -0.983 1
1 630 . 1 1 1 A 56 56 LYS H H 56 8.153 7.673 0.480 1
1 631 . 1 1 1 A 56 56 LYS HA H 56 4.161 4.505 -0.344 1
1 636 . 1 1 1 A 56 56 LYS CA C 56 57.174 55.732 1.442 1
1 637 . 1 1 1 A 56 56 LYS CB C 56 32.991 33.528 -0.537 1
1 639 . 1 1 1 A 56 56 LYS N N 56 121.127 117.725 3.402 1
1 640 . 1 1 1 A 57 57 GLU H H 57 8.201 7.954 0.247 1
1 641 . 1 1 1 A 57 57 GLU HA H 57 4.151 4.302 -0.151 1
1 646 . 1 1 1 A 57 57 GLU CA C 57 57.273 57.877 -0.604 1
1 647 . 1 1 1 A 57 57 GLU CB C 57 30.262 30.613 -0.351 1
1 649 . 1 1 1 A 57 57 GLU N N 57 120.626 118.060 2.566 1
1 650 . 1 1 1 A 58 58 TYR H H 58 8.057 8.467 -0.410 1
1 651 . 1 1 1 A 58 58 TYR HA H 58 4.375 4.377 -0.002 1
1 658 . 1 1 1 A 58 58 TYR CA C 58 58.721 59.208 -0.487 1
1 659 . 1 1 1 A 58 58 TYR CB C 58 39.096 37.217 1.879 1
1 660 . 1 1 1 A 58 58 TYR N N 58 120.841 118.447 2.394 1
1 661 . 1 1 1 A 59 59 ASP H H 59 8.144 8.513 -0.369 1
1 662 . 1 1 1 A 59 59 ASP HA H 59 4.493 4.377 0.116 1
1 665 . 1 1 1 A 59 59 ASP CA C 59 54.505 56.787 -2.282 1
1 666 . 1 1 1 A 59 59 ASP CB C 59 41.233 41.424 -0.191 1
1 667 . 1 1 1 A 59 59 ASP N N 59 122.549 122.513 0.036 1
1 668 . 1 1 1 A 60 60 SER H H 60 8.245 7.992 0.253 1
1 669 . 1 1 1 A 60 60 SER HA H 60 4.255 4.210 0.045 1
1 670 . 1 1 1 A 60 60 SER CA C 60 59.650 61.537 -1.887 1
1 671 . 1 1 1 A 60 60 SER N N 60 117.646 116.618 1.028 1
1 672 . 1 1 1 A 61 61 SER H H 61 8.329 8.135 0.194 1
1 673 . 1 1 1 A 61 61 SER HA H 61 4.307 4.262 0.045 1
1 676 . 1 1 1 A 61 61 SER CA C 61 59.882 61.309 -1.427 1
1 677 . 1 1 1 A 61 61 SER CB C 61 63.888 63.016 0.872 1
1 678 . 1 1 1 A 61 61 SER N N 61 118.138 119.155 -1.017 1
1 679 . 1 1 1 A 62 62 LEU H H 62 7.753 7.167 0.586 1
1 680 . 1 1 1 A 62 62 LEU HA H 62 4.227 4.157 0.070 1
1 690 . 1 1 1 A 62 62 LEU CA C 62 55.640 55.981 -0.341 1
1 691 . 1 1 1 A 62 62 LEU CB C 62 42.389 43.648 -1.259 1
1 695 . 1 1 1 A 62 62 LEU N N 62 122.616 118.394 4.222 1
1 696 . 1 1 1 A 63 63 ALA H H 63 7.908 7.824 0.084 1
1 697 . 1 1 1 A 63 63 ALA HA H 63 4.266 4.524 -0.258 1
1 701 . 1 1 1 A 63 63 ALA CA C 63 53.071 51.319 1.752 1
1 702 . 1 1 1 A 63 63 ALA CB C 63 19.373 20.444 -1.071 1
1 703 . 1 1 1 A 63 63 ALA N N 63 123.326 119.390 3.936 1
1 704 . 1 1 1 A 64 64 THR H H 64 7.855 8.014 -0.159 1
1 705 . 1 1 1 A 64 64 THR HA H 64 4.212 4.175 0.037 1
1 710 . 1 1 1 A 64 64 THR CA C 64 61.955 64.119 -2.164 1
1 711 . 1 1 1 A 64 64 THR CB C 64 69.997 67.526 2.471 1
1 713 . 1 1 1 A 64 64 THR N N 64 112.019 109.518 2.501 1
1 714 . 1 1 1 A 65 65 LEU H H 65 7.970 8.618 -0.648 1
1 715 . 1 1 1 A 65 65 LEU HA H 65 4.290 4.254 0.036 1
1 725 . 1 1 1 A 65 65 LEU CA C 65 55.509 53.920 1.589 1
1 726 . 1 1 1 A 65 65 LEU CB C 65 42.619 40.191 2.428 1
1 730 . 1 1 1 A 65 65 LEU N N 65 123.564 127.289 -3.725 1
1 731 . 1 1 1 A 66 66 ASP H H 66 8.271 8.102 0.169 1
1 732 . 1 1 1 A 66 66 ASP HA H 66 4.538 4.142 0.396 1
1 735 . 1 1 1 A 66 66 ASP CA C 66 54.906 55.043 -0.137 1
1 736 . 1 1 1 A 66 66 ASP CB C 66 41.384 39.179 2.205 1
1 737 . 1 1 1 A 66 66 ASP N N 66 120.385 114.203 6.182 1
1 738 . 1 1 1 A 67 67 HIS H H 67 8.020 7.653 0.367 1
1 739 . 1 1 1 A 67 67 HIS HA H 67 5.236 5.193 0.043 1
1 744 . 1 1 1 A 67 67 HIS CA C 67 55.411 55.768 -0.357 1
1 745 . 1 1 1 A 67 67 HIS CB C 67 32.135 32.499 -0.364 1
1 746 . 1 1 1 A 67 67 HIS N N 67 119.214 116.673 2.541 1
1 747 . 1 1 1 A 68 68 THR H H 68 8.903 8.912 -0.009 1
1 748 . 1 1 1 A 68 68 THR HA H 68 4.474 4.822 -0.348 1
1 753 . 1 1 1 A 68 68 THR CA C 68 62.536 61.097 1.439 1
1 754 . 1 1 1 A 68 68 THR CB C 68 71.267 72.436 -1.169 1
1 756 . 1 1 1 A 68 68 THR N N 68 117.138 114.866 2.272 1
1 757 . 1 1 1 A 69 69 GLU H H 69 8.630 8.767 -0.137 1
1 758 . 1 1 1 A 69 69 GLU HA H 69 4.480 5.192 -0.712 1
1 763 . 1 1 1 A 69 69 GLU CA C 69 56.016 55.361 0.655 1
1 764 . 1 1 1 A 69 69 GLU CB C 69 31.824 32.180 -0.356 1
1 766 . 1 1 1 A 69 69 GLU N N 69 124.226 123.753 0.473 1
1 767 . 1 1 1 A 70 70 ILE H H 70 8.589 8.787 -0.198 1
1 768 . 1 1 1 A 70 70 ILE HA H 70 4.405 5.010 -0.605 1
1 778 . 1 1 1 A 70 70 ILE CA C 70 59.367 59.705 -0.338 1
1 779 . 1 1 1 A 70 70 ILE CB C 70 37.492 40.907 -3.415 1
1 783 . 1 1 1 A 70 70 ILE N N 70 123.526 121.510 2.016 1
1 784 . 1 1 1 A 71 71 LYS H H 71 8.910 8.950 -0.040 1
1 785 . 1 1 1 A 71 71 LYS HA H 71 5.070 5.004 0.066 1
1 790 . 1 1 1 A 71 71 LYS CA C 71 54.732 54.372 0.360 1
1 791 . 1 1 1 A 71 71 LYS CB C 71 36.388 36.147 0.241 1
1 793 . 1 1 1 A 71 71 LYS N N 71 128.313 124.304 4.009 1
1 794 . 1 1 1 A 72 72 ALA H H 72 8.623 8.976 -0.353 1
1 795 . 1 1 1 A 72 72 ALA HA H 72 4.060 4.304 -0.244 1
1 799 . 1 1 1 A 72 72 ALA CA C 72 50.119 50.867 -0.748 1
1 800 . 1 1 1 A 72 72 ALA CB C 72 17.261 18.165 -0.904 1
1 801 . 1 1 1 A 72 72 ALA N N 72 123.091 122.588 0.503 1
1 802 . 1 1 1 A 73 73 PRO HA H 73 4.328 4.398 -0.070 1
1 809 . 1 1 1 A 73 73 PRO CA C 73 63.731 64.388 -0.657 1
1 810 . 1 1 1 A 73 73 PRO CB C 73 32.196 31.983 0.213 1
1 813 . 1 1 1 A 74 74 PHE H H 74 6.758 6.845 -0.087 1
1 814 . 1 1 1 A 74 74 PHE HA H 74 4.414 4.912 -0.498 1
1 821 . 1 1 1 A 74 74 PHE CA C 74 54.539 56.074 -1.535 1
1 822 . 1 1 1 A 74 74 PHE CB C 74 40.862 40.802 0.060 1
1 823 . 1 1 1 A 74 74 PHE N N 74 112.045 112.171 -0.126 1
1 824 . 1 1 1 A 75 75 ASP H H 75 8.563 9.005 -0.442 1
1 825 . 1 1 1 A 75 75 ASP HA H 75 4.915 4.703 0.212 1
1 828 . 1 1 1 A 75 75 ASP CA C 75 54.108 55.536 -1.428 1
1 829 . 1 1 1 A 75 75 ASP CB C 75 41.011 41.609 -0.598 1
1 830 . 1 1 1 A 75 75 ASP N N 75 118.284 120.347 -2.063 1
1 831 . 1 1 1 A 76 76 GLY H H 76 8.340 8.254 0.086 1
1 832 . 1 1 1 A 76 76 GLY HA2 H 76 4.228 4.362 -0.134 1
1 833 . 1 1 1 A 76 76 GLY HA3 H 76 4.070 4.416 -0.346 1
1 834 . 1 1 1 A 76 76 GLY CA C 76 46.761 46.349 0.412 1
1 835 . 1 1 1 A 76 76 GLY N N 76 108.739 111.525 -2.786 1
1 836 . 1 1 1 A 77 77 THR H H 77 8.607 9.045 -0.438 1
1 837 . 1 1 1 A 77 77 THR HA H 77 4.966 5.085 -0.119 1
1 842 . 1 1 1 A 77 77 THR CA C 77 61.891 61.446 0.445 1
1 843 . 1 1 1 A 77 77 THR CB C 77 70.413 71.200 -0.787 1
1 845 . 1 1 1 A 77 77 THR N N 77 116.423 116.198 0.225 1
1 846 . 1 1 1 A 78 78 ILE H H 78 8.815 8.688 0.127 1
1 847 . 1 1 1 A 78 78 ILE HA H 78 4.656 4.921 -0.265 1
1 857 . 1 1 1 A 78 78 ILE CA C 78 60.214 59.638 0.576 1
1 858 . 1 1 1 A 78 78 ILE CB C 78 43.110 42.096 1.014 1
1 862 . 1 1 1 A 78 78 ILE N N 78 129.313 122.601 6.712 1
1 863 . 1 1 1 A 79 79 GLY H H 79 8.052 8.920 -0.868 1
1 864 . 1 1 1 A 79 79 GLY HA2 H 79 4.394 4.170 0.224 1
1 865 . 1 1 1 A 79 79 GLY HA3 H 79 3.765 4.174 -0.409 1
1 866 . 1 1 1 A 79 79 GLY CA C 79 44.297 44.273 0.024 1
1 867 . 1 1 1 A 79 79 GLY N N 79 114.522 116.302 -1.780 1
1 868 . 1 1 1 A 80 80 ASP H H 80 7.792 8.633 -0.841 1
1 869 . 1 1 1 A 80 80 ASP HA H 80 4.706 4.582 0.124 1
1 872 . 1 1 1 A 80 80 ASP CA C 80 53.784 54.636 -0.852 1
1 873 . 1 1 1 A 80 80 ASP CB C 80 42.062 40.907 1.155 1
1 874 . 1 1 1 A 80 80 ASP N N 80 113.706 118.775 -5.069 1
1 875 . 1 1 1 A 81 81 ALA H H 81 8.552 8.783 -0.231 1
1 876 . 1 1 1 A 81 81 ALA HA H 81 4.567 4.680 -0.113 1
1 880 . 1 1 1 A 81 81 ALA CA C 81 53.345 53.067 0.278 1
1 881 . 1 1 1 A 81 81 ALA CB C 81 20.325 19.348 0.977 1
1 882 . 1 1 1 A 81 81 ALA N N 81 124.168 126.501 -2.333 1
1 883 . 1 1 1 A 82 82 LEU H H 82 8.734 9.576 -0.842 1
1 884 . 1 1 1 A 82 82 LEU HA H 82 4.338 4.642 -0.304 1
1 893 . 1 1 1 A 82 82 LEU CA C 82 55.320 54.955 0.365 1
1 894 . 1 1 1 A 82 82 LEU CB C 82 41.616 42.693 -1.077 1
1 897 . 1 1 1 A 82 82 LEU N N 82 121.830 124.080 -2.250 1
1 898 . 1 1 1 A 83 83 VAL H H 83 7.136 7.640 -0.504 1
1 899 . 1 1 1 A 83 83 VAL HA H 83 4.489 4.972 -0.483 1
1 907 . 1 1 1 A 83 83 VAL CA C 83 58.552 58.600 -0.048 1
1 908 . 1 1 1 A 83 83 VAL CB C 83 35.418 36.056 -0.638 1
1 911 . 1 1 1 A 83 83 VAL N N 83 108.193 112.817 -4.624 1
1 912 . 1 1 1 A 84 84 ASN H H 84 9.073 9.011 0.062 1
1 913 . 1 1 1 A 84 84 ASN HA H 84 4.872 5.294 -0.422 1
1 918 . 1 1 1 A 84 84 ASN CA C 84 51.417 51.406 0.011 1
1 919 . 1 1 1 A 84 84 ASN CB C 84 42.127 42.897 -0.770 1
1 920 . 1 1 1 A 84 84 ASN N N 84 119.533 119.472 0.061 1
1 922 . 1 1 1 A 85 85 ILE H H 85 8.390 8.523 -0.133 1
1 923 . 1 1 1 A 85 85 ILE HA H 85 3.384 3.738 -0.354 1
1 933 . 1 1 1 A 85 85 ILE CA C 85 63.985 63.936 0.049 1
1 934 . 1 1 1 A 85 85 ILE CB C 85 37.368 37.234 0.134 1
1 938 . 1 1 1 A 85 85 ILE N N 85 119.414 122.149 -2.735 1
1 939 . 1 1 1 A 86 86 GLY H H 86 9.229 8.542 0.687 1
1 940 . 1 1 1 A 86 86 GLY HA2 H 86 4.392 4.060 0.332 1
1 941 . 1 1 1 A 86 86 GLY HA3 H 86 3.412 4.065 -0.653 1
1 942 . 1 1 1 A 86 86 GLY CA C 86 44.946 44.952 -0.006 1
1 943 . 1 1 1 A 86 86 GLY N N 86 117.337 115.550 1.787 1
1 944 . 1 1 1 A 87 87 ASP H H 87 7.956 8.398 -0.442 1
1 945 . 1 1 1 A 87 87 ASP HA H 87 4.599 4.685 -0.086 1
1 948 . 1 1 1 A 87 87 ASP CA C 87 55.055 54.914 0.141 1
1 949 . 1 1 1 A 87 87 ASP CB C 87 40.978 41.385 -0.407 1
1 950 . 1 1 1 A 87 87 ASP N N 87 121.511 121.991 -0.480 1
1 951 . 1 1 1 A 88 88 TYR H H 88 8.545 8.851 -0.306 1
1 952 . 1 1 1 A 88 88 TYR HA H 88 4.718 4.727 -0.009 1
1 959 . 1 1 1 A 88 88 TYR CA C 88 57.954 57.348 0.606 1
1 960 . 1 1 1 A 88 88 TYR CB C 88 39.411 38.476 0.935 1
1 961 . 1 1 1 A 88 88 TYR N N 88 122.327 125.794 -3.467 1
1 962 . 1 1 1 A 89 89 VAL H H 89 8.937 8.362 0.575 1
1 963 . 1 1 1 A 89 89 VAL HA H 89 4.565 5.077 -0.512 1
1 971 . 1 1 1 A 89 89 VAL CA C 89 58.580 59.564 -0.984 1
1 972 . 1 1 1 A 89 89 VAL CB C 89 34.504 33.941 0.563 1
1 975 . 1 1 1 A 89 89 VAL N N 89 121.838 123.092 -1.254 1
1 976 . 1 1 1 A 90 90 SER H H 90 8.761 8.509 0.252 1
1 977 . 1 1 1 A 90 90 SER HA H 90 4.562 5.123 -0.561 1
1 980 . 1 1 1 A 90 90 SER CA C 90 56.974 56.120 0.854 1
1 981 . 1 1 1 A 90 90 SER CB C 90 65.027 65.648 -0.621 1
1 982 . 1 1 1 A 90 90 SER N N 90 114.806 117.028 -2.222 1
1 983 . 1 1 1 A 91 91 ALA H H 91 8.692 8.950 -0.258 1
1 984 . 1 1 1 A 91 91 ALA HA H 91 3.505 4.110 -0.605 1
1 988 . 1 1 1 A 91 91 ALA CA C 91 53.471 54.822 -1.351 1
1 989 . 1 1 1 A 91 91 ALA CB C 91 18.719 18.428 0.291 1
1 990 . 1 1 1 A 91 91 ALA N N 91 129.873 129.148 0.725 1
1 991 . 1 1 1 A 92 92 SER H H 92 9.156 7.916 1.240 1
1 992 . 1 1 1 A 92 92 SER HA H 92 3.804 4.652 -0.848 1
1 995 . 1 1 1 A 92 92 SER CA C 92 60.827 57.118 3.709 1
1 996 . 1 1 1 A 92 92 SER CB C 92 62.630 64.621 -1.991 1
1 997 . 1 1 1 A 92 92 SER N N 92 113.297 108.307 4.990 1
1 998 . 1 1 1 A 93 93 THR H H 93 7.806 7.532 0.274 1
1 999 . 1 1 1 A 93 93 THR HA H 93 4.387 4.402 -0.015 1
1 1004 . 1 1 1 A 93 93 THR CA C 93 64.607 63.273 1.334 1
1 1005 . 1 1 1 A 93 93 THR CB C 93 71.127 69.942 1.185 1
1 1007 . 1 1 1 A 93 93 THR N N 93 113.896 114.945 -1.049 1
1 1008 . 1 1 1 A 94 94 THR H H 94 7.691 7.637 0.054 1
1 1009 . 1 1 1 A 94 94 THR HA H 94 3.899 4.495 -0.596 1
1 1014 . 1 1 1 A 94 94 THR CA C 94 65.258 62.395 2.863 1
1 1015 . 1 1 1 A 94 94 THR CB C 94 70.283 71.401 -1.118 1
1 1017 . 1 1 1 A 94 94 THR N N 94 119.603 111.155 8.448 1
1 1018 . 1 1 1 A 95 95 GLU H H 95 8.389 7.987 0.402 1
1 1019 . 1 1 1 A 95 95 GLU HA H 95 3.793 4.165 -0.372 1
1 1024 . 1 1 1 A 95 95 GLU CA C 95 56.783 57.470 -0.687 1
1 1025 . 1 1 1 A 95 95 GLU CB C 95 29.777 28.454 1.323 1
1 1027 . 1 1 1 A 95 95 GLU N N 95 124.816 117.936 6.880 1
1 1028 . 1 1 1 A 96 96 LEU H H 96 8.735 8.135 0.600 1
1 1029 . 1 1 1 A 96 96 LEU HA H 96 4.249 4.232 0.017 1
1 1039 . 1 1 1 A 96 96 LEU CA C 96 57.071 55.914 1.157 1
1 1040 . 1 1 1 A 96 96 LEU CB C 96 43.517 42.259 1.258 1
1 1044 . 1 1 1 A 96 96 LEU N N 96 120.104 125.726 -5.622 1
1 1045 . 1 1 1 A 97 97 VAL H H 97 7.049 7.294 -0.245 1
1 1046 . 1 1 1 A 97 97 VAL HA H 97 4.334 4.360 -0.026 1
1 1054 . 1 1 1 A 97 97 VAL CA C 97 61.411 60.885 0.526 1
1 1055 . 1 1 1 A 97 97 VAL CB C 97 31.724 34.261 -2.537 1
1 1058 . 1 1 1 A 97 97 VAL N N 97 112.399 114.353 -1.954 1
1 1059 . 1 1 1 A 98 98 ARG H H 98 8.968 8.578 0.390 1
1 1060 . 1 1 1 A 98 98 ARG HA H 98 5.255 5.275 -0.020 1
1 1067 . 1 1 1 A 98 98 ARG CA C 98 55.391 54.669 0.722 1
1 1068 . 1 1 1 A 98 98 ARG CB C 98 32.925 33.077 -0.152 1
1 1071 . 1 1 1 A 98 98 ARG N N 98 127.489 122.179 5.310 1
1 1072 . 1 1 1 A 99 99 VAL H H 99 8.884 8.754 0.130 1
1 1073 . 1 1 1 A 99 99 VAL HA H 99 4.554 4.869 -0.315 1
1 1078 . 1 1 1 A 99 99 VAL CA C 99 60.996 61.121 -0.125 1
1 1079 . 1 1 1 A 99 99 VAL CB C 99 34.358 33.986 0.372 1
1 1081 . 1 1 1 A 99 99 VAL N N 99 122.863 123.279 -0.416 1
1 1082 . 1 1 1 A 100 100 THR H H 100 8.823 9.243 -0.420 1
1 1083 . 1 1 1 A 100 100 THR HA H 100 4.552 5.003 -0.451 1
1 1088 . 1 1 1 A 100 100 THR CA C 100 61.105 61.005 0.100 1
1 1089 . 1 1 1 A 100 100 THR CB C 100 70.859 71.229 -0.370 1
1 1091 . 1 1 1 A 100 100 THR N N 100 121.813 122.184 -0.371 1
1 1092 . 1 1 1 A 101 101 ASN H H 101 8.146 8.765 -0.619 1
1 1093 . 1 1 1 A 101 101 ASN HA H 101 4.505 4.812 -0.307 1
1 1098 . 1 1 1 A 101 101 ASN CA C 101 54.283 53.688 0.595 1
1 1099 . 1 1 1 A 101 101 ASN CB C 101 38.631 40.045 -1.414 1
1 1100 . 1 1 1 A 101 101 ASN N N 101 122.582 127.965 -5.383 1
1 1102 . 1 1 1 A 102 102 LEU H H 102 8.154 8.801 -0.647 1
1 1103 . 1 1 1 A 102 102 LEU HA H 102 4.236 4.161 0.075 1
1 1113 . 1 1 1 A 102 102 LEU CA C 102 55.618 57.555 -1.937 1
1 1114 . 1 1 1 A 102 102 LEU CB C 102 42.842 42.514 0.328 1
1 1118 . 1 1 1 A 102 102 LEU N N 102 122.572 127.007 -4.435 1
1 1119 . 1 1 1 A 103 103 ASN H H 103 8.393 7.833 0.560 1
1 1120 . 1 1 1 A 103 103 ASN HA H 103 4.862 5.057 -0.195 1
1 1125 . 1 1 1 A 103 103 ASN CA C 103 51.431 49.646 1.785 1
1 1126 . 1 1 1 A 103 103 ASN CB C 103 39.172 40.363 -1.191 1
1 1127 . 1 1 1 A 103 103 ASN N N 103 120.155 115.060 5.095 1
1 1129 . 1 1 1 A 104 104 PRO HA H 104 4.224 4.283 -0.059 1
1 1136 . 1 1 1 A 104 104 PRO CA C 104 63.636 63.732 -0.096 1
1 1137 . 1 1 1 A 104 104 PRO CB C 104 32.301 31.951 0.350 1
1 1140 . 1 1 1 A 105 105 ILE H H 105 7.870 7.830 0.040 1
1 1141 . 1 1 1 A 105 105 ILE HA H 105 3.934 3.648 0.286 1
1 1151 . 1 1 1 A 105 105 ILE CA C 105 61.566 62.970 -1.404 1
1 1152 . 1 1 1 A 105 105 ILE CB C 105 38.723 36.880 1.843 1
1 1156 . 1 1 1 A 105 105 ILE N N 105 119.425 117.085 2.340 1
1 1157 . 1 1 1 A 106 106 TYR H H 106 7.945 6.841 1.104 1
1 1158 . 1 1 1 A 106 106 TYR HA H 106 4.529 4.415 0.114 1
1 1165 . 1 1 1 A 106 106 TYR CA C 106 57.548 59.329 -1.781 1
1 1166 . 1 1 1 A 106 106 TYR CB C 106 39.048 37.667 1.381 1
1 1167 . 1 1 1 A 106 106 TYR N N 106 123.138 120.963 2.175 1
1 1168 . 1 1 1 A 107 107 ALA H H 107 8.113 7.470 0.643 1
1 1169 . 1 1 1 A 107 107 ALA HA H 107 4.213 4.325 -0.112 1
1 1173 . 1 1 1 A 107 107 ALA CA C 107 52.847 52.398 0.449 1
1 1174 . 1 1 1 A 107 107 ALA CB C 107 19.450 21.522 -2.072 1
1 1175 . 1 1 1 A 107 107 ALA N N 107 125.476 121.441 4.035 1
1 1176 . 1 1 1 A 108 108 ASP H H 108 8.140 7.357 0.783 1
1 1177 . 1 1 1 A 108 108 ASP HA H 108 4.502 4.679 -0.177 1
1 1180 . 1 1 1 A 108 108 ASP CA C 108 54.515 53.044 1.471 1
1 1181 . 1 1 1 A 108 108 ASP CB C 108 41.436 41.930 -0.494 1
1 1182 . 1 1 1 A 108 108 ASP N N 108 119.275 117.850 1.425 1
1 1183 . 1 1 1 A 109 109 GLY H H 109 8.304 7.561 0.743 1
1 1184 . 1 1 1 A 109 109 GLY HA2 H 109 3.930 3.593 0.337 1
1 1185 . 1 1 1 A 109 109 GLY HA3 H 109 3.844 3.713 0.131 1
1 1186 . 1 1 1 A 109 109 GLY CA C 109 45.809 47.260 -1.451 1
1 1187 . 1 1 1 A 109 109 GLY N N 109 109.463 110.151 -0.688 1
1 1188 . 1 1 1 A 110 110 SER H H 110 8.169 8.161 0.008 1
1 1189 . 1 1 1 A 110 110 SER HA H 110 4.263 4.683 -0.420 1
1 1190 . 1 1 1 A 110 110 SER CA C 110 59.017 58.160 0.857 1
1 1191 . 1 1 1 A 110 110 SER N N 110 115.630 109.021 6.609 1
1 1192 . 1 1 1 A 111 111 HIS HA H 111 4.522 4.889 -0.367 1
1 1195 . 1 1 1 A 111 111 HIS CA C 111 56.269 55.312 0.957 1
1 1196 . 1 1 1 A 111 111 HIS CB C 111 30.558 31.287 -0.729 1
1 1197 . 1 1 1 A 112 112 HIS HA H 112 4.341 4.498 -0.157 1
1 1200 . 1 1 1 A 112 112 HIS CA C 112 57.660 57.976 -0.316 1
1 2 . 2 1 1 A 2 2 VAL H H 2 8.608 8.873 -0.265 1
1 3 . 2 1 1 A 2 2 VAL HA H 2 4.472 4.840 -0.368 1
1 11 . 2 1 1 A 2 2 VAL CA C 2 61.161 60.434 0.727 1
1 12 . 2 1 1 A 2 2 VAL CB C 2 35.825 35.963 -0.138 1
1 15 . 2 1 1 A 2 2 VAL N N 2 117.995 125.714 -7.719 1
1 16 . 2 1 1 A 3 3 ILE H H 3 8.424 8.812 -0.388 1
1 17 . 2 1 1 A 3 3 ILE HA H 3 4.489 4.654 -0.165 1
1 27 . 2 1 1 A 3 3 ILE CA C 3 60.273 60.430 -0.157 1
1 28 . 2 1 1 A 3 3 ILE CB C 3 38.595 38.061 0.534 1
1 32 . 2 1 1 A 3 3 ILE N N 3 125.647 127.202 -1.555 1
1 33 . 2 1 1 A 4 4 ILE H H 4 8.531 8.839 -0.308 1
1 34 . 2 1 1 A 4 4 ILE HA H 4 3.990 4.122 -0.132 1
1 44 . 2 1 1 A 4 4 ILE CA C 4 61.656 61.916 -0.260 1
1 45 . 2 1 1 A 4 4 ILE CB C 4 38.183 38.647 -0.464 1
1 49 . 2 1 1 A 4 4 ILE N N 4 127.472 130.282 -2.810 1
1 50 . 2 1 1 A 5 5 LYS H H 5 8.277 8.793 -0.516 1
1 51 . 2 1 1 A 5 5 LYS HA H 5 5.164 4.714 0.450 1
1 60 . 2 1 1 A 5 5 LYS CA C 5 53.440 52.910 0.530 1
1 61 . 2 1 1 A 5 5 LYS CB C 5 33.808 35.349 -1.541 1
1 65 . 2 1 1 A 5 5 LYS N N 5 126.697 126.403 0.294 1
1 66 . 2 1 1 A 6 6 PRO HA H 6 4.370 4.683 -0.313 1
1 73 . 2 1 1 A 6 6 PRO CA C 6 62.493 62.151 0.342 1
1 74 . 2 1 1 A 6 6 PRO CB C 6 32.091 32.657 -0.566 1
1 77 . 2 1 1 A 7 7 GLN H H 7 9.334 8.371 0.963 1
1 78 . 2 1 1 A 7 7 GLN HA H 7 4.348 4.097 0.251 1
1 85 . 2 1 1 A 7 7 GLN CA C 7 56.384 56.844 -0.460 1
1 86 . 2 1 1 A 7 7 GLN CB C 7 28.934 28.304 0.630 1
1 88 . 2 1 1 A 7 7 GLN N N 7 119.944 119.015 0.929 1
1 90 . 2 1 1 A 8 8 VAL H H 8 7.021 7.313 -0.292 1
1 91 . 2 1 1 A 8 8 VAL HA H 8 4.476 4.840 -0.364 1
1 99 . 2 1 1 A 8 8 VAL CA C 8 58.999 58.858 0.141 1
1 100 . 2 1 1 A 8 8 VAL CB C 8 35.347 35.691 -0.344 1
1 103 . 2 1 1 A 8 8 VAL N N 8 111.118 115.017 -3.899 1
1 104 . 2 1 1 A 9 9 SER H H 9 8.155 8.690 -0.535 1
1 105 . 2 1 1 A 9 9 SER HA H 9 4.945 4.662 0.283 1
1 108 . 2 1 1 A 9 9 SER CA C 9 56.704 58.005 -1.301 1
1 109 . 2 1 1 A 9 9 SER CB C 9 64.645 64.792 -0.147 1
1 110 . 2 1 1 A 9 9 SER N N 9 114.983 117.655 -2.672 1
1 111 . 2 1 1 A 10 10 GLY H H 10 7.981 8.226 -0.245 1
1 112 . 2 1 1 A 10 10 GLY HA2 H 10 4.416 4.242 0.174 1
1 113 . 2 1 1 A 10 10 GLY HA3 H 10 3.643 4.331 -0.688 1
1 114 . 2 1 1 A 10 10 GLY CA C 10 45.433 45.288 0.145 1
1 115 . 2 1 1 A 10 10 GLY N N 10 108.602 107.315 1.287 1
1 116 . 2 1 1 A 11 11 VAL H H 11 8.018 8.768 -0.750 1
1 117 . 2 1 1 A 11 11 VAL HA H 11 4.740 5.241 -0.501 1
1 125 . 2 1 1 A 11 11 VAL CA C 11 60.580 59.047 1.533 1
1 126 . 2 1 1 A 11 11 VAL CB C 11 35.124 35.668 -0.544 1
1 129 . 2 1 1 A 11 11 VAL N N 11 118.346 117.550 0.796 1
1 130 . 2 1 1 A 12 12 ILE H H 12 8.452 8.911 -0.459 1
1 131 . 2 1 1 A 12 12 ILE HA H 12 4.042 4.283 -0.241 1
1 141 . 2 1 1 A 12 12 ILE CA C 12 60.400 62.373 -1.973 1
1 142 . 2 1 1 A 12 12 ILE CB C 12 35.725 38.103 -2.378 1
1 146 . 2 1 1 A 12 12 ILE N N 12 125.267 125.118 0.149 1
1 147 . 2 1 1 A 13 13 VAL H H 13 8.900 9.362 -0.462 1
1 148 . 2 1 1 A 13 13 VAL HA H 13 4.492 4.310 0.182 1
1 156 . 2 1 1 A 13 13 VAL CA C 13 62.168 63.321 -1.153 1
1 157 . 2 1 1 A 13 13 VAL CB C 13 33.406 33.725 -0.319 1
1 160 . 2 1 1 A 13 13 VAL N N 13 124.539 125.902 -1.363 1
1 161 . 2 1 1 A 14 14 ASN H H 14 7.649 7.417 0.232 1
1 162 . 2 1 1 A 14 14 ASN HA H 14 4.805 5.211 -0.406 1
1 167 . 2 1 1 A 14 14 ASN CA C 14 52.950 52.277 0.673 1
1 168 . 2 1 1 A 14 14 ASN CB C 14 42.149 42.080 0.069 1
1 169 . 2 1 1 A 14 14 ASN N N 14 115.008 116.770 -1.762 1
1 171 . 2 1 1 A 15 15 LYS H H 15 8.393 8.583 -0.190 1
1 172 . 2 1 1 A 15 15 LYS HA H 15 4.640 4.686 -0.046 1
1 179 . 2 1 1 A 15 15 LYS CA C 15 55.987 54.857 1.130 1
1 180 . 2 1 1 A 15 15 LYS CB C 15 35.412 33.316 2.096 1
1 183 . 2 1 1 A 15 15 LYS N N 15 123.820 122.194 1.626 1
1 184 . 2 1 1 A 16 16 LEU H H 16 8.015 8.322 -0.307 1
1 185 . 2 1 1 A 16 16 LEU HA H 16 4.983 3.922 1.061 1
1 195 . 2 1 1 A 16 16 LEU CA C 16 55.202 57.736 -2.534 1
1 196 . 2 1 1 A 16 16 LEU CB C 16 41.471 41.874 -0.403 1
1 200 . 2 1 1 A 16 16 LEU N N 16 126.200 126.549 -0.349 1
1 201 . 2 1 1 A 17 17 PHE H H 17 6.522 7.251 -0.729 1
1 202 . 2 1 1 A 17 17 PHE HA H 17 4.858 4.473 0.385 1
1 210 . 2 1 1 A 17 17 PHE CA C 17 55.675 56.642 -0.967 1
1 211 . 2 1 1 A 17 17 PHE CB C 17 41.329 40.345 0.984 1
1 212 . 2 1 1 A 17 17 PHE N N 17 113.650 116.501 -2.851 1
1 213 . 2 1 1 A 18 18 LYS H H 18 8.648 8.919 -0.271 1
1 214 . 2 1 1 A 18 18 LYS HA H 18 4.325 4.443 -0.118 1
1 223 . 2 1 1 A 18 18 LYS CA C 18 54.442 53.996 0.446 1
1 224 . 2 1 1 A 18 18 LYS CB C 18 35.233 35.753 -0.520 1
1 228 . 2 1 1 A 18 18 LYS N N 18 120.586 118.184 2.402 1
1 229 . 2 1 1 A 19 19 ALA H H 19 8.396 8.355 0.041 1
1 230 . 2 1 1 A 19 19 ALA HA H 19 3.956 4.239 -0.283 1
1 234 . 2 1 1 A 19 19 ALA CA C 19 54.151 53.679 0.472 1
1 235 . 2 1 1 A 19 19 ALA CB C 19 18.681 18.278 0.403 1
1 236 . 2 1 1 A 19 19 ALA N N 19 123.901 127.113 -3.212 1
1 237 . 2 1 1 A 20 20 GLY H H 20 8.806 8.614 0.192 1
1 238 . 2 1 1 A 20 20 GLY HA2 H 20 4.299 4.053 0.246 1
1 239 . 2 1 1 A 20 20 GLY HA3 H 20 3.523 4.073 -0.550 1
1 240 . 2 1 1 A 20 20 GLY CA C 20 45.190 45.142 0.048 1
1 241 . 2 1 1 A 20 20 GLY N N 20 112.460 111.776 0.684 1
1 242 . 2 1 1 A 21 21 ASP H H 21 7.923 7.859 0.064 1
1 243 . 2 1 1 A 21 21 ASP HA H 21 4.489 4.804 -0.315 1
1 246 . 2 1 1 A 21 21 ASP CA C 21 55.477 52.959 2.518 1
1 247 . 2 1 1 A 21 21 ASP CB C 21 41.593 42.602 -1.009 1
1 248 . 2 1 1 A 21 21 ASP N N 21 121.531 121.716 -0.185 1
1 249 . 2 1 1 A 22 22 LYS H H 22 8.292 8.538 -0.246 1
1 250 . 2 1 1 A 22 22 LYS HA H 22 4.861 4.896 -0.035 1
1 259 . 2 1 1 A 22 22 LYS CA C 22 55.789 55.500 0.289 1
1 260 . 2 1 1 A 22 22 LYS CB C 22 31.948 34.575 -2.627 1
1 264 . 2 1 1 A 22 22 LYS N N 22 120.223 120.730 -0.507 1
1 265 . 2 1 1 A 23 23 VAL H H 23 8.929 8.973 -0.044 1
1 266 . 2 1 1 A 23 23 VAL HA H 23 4.828 5.094 -0.266 1
1 274 . 2 1 1 A 23 23 VAL CA C 23 58.619 59.320 -0.701 1
1 275 . 2 1 1 A 23 23 VAL CB C 23 34.776 35.361 -0.585 1
1 278 . 2 1 1 A 23 23 VAL N N 23 117.770 118.740 -0.970 1
1 279 . 2 1 1 A 24 24 LYS H H 24 7.952 8.411 -0.459 1
1 280 . 2 1 1 A 24 24 LYS HA H 24 4.828 4.531 0.297 1
1 289 . 2 1 1 A 24 24 LYS CA C 24 53.316 55.790 -2.474 1
1 290 . 2 1 1 A 24 24 LYS CB C 24 35.370 33.585 1.785 1
1 294 . 2 1 1 A 24 24 LYS N N 24 121.890 125.334 -3.444 1
1 295 . 2 1 1 A 25 25 LYS H H 25 8.903 8.599 0.304 1
1 296 . 2 1 1 A 25 25 LYS HA H 25 3.152 4.423 -1.271 1
1 304 . 2 1 1 A 25 25 LYS CA C 25 58.780 56.142 2.638 1
1 305 . 2 1 1 A 25 25 LYS CB C 25 32.788 31.392 1.396 1
1 309 . 2 1 1 A 25 25 LYS N N 25 121.717 123.195 -1.478 1
1 310 . 2 1 1 A 26 26 GLY H H 26 8.887 8.357 0.530 1
1 311 . 2 1 1 A 26 26 GLY HA2 H 26 4.277 4.011 0.266 1
1 312 . 2 1 1 A 26 26 GLY HA3 H 26 3.462 4.046 -0.584 1
1 313 . 2 1 1 A 26 26 GLY CA C 26 45.387 44.917 0.470 1
1 314 . 2 1 1 A 26 26 GLY N N 26 115.271 106.293 8.978 1
1 315 . 2 1 1 A 27 27 GLN H H 27 8.423 7.787 0.636 1
1 316 . 2 1 1 A 27 27 GLN HA H 27 4.134 4.343 -0.209 1
1 323 . 2 1 1 A 27 27 GLN CA C 27 56.461 56.132 0.329 1
1 324 . 2 1 1 A 27 27 GLN CB C 27 30.655 29.050 1.605 1
1 326 . 2 1 1 A 27 27 GLN N N 27 123.160 120.035 3.125 1
1 328 . 2 1 1 A 28 28 THR H H 28 9.094 8.811 0.283 1
1 329 . 2 1 1 A 28 28 THR HA H 28 3.884 4.185 -0.301 1
1 334 . 2 1 1 A 28 28 THR CA C 28 66.017 64.141 1.876 1
1 335 . 2 1 1 A 28 28 THR CB C 28 68.577 69.152 -0.575 1
1 337 . 2 1 1 A 28 28 THR N N 28 124.723 117.895 6.828 1
1 338 . 2 1 1 A 29 29 LEU H H 29 9.499 9.334 0.165 1
1 339 . 2 1 1 A 29 29 LEU HA H 29 4.373 4.406 -0.033 1
1 349 . 2 1 1 A 29 29 LEU CA C 29 55.960 55.704 0.256 1
1 350 . 2 1 1 A 29 29 LEU CB C 29 44.601 43.246 1.355 1
1 354 . 2 1 1 A 29 29 LEU N N 29 125.894 127.109 -1.215 1
1 355 . 2 1 1 A 30 30 PHE H H 30 7.572 7.614 -0.042 1
1 356 . 2 1 1 A 30 30 PHE HA H 30 5.360 5.422 -0.062 1
1 364 . 2 1 1 A 30 30 PHE CA C 30 55.655 56.067 -0.412 1
1 365 . 2 1 1 A 30 30 PHE CB C 30 45.053 43.233 1.820 1
1 366 . 2 1 1 A 30 30 PHE N N 30 111.166 114.623 -3.457 1
1 367 . 2 1 1 A 31 31 ILE H H 31 7.850 8.368 -0.518 1
1 368 . 2 1 1 A 31 31 ILE HA H 31 4.808 4.891 -0.083 1
1 378 . 2 1 1 A 31 31 ILE CA C 31 60.159 59.230 0.929 1
1 379 . 2 1 1 A 31 31 ILE CB C 31 39.584 41.716 -2.132 1
1 383 . 2 1 1 A 31 31 ILE N N 31 119.419 119.951 -0.532 1
1 384 . 2 1 1 A 32 32 ILE H H 32 9.095 9.034 0.061 1
1 385 . 2 1 1 A 32 32 ILE HA H 32 4.830 5.415 -0.585 1
1 395 . 2 1 1 A 32 32 ILE CA C 32 59.205 59.720 -0.515 1
1 396 . 2 1 1 A 32 32 ILE CB C 32 42.206 41.549 0.657 1
1 400 . 2 1 1 A 32 32 ILE N N 32 127.930 126.323 1.607 1
1 401 . 2 1 1 A 33 33 GLU H H 33 9.089 9.255 -0.166 1
1 402 . 2 1 1 A 33 33 GLU HA H 33 4.674 5.030 -0.356 1
1 407 . 2 1 1 A 33 33 GLU CA C 33 55.047 54.804 0.243 1
1 408 . 2 1 1 A 33 33 GLU CB C 33 31.851 31.813 0.038 1
1 410 . 2 1 1 A 33 33 GLU N N 33 128.159 125.516 2.643 1
1 411 . 2 1 1 A 34 34 GLN H H 34 8.705 9.118 -0.413 1
1 412 . 2 1 1 A 34 34 GLN HA H 34 4.362 4.179 0.183 1
1 419 . 2 1 1 A 34 34 GLN CA C 34 56.933 56.029 0.904 1
1 420 . 2 1 1 A 34 34 GLN CB C 34 30.273 28.832 1.441 1
1 422 . 2 1 1 A 34 34 GLN N N 34 128.144 126.045 2.099 1
1 424 . 2 1 1 A 35 35 ASP H H 35 8.488 8.231 0.257 1
1 425 . 2 1 1 A 35 35 ASP HA H 35 4.608 4.337 0.271 1
1 428 . 2 1 1 A 35 35 ASP CA C 35 54.124 55.133 -1.009 1
1 429 . 2 1 1 A 35 35 ASP CB C 35 41.702 39.700 2.002 1
1 430 . 2 1 1 A 35 35 ASP N N 35 122.441 118.604 3.837 1
1 431 . 2 1 1 A 36 36 GLN H H 36 8.604 7.995 0.609 1
1 432 . 2 1 1 A 36 36 GLN HA H 36 4.021 4.699 -0.678 1
1 439 . 2 1 1 A 36 36 GLN CA C 36 57.273 54.961 2.312 1
1 440 . 2 1 1 A 36 36 GLN CB C 36 29.266 29.214 0.052 1
1 442 . 2 1 1 A 36 36 GLN N N 36 123.042 117.649 5.393 1
1 444 . 2 1 1 A 37 37 ALA H H 37 8.313 7.919 0.394 1
1 445 . 2 1 1 A 37 37 ALA HA H 37 4.212 4.005 0.207 1
1 449 . 2 1 1 A 37 37 ALA CA C 37 53.708 55.267 -1.559 1
1 450 . 2 1 1 A 37 37 ALA CB C 37 18.949 18.488 0.461 1
1 451 . 2 1 1 A 37 37 ALA N N 37 122.748 125.032 -2.284 1
1 452 . 2 1 1 A 38 38 SER H H 38 7.949 8.129 -0.180 1
1 453 . 2 1 1 A 38 38 SER HA H 38 4.285 4.254 0.031 1
1 456 . 2 1 1 A 38 38 SER CA C 38 59.468 61.532 -2.064 1
1 457 . 2 1 1 A 38 38 SER CB C 38 63.874 62.951 0.923 1
1 458 . 2 1 1 A 38 38 SER N N 38 113.828 114.614 -0.786 1
1 459 . 2 1 1 A 39 39 LYS H H 39 8.107 8.185 -0.078 1
1 460 . 2 1 1 A 39 39 LYS HA H 39 4.124 3.975 0.149 1
1 469 . 2 1 1 A 39 39 LYS CA C 39 57.821 59.479 -1.658 1
1 470 . 2 1 1 A 39 39 LYS CB C 39 32.978 32.218 0.760 1
1 474 . 2 1 1 A 39 39 LYS N N 39 122.900 122.315 0.585 1
1 475 . 2 1 1 A 40 40 ASP H H 40 8.173 7.554 0.619 1
1 476 . 2 1 1 A 40 40 ASP HA H 40 4.477 4.555 -0.078 1
1 479 . 2 1 1 A 40 40 ASP CA C 40 55.164 56.895 -1.731 1
1 480 . 2 1 1 A 40 40 ASP CB C 40 41.359 41.381 -0.022 1
1 481 . 2 1 1 A 40 40 ASP N N 40 119.696 118.853 0.843 1
1 482 . 2 1 1 A 41 41 PHE H H 41 8.022 8.381 -0.359 1
1 483 . 2 1 1 A 41 41 PHE HA H 41 4.376 4.150 0.226 1
1 488 . 2 1 1 A 41 41 PHE CA C 41 59.354 61.183 -1.829 1
1 489 . 2 1 1 A 41 41 PHE CB C 41 39.414 39.118 0.296 1
1 490 . 2 1 1 A 41 41 PHE N N 41 121.310 120.238 1.072 1
1 491 . 2 1 1 A 42 42 ASN H H 42 8.247 8.759 -0.512 1
1 492 . 2 1 1 A 42 42 ASN HA H 42 4.483 4.336 0.147 1
1 497 . 2 1 1 A 42 42 ASN CA C 42 54.383 56.586 -2.203 1
1 498 . 2 1 1 A 42 42 ASN CB C 42 38.853 38.753 0.100 1
1 499 . 2 1 1 A 42 42 ASN N N 42 119.282 117.310 1.972 1
1 501 . 2 1 1 A 43 43 ARG H H 43 8.048 8.096 -0.048 1
1 502 . 2 1 1 A 43 43 ARG HA H 43 4.130 4.095 0.035 1
1 509 . 2 1 1 A 43 43 ARG CA C 43 57.429 59.199 -1.770 1
1 510 . 2 1 1 A 43 43 ARG CB C 43 30.503 30.047 0.456 1
1 513 . 2 1 1 A 43 43 ARG N N 43 121.050 120.615 0.435 1
1 514 . 2 1 1 A 44 44 SER H H 44 8.111 8.408 -0.297 1
1 515 . 2 1 1 A 44 44 SER HA H 44 4.262 4.252 0.010 1
1 518 . 2 1 1 A 44 44 SER CA C 44 59.660 60.930 -1.270 1
1 519 . 2 1 1 A 44 44 SER CB C 44 63.810 62.966 0.844 1
1 520 . 2 1 1 A 44 44 SER N N 44 115.587 115.494 0.093 1
1 521 . 2 1 1 A 45 45 LYS H H 45 7.968 7.735 0.233 1
1 522 . 2 1 1 A 45 45 LYS HA H 45 4.132 4.040 0.092 1
1 526 . 2 1 1 A 45 45 LYS CA C 45 57.193 58.204 -1.011 1
1 527 . 2 1 1 A 45 45 LYS CB C 45 32.534 32.363 0.171 1
1 529 . 2 1 1 A 45 45 LYS N N 45 122.205 120.301 1.904 1
1 530 . 2 1 1 A 46 46 ALA H H 46 7.936 7.478 0.458 1
1 531 . 2 1 1 A 46 46 ALA HA H 46 4.179 4.506 -0.327 1
1 535 . 2 1 1 A 46 46 ALA CA C 46 53.196 51.544 1.652 1
1 536 . 2 1 1 A 46 46 ALA CB C 46 19.279 20.706 -1.427 1
1 537 . 2 1 1 A 46 46 ALA N N 46 123.430 120.545 2.885 1
1 538 . 2 1 1 A 47 47 LEU H H 47 7.873 7.114 0.759 1
1 539 . 2 1 1 A 47 47 LEU HA H 47 4.147 4.810 -0.663 1
1 549 . 2 1 1 A 47 47 LEU CA C 47 55.854 53.278 2.576 1
1 550 . 2 1 1 A 47 47 LEU CB C 47 42.536 46.044 -3.508 1
1 554 . 2 1 1 A 47 47 LEU N N 47 119.760 119.406 0.354 1
1 555 . 2 1 1 A 48 48 PHE H H 48 7.960 8.780 -0.820 1
1 556 . 2 1 1 A 48 48 PHE HA H 48 4.540 4.701 -0.161 1
1 561 . 2 1 1 A 48 48 PHE CA C 48 58.150 58.799 -0.649 1
1 562 . 2 1 1 A 48 48 PHE CB C 48 39.499 39.703 -0.204 1
1 563 . 2 1 1 A 48 48 PHE N N 48 119.481 119.063 0.418 1
1 564 . 2 1 1 A 49 49 SER H H 49 8.011 9.051 -1.040 1
1 565 . 2 1 1 A 49 49 SER HA H 49 4.333 4.881 -0.548 1
1 566 . 2 1 1 A 49 49 SER CA C 49 58.675 56.892 1.783 1
1 567 . 2 1 1 A 49 49 SER N N 49 116.263 114.367 1.896 1
1 568 . 2 1 1 A 50 50 GLN H H 50 8.252 9.288 -1.036 1
1 569 . 2 1 1 A 50 50 GLN HA H 50 4.250 4.191 0.059 1
1 576 . 2 1 1 A 50 50 GLN CA C 50 56.570 58.642 -2.072 1
1 577 . 2 1 1 A 50 50 GLN CB C 50 29.372 28.237 1.135 1
1 579 . 2 1 1 A 50 50 GLN N N 50 121.890 120.369 1.521 1
1 581 . 2 1 1 A 51 51 SER H H 51 8.143 8.148 -0.005 1
1 582 . 2 1 1 A 51 51 SER HA H 51 4.332 4.566 -0.234 1
1 583 . 2 1 1 A 51 51 SER CA C 51 58.848 60.513 -1.665 1
1 584 . 2 1 1 A 51 51 SER N N 51 115.677 116.503 -0.826 1
1 585 . 2 1 1 A 52 52 ALA H H 52 8.168 7.557 0.611 1
1 586 . 2 1 1 A 52 52 ALA HA H 52 4.261 4.281 -0.020 1
1 590 . 2 1 1 A 52 52 ALA CA C 52 53.119 53.721 -0.602 1
1 591 . 2 1 1 A 52 52 ALA CB C 52 19.175 19.482 -0.307 1
1 592 . 2 1 1 A 52 52 ALA N N 52 125.354 121.914 3.440 1
1 593 . 2 1 1 A 53 53 ILE H H 53 7.858 7.528 0.330 1
1 594 . 2 1 1 A 53 53 ILE HA H 53 4.094 4.127 -0.033 1
1 604 . 2 1 1 A 53 53 ILE CA C 53 61.666 61.486 0.180 1
1 605 . 2 1 1 A 53 53 ILE CB C 53 39.015 38.425 0.590 1
1 609 . 2 1 1 A 53 53 ILE N N 53 118.218 122.009 -3.791 1
1 610 . 2 1 1 A 54 54 SER H H 54 8.152 8.569 -0.417 1
1 611 . 2 1 1 A 54 54 SER HA H 54 4.348 4.286 0.062 1
1 614 . 2 1 1 A 54 54 SER CA C 54 58.678 60.186 -1.508 1
1 615 . 2 1 1 A 54 54 SER CB C 54 64.002 63.956 0.046 1
1 616 . 2 1 1 A 54 54 SER N N 54 118.590 119.111 -0.521 1
1 617 . 2 1 1 A 55 55 GLN H H 55 8.298 8.577 -0.279 1
1 618 . 2 1 1 A 55 55 GLN HA H 55 4.198 2.747 1.451 1
1 625 . 2 1 1 A 55 55 GLN CA C 55 56.690 57.457 -0.767 1
1 626 . 2 1 1 A 55 55 GLN CB C 55 29.393 28.320 1.073 1
1 628 . 2 1 1 A 55 55 GLN N N 55 122.154 123.033 -0.879 1
1 630 . 2 1 1 A 56 56 LYS H H 56 8.153 7.795 0.358 1
1 631 . 2 1 1 A 56 56 LYS HA H 56 4.161 4.495 -0.334 1
1 636 . 2 1 1 A 56 56 LYS CA C 56 57.174 56.528 0.646 1
1 637 . 2 1 1 A 56 56 LYS CB C 56 32.991 33.568 -0.577 1
1 639 . 2 1 1 A 56 56 LYS N N 56 121.127 117.783 3.344 1
1 640 . 2 1 1 A 57 57 GLU H H 57 8.201 8.251 -0.050 1
1 641 . 2 1 1 A 57 57 GLU HA H 57 4.151 4.453 -0.302 1
1 646 . 2 1 1 A 57 57 GLU CA C 57 57.273 57.687 -0.414 1
1 647 . 2 1 1 A 57 57 GLU CB C 57 30.262 30.515 -0.253 1
1 649 . 2 1 1 A 57 57 GLU N N 57 120.626 117.845 2.781 1
1 650 . 2 1 1 A 58 58 TYR H H 58 8.057 8.412 -0.355 1
1 651 . 2 1 1 A 58 58 TYR HA H 58 4.375 4.468 -0.093 1
1 658 . 2 1 1 A 58 58 TYR CA C 58 58.721 59.543 -0.822 1
1 659 . 2 1 1 A 58 58 TYR CB C 58 39.096 37.021 2.075 1
1 660 . 2 1 1 A 58 58 TYR N N 58 120.841 118.523 2.318 1
1 661 . 2 1 1 A 59 59 ASP H H 59 8.144 8.408 -0.264 1
1 662 . 2 1 1 A 59 59 ASP HA H 59 4.493 4.102 0.391 1
1 665 . 2 1 1 A 59 59 ASP CA C 59 54.505 56.753 -2.248 1
1 666 . 2 1 1 A 59 59 ASP CB C 59 41.233 41.423 -0.190 1
1 667 . 2 1 1 A 59 59 ASP N N 59 122.549 122.823 -0.274 1
1 668 . 2 1 1 A 60 60 SER H H 60 8.245 8.203 0.042 1
1 669 . 2 1 1 A 60 60 SER HA H 60 4.255 4.308 -0.053 1
1 670 . 2 1 1 A 60 60 SER CA C 60 59.650 61.495 -1.845 1
1 671 . 2 1 1 A 60 60 SER N N 60 117.646 114.607 3.039 1
1 672 . 2 1 1 A 61 61 SER H H 61 8.329 8.089 0.240 1
1 673 . 2 1 1 A 61 61 SER HA H 61 4.307 4.402 -0.095 1
1 676 . 2 1 1 A 61 61 SER CA C 61 59.882 60.440 -0.558 1
1 677 . 2 1 1 A 61 61 SER CB C 61 63.888 63.556 0.332 1
1 678 . 2 1 1 A 61 61 SER N N 61 118.138 117.257 0.881 1
1 679 . 2 1 1 A 62 62 LEU H H 62 7.753 7.191 0.562 1
1 680 . 2 1 1 A 62 62 LEU HA H 62 4.227 4.238 -0.011 1
1 690 . 2 1 1 A 62 62 LEU CA C 62 55.640 55.639 0.001 1
1 691 . 2 1 1 A 62 62 LEU CB C 62 42.389 43.211 -0.822 1
1 695 . 2 1 1 A 62 62 LEU N N 62 122.616 118.295 4.321 1
1 696 . 2 1 1 A 63 63 ALA H H 63 7.908 7.918 -0.010 1
1 697 . 2 1 1 A 63 63 ALA HA H 63 4.266 4.492 -0.226 1
1 701 . 2 1 1 A 63 63 ALA CA C 63 53.071 51.481 1.590 1
1 702 . 2 1 1 A 63 63 ALA CB C 63 19.373 20.325 -0.952 1
1 703 . 2 1 1 A 63 63 ALA N N 63 123.326 118.183 5.143 1
1 704 . 2 1 1 A 64 64 THR H H 64 7.855 7.672 0.183 1
1 705 . 2 1 1 A 64 64 THR HA H 64 4.212 4.816 -0.604 1
1 710 . 2 1 1 A 64 64 THR CA C 64 61.955 60.739 1.216 1
1 711 . 2 1 1 A 64 64 THR CB C 64 69.997 72.932 -2.935 1
1 713 . 2 1 1 A 64 64 THR N N 64 112.019 114.415 -2.396 1
1 714 . 2 1 1 A 65 65 LEU H H 65 7.970 8.459 -0.489 1
1 715 . 2 1 1 A 65 65 LEU HA H 65 4.290 4.564 -0.274 1
1 725 . 2 1 1 A 65 65 LEU CA C 65 55.509 53.931 1.578 1
1 726 . 2 1 1 A 65 65 LEU CB C 65 42.619 41.460 1.159 1
1 730 . 2 1 1 A 65 65 LEU N N 65 123.564 122.478 1.086 1
1 731 . 2 1 1 A 66 66 ASP H H 66 8.271 8.064 0.207 1
1 732 . 2 1 1 A 66 66 ASP HA H 66 4.538 4.266 0.272 1
1 735 . 2 1 1 A 66 66 ASP CA C 66 54.906 54.878 0.028 1
1 736 . 2 1 1 A 66 66 ASP CB C 66 41.384 38.464 2.920 1
1 737 . 2 1 1 A 66 66 ASP N N 66 120.385 117.766 2.619 1
1 738 . 2 1 1 A 67 67 HIS H H 67 8.020 7.798 0.222 1
1 739 . 2 1 1 A 67 67 HIS HA H 67 5.236 5.110 0.126 1
1 744 . 2 1 1 A 67 67 HIS CA C 67 55.411 56.779 -1.368 1
1 745 . 2 1 1 A 67 67 HIS CB C 67 32.135 31.030 1.105 1
1 746 . 2 1 1 A 67 67 HIS N N 67 119.214 118.061 1.153 1
1 747 . 2 1 1 A 68 68 THR H H 68 8.903 8.630 0.273 1
1 748 . 2 1 1 A 68 68 THR HA H 68 4.474 4.773 -0.299 1
1 753 . 2 1 1 A 68 68 THR CA C 68 62.536 61.089 1.447 1
1 754 . 2 1 1 A 68 68 THR CB C 68 71.267 72.335 -1.068 1
1 756 . 2 1 1 A 68 68 THR N N 68 117.138 115.042 2.096 1
1 757 . 2 1 1 A 69 69 GLU H H 69 8.630 8.760 -0.130 1
1 758 . 2 1 1 A 69 69 GLU HA H 69 4.480 5.103 -0.623 1
1 763 . 2 1 1 A 69 69 GLU CA C 69 56.016 55.694 0.322 1
1 764 . 2 1 1 A 69 69 GLU CB C 69 31.824 32.004 -0.180 1
1 766 . 2 1 1 A 69 69 GLU N N 69 124.226 123.739 0.487 1
1 767 . 2 1 1 A 70 70 ILE H H 70 8.589 8.744 -0.155 1
1 768 . 2 1 1 A 70 70 ILE HA H 70 4.405 4.969 -0.564 1
1 778 . 2 1 1 A 70 70 ILE CA C 70 59.367 59.949 -0.582 1
1 779 . 2 1 1 A 70 70 ILE CB C 70 37.492 41.099 -3.607 1
1 783 . 2 1 1 A 70 70 ILE N N 70 123.526 121.258 2.268 1
1 784 . 2 1 1 A 71 71 LYS H H 71 8.910 8.572 0.338 1
1 785 . 2 1 1 A 71 71 LYS HA H 71 5.070 4.855 0.215 1
1 790 . 2 1 1 A 71 71 LYS CA C 71 54.732 54.247 0.485 1
1 791 . 2 1 1 A 71 71 LYS CB C 71 36.388 36.197 0.191 1
1 793 . 2 1 1 A 71 71 LYS N N 71 128.313 125.329 2.984 1
1 794 . 2 1 1 A 72 72 ALA H H 72 8.623 8.939 -0.316 1
1 795 . 2 1 1 A 72 72 ALA HA H 72 4.060 4.315 -0.255 1
1 799 . 2 1 1 A 72 72 ALA CA C 72 50.119 50.867 -0.748 1
1 800 . 2 1 1 A 72 72 ALA CB C 72 17.261 18.188 -0.927 1
1 801 . 2 1 1 A 72 72 ALA N N 72 123.091 125.192 -2.101 1
1 802 . 2 1 1 A 73 73 PRO HA H 73 4.328 4.410 -0.082 1
1 809 . 2 1 1 A 73 73 PRO CA C 73 63.731 64.418 -0.687 1
1 810 . 2 1 1 A 73 73 PRO CB C 73 32.196 32.054 0.142 1
1 813 . 2 1 1 A 74 74 PHE H H 74 6.758 6.867 -0.109 1
1 814 . 2 1 1 A 74 74 PHE HA H 74 4.414 4.948 -0.534 1
1 821 . 2 1 1 A 74 74 PHE CA C 74 54.539 56.064 -1.525 1
1 822 . 2 1 1 A 74 74 PHE CB C 74 40.862 40.671 0.191 1
1 823 . 2 1 1 A 74 74 PHE N N 74 112.045 112.321 -0.276 1
1 824 . 2 1 1 A 75 75 ASP H H 75 8.563 8.960 -0.397 1
1 825 . 2 1 1 A 75 75 ASP HA H 75 4.915 5.378 -0.463 1
1 828 . 2 1 1 A 75 75 ASP CA C 75 54.108 54.244 -0.136 1
1 829 . 2 1 1 A 75 75 ASP CB C 75 41.011 42.054 -1.043 1
1 830 . 2 1 1 A 75 75 ASP N N 75 118.284 120.451 -2.167 1
1 831 . 2 1 1 A 76 76 GLY H H 76 8.340 8.230 0.110 1
1 832 . 2 1 1 A 76 76 GLY HA2 H 76 4.228 4.340 -0.112 1
1 833 . 2 1 1 A 76 76 GLY HA3 H 76 4.070 4.417 -0.347 1
1 834 . 2 1 1 A 76 76 GLY CA C 76 46.761 46.395 0.366 1
1 835 . 2 1 1 A 76 76 GLY N N 76 108.739 111.803 -3.064 1
1 836 . 2 1 1 A 77 77 THR H H 77 8.607 9.136 -0.529 1
1 837 . 2 1 1 A 77 77 THR HA H 77 4.966 5.170 -0.204 1
1 842 . 2 1 1 A 77 77 THR CA C 77 61.891 61.556 0.335 1
1 843 . 2 1 1 A 77 77 THR CB C 77 70.413 71.170 -0.757 1
1 845 . 2 1 1 A 77 77 THR N N 77 116.423 116.055 0.368 1
1 846 . 2 1 1 A 78 78 ILE H H 78 8.815 8.699 0.116 1
1 847 . 2 1 1 A 78 78 ILE HA H 78 4.656 5.012 -0.356 1
1 857 . 2 1 1 A 78 78 ILE CA C 78 60.214 59.568 0.646 1
1 858 . 2 1 1 A 78 78 ILE CB C 78 43.110 42.030 1.080 1
1 862 . 2 1 1 A 78 78 ILE N N 78 129.313 123.293 6.020 1
1 863 . 2 1 1 A 79 79 GLY H H 79 8.052 8.939 -0.887 1
1 864 . 2 1 1 A 79 79 GLY HA2 H 79 4.394 4.143 0.251 1
1 865 . 2 1 1 A 79 79 GLY HA3 H 79 3.765 4.145 -0.380 1
1 866 . 2 1 1 A 79 79 GLY CA C 79 44.297 44.288 0.009 1
1 867 . 2 1 1 A 79 79 GLY N N 79 114.522 116.439 -1.917 1
1 868 . 2 1 1 A 80 80 ASP H H 80 7.792 8.519 -0.727 1
1 869 . 2 1 1 A 80 80 ASP HA H 80 4.706 4.587 0.119 1
1 872 . 2 1 1 A 80 80 ASP CA C 80 53.784 54.644 -0.860 1
1 873 . 2 1 1 A 80 80 ASP CB C 80 42.062 41.039 1.023 1
1 874 . 2 1 1 A 80 80 ASP N N 80 113.706 118.118 -4.412 1
1 875 . 2 1 1 A 81 81 ALA H H 81 8.552 8.825 -0.273 1
1 876 . 2 1 1 A 81 81 ALA HA H 81 4.567 4.745 -0.178 1
1 880 . 2 1 1 A 81 81 ALA CA C 81 53.345 52.998 0.347 1
1 881 . 2 1 1 A 81 81 ALA CB C 81 20.325 19.363 0.962 1
1 882 . 2 1 1 A 81 81 ALA N N 81 124.168 125.862 -1.694 1
1 883 . 2 1 1 A 82 82 LEU H H 82 8.734 9.585 -0.851 1
1 884 . 2 1 1 A 82 82 LEU HA H 82 4.338 4.623 -0.285 1
1 893 . 2 1 1 A 82 82 LEU CA C 82 55.320 54.762 0.558 1
1 894 . 2 1 1 A 82 82 LEU CB C 82 41.616 42.595 -0.979 1
1 897 . 2 1 1 A 82 82 LEU N N 82 121.830 123.983 -2.153 1
1 898 . 2 1 1 A 83 83 VAL H H 83 7.136 7.601 -0.465 1
1 899 . 2 1 1 A 83 83 VAL HA H 83 4.489 4.938 -0.449 1
1 907 . 2 1 1 A 83 83 VAL CA C 83 58.552 58.609 -0.057 1
1 908 . 2 1 1 A 83 83 VAL CB C 83 35.418 36.054 -0.636 1
1 911 . 2 1 1 A 83 83 VAL N N 83 108.193 113.054 -4.861 1
1 912 . 2 1 1 A 84 84 ASN H H 84 9.073 9.088 -0.015 1
1 913 . 2 1 1 A 84 84 ASN HA H 84 4.872 5.300 -0.428 1
1 918 . 2 1 1 A 84 84 ASN CA C 84 51.417 51.517 -0.100 1
1 919 . 2 1 1 A 84 84 ASN CB C 84 42.127 43.021 -0.894 1
1 920 . 2 1 1 A 84 84 ASN N N 84 119.533 119.687 -0.154 1
1 922 . 2 1 1 A 85 85 ILE H H 85 8.390 8.522 -0.132 1
1 923 . 2 1 1 A 85 85 ILE HA H 85 3.384 3.698 -0.314 1
1 933 . 2 1 1 A 85 85 ILE CA C 85 63.985 64.091 -0.106 1
1 934 . 2 1 1 A 85 85 ILE CB C 85 37.368 37.462 -0.094 1
1 938 . 2 1 1 A 85 85 ILE N N 85 119.414 122.644 -3.230 1
1 939 . 2 1 1 A 86 86 GLY H H 86 9.229 8.817 0.412 1
1 940 . 2 1 1 A 86 86 GLY HA2 H 86 4.392 4.076 0.316 1
1 941 . 2 1 1 A 86 86 GLY HA3 H 86 3.412 4.082 -0.670 1
1 942 . 2 1 1 A 86 86 GLY CA C 86 44.946 44.978 -0.032 1
1 943 . 2 1 1 A 86 86 GLY N N 86 117.337 115.527 1.810 1
1 944 . 2 1 1 A 87 87 ASP H H 87 7.956 8.292 -0.336 1
1 945 . 2 1 1 A 87 87 ASP HA H 87 4.599 4.707 -0.108 1
1 948 . 2 1 1 A 87 87 ASP CA C 87 55.055 54.924 0.131 1
1 949 . 2 1 1 A 87 87 ASP CB C 87 40.978 41.180 -0.202 1
1 950 . 2 1 1 A 87 87 ASP N N 87 121.511 122.004 -0.493 1
1 951 . 2 1 1 A 88 88 TYR H H 88 8.545 8.932 -0.387 1
1 952 . 2 1 1 A 88 88 TYR HA H 88 4.718 4.812 -0.094 1
1 959 . 2 1 1 A 88 88 TYR CA C 88 57.954 59.721 -1.767 1
1 960 . 2 1 1 A 88 88 TYR CB C 88 39.411 39.328 0.083 1
1 961 . 2 1 1 A 88 88 TYR N N 88 122.327 126.160 -3.833 1
1 962 . 2 1 1 A 89 89 VAL H H 89 8.937 8.520 0.417 1
1 963 . 2 1 1 A 89 89 VAL HA H 89 4.565 4.614 -0.049 1
1 971 . 2 1 1 A 89 89 VAL CA C 89 58.580 59.081 -0.501 1
1 972 . 2 1 1 A 89 89 VAL CB C 89 34.504 36.071 -1.567 1
1 975 . 2 1 1 A 89 89 VAL N N 89 121.838 121.302 0.536 1
1 976 . 2 1 1 A 90 90 SER H H 90 8.761 8.408 0.353 1
1 977 . 2 1 1 A 90 90 SER HA H 90 4.562 5.018 -0.456 1
1 980 . 2 1 1 A 90 90 SER CA C 90 56.974 56.078 0.896 1
1 981 . 2 1 1 A 90 90 SER CB C 90 65.027 65.416 -0.389 1
1 982 . 2 1 1 A 90 90 SER N N 90 114.806 116.271 -1.465 1
1 983 . 2 1 1 A 91 91 ALA H H 91 8.692 8.905 -0.213 1
1 984 . 2 1 1 A 91 91 ALA HA H 91 3.505 4.080 -0.575 1
1 988 . 2 1 1 A 91 91 ALA CA C 91 53.471 54.670 -1.199 1
1 989 . 2 1 1 A 91 91 ALA CB C 91 18.719 18.445 0.274 1
1 990 . 2 1 1 A 91 91 ALA N N 91 129.873 128.658 1.215 1
1 991 . 2 1 1 A 92 92 SER H H 92 9.156 7.908 1.248 1
1 992 . 2 1 1 A 92 92 SER HA H 92 3.804 4.647 -0.843 1
1 995 . 2 1 1 A 92 92 SER CA C 92 60.827 57.450 3.377 1
1 996 . 2 1 1 A 92 92 SER CB C 92 62.630 64.816 -2.186 1
1 997 . 2 1 1 A 92 92 SER N N 92 113.297 108.693 4.604 1
1 998 . 2 1 1 A 93 93 THR H H 93 7.806 7.599 0.207 1
1 999 . 2 1 1 A 93 93 THR HA H 93 4.387 4.333 0.054 1
1 1004 . 2 1 1 A 93 93 THR CA C 93 64.607 63.583 1.024 1
1 1005 . 2 1 1 A 93 93 THR CB C 93 71.127 70.129 0.998 1
1 1007 . 2 1 1 A 93 93 THR N N 93 113.896 114.914 -1.018 1
1 1008 . 2 1 1 A 94 94 THR H H 94 7.691 7.605 0.086 1
1 1009 . 2 1 1 A 94 94 THR HA H 94 3.899 4.462 -0.563 1
1 1014 . 2 1 1 A 94 94 THR CA C 94 65.258 62.448 2.810 1
1 1015 . 2 1 1 A 94 94 THR CB C 94 70.283 71.191 -0.908 1
1 1017 . 2 1 1 A 94 94 THR N N 94 119.603 110.900 8.703 1
1 1018 . 2 1 1 A 95 95 GLU H H 95 8.389 7.972 0.417 1
1 1019 . 2 1 1 A 95 95 GLU HA H 95 3.793 4.152 -0.359 1
1 1024 . 2 1 1 A 95 95 GLU CA C 95 56.783 57.615 -0.832 1
1 1025 . 2 1 1 A 95 95 GLU CB C 95 29.777 28.470 1.307 1
1 1027 . 2 1 1 A 95 95 GLU N N 95 124.816 117.698 7.118 1
1 1028 . 2 1 1 A 96 96 LEU H H 96 8.735 8.244 0.491 1
1 1029 . 2 1 1 A 96 96 LEU HA H 96 4.249 4.285 -0.036 1
1 1039 . 2 1 1 A 96 96 LEU CA C 96 57.071 55.657 1.414 1
1 1040 . 2 1 1 A 96 96 LEU CB C 96 43.517 42.346 1.171 1
1 1044 . 2 1 1 A 96 96 LEU N N 96 120.104 125.447 -5.343 1
1 1045 . 2 1 1 A 97 97 VAL H H 97 7.049 7.302 -0.253 1
1 1046 . 2 1 1 A 97 97 VAL HA H 97 4.334 4.341 -0.007 1
1 1054 . 2 1 1 A 97 97 VAL CA C 97 61.411 60.936 0.475 1
1 1055 . 2 1 1 A 97 97 VAL CB C 97 31.724 34.205 -2.481 1
1 1058 . 2 1 1 A 97 97 VAL N N 97 112.399 114.222 -1.823 1
1 1059 . 2 1 1 A 98 98 ARG H H 98 8.968 8.632 0.336 1
1 1060 . 2 1 1 A 98 98 ARG HA H 98 5.255 5.289 -0.034 1
1 1067 . 2 1 1 A 98 98 ARG CA C 98 55.391 54.871 0.520 1
1 1068 . 2 1 1 A 98 98 ARG CB C 98 32.925 32.596 0.329 1
1 1071 . 2 1 1 A 98 98 ARG N N 98 127.489 122.175 5.314 1
1 1072 . 2 1 1 A 99 99 VAL H H 99 8.884 8.919 -0.035 1
1 1073 . 2 1 1 A 99 99 VAL HA H 99 4.554 4.913 -0.359 1
1 1078 . 2 1 1 A 99 99 VAL CA C 99 60.996 61.110 -0.114 1
1 1079 . 2 1 1 A 99 99 VAL CB C 99 34.358 34.212 0.146 1
1 1081 . 2 1 1 A 99 99 VAL N N 99 122.863 122.452 0.411 1
1 1082 . 2 1 1 A 100 100 THR H H 100 8.823 9.142 -0.319 1
1 1083 . 2 1 1 A 100 100 THR HA H 100 4.552 5.138 -0.586 1
1 1088 . 2 1 1 A 100 100 THR CA C 100 61.105 60.638 0.467 1
1 1089 . 2 1 1 A 100 100 THR CB C 100 70.859 71.776 -0.917 1
1 1091 . 2 1 1 A 100 100 THR N N 100 121.813 120.065 1.748 1
1 1092 . 2 1 1 A 101 101 ASN H H 101 8.146 9.055 -0.909 1
1 1093 . 2 1 1 A 101 101 ASN HA H 101 4.505 4.512 -0.007 1
1 1098 . 2 1 1 A 101 101 ASN CA C 101 54.283 55.094 -0.811 1
1 1099 . 2 1 1 A 101 101 ASN CB C 101 38.631 39.406 -0.775 1
1 1100 . 2 1 1 A 101 101 ASN N N 101 122.582 126.783 -4.201 1
1 1102 . 2 1 1 A 102 102 LEU H H 102 8.154 7.935 0.219 1
1 1103 . 2 1 1 A 102 102 LEU HA H 102 4.236 4.237 -0.001 1
1 1113 . 2 1 1 A 102 102 LEU CA C 102 55.618 57.025 -1.407 1
1 1114 . 2 1 1 A 102 102 LEU CB C 102 42.842 40.789 2.053 1
1 1118 . 2 1 1 A 102 102 LEU N N 102 122.572 118.935 3.637 1
1 1119 . 2 1 1 A 103 103 ASN H H 103 8.393 8.935 -0.542 1
1 1120 . 2 1 1 A 103 103 ASN HA H 103 4.862 4.912 -0.050 1
1 1125 . 2 1 1 A 103 103 ASN CA C 103 51.431 51.861 -0.430 1
1 1126 . 2 1 1 A 103 103 ASN CB C 103 39.172 37.956 1.216 1
1 1127 . 2 1 1 A 103 103 ASN N N 103 120.155 120.733 -0.578 1
1 1129 . 2 1 1 A 104 104 PRO HA H 104 4.224 4.504 -0.280 1
1 1136 . 2 1 1 A 104 104 PRO CA C 104 63.636 64.243 -0.607 1
1 1137 . 2 1 1 A 104 104 PRO CB C 104 32.301 31.796 0.505 1
1 1140 . 2 1 1 A 105 105 ILE H H 105 7.870 8.120 -0.250 1
1 1141 . 2 1 1 A 105 105 ILE HA H 105 3.934 3.900 0.034 1
1 1151 . 2 1 1 A 105 105 ILE CA C 105 61.566 62.493 -0.927 1
1 1152 . 2 1 1 A 105 105 ILE CB C 105 38.723 37.099 1.624 1
1 1156 . 2 1 1 A 105 105 ILE N N 105 119.425 115.305 4.120 1
1 1157 . 2 1 1 A 106 106 TYR H H 106 7.945 7.571 0.374 1
1 1158 . 2 1 1 A 106 106 TYR HA H 106 4.529 4.806 -0.277 1
1 1165 . 2 1 1 A 106 106 TYR CA C 106 57.548 58.024 -0.476 1
1 1166 . 2 1 1 A 106 106 TYR CB C 106 39.048 39.467 -0.419 1
1 1167 . 2 1 1 A 106 106 TYR N N 106 123.138 121.010 2.128 1
1 1168 . 2 1 1 A 107 107 ALA H H 107 8.113 7.689 0.424 1
1 1169 . 2 1 1 A 107 107 ALA HA H 107 4.213 4.605 -0.392 1
1 1173 . 2 1 1 A 107 107 ALA CA C 107 52.847 52.037 0.810 1
1 1174 . 2 1 1 A 107 107 ALA CB C 107 19.450 21.433 -1.983 1
1 1175 . 2 1 1 A 107 107 ALA N N 107 125.476 120.357 5.119 1
1 1176 . 2 1 1 A 108 108 ASP H H 108 8.140 7.858 0.282 1
1 1177 . 2 1 1 A 108 108 ASP HA H 108 4.502 5.107 -0.605 1
1 1180 . 2 1 1 A 108 108 ASP CA C 108 54.515 53.141 1.374 1
1 1181 . 2 1 1 A 108 108 ASP CB C 108 41.436 44.447 -3.011 1
1 1182 . 2 1 1 A 108 108 ASP N N 108 119.275 115.829 3.446 1
1 1183 . 2 1 1 A 109 109 GLY H H 109 8.304 8.477 -0.173 1
1 1184 . 2 1 1 A 109 109 GLY HA2 H 109 3.930 4.320 -0.390 1
1 1185 . 2 1 1 A 109 109 GLY HA3 H 109 3.844 4.332 -0.488 1
1 1186 . 2 1 1 A 109 109 GLY CA C 109 45.809 45.852 -0.043 1
1 1187 . 2 1 1 A 109 109 GLY N N 109 109.463 108.419 1.044 1
1 1188 . 2 1 1 A 110 110 SER H H 110 8.169 8.524 -0.355 1
1 1189 . 2 1 1 A 110 110 SER HA H 110 4.263 5.489 -1.226 1
1 1190 . 2 1 1 A 110 110 SER CA C 110 59.017 57.168 1.849 1
1 1191 . 2 1 1 A 110 110 SER N N 110 115.630 114.191 1.439 1
1 1192 . 2 1 1 A 111 111 HIS HA H 111 4.522 5.140 -0.618 1
1 1195 . 2 1 1 A 111 111 HIS CA C 111 56.269 55.931 0.338 1
1 1196 . 2 1 1 A 111 111 HIS CB C 111 30.558 33.465 -2.907 1
1 1197 . 2 1 1 A 112 112 HIS HA H 112 4.341 5.001 -0.660 1
1 1200 . 2 1 1 A 112 112 HIS CA C 112 57.660 55.379 2.281 1
1 2 . 3 1 1 A 2 2 VAL H H 2 8.608 8.437 0.171 1
1 3 . 3 1 1 A 2 2 VAL HA H 2 4.472 4.789 -0.317 1
1 11 . 3 1 1 A 2 2 VAL CA C 2 61.161 60.404 0.757 1
1 12 . 3 1 1 A 2 2 VAL CB C 2 35.825 35.827 -0.002 1
1 15 . 3 1 1 A 2 2 VAL N N 2 117.995 119.238 -1.243 1
1 16 . 3 1 1 A 3 3 ILE H H 3 8.424 9.038 -0.614 1
1 17 . 3 1 1 A 3 3 ILE HA H 3 4.489 4.674 -0.185 1
1 27 . 3 1 1 A 3 3 ILE CA C 3 60.273 60.377 -0.104 1
1 28 . 3 1 1 A 3 3 ILE CB C 3 38.595 39.714 -1.119 1
1 32 . 3 1 1 A 3 3 ILE N N 3 125.647 125.686 -0.039 1
1 33 . 3 1 1 A 4 4 ILE H H 4 8.531 9.009 -0.478 1
1 34 . 3 1 1 A 4 4 ILE HA H 4 3.990 4.113 -0.123 1
1 44 . 3 1 1 A 4 4 ILE CA C 4 61.656 61.884 -0.228 1
1 45 . 3 1 1 A 4 4 ILE CB C 4 38.183 38.640 -0.457 1
1 49 . 3 1 1 A 4 4 ILE N N 4 127.472 130.231 -2.759 1
1 50 . 3 1 1 A 5 5 LYS H H 5 8.277 8.767 -0.490 1
1 51 . 3 1 1 A 5 5 LYS HA H 5 5.164 4.700 0.464 1
1 60 . 3 1 1 A 5 5 LYS CA C 5 53.440 52.900 0.540 1
1 61 . 3 1 1 A 5 5 LYS CB C 5 33.808 35.343 -1.535 1
1 65 . 3 1 1 A 5 5 LYS N N 5 126.697 126.418 0.279 1
1 66 . 3 1 1 A 6 6 PRO HA H 6 4.370 4.670 -0.300 1
1 73 . 3 1 1 A 6 6 PRO CA C 6 62.493 62.335 0.158 1
1 74 . 3 1 1 A 6 6 PRO CB C 6 32.091 32.500 -0.409 1
1 77 . 3 1 1 A 7 7 GLN H H 7 9.334 8.402 0.932 1
1 78 . 3 1 1 A 7 7 GLN HA H 7 4.348 4.078 0.270 1
1 85 . 3 1 1 A 7 7 GLN CA C 7 56.384 56.882 -0.498 1
1 86 . 3 1 1 A 7 7 GLN CB C 7 28.934 28.397 0.537 1
1 88 . 3 1 1 A 7 7 GLN N N 7 119.944 119.425 0.519 1
1 90 . 3 1 1 A 8 8 VAL H H 8 7.021 7.319 -0.298 1
1 91 . 3 1 1 A 8 8 VAL HA H 8 4.476 4.851 -0.375 1
1 99 . 3 1 1 A 8 8 VAL CA C 8 58.999 58.749 0.250 1
1 100 . 3 1 1 A 8 8 VAL CB C 8 35.347 35.681 -0.334 1
1 103 . 3 1 1 A 8 8 VAL N N 8 111.118 114.888 -3.770 1
1 104 . 3 1 1 A 9 9 SER H H 9 8.155 8.613 -0.458 1
1 105 . 3 1 1 A 9 9 SER HA H 9 4.945 4.674 0.271 1
1 108 . 3 1 1 A 9 9 SER CA C 9 56.704 57.757 -1.053 1
1 109 . 3 1 1 A 9 9 SER CB C 9 64.645 64.802 -0.157 1
1 110 . 3 1 1 A 9 9 SER N N 9 114.983 117.618 -2.635 1
1 111 . 3 1 1 A 10 10 GLY H H 10 7.981 8.177 -0.196 1
1 112 . 3 1 1 A 10 10 GLY HA2 H 10 4.416 4.250 0.166 1
1 113 . 3 1 1 A 10 10 GLY HA3 H 10 3.643 4.340 -0.697 1
1 114 . 3 1 1 A 10 10 GLY CA C 10 45.433 45.319 0.114 1
1 115 . 3 1 1 A 10 10 GLY N N 10 108.602 107.225 1.377 1
1 116 . 3 1 1 A 11 11 VAL H H 11 8.018 8.637 -0.619 1
1 117 . 3 1 1 A 11 11 VAL HA H 11 4.740 5.288 -0.548 1
1 125 . 3 1 1 A 11 11 VAL CA C 11 60.580 59.088 1.492 1
1 126 . 3 1 1 A 11 11 VAL CB C 11 35.124 35.748 -0.624 1
1 129 . 3 1 1 A 11 11 VAL N N 11 118.346 117.697 0.649 1
1 130 . 3 1 1 A 12 12 ILE H H 12 8.452 8.922 -0.470 1
1 131 . 3 1 1 A 12 12 ILE HA H 12 4.042 4.312 -0.270 1
1 141 . 3 1 1 A 12 12 ILE CA C 12 60.400 62.388 -1.988 1
1 142 . 3 1 1 A 12 12 ILE CB C 12 35.725 38.071 -2.346 1
1 146 . 3 1 1 A 12 12 ILE N N 12 125.267 125.268 -0.001 1
1 147 . 3 1 1 A 13 13 VAL H H 13 8.900 9.399 -0.499 1
1 148 . 3 1 1 A 13 13 VAL HA H 13 4.492 4.311 0.181 1
1 156 . 3 1 1 A 13 13 VAL CA C 13 62.168 63.325 -1.157 1
1 157 . 3 1 1 A 13 13 VAL CB C 13 33.406 33.709 -0.303 1
1 160 . 3 1 1 A 13 13 VAL N N 13 124.539 125.911 -1.372 1
1 161 . 3 1 1 A 14 14 ASN H H 14 7.649 7.439 0.210 1
1 162 . 3 1 1 A 14 14 ASN HA H 14 4.805 5.188 -0.383 1
1 167 . 3 1 1 A 14 14 ASN CA C 14 52.950 52.289 0.661 1
1 168 . 3 1 1 A 14 14 ASN CB C 14 42.149 42.084 0.065 1
1 169 . 3 1 1 A 14 14 ASN N N 14 115.008 116.775 -1.767 1
1 171 . 3 1 1 A 15 15 LYS H H 15 8.393 8.577 -0.184 1
1 172 . 3 1 1 A 15 15 LYS HA H 15 4.640 4.646 -0.006 1
1 179 . 3 1 1 A 15 15 LYS CA C 15 55.987 54.793 1.194 1
1 180 . 3 1 1 A 15 15 LYS CB C 15 35.412 33.334 2.078 1
1 183 . 3 1 1 A 15 15 LYS N N 15 123.820 122.295 1.525 1
1 184 . 3 1 1 A 16 16 LEU H H 16 8.015 8.427 -0.412 1
1 185 . 3 1 1 A 16 16 LEU HA H 16 4.983 3.865 1.118 1
1 195 . 3 1 1 A 16 16 LEU CA C 16 55.202 57.847 -2.645 1
1 196 . 3 1 1 A 16 16 LEU CB C 16 41.471 42.037 -0.566 1
1 200 . 3 1 1 A 16 16 LEU N N 16 126.200 126.411 -0.211 1
1 201 . 3 1 1 A 17 17 PHE H H 17 6.522 7.279 -0.757 1
1 202 . 3 1 1 A 17 17 PHE HA H 17 4.858 4.465 0.393 1
1 210 . 3 1 1 A 17 17 PHE CA C 17 55.675 56.370 -0.695 1
1 211 . 3 1 1 A 17 17 PHE CB C 17 41.329 40.412 0.917 1
1 212 . 3 1 1 A 17 17 PHE N N 17 113.650 116.563 -2.913 1
1 213 . 3 1 1 A 18 18 LYS H H 18 8.648 8.950 -0.302 1
1 214 . 3 1 1 A 18 18 LYS HA H 18 4.325 4.426 -0.101 1
1 223 . 3 1 1 A 18 18 LYS CA C 18 54.442 53.804 0.638 1
1 224 . 3 1 1 A 18 18 LYS CB C 18 35.233 35.963 -0.730 1
1 228 . 3 1 1 A 18 18 LYS N N 18 120.586 118.139 2.447 1
1 229 . 3 1 1 A 19 19 ALA H H 19 8.396 8.379 0.017 1
1 230 . 3 1 1 A 19 19 ALA HA H 19 3.956 4.282 -0.326 1
1 234 . 3 1 1 A 19 19 ALA CA C 19 54.151 53.969 0.182 1
1 235 . 3 1 1 A 19 19 ALA CB C 19 18.681 18.444 0.237 1
1 236 . 3 1 1 A 19 19 ALA N N 19 123.901 126.797 -2.896 1
1 237 . 3 1 1 A 20 20 GLY H H 20 8.806 8.832 -0.026 1
1 238 . 3 1 1 A 20 20 GLY HA2 H 20 4.299 4.011 0.288 1
1 239 . 3 1 1 A 20 20 GLY HA3 H 20 3.523 4.033 -0.510 1
1 240 . 3 1 1 A 20 20 GLY CA C 20 45.190 45.170 0.020 1
1 241 . 3 1 1 A 20 20 GLY N N 20 112.460 111.695 0.765 1
1 242 . 3 1 1 A 21 21 ASP H H 21 7.923 8.091 -0.168 1
1 243 . 3 1 1 A 21 21 ASP HA H 21 4.489 4.796 -0.307 1
1 246 . 3 1 1 A 21 21 ASP CA C 21 55.477 53.277 2.200 1
1 247 . 3 1 1 A 21 21 ASP CB C 21 41.593 42.272 -0.679 1
1 248 . 3 1 1 A 21 21 ASP N N 21 121.531 122.093 -0.562 1
1 249 . 3 1 1 A 22 22 LYS H H 22 8.292 8.579 -0.287 1
1 250 . 3 1 1 A 22 22 LYS HA H 22 4.861 4.747 0.114 1
1 259 . 3 1 1 A 22 22 LYS CA C 22 55.789 56.012 -0.223 1
1 260 . 3 1 1 A 22 22 LYS CB C 22 31.948 34.368 -2.420 1
1 264 . 3 1 1 A 22 22 LYS N N 22 120.223 121.676 -1.453 1
1 265 . 3 1 1 A 23 23 VAL H H 23 8.929 8.823 0.106 1
1 266 . 3 1 1 A 23 23 VAL HA H 23 4.828 4.775 0.053 1
1 274 . 3 1 1 A 23 23 VAL CA C 23 58.619 59.138 -0.519 1
1 275 . 3 1 1 A 23 23 VAL CB C 23 34.776 35.601 -0.825 1
1 278 . 3 1 1 A 23 23 VAL N N 23 117.770 118.580 -0.810 1
1 279 . 3 1 1 A 24 24 LYS H H 24 7.952 8.480 -0.528 1
1 280 . 3 1 1 A 24 24 LYS HA H 24 4.828 4.464 0.364 1
1 289 . 3 1 1 A 24 24 LYS CA C 24 53.316 55.413 -2.097 1
1 290 . 3 1 1 A 24 24 LYS CB C 24 35.370 33.701 1.669 1
1 294 . 3 1 1 A 24 24 LYS N N 24 121.890 125.422 -3.532 1
1 295 . 3 1 1 A 25 25 LYS H H 25 8.903 8.580 0.323 1
1 296 . 3 1 1 A 25 25 LYS HA H 25 3.152 4.330 -1.178 1
1 304 . 3 1 1 A 25 25 LYS CA C 25 58.780 55.962 2.818 1
1 305 . 3 1 1 A 25 25 LYS CB C 25 32.788 32.150 0.638 1
1 309 . 3 1 1 A 25 25 LYS N N 25 121.717 122.556 -0.839 1
1 310 . 3 1 1 A 26 26 GLY H H 26 8.887 8.261 0.626 1
1 311 . 3 1 1 A 26 26 GLY HA2 H 26 4.277 4.008 0.269 1
1 312 . 3 1 1 A 26 26 GLY HA3 H 26 3.462 4.040 -0.578 1
1 313 . 3 1 1 A 26 26 GLY CA C 26 45.387 44.997 0.390 1
1 314 . 3 1 1 A 26 26 GLY N N 26 115.271 106.796 8.475 1
1 315 . 3 1 1 A 27 27 GLN H H 27 8.423 7.988 0.435 1
1 316 . 3 1 1 A 27 27 GLN HA H 27 4.134 4.358 -0.224 1
1 323 . 3 1 1 A 27 27 GLN CA C 27 56.461 56.143 0.318 1
1 324 . 3 1 1 A 27 27 GLN CB C 27 30.655 29.023 1.632 1
1 326 . 3 1 1 A 27 27 GLN N N 27 123.160 119.840 3.320 1
1 328 . 3 1 1 A 28 28 THR H H 28 9.094 8.771 0.323 1
1 329 . 3 1 1 A 28 28 THR HA H 28 3.884 4.207 -0.323 1
1 334 . 3 1 1 A 28 28 THR CA C 28 66.017 64.149 1.868 1
1 335 . 3 1 1 A 28 28 THR CB C 28 68.577 69.049 -0.472 1
1 337 . 3 1 1 A 28 28 THR N N 28 124.723 117.720 7.003 1
1 338 . 3 1 1 A 29 29 LEU H H 29 9.499 9.390 0.109 1
1 339 . 3 1 1 A 29 29 LEU HA H 29 4.373 4.431 -0.058 1
1 349 . 3 1 1 A 29 29 LEU CA C 29 55.960 55.674 0.286 1
1 350 . 3 1 1 A 29 29 LEU CB C 29 44.601 43.392 1.209 1
1 354 . 3 1 1 A 29 29 LEU N N 29 125.894 127.137 -1.243 1
1 355 . 3 1 1 A 30 30 PHE H H 30 7.572 7.689 -0.117 1
1 356 . 3 1 1 A 30 30 PHE HA H 30 5.360 5.441 -0.081 1
1 364 . 3 1 1 A 30 30 PHE CA C 30 55.655 56.223 -0.568 1
1 365 . 3 1 1 A 30 30 PHE CB C 30 45.053 43.229 1.824 1
1 366 . 3 1 1 A 30 30 PHE N N 30 111.166 114.668 -3.502 1
1 367 . 3 1 1 A 31 31 ILE H H 31 7.850 8.440 -0.590 1
1 368 . 3 1 1 A 31 31 ILE HA H 31 4.808 4.853 -0.045 1
1 378 . 3 1 1 A 31 31 ILE CA C 31 60.159 59.357 0.802 1
1 379 . 3 1 1 A 31 31 ILE CB C 31 39.584 41.775 -2.191 1
1 383 . 3 1 1 A 31 31 ILE N N 31 119.419 119.924 -0.505 1
1 384 . 3 1 1 A 32 32 ILE H H 32 9.095 9.075 0.020 1
1 385 . 3 1 1 A 32 32 ILE HA H 32 4.830 5.351 -0.521 1
1 395 . 3 1 1 A 32 32 ILE CA C 32 59.205 59.723 -0.518 1
1 396 . 3 1 1 A 32 32 ILE CB C 32 42.206 41.391 0.815 1
1 400 . 3 1 1 A 32 32 ILE N N 32 127.930 126.379 1.551 1
1 401 . 3 1 1 A 33 33 GLU H H 33 9.089 9.159 -0.070 1
1 402 . 3 1 1 A 33 33 GLU HA H 33 4.674 4.989 -0.315 1
1 407 . 3 1 1 A 33 33 GLU CA C 33 55.047 54.824 0.223 1
1 408 . 3 1 1 A 33 33 GLU CB C 33 31.851 31.612 0.239 1
1 410 . 3 1 1 A 33 33 GLU N N 33 128.159 125.087 3.072 1
1 411 . 3 1 1 A 34 34 GLN H H 34 8.705 8.809 -0.104 1
1 412 . 3 1 1 A 34 34 GLN HA H 34 4.362 4.169 0.193 1
1 419 . 3 1 1 A 34 34 GLN CA C 34 56.933 58.619 -1.686 1
1 420 . 3 1 1 A 34 34 GLN CB C 34 30.273 29.406 0.867 1
1 422 . 3 1 1 A 34 34 GLN N N 34 128.144 126.092 2.052 1
1 424 . 3 1 1 A 35 35 ASP H H 35 8.488 7.690 0.798 1
1 425 . 3 1 1 A 35 35 ASP HA H 35 4.608 4.939 -0.331 1
1 428 . 3 1 1 A 35 35 ASP CA C 35 54.124 53.971 0.153 1
1 429 . 3 1 1 A 35 35 ASP CB C 35 41.702 44.004 -2.302 1
1 430 . 3 1 1 A 35 35 ASP N N 35 122.441 115.215 7.226 1
1 431 . 3 1 1 A 36 36 GLN H H 36 8.604 8.390 0.214 1
1 432 . 3 1 1 A 36 36 GLN HA H 36 4.021 4.745 -0.724 1
1 439 . 3 1 1 A 36 36 GLN CA C 36 57.273 54.907 2.366 1
1 440 . 3 1 1 A 36 36 GLN CB C 36 29.266 29.256 0.010 1
1 442 . 3 1 1 A 36 36 GLN N N 36 123.042 122.221 0.821 1
1 444 . 3 1 1 A 37 37 ALA H H 37 8.313 8.096 0.217 1
1 445 . 3 1 1 A 37 37 ALA HA H 37 4.212 4.040 0.172 1
1 449 . 3 1 1 A 37 37 ALA CA C 37 53.708 55.003 -1.295 1
1 450 . 3 1 1 A 37 37 ALA CB C 37 18.949 18.398 0.551 1
1 451 . 3 1 1 A 37 37 ALA N N 37 122.748 124.591 -1.843 1
1 452 . 3 1 1 A 38 38 SER H H 38 7.949 7.792 0.157 1
1 453 . 3 1 1 A 38 38 SER HA H 38 4.285 4.726 -0.441 1
1 456 . 3 1 1 A 38 38 SER CA C 38 59.468 58.807 0.661 1
1 457 . 3 1 1 A 38 38 SER CB C 38 63.874 64.038 -0.164 1
1 458 . 3 1 1 A 38 38 SER N N 38 113.828 112.781 1.047 1
1 459 . 3 1 1 A 39 39 LYS H H 39 8.107 7.983 0.124 1
1 460 . 3 1 1 A 39 39 LYS HA H 39 4.124 4.118 0.006 1
1 469 . 3 1 1 A 39 39 LYS CA C 39 57.821 58.961 -1.140 1
1 470 . 3 1 1 A 39 39 LYS CB C 39 32.978 32.072 0.906 1
1 474 . 3 1 1 A 39 39 LYS N N 39 122.900 122.682 0.218 1
1 475 . 3 1 1 A 40 40 ASP H H 40 8.173 8.134 0.039 1
1 476 . 3 1 1 A 40 40 ASP HA H 40 4.477 4.980 -0.503 1
1 479 . 3 1 1 A 40 40 ASP CA C 40 55.164 54.907 0.257 1
1 480 . 3 1 1 A 40 40 ASP CB C 40 41.359 43.064 -1.705 1
1 481 . 3 1 1 A 40 40 ASP N N 40 119.696 118.479 1.217 1
1 482 . 3 1 1 A 41 41 PHE H H 41 8.022 8.415 -0.393 1
1 483 . 3 1 1 A 41 41 PHE HA H 41 4.376 4.253 0.123 1
1 488 . 3 1 1 A 41 41 PHE CA C 41 59.354 60.789 -1.435 1
1 489 . 3 1 1 A 41 41 PHE CB C 41 39.414 38.947 0.467 1
1 490 . 3 1 1 A 41 41 PHE N N 41 121.310 120.038 1.272 1
1 491 . 3 1 1 A 42 42 ASN H H 42 8.247 8.509 -0.262 1
1 492 . 3 1 1 A 42 42 ASN HA H 42 4.483 4.432 0.051 1
1 497 . 3 1 1 A 42 42 ASN CA C 42 54.383 55.511 -1.128 1
1 498 . 3 1 1 A 42 42 ASN CB C 42 38.853 37.111 1.742 1
1 499 . 3 1 1 A 42 42 ASN N N 42 119.282 116.909 2.373 1
1 501 . 3 1 1 A 43 43 ARG H H 43 8.048 8.026 0.022 1
1 502 . 3 1 1 A 43 43 ARG HA H 43 4.130 4.007 0.123 1
1 509 . 3 1 1 A 43 43 ARG CA C 43 57.429 59.343 -1.914 1
1 510 . 3 1 1 A 43 43 ARG CB C 43 30.503 29.904 0.599 1
1 513 . 3 1 1 A 43 43 ARG N N 43 121.050 121.349 -0.299 1
1 514 . 3 1 1 A 44 44 SER H H 44 8.111 8.265 -0.154 1
1 515 . 3 1 1 A 44 44 SER HA H 44 4.262 4.152 0.110 1
1 518 . 3 1 1 A 44 44 SER CA C 44 59.660 61.215 -1.555 1
1 519 . 3 1 1 A 44 44 SER CB C 44 63.810 62.388 1.422 1
1 520 . 3 1 1 A 44 44 SER N N 44 115.587 115.386 0.201 1
1 521 . 3 1 1 A 45 45 LYS H H 45 7.968 7.904 0.064 1
1 522 . 3 1 1 A 45 45 LYS HA H 45 4.132 4.135 -0.003 1
1 526 . 3 1 1 A 45 45 LYS CA C 45 57.193 58.961 -1.768 1
1 527 . 3 1 1 A 45 45 LYS CB C 45 32.534 31.926 0.608 1
1 529 . 3 1 1 A 45 45 LYS N N 45 122.205 122.032 0.173 1
1 530 . 3 1 1 A 46 46 ALA H H 46 7.936 8.484 -0.548 1
1 531 . 3 1 1 A 46 46 ALA HA H 46 4.179 4.098 0.081 1
1 535 . 3 1 1 A 46 46 ALA CA C 46 53.196 54.396 -1.200 1
1 536 . 3 1 1 A 46 46 ALA CB C 46 19.279 18.462 0.817 1
1 537 . 3 1 1 A 46 46 ALA N N 46 123.430 121.384 2.046 1
1 538 . 3 1 1 A 47 47 LEU H H 47 7.873 7.758 0.115 1
1 539 . 3 1 1 A 47 47 LEU HA H 47 4.147 4.213 -0.066 1
1 549 . 3 1 1 A 47 47 LEU CA C 47 55.854 57.515 -1.661 1
1 550 . 3 1 1 A 47 47 LEU CB C 47 42.536 42.095 0.441 1
1 554 . 3 1 1 A 47 47 LEU N N 47 119.760 118.224 1.536 1
1 555 . 3 1 1 A 48 48 PHE H H 48 7.960 7.935 0.025 1
1 556 . 3 1 1 A 48 48 PHE HA H 48 4.540 4.717 -0.177 1
1 561 . 3 1 1 A 48 48 PHE CA C 48 58.150 57.925 0.225 1
1 562 . 3 1 1 A 48 48 PHE CB C 48 39.499 40.958 -1.459 1
1 563 . 3 1 1 A 48 48 PHE N N 48 119.481 116.634 2.847 1
1 564 . 3 1 1 A 49 49 SER H H 49 8.011 7.827 0.184 1
1 565 . 3 1 1 A 49 49 SER HA H 49 4.333 4.532 -0.199 1
1 566 . 3 1 1 A 49 49 SER CA C 49 58.675 59.991 -1.316 1
1 567 . 3 1 1 A 49 49 SER N N 49 116.263 115.332 0.931 1
1 568 . 3 1 1 A 50 50 GLN H H 50 8.252 7.880 0.372 1
1 569 . 3 1 1 A 50 50 GLN HA H 50 4.250 4.102 0.148 1
1 576 . 3 1 1 A 50 50 GLN CA C 50 56.570 58.142 -1.572 1
1 577 . 3 1 1 A 50 50 GLN CB C 50 29.372 28.320 1.052 1
1 579 . 3 1 1 A 50 50 GLN N N 50 121.890 120.929 0.961 1
1 581 . 3 1 1 A 51 51 SER H H 51 8.143 7.988 0.155 1
1 582 . 3 1 1 A 51 51 SER HA H 51 4.332 4.174 0.158 1
1 583 . 3 1 1 A 51 51 SER CA C 51 58.848 61.313 -2.465 1
1 584 . 3 1 1 A 51 51 SER N N 51 115.677 115.151 0.526 1
1 585 . 3 1 1 A 52 52 ALA H H 52 8.168 7.722 0.446 1
1 586 . 3 1 1 A 52 52 ALA HA H 52 4.261 4.277 -0.016 1
1 590 . 3 1 1 A 52 52 ALA CA C 52 53.119 51.351 1.768 1
1 591 . 3 1 1 A 52 52 ALA CB C 52 19.175 18.145 1.030 1
1 592 . 3 1 1 A 52 52 ALA N N 52 125.354 122.065 3.289 1
1 593 . 3 1 1 A 53 53 ILE H H 53 7.858 7.847 0.011 1
1 594 . 3 1 1 A 53 53 ILE HA H 53 4.094 3.766 0.328 1
1 604 . 3 1 1 A 53 53 ILE CA C 53 61.666 64.204 -2.538 1
1 605 . 3 1 1 A 53 53 ILE CB C 53 39.015 36.029 2.986 1
1 609 . 3 1 1 A 53 53 ILE N N 53 118.218 114.622 3.596 1
1 610 . 3 1 1 A 54 54 SER H H 54 8.152 7.840 0.312 1
1 611 . 3 1 1 A 54 54 SER HA H 54 4.348 4.722 -0.374 1
1 614 . 3 1 1 A 54 54 SER CA C 54 58.678 57.627 1.051 1
1 615 . 3 1 1 A 54 54 SER CB C 54 64.002 67.217 -3.215 1
1 616 . 3 1 1 A 54 54 SER N N 54 118.590 114.621 3.969 1
1 617 . 3 1 1 A 55 55 GLN H H 55 8.298 8.495 -0.197 1
1 618 . 3 1 1 A 55 55 GLN HA H 55 4.198 3.947 0.251 1
1 625 . 3 1 1 A 55 55 GLN CA C 55 56.690 57.839 -1.149 1
1 626 . 3 1 1 A 55 55 GLN CB C 55 29.393 28.438 0.955 1
1 628 . 3 1 1 A 55 55 GLN N N 55 122.154 124.006 -1.852 1
1 630 . 3 1 1 A 56 56 LYS H H 56 8.153 7.978 0.175 1
1 631 . 3 1 1 A 56 56 LYS HA H 56 4.161 4.497 -0.336 1
1 636 . 3 1 1 A 56 56 LYS CA C 56 57.174 56.178 0.996 1
1 637 . 3 1 1 A 56 56 LYS CB C 56 32.991 34.293 -1.302 1
1 639 . 3 1 1 A 56 56 LYS N N 56 121.127 117.939 3.188 1
1 640 . 3 1 1 A 57 57 GLU H H 57 8.201 8.219 -0.018 1
1 641 . 3 1 1 A 57 57 GLU HA H 57 4.151 4.456 -0.305 1
1 646 . 3 1 1 A 57 57 GLU CA C 57 57.273 58.191 -0.918 1
1 647 . 3 1 1 A 57 57 GLU CB C 57 30.262 30.772 -0.510 1
1 649 . 3 1 1 A 57 57 GLU N N 57 120.626 118.452 2.174 1
1 650 . 3 1 1 A 58 58 TYR H H 58 8.057 8.430 -0.373 1
1 651 . 3 1 1 A 58 58 TYR HA H 58 4.375 4.329 0.046 1
1 658 . 3 1 1 A 58 58 TYR CA C 58 58.721 60.457 -1.736 1
1 659 . 3 1 1 A 58 58 TYR CB C 58 39.096 37.251 1.845 1
1 660 . 3 1 1 A 58 58 TYR N N 58 120.841 118.557 2.284 1
1 661 . 3 1 1 A 59 59 ASP H H 59 8.144 8.213 -0.069 1
1 662 . 3 1 1 A 59 59 ASP HA H 59 4.493 3.895 0.598 1
1 665 . 3 1 1 A 59 59 ASP CA C 59 54.505 54.801 -0.296 1
1 666 . 3 1 1 A 59 59 ASP CB C 59 41.233 39.606 1.627 1
1 667 . 3 1 1 A 59 59 ASP N N 59 122.549 120.726 1.823 1
1 668 . 3 1 1 A 60 60 SER H H 60 8.245 7.740 0.505 1
1 669 . 3 1 1 A 60 60 SER HA H 60 4.255 4.283 -0.028 1
1 670 . 3 1 1 A 60 60 SER CA C 60 59.650 61.526 -1.876 1
1 671 . 3 1 1 A 60 60 SER N N 60 117.646 115.921 1.725 1
1 672 . 3 1 1 A 61 61 SER H H 61 8.329 8.004 0.325 1
1 673 . 3 1 1 A 61 61 SER HA H 61 4.307 4.467 -0.160 1
1 676 . 3 1 1 A 61 61 SER CA C 61 59.882 59.249 0.633 1
1 677 . 3 1 1 A 61 61 SER CB C 61 63.888 64.123 -0.235 1
1 678 . 3 1 1 A 61 61 SER N N 61 118.138 116.199 1.939 1
1 679 . 3 1 1 A 62 62 LEU H H 62 7.753 7.543 0.210 1
1 680 . 3 1 1 A 62 62 LEU HA H 62 4.227 4.186 0.041 1
1 690 . 3 1 1 A 62 62 LEU CA C 62 55.640 56.182 -0.542 1
1 691 . 3 1 1 A 62 62 LEU CB C 62 42.389 42.903 -0.514 1
1 695 . 3 1 1 A 62 62 LEU N N 62 122.616 118.728 3.888 1
1 696 . 3 1 1 A 63 63 ALA H H 63 7.908 7.612 0.296 1
1 697 . 3 1 1 A 63 63 ALA HA H 63 4.266 4.583 -0.317 1
1 701 . 3 1 1 A 63 63 ALA CA C 63 53.071 51.546 1.525 1
1 702 . 3 1 1 A 63 63 ALA CB C 63 19.373 18.962 0.411 1
1 703 . 3 1 1 A 63 63 ALA N N 63 123.326 115.816 7.510 1
1 704 . 3 1 1 A 64 64 THR H H 64 7.855 8.145 -0.290 1
1 705 . 3 1 1 A 64 64 THR HA H 64 4.212 4.092 0.120 1
1 710 . 3 1 1 A 64 64 THR CA C 64 61.955 64.542 -2.587 1
1 711 . 3 1 1 A 64 64 THR CB C 64 69.997 68.566 1.431 1
1 713 . 3 1 1 A 64 64 THR N N 64 112.019 115.753 -3.734 1
1 714 . 3 1 1 A 65 65 LEU H H 65 7.970 9.389 -1.419 1
1 715 . 3 1 1 A 65 65 LEU HA H 65 4.290 3.908 0.382 1
1 725 . 3 1 1 A 65 65 LEU CA C 65 55.509 56.305 -0.796 1
1 726 . 3 1 1 A 65 65 LEU CB C 65 42.619 40.255 2.364 1
1 730 . 3 1 1 A 65 65 LEU N N 65 123.564 127.001 -3.437 1
1 731 . 3 1 1 A 66 66 ASP H H 66 8.271 8.431 -0.160 1
1 732 . 3 1 1 A 66 66 ASP HA H 66 4.538 4.123 0.415 1
1 735 . 3 1 1 A 66 66 ASP CA C 66 54.906 55.574 -0.668 1
1 736 . 3 1 1 A 66 66 ASP CB C 66 41.384 39.421 1.963 1
1 737 . 3 1 1 A 66 66 ASP N N 66 120.385 110.287 10.098 1
1 738 . 3 1 1 A 67 67 HIS H H 67 8.020 7.717 0.303 1
1 739 . 3 1 1 A 67 67 HIS HA H 67 5.236 5.072 0.164 1
1 744 . 3 1 1 A 67 67 HIS CA C 67 55.411 56.480 -1.069 1
1 745 . 3 1 1 A 67 67 HIS CB C 67 32.135 31.223 0.912 1
1 746 . 3 1 1 A 67 67 HIS N N 67 119.214 117.168 2.046 1
1 747 . 3 1 1 A 68 68 THR H H 68 8.903 8.803 0.100 1
1 748 . 3 1 1 A 68 68 THR HA H 68 4.474 4.925 -0.451 1
1 753 . 3 1 1 A 68 68 THR CA C 68 62.536 61.132 1.404 1
1 754 . 3 1 1 A 68 68 THR CB C 68 71.267 72.320 -1.053 1
1 756 . 3 1 1 A 68 68 THR N N 68 117.138 114.629 2.509 1
1 757 . 3 1 1 A 69 69 GLU H H 69 8.630 8.763 -0.133 1
1 758 . 3 1 1 A 69 69 GLU HA H 69 4.480 5.139 -0.659 1
1 763 . 3 1 1 A 69 69 GLU CA C 69 56.016 55.513 0.503 1
1 764 . 3 1 1 A 69 69 GLU CB C 69 31.824 32.069 -0.245 1
1 766 . 3 1 1 A 69 69 GLU N N 69 124.226 123.827 0.399 1
1 767 . 3 1 1 A 70 70 ILE H H 70 8.589 8.690 -0.101 1
1 768 . 3 1 1 A 70 70 ILE HA H 70 4.405 5.003 -0.598 1
1 778 . 3 1 1 A 70 70 ILE CA C 70 59.367 59.852 -0.485 1
1 779 . 3 1 1 A 70 70 ILE CB C 70 37.492 41.013 -3.521 1
1 783 . 3 1 1 A 70 70 ILE N N 70 123.526 121.419 2.107 1
1 784 . 3 1 1 A 71 71 LYS H H 71 8.910 8.969 -0.059 1
1 785 . 3 1 1 A 71 71 LYS HA H 71 5.070 4.942 0.128 1
1 790 . 3 1 1 A 71 71 LYS CA C 71 54.732 54.297 0.435 1
1 791 . 3 1 1 A 71 71 LYS CB C 71 36.388 36.084 0.304 1
1 793 . 3 1 1 A 71 71 LYS N N 71 128.313 124.491 3.822 1
1 794 . 3 1 1 A 72 72 ALA H H 72 8.623 8.877 -0.254 1
1 795 . 3 1 1 A 72 72 ALA HA H 72 4.060 4.319 -0.259 1
1 799 . 3 1 1 A 72 72 ALA CA C 72 50.119 50.859 -0.740 1
1 800 . 3 1 1 A 72 72 ALA CB C 72 17.261 18.203 -0.942 1
1 801 . 3 1 1 A 72 72 ALA N N 72 123.091 122.664 0.427 1
1 802 . 3 1 1 A 73 73 PRO HA H 73 4.328 4.401 -0.073 1
1 809 . 3 1 1 A 73 73 PRO CA C 73 63.731 64.403 -0.672 1
1 810 . 3 1 1 A 73 73 PRO CB C 73 32.196 32.019 0.177 1
1 813 . 3 1 1 A 74 74 PHE H H 74 6.758 6.865 -0.107 1
1 814 . 3 1 1 A 74 74 PHE HA H 74 4.414 4.914 -0.500 1
1 821 . 3 1 1 A 74 74 PHE CA C 74 54.539 56.082 -1.543 1
1 822 . 3 1 1 A 74 74 PHE CB C 74 40.862 40.486 0.376 1
1 823 . 3 1 1 A 74 74 PHE N N 74 112.045 112.330 -0.285 1
1 824 . 3 1 1 A 75 75 ASP H H 75 8.563 8.931 -0.368 1
1 825 . 3 1 1 A 75 75 ASP HA H 75 4.915 5.180 -0.265 1
1 828 . 3 1 1 A 75 75 ASP CA C 75 54.108 55.169 -1.061 1
1 829 . 3 1 1 A 75 75 ASP CB C 75 41.011 41.852 -0.841 1
1 830 . 3 1 1 A 75 75 ASP N N 75 118.284 120.746 -2.462 1
1 831 . 3 1 1 A 76 76 GLY H H 76 8.340 8.315 0.025 1
1 832 . 3 1 1 A 76 76 GLY HA2 H 76 4.228 4.344 -0.116 1
1 833 . 3 1 1 A 76 76 GLY HA3 H 76 4.070 4.417 -0.347 1
1 834 . 3 1 1 A 76 76 GLY CA C 76 46.761 46.408 0.353 1
1 835 . 3 1 1 A 76 76 GLY N N 76 108.739 111.786 -3.047 1
1 836 . 3 1 1 A 77 77 THR H H 77 8.607 9.008 -0.401 1
1 837 . 3 1 1 A 77 77 THR HA H 77 4.966 5.208 -0.242 1
1 842 . 3 1 1 A 77 77 THR CA C 77 61.891 61.296 0.595 1
1 843 . 3 1 1 A 77 77 THR CB C 77 70.413 71.924 -1.511 1
1 845 . 3 1 1 A 77 77 THR N N 77 116.423 115.976 0.447 1
1 846 . 3 1 1 A 78 78 ILE H H 78 8.815 8.738 0.077 1
1 847 . 3 1 1 A 78 78 ILE HA H 78 4.656 4.956 -0.300 1
1 857 . 3 1 1 A 78 78 ILE CA C 78 60.214 59.556 0.658 1
1 858 . 3 1 1 A 78 78 ILE CB C 78 43.110 42.233 0.877 1
1 862 . 3 1 1 A 78 78 ILE N N 78 129.313 123.205 6.108 1
1 863 . 3 1 1 A 79 79 GLY H H 79 8.052 8.819 -0.767 1
1 864 . 3 1 1 A 79 79 GLY HA2 H 79 4.394 4.168 0.226 1
1 865 . 3 1 1 A 79 79 GLY HA3 H 79 3.765 4.174 -0.409 1
1 866 . 3 1 1 A 79 79 GLY CA C 79 44.297 44.234 0.063 1
1 867 . 3 1 1 A 79 79 GLY N N 79 114.522 116.281 -1.759 1
1 868 . 3 1 1 A 80 80 ASP H H 80 7.792 8.558 -0.766 1
1 869 . 3 1 1 A 80 80 ASP HA H 80 4.706 4.581 0.125 1
1 872 . 3 1 1 A 80 80 ASP CA C 80 53.784 54.634 -0.850 1
1 873 . 3 1 1 A 80 80 ASP CB C 80 42.062 40.903 1.159 1
1 874 . 3 1 1 A 80 80 ASP N N 80 113.706 118.199 -4.493 1
1 875 . 3 1 1 A 81 81 ALA H H 81 8.552 8.758 -0.206 1
1 876 . 3 1 1 A 81 81 ALA HA H 81 4.567 4.679 -0.112 1
1 880 . 3 1 1 A 81 81 ALA CA C 81 53.345 52.879 0.466 1
1 881 . 3 1 1 A 81 81 ALA CB C 81 20.325 19.165 1.160 1
1 882 . 3 1 1 A 81 81 ALA N N 81 124.168 126.146 -1.978 1
1 883 . 3 1 1 A 82 82 LEU H H 82 8.734 9.512 -0.778 1
1 884 . 3 1 1 A 82 82 LEU HA H 82 4.338 4.759 -0.421 1
1 893 . 3 1 1 A 82 82 LEU CA C 82 55.320 54.626 0.694 1
1 894 . 3 1 1 A 82 82 LEU CB C 82 41.616 43.172 -1.556 1
1 897 . 3 1 1 A 82 82 LEU N N 82 121.830 122.459 -0.629 1
1 898 . 3 1 1 A 83 83 VAL H H 83 7.136 7.641 -0.505 1
1 899 . 3 1 1 A 83 83 VAL HA H 83 4.489 4.905 -0.416 1
1 907 . 3 1 1 A 83 83 VAL CA C 83 58.552 58.795 -0.243 1
1 908 . 3 1 1 A 83 83 VAL CB C 83 35.418 36.170 -0.752 1
1 911 . 3 1 1 A 83 83 VAL N N 83 108.193 113.830 -5.637 1
1 912 . 3 1 1 A 84 84 ASN H H 84 9.073 9.097 -0.024 1
1 913 . 3 1 1 A 84 84 ASN HA H 84 4.872 5.350 -0.478 1
1 918 . 3 1 1 A 84 84 ASN CA C 84 51.417 51.470 -0.053 1
1 919 . 3 1 1 A 84 84 ASN CB C 84 42.127 43.067 -0.940 1
1 920 . 3 1 1 A 84 84 ASN N N 84 119.533 119.564 -0.031 1
1 922 . 3 1 1 A 85 85 ILE H H 85 8.390 8.524 -0.134 1
1 923 . 3 1 1 A 85 85 ILE HA H 85 3.384 3.704 -0.320 1
1 933 . 3 1 1 A 85 85 ILE CA C 85 63.985 64.083 -0.098 1
1 934 . 3 1 1 A 85 85 ILE CB C 85 37.368 37.316 0.052 1
1 938 . 3 1 1 A 85 85 ILE N N 85 119.414 122.644 -3.230 1
1 939 . 3 1 1 A 86 86 GLY H H 86 9.229 8.785 0.444 1
1 940 . 3 1 1 A 86 86 GLY HA2 H 86 4.392 4.062 0.330 1
1 941 . 3 1 1 A 86 86 GLY HA3 H 86 3.412 4.069 -0.657 1
1 942 . 3 1 1 A 86 86 GLY CA C 86 44.946 44.956 -0.010 1
1 943 . 3 1 1 A 86 86 GLY N N 86 117.337 115.531 1.806 1
1 944 . 3 1 1 A 87 87 ASP H H 87 7.956 8.301 -0.345 1
1 945 . 3 1 1 A 87 87 ASP HA H 87 4.599 4.710 -0.111 1
1 948 . 3 1 1 A 87 87 ASP CA C 87 55.055 54.932 0.123 1
1 949 . 3 1 1 A 87 87 ASP CB C 87 40.978 41.188 -0.210 1
1 950 . 3 1 1 A 87 87 ASP N N 87 121.511 122.005 -0.494 1
1 951 . 3 1 1 A 88 88 TYR H H 88 8.545 8.936 -0.391 1
1 952 . 3 1 1 A 88 88 TYR HA H 88 4.718 4.813 -0.095 1
1 959 . 3 1 1 A 88 88 TYR CA C 88 57.954 59.702 -1.748 1
1 960 . 3 1 1 A 88 88 TYR CB C 88 39.411 39.323 0.088 1
1 961 . 3 1 1 A 88 88 TYR N N 88 122.327 126.215 -3.888 1
1 962 . 3 1 1 A 89 89 VAL H H 89 8.937 8.487 0.450 1
1 963 . 3 1 1 A 89 89 VAL HA H 89 4.565 4.802 -0.237 1
1 971 . 3 1 1 A 89 89 VAL CA C 89 58.580 59.085 -0.505 1
1 972 . 3 1 1 A 89 89 VAL CB C 89 34.504 36.025 -1.521 1
1 975 . 3 1 1 A 89 89 VAL N N 89 121.838 121.158 0.680 1
1 976 . 3 1 1 A 90 90 SER H H 90 8.761 8.454 0.307 1
1 977 . 3 1 1 A 90 90 SER HA H 90 4.562 5.011 -0.449 1
1 980 . 3 1 1 A 90 90 SER CA C 90 56.974 56.012 0.962 1
1 981 . 3 1 1 A 90 90 SER CB C 90 65.027 65.422 -0.395 1
1 982 . 3 1 1 A 90 90 SER N N 90 114.806 116.265 -1.459 1
1 983 . 3 1 1 A 91 91 ALA H H 91 8.692 8.924 -0.232 1
1 984 . 3 1 1 A 91 91 ALA HA H 91 3.505 4.068 -0.563 1
1 988 . 3 1 1 A 91 91 ALA CA C 91 53.471 54.744 -1.273 1
1 989 . 3 1 1 A 91 91 ALA CB C 91 18.719 18.401 0.318 1
1 990 . 3 1 1 A 91 91 ALA N N 91 129.873 129.037 0.836 1
1 991 . 3 1 1 A 92 92 SER H H 92 9.156 8.166 0.990 1
1 992 . 3 1 1 A 92 92 SER HA H 92 3.804 4.773 -0.969 1
1 995 . 3 1 1 A 92 92 SER CA C 92 60.827 57.419 3.408 1
1 996 . 3 1 1 A 92 92 SER CB C 92 62.630 65.066 -2.436 1
1 997 . 3 1 1 A 92 92 SER N N 92 113.297 113.586 -0.289 1
1 998 . 3 1 1 A 93 93 THR H H 93 7.806 7.358 0.448 1
1 999 . 3 1 1 A 93 93 THR HA H 93 4.387 4.387 0.000 1
1 1004 . 3 1 1 A 93 93 THR CA C 93 64.607 63.428 1.179 1
1 1005 . 3 1 1 A 93 93 THR CB C 93 71.127 69.945 1.182 1
1 1007 . 3 1 1 A 93 93 THR N N 93 113.896 114.344 -0.448 1
1 1008 . 3 1 1 A 94 94 THR H H 94 7.691 7.604 0.087 1
1 1009 . 3 1 1 A 94 94 THR HA H 94 3.899 4.460 -0.561 1
1 1014 . 3 1 1 A 94 94 THR CA C 94 65.258 62.382 2.876 1
1 1015 . 3 1 1 A 94 94 THR CB C 94 70.283 71.079 -0.796 1
1 1017 . 3 1 1 A 94 94 THR N N 94 119.603 111.110 8.493 1
1 1018 . 3 1 1 A 95 95 GLU H H 95 8.389 7.965 0.424 1
1 1019 . 3 1 1 A 95 95 GLU HA H 95 3.793 4.143 -0.350 1
1 1024 . 3 1 1 A 95 95 GLU CA C 95 56.783 57.691 -0.908 1
1 1025 . 3 1 1 A 95 95 GLU CB C 95 29.777 28.481 1.296 1
1 1027 . 3 1 1 A 95 95 GLU N N 95 124.816 117.967 6.849 1
1 1028 . 3 1 1 A 96 96 LEU H H 96 8.735 8.440 0.295 1
1 1029 . 3 1 1 A 96 96 LEU HA H 96 4.249 4.249 0.000 1
1 1039 . 3 1 1 A 96 96 LEU CA C 96 57.071 55.697 1.374 1
1 1040 . 3 1 1 A 96 96 LEU CB C 96 43.517 42.305 1.212 1
1 1044 . 3 1 1 A 96 96 LEU N N 96 120.104 125.590 -5.486 1
1 1045 . 3 1 1 A 97 97 VAL H H 97 7.049 7.327 -0.278 1
1 1046 . 3 1 1 A 97 97 VAL HA H 97 4.334 4.372 -0.038 1
1 1054 . 3 1 1 A 97 97 VAL CA C 97 61.411 61.041 0.370 1
1 1055 . 3 1 1 A 97 97 VAL CB C 97 31.724 34.295 -2.571 1
1 1058 . 3 1 1 A 97 97 VAL N N 97 112.399 114.496 -2.097 1
1 1059 . 3 1 1 A 98 98 ARG H H 98 8.968 8.394 0.574 1
1 1060 . 3 1 1 A 98 98 ARG HA H 98 5.255 4.704 0.551 1
1 1067 . 3 1 1 A 98 98 ARG CA C 98 55.391 55.873 -0.482 1
1 1068 . 3 1 1 A 98 98 ARG CB C 98 32.925 30.779 2.146 1
1 1071 . 3 1 1 A 98 98 ARG N N 98 127.489 123.703 3.786 1
1 1072 . 3 1 1 A 99 99 VAL H H 99 8.884 8.560 0.324 1
1 1073 . 3 1 1 A 99 99 VAL HA H 99 4.554 4.883 -0.329 1
1 1078 . 3 1 1 A 99 99 VAL CA C 99 60.996 61.260 -0.264 1
1 1079 . 3 1 1 A 99 99 VAL CB C 99 34.358 33.962 0.396 1
1 1081 . 3 1 1 A 99 99 VAL N N 99 122.863 123.207 -0.344 1
1 1082 . 3 1 1 A 100 100 THR H H 100 8.823 9.184 -0.361 1
1 1083 . 3 1 1 A 100 100 THR HA H 100 4.552 5.105 -0.553 1
1 1088 . 3 1 1 A 100 100 THR CA C 100 61.105 60.715 0.390 1
1 1089 . 3 1 1 A 100 100 THR CB C 100 70.859 71.578 -0.719 1
1 1091 . 3 1 1 A 100 100 THR N N 100 121.813 122.395 -0.582 1
1 1092 . 3 1 1 A 101 101 ASN H H 101 8.146 9.131 -0.985 1
1 1093 . 3 1 1 A 101 101 ASN HA H 101 4.505 5.089 -0.584 1
1 1098 . 3 1 1 A 101 101 ASN CA C 101 54.283 52.777 1.506 1
1 1099 . 3 1 1 A 101 101 ASN CB C 101 38.631 38.462 0.169 1
1 1100 . 3 1 1 A 101 101 ASN N N 101 122.582 128.725 -6.143 1
1 1102 . 3 1 1 A 102 102 LEU H H 102 8.154 8.569 -0.415 1
1 1103 . 3 1 1 A 102 102 LEU HA H 102 4.236 4.283 -0.047 1
1 1113 . 3 1 1 A 102 102 LEU CA C 102 55.618 54.892 0.726 1
1 1114 . 3 1 1 A 102 102 LEU CB C 102 42.842 42.434 0.408 1
1 1118 . 3 1 1 A 102 102 LEU N N 102 122.572 127.507 -4.935 1
1 1119 . 3 1 1 A 103 103 ASN H H 103 8.393 8.440 -0.047 1
1 1120 . 3 1 1 A 103 103 ASN HA H 103 4.862 4.580 0.282 1
1 1125 . 3 1 1 A 103 103 ASN CA C 103 51.431 51.737 -0.306 1
1 1126 . 3 1 1 A 103 103 ASN CB C 103 39.172 37.394 1.778 1
1 1127 . 3 1 1 A 103 103 ASN N N 103 120.155 119.268 0.887 1
1 1129 . 3 1 1 A 104 104 PRO HA H 104 4.224 4.380 -0.156 1
1 1136 . 3 1 1 A 104 104 PRO CA C 104 63.636 63.695 -0.059 1
1 1137 . 3 1 1 A 104 104 PRO CB C 104 32.301 32.991 -0.690 1
1 1140 . 3 1 1 A 105 105 ILE H H 105 7.870 7.916 -0.046 1
1 1141 . 3 1 1 A 105 105 ILE HA H 105 3.934 4.047 -0.113 1
1 1151 . 3 1 1 A 105 105 ILE CA C 105 61.566 62.534 -0.968 1
1 1152 . 3 1 1 A 105 105 ILE CB C 105 38.723 37.727 0.996 1
1 1156 . 3 1 1 A 105 105 ILE N N 105 119.425 117.448 1.977 1
1 1157 . 3 1 1 A 106 106 TYR H H 106 7.945 7.598 0.347 1
1 1158 . 3 1 1 A 106 106 TYR HA H 106 4.529 4.338 0.191 1
1 1165 . 3 1 1 A 106 106 TYR CA C 106 57.548 61.126 -3.578 1
1 1166 . 3 1 1 A 106 106 TYR CB C 106 39.048 37.418 1.630 1
1 1167 . 3 1 1 A 106 106 TYR N N 106 123.138 121.336 1.802 1
1 1168 . 3 1 1 A 107 107 ALA H H 107 8.113 7.770 0.343 1
1 1169 . 3 1 1 A 107 107 ALA HA H 107 4.213 4.300 -0.087 1
1 1173 . 3 1 1 A 107 107 ALA CA C 107 52.847 53.368 -0.521 1
1 1174 . 3 1 1 A 107 107 ALA CB C 107 19.450 18.967 0.483 1
1 1175 . 3 1 1 A 107 107 ALA N N 107 125.476 121.379 4.097 1
1 1176 . 3 1 1 A 108 108 ASP H H 108 8.140 7.795 0.345 1
1 1177 . 3 1 1 A 108 108 ASP HA H 108 4.502 4.990 -0.488 1
1 1180 . 3 1 1 A 108 108 ASP CA C 108 54.515 53.127 1.388 1
1 1181 . 3 1 1 A 108 108 ASP CB C 108 41.436 44.285 -2.849 1
1 1182 . 3 1 1 A 108 108 ASP N N 108 119.275 116.432 2.843 1
1 1183 . 3 1 1 A 109 109 GLY H H 109 8.304 8.349 -0.045 1
1 1184 . 3 1 1 A 109 109 GLY HA2 H 109 3.930 4.159 -0.229 1
1 1185 . 3 1 1 A 109 109 GLY HA3 H 109 3.844 4.297 -0.453 1
1 1186 . 3 1 1 A 109 109 GLY CA C 109 45.809 45.718 0.091 1
1 1187 . 3 1 1 A 109 109 GLY N N 109 109.463 107.980 1.483 1
1 1188 . 3 1 1 A 110 110 SER H H 110 8.169 7.969 0.200 1
1 1189 . 3 1 1 A 110 110 SER HA H 110 4.263 4.483 -0.220 1
1 1190 . 3 1 1 A 110 110 SER CA C 110 59.017 58.086 0.931 1
1 1191 . 3 1 1 A 110 110 SER N N 110 115.630 114.751 0.879 1
1 1192 . 3 1 1 A 111 111 HIS HA H 111 4.522 3.476 1.046 1
1 1195 . 3 1 1 A 111 111 HIS CA C 111 56.269 56.651 -0.382 1
1 1196 . 3 1 1 A 111 111 HIS CB C 111 30.558 30.123 0.435 1
1 1197 . 3 1 1 A 112 112 HIS HA H 112 4.341 4.650 -0.309 1
1 1200 . 3 1 1 A 112 112 HIS CA C 112 57.660 55.532 2.128 1
1 2 . 4 1 1 A 2 2 VAL H H 2 8.608 8.139 0.469 1
1 3 . 4 1 1 A 2 2 VAL HA H 2 4.472 4.106 0.366 1
1 11 . 4 1 1 A 2 2 VAL CA C 2 61.161 62.593 -1.432 1
1 12 . 4 1 1 A 2 2 VAL CB C 2 35.825 32.480 3.345 1
1 15 . 4 1 1 A 2 2 VAL N N 2 117.995 117.964 0.031 1
1 16 . 4 1 1 A 3 3 ILE H H 3 8.424 8.811 -0.387 1
1 17 . 4 1 1 A 3 3 ILE HA H 3 4.489 4.630 -0.141 1
1 27 . 4 1 1 A 3 3 ILE CA C 3 60.273 60.420 -0.147 1
1 28 . 4 1 1 A 3 3 ILE CB C 3 38.595 38.600 -0.005 1
1 32 . 4 1 1 A 3 3 ILE N N 3 125.647 126.578 -0.931 1
1 33 . 4 1 1 A 4 4 ILE H H 4 8.531 8.854 -0.323 1
1 34 . 4 1 1 A 4 4 ILE HA H 4 3.990 4.146 -0.156 1
1 44 . 4 1 1 A 4 4 ILE CA C 4 61.656 61.845 -0.189 1
1 45 . 4 1 1 A 4 4 ILE CB C 4 38.183 38.574 -0.391 1
1 49 . 4 1 1 A 4 4 ILE N N 4 127.472 130.366 -2.894 1
1 50 . 4 1 1 A 5 5 LYS H H 5 8.277 8.770 -0.493 1
1 51 . 4 1 1 A 5 5 LYS HA H 5 5.164 4.702 0.462 1
1 60 . 4 1 1 A 5 5 LYS CA C 5 53.440 52.904 0.536 1
1 61 . 4 1 1 A 5 5 LYS CB C 5 33.808 35.355 -1.547 1
1 65 . 4 1 1 A 5 5 LYS N N 5 126.697 126.283 0.414 1
1 66 . 4 1 1 A 6 6 PRO HA H 6 4.370 4.722 -0.352 1
1 73 . 4 1 1 A 6 6 PRO CA C 6 62.493 62.166 0.327 1
1 74 . 4 1 1 A 6 6 PRO CB C 6 32.091 32.693 -0.602 1
1 77 . 4 1 1 A 7 7 GLN H H 7 9.334 8.359 0.975 1
1 78 . 4 1 1 A 7 7 GLN HA H 7 4.348 4.113 0.235 1
1 85 . 4 1 1 A 7 7 GLN CA C 7 56.384 56.775 -0.391 1
1 86 . 4 1 1 A 7 7 GLN CB C 7 28.934 28.512 0.422 1
1 88 . 4 1 1 A 7 7 GLN N N 7 119.944 119.316 0.628 1
1 90 . 4 1 1 A 8 8 VAL H H 8 7.021 7.292 -0.271 1
1 91 . 4 1 1 A 8 8 VAL HA H 8 4.476 4.815 -0.339 1
1 99 . 4 1 1 A 8 8 VAL CA C 8 58.999 58.803 0.196 1
1 100 . 4 1 1 A 8 8 VAL CB C 8 35.347 35.578 -0.231 1
1 103 . 4 1 1 A 8 8 VAL N N 8 111.118 114.741 -3.623 1
1 104 . 4 1 1 A 9 9 SER H H 9 8.155 8.628 -0.473 1
1 105 . 4 1 1 A 9 9 SER HA H 9 4.945 4.510 0.435 1
1 108 . 4 1 1 A 9 9 SER CA C 9 56.704 58.184 -1.480 1
1 109 . 4 1 1 A 9 9 SER CB C 9 64.645 64.702 -0.057 1
1 110 . 4 1 1 A 9 9 SER N N 9 114.983 117.336 -2.353 1
1 111 . 4 1 1 A 10 10 GLY H H 10 7.981 8.151 -0.170 1
1 112 . 4 1 1 A 10 10 GLY HA2 H 10 4.416 4.253 0.163 1
1 113 . 4 1 1 A 10 10 GLY HA3 H 10 3.643 4.353 -0.710 1
1 114 . 4 1 1 A 10 10 GLY CA C 10 45.433 44.768 0.665 1
1 115 . 4 1 1 A 10 10 GLY N N 10 108.602 107.665 0.937 1
1 116 . 4 1 1 A 11 11 VAL H H 11 8.018 8.508 -0.490 1
1 117 . 4 1 1 A 11 11 VAL HA H 11 4.740 5.277 -0.537 1
1 125 . 4 1 1 A 11 11 VAL CA C 11 60.580 59.130 1.450 1
1 126 . 4 1 1 A 11 11 VAL CB C 11 35.124 35.518 -0.394 1
1 129 . 4 1 1 A 11 11 VAL N N 11 118.346 117.659 0.687 1
1 130 . 4 1 1 A 12 12 ILE H H 12 8.452 8.978 -0.526 1
1 131 . 4 1 1 A 12 12 ILE HA H 12 4.042 4.333 -0.291 1
1 141 . 4 1 1 A 12 12 ILE CA C 12 60.400 62.376 -1.976 1
1 142 . 4 1 1 A 12 12 ILE CB C 12 35.725 38.210 -2.485 1
1 146 . 4 1 1 A 12 12 ILE N N 12 125.267 125.150 0.117 1
1 147 . 4 1 1 A 13 13 VAL H H 13 8.900 9.362 -0.462 1
1 148 . 4 1 1 A 13 13 VAL HA H 13 4.492 4.320 0.172 1
1 156 . 4 1 1 A 13 13 VAL CA C 13 62.168 63.326 -1.158 1
1 157 . 4 1 1 A 13 13 VAL CB C 13 33.406 33.726 -0.320 1
1 160 . 4 1 1 A 13 13 VAL N N 13 124.539 125.905 -1.366 1
1 161 . 4 1 1 A 14 14 ASN H H 14 7.649 7.908 -0.259 1
1 162 . 4 1 1 A 14 14 ASN HA H 14 4.805 5.190 -0.385 1
1 167 . 4 1 1 A 14 14 ASN CA C 14 52.950 52.321 0.629 1
1 168 . 4 1 1 A 14 14 ASN CB C 14 42.149 42.112 0.037 1
1 169 . 4 1 1 A 14 14 ASN N N 14 115.008 116.821 -1.813 1
1 171 . 4 1 1 A 15 15 LYS H H 15 8.393 8.579 -0.186 1
1 172 . 4 1 1 A 15 15 LYS HA H 15 4.640 4.643 -0.003 1
1 179 . 4 1 1 A 15 15 LYS CA C 15 55.987 54.791 1.196 1
1 180 . 4 1 1 A 15 15 LYS CB C 15 35.412 33.301 2.111 1
1 183 . 4 1 1 A 15 15 LYS N N 15 123.820 122.907 0.913 1
1 184 . 4 1 1 A 16 16 LEU H H 16 8.015 8.445 -0.430 1
1 185 . 4 1 1 A 16 16 LEU HA H 16 4.983 3.863 1.120 1
1 195 . 4 1 1 A 16 16 LEU CA C 16 55.202 57.897 -2.695 1
1 196 . 4 1 1 A 16 16 LEU CB C 16 41.471 42.133 -0.662 1
1 200 . 4 1 1 A 16 16 LEU N N 16 126.200 126.413 -0.213 1
1 201 . 4 1 1 A 17 17 PHE H H 17 6.522 7.288 -0.766 1
1 202 . 4 1 1 A 17 17 PHE HA H 17 4.858 4.469 0.389 1
1 210 . 4 1 1 A 17 17 PHE CA C 17 55.675 56.789 -1.114 1
1 211 . 4 1 1 A 17 17 PHE CB C 17 41.329 40.374 0.955 1
1 212 . 4 1 1 A 17 17 PHE N N 17 113.650 116.281 -2.631 1
1 213 . 4 1 1 A 18 18 LYS H H 18 8.648 8.877 -0.229 1
1 214 . 4 1 1 A 18 18 LYS HA H 18 4.325 4.307 0.018 1
1 223 . 4 1 1 A 18 18 LYS CA C 18 54.442 53.789 0.653 1
1 224 . 4 1 1 A 18 18 LYS CB C 18 35.233 35.902 -0.669 1
1 228 . 4 1 1 A 18 18 LYS N N 18 120.586 118.062 2.524 1
1 229 . 4 1 1 A 19 19 ALA H H 19 8.396 8.394 0.002 1
1 230 . 4 1 1 A 19 19 ALA HA H 19 3.956 4.336 -0.380 1
1 234 . 4 1 1 A 19 19 ALA CA C 19 54.151 53.997 0.154 1
1 235 . 4 1 1 A 19 19 ALA CB C 19 18.681 18.403 0.278 1
1 236 . 4 1 1 A 19 19 ALA N N 19 123.901 126.498 -2.597 1
1 237 . 4 1 1 A 20 20 GLY H H 20 8.806 8.865 -0.059 1
1 238 . 4 1 1 A 20 20 GLY HA2 H 20 4.299 4.002 0.297 1
1 239 . 4 1 1 A 20 20 GLY HA3 H 20 3.523 4.025 -0.502 1
1 240 . 4 1 1 A 20 20 GLY CA C 20 45.190 45.169 0.021 1
1 241 . 4 1 1 A 20 20 GLY N N 20 112.460 111.887 0.573 1
1 242 . 4 1 1 A 21 21 ASP H H 21 7.923 8.114 -0.191 1
1 243 . 4 1 1 A 21 21 ASP HA H 21 4.489 4.693 -0.204 1
1 246 . 4 1 1 A 21 21 ASP CA C 21 55.477 53.520 1.957 1
1 247 . 4 1 1 A 21 21 ASP CB C 21 41.593 42.293 -0.700 1
1 248 . 4 1 1 A 21 21 ASP N N 21 121.531 122.050 -0.519 1
1 249 . 4 1 1 A 22 22 LYS H H 22 8.292 8.418 -0.126 1
1 250 . 4 1 1 A 22 22 LYS HA H 22 4.861 4.826 0.035 1
1 259 . 4 1 1 A 22 22 LYS CA C 22 55.789 54.877 0.912 1
1 260 . 4 1 1 A 22 22 LYS CB C 22 31.948 34.822 -2.874 1
1 264 . 4 1 1 A 22 22 LYS N N 22 120.223 121.290 -1.067 1
1 265 . 4 1 1 A 23 23 VAL H H 23 8.929 8.881 0.048 1
1 266 . 4 1 1 A 23 23 VAL HA H 23 4.828 5.049 -0.221 1
1 274 . 4 1 1 A 23 23 VAL CA C 23 58.619 59.215 -0.596 1
1 275 . 4 1 1 A 23 23 VAL CB C 23 34.776 35.577 -0.801 1
1 278 . 4 1 1 A 23 23 VAL N N 23 117.770 118.714 -0.944 1
1 279 . 4 1 1 A 24 24 LYS H H 24 7.952 8.450 -0.498 1
1 280 . 4 1 1 A 24 24 LYS HA H 24 4.828 4.377 0.451 1
1 289 . 4 1 1 A 24 24 LYS CA C 24 53.316 55.597 -2.281 1
1 290 . 4 1 1 A 24 24 LYS CB C 24 35.370 33.367 2.003 1
1 294 . 4 1 1 A 24 24 LYS N N 24 121.890 125.008 -3.118 1
1 295 . 4 1 1 A 25 25 LYS H H 25 8.903 8.715 0.188 1
1 296 . 4 1 1 A 25 25 LYS HA H 25 3.152 4.174 -1.022 1
1 304 . 4 1 1 A 25 25 LYS CA C 25 58.780 56.192 2.588 1
1 305 . 4 1 1 A 25 25 LYS CB C 25 32.788 30.732 2.056 1
1 309 . 4 1 1 A 25 25 LYS N N 25 121.717 122.981 -1.264 1
1 310 . 4 1 1 A 26 26 GLY H H 26 8.887 8.538 0.349 1
1 311 . 4 1 1 A 26 26 GLY HA2 H 26 4.277 3.929 0.348 1
1 312 . 4 1 1 A 26 26 GLY HA3 H 26 3.462 3.970 -0.508 1
1 313 . 4 1 1 A 26 26 GLY CA C 26 45.387 45.277 0.110 1
1 314 . 4 1 1 A 26 26 GLY N N 26 115.271 104.759 10.512 1
1 315 . 4 1 1 A 27 27 GLN H H 27 8.423 7.975 0.448 1
1 316 . 4 1 1 A 27 27 GLN HA H 27 4.134 4.332 -0.198 1
1 323 . 4 1 1 A 27 27 GLN CA C 27 56.461 56.151 0.310 1
1 324 . 4 1 1 A 27 27 GLN CB C 27 30.655 29.042 1.613 1
1 326 . 4 1 1 A 27 27 GLN N N 27 123.160 119.838 3.322 1
1 328 . 4 1 1 A 28 28 THR H H 28 9.094 8.723 0.371 1
1 329 . 4 1 1 A 28 28 THR HA H 28 3.884 4.199 -0.315 1
1 334 . 4 1 1 A 28 28 THR CA C 28 66.017 64.172 1.845 1
1 335 . 4 1 1 A 28 28 THR CB C 28 68.577 69.043 -0.466 1
1 337 . 4 1 1 A 28 28 THR N N 28 124.723 117.659 7.064 1
1 338 . 4 1 1 A 29 29 LEU H H 29 9.499 9.373 0.126 1
1 339 . 4 1 1 A 29 29 LEU HA H 29 4.373 4.434 -0.061 1
1 349 . 4 1 1 A 29 29 LEU CA C 29 55.960 55.699 0.261 1
1 350 . 4 1 1 A 29 29 LEU CB C 29 44.601 43.387 1.214 1
1 354 . 4 1 1 A 29 29 LEU N N 29 125.894 127.114 -1.220 1
1 355 . 4 1 1 A 30 30 PHE H H 30 7.572 7.732 -0.160 1
1 356 . 4 1 1 A 30 30 PHE HA H 30 5.360 5.447 -0.087 1
1 364 . 4 1 1 A 30 30 PHE CA C 30 55.655 56.092 -0.437 1
1 365 . 4 1 1 A 30 30 PHE CB C 30 45.053 43.197 1.856 1
1 366 . 4 1 1 A 30 30 PHE N N 30 111.166 114.771 -3.605 1
1 367 . 4 1 1 A 31 31 ILE H H 31 7.850 8.393 -0.543 1
1 368 . 4 1 1 A 31 31 ILE HA H 31 4.808 4.895 -0.087 1
1 378 . 4 1 1 A 31 31 ILE CA C 31 60.159 59.116 1.043 1
1 379 . 4 1 1 A 31 31 ILE CB C 31 39.584 41.618 -2.034 1
1 383 . 4 1 1 A 31 31 ILE N N 31 119.419 119.643 -0.224 1
1 384 . 4 1 1 A 32 32 ILE H H 32 9.095 9.045 0.050 1
1 385 . 4 1 1 A 32 32 ILE HA H 32 4.830 5.405 -0.575 1
1 395 . 4 1 1 A 32 32 ILE CA C 32 59.205 59.712 -0.507 1
1 396 . 4 1 1 A 32 32 ILE CB C 32 42.206 41.414 0.792 1
1 400 . 4 1 1 A 32 32 ILE N N 32 127.930 126.319 1.611 1
1 401 . 4 1 1 A 33 33 GLU H H 33 9.089 9.192 -0.103 1
1 402 . 4 1 1 A 33 33 GLU HA H 33 4.674 4.952 -0.278 1
1 407 . 4 1 1 A 33 33 GLU CA C 33 55.047 54.810 0.237 1
1 408 . 4 1 1 A 33 33 GLU CB C 33 31.851 31.350 0.501 1
1 410 . 4 1 1 A 33 33 GLU N N 33 128.159 125.243 2.916 1
1 411 . 4 1 1 A 34 34 GLN H H 34 8.705 8.814 -0.109 1
1 412 . 4 1 1 A 34 34 GLN HA H 34 4.362 4.158 0.204 1
1 419 . 4 1 1 A 34 34 GLN CA C 34 56.933 58.642 -1.709 1
1 420 . 4 1 1 A 34 34 GLN CB C 34 30.273 29.228 1.045 1
1 422 . 4 1 1 A 34 34 GLN N N 34 128.144 125.905 2.239 1
1 424 . 4 1 1 A 35 35 ASP H H 35 8.488 7.696 0.792 1
1 425 . 4 1 1 A 35 35 ASP HA H 35 4.608 4.761 -0.153 1
1 428 . 4 1 1 A 35 35 ASP CA C 35 54.124 53.378 0.746 1
1 429 . 4 1 1 A 35 35 ASP CB C 35 41.702 42.561 -0.859 1
1 430 . 4 1 1 A 35 35 ASP N N 35 122.441 114.856 7.585 1
1 431 . 4 1 1 A 36 36 GLN H H 36 8.604 8.392 0.212 1
1 432 . 4 1 1 A 36 36 GLN HA H 36 4.021 4.770 -0.749 1
1 439 . 4 1 1 A 36 36 GLN CA C 36 57.273 54.590 2.683 1
1 440 . 4 1 1 A 36 36 GLN CB C 36 29.266 28.759 0.507 1
1 442 . 4 1 1 A 36 36 GLN N N 36 123.042 118.505 4.537 1
1 444 . 4 1 1 A 37 37 ALA H H 37 8.313 8.087 0.226 1
1 445 . 4 1 1 A 37 37 ALA HA H 37 4.212 4.072 0.140 1
1 449 . 4 1 1 A 37 37 ALA CA C 37 53.708 55.184 -1.476 1
1 450 . 4 1 1 A 37 37 ALA CB C 37 18.949 18.632 0.317 1
1 451 . 4 1 1 A 37 37 ALA N N 37 122.748 124.802 -2.054 1
1 452 . 4 1 1 A 38 38 SER H H 38 7.949 8.360 -0.411 1
1 453 . 4 1 1 A 38 38 SER HA H 38 4.285 4.246 0.039 1
1 456 . 4 1 1 A 38 38 SER CA C 38 59.468 61.458 -1.990 1
1 457 . 4 1 1 A 38 38 SER CB C 38 63.874 62.563 1.311 1
1 458 . 4 1 1 A 38 38 SER N N 38 113.828 113.260 0.568 1
1 459 . 4 1 1 A 39 39 LYS H H 39 8.107 7.924 0.183 1
1 460 . 4 1 1 A 39 39 LYS HA H 39 4.124 4.037 0.087 1
1 469 . 4 1 1 A 39 39 LYS CA C 39 57.821 59.413 -1.592 1
1 470 . 4 1 1 A 39 39 LYS CB C 39 32.978 31.951 1.027 1
1 474 . 4 1 1 A 39 39 LYS N N 39 122.900 121.774 1.126 1
1 475 . 4 1 1 A 40 40 ASP H H 40 8.173 7.765 0.408 1
1 476 . 4 1 1 A 40 40 ASP HA H 40 4.477 4.432 0.045 1
1 479 . 4 1 1 A 40 40 ASP CA C 40 55.164 56.946 -1.782 1
1 480 . 4 1 1 A 40 40 ASP CB C 40 41.359 41.065 0.294 1
1 481 . 4 1 1 A 40 40 ASP N N 40 119.696 119.338 0.358 1
1 482 . 4 1 1 A 41 41 PHE H H 41 8.022 8.282 -0.260 1
1 483 . 4 1 1 A 41 41 PHE HA H 41 4.376 4.210 0.166 1
1 488 . 4 1 1 A 41 41 PHE CA C 41 59.354 60.937 -1.583 1
1 489 . 4 1 1 A 41 41 PHE CB C 41 39.414 39.627 -0.213 1
1 490 . 4 1 1 A 41 41 PHE N N 41 121.310 120.221 1.089 1
1 491 . 4 1 1 A 42 42 ASN H H 42 8.247 8.532 -0.285 1
1 492 . 4 1 1 A 42 42 ASN HA H 42 4.483 4.815 -0.332 1
1 497 . 4 1 1 A 42 42 ASN CA C 42 54.383 56.039 -1.656 1
1 498 . 4 1 1 A 42 42 ASN CB C 42 38.853 39.114 -0.261 1
1 499 . 4 1 1 A 42 42 ASN N N 42 119.282 117.626 1.656 1
1 501 . 4 1 1 A 43 43 ARG H H 43 8.048 7.963 0.085 1
1 502 . 4 1 1 A 43 43 ARG HA H 43 4.130 4.172 -0.042 1
1 509 . 4 1 1 A 43 43 ARG CA C 43 57.429 58.709 -1.280 1
1 510 . 4 1 1 A 43 43 ARG CB C 43 30.503 30.004 0.499 1
1 513 . 4 1 1 A 43 43 ARG N N 43 121.050 118.852 2.198 1
1 514 . 4 1 1 A 44 44 SER H H 44 8.111 8.236 -0.125 1
1 515 . 4 1 1 A 44 44 SER HA H 44 4.262 4.156 0.106 1
1 518 . 4 1 1 A 44 44 SER CA C 44 59.660 61.168 -1.508 1
1 519 . 4 1 1 A 44 44 SER CB C 44 63.810 62.651 1.159 1
1 520 . 4 1 1 A 44 44 SER N N 44 115.587 114.638 0.949 1
1 521 . 4 1 1 A 45 45 LYS H H 45 7.968 7.832 0.136 1
1 522 . 4 1 1 A 45 45 LYS HA H 45 4.132 4.071 0.061 1
1 526 . 4 1 1 A 45 45 LYS CA C 45 57.193 58.997 -1.804 1
1 527 . 4 1 1 A 45 45 LYS CB C 45 32.534 32.141 0.393 1
1 529 . 4 1 1 A 45 45 LYS N N 45 122.205 121.286 0.919 1
1 530 . 4 1 1 A 46 46 ALA H H 46 7.936 8.373 -0.437 1
1 531 . 4 1 1 A 46 46 ALA HA H 46 4.179 4.125 0.054 1
1 535 . 4 1 1 A 46 46 ALA CA C 46 53.196 54.366 -1.170 1
1 536 . 4 1 1 A 46 46 ALA CB C 46 19.279 18.620 0.659 1
1 537 . 4 1 1 A 46 46 ALA N N 46 123.430 121.776 1.654 1
1 538 . 4 1 1 A 47 47 LEU H H 47 7.873 7.791 0.082 1
1 539 . 4 1 1 A 47 47 LEU HA H 47 4.147 4.152 -0.005 1
1 549 . 4 1 1 A 47 47 LEU CA C 47 55.854 57.439 -1.585 1
1 550 . 4 1 1 A 47 47 LEU CB C 47 42.536 42.129 0.407 1
1 554 . 4 1 1 A 47 47 LEU N N 47 119.760 118.509 1.251 1
1 555 . 4 1 1 A 48 48 PHE H H 48 7.960 8.026 -0.066 1
1 556 . 4 1 1 A 48 48 PHE HA H 48 4.540 4.749 -0.209 1
1 561 . 4 1 1 A 48 48 PHE CA C 48 58.150 58.014 0.136 1
1 562 . 4 1 1 A 48 48 PHE CB C 48 39.499 40.500 -1.001 1
1 563 . 4 1 1 A 48 48 PHE N N 48 119.481 114.745 4.736 1
1 564 . 4 1 1 A 49 49 SER H H 49 8.011 7.452 0.559 1
1 565 . 4 1 1 A 49 49 SER HA H 49 4.333 4.849 -0.516 1
1 566 . 4 1 1 A 49 49 SER CA C 49 58.675 56.529 2.146 1
1 567 . 4 1 1 A 49 49 SER N N 49 116.263 114.645 1.618 1
1 568 . 4 1 1 A 50 50 GLN H H 50 8.252 8.961 -0.709 1
1 569 . 4 1 1 A 50 50 GLN HA H 50 4.250 4.278 -0.028 1
1 576 . 4 1 1 A 50 50 GLN CA C 50 56.570 57.858 -1.288 1
1 577 . 4 1 1 A 50 50 GLN CB C 50 29.372 28.321 1.051 1
1 579 . 4 1 1 A 50 50 GLN N N 50 121.890 125.876 -3.986 1
1 581 . 4 1 1 A 51 51 SER H H 51 8.143 8.304 -0.161 1
1 582 . 4 1 1 A 51 51 SER HA H 51 4.332 4.454 -0.122 1
1 583 . 4 1 1 A 51 51 SER CA C 51 58.848 61.252 -2.404 1
1 584 . 4 1 1 A 51 51 SER N N 51 115.677 115.070 0.607 1
1 585 . 4 1 1 A 52 52 ALA H H 52 8.168 8.181 -0.013 1
1 586 . 4 1 1 A 52 52 ALA HA H 52 4.261 4.229 0.032 1
1 590 . 4 1 1 A 52 52 ALA CA C 52 53.119 54.316 -1.197 1
1 591 . 4 1 1 A 52 52 ALA CB C 52 19.175 18.406 0.769 1
1 592 . 4 1 1 A 52 52 ALA N N 52 125.354 123.163 2.191 1
1 593 . 4 1 1 A 53 53 ILE H H 53 7.858 7.713 0.145 1
1 594 . 4 1 1 A 53 53 ILE HA H 53 4.094 4.620 -0.526 1
1 604 . 4 1 1 A 53 53 ILE CA C 53 61.666 60.881 0.785 1
1 605 . 4 1 1 A 53 53 ILE CB C 53 39.015 39.760 -0.745 1
1 609 . 4 1 1 A 53 53 ILE N N 53 118.218 115.999 2.219 1
1 610 . 4 1 1 A 54 54 SER H H 54 8.152 7.555 0.597 1
1 611 . 4 1 1 A 54 54 SER HA H 54 4.348 4.149 0.199 1
1 614 . 4 1 1 A 54 54 SER CA C 54 58.678 60.571 -1.893 1
1 615 . 4 1 1 A 54 54 SER CB C 54 64.002 63.562 0.440 1
1 616 . 4 1 1 A 54 54 SER N N 54 118.590 118.480 0.110 1
1 617 . 4 1 1 A 55 55 GLN H H 55 8.298 8.554 -0.256 1
1 618 . 4 1 1 A 55 55 GLN HA H 55 4.198 2.637 1.561 1
1 625 . 4 1 1 A 55 55 GLN CA C 55 56.690 57.456 -0.766 1
1 626 . 4 1 1 A 55 55 GLN CB C 55 29.393 28.335 1.058 1
1 628 . 4 1 1 A 55 55 GLN N N 55 122.154 124.389 -2.235 1
1 630 . 4 1 1 A 56 56 LYS H H 56 8.153 7.740 0.413 1
1 631 . 4 1 1 A 56 56 LYS HA H 56 4.161 4.665 -0.504 1
1 636 . 4 1 1 A 56 56 LYS CA C 56 57.174 56.777 0.397 1
1 637 . 4 1 1 A 56 56 LYS CB C 56 32.991 33.786 -0.795 1
1 639 . 4 1 1 A 56 56 LYS N N 56 121.127 115.894 5.233 1
1 640 . 4 1 1 A 57 57 GLU H H 57 8.201 8.130 0.071 1
1 641 . 4 1 1 A 57 57 GLU HA H 57 4.151 4.578 -0.427 1
1 646 . 4 1 1 A 57 57 GLU CA C 57 57.273 57.475 -0.202 1
1 647 . 4 1 1 A 57 57 GLU CB C 57 30.262 31.188 -0.926 1
1 649 . 4 1 1 A 57 57 GLU N N 57 120.626 118.718 1.908 1
1 650 . 4 1 1 A 58 58 TYR H H 58 8.057 8.719 -0.662 1
1 651 . 4 1 1 A 58 58 TYR HA H 58 4.375 4.456 -0.081 1
1 658 . 4 1 1 A 58 58 TYR CA C 58 58.721 59.555 -0.834 1
1 659 . 4 1 1 A 58 58 TYR CB C 58 39.096 37.273 1.823 1
1 660 . 4 1 1 A 58 58 TYR N N 58 120.841 119.047 1.794 1
1 661 . 4 1 1 A 59 59 ASP H H 59 8.144 8.452 -0.308 1
1 662 . 4 1 1 A 59 59 ASP HA H 59 4.493 4.263 0.230 1
1 665 . 4 1 1 A 59 59 ASP CA C 59 54.505 57.128 -2.623 1
1 666 . 4 1 1 A 59 59 ASP CB C 59 41.233 41.682 -0.449 1
1 667 . 4 1 1 A 59 59 ASP N N 59 122.549 123.244 -0.695 1
1 668 . 4 1 1 A 60 60 SER H H 60 8.245 8.019 0.226 1
1 669 . 4 1 1 A 60 60 SER HA H 60 4.255 4.234 0.021 1
1 670 . 4 1 1 A 60 60 SER CA C 60 59.650 61.144 -1.494 1
1 671 . 4 1 1 A 60 60 SER N N 60 117.646 114.789 2.857 1
1 672 . 4 1 1 A 61 61 SER H H 61 8.329 7.905 0.424 1
1 673 . 4 1 1 A 61 61 SER HA H 61 4.307 4.467 -0.160 1
1 676 . 4 1 1 A 61 61 SER CA C 61 59.882 60.571 -0.689 1
1 677 . 4 1 1 A 61 61 SER CB C 61 63.888 63.763 0.125 1
1 678 . 4 1 1 A 61 61 SER N N 61 118.138 117.201 0.937 1
1 679 . 4 1 1 A 62 62 LEU H H 62 7.753 7.608 0.145 1
1 680 . 4 1 1 A 62 62 LEU HA H 62 4.227 3.975 0.252 1
1 690 . 4 1 1 A 62 62 LEU CA C 62 55.640 57.239 -1.599 1
1 691 . 4 1 1 A 62 62 LEU CB C 62 42.389 42.289 0.100 1
1 695 . 4 1 1 A 62 62 LEU N N 62 122.616 119.485 3.131 1
1 696 . 4 1 1 A 63 63 ALA H H 63 7.908 7.852 0.056 1
1 697 . 4 1 1 A 63 63 ALA HA H 63 4.266 4.529 -0.263 1
1 701 . 4 1 1 A 63 63 ALA CA C 63 53.071 51.055 2.016 1
1 702 . 4 1 1 A 63 63 ALA CB C 63 19.373 19.127 0.246 1
1 703 . 4 1 1 A 63 63 ALA N N 63 123.326 119.249 4.077 1
1 704 . 4 1 1 A 64 64 THR H H 64 7.855 8.057 -0.202 1
1 705 . 4 1 1 A 64 64 THR HA H 64 4.212 4.140 0.072 1
1 710 . 4 1 1 A 64 64 THR CA C 64 61.955 64.720 -2.765 1
1 711 . 4 1 1 A 64 64 THR CB C 64 69.997 68.628 1.369 1
1 713 . 4 1 1 A 64 64 THR N N 64 112.019 115.542 -3.523 1
1 714 . 4 1 1 A 65 65 LEU H H 65 7.970 8.861 -0.891 1
1 715 . 4 1 1 A 65 65 LEU HA H 65 4.290 3.870 0.420 1
1 725 . 4 1 1 A 65 65 LEU CA C 65 55.509 56.023 -0.514 1
1 726 . 4 1 1 A 65 65 LEU CB C 65 42.619 40.330 2.289 1
1 730 . 4 1 1 A 65 65 LEU N N 65 123.564 127.655 -4.091 1
1 731 . 4 1 1 A 66 66 ASP H H 66 8.271 8.387 -0.116 1
1 732 . 4 1 1 A 66 66 ASP HA H 66 4.538 4.337 0.201 1
1 735 . 4 1 1 A 66 66 ASP CA C 66 54.906 54.944 -0.038 1
1 736 . 4 1 1 A 66 66 ASP CB C 66 41.384 39.297 2.087 1
1 737 . 4 1 1 A 66 66 ASP N N 66 120.385 118.564 1.821 1
1 738 . 4 1 1 A 67 67 HIS H H 67 8.020 7.860 0.160 1
1 739 . 4 1 1 A 67 67 HIS HA H 67 5.236 5.060 0.176 1
1 744 . 4 1 1 A 67 67 HIS CA C 67 55.411 56.816 -1.405 1
1 745 . 4 1 1 A 67 67 HIS CB C 67 32.135 31.080 1.055 1
1 746 . 4 1 1 A 67 67 HIS N N 67 119.214 117.904 1.310 1
1 747 . 4 1 1 A 68 68 THR H H 68 8.903 8.751 0.152 1
1 748 . 4 1 1 A 68 68 THR HA H 68 4.474 4.870 -0.396 1
1 753 . 4 1 1 A 68 68 THR CA C 68 62.536 61.260 1.276 1
1 754 . 4 1 1 A 68 68 THR CB C 68 71.267 72.122 -0.855 1
1 756 . 4 1 1 A 68 68 THR N N 68 117.138 115.463 1.675 1
1 757 . 4 1 1 A 69 69 GLU H H 69 8.630 8.688 -0.058 1
1 758 . 4 1 1 A 69 69 GLU HA H 69 4.480 4.992 -0.512 1
1 763 . 4 1 1 A 69 69 GLU CA C 69 56.016 56.091 -0.075 1
1 764 . 4 1 1 A 69 69 GLU CB C 69 31.824 31.855 -0.031 1
1 766 . 4 1 1 A 69 69 GLU N N 69 124.226 124.836 -0.610 1
1 767 . 4 1 1 A 70 70 ILE H H 70 8.589 8.695 -0.106 1
1 768 . 4 1 1 A 70 70 ILE HA H 70 4.405 4.967 -0.562 1
1 778 . 4 1 1 A 70 70 ILE CA C 70 59.367 59.822 -0.455 1
1 779 . 4 1 1 A 70 70 ILE CB C 70 37.492 40.870 -3.378 1
1 783 . 4 1 1 A 70 70 ILE N N 70 123.526 121.470 2.056 1
1 784 . 4 1 1 A 71 71 LYS H H 71 8.910 8.957 -0.047 1
1 785 . 4 1 1 A 71 71 LYS HA H 71 5.070 4.958 0.112 1
1 790 . 4 1 1 A 71 71 LYS CA C 71 54.732 54.302 0.430 1
1 791 . 4 1 1 A 71 71 LYS CB C 71 36.388 36.134 0.254 1
1 793 . 4 1 1 A 71 71 LYS N N 71 128.313 124.459 3.854 1
1 794 . 4 1 1 A 72 72 ALA H H 72 8.623 9.032 -0.409 1
1 795 . 4 1 1 A 72 72 ALA HA H 72 4.060 4.365 -0.305 1
1 799 . 4 1 1 A 72 72 ALA CA C 72 50.119 50.862 -0.743 1
1 800 . 4 1 1 A 72 72 ALA CB C 72 17.261 18.258 -0.997 1
1 801 . 4 1 1 A 72 72 ALA N N 72 123.091 122.676 0.415 1
1 802 . 4 1 1 A 73 73 PRO HA H 73 4.328 4.395 -0.067 1
1 809 . 4 1 1 A 73 73 PRO CA C 73 63.731 64.380 -0.649 1
1 810 . 4 1 1 A 73 73 PRO CB C 73 32.196 31.960 0.236 1
1 813 . 4 1 1 A 74 74 PHE H H 74 6.758 6.867 -0.109 1
1 814 . 4 1 1 A 74 74 PHE HA H 74 4.414 4.975 -0.561 1
1 821 . 4 1 1 A 74 74 PHE CA C 74 54.539 56.071 -1.532 1
1 822 . 4 1 1 A 74 74 PHE CB C 74 40.862 40.540 0.322 1
1 823 . 4 1 1 A 74 74 PHE N N 74 112.045 112.315 -0.270 1
1 824 . 4 1 1 A 75 75 ASP H H 75 8.563 8.910 -0.347 1
1 825 . 4 1 1 A 75 75 ASP HA H 75 4.915 5.435 -0.520 1
1 828 . 4 1 1 A 75 75 ASP CA C 75 54.108 54.055 0.053 1
1 829 . 4 1 1 A 75 75 ASP CB C 75 41.011 42.019 -1.008 1
1 830 . 4 1 1 A 75 75 ASP N N 75 118.284 120.490 -2.206 1
1 831 . 4 1 1 A 76 76 GLY H H 76 8.340 8.211 0.129 1
1 832 . 4 1 1 A 76 76 GLY HA2 H 76 4.228 4.359 -0.131 1
1 833 . 4 1 1 A 76 76 GLY HA3 H 76 4.070 4.457 -0.387 1
1 834 . 4 1 1 A 76 76 GLY CA C 76 46.761 46.516 0.245 1
1 835 . 4 1 1 A 76 76 GLY N N 76 108.739 111.617 -2.878 1
1 836 . 4 1 1 A 77 77 THR H H 77 8.607 8.913 -0.306 1
1 837 . 4 1 1 A 77 77 THR HA H 77 4.966 5.289 -0.323 1
1 842 . 4 1 1 A 77 77 THR CA C 77 61.891 61.308 0.583 1
1 843 . 4 1 1 A 77 77 THR CB C 77 70.413 72.319 -1.906 1
1 845 . 4 1 1 A 77 77 THR N N 77 116.423 116.010 0.413 1
1 846 . 4 1 1 A 78 78 ILE H H 78 8.815 8.838 -0.023 1
1 847 . 4 1 1 A 78 78 ILE HA H 78 4.656 4.957 -0.301 1
1 857 . 4 1 1 A 78 78 ILE CA C 78 60.214 59.649 0.565 1
1 858 . 4 1 1 A 78 78 ILE CB C 78 43.110 41.599 1.511 1
1 862 . 4 1 1 A 78 78 ILE N N 78 129.313 123.836 5.477 1
1 863 . 4 1 1 A 79 79 GLY H H 79 8.052 8.967 -0.915 1
1 864 . 4 1 1 A 79 79 GLY HA2 H 79 4.394 4.157 0.237 1
1 865 . 4 1 1 A 79 79 GLY HA3 H 79 3.765 4.167 -0.402 1
1 866 . 4 1 1 A 79 79 GLY CA C 79 44.297 44.286 0.011 1
1 867 . 4 1 1 A 79 79 GLY N N 79 114.522 116.342 -1.820 1
1 868 . 4 1 1 A 80 80 ASP H H 80 7.792 8.619 -0.827 1
1 869 . 4 1 1 A 80 80 ASP HA H 80 4.706 4.578 0.128 1
1 872 . 4 1 1 A 80 80 ASP CA C 80 53.784 54.640 -0.856 1
1 873 . 4 1 1 A 80 80 ASP CB C 80 42.062 40.976 1.086 1
1 874 . 4 1 1 A 80 80 ASP N N 80 113.706 118.586 -4.880 1
1 875 . 4 1 1 A 81 81 ALA H H 81 8.552 8.753 -0.201 1
1 876 . 4 1 1 A 81 81 ALA HA H 81 4.567 4.656 -0.089 1
1 880 . 4 1 1 A 81 81 ALA CA C 81 53.345 52.749 0.596 1
1 881 . 4 1 1 A 81 81 ALA CB C 81 20.325 19.768 0.557 1
1 882 . 4 1 1 A 81 81 ALA N N 81 124.168 126.417 -2.249 1
1 883 . 4 1 1 A 82 82 LEU H H 82 8.734 9.380 -0.646 1
1 884 . 4 1 1 A 82 82 LEU HA H 82 4.338 4.736 -0.398 1
1 893 . 4 1 1 A 82 82 LEU CA C 82 55.320 54.545 0.775 1
1 894 . 4 1 1 A 82 82 LEU CB C 82 41.616 43.728 -2.112 1
1 897 . 4 1 1 A 82 82 LEU N N 82 121.830 120.203 1.627 1
1 898 . 4 1 1 A 83 83 VAL H H 83 7.136 7.688 -0.552 1
1 899 . 4 1 1 A 83 83 VAL HA H 83 4.489 4.885 -0.396 1
1 907 . 4 1 1 A 83 83 VAL CA C 83 58.552 58.673 -0.121 1
1 908 . 4 1 1 A 83 83 VAL CB C 83 35.418 36.176 -0.758 1
1 911 . 4 1 1 A 83 83 VAL N N 83 108.193 114.055 -5.862 1
1 912 . 4 1 1 A 84 84 ASN H H 84 9.073 9.095 -0.022 1
1 913 . 4 1 1 A 84 84 ASN HA H 84 4.872 5.354 -0.482 1
1 918 . 4 1 1 A 84 84 ASN CA C 84 51.417 51.469 -0.052 1
1 919 . 4 1 1 A 84 84 ASN CB C 84 42.127 43.065 -0.938 1
1 920 . 4 1 1 A 84 84 ASN N N 84 119.533 119.553 -0.020 1
1 922 . 4 1 1 A 85 85 ILE H H 85 8.390 8.525 -0.135 1
1 923 . 4 1 1 A 85 85 ILE HA H 85 3.384 3.705 -0.321 1
1 933 . 4 1 1 A 85 85 ILE CA C 85 63.985 64.097 -0.112 1
1 934 . 4 1 1 A 85 85 ILE CB C 85 37.368 37.316 0.052 1
1 938 . 4 1 1 A 85 85 ILE N N 85 119.414 122.443 -3.029 1
1 939 . 4 1 1 A 86 86 GLY H H 86 9.229 8.802 0.427 1
1 940 . 4 1 1 A 86 86 GLY HA2 H 86 4.392 4.065 0.327 1
1 941 . 4 1 1 A 86 86 GLY HA3 H 86 3.412 4.073 -0.661 1
1 942 . 4 1 1 A 86 86 GLY CA C 86 44.946 44.990 -0.044 1
1 943 . 4 1 1 A 86 86 GLY N N 86 117.337 115.540 1.797 1
1 944 . 4 1 1 A 87 87 ASP H H 87 7.956 8.307 -0.351 1
1 945 . 4 1 1 A 87 87 ASP HA H 87 4.599 4.714 -0.115 1
1 948 . 4 1 1 A 87 87 ASP CA C 87 55.055 54.926 0.129 1
1 949 . 4 1 1 A 87 87 ASP CB C 87 40.978 41.188 -0.210 1
1 950 . 4 1 1 A 87 87 ASP N N 87 121.511 122.014 -0.503 1
1 951 . 4 1 1 A 88 88 TYR H H 88 8.545 8.938 -0.393 1
1 952 . 4 1 1 A 88 88 TYR HA H 88 4.718 4.848 -0.130 1
1 959 . 4 1 1 A 88 88 TYR CA C 88 57.954 59.722 -1.768 1
1 960 . 4 1 1 A 88 88 TYR CB C 88 39.411 39.328 0.083 1
1 961 . 4 1 1 A 88 88 TYR N N 88 122.327 126.123 -3.796 1
1 962 . 4 1 1 A 89 89 VAL H H 89 8.937 8.523 0.414 1
1 963 . 4 1 1 A 89 89 VAL HA H 89 4.565 4.671 -0.106 1
1 971 . 4 1 1 A 89 89 VAL CA C 89 58.580 59.074 -0.494 1
1 972 . 4 1 1 A 89 89 VAL CB C 89 34.504 36.085 -1.581 1
1 975 . 4 1 1 A 89 89 VAL N N 89 121.838 121.167 0.671 1
1 976 . 4 1 1 A 90 90 SER H H 90 8.761 8.444 0.317 1
1 977 . 4 1 1 A 90 90 SER HA H 90 4.562 5.014 -0.452 1
1 980 . 4 1 1 A 90 90 SER CA C 90 56.974 56.006 0.968 1
1 981 . 4 1 1 A 90 90 SER CB C 90 65.027 65.579 -0.552 1
1 982 . 4 1 1 A 90 90 SER N N 90 114.806 116.262 -1.456 1
1 983 . 4 1 1 A 91 91 ALA H H 91 8.692 8.856 -0.164 1
1 984 . 4 1 1 A 91 91 ALA HA H 91 3.505 4.058 -0.553 1
1 988 . 4 1 1 A 91 91 ALA CA C 91 53.471 54.718 -1.247 1
1 989 . 4 1 1 A 91 91 ALA CB C 91 18.719 18.387 0.332 1
1 990 . 4 1 1 A 91 91 ALA N N 91 129.873 128.646 1.227 1
1 991 . 4 1 1 A 92 92 SER H H 92 9.156 7.901 1.255 1
1 992 . 4 1 1 A 92 92 SER HA H 92 3.804 4.649 -0.845 1
1 995 . 4 1 1 A 92 92 SER CA C 92 60.827 57.331 3.496 1
1 996 . 4 1 1 A 92 92 SER CB C 92 62.630 64.687 -2.057 1
1 997 . 4 1 1 A 92 92 SER N N 92 113.297 108.521 4.776 1
1 998 . 4 1 1 A 93 93 THR H H 93 7.806 7.537 0.269 1
1 999 . 4 1 1 A 93 93 THR HA H 93 4.387 4.334 0.053 1
1 1004 . 4 1 1 A 93 93 THR CA C 93 64.607 63.541 1.066 1
1 1005 . 4 1 1 A 93 93 THR CB C 93 71.127 70.122 1.005 1
1 1007 . 4 1 1 A 93 93 THR N N 93 113.896 114.915 -1.019 1
1 1008 . 4 1 1 A 94 94 THR H H 94 7.691 7.606 0.085 1
1 1009 . 4 1 1 A 94 94 THR HA H 94 3.899 4.463 -0.564 1
1 1014 . 4 1 1 A 94 94 THR CA C 94 65.258 62.340 2.918 1
1 1015 . 4 1 1 A 94 94 THR CB C 94 70.283 71.213 -0.930 1
1 1017 . 4 1 1 A 94 94 THR N N 94 119.603 110.932 8.671 1
1 1018 . 4 1 1 A 95 95 GLU H H 95 8.389 7.963 0.426 1
1 1019 . 4 1 1 A 95 95 GLU HA H 95 3.793 4.143 -0.350 1
1 1024 . 4 1 1 A 95 95 GLU CA C 95 56.783 57.661 -0.878 1
1 1025 . 4 1 1 A 95 95 GLU CB C 95 29.777 28.473 1.304 1
1 1027 . 4 1 1 A 95 95 GLU N N 95 124.816 118.113 6.703 1
1 1028 . 4 1 1 A 96 96 LEU H H 96 8.735 8.307 0.428 1
1 1029 . 4 1 1 A 96 96 LEU HA H 96 4.249 4.240 0.009 1
1 1039 . 4 1 1 A 96 96 LEU CA C 96 57.071 55.679 1.392 1
1 1040 . 4 1 1 A 96 96 LEU CB C 96 43.517 42.281 1.236 1
1 1044 . 4 1 1 A 96 96 LEU N N 96 120.104 125.419 -5.315 1
1 1045 . 4 1 1 A 97 97 VAL H H 97 7.049 7.292 -0.243 1
1 1046 . 4 1 1 A 97 97 VAL HA H 97 4.334 4.339 -0.005 1
1 1054 . 4 1 1 A 97 97 VAL CA C 97 61.411 60.889 0.522 1
1 1055 . 4 1 1 A 97 97 VAL CB C 97 31.724 34.061 -2.337 1
1 1058 . 4 1 1 A 97 97 VAL N N 97 112.399 114.293 -1.894 1
1 1059 . 4 1 1 A 98 98 ARG H H 98 8.968 8.562 0.406 1
1 1060 . 4 1 1 A 98 98 ARG HA H 98 5.255 5.273 -0.018 1
1 1067 . 4 1 1 A 98 98 ARG CA C 98 55.391 54.660 0.731 1
1 1068 . 4 1 1 A 98 98 ARG CB C 98 32.925 33.077 -0.152 1
1 1071 . 4 1 1 A 98 98 ARG N N 98 127.489 121.764 5.725 1
1 1072 . 4 1 1 A 99 99 VAL H H 99 8.884 8.719 0.165 1
1 1073 . 4 1 1 A 99 99 VAL HA H 99 4.554 4.865 -0.311 1
1 1078 . 4 1 1 A 99 99 VAL CA C 99 60.996 61.151 -0.155 1
1 1079 . 4 1 1 A 99 99 VAL CB C 99 34.358 33.993 0.365 1
1 1081 . 4 1 1 A 99 99 VAL N N 99 122.863 123.273 -0.410 1
1 1082 . 4 1 1 A 100 100 THR H H 100 8.823 9.280 -0.457 1
1 1083 . 4 1 1 A 100 100 THR HA H 100 4.552 4.998 -0.446 1
1 1088 . 4 1 1 A 100 100 THR CA C 100 61.105 61.021 0.084 1
1 1089 . 4 1 1 A 100 100 THR CB C 100 70.859 71.011 -0.152 1
1 1091 . 4 1 1 A 100 100 THR N N 100 121.813 122.357 -0.544 1
1 1092 . 4 1 1 A 101 101 ASN H H 101 8.146 8.626 -0.480 1
1 1093 . 4 1 1 A 101 101 ASN HA H 101 4.505 4.834 -0.329 1
1 1098 . 4 1 1 A 101 101 ASN CA C 101 54.283 53.591 0.692 1
1 1099 . 4 1 1 A 101 101 ASN CB C 101 38.631 39.399 -0.768 1
1 1100 . 4 1 1 A 101 101 ASN N N 101 122.582 128.238 -5.656 1
1 1102 . 4 1 1 A 102 102 LEU H H 102 8.154 8.838 -0.684 1
1 1103 . 4 1 1 A 102 102 LEU HA H 102 4.236 4.147 0.089 1
1 1113 . 4 1 1 A 102 102 LEU CA C 102 55.618 57.278 -1.660 1
1 1114 . 4 1 1 A 102 102 LEU CB C 102 42.842 42.540 0.302 1
1 1118 . 4 1 1 A 102 102 LEU N N 102 122.572 127.554 -4.982 1
1 1119 . 4 1 1 A 103 103 ASN H H 103 8.393 8.108 0.285 1
1 1120 . 4 1 1 A 103 103 ASN HA H 103 4.862 5.126 -0.264 1
1 1125 . 4 1 1 A 103 103 ASN CA C 103 51.431 49.959 1.472 1
1 1126 . 4 1 1 A 103 103 ASN CB C 103 39.172 40.981 -1.809 1
1 1127 . 4 1 1 A 103 103 ASN N N 103 120.155 115.033 5.122 1
1 1129 . 4 1 1 A 104 104 PRO HA H 104 4.224 4.379 -0.155 1
1 1136 . 4 1 1 A 104 104 PRO CA C 104 63.636 63.696 -0.060 1
1 1137 . 4 1 1 A 104 104 PRO CB C 104 32.301 31.690 0.611 1
1 1140 . 4 1 1 A 105 105 ILE H H 105 7.870 7.283 0.587 1
1 1141 . 4 1 1 A 105 105 ILE HA H 105 3.934 4.330 -0.396 1
1 1151 . 4 1 1 A 105 105 ILE CA C 105 61.566 58.809 2.757 1
1 1152 . 4 1 1 A 105 105 ILE CB C 105 38.723 41.103 -2.380 1
1 1156 . 4 1 1 A 105 105 ILE N N 105 119.425 115.278 4.147 1
1 1157 . 4 1 1 A 106 106 TYR H H 106 7.945 8.341 -0.396 1
1 1158 . 4 1 1 A 106 106 TYR HA H 106 4.529 4.115 0.414 1
1 1165 . 4 1 1 A 106 106 TYR CA C 106 57.548 60.808 -3.260 1
1 1166 . 4 1 1 A 106 106 TYR CB C 106 39.048 36.361 2.687 1
1 1167 . 4 1 1 A 106 106 TYR N N 106 123.138 119.078 4.060 1
1 1168 . 4 1 1 A 107 107 ALA H H 107 8.113 7.918 0.195 1
1 1169 . 4 1 1 A 107 107 ALA HA H 107 4.213 4.294 -0.081 1
1 1173 . 4 1 1 A 107 107 ALA CA C 107 52.847 52.925 -0.078 1
1 1174 . 4 1 1 A 107 107 ALA CB C 107 19.450 19.912 -0.462 1
1 1175 . 4 1 1 A 107 107 ALA N N 107 125.476 124.156 1.320 1
1 1176 . 4 1 1 A 108 108 ASP H H 108 8.140 8.511 -0.371 1
1 1177 . 4 1 1 A 108 108 ASP HA H 108 4.502 5.165 -0.663 1
1 1180 . 4 1 1 A 108 108 ASP CA C 108 54.515 53.096 1.419 1
1 1181 . 4 1 1 A 108 108 ASP CB C 108 41.436 42.683 -1.247 1
1 1182 . 4 1 1 A 108 108 ASP N N 108 119.275 122.542 -3.267 1
1 1183 . 4 1 1 A 109 109 GLY H H 109 8.304 8.510 -0.206 1
1 1184 . 4 1 1 A 109 109 GLY HA2 H 109 3.930 4.308 -0.378 1
1 1185 . 4 1 1 A 109 109 GLY HA3 H 109 3.844 4.323 -0.479 1
1 1186 . 4 1 1 A 109 109 GLY CA C 109 45.809 45.518 0.291 1
1 1187 . 4 1 1 A 109 109 GLY N N 109 109.463 113.063 -3.600 1
1 1188 . 4 1 1 A 110 110 SER H H 110 8.169 8.772 -0.603 1
1 1189 . 4 1 1 A 110 110 SER HA H 110 4.263 4.302 -0.039 1
1 1190 . 4 1 1 A 110 110 SER CA C 110 59.017 61.009 -1.992 1
1 1191 . 4 1 1 A 110 110 SER N N 110 115.630 115.300 0.330 1
1 1192 . 4 1 1 A 111 111 HIS HA H 111 4.522 4.264 0.258 1
1 1195 . 4 1 1 A 111 111 HIS CA C 111 56.269 56.864 -0.595 1
1 1196 . 4 1 1 A 111 111 HIS CB C 111 30.558 28.431 2.127 1
1 1197 . 4 1 1 A 112 112 HIS HA H 112 4.341 4.582 -0.241 1
1 1200 . 4 1 1 A 112 112 HIS CA C 112 57.660 55.949 1.711 1
1 2 . 5 1 1 A 2 2 VAL H H 2 8.608 8.879 -0.271 1
1 3 . 5 1 1 A 2 2 VAL HA H 2 4.472 4.862 -0.390 1
1 11 . 5 1 1 A 2 2 VAL CA C 2 61.161 60.619 0.542 1
1 12 . 5 1 1 A 2 2 VAL CB C 2 35.825 35.766 0.059 1
1 15 . 5 1 1 A 2 2 VAL N N 2 117.995 125.327 -7.332 1
1 16 . 5 1 1 A 3 3 ILE H H 3 8.424 8.834 -0.410 1
1 17 . 5 1 1 A 3 3 ILE HA H 3 4.489 4.618 -0.129 1
1 27 . 5 1 1 A 3 3 ILE CA C 3 60.273 60.458 -0.185 1
1 28 . 5 1 1 A 3 3 ILE CB C 3 38.595 38.402 0.193 1
1 32 . 5 1 1 A 3 3 ILE N N 3 125.647 127.167 -1.520 1
1 33 . 5 1 1 A 4 4 ILE H H 4 8.531 8.872 -0.341 1
1 34 . 5 1 1 A 4 4 ILE HA H 4 3.990 4.196 -0.206 1
1 44 . 5 1 1 A 4 4 ILE CA C 4 61.656 61.617 0.039 1
1 45 . 5 1 1 A 4 4 ILE CB C 4 38.183 38.523 -0.340 1
1 49 . 5 1 1 A 4 4 ILE N N 4 127.472 130.241 -2.769 1
1 50 . 5 1 1 A 5 5 LYS H H 5 8.277 8.824 -0.547 1
1 51 . 5 1 1 A 5 5 LYS HA H 5 5.164 4.685 0.479 1
1 60 . 5 1 1 A 5 5 LYS CA C 5 53.440 52.919 0.521 1
1 61 . 5 1 1 A 5 5 LYS CB C 5 33.808 35.536 -1.728 1
1 65 . 5 1 1 A 5 5 LYS N N 5 126.697 126.696 0.001 1
1 66 . 5 1 1 A 6 6 PRO HA H 6 4.370 4.673 -0.303 1
1 73 . 5 1 1 A 6 6 PRO CA C 6 62.493 62.754 -0.261 1
1 74 . 5 1 1 A 6 6 PRO CB C 6 32.091 32.959 -0.868 1
1 77 . 5 1 1 A 7 7 GLN H H 7 9.334 8.290 1.044 1
1 78 . 5 1 1 A 7 7 GLN HA H 7 4.348 4.409 -0.061 1
1 85 . 5 1 1 A 7 7 GLN CA C 7 56.384 55.335 1.049 1
1 86 . 5 1 1 A 7 7 GLN CB C 7 28.934 28.980 -0.046 1
1 88 . 5 1 1 A 7 7 GLN N N 7 119.944 116.920 3.024 1
1 90 . 5 1 1 A 8 8 VAL H H 8 7.021 7.359 -0.338 1
1 91 . 5 1 1 A 8 8 VAL HA H 8 4.476 4.878 -0.402 1
1 99 . 5 1 1 A 8 8 VAL CA C 8 58.999 58.835 0.164 1
1 100 . 5 1 1 A 8 8 VAL CB C 8 35.347 35.559 -0.212 1
1 103 . 5 1 1 A 8 8 VAL N N 8 111.118 116.045 -4.927 1
1 104 . 5 1 1 A 9 9 SER H H 9 8.155 8.740 -0.585 1
1 105 . 5 1 1 A 9 9 SER HA H 9 4.945 5.035 -0.090 1
1 108 . 5 1 1 A 9 9 SER CA C 9 56.704 57.175 -0.471 1
1 109 . 5 1 1 A 9 9 SER CB C 9 64.645 64.869 -0.224 1
1 110 . 5 1 1 A 9 9 SER N N 9 114.983 117.445 -2.462 1
1 111 . 5 1 1 A 10 10 GLY H H 10 7.981 8.390 -0.409 1
1 112 . 5 1 1 A 10 10 GLY HA2 H 10 4.416 4.280 0.136 1
1 113 . 5 1 1 A 10 10 GLY HA3 H 10 3.643 4.353 -0.710 1
1 114 . 5 1 1 A 10 10 GLY CA C 10 45.433 45.816 -0.383 1
1 115 . 5 1 1 A 10 10 GLY N N 10 108.602 112.279 -3.677 1
1 116 . 5 1 1 A 11 11 VAL H H 11 8.018 8.665 -0.647 1
1 117 . 5 1 1 A 11 11 VAL HA H 11 4.740 5.320 -0.580 1
1 125 . 5 1 1 A 11 11 VAL CA C 11 60.580 59.134 1.446 1
1 126 . 5 1 1 A 11 11 VAL CB C 11 35.124 35.714 -0.590 1
1 129 . 5 1 1 A 11 11 VAL N N 11 118.346 117.704 0.642 1
1 130 . 5 1 1 A 12 12 ILE H H 12 8.452 8.959 -0.507 1
1 131 . 5 1 1 A 12 12 ILE HA H 12 4.042 4.311 -0.269 1
1 141 . 5 1 1 A 12 12 ILE CA C 12 60.400 62.309 -1.909 1
1 142 . 5 1 1 A 12 12 ILE CB C 12 35.725 38.185 -2.460 1
1 146 . 5 1 1 A 12 12 ILE N N 12 125.267 125.107 0.160 1
1 147 . 5 1 1 A 13 13 VAL H H 13 8.900 9.362 -0.462 1
1 148 . 5 1 1 A 13 13 VAL HA H 13 4.492 4.313 0.179 1
1 156 . 5 1 1 A 13 13 VAL CA C 13 62.168 63.321 -1.153 1
1 157 . 5 1 1 A 13 13 VAL CB C 13 33.406 33.727 -0.321 1
1 160 . 5 1 1 A 13 13 VAL N N 13 124.539 125.473 -0.934 1
1 161 . 5 1 1 A 14 14 ASN H H 14 7.649 7.434 0.215 1
1 162 . 5 1 1 A 14 14 ASN HA H 14 4.805 5.211 -0.406 1
1 167 . 5 1 1 A 14 14 ASN CA C 14 52.950 52.301 0.649 1
1 168 . 5 1 1 A 14 14 ASN CB C 14 42.149 41.971 0.178 1
1 169 . 5 1 1 A 14 14 ASN N N 14 115.008 116.776 -1.768 1
1 171 . 5 1 1 A 15 15 LYS H H 15 8.393 8.561 -0.168 1
1 172 . 5 1 1 A 15 15 LYS HA H 15 4.640 4.670 -0.030 1
1 179 . 5 1 1 A 15 15 LYS CA C 15 55.987 54.906 1.081 1
1 180 . 5 1 1 A 15 15 LYS CB C 15 35.412 33.340 2.072 1
1 183 . 5 1 1 A 15 15 LYS N N 15 123.820 121.970 1.850 1
1 184 . 5 1 1 A 16 16 LEU H H 16 8.015 8.376 -0.361 1
1 185 . 5 1 1 A 16 16 LEU HA H 16 4.983 4.033 0.950 1
1 195 . 5 1 1 A 16 16 LEU CA C 16 55.202 57.523 -2.321 1
1 196 . 5 1 1 A 16 16 LEU CB C 16 41.471 42.362 -0.891 1
1 200 . 5 1 1 A 16 16 LEU N N 16 126.200 126.266 -0.066 1
1 201 . 5 1 1 A 17 17 PHE H H 17 6.522 7.205 -0.683 1
1 202 . 5 1 1 A 17 17 PHE HA H 17 4.858 4.470 0.388 1
1 210 . 5 1 1 A 17 17 PHE CA C 17 55.675 55.774 -0.099 1
1 211 . 5 1 1 A 17 17 PHE CB C 17 41.329 40.759 0.570 1
1 212 . 5 1 1 A 17 17 PHE N N 17 113.650 116.136 -2.486 1
1 213 . 5 1 1 A 18 18 LYS H H 18 8.648 8.844 -0.196 1
1 214 . 5 1 1 A 18 18 LYS HA H 18 4.325 4.419 -0.094 1
1 223 . 5 1 1 A 18 18 LYS CA C 18 54.442 53.929 0.513 1
1 224 . 5 1 1 A 18 18 LYS CB C 18 35.233 35.760 -0.527 1
1 228 . 5 1 1 A 18 18 LYS N N 18 120.586 118.151 2.435 1
1 229 . 5 1 1 A 19 19 ALA H H 19 8.396 8.373 0.023 1
1 230 . 5 1 1 A 19 19 ALA HA H 19 3.956 4.243 -0.287 1
1 234 . 5 1 1 A 19 19 ALA CA C 19 54.151 53.858 0.293 1
1 235 . 5 1 1 A 19 19 ALA CB C 19 18.681 18.307 0.374 1
1 236 . 5 1 1 A 19 19 ALA N N 19 123.901 126.699 -2.798 1
1 237 . 5 1 1 A 20 20 GLY H H 20 8.806 8.778 0.028 1
1 238 . 5 1 1 A 20 20 GLY HA2 H 20 4.299 3.984 0.315 1
1 239 . 5 1 1 A 20 20 GLY HA3 H 20 3.523 4.001 -0.478 1
1 240 . 5 1 1 A 20 20 GLY CA C 20 45.190 45.002 0.188 1
1 241 . 5 1 1 A 20 20 GLY N N 20 112.460 111.520 0.940 1
1 242 . 5 1 1 A 21 21 ASP H H 21 7.923 7.834 0.089 1
1 243 . 5 1 1 A 21 21 ASP HA H 21 4.489 4.828 -0.339 1
1 246 . 5 1 1 A 21 21 ASP CA C 21 55.477 52.947 2.530 1
1 247 . 5 1 1 A 21 21 ASP CB C 21 41.593 42.677 -1.084 1
1 248 . 5 1 1 A 21 21 ASP N N 21 121.531 121.902 -0.371 1
1 249 . 5 1 1 A 22 22 LYS H H 22 8.292 8.510 -0.218 1
1 250 . 5 1 1 A 22 22 LYS HA H 22 4.861 4.658 0.203 1
1 259 . 5 1 1 A 22 22 LYS CA C 22 55.789 55.992 -0.203 1
1 260 . 5 1 1 A 22 22 LYS CB C 22 31.948 34.354 -2.406 1
1 264 . 5 1 1 A 22 22 LYS N N 22 120.223 120.701 -0.478 1
1 265 . 5 1 1 A 23 23 VAL H H 23 8.929 8.947 -0.018 1
1 266 . 5 1 1 A 23 23 VAL HA H 23 4.828 5.056 -0.228 1
1 274 . 5 1 1 A 23 23 VAL CA C 23 58.619 59.225 -0.606 1
1 275 . 5 1 1 A 23 23 VAL CB C 23 34.776 35.435 -0.659 1
1 278 . 5 1 1 A 23 23 VAL N N 23 117.770 118.546 -0.776 1
1 279 . 5 1 1 A 24 24 LYS H H 24 7.952 8.288 -0.336 1
1 280 . 5 1 1 A 24 24 LYS HA H 24 4.828 4.445 0.383 1
1 289 . 5 1 1 A 24 24 LYS CA C 24 53.316 55.920 -2.604 1
1 290 . 5 1 1 A 24 24 LYS CB C 24 35.370 33.311 2.059 1
1 294 . 5 1 1 A 24 24 LYS N N 24 121.890 124.810 -2.920 1
1 295 . 5 1 1 A 25 25 LYS H H 25 8.903 8.652 0.251 1
1 296 . 5 1 1 A 25 25 LYS HA H 25 3.152 4.056 -0.904 1
1 304 . 5 1 1 A 25 25 LYS CA C 25 58.780 58.172 0.608 1
1 305 . 5 1 1 A 25 25 LYS CB C 25 32.788 31.704 1.084 1
1 309 . 5 1 1 A 25 25 LYS N N 25 121.717 125.010 -3.293 1
1 310 . 5 1 1 A 26 26 GLY H H 26 8.887 9.103 -0.216 1
1 311 . 5 1 1 A 26 26 GLY HA2 H 26 4.277 3.904 0.373 1
1 312 . 5 1 1 A 26 26 GLY HA3 H 26 3.462 3.930 -0.468 1
1 313 . 5 1 1 A 26 26 GLY CA C 26 45.387 45.150 0.237 1
1 314 . 5 1 1 A 26 26 GLY N N 26 115.271 113.197 2.074 1
1 315 . 5 1 1 A 27 27 GLN H H 27 8.423 7.996 0.427 1
1 316 . 5 1 1 A 27 27 GLN HA H 27 4.134 4.340 -0.206 1
1 323 . 5 1 1 A 27 27 GLN CA C 27 56.461 56.196 0.265 1
1 324 . 5 1 1 A 27 27 GLN CB C 27 30.655 29.017 1.638 1
1 326 . 5 1 1 A 27 27 GLN N N 27 123.160 120.141 3.019 1
1 328 . 5 1 1 A 28 28 THR H H 28 9.094 8.798 0.296 1
1 329 . 5 1 1 A 28 28 THR HA H 28 3.884 4.163 -0.279 1
1 334 . 5 1 1 A 28 28 THR CA C 28 66.017 64.132 1.885 1
1 335 . 5 1 1 A 28 28 THR CB C 28 68.577 69.009 -0.432 1
1 337 . 5 1 1 A 28 28 THR N N 28 124.723 119.019 5.704 1
1 338 . 5 1 1 A 29 29 LEU H H 29 9.499 9.382 0.117 1
1 339 . 5 1 1 A 29 29 LEU HA H 29 4.373 4.407 -0.034 1
1 349 . 5 1 1 A 29 29 LEU CA C 29 55.960 55.741 0.219 1
1 350 . 5 1 1 A 29 29 LEU CB C 29 44.601 43.194 1.407 1
1 354 . 5 1 1 A 29 29 LEU N N 29 125.894 127.131 -1.237 1
1 355 . 5 1 1 A 30 30 PHE H H 30 7.572 7.628 -0.056 1
1 356 . 5 1 1 A 30 30 PHE HA H 30 5.360 5.419 -0.059 1
1 364 . 5 1 1 A 30 30 PHE CA C 30 55.655 56.134 -0.479 1
1 365 . 5 1 1 A 30 30 PHE CB C 30 45.053 43.214 1.839 1
1 366 . 5 1 1 A 30 30 PHE N N 30 111.166 114.733 -3.567 1
1 367 . 5 1 1 A 31 31 ILE H H 31 7.850 8.438 -0.588 1
1 368 . 5 1 1 A 31 31 ILE HA H 31 4.808 5.010 -0.202 1
1 378 . 5 1 1 A 31 31 ILE CA C 31 60.159 59.273 0.886 1
1 379 . 5 1 1 A 31 31 ILE CB C 31 39.584 41.662 -2.078 1
1 383 . 5 1 1 A 31 31 ILE N N 31 119.419 120.004 -0.585 1
1 384 . 5 1 1 A 32 32 ILE H H 32 9.095 9.178 -0.083 1
1 385 . 5 1 1 A 32 32 ILE HA H 32 4.830 5.313 -0.483 1
1 395 . 5 1 1 A 32 32 ILE CA C 32 59.205 59.746 -0.541 1
1 396 . 5 1 1 A 32 32 ILE CB C 32 42.206 41.721 0.485 1
1 400 . 5 1 1 A 32 32 ILE N N 32 127.930 126.462 1.468 1
1 401 . 5 1 1 A 33 33 GLU H H 33 9.089 9.347 -0.258 1
1 402 . 5 1 1 A 33 33 GLU HA H 33 4.674 5.115 -0.441 1
1 407 . 5 1 1 A 33 33 GLU CA C 33 55.047 54.722 0.325 1
1 408 . 5 1 1 A 33 33 GLU CB C 33 31.851 32.519 -0.668 1
1 410 . 5 1 1 A 33 33 GLU N N 33 128.159 126.327 1.832 1
1 411 . 5 1 1 A 34 34 GLN H H 34 8.705 8.935 -0.230 1
1 412 . 5 1 1 A 34 34 GLN HA H 34 4.362 4.344 0.018 1
1 419 . 5 1 1 A 34 34 GLN CA C 34 56.933 55.733 1.200 1
1 420 . 5 1 1 A 34 34 GLN CB C 34 30.273 28.719 1.554 1
1 422 . 5 1 1 A 34 34 GLN N N 34 128.144 126.236 1.908 1
1 424 . 5 1 1 A 35 35 ASP H H 35 8.488 8.105 0.383 1
1 425 . 5 1 1 A 35 35 ASP HA H 35 4.608 4.347 0.261 1
1 428 . 5 1 1 A 35 35 ASP CA C 35 54.124 54.948 -0.824 1
1 429 . 5 1 1 A 35 35 ASP CB C 35 41.702 39.192 2.510 1
1 430 . 5 1 1 A 35 35 ASP N N 35 122.441 118.875 3.566 1
1 431 . 5 1 1 A 36 36 GLN H H 36 8.604 8.237 0.367 1
1 432 . 5 1 1 A 36 36 GLN HA H 36 4.021 4.075 -0.054 1
1 439 . 5 1 1 A 36 36 GLN CA C 36 57.273 57.461 -0.188 1
1 440 . 5 1 1 A 36 36 GLN CB C 36 29.266 27.699 1.567 1
1 442 . 5 1 1 A 36 36 GLN N N 36 123.042 124.547 -1.505 1
1 444 . 5 1 1 A 37 37 ALA H H 37 8.313 7.968 0.345 1
1 445 . 5 1 1 A 37 37 ALA HA H 37 4.212 4.084 0.128 1
1 449 . 5 1 1 A 37 37 ALA CA C 37 53.708 55.031 -1.323 1
1 450 . 5 1 1 A 37 37 ALA CB C 37 18.949 18.446 0.503 1
1 451 . 5 1 1 A 37 37 ALA N N 37 122.748 125.072 -2.324 1
1 452 . 5 1 1 A 38 38 SER H H 38 7.949 7.902 0.047 1
1 453 . 5 1 1 A 38 38 SER HA H 38 4.285 4.489 -0.204 1
1 456 . 5 1 1 A 38 38 SER CA C 38 59.468 60.280 -0.812 1
1 457 . 5 1 1 A 38 38 SER CB C 38 63.874 63.443 0.431 1
1 458 . 5 1 1 A 38 38 SER N N 38 113.828 114.430 -0.602 1
1 459 . 5 1 1 A 39 39 LYS H H 39 8.107 7.965 0.142 1
1 460 . 5 1 1 A 39 39 LYS HA H 39 4.124 3.991 0.133 1
1 469 . 5 1 1 A 39 39 LYS CA C 39 57.821 59.788 -1.967 1
1 470 . 5 1 1 A 39 39 LYS CB C 39 32.978 32.422 0.556 1
1 474 . 5 1 1 A 39 39 LYS N N 39 122.900 122.622 0.278 1
1 475 . 5 1 1 A 40 40 ASP H H 40 8.173 7.956 0.217 1
1 476 . 5 1 1 A 40 40 ASP HA H 40 4.477 4.415 0.062 1
1 479 . 5 1 1 A 40 40 ASP CA C 40 55.164 57.282 -2.118 1
1 480 . 5 1 1 A 40 40 ASP CB C 40 41.359 41.072 0.287 1
1 481 . 5 1 1 A 40 40 ASP N N 40 119.696 119.438 0.258 1
1 482 . 5 1 1 A 41 41 PHE H H 41 8.022 8.184 -0.162 1
1 483 . 5 1 1 A 41 41 PHE HA H 41 4.376 4.132 0.244 1
1 488 . 5 1 1 A 41 41 PHE CA C 41 59.354 61.114 -1.760 1
1 489 . 5 1 1 A 41 41 PHE CB C 41 39.414 39.031 0.383 1
1 490 . 5 1 1 A 41 41 PHE N N 41 121.310 120.123 1.187 1
1 491 . 5 1 1 A 42 42 ASN H H 42 8.247 8.935 -0.688 1
1 492 . 5 1 1 A 42 42 ASN HA H 42 4.483 4.393 0.090 1
1 497 . 5 1 1 A 42 42 ASN CA C 42 54.383 56.673 -2.290 1
1 498 . 5 1 1 A 42 42 ASN CB C 42 38.853 39.133 -0.280 1
1 499 . 5 1 1 A 42 42 ASN N N 42 119.282 117.309 1.973 1
1 501 . 5 1 1 A 43 43 ARG H H 43 8.048 7.743 0.305 1
1 502 . 5 1 1 A 43 43 ARG HA H 43 4.130 4.109 0.021 1
1 509 . 5 1 1 A 43 43 ARG CA C 43 57.429 59.104 -1.675 1
1 510 . 5 1 1 A 43 43 ARG CB C 43 30.503 29.835 0.668 1
1 513 . 5 1 1 A 43 43 ARG N N 43 121.050 118.758 2.292 1
1 514 . 5 1 1 A 44 44 SER H H 44 8.111 8.006 0.105 1
1 515 . 5 1 1 A 44 44 SER HA H 44 4.262 4.160 0.102 1
1 518 . 5 1 1 A 44 44 SER CA C 44 59.660 61.880 -2.220 1
1 519 . 5 1 1 A 44 44 SER CB C 44 63.810 62.869 0.941 1
1 520 . 5 1 1 A 44 44 SER N N 44 115.587 117.029 -1.442 1
1 521 . 5 1 1 A 45 45 LYS H H 45 7.968 7.690 0.278 1
1 522 . 5 1 1 A 45 45 LYS HA H 45 4.132 4.152 -0.020 1
1 526 . 5 1 1 A 45 45 LYS CA C 45 57.193 58.345 -1.152 1
1 527 . 5 1 1 A 45 45 LYS CB C 45 32.534 32.256 0.278 1
1 529 . 5 1 1 A 45 45 LYS N N 45 122.205 119.985 2.220 1
1 530 . 5 1 1 A 46 46 ALA H H 46 7.936 7.519 0.417 1
1 531 . 5 1 1 A 46 46 ALA HA H 46 4.179 4.418 -0.239 1
1 535 . 5 1 1 A 46 46 ALA CA C 46 53.196 51.736 1.460 1
1 536 . 5 1 1 A 46 46 ALA CB C 46 19.279 17.377 1.902 1
1 537 . 5 1 1 A 46 46 ALA N N 46 123.430 121.046 2.384 1
1 538 . 5 1 1 A 47 47 LEU H H 47 7.873 8.127 -0.254 1
1 539 . 5 1 1 A 47 47 LEU HA H 47 4.147 4.614 -0.467 1
1 549 . 5 1 1 A 47 47 LEU CA C 47 55.854 52.999 2.855 1
1 550 . 5 1 1 A 47 47 LEU CB C 47 42.536 44.933 -2.397 1
1 554 . 5 1 1 A 47 47 LEU N N 47 119.760 121.301 -1.541 1
1 555 . 5 1 1 A 48 48 PHE H H 48 7.960 8.471 -0.511 1
1 556 . 5 1 1 A 48 48 PHE HA H 48 4.540 4.206 0.334 1
1 561 . 5 1 1 A 48 48 PHE CA C 48 58.150 60.625 -2.475 1
1 562 . 5 1 1 A 48 48 PHE CB C 48 39.499 38.005 1.494 1
1 563 . 5 1 1 A 48 48 PHE N N 48 119.481 119.014 0.467 1
1 564 . 5 1 1 A 49 49 SER H H 49 8.011 8.731 -0.720 1
1 565 . 5 1 1 A 49 49 SER HA H 49 4.333 4.223 0.110 1
1 566 . 5 1 1 A 49 49 SER CA C 49 58.675 61.036 -2.361 1
1 567 . 5 1 1 A 49 49 SER N N 49 116.263 114.180 2.083 1
1 568 . 5 1 1 A 50 50 GLN H H 50 8.252 7.894 0.358 1
1 569 . 5 1 1 A 50 50 GLN HA H 50 4.250 4.402 -0.152 1
1 576 . 5 1 1 A 50 50 GLN CA C 50 56.570 57.156 -0.586 1
1 577 . 5 1 1 A 50 50 GLN CB C 50 29.372 29.547 -0.175 1
1 579 . 5 1 1 A 50 50 GLN N N 50 121.890 119.895 1.995 1
1 581 . 5 1 1 A 51 51 SER H H 51 8.143 8.405 -0.262 1
1 582 . 5 1 1 A 51 51 SER HA H 51 4.332 4.264 0.068 1
1 583 . 5 1 1 A 51 51 SER CA C 51 58.848 61.224 -2.376 1
1 584 . 5 1 1 A 51 51 SER N N 51 115.677 115.390 0.287 1
1 585 . 5 1 1 A 52 52 ALA H H 52 8.168 7.309 0.859 1
1 586 . 5 1 1 A 52 52 ALA HA H 52 4.261 4.251 0.010 1
1 590 . 5 1 1 A 52 52 ALA CA C 52 53.119 52.617 0.502 1
1 591 . 5 1 1 A 52 52 ALA CB C 52 19.175 19.302 -0.127 1
1 592 . 5 1 1 A 52 52 ALA N N 52 125.354 121.829 3.525 1
1 593 . 5 1 1 A 53 53 ILE H H 53 7.858 7.893 -0.035 1
1 594 . 5 1 1 A 53 53 ILE HA H 53 4.094 4.326 -0.232 1
1 604 . 5 1 1 A 53 53 ILE CA C 53 61.666 62.258 -0.592 1
1 605 . 5 1 1 A 53 53 ILE CB C 53 39.015 36.736 2.279 1
1 609 . 5 1 1 A 53 53 ILE N N 53 118.218 116.087 2.131 1
1 610 . 5 1 1 A 54 54 SER H H 54 8.152 9.136 -0.984 1
1 611 . 5 1 1 A 54 54 SER HA H 54 4.348 4.941 -0.593 1
1 614 . 5 1 1 A 54 54 SER CA C 54 58.678 57.345 1.333 1
1 615 . 5 1 1 A 54 54 SER CB C 54 64.002 66.490 -2.488 1
1 616 . 5 1 1 A 54 54 SER N N 54 118.590 123.119 -4.529 1
1 617 . 5 1 1 A 55 55 GLN H H 55 8.298 8.468 -0.170 1
1 618 . 5 1 1 A 55 55 GLN HA H 55 4.198 2.702 1.496 1
1 625 . 5 1 1 A 55 55 GLN CA C 55 56.690 57.451 -0.761 1
1 626 . 5 1 1 A 55 55 GLN CB C 55 29.393 28.129 1.264 1
1 628 . 5 1 1 A 55 55 GLN N N 55 122.154 123.922 -1.768 1
1 630 . 5 1 1 A 56 56 LYS H H 56 8.153 7.704 0.449 1
1 631 . 5 1 1 A 56 56 LYS HA H 56 4.161 4.635 -0.474 1
1 636 . 5 1 1 A 56 56 LYS CA C 56 57.174 56.805 0.369 1
1 637 . 5 1 1 A 56 56 LYS CB C 56 32.991 33.888 -0.897 1
1 639 . 5 1 1 A 56 56 LYS N N 56 121.127 115.751 5.376 1
1 640 . 5 1 1 A 57 57 GLU H H 57 8.201 8.029 0.172 1
1 641 . 5 1 1 A 57 57 GLU HA H 57 4.151 4.530 -0.379 1
1 646 . 5 1 1 A 57 57 GLU CA C 57 57.273 57.412 -0.139 1
1 647 . 5 1 1 A 57 57 GLU CB C 57 30.262 30.927 -0.665 1
1 649 . 5 1 1 A 57 57 GLU N N 57 120.626 118.558 2.068 1
1 650 . 5 1 1 A 58 58 TYR H H 58 8.057 8.558 -0.501 1
1 651 . 5 1 1 A 58 58 TYR HA H 58 4.375 4.462 -0.087 1
1 658 . 5 1 1 A 58 58 TYR CA C 58 58.721 59.133 -0.412 1
1 659 . 5 1 1 A 58 58 TYR CB C 58 39.096 37.222 1.874 1
1 660 . 5 1 1 A 58 58 TYR N N 58 120.841 119.096 1.745 1
1 661 . 5 1 1 A 59 59 ASP H H 59 8.144 8.839 -0.695 1
1 662 . 5 1 1 A 59 59 ASP HA H 59 4.493 4.156 0.337 1
1 665 . 5 1 1 A 59 59 ASP CA C 59 54.505 56.635 -2.130 1
1 666 . 5 1 1 A 59 59 ASP CB C 59 41.233 39.451 1.782 1
1 667 . 5 1 1 A 59 59 ASP N N 59 122.549 121.907 0.642 1
1 668 . 5 1 1 A 60 60 SER H H 60 8.245 7.697 0.548 1
1 669 . 5 1 1 A 60 60 SER HA H 60 4.255 4.235 0.020 1
1 670 . 5 1 1 A 60 60 SER CA C 60 59.650 61.257 -1.607 1
1 671 . 5 1 1 A 60 60 SER N N 60 117.646 115.176 2.470 1
1 672 . 5 1 1 A 61 61 SER H H 61 8.329 7.961 0.368 1
1 673 . 5 1 1 A 61 61 SER HA H 61 4.307 4.508 -0.201 1
1 676 . 5 1 1 A 61 61 SER CA C 61 59.882 59.881 0.001 1
1 677 . 5 1 1 A 61 61 SER CB C 61 63.888 64.090 -0.202 1
1 678 . 5 1 1 A 61 61 SER N N 61 118.138 116.947 1.191 1
1 679 . 5 1 1 A 62 62 LEU H H 62 7.753 7.034 0.719 1
1 680 . 5 1 1 A 62 62 LEU HA H 62 4.227 4.190 0.037 1
1 690 . 5 1 1 A 62 62 LEU CA C 62 55.640 56.471 -0.831 1
1 691 . 5 1 1 A 62 62 LEU CB C 62 42.389 42.726 -0.337 1
1 695 . 5 1 1 A 62 62 LEU N N 62 122.616 118.831 3.785 1
1 696 . 5 1 1 A 63 63 ALA H H 63 7.908 7.122 0.786 1
1 697 . 5 1 1 A 63 63 ALA HA H 63 4.266 4.709 -0.443 1
1 701 . 5 1 1 A 63 63 ALA CA C 63 53.071 51.362 1.709 1
1 702 . 5 1 1 A 63 63 ALA CB C 63 19.373 22.920 -3.547 1
1 703 . 5 1 1 A 63 63 ALA N N 63 123.326 118.075 5.251 1
1 704 . 5 1 1 A 64 64 THR H H 64 7.855 8.662 -0.807 1
1 705 . 5 1 1 A 64 64 THR HA H 64 4.212 4.747 -0.535 1
1 710 . 5 1 1 A 64 64 THR CA C 64 61.955 61.001 0.954 1
1 711 . 5 1 1 A 64 64 THR CB C 64 69.997 71.764 -1.767 1
1 713 . 5 1 1 A 64 64 THR N N 64 112.019 112.095 -0.076 1
1 714 . 5 1 1 A 65 65 LEU H H 65 7.970 9.256 -1.286 1
1 715 . 5 1 1 A 65 65 LEU HA H 65 4.290 3.884 0.406 1
1 725 . 5 1 1 A 65 65 LEU CA C 65 55.509 56.187 -0.678 1
1 726 . 5 1 1 A 65 65 LEU CB C 65 42.619 40.221 2.398 1
1 730 . 5 1 1 A 65 65 LEU N N 65 123.564 127.781 -4.217 1
1 731 . 5 1 1 A 66 66 ASP H H 66 8.271 8.634 -0.363 1
1 732 . 5 1 1 A 66 66 ASP HA H 66 4.538 4.289 0.249 1
1 735 . 5 1 1 A 66 66 ASP CA C 66 54.906 54.885 0.021 1
1 736 . 5 1 1 A 66 66 ASP CB C 66 41.384 38.538 2.846 1
1 737 . 5 1 1 A 66 66 ASP N N 66 120.385 116.524 3.861 1
1 738 . 5 1 1 A 67 67 HIS H H 67 8.020 7.875 0.145 1
1 739 . 5 1 1 A 67 67 HIS HA H 67 5.236 5.084 0.152 1
1 744 . 5 1 1 A 67 67 HIS CA C 67 55.411 56.460 -1.049 1
1 745 . 5 1 1 A 67 67 HIS CB C 67 32.135 31.476 0.659 1
1 746 . 5 1 1 A 67 67 HIS N N 67 119.214 118.290 0.924 1
1 747 . 5 1 1 A 68 68 THR H H 68 8.903 8.752 0.151 1
1 748 . 5 1 1 A 68 68 THR HA H 68 4.474 4.981 -0.507 1
1 753 . 5 1 1 A 68 68 THR CA C 68 62.536 60.825 1.711 1
1 754 . 5 1 1 A 68 68 THR CB C 68 71.267 72.406 -1.139 1
1 756 . 5 1 1 A 68 68 THR N N 68 117.138 115.171 1.967 1
1 757 . 5 1 1 A 69 69 GLU H H 69 8.630 8.832 -0.202 1
1 758 . 5 1 1 A 69 69 GLU HA H 69 4.480 5.248 -0.768 1
1 763 . 5 1 1 A 69 69 GLU CA C 69 56.016 54.640 1.376 1
1 764 . 5 1 1 A 69 69 GLU CB C 69 31.824 33.439 -1.615 1
1 766 . 5 1 1 A 69 69 GLU N N 69 124.226 122.387 1.839 1
1 767 . 5 1 1 A 70 70 ILE H H 70 8.589 9.158 -0.569 1
1 768 . 5 1 1 A 70 70 ILE HA H 70 4.405 5.019 -0.614 1
1 778 . 5 1 1 A 70 70 ILE CA C 70 59.367 59.725 -0.358 1
1 779 . 5 1 1 A 70 70 ILE CB C 70 37.492 40.488 -2.996 1
1 783 . 5 1 1 A 70 70 ILE N N 70 123.526 122.944 0.582 1
1 784 . 5 1 1 A 71 71 LYS H H 71 8.910 8.678 0.232 1
1 785 . 5 1 1 A 71 71 LYS HA H 71 5.070 4.938 0.132 1
1 790 . 5 1 1 A 71 71 LYS CA C 71 54.732 54.244 0.488 1
1 791 . 5 1 1 A 71 71 LYS CB C 71 36.388 36.187 0.201 1
1 793 . 5 1 1 A 71 71 LYS N N 71 128.313 125.313 3.000 1
1 794 . 5 1 1 A 72 72 ALA H H 72 8.623 8.926 -0.303 1
1 795 . 5 1 1 A 72 72 ALA HA H 72 4.060 4.307 -0.247 1
1 799 . 5 1 1 A 72 72 ALA CA C 72 50.119 50.975 -0.856 1
1 800 . 5 1 1 A 72 72 ALA CB C 72 17.261 17.749 -0.488 1
1 801 . 5 1 1 A 72 72 ALA N N 72 123.091 125.081 -1.990 1
1 802 . 5 1 1 A 73 73 PRO HA H 73 4.328 4.369 -0.041 1
1 809 . 5 1 1 A 73 73 PRO CA C 73 63.731 64.383 -0.652 1
1 810 . 5 1 1 A 73 73 PRO CB C 73 32.196 31.794 0.402 1
1 813 . 5 1 1 A 74 74 PHE H H 74 6.758 6.780 -0.022 1
1 814 . 5 1 1 A 74 74 PHE HA H 74 4.414 4.891 -0.477 1
1 821 . 5 1 1 A 74 74 PHE CA C 74 54.539 56.195 -1.656 1
1 822 . 5 1 1 A 74 74 PHE CB C 74 40.862 40.410 0.452 1
1 823 . 5 1 1 A 74 74 PHE N N 74 112.045 113.285 -1.240 1
1 824 . 5 1 1 A 75 75 ASP H H 75 8.563 8.803 -0.240 1
1 825 . 5 1 1 A 75 75 ASP HA H 75 4.915 4.896 0.019 1
1 828 . 5 1 1 A 75 75 ASP CA C 75 54.108 55.181 -1.073 1
1 829 . 5 1 1 A 75 75 ASP CB C 75 41.011 41.013 -0.002 1
1 830 . 5 1 1 A 75 75 ASP N N 75 118.284 119.930 -1.646 1
1 831 . 5 1 1 A 76 76 GLY H H 76 8.340 8.494 -0.154 1
1 832 . 5 1 1 A 76 76 GLY HA2 H 76 4.228 4.342 -0.114 1
1 833 . 5 1 1 A 76 76 GLY HA3 H 76 4.070 4.436 -0.366 1
1 834 . 5 1 1 A 76 76 GLY CA C 76 46.761 46.323 0.438 1
1 835 . 5 1 1 A 76 76 GLY N N 76 108.739 107.604 1.135 1
1 836 . 5 1 1 A 77 77 THR H H 77 8.607 8.872 -0.265 1
1 837 . 5 1 1 A 77 77 THR HA H 77 4.966 5.214 -0.248 1
1 842 . 5 1 1 A 77 77 THR CA C 77 61.891 61.111 0.780 1
1 843 . 5 1 1 A 77 77 THR CB C 77 70.413 72.162 -1.749 1
1 845 . 5 1 1 A 77 77 THR N N 77 116.423 115.433 0.990 1
1 846 . 5 1 1 A 78 78 ILE H H 78 8.815 8.860 -0.045 1
1 847 . 5 1 1 A 78 78 ILE HA H 78 4.656 5.006 -0.350 1
1 857 . 5 1 1 A 78 78 ILE CA C 78 60.214 59.514 0.700 1
1 858 . 5 1 1 A 78 78 ILE CB C 78 43.110 42.177 0.933 1
1 862 . 5 1 1 A 78 78 ILE N N 78 129.313 123.483 5.830 1
1 863 . 5 1 1 A 79 79 GLY H H 79 8.052 8.815 -0.763 1
1 864 . 5 1 1 A 79 79 GLY HA2 H 79 4.394 4.108 0.286 1
1 865 . 5 1 1 A 79 79 GLY HA3 H 79 3.765 4.109 -0.344 1
1 866 . 5 1 1 A 79 79 GLY CA C 79 44.297 44.305 -0.008 1
1 867 . 5 1 1 A 79 79 GLY N N 79 114.522 116.051 -1.529 1
1 868 . 5 1 1 A 80 80 ASP H H 80 7.792 8.643 -0.851 1
1 869 . 5 1 1 A 80 80 ASP HA H 80 4.706 4.664 0.042 1
1 872 . 5 1 1 A 80 80 ASP CA C 80 53.784 54.867 -1.083 1
1 873 . 5 1 1 A 80 80 ASP CB C 80 42.062 41.733 0.329 1
1 874 . 5 1 1 A 80 80 ASP N N 80 113.706 119.400 -5.694 1
1 875 . 5 1 1 A 81 81 ALA H H 81 8.552 8.775 -0.223 1
1 876 . 5 1 1 A 81 81 ALA HA H 81 4.567 4.763 -0.196 1
1 880 . 5 1 1 A 81 81 ALA CA C 81 53.345 52.700 0.645 1
1 881 . 5 1 1 A 81 81 ALA CB C 81 20.325 19.394 0.931 1
1 882 . 5 1 1 A 81 81 ALA N N 81 124.168 124.571 -0.403 1
1 883 . 5 1 1 A 82 82 LEU H H 82 8.734 9.360 -0.626 1
1 884 . 5 1 1 A 82 82 LEU HA H 82 4.338 4.734 -0.396 1
1 893 . 5 1 1 A 82 82 LEU CA C 82 55.320 54.329 0.991 1
1 894 . 5 1 1 A 82 82 LEU CB C 82 41.616 43.424 -1.808 1
1 897 . 5 1 1 A 82 82 LEU N N 82 121.830 120.761 1.069 1
1 898 . 5 1 1 A 83 83 VAL H H 83 7.136 7.648 -0.512 1
1 899 . 5 1 1 A 83 83 VAL HA H 83 4.489 4.878 -0.389 1
1 907 . 5 1 1 A 83 83 VAL CA C 83 58.552 58.689 -0.137 1
1 908 . 5 1 1 A 83 83 VAL CB C 83 35.418 36.111 -0.693 1
1 911 . 5 1 1 A 83 83 VAL N N 83 108.193 114.420 -6.227 1
1 912 . 5 1 1 A 84 84 ASN H H 84 9.073 9.044 0.029 1
1 913 . 5 1 1 A 84 84 ASN HA H 84 4.872 5.302 -0.430 1
1 918 . 5 1 1 A 84 84 ASN CA C 84 51.417 51.524 -0.107 1
1 919 . 5 1 1 A 84 84 ASN CB C 84 42.127 43.089 -0.962 1
1 920 . 5 1 1 A 84 84 ASN N N 84 119.533 119.549 -0.016 1
1 922 . 5 1 1 A 85 85 ILE H H 85 8.390 8.514 -0.124 1
1 923 . 5 1 1 A 85 85 ILE HA H 85 3.384 3.700 -0.316 1
1 933 . 5 1 1 A 85 85 ILE CA C 85 63.985 64.083 -0.098 1
1 934 . 5 1 1 A 85 85 ILE CB C 85 37.368 37.462 -0.094 1
1 938 . 5 1 1 A 85 85 ILE N N 85 119.414 122.179 -2.765 1
1 939 . 5 1 1 A 86 86 GLY H H 86 9.229 8.858 0.371 1
1 940 . 5 1 1 A 86 86 GLY HA2 H 86 4.392 4.018 0.374 1
1 941 . 5 1 1 A 86 86 GLY HA3 H 86 3.412 4.025 -0.613 1
1 942 . 5 1 1 A 86 86 GLY CA C 86 44.946 44.917 0.029 1
1 943 . 5 1 1 A 86 86 GLY N N 86 117.337 115.638 1.699 1
1 944 . 5 1 1 A 87 87 ASP H H 87 7.956 8.282 -0.326 1
1 945 . 5 1 1 A 87 87 ASP HA H 87 4.599 4.693 -0.094 1
1 948 . 5 1 1 A 87 87 ASP CA C 87 55.055 54.936 0.119 1
1 949 . 5 1 1 A 87 87 ASP CB C 87 40.978 41.132 -0.154 1
1 950 . 5 1 1 A 87 87 ASP N N 87 121.511 121.675 -0.164 1
1 951 . 5 1 1 A 88 88 TYR H H 88 8.545 8.924 -0.379 1
1 952 . 5 1 1 A 88 88 TYR HA H 88 4.718 4.772 -0.054 1
1 959 . 5 1 1 A 88 88 TYR CA C 88 57.954 59.696 -1.742 1
1 960 . 5 1 1 A 88 88 TYR CB C 88 39.411 39.321 0.090 1
1 961 . 5 1 1 A 88 88 TYR N N 88 122.327 126.168 -3.841 1
1 962 . 5 1 1 A 89 89 VAL H H 89 8.937 8.467 0.470 1
1 963 . 5 1 1 A 89 89 VAL HA H 89 4.565 4.548 0.017 1
1 971 . 5 1 1 A 89 89 VAL CA C 89 58.580 59.198 -0.618 1
1 972 . 5 1 1 A 89 89 VAL CB C 89 34.504 35.944 -1.440 1
1 975 . 5 1 1 A 89 89 VAL N N 89 121.838 121.201 0.637 1
1 976 . 5 1 1 A 90 90 SER H H 90 8.761 8.421 0.340 1
1 977 . 5 1 1 A 90 90 SER HA H 90 4.562 5.126 -0.564 1
1 980 . 5 1 1 A 90 90 SER CA C 90 56.974 55.756 1.218 1
1 981 . 5 1 1 A 90 90 SER CB C 90 65.027 65.794 -0.767 1
1 982 . 5 1 1 A 90 90 SER N N 90 114.806 116.642 -1.836 1
1 983 . 5 1 1 A 91 91 ALA H H 91 8.692 8.975 -0.283 1
1 984 . 5 1 1 A 91 91 ALA HA H 91 3.505 3.951 -0.446 1
1 988 . 5 1 1 A 91 91 ALA CA C 91 53.471 55.813 -2.342 1
1 989 . 5 1 1 A 91 91 ALA CB C 91 18.719 18.848 -0.129 1
1 990 . 5 1 1 A 91 91 ALA N N 91 129.873 130.770 -0.897 1
1 991 . 5 1 1 A 92 92 SER H H 92 9.156 8.123 1.033 1
1 992 . 5 1 1 A 92 92 SER HA H 92 3.804 4.363 -0.559 1
1 995 . 5 1 1 A 92 92 SER CA C 92 60.827 59.044 1.783 1
1 996 . 5 1 1 A 92 92 SER CB C 92 62.630 63.692 -1.062 1
1 997 . 5 1 1 A 92 92 SER N N 92 113.297 112.500 0.797 1
1 998 . 5 1 1 A 93 93 THR H H 93 7.806 7.717 0.089 1
1 999 . 5 1 1 A 93 93 THR HA H 93 4.387 4.388 -0.001 1
1 1004 . 5 1 1 A 93 93 THR CA C 93 64.607 63.212 1.395 1
1 1005 . 5 1 1 A 93 93 THR CB C 93 71.127 69.764 1.363 1
1 1007 . 5 1 1 A 93 93 THR N N 93 113.896 112.978 0.918 1
1 1008 . 5 1 1 A 94 94 THR H H 94 7.691 7.290 0.401 1
1 1009 . 5 1 1 A 94 94 THR HA H 94 3.899 4.929 -1.030 1
1 1014 . 5 1 1 A 94 94 THR CA C 94 65.258 61.474 3.784 1
1 1015 . 5 1 1 A 94 94 THR CB C 94 70.283 71.266 -0.983 1
1 1017 . 5 1 1 A 94 94 THR N N 94 119.603 115.239 4.364 1
1 1018 . 5 1 1 A 95 95 GLU H H 95 8.389 8.989 -0.600 1
1 1019 . 5 1 1 A 95 95 GLU HA H 95 3.793 4.616 -0.823 1
1 1024 . 5 1 1 A 95 95 GLU CA C 95 56.783 54.972 1.811 1
1 1025 . 5 1 1 A 95 95 GLU CB C 95 29.777 31.965 -2.188 1
1 1027 . 5 1 1 A 95 95 GLU N N 95 124.816 126.483 -1.667 1
1 1028 . 5 1 1 A 96 96 LEU H H 96 8.735 8.823 -0.088 1
1 1029 . 5 1 1 A 96 96 LEU HA H 96 4.249 4.247 0.002 1
1 1039 . 5 1 1 A 96 96 LEU CA C 96 57.071 55.724 1.347 1
1 1040 . 5 1 1 A 96 96 LEU CB C 96 43.517 42.236 1.281 1
1 1044 . 5 1 1 A 96 96 LEU N N 96 120.104 125.981 -5.877 1
1 1045 . 5 1 1 A 97 97 VAL H H 97 7.049 7.311 -0.262 1
1 1046 . 5 1 1 A 97 97 VAL HA H 97 4.334 4.337 -0.003 1
1 1054 . 5 1 1 A 97 97 VAL CA C 97 61.411 60.915 0.496 1
1 1055 . 5 1 1 A 97 97 VAL CB C 97 31.724 34.218 -2.494 1
1 1058 . 5 1 1 A 97 97 VAL N N 97 112.399 114.197 -1.798 1
1 1059 . 5 1 1 A 98 98 ARG H H 98 8.968 8.600 0.368 1
1 1060 . 5 1 1 A 98 98 ARG HA H 98 5.255 5.292 -0.037 1
1 1067 . 5 1 1 A 98 98 ARG CA C 98 55.391 54.805 0.586 1
1 1068 . 5 1 1 A 98 98 ARG CB C 98 32.925 33.029 -0.104 1
1 1071 . 5 1 1 A 98 98 ARG N N 98 127.489 122.012 5.477 1
1 1072 . 5 1 1 A 99 99 VAL H H 99 8.884 8.847 0.037 1
1 1073 . 5 1 1 A 99 99 VAL HA H 99 4.554 4.890 -0.336 1
1 1078 . 5 1 1 A 99 99 VAL CA C 99 60.996 61.149 -0.153 1
1 1079 . 5 1 1 A 99 99 VAL CB C 99 34.358 34.285 0.073 1
1 1081 . 5 1 1 A 99 99 VAL N N 99 122.863 122.338 0.525 1
1 1082 . 5 1 1 A 100 100 THR H H 100 8.823 9.332 -0.509 1
1 1083 . 5 1 1 A 100 100 THR HA H 100 4.552 5.208 -0.656 1
1 1088 . 5 1 1 A 100 100 THR CA C 100 61.105 60.713 0.392 1
1 1089 . 5 1 1 A 100 100 THR CB C 100 70.859 71.787 -0.928 1
1 1091 . 5 1 1 A 100 100 THR N N 100 121.813 122.206 -0.393 1
1 1092 . 5 1 1 A 101 101 ASN H H 101 8.146 9.198 -1.052 1
1 1093 . 5 1 1 A 101 101 ASN HA H 101 4.505 4.992 -0.487 1
1 1098 . 5 1 1 A 101 101 ASN CA C 101 54.283 53.407 0.876 1
1 1099 . 5 1 1 A 101 101 ASN CB C 101 38.631 39.365 -0.734 1
1 1100 . 5 1 1 A 101 101 ASN N N 101 122.582 128.633 -6.051 1
1 1102 . 5 1 1 A 102 102 LEU H H 102 8.154 8.553 -0.399 1
1 1103 . 5 1 1 A 102 102 LEU HA H 102 4.236 5.008 -0.772 1
1 1113 . 5 1 1 A 102 102 LEU CA C 102 55.618 53.378 2.240 1
1 1114 . 5 1 1 A 102 102 LEU CB C 102 42.842 45.448 -2.606 1
1 1118 . 5 1 1 A 102 102 LEU N N 102 122.572 123.234 -0.662 1
1 1119 . 5 1 1 A 103 103 ASN H H 103 8.393 8.800 -0.407 1
1 1120 . 5 1 1 A 103 103 ASN HA H 103 4.862 4.778 0.084 1
1 1125 . 5 1 1 A 103 103 ASN CA C 103 51.431 51.979 -0.548 1
1 1126 . 5 1 1 A 103 103 ASN CB C 103 39.172 37.717 1.455 1
1 1127 . 5 1 1 A 103 103 ASN N N 103 120.155 118.629 1.526 1
1 1129 . 5 1 1 A 104 104 PRO HA H 104 4.224 4.574 -0.350 1
1 1136 . 5 1 1 A 104 104 PRO CA C 104 63.636 63.863 -0.227 1
1 1137 . 5 1 1 A 104 104 PRO CB C 104 32.301 32.524 -0.223 1
1 1140 . 5 1 1 A 105 105 ILE H H 105 7.870 8.125 -0.255 1
1 1141 . 5 1 1 A 105 105 ILE HA H 105 3.934 3.922 0.012 1
1 1151 . 5 1 1 A 105 105 ILE CA C 105 61.566 62.557 -0.991 1
1 1152 . 5 1 1 A 105 105 ILE CB C 105 38.723 37.236 1.487 1
1 1156 . 5 1 1 A 105 105 ILE N N 105 119.425 117.558 1.867 1
1 1157 . 5 1 1 A 106 106 TYR H H 106 7.945 7.992 -0.047 1
1 1158 . 5 1 1 A 106 106 TYR HA H 106 4.529 4.868 -0.339 1
1 1165 . 5 1 1 A 106 106 TYR CA C 106 57.548 57.561 -0.013 1
1 1166 . 5 1 1 A 106 106 TYR CB C 106 39.048 39.262 -0.214 1
1 1167 . 5 1 1 A 106 106 TYR N N 106 123.138 120.426 2.712 1
1 1168 . 5 1 1 A 107 107 ALA H H 107 8.113 7.377 0.736 1
1 1169 . 5 1 1 A 107 107 ALA HA H 107 4.213 4.412 -0.199 1
1 1173 . 5 1 1 A 107 107 ALA CA C 107 52.847 52.011 0.836 1
1 1174 . 5 1 1 A 107 107 ALA CB C 107 19.450 20.364 -0.914 1
1 1175 . 5 1 1 A 107 107 ALA N N 107 125.476 123.099 2.377 1
1 1176 . 5 1 1 A 108 108 ASP H H 108 8.140 8.675 -0.535 1
1 1177 . 5 1 1 A 108 108 ASP HA H 108 4.502 4.465 0.037 1
1 1180 . 5 1 1 A 108 108 ASP CA C 108 54.515 55.742 -1.227 1
1 1181 . 5 1 1 A 108 108 ASP CB C 108 41.436 40.961 0.475 1
1 1182 . 5 1 1 A 108 108 ASP N N 108 119.275 119.362 -0.087 1
1 1183 . 5 1 1 A 109 109 GLY H H 109 8.304 8.291 0.013 1
1 1184 . 5 1 1 A 109 109 GLY HA2 H 109 3.930 4.180 -0.250 1
1 1185 . 5 1 1 A 109 109 GLY HA3 H 109 3.844 4.180 -0.336 1
1 1186 . 5 1 1 A 109 109 GLY CA C 109 45.809 45.851 -0.042 1
1 1187 . 5 1 1 A 109 109 GLY N N 109 109.463 113.147 -3.684 1
1 1188 . 5 1 1 A 110 110 SER H H 110 8.169 8.540 -0.371 1
1 1189 . 5 1 1 A 110 110 SER HA H 110 4.263 5.220 -0.957 1
1 1190 . 5 1 1 A 110 110 SER CA C 110 59.017 57.712 1.305 1
1 1191 . 5 1 1 A 110 110 SER N N 110 115.630 116.419 -0.789 1
1 1192 . 5 1 1 A 111 111 HIS HA H 111 4.522 4.730 -0.208 1
1 1195 . 5 1 1 A 111 111 HIS CA C 111 56.269 55.624 0.645 1
1 1196 . 5 1 1 A 111 111 HIS CB C 111 30.558 32.485 -1.927 1
1 1197 . 5 1 1 A 112 112 HIS HA H 112 4.341 4.143 0.198 1
1 1200 . 5 1 1 A 112 112 HIS CA C 112 57.660 56.381 1.279 1
1 2 . 6 1 1 A 2 2 VAL H H 2 8.608 8.663 -0.055 1
1 3 . 6 1 1 A 2 2 VAL HA H 2 4.472 4.760 -0.288 1
1 11 . 6 1 1 A 2 2 VAL CA C 2 61.161 60.564 0.597 1
1 12 . 6 1 1 A 2 2 VAL CB C 2 35.825 36.084 -0.259 1
1 15 . 6 1 1 A 2 2 VAL N N 2 117.995 119.418 -1.423 1
1 16 . 6 1 1 A 3 3 ILE H H 3 8.424 8.786 -0.362 1
1 17 . 6 1 1 A 3 3 ILE HA H 3 4.489 4.641 -0.152 1
1 27 . 6 1 1 A 3 3 ILE CA C 3 60.273 60.532 -0.259 1
1 28 . 6 1 1 A 3 3 ILE CB C 3 38.595 37.392 1.203 1
1 32 . 6 1 1 A 3 3 ILE N N 3 125.647 127.390 -1.743 1
1 33 . 6 1 1 A 4 4 ILE H H 4 8.531 8.572 -0.041 1
1 34 . 6 1 1 A 4 4 ILE HA H 4 3.990 4.059 -0.069 1
1 44 . 6 1 1 A 4 4 ILE CA C 4 61.656 62.140 -0.484 1
1 45 . 6 1 1 A 4 4 ILE CB C 4 38.183 38.625 -0.442 1
1 49 . 6 1 1 A 4 4 ILE N N 4 127.472 130.358 -2.886 1
1 50 . 6 1 1 A 5 5 LYS H H 5 8.277 8.823 -0.546 1
1 51 . 6 1 1 A 5 5 LYS HA H 5 5.164 4.714 0.450 1
1 60 . 6 1 1 A 5 5 LYS CA C 5 53.440 52.926 0.514 1
1 61 . 6 1 1 A 5 5 LYS CB C 5 33.808 35.392 -1.584 1
1 65 . 6 1 1 A 5 5 LYS N N 5 126.697 126.163 0.534 1
1 66 . 6 1 1 A 6 6 PRO HA H 6 4.370 4.695 -0.325 1
1 73 . 6 1 1 A 6 6 PRO CA C 6 62.493 62.277 0.216 1
1 74 . 6 1 1 A 6 6 PRO CB C 6 32.091 32.604 -0.513 1
1 77 . 6 1 1 A 7 7 GLN H H 7 9.334 8.362 0.972 1
1 78 . 6 1 1 A 7 7 GLN HA H 7 4.348 4.125 0.223 1
1 85 . 6 1 1 A 7 7 GLN CA C 7 56.384 56.773 -0.389 1
1 86 . 6 1 1 A 7 7 GLN CB C 7 28.934 28.532 0.402 1
1 88 . 6 1 1 A 7 7 GLN N N 7 119.944 119.032 0.912 1
1 90 . 6 1 1 A 8 8 VAL H H 8 7.021 7.312 -0.291 1
1 91 . 6 1 1 A 8 8 VAL HA H 8 4.476 4.885 -0.409 1
1 99 . 6 1 1 A 8 8 VAL CA C 8 58.999 58.869 0.130 1
1 100 . 6 1 1 A 8 8 VAL CB C 8 35.347 35.673 -0.326 1
1 103 . 6 1 1 A 8 8 VAL N N 8 111.118 115.016 -3.898 1
1 104 . 6 1 1 A 9 9 SER H H 9 8.155 8.645 -0.490 1
1 105 . 6 1 1 A 9 9 SER HA H 9 4.945 4.653 0.292 1
1 108 . 6 1 1 A 9 9 SER CA C 9 56.704 57.948 -1.244 1
1 109 . 6 1 1 A 9 9 SER CB C 9 64.645 64.745 -0.100 1
1 110 . 6 1 1 A 9 9 SER N N 9 114.983 117.680 -2.697 1
1 111 . 6 1 1 A 10 10 GLY H H 10 7.981 8.203 -0.222 1
1 112 . 6 1 1 A 10 10 GLY HA2 H 10 4.416 4.235 0.181 1
1 113 . 6 1 1 A 10 10 GLY HA3 H 10 3.643 4.328 -0.685 1
1 114 . 6 1 1 A 10 10 GLY CA C 10 45.433 45.449 -0.016 1
1 115 . 6 1 1 A 10 10 GLY N N 10 108.602 107.472 1.130 1
1 116 . 6 1 1 A 11 11 VAL H H 11 8.018 8.492 -0.474 1
1 117 . 6 1 1 A 11 11 VAL HA H 11 4.740 5.248 -0.508 1
1 125 . 6 1 1 A 11 11 VAL CA C 11 60.580 59.050 1.530 1
1 126 . 6 1 1 A 11 11 VAL CB C 11 35.124 35.518 -0.394 1
1 129 . 6 1 1 A 11 11 VAL N N 11 118.346 117.340 1.006 1
1 130 . 6 1 1 A 12 12 ILE H H 12 8.452 8.933 -0.481 1
1 131 . 6 1 1 A 12 12 ILE HA H 12 4.042 4.309 -0.267 1
1 141 . 6 1 1 A 12 12 ILE CA C 12 60.400 62.337 -1.937 1
1 142 . 6 1 1 A 12 12 ILE CB C 12 35.725 38.185 -2.460 1
1 146 . 6 1 1 A 12 12 ILE N N 12 125.267 125.253 0.014 1
1 147 . 6 1 1 A 13 13 VAL H H 13 8.900 9.357 -0.457 1
1 148 . 6 1 1 A 13 13 VAL HA H 13 4.492 4.333 0.159 1
1 156 . 6 1 1 A 13 13 VAL CA C 13 62.168 63.386 -1.218 1
1 157 . 6 1 1 A 13 13 VAL CB C 13 33.406 33.806 -0.400 1
1 160 . 6 1 1 A 13 13 VAL N N 13 124.539 125.484 -0.945 1
1 161 . 6 1 1 A 14 14 ASN H H 14 7.649 7.441 0.208 1
1 162 . 6 1 1 A 14 14 ASN HA H 14 4.805 5.244 -0.439 1
1 167 . 6 1 1 A 14 14 ASN CA C 14 52.950 52.241 0.709 1
1 168 . 6 1 1 A 14 14 ASN CB C 14 42.149 42.060 0.089 1
1 169 . 6 1 1 A 14 14 ASN N N 14 115.008 116.822 -1.814 1
1 171 . 6 1 1 A 15 15 LYS H H 15 8.393 8.595 -0.202 1
1 172 . 6 1 1 A 15 15 LYS HA H 15 4.640 4.679 -0.039 1
1 179 . 6 1 1 A 15 15 LYS CA C 15 55.987 54.882 1.105 1
1 180 . 6 1 1 A 15 15 LYS CB C 15 35.412 33.354 2.058 1
1 183 . 6 1 1 A 15 15 LYS N N 15 123.820 122.274 1.546 1
1 184 . 6 1 1 A 16 16 LEU H H 16 8.015 8.376 -0.361 1
1 185 . 6 1 1 A 16 16 LEU HA H 16 4.983 4.000 0.983 1
1 195 . 6 1 1 A 16 16 LEU CA C 16 55.202 57.532 -2.330 1
1 196 . 6 1 1 A 16 16 LEU CB C 16 41.471 42.226 -0.755 1
1 200 . 6 1 1 A 16 16 LEU N N 16 126.200 126.308 -0.108 1
1 201 . 6 1 1 A 17 17 PHE H H 17 6.522 7.180 -0.658 1
1 202 . 6 1 1 A 17 17 PHE HA H 17 4.858 4.499 0.359 1
1 210 . 6 1 1 A 17 17 PHE CA C 17 55.675 55.754 -0.079 1
1 211 . 6 1 1 A 17 17 PHE CB C 17 41.329 40.930 0.399 1
1 212 . 6 1 1 A 17 17 PHE N N 17 113.650 116.470 -2.820 1
1 213 . 6 1 1 A 18 18 LYS H H 18 8.648 8.738 -0.090 1
1 214 . 6 1 1 A 18 18 LYS HA H 18 4.325 4.401 -0.076 1
1 223 . 6 1 1 A 18 18 LYS CA C 18 54.442 54.120 0.322 1
1 224 . 6 1 1 A 18 18 LYS CB C 18 35.233 35.712 -0.479 1
1 228 . 6 1 1 A 18 18 LYS N N 18 120.586 118.048 2.538 1
1 229 . 6 1 1 A 19 19 ALA H H 19 8.396 8.325 0.071 1
1 230 . 6 1 1 A 19 19 ALA HA H 19 3.956 4.192 -0.236 1
1 234 . 6 1 1 A 19 19 ALA CA C 19 54.151 53.851 0.300 1
1 235 . 6 1 1 A 19 19 ALA CB C 19 18.681 18.362 0.319 1
1 236 . 6 1 1 A 19 19 ALA N N 19 123.901 127.018 -3.117 1
1 237 . 6 1 1 A 20 20 GLY H H 20 8.806 8.935 -0.129 1
1 238 . 6 1 1 A 20 20 GLY HA2 H 20 4.299 3.987 0.312 1
1 239 . 6 1 1 A 20 20 GLY HA3 H 20 3.523 4.014 -0.491 1
1 240 . 6 1 1 A 20 20 GLY CA C 20 45.190 45.027 0.163 1
1 241 . 6 1 1 A 20 20 GLY N N 20 112.460 111.829 0.631 1
1 242 . 6 1 1 A 21 21 ASP H H 21 7.923 7.891 0.032 1
1 243 . 6 1 1 A 21 21 ASP HA H 21 4.489 4.837 -0.348 1
1 246 . 6 1 1 A 21 21 ASP CA C 21 55.477 52.294 3.183 1
1 247 . 6 1 1 A 21 21 ASP CB C 21 41.593 42.639 -1.046 1
1 248 . 6 1 1 A 21 21 ASP N N 21 121.531 122.022 -0.491 1
1 249 . 6 1 1 A 22 22 LYS H H 22 8.292 8.308 -0.016 1
1 250 . 6 1 1 A 22 22 LYS HA H 22 4.861 4.931 -0.070 1
1 259 . 6 1 1 A 22 22 LYS CA C 22 55.789 54.730 1.059 1
1 260 . 6 1 1 A 22 22 LYS CB C 22 31.948 35.290 -3.342 1
1 264 . 6 1 1 A 22 22 LYS N N 22 120.223 119.950 0.273 1
1 265 . 6 1 1 A 23 23 VAL H H 23 8.929 8.865 0.064 1
1 266 . 6 1 1 A 23 23 VAL HA H 23 4.828 5.068 -0.240 1
1 274 . 6 1 1 A 23 23 VAL CA C 23 58.619 59.225 -0.606 1
1 275 . 6 1 1 A 23 23 VAL CB C 23 34.776 35.673 -0.897 1
1 278 . 6 1 1 A 23 23 VAL N N 23 117.770 118.628 -0.858 1
1 279 . 6 1 1 A 24 24 LYS H H 24 7.952 8.435 -0.483 1
1 280 . 6 1 1 A 24 24 LYS HA H 24 4.828 4.439 0.389 1
1 289 . 6 1 1 A 24 24 LYS CA C 24 53.316 55.946 -2.630 1
1 290 . 6 1 1 A 24 24 LYS CB C 24 35.370 33.404 1.966 1
1 294 . 6 1 1 A 24 24 LYS N N 24 121.890 123.863 -1.973 1
1 295 . 6 1 1 A 25 25 LYS H H 25 8.903 8.719 0.184 1
1 296 . 6 1 1 A 25 25 LYS HA H 25 3.152 4.402 -1.250 1
1 304 . 6 1 1 A 25 25 LYS CA C 25 58.780 56.052 2.728 1
1 305 . 6 1 1 A 25 25 LYS CB C 25 32.788 31.383 1.405 1
1 309 . 6 1 1 A 25 25 LYS N N 25 121.717 121.330 0.387 1
1 310 . 6 1 1 A 26 26 GLY H H 26 8.887 8.341 0.546 1
1 311 . 6 1 1 A 26 26 GLY HA2 H 26 4.277 4.007 0.270 1
1 312 . 6 1 1 A 26 26 GLY HA3 H 26 3.462 4.042 -0.580 1
1 313 . 6 1 1 A 26 26 GLY CA C 26 45.387 44.926 0.461 1
1 314 . 6 1 1 A 26 26 GLY N N 26 115.271 106.866 8.405 1
1 315 . 6 1 1 A 27 27 GLN H H 27 8.423 7.674 0.749 1
1 316 . 6 1 1 A 27 27 GLN HA H 27 4.134 4.338 -0.204 1
1 323 . 6 1 1 A 27 27 GLN CA C 27 56.461 56.163 0.298 1
1 324 . 6 1 1 A 27 27 GLN CB C 27 30.655 29.087 1.568 1
1 326 . 6 1 1 A 27 27 GLN N N 27 123.160 119.947 3.213 1
1 328 . 6 1 1 A 28 28 THR H H 28 9.094 8.786 0.308 1
1 329 . 6 1 1 A 28 28 THR HA H 28 3.884 4.186 -0.302 1
1 334 . 6 1 1 A 28 28 THR CA C 28 66.017 64.152 1.865 1
1 335 . 6 1 1 A 28 28 THR CB C 28 68.577 69.086 -0.509 1
1 337 . 6 1 1 A 28 28 THR N N 28 124.723 118.410 6.313 1
1 338 . 6 1 1 A 29 29 LEU H H 29 9.499 9.292 0.207 1
1 339 . 6 1 1 A 29 29 LEU HA H 29 4.373 4.380 -0.007 1
1 349 . 6 1 1 A 29 29 LEU CA C 29 55.960 55.702 0.258 1
1 350 . 6 1 1 A 29 29 LEU CB C 29 44.601 43.226 1.375 1
1 354 . 6 1 1 A 29 29 LEU N N 29 125.894 127.123 -1.229 1
1 355 . 6 1 1 A 30 30 PHE H H 30 7.572 7.625 -0.053 1
1 356 . 6 1 1 A 30 30 PHE HA H 30 5.360 5.419 -0.059 1
1 364 . 6 1 1 A 30 30 PHE CA C 30 55.655 56.122 -0.467 1
1 365 . 6 1 1 A 30 30 PHE CB C 30 45.053 43.218 1.835 1
1 366 . 6 1 1 A 30 30 PHE N N 30 111.166 114.730 -3.564 1
1 367 . 6 1 1 A 31 31 ILE H H 31 7.850 8.423 -0.573 1
1 368 . 6 1 1 A 31 31 ILE HA H 31 4.808 4.899 -0.091 1
1 378 . 6 1 1 A 31 31 ILE CA C 31 60.159 59.281 0.878 1
1 379 . 6 1 1 A 31 31 ILE CB C 31 39.584 41.755 -2.171 1
1 383 . 6 1 1 A 31 31 ILE N N 31 119.419 119.939 -0.520 1
1 384 . 6 1 1 A 32 32 ILE H H 32 9.095 9.076 0.019 1
1 385 . 6 1 1 A 32 32 ILE HA H 32 4.830 5.340 -0.510 1
1 395 . 6 1 1 A 32 32 ILE CA C 32 59.205 59.611 -0.406 1
1 396 . 6 1 1 A 32 32 ILE CB C 32 42.206 41.162 1.044 1
1 400 . 6 1 1 A 32 32 ILE N N 32 127.930 126.692 1.238 1
1 401 . 6 1 1 A 33 33 GLU H H 33 9.089 9.268 -0.179 1
1 402 . 6 1 1 A 33 33 GLU HA H 33 4.674 4.955 -0.281 1
1 407 . 6 1 1 A 33 33 GLU CA C 33 55.047 54.726 0.321 1
1 408 . 6 1 1 A 33 33 GLU CB C 33 31.851 31.512 0.339 1
1 410 . 6 1 1 A 33 33 GLU N N 33 128.159 126.508 1.651 1
1 411 . 6 1 1 A 34 34 GLN H H 34 8.705 9.274 -0.569 1
1 412 . 6 1 1 A 34 34 GLN HA H 34 4.362 4.471 -0.109 1
1 419 . 6 1 1 A 34 34 GLN CA C 34 56.933 55.310 1.623 1
1 420 . 6 1 1 A 34 34 GLN CB C 34 30.273 26.959 3.314 1
1 422 . 6 1 1 A 34 34 GLN N N 34 128.144 126.351 1.793 1
1 424 . 6 1 1 A 35 35 ASP H H 35 8.488 8.333 0.155 1
1 425 . 6 1 1 A 35 35 ASP HA H 35 4.608 4.284 0.324 1
1 428 . 6 1 1 A 35 35 ASP CA C 35 54.124 57.776 -3.652 1
1 429 . 6 1 1 A 35 35 ASP CB C 35 41.702 41.078 0.624 1
1 430 . 6 1 1 A 35 35 ASP N N 35 122.441 121.694 0.747 1
1 431 . 6 1 1 A 36 36 GLN H H 36 8.604 7.899 0.705 1
1 432 . 6 1 1 A 36 36 GLN HA H 36 4.021 4.626 -0.605 1
1 439 . 6 1 1 A 36 36 GLN CA C 36 57.273 55.009 2.264 1
1 440 . 6 1 1 A 36 36 GLN CB C 36 29.266 29.687 -0.421 1
1 442 . 6 1 1 A 36 36 GLN N N 36 123.042 114.194 8.848 1
1 444 . 6 1 1 A 37 37 ALA H H 37 8.313 8.048 0.265 1
1 445 . 6 1 1 A 37 37 ALA HA H 37 4.212 4.089 0.123 1
1 449 . 6 1 1 A 37 37 ALA CA C 37 53.708 55.234 -1.526 1
1 450 . 6 1 1 A 37 37 ALA CB C 37 18.949 18.454 0.495 1
1 451 . 6 1 1 A 37 37 ALA N N 37 122.748 124.885 -2.137 1
1 452 . 6 1 1 A 38 38 SER H H 38 7.949 8.119 -0.170 1
1 453 . 6 1 1 A 38 38 SER HA H 38 4.285 4.338 -0.053 1
1 456 . 6 1 1 A 38 38 SER CA C 38 59.468 61.639 -2.171 1
1 457 . 6 1 1 A 38 38 SER CB C 38 63.874 62.945 0.929 1
1 458 . 6 1 1 A 38 38 SER N N 38 113.828 113.470 0.358 1
1 459 . 6 1 1 A 39 39 LYS H H 39 8.107 8.211 -0.104 1
1 460 . 6 1 1 A 39 39 LYS HA H 39 4.124 4.056 0.068 1
1 469 . 6 1 1 A 39 39 LYS CA C 39 57.821 58.860 -1.039 1
1 470 . 6 1 1 A 39 39 LYS CB C 39 32.978 32.088 0.890 1
1 474 . 6 1 1 A 39 39 LYS N N 39 122.900 121.766 1.134 1
1 475 . 6 1 1 A 40 40 ASP H H 40 8.173 7.729 0.444 1
1 476 . 6 1 1 A 40 40 ASP HA H 40 4.477 4.668 -0.191 1
1 479 . 6 1 1 A 40 40 ASP CA C 40 55.164 56.730 -1.566 1
1 480 . 6 1 1 A 40 40 ASP CB C 40 41.359 41.586 -0.227 1
1 481 . 6 1 1 A 40 40 ASP N N 40 119.696 119.066 0.630 1
1 482 . 6 1 1 A 41 41 PHE H H 41 8.022 8.330 -0.308 1
1 483 . 6 1 1 A 41 41 PHE HA H 41 4.376 4.066 0.310 1
1 488 . 6 1 1 A 41 41 PHE CA C 41 59.354 61.474 -2.120 1
1 489 . 6 1 1 A 41 41 PHE CB C 41 39.414 39.061 0.353 1
1 490 . 6 1 1 A 41 41 PHE N N 41 121.310 120.348 0.962 1
1 491 . 6 1 1 A 42 42 ASN H H 42 8.247 8.919 -0.672 1
1 492 . 6 1 1 A 42 42 ASN HA H 42 4.483 4.418 0.065 1
1 497 . 6 1 1 A 42 42 ASN CA C 42 54.383 55.746 -1.363 1
1 498 . 6 1 1 A 42 42 ASN CB C 42 38.853 37.496 1.357 1
1 499 . 6 1 1 A 42 42 ASN N N 42 119.282 116.590 2.692 1
1 501 . 6 1 1 A 43 43 ARG H H 43 8.048 7.710 0.338 1
1 502 . 6 1 1 A 43 43 ARG HA H 43 4.130 4.090 0.040 1
1 509 . 6 1 1 A 43 43 ARG CA C 43 57.429 59.600 -2.171 1
1 510 . 6 1 1 A 43 43 ARG CB C 43 30.503 30.147 0.356 1
1 513 . 6 1 1 A 43 43 ARG N N 43 121.050 119.383 1.667 1
1 514 . 6 1 1 A 44 44 SER H H 44 8.111 8.359 -0.248 1
1 515 . 6 1 1 A 44 44 SER HA H 44 4.262 4.213 0.049 1
1 518 . 6 1 1 A 44 44 SER CA C 44 59.660 61.251 -1.591 1
1 519 . 6 1 1 A 44 44 SER CB C 44 63.810 62.551 1.259 1
1 520 . 6 1 1 A 44 44 SER N N 44 115.587 114.395 1.192 1
1 521 . 6 1 1 A 45 45 LYS H H 45 7.968 7.970 -0.002 1
1 522 . 6 1 1 A 45 45 LYS HA H 45 4.132 3.974 0.158 1
1 526 . 6 1 1 A 45 45 LYS CA C 45 57.193 58.828 -1.635 1
1 527 . 6 1 1 A 45 45 LYS CB C 45 32.534 32.051 0.483 1
1 529 . 6 1 1 A 45 45 LYS N N 45 122.205 121.246 0.959 1
1 530 . 6 1 1 A 46 46 ALA H H 46 7.936 7.609 0.327 1
1 531 . 6 1 1 A 46 46 ALA HA H 46 4.179 4.179 0.000 1
1 535 . 6 1 1 A 46 46 ALA CA C 46 53.196 53.583 -0.387 1
1 536 . 6 1 1 A 46 46 ALA CB C 46 19.279 18.725 0.554 1
1 537 . 6 1 1 A 46 46 ALA N N 46 123.430 121.108 2.322 1
1 538 . 6 1 1 A 47 47 LEU H H 47 7.873 7.457 0.416 1
1 539 . 6 1 1 A 47 47 LEU HA H 47 4.147 4.114 0.033 1
1 549 . 6 1 1 A 47 47 LEU CA C 47 55.854 57.819 -1.965 1
1 550 . 6 1 1 A 47 47 LEU CB C 47 42.536 42.072 0.464 1
1 554 . 6 1 1 A 47 47 LEU N N 47 119.760 119.426 0.334 1
1 555 . 6 1 1 A 48 48 PHE H H 48 7.960 7.946 0.014 1
1 556 . 6 1 1 A 48 48 PHE HA H 48 4.540 4.743 -0.203 1
1 561 . 6 1 1 A 48 48 PHE CA C 48 58.150 57.276 0.874 1
1 562 . 6 1 1 A 48 48 PHE CB C 48 39.499 41.333 -1.834 1
1 563 . 6 1 1 A 48 48 PHE N N 48 119.481 113.893 5.588 1
1 564 . 6 1 1 A 49 49 SER H H 49 8.011 7.801 0.210 1
1 565 . 6 1 1 A 49 49 SER HA H 49 4.333 4.266 0.067 1
1 566 . 6 1 1 A 49 49 SER CA C 49 58.675 58.410 0.265 1
1 567 . 6 1 1 A 49 49 SER N N 49 116.263 111.467 4.796 1
1 568 . 6 1 1 A 50 50 GLN H H 50 8.252 7.500 0.752 1
1 569 . 6 1 1 A 50 50 GLN HA H 50 4.250 4.389 -0.139 1
1 576 . 6 1 1 A 50 50 GLN CA C 50 56.570 55.067 1.503 1
1 577 . 6 1 1 A 50 50 GLN CB C 50 29.372 28.601 0.771 1
1 579 . 6 1 1 A 50 50 GLN N N 50 121.890 120.611 1.279 1
1 581 . 6 1 1 A 51 51 SER H H 51 8.143 8.116 0.027 1
1 582 . 6 1 1 A 51 51 SER HA H 51 4.332 4.218 0.114 1
1 583 . 6 1 1 A 51 51 SER CA C 51 58.848 60.982 -2.134 1
1 584 . 6 1 1 A 51 51 SER N N 51 115.677 114.757 0.920 1
1 585 . 6 1 1 A 52 52 ALA H H 52 8.168 7.614 0.554 1
1 586 . 6 1 1 A 52 52 ALA HA H 52 4.261 4.137 0.124 1
1 590 . 6 1 1 A 52 52 ALA CA C 52 53.119 54.135 -1.016 1
1 591 . 6 1 1 A 52 52 ALA CB C 52 19.175 18.407 0.768 1
1 592 . 6 1 1 A 52 52 ALA N N 52 125.354 123.011 2.343 1
1 593 . 6 1 1 A 53 53 ILE H H 53 7.858 7.265 0.593 1
1 594 . 6 1 1 A 53 53 ILE HA H 53 4.094 4.677 -0.583 1
1 604 . 6 1 1 A 53 53 ILE CA C 53 61.666 59.953 1.713 1
1 605 . 6 1 1 A 53 53 ILE CB C 53 39.015 41.498 -2.483 1
1 609 . 6 1 1 A 53 53 ILE N N 53 118.218 117.102 1.116 1
1 610 . 6 1 1 A 54 54 SER H H 54 8.152 8.708 -0.556 1
1 611 . 6 1 1 A 54 54 SER HA H 54 4.348 4.393 -0.045 1
1 614 . 6 1 1 A 54 54 SER CA C 54 58.678 60.016 -1.338 1
1 615 . 6 1 1 A 54 54 SER CB C 54 64.002 63.779 0.223 1
1 616 . 6 1 1 A 54 54 SER N N 54 118.590 124.650 -6.060 1
1 617 . 6 1 1 A 55 55 GLN H H 55 8.298 8.933 -0.635 1
1 618 . 6 1 1 A 55 55 GLN HA H 55 4.198 4.056 0.142 1
1 625 . 6 1 1 A 55 55 GLN CA C 55 56.690 58.058 -1.368 1
1 626 . 6 1 1 A 55 55 GLN CB C 55 29.393 28.326 1.067 1
1 628 . 6 1 1 A 55 55 GLN N N 55 122.154 123.751 -1.597 1
1 630 . 6 1 1 A 56 56 LYS H H 56 8.153 7.977 0.176 1
1 631 . 6 1 1 A 56 56 LYS HA H 56 4.161 4.536 -0.375 1
1 636 . 6 1 1 A 56 56 LYS CA C 56 57.174 55.630 1.544 1
1 637 . 6 1 1 A 56 56 LYS CB C 56 32.991 33.790 -0.799 1
1 639 . 6 1 1 A 56 56 LYS N N 56 121.127 117.678 3.449 1
1 640 . 6 1 1 A 57 57 GLU H H 57 8.201 8.115 0.086 1
1 641 . 6 1 1 A 57 57 GLU HA H 57 4.151 4.473 -0.322 1
1 646 . 6 1 1 A 57 57 GLU CA C 57 57.273 57.688 -0.415 1
1 647 . 6 1 1 A 57 57 GLU CB C 57 30.262 30.846 -0.584 1
1 649 . 6 1 1 A 57 57 GLU N N 57 120.626 117.621 3.005 1
1 650 . 6 1 1 A 58 58 TYR H H 58 8.057 8.582 -0.525 1
1 651 . 6 1 1 A 58 58 TYR HA H 58 4.375 4.334 0.041 1
1 658 . 6 1 1 A 58 58 TYR CA C 58 58.721 60.260 -1.539 1
1 659 . 6 1 1 A 58 58 TYR CB C 58 39.096 37.027 2.069 1
1 660 . 6 1 1 A 58 58 TYR N N 58 120.841 118.523 2.318 1
1 661 . 6 1 1 A 59 59 ASP H H 59 8.144 8.224 -0.080 1
1 662 . 6 1 1 A 59 59 ASP HA H 59 4.493 3.728 0.765 1
1 665 . 6 1 1 A 59 59 ASP CA C 59 54.505 55.866 -1.361 1
1 666 . 6 1 1 A 59 59 ASP CB C 59 41.233 38.966 2.267 1
1 667 . 6 1 1 A 59 59 ASP N N 59 122.549 120.779 1.770 1
1 668 . 6 1 1 A 60 60 SER H H 60 8.245 7.714 0.531 1
1 669 . 6 1 1 A 60 60 SER HA H 60 4.255 4.207 0.048 1
1 670 . 6 1 1 A 60 60 SER CA C 60 59.650 61.082 -1.432 1
1 671 . 6 1 1 A 60 60 SER N N 60 117.646 117.016 0.630 1
1 672 . 6 1 1 A 61 61 SER H H 61 8.329 7.931 0.398 1
1 673 . 6 1 1 A 61 61 SER HA H 61 4.307 4.397 -0.090 1
1 676 . 6 1 1 A 61 61 SER CA C 61 59.882 59.947 -0.065 1
1 677 . 6 1 1 A 61 61 SER CB C 61 63.888 63.842 0.046 1
1 678 . 6 1 1 A 61 61 SER N N 61 118.138 117.453 0.685 1
1 679 . 6 1 1 A 62 62 LEU H H 62 7.753 7.659 0.094 1
1 680 . 6 1 1 A 62 62 LEU HA H 62 4.227 4.272 -0.045 1
1 690 . 6 1 1 A 62 62 LEU CA C 62 55.640 55.457 0.183 1
1 691 . 6 1 1 A 62 62 LEU CB C 62 42.389 42.958 -0.569 1
1 695 . 6 1 1 A 62 62 LEU N N 62 122.616 117.975 4.641 1
1 696 . 6 1 1 A 63 63 ALA H H 63 7.908 7.164 0.744 1
1 697 . 6 1 1 A 63 63 ALA HA H 63 4.266 4.579 -0.313 1
1 701 . 6 1 1 A 63 63 ALA CA C 63 53.071 50.864 2.207 1
1 702 . 6 1 1 A 63 63 ALA CB C 63 19.373 22.167 -2.794 1
1 703 . 6 1 1 A 63 63 ALA N N 63 123.326 117.698 5.628 1
1 704 . 6 1 1 A 64 64 THR H H 64 7.855 8.579 -0.724 1
1 705 . 6 1 1 A 64 64 THR HA H 64 4.212 4.019 0.193 1
1 710 . 6 1 1 A 64 64 THR CA C 64 61.955 66.361 -4.406 1
1 711 . 6 1 1 A 64 64 THR CB C 64 69.997 68.799 1.198 1
1 713 . 6 1 1 A 64 64 THR N N 64 112.019 115.551 -3.532 1
1 714 . 6 1 1 A 65 65 LEU H H 65 7.970 7.856 0.114 1
1 715 . 6 1 1 A 65 65 LEU HA H 65 4.290 4.421 -0.131 1
1 725 . 6 1 1 A 65 65 LEU CA C 65 55.509 55.723 -0.214 1
1 726 . 6 1 1 A 65 65 LEU CB C 65 42.619 44.375 -1.756 1
1 730 . 6 1 1 A 65 65 LEU N N 65 123.564 116.419 7.145 1
1 731 . 6 1 1 A 66 66 ASP H H 66 8.271 7.751 0.520 1
1 732 . 6 1 1 A 66 66 ASP HA H 66 4.538 4.757 -0.219 1
1 735 . 6 1 1 A 66 66 ASP CA C 66 54.906 53.219 1.687 1
1 736 . 6 1 1 A 66 66 ASP CB C 66 41.384 41.319 0.065 1
1 737 . 6 1 1 A 66 66 ASP N N 66 120.385 113.365 7.020 1
1 738 . 6 1 1 A 67 67 HIS H H 67 8.020 7.572 0.448 1
1 739 . 6 1 1 A 67 67 HIS HA H 67 5.236 5.489 -0.253 1
1 744 . 6 1 1 A 67 67 HIS CA C 67 55.411 54.316 1.095 1
1 745 . 6 1 1 A 67 67 HIS CB C 67 32.135 33.622 -1.487 1
1 746 . 6 1 1 A 67 67 HIS N N 67 119.214 119.090 0.124 1
1 747 . 6 1 1 A 68 68 THR H H 68 8.903 8.863 0.040 1
1 748 . 6 1 1 A 68 68 THR HA H 68 4.474 4.941 -0.467 1
1 753 . 6 1 1 A 68 68 THR CA C 68 62.536 61.079 1.457 1
1 754 . 6 1 1 A 68 68 THR CB C 68 71.267 72.636 -1.369 1
1 756 . 6 1 1 A 68 68 THR N N 68 117.138 114.636 2.502 1
1 757 . 6 1 1 A 69 69 GLU H H 69 8.630 8.746 -0.116 1
1 758 . 6 1 1 A 69 69 GLU HA H 69 4.480 5.188 -0.708 1
1 763 . 6 1 1 A 69 69 GLU CA C 69 56.016 55.357 0.659 1
1 764 . 6 1 1 A 69 69 GLU CB C 69 31.824 32.170 -0.346 1
1 766 . 6 1 1 A 69 69 GLU N N 69 124.226 123.110 1.116 1
1 767 . 6 1 1 A 70 70 ILE H H 70 8.589 8.666 -0.077 1
1 768 . 6 1 1 A 70 70 ILE HA H 70 4.405 4.989 -0.584 1
1 778 . 6 1 1 A 70 70 ILE CA C 70 59.367 59.822 -0.455 1
1 779 . 6 1 1 A 70 70 ILE CB C 70 37.492 40.858 -3.366 1
1 783 . 6 1 1 A 70 70 ILE N N 70 123.526 121.099 2.427 1
1 784 . 6 1 1 A 71 71 LYS H H 71 8.910 8.575 0.335 1
1 785 . 6 1 1 A 71 71 LYS HA H 71 5.070 4.904 0.166 1
1 790 . 6 1 1 A 71 71 LYS CA C 71 54.732 54.248 0.484 1
1 791 . 6 1 1 A 71 71 LYS CB C 71 36.388 36.135 0.253 1
1 793 . 6 1 1 A 71 71 LYS N N 71 128.313 125.430 2.883 1
1 794 . 6 1 1 A 72 72 ALA H H 72 8.623 8.905 -0.282 1
1 795 . 6 1 1 A 72 72 ALA HA H 72 4.060 4.314 -0.254 1
1 799 . 6 1 1 A 72 72 ALA CA C 72 50.119 50.830 -0.711 1
1 800 . 6 1 1 A 72 72 ALA CB C 72 17.261 18.170 -0.909 1
1 801 . 6 1 1 A 72 72 ALA N N 72 123.091 125.094 -2.003 1
1 802 . 6 1 1 A 73 73 PRO HA H 73 4.328 4.361 -0.033 1
1 809 . 6 1 1 A 73 73 PRO CA C 73 63.731 64.356 -0.625 1
1 810 . 6 1 1 A 73 73 PRO CB C 73 32.196 31.878 0.318 1
1 813 . 6 1 1 A 74 74 PHE H H 74 6.758 6.879 -0.121 1
1 814 . 6 1 1 A 74 74 PHE HA H 74 4.414 4.911 -0.497 1
1 821 . 6 1 1 A 74 74 PHE CA C 74 54.539 56.081 -1.542 1
1 822 . 6 1 1 A 74 74 PHE CB C 74 40.862 40.608 0.254 1
1 823 . 6 1 1 A 74 74 PHE N N 74 112.045 112.336 -0.291 1
1 824 . 6 1 1 A 75 75 ASP H H 75 8.563 8.905 -0.342 1
1 825 . 6 1 1 A 75 75 ASP HA H 75 4.915 5.240 -0.325 1
1 828 . 6 1 1 A 75 75 ASP CA C 75 54.108 55.147 -1.039 1
1 829 . 6 1 1 A 75 75 ASP CB C 75 41.011 41.938 -0.927 1
1 830 . 6 1 1 A 75 75 ASP N N 75 118.284 120.542 -2.258 1
1 831 . 6 1 1 A 76 76 GLY H H 76 8.340 8.136 0.204 1
1 832 . 6 1 1 A 76 76 GLY HA2 H 76 4.228 4.353 -0.125 1
1 833 . 6 1 1 A 76 76 GLY HA3 H 76 4.070 4.456 -0.386 1
1 834 . 6 1 1 A 76 76 GLY CA C 76 46.761 46.419 0.342 1
1 835 . 6 1 1 A 76 76 GLY N N 76 108.739 111.996 -3.257 1
1 836 . 6 1 1 A 77 77 THR H H 77 8.607 9.000 -0.393 1
1 837 . 6 1 1 A 77 77 THR HA H 77 4.966 5.266 -0.300 1
1 842 . 6 1 1 A 77 77 THR CA C 77 61.891 61.339 0.552 1
1 843 . 6 1 1 A 77 77 THR CB C 77 70.413 71.610 -1.197 1
1 845 . 6 1 1 A 77 77 THR N N 77 116.423 115.645 0.778 1
1 846 . 6 1 1 A 78 78 ILE H H 78 8.815 8.981 -0.166 1
1 847 . 6 1 1 A 78 78 ILE HA H 78 4.656 5.106 -0.450 1
1 857 . 6 1 1 A 78 78 ILE CA C 78 60.214 59.600 0.614 1
1 858 . 6 1 1 A 78 78 ILE CB C 78 43.110 42.309 0.801 1
1 862 . 6 1 1 A 78 78 ILE N N 78 129.313 123.779 5.534 1
1 863 . 6 1 1 A 79 79 GLY H H 79 8.052 8.918 -0.866 1
1 864 . 6 1 1 A 79 79 GLY HA2 H 79 4.394 4.175 0.219 1
1 865 . 6 1 1 A 79 79 GLY HA3 H 79 3.765 4.176 -0.411 1
1 866 . 6 1 1 A 79 79 GLY CA C 79 44.297 44.303 -0.006 1
1 867 . 6 1 1 A 79 79 GLY N N 79 114.522 115.748 -1.226 1
1 868 . 6 1 1 A 80 80 ASP H H 80 7.792 8.553 -0.761 1
1 869 . 6 1 1 A 80 80 ASP HA H 80 4.706 4.639 0.067 1
1 872 . 6 1 1 A 80 80 ASP CA C 80 53.784 54.546 -0.762 1
1 873 . 6 1 1 A 80 80 ASP CB C 80 42.062 41.082 0.980 1
1 874 . 6 1 1 A 80 80 ASP N N 80 113.706 118.026 -4.320 1
1 875 . 6 1 1 A 81 81 ALA H H 81 8.552 8.821 -0.269 1
1 876 . 6 1 1 A 81 81 ALA HA H 81 4.567 4.772 -0.205 1
1 880 . 6 1 1 A 81 81 ALA CA C 81 53.345 53.038 0.307 1
1 881 . 6 1 1 A 81 81 ALA CB C 81 20.325 19.347 0.978 1
1 882 . 6 1 1 A 81 81 ALA N N 81 124.168 125.070 -0.902 1
1 883 . 6 1 1 A 82 82 LEU H H 82 8.734 9.568 -0.834 1
1 884 . 6 1 1 A 82 82 LEU HA H 82 4.338 4.633 -0.295 1
1 893 . 6 1 1 A 82 82 LEU CA C 82 55.320 54.748 0.572 1
1 894 . 6 1 1 A 82 82 LEU CB C 82 41.616 42.520 -0.904 1
1 897 . 6 1 1 A 82 82 LEU N N 82 121.830 124.081 -2.251 1
1 898 . 6 1 1 A 83 83 VAL H H 83 7.136 7.604 -0.468 1
1 899 . 6 1 1 A 83 83 VAL HA H 83 4.489 4.943 -0.454 1
1 907 . 6 1 1 A 83 83 VAL CA C 83 58.552 58.613 -0.061 1
1 908 . 6 1 1 A 83 83 VAL CB C 83 35.418 36.214 -0.796 1
1 911 . 6 1 1 A 83 83 VAL N N 83 108.193 113.174 -4.981 1
1 912 . 6 1 1 A 84 84 ASN H H 84 9.073 9.055 0.018 1
1 913 . 6 1 1 A 84 84 ASN HA H 84 4.872 5.338 -0.466 1
1 918 . 6 1 1 A 84 84 ASN CA C 84 51.417 51.416 0.001 1
1 919 . 6 1 1 A 84 84 ASN CB C 84 42.127 43.060 -0.933 1
1 920 . 6 1 1 A 84 84 ASN N N 84 119.533 119.473 0.060 1
1 922 . 6 1 1 A 85 85 ILE H H 85 8.390 8.539 -0.149 1
1 923 . 6 1 1 A 85 85 ILE HA H 85 3.384 3.707 -0.323 1
1 933 . 6 1 1 A 85 85 ILE CA C 85 63.985 64.070 -0.085 1
1 934 . 6 1 1 A 85 85 ILE CB C 85 37.368 37.313 0.055 1
1 938 . 6 1 1 A 85 85 ILE N N 85 119.414 122.444 -3.030 1
1 939 . 6 1 1 A 86 86 GLY H H 86 9.229 8.761 0.468 1
1 940 . 6 1 1 A 86 86 GLY HA2 H 86 4.392 4.066 0.326 1
1 941 . 6 1 1 A 86 86 GLY HA3 H 86 3.412 4.073 -0.661 1
1 942 . 6 1 1 A 86 86 GLY CA C 86 44.946 44.928 0.018 1
1 943 . 6 1 1 A 86 86 GLY N N 86 117.337 115.505 1.832 1
1 944 . 6 1 1 A 87 87 ASP H H 87 7.956 8.304 -0.348 1
1 945 . 6 1 1 A 87 87 ASP HA H 87 4.599 4.707 -0.108 1
1 948 . 6 1 1 A 87 87 ASP CA C 87 55.055 54.892 0.163 1
1 949 . 6 1 1 A 87 87 ASP CB C 87 40.978 41.249 -0.271 1
1 950 . 6 1 1 A 87 87 ASP N N 87 121.511 121.834 -0.323 1
1 951 . 6 1 1 A 88 88 TYR H H 88 8.545 8.935 -0.390 1
1 952 . 6 1 1 A 88 88 TYR HA H 88 4.718 4.813 -0.095 1
1 959 . 6 1 1 A 88 88 TYR CA C 88 57.954 59.732 -1.778 1
1 960 . 6 1 1 A 88 88 TYR CB C 88 39.411 39.331 0.080 1
1 961 . 6 1 1 A 88 88 TYR N N 88 122.327 126.224 -3.897 1
1 962 . 6 1 1 A 89 89 VAL H H 89 8.937 8.541 0.396 1
1 963 . 6 1 1 A 89 89 VAL HA H 89 4.565 4.705 -0.140 1
1 971 . 6 1 1 A 89 89 VAL CA C 89 58.580 59.103 -0.523 1
1 972 . 6 1 1 A 89 89 VAL CB C 89 34.504 35.880 -1.376 1
1 975 . 6 1 1 A 89 89 VAL N N 89 121.838 121.207 0.631 1
1 976 . 6 1 1 A 90 90 SER H H 90 8.761 8.468 0.293 1
1 977 . 6 1 1 A 90 90 SER HA H 90 4.562 4.972 -0.410 1
1 980 . 6 1 1 A 90 90 SER CA C 90 56.974 55.941 1.033 1
1 981 . 6 1 1 A 90 90 SER CB C 90 65.027 65.320 -0.293 1
1 982 . 6 1 1 A 90 90 SER N N 90 114.806 116.688 -1.882 1
1 983 . 6 1 1 A 91 91 ALA H H 91 8.692 8.963 -0.271 1
1 984 . 6 1 1 A 91 91 ALA HA H 91 3.505 4.091 -0.586 1
1 988 . 6 1 1 A 91 91 ALA CA C 91 53.471 54.720 -1.249 1
1 989 . 6 1 1 A 91 91 ALA CB C 91 18.719 18.424 0.295 1
1 990 . 6 1 1 A 91 91 ALA N N 91 129.873 129.567 0.306 1
1 991 . 6 1 1 A 92 92 SER H H 92 9.156 7.917 1.239 1
1 992 . 6 1 1 A 92 92 SER HA H 92 3.804 4.646 -0.842 1
1 995 . 6 1 1 A 92 92 SER CA C 92 60.827 57.195 3.632 1
1 996 . 6 1 1 A 92 92 SER CB C 92 62.630 64.623 -1.993 1
1 997 . 6 1 1 A 92 92 SER N N 92 113.297 108.347 4.950 1
1 998 . 6 1 1 A 93 93 THR H H 93 7.806 7.407 0.399 1
1 999 . 6 1 1 A 93 93 THR HA H 93 4.387 4.401 -0.014 1
1 1004 . 6 1 1 A 93 93 THR CA C 93 64.607 63.377 1.230 1
1 1005 . 6 1 1 A 93 93 THR CB C 93 71.127 70.151 0.976 1
1 1007 . 6 1 1 A 93 93 THR N N 93 113.896 115.107 -1.211 1
1 1008 . 6 1 1 A 94 94 THR H H 94 7.691 7.616 0.075 1
1 1009 . 6 1 1 A 94 94 THR HA H 94 3.899 4.469 -0.570 1
1 1014 . 6 1 1 A 94 94 THR CA C 94 65.258 62.345 2.913 1
1 1015 . 6 1 1 A 94 94 THR CB C 94 70.283 71.220 -0.937 1
1 1017 . 6 1 1 A 94 94 THR N N 94 119.603 111.076 8.527 1
1 1018 . 6 1 1 A 95 95 GLU H H 95 8.389 7.981 0.408 1
1 1019 . 6 1 1 A 95 95 GLU HA H 95 3.793 4.151 -0.358 1
1 1024 . 6 1 1 A 95 95 GLU CA C 95 56.783 57.655 -0.872 1
1 1025 . 6 1 1 A 95 95 GLU CB C 95 29.777 28.479 1.298 1
1 1027 . 6 1 1 A 95 95 GLU N N 95 124.816 118.107 6.709 1
1 1028 . 6 1 1 A 96 96 LEU H H 96 8.735 8.194 0.541 1
1 1029 . 6 1 1 A 96 96 LEU HA H 96 4.249 4.256 -0.007 1
1 1039 . 6 1 1 A 96 96 LEU CA C 96 57.071 55.639 1.432 1
1 1040 . 6 1 1 A 96 96 LEU CB C 96 43.517 42.311 1.206 1
1 1044 . 6 1 1 A 96 96 LEU N N 96 120.104 125.430 -5.326 1
1 1045 . 6 1 1 A 97 97 VAL H H 97 7.049 7.310 -0.261 1
1 1046 . 6 1 1 A 97 97 VAL HA H 97 4.334 4.345 -0.011 1
1 1054 . 6 1 1 A 97 97 VAL CA C 97 61.411 60.953 0.458 1
1 1055 . 6 1 1 A 97 97 VAL CB C 97 31.724 34.144 -2.420 1
1 1058 . 6 1 1 A 97 97 VAL N N 97 112.399 114.186 -1.787 1
1 1059 . 6 1 1 A 98 98 ARG H H 98 8.968 8.565 0.403 1
1 1060 . 6 1 1 A 98 98 ARG HA H 98 5.255 5.240 0.015 1
1 1067 . 6 1 1 A 98 98 ARG CA C 98 55.391 54.402 0.989 1
1 1068 . 6 1 1 A 98 98 ARG CB C 98 32.925 33.664 -0.739 1
1 1071 . 6 1 1 A 98 98 ARG N N 98 127.489 121.860 5.629 1
1 1072 . 6 1 1 A 99 99 VAL H H 99 8.884 9.065 -0.181 1
1 1073 . 6 1 1 A 99 99 VAL HA H 99 4.554 4.836 -0.282 1
1 1078 . 6 1 1 A 99 99 VAL CA C 99 60.996 61.203 -0.207 1
1 1079 . 6 1 1 A 99 99 VAL CB C 99 34.358 33.677 0.681 1
1 1081 . 6 1 1 A 99 99 VAL N N 99 122.863 123.252 -0.389 1
1 1082 . 6 1 1 A 100 100 THR H H 100 8.823 9.418 -0.595 1
1 1083 . 6 1 1 A 100 100 THR HA H 100 4.552 5.245 -0.693 1
1 1088 . 6 1 1 A 100 100 THR CA C 100 61.105 60.570 0.535 1
1 1089 . 6 1 1 A 100 100 THR CB C 100 70.859 72.040 -1.181 1
1 1091 . 6 1 1 A 100 100 THR N N 100 121.813 121.475 0.338 1
1 1092 . 6 1 1 A 101 101 ASN H H 101 8.146 8.632 -0.486 1
1 1093 . 6 1 1 A 101 101 ASN HA H 101 4.505 4.965 -0.460 1
1 1098 . 6 1 1 A 101 101 ASN CA C 101 54.283 53.496 0.787 1
1 1099 . 6 1 1 A 101 101 ASN CB C 101 38.631 39.617 -0.986 1
1 1100 . 6 1 1 A 101 101 ASN N N 101 122.582 126.504 -3.922 1
1 1102 . 6 1 1 A 102 102 LEU H H 102 8.154 8.911 -0.757 1
1 1103 . 6 1 1 A 102 102 LEU HA H 102 4.236 4.231 0.005 1
1 1113 . 6 1 1 A 102 102 LEU CA C 102 55.618 57.186 -1.568 1
1 1114 . 6 1 1 A 102 102 LEU CB C 102 42.842 42.567 0.275 1
1 1118 . 6 1 1 A 102 102 LEU N N 102 122.572 127.982 -5.410 1
1 1119 . 6 1 1 A 103 103 ASN H H 103 8.393 8.212 0.181 1
1 1120 . 6 1 1 A 103 103 ASN HA H 103 4.862 5.137 -0.275 1
1 1125 . 6 1 1 A 103 103 ASN CA C 103 51.431 49.759 1.672 1
1 1126 . 6 1 1 A 103 103 ASN CB C 103 39.172 40.867 -1.695 1
1 1127 . 6 1 1 A 103 103 ASN N N 103 120.155 115.097 5.058 1
1 1129 . 6 1 1 A 104 104 PRO HA H 104 4.224 4.452 -0.228 1
1 1136 . 6 1 1 A 104 104 PRO CA C 104 63.636 63.745 -0.109 1
1 1137 . 6 1 1 A 104 104 PRO CB C 104 32.301 32.404 -0.103 1
1 1140 . 6 1 1 A 105 105 ILE H H 105 7.870 7.985 -0.115 1
1 1141 . 6 1 1 A 105 105 ILE HA H 105 3.934 3.849 0.085 1
1 1151 . 6 1 1 A 105 105 ILE CA C 105 61.566 63.413 -1.847 1
1 1152 . 6 1 1 A 105 105 ILE CB C 105 38.723 36.942 1.781 1
1 1156 . 6 1 1 A 105 105 ILE N N 105 119.425 117.353 2.072 1
1 1157 . 6 1 1 A 106 106 TYR H H 106 7.945 7.458 0.487 1
1 1158 . 6 1 1 A 106 106 TYR HA H 106 4.529 4.418 0.111 1
1 1165 . 6 1 1 A 106 106 TYR CA C 106 57.548 60.873 -3.325 1
1 1166 . 6 1 1 A 106 106 TYR CB C 106 39.048 38.528 0.520 1
1 1167 . 6 1 1 A 106 106 TYR N N 106 123.138 120.955 2.183 1
1 1168 . 6 1 1 A 107 107 ALA H H 107 8.113 7.558 0.555 1
1 1169 . 6 1 1 A 107 107 ALA HA H 107 4.213 4.566 -0.353 1
1 1173 . 6 1 1 A 107 107 ALA CA C 107 52.847 51.325 1.522 1
1 1174 . 6 1 1 A 107 107 ALA CB C 107 19.450 18.975 0.475 1
1 1175 . 6 1 1 A 107 107 ALA N N 107 125.476 120.155 5.321 1
1 1176 . 6 1 1 A 108 108 ASP H H 108 8.140 8.229 -0.089 1
1 1177 . 6 1 1 A 108 108 ASP HA H 108 4.502 4.573 -0.071 1
1 1180 . 6 1 1 A 108 108 ASP CA C 108 54.515 55.503 -0.988 1
1 1181 . 6 1 1 A 108 108 ASP CB C 108 41.436 40.446 0.990 1
1 1182 . 6 1 1 A 108 108 ASP N N 108 119.275 116.557 2.718 1
1 1183 . 6 1 1 A 109 109 GLY H H 109 8.304 7.882 0.422 1
1 1184 . 6 1 1 A 109 109 GLY HA2 H 109 3.930 3.846 0.084 1
1 1185 . 6 1 1 A 109 109 GLY HA3 H 109 3.844 3.852 -0.008 1
1 1186 . 6 1 1 A 109 109 GLY CA C 109 45.809 47.435 -1.626 1
1 1187 . 6 1 1 A 109 109 GLY N N 109 109.463 108.549 0.914 1
1 1188 . 6 1 1 A 110 110 SER H H 110 8.169 8.183 -0.014 1
1 1189 . 6 1 1 A 110 110 SER HA H 110 4.263 4.283 -0.020 1
1 1190 . 6 1 1 A 110 110 SER CA C 110 59.017 59.902 -0.885 1
1 1191 . 6 1 1 A 110 110 SER N N 110 115.630 114.966 0.664 1
1 1192 . 6 1 1 A 111 111 HIS HA H 111 4.522 4.780 -0.258 1
1 1195 . 6 1 1 A 111 111 HIS CA C 111 56.269 54.792 1.477 1
1 1196 . 6 1 1 A 111 111 HIS CB C 111 30.558 31.321 -0.763 1
1 1197 . 6 1 1 A 112 112 HIS HA H 112 4.341 4.422 -0.081 1
1 1200 . 6 1 1 A 112 112 HIS CA C 112 57.660 57.797 -0.137 1
1 2 . 7 1 1 A 2 2 VAL H H 2 8.608 8.591 0.017 1
1 3 . 7 1 1 A 2 2 VAL HA H 2 4.472 4.532 -0.060 1
1 11 . 7 1 1 A 2 2 VAL CA C 2 61.161 62.075 -0.914 1
1 12 . 7 1 1 A 2 2 VAL CB C 2 35.825 32.309 3.516 1
1 15 . 7 1 1 A 2 2 VAL N N 2 117.995 121.474 -3.479 1
1 16 . 7 1 1 A 3 3 ILE H H 3 8.424 8.884 -0.460 1
1 17 . 7 1 1 A 3 3 ILE HA H 3 4.489 4.559 -0.070 1
1 27 . 7 1 1 A 3 3 ILE CA C 3 60.273 60.465 -0.192 1
1 28 . 7 1 1 A 3 3 ILE CB C 3 38.595 38.462 0.133 1
1 32 . 7 1 1 A 3 3 ILE N N 3 125.647 127.034 -1.387 1
1 33 . 7 1 1 A 4 4 ILE H H 4 8.531 8.723 -0.192 1
1 34 . 7 1 1 A 4 4 ILE HA H 4 3.990 4.109 -0.119 1
1 44 . 7 1 1 A 4 4 ILE CA C 4 61.656 61.911 -0.255 1
1 45 . 7 1 1 A 4 4 ILE CB C 4 38.183 38.550 -0.367 1
1 49 . 7 1 1 A 4 4 ILE N N 4 127.472 130.365 -2.893 1
1 50 . 7 1 1 A 5 5 LYS H H 5 8.277 8.794 -0.517 1
1 51 . 7 1 1 A 5 5 LYS HA H 5 5.164 4.698 0.466 1
1 60 . 7 1 1 A 5 5 LYS CA C 5 53.440 52.904 0.536 1
1 61 . 7 1 1 A 5 5 LYS CB C 5 33.808 35.380 -1.572 1
1 65 . 7 1 1 A 5 5 LYS N N 5 126.697 126.485 0.212 1
1 66 . 7 1 1 A 6 6 PRO HA H 6 4.370 4.683 -0.313 1
1 73 . 7 1 1 A 6 6 PRO CA C 6 62.493 62.139 0.354 1
1 74 . 7 1 1 A 6 6 PRO CB C 6 32.091 32.600 -0.509 1
1 77 . 7 1 1 A 7 7 GLN H H 7 9.334 8.353 0.981 1
1 78 . 7 1 1 A 7 7 GLN HA H 7 4.348 4.105 0.243 1
1 85 . 7 1 1 A 7 7 GLN CA C 7 56.384 56.766 -0.382 1
1 86 . 7 1 1 A 7 7 GLN CB C 7 28.934 28.508 0.426 1
1 88 . 7 1 1 A 7 7 GLN N N 7 119.944 119.017 0.927 1
1 90 . 7 1 1 A 8 8 VAL H H 8 7.021 7.295 -0.274 1
1 91 . 7 1 1 A 8 8 VAL HA H 8 4.476 4.829 -0.353 1
1 99 . 7 1 1 A 8 8 VAL CA C 8 58.999 58.803 0.196 1
1 100 . 7 1 1 A 8 8 VAL CB C 8 35.347 35.643 -0.296 1
1 103 . 7 1 1 A 8 8 VAL N N 8 111.118 114.945 -3.827 1
1 104 . 7 1 1 A 9 9 SER H H 9 8.155 8.659 -0.504 1
1 105 . 7 1 1 A 9 9 SER HA H 9 4.945 4.636 0.309 1
1 108 . 7 1 1 A 9 9 SER CA C 9 56.704 57.931 -1.227 1
1 109 . 7 1 1 A 9 9 SER CB C 9 64.645 64.741 -0.096 1
1 110 . 7 1 1 A 9 9 SER N N 9 114.983 117.635 -2.652 1
1 111 . 7 1 1 A 10 10 GLY H H 10 7.981 8.235 -0.254 1
1 112 . 7 1 1 A 10 10 GLY HA2 H 10 4.416 4.232 0.184 1
1 113 . 7 1 1 A 10 10 GLY HA3 H 10 3.643 4.320 -0.677 1
1 114 . 7 1 1 A 10 10 GLY CA C 10 45.433 45.335 0.098 1
1 115 . 7 1 1 A 10 10 GLY N N 10 108.602 107.449 1.153 1
1 116 . 7 1 1 A 11 11 VAL H H 11 8.018 8.413 -0.395 1
1 117 . 7 1 1 A 11 11 VAL HA H 11 4.740 5.288 -0.548 1
1 125 . 7 1 1 A 11 11 VAL CA C 11 60.580 59.082 1.498 1
1 126 . 7 1 1 A 11 11 VAL CB C 11 35.124 35.647 -0.523 1
1 129 . 7 1 1 A 11 11 VAL N N 11 118.346 117.488 0.858 1
1 130 . 7 1 1 A 12 12 ILE H H 12 8.452 8.992 -0.540 1
1 131 . 7 1 1 A 12 12 ILE HA H 12 4.042 4.326 -0.284 1
1 141 . 7 1 1 A 12 12 ILE CA C 12 60.400 62.375 -1.975 1
1 142 . 7 1 1 A 12 12 ILE CB C 12 35.725 38.217 -2.492 1
1 146 . 7 1 1 A 12 12 ILE N N 12 125.267 125.181 0.086 1
1 147 . 7 1 1 A 13 13 VAL H H 13 8.900 9.368 -0.468 1
1 148 . 7 1 1 A 13 13 VAL HA H 13 4.492 4.332 0.160 1
1 156 . 7 1 1 A 13 13 VAL CA C 13 62.168 63.390 -1.222 1
1 157 . 7 1 1 A 13 13 VAL CB C 13 33.406 33.858 -0.452 1
1 160 . 7 1 1 A 13 13 VAL N N 13 124.539 125.916 -1.377 1
1 161 . 7 1 1 A 14 14 ASN H H 14 7.649 7.440 0.209 1
1 162 . 7 1 1 A 14 14 ASN HA H 14 4.805 5.188 -0.383 1
1 167 . 7 1 1 A 14 14 ASN CA C 14 52.950 52.301 0.649 1
1 168 . 7 1 1 A 14 14 ASN CB C 14 42.149 41.935 0.214 1
1 169 . 7 1 1 A 14 14 ASN N N 14 115.008 116.832 -1.824 1
1 171 . 7 1 1 A 15 15 LYS H H 15 8.393 8.565 -0.172 1
1 172 . 7 1 1 A 15 15 LYS HA H 15 4.640 4.678 -0.038 1
1 179 . 7 1 1 A 15 15 LYS CA C 15 55.987 54.869 1.118 1
1 180 . 7 1 1 A 15 15 LYS CB C 15 35.412 33.341 2.071 1
1 183 . 7 1 1 A 15 15 LYS N N 15 123.820 121.968 1.852 1
1 184 . 7 1 1 A 16 16 LEU H H 16 8.015 8.331 -0.316 1
1 185 . 7 1 1 A 16 16 LEU HA H 16 4.983 4.056 0.927 1
1 195 . 7 1 1 A 16 16 LEU CA C 16 55.202 57.446 -2.244 1
1 196 . 7 1 1 A 16 16 LEU CB C 16 41.471 42.350 -0.879 1
1 200 . 7 1 1 A 16 16 LEU N N 16 126.200 126.256 -0.056 1
1 201 . 7 1 1 A 17 17 PHE H H 17 6.522 7.193 -0.671 1
1 202 . 7 1 1 A 17 17 PHE HA H 17 4.858 4.480 0.378 1
1 210 . 7 1 1 A 17 17 PHE CA C 17 55.675 55.911 -0.236 1
1 211 . 7 1 1 A 17 17 PHE CB C 17 41.329 40.419 0.910 1
1 212 . 7 1 1 A 17 17 PHE N N 17 113.650 116.405 -2.755 1
1 213 . 7 1 1 A 18 18 LYS H H 18 8.648 8.803 -0.155 1
1 214 . 7 1 1 A 18 18 LYS HA H 18 4.325 4.475 -0.150 1
1 223 . 7 1 1 A 18 18 LYS CA C 18 54.442 54.105 0.337 1
1 224 . 7 1 1 A 18 18 LYS CB C 18 35.233 35.765 -0.532 1
1 228 . 7 1 1 A 18 18 LYS N N 18 120.586 118.163 2.423 1
1 229 . 7 1 1 A 19 19 ALA H H 19 8.396 8.330 0.066 1
1 230 . 7 1 1 A 19 19 ALA HA H 19 3.956 4.233 -0.277 1
1 234 . 7 1 1 A 19 19 ALA CA C 19 54.151 53.891 0.260 1
1 235 . 7 1 1 A 19 19 ALA CB C 19 18.681 18.381 0.300 1
1 236 . 7 1 1 A 19 19 ALA N N 19 123.901 126.863 -2.962 1
1 237 . 7 1 1 A 20 20 GLY H H 20 8.806 8.714 0.092 1
1 238 . 7 1 1 A 20 20 GLY HA2 H 20 4.299 3.999 0.300 1
1 239 . 7 1 1 A 20 20 GLY HA3 H 20 3.523 4.022 -0.499 1
1 240 . 7 1 1 A 20 20 GLY CA C 20 45.190 45.061 0.129 1
1 241 . 7 1 1 A 20 20 GLY N N 20 112.460 111.830 0.630 1
1 242 . 7 1 1 A 21 21 ASP H H 21 7.923 7.910 0.013 1
1 243 . 7 1 1 A 21 21 ASP HA H 21 4.489 4.950 -0.461 1
1 246 . 7 1 1 A 21 21 ASP CA C 21 55.477 52.261 3.216 1
1 247 . 7 1 1 A 21 21 ASP CB C 21 41.593 42.885 -1.292 1
1 248 . 7 1 1 A 21 21 ASP N N 21 121.531 121.584 -0.053 1
1 249 . 7 1 1 A 22 22 LYS H H 22 8.292 8.477 -0.185 1
1 250 . 7 1 1 A 22 22 LYS HA H 22 4.861 4.913 -0.052 1
1 259 . 7 1 1 A 22 22 LYS CA C 22 55.789 55.481 0.308 1
1 260 . 7 1 1 A 22 22 LYS CB C 22 31.948 34.559 -2.611 1
1 264 . 7 1 1 A 22 22 LYS N N 22 120.223 120.531 -0.308 1
1 265 . 7 1 1 A 23 23 VAL H H 23 8.929 8.971 -0.042 1
1 266 . 7 1 1 A 23 23 VAL HA H 23 4.828 4.790 0.038 1
1 274 . 7 1 1 A 23 23 VAL CA C 23 58.619 59.076 -0.457 1
1 275 . 7 1 1 A 23 23 VAL CB C 23 34.776 35.709 -0.933 1
1 278 . 7 1 1 A 23 23 VAL N N 23 117.770 118.557 -0.787 1
1 279 . 7 1 1 A 24 24 LYS H H 24 7.952 8.321 -0.369 1
1 280 . 7 1 1 A 24 24 LYS HA H 24 4.828 4.479 0.349 1
1 289 . 7 1 1 A 24 24 LYS CA C 24 53.316 55.829 -2.513 1
1 290 . 7 1 1 A 24 24 LYS CB C 24 35.370 33.269 2.101 1
1 294 . 7 1 1 A 24 24 LYS N N 24 121.890 124.872 -2.982 1
1 295 . 7 1 1 A 25 25 LYS H H 25 8.903 8.624 0.279 1
1 296 . 7 1 1 A 25 25 LYS HA H 25 3.152 3.979 -0.827 1
1 304 . 7 1 1 A 25 25 LYS CA C 25 58.780 58.258 0.522 1
1 305 . 7 1 1 A 25 25 LYS CB C 25 32.788 32.111 0.677 1
1 309 . 7 1 1 A 25 25 LYS N N 25 121.717 125.391 -3.674 1
1 310 . 7 1 1 A 26 26 GLY H H 26 8.887 8.806 0.081 1
1 311 . 7 1 1 A 26 26 GLY HA2 H 26 4.277 3.853 0.424 1
1 312 . 7 1 1 A 26 26 GLY HA3 H 26 3.462 3.878 -0.416 1
1 313 . 7 1 1 A 26 26 GLY CA C 26 45.387 45.507 -0.120 1
1 314 . 7 1 1 A 26 26 GLY N N 26 115.271 114.678 0.593 1
1 315 . 7 1 1 A 27 27 GLN H H 27 8.423 8.069 0.354 1
1 316 . 7 1 1 A 27 27 GLN HA H 27 4.134 4.255 -0.121 1
1 323 . 7 1 1 A 27 27 GLN CA C 27 56.461 56.221 0.240 1
1 324 . 7 1 1 A 27 27 GLN CB C 27 30.655 29.388 1.267 1
1 326 . 7 1 1 A 27 27 GLN N N 27 123.160 121.439 1.721 1
1 328 . 7 1 1 A 28 28 THR H H 28 9.094 8.782 0.312 1
1 329 . 7 1 1 A 28 28 THR HA H 28 3.884 4.131 -0.247 1
1 334 . 7 1 1 A 28 28 THR CA C 28 66.017 64.355 1.662 1
1 335 . 7 1 1 A 28 28 THR CB C 28 68.577 69.124 -0.547 1
1 337 . 7 1 1 A 28 28 THR N N 28 124.723 121.134 3.589 1
1 338 . 7 1 1 A 29 29 LEU H H 29 9.499 9.409 0.090 1
1 339 . 7 1 1 A 29 29 LEU HA H 29 4.373 4.404 -0.031 1
1 349 . 7 1 1 A 29 29 LEU CA C 29 55.960 55.616 0.344 1
1 350 . 7 1 1 A 29 29 LEU CB C 29 44.601 43.367 1.234 1
1 354 . 7 1 1 A 29 29 LEU N N 29 125.894 127.212 -1.318 1
1 355 . 7 1 1 A 30 30 PHE H H 30 7.572 7.606 -0.034 1
1 356 . 7 1 1 A 30 30 PHE HA H 30 5.360 5.407 -0.047 1
1 364 . 7 1 1 A 30 30 PHE CA C 30 55.655 56.136 -0.481 1
1 365 . 7 1 1 A 30 30 PHE CB C 30 45.053 43.207 1.846 1
1 366 . 7 1 1 A 30 30 PHE N N 30 111.166 115.000 -3.834 1
1 367 . 7 1 1 A 31 31 ILE H H 31 7.850 8.421 -0.571 1
1 368 . 7 1 1 A 31 31 ILE HA H 31 4.808 4.892 -0.084 1
1 378 . 7 1 1 A 31 31 ILE CA C 31 60.159 59.401 0.758 1
1 379 . 7 1 1 A 31 31 ILE CB C 31 39.584 41.812 -2.228 1
1 383 . 7 1 1 A 31 31 ILE N N 31 119.419 119.937 -0.518 1
1 384 . 7 1 1 A 32 32 ILE H H 32 9.095 9.034 0.061 1
1 385 . 7 1 1 A 32 32 ILE HA H 32 4.830 5.262 -0.432 1
1 395 . 7 1 1 A 32 32 ILE CA C 32 59.205 59.585 -0.380 1
1 396 . 7 1 1 A 32 32 ILE CB C 32 42.206 41.656 0.550 1
1 400 . 7 1 1 A 32 32 ILE N N 32 127.930 126.674 1.256 1
1 401 . 7 1 1 A 33 33 GLU H H 33 9.089 9.160 -0.071 1
1 402 . 7 1 1 A 33 33 GLU HA H 33 4.674 4.770 -0.096 1
1 407 . 7 1 1 A 33 33 GLU CA C 33 55.047 54.997 0.050 1
1 408 . 7 1 1 A 33 33 GLU CB C 33 31.851 31.174 0.677 1
1 410 . 7 1 1 A 33 33 GLU N N 33 128.159 126.736 1.423 1
1 411 . 7 1 1 A 34 34 GLN H H 34 8.705 9.046 -0.341 1
1 412 . 7 1 1 A 34 34 GLN HA H 34 4.362 4.204 0.158 1
1 419 . 7 1 1 A 34 34 GLN CA C 34 56.933 55.675 1.258 1
1 420 . 7 1 1 A 34 34 GLN CB C 34 30.273 28.926 1.347 1
1 422 . 7 1 1 A 34 34 GLN N N 34 128.144 125.718 2.426 1
1 424 . 7 1 1 A 35 35 ASP H H 35 8.488 8.243 0.245 1
1 425 . 7 1 1 A 35 35 ASP HA H 35 4.608 4.502 0.106 1
1 428 . 7 1 1 A 35 35 ASP CA C 35 54.124 55.921 -1.797 1
1 429 . 7 1 1 A 35 35 ASP CB C 35 41.702 40.864 0.838 1
1 430 . 7 1 1 A 35 35 ASP N N 35 122.441 118.291 4.150 1
1 431 . 7 1 1 A 36 36 GLN H H 36 8.604 8.249 0.355 1
1 432 . 7 1 1 A 36 36 GLN HA H 36 4.021 4.579 -0.558 1
1 439 . 7 1 1 A 36 36 GLN CA C 36 57.273 55.249 2.024 1
1 440 . 7 1 1 A 36 36 GLN CB C 36 29.266 30.017 -0.751 1
1 442 . 7 1 1 A 36 36 GLN N N 36 123.042 114.238 8.804 1
1 444 . 7 1 1 A 37 37 ALA H H 37 8.313 7.735 0.578 1
1 445 . 7 1 1 A 37 37 ALA HA H 37 4.212 4.071 0.141 1
1 449 . 7 1 1 A 37 37 ALA CA C 37 53.708 55.261 -1.553 1
1 450 . 7 1 1 A 37 37 ALA CB C 37 18.949 18.061 0.888 1
1 451 . 7 1 1 A 37 37 ALA N N 37 122.748 124.583 -1.835 1
1 452 . 7 1 1 A 38 38 SER H H 38 7.949 7.950 -0.001 1
1 453 . 7 1 1 A 38 38 SER HA H 38 4.285 4.391 -0.106 1
1 456 . 7 1 1 A 38 38 SER CA C 38 59.468 60.605 -1.137 1
1 457 . 7 1 1 A 38 38 SER CB C 38 63.874 63.224 0.650 1
1 458 . 7 1 1 A 38 38 SER N N 38 113.828 113.921 -0.093 1
1 459 . 7 1 1 A 39 39 LYS H H 39 8.107 7.853 0.254 1
1 460 . 7 1 1 A 39 39 LYS HA H 39 4.124 4.097 0.027 1
1 469 . 7 1 1 A 39 39 LYS CA C 39 57.821 58.795 -0.974 1
1 470 . 7 1 1 A 39 39 LYS CB C 39 32.978 32.085 0.893 1
1 474 . 7 1 1 A 39 39 LYS N N 39 122.900 122.795 0.105 1
1 475 . 7 1 1 A 40 40 ASP H H 40 8.173 8.051 0.122 1
1 476 . 7 1 1 A 40 40 ASP HA H 40 4.477 4.960 -0.483 1
1 479 . 7 1 1 A 40 40 ASP CA C 40 55.164 54.736 0.428 1
1 480 . 7 1 1 A 40 40 ASP CB C 40 41.359 42.975 -1.616 1
1 481 . 7 1 1 A 40 40 ASP N N 40 119.696 118.652 1.044 1
1 482 . 7 1 1 A 41 41 PHE H H 41 8.022 8.391 -0.369 1
1 483 . 7 1 1 A 41 41 PHE HA H 41 4.376 4.147 0.229 1
1 488 . 7 1 1 A 41 41 PHE CA C 41 59.354 61.173 -1.819 1
1 489 . 7 1 1 A 41 41 PHE CB C 41 39.414 38.678 0.736 1
1 490 . 7 1 1 A 41 41 PHE N N 41 121.310 119.850 1.460 1
1 491 . 7 1 1 A 42 42 ASN H H 42 8.247 8.398 -0.151 1
1 492 . 7 1 1 A 42 42 ASN HA H 42 4.483 4.538 -0.055 1
1 497 . 7 1 1 A 42 42 ASN CA C 42 54.383 55.884 -1.501 1
1 498 . 7 1 1 A 42 42 ASN CB C 42 38.853 37.654 1.199 1
1 499 . 7 1 1 A 42 42 ASN N N 42 119.282 116.970 2.312 1
1 501 . 7 1 1 A 43 43 ARG H H 43 8.048 7.571 0.477 1
1 502 . 7 1 1 A 43 43 ARG HA H 43 4.130 4.036 0.094 1
1 509 . 7 1 1 A 43 43 ARG CA C 43 57.429 59.837 -2.408 1
1 510 . 7 1 1 A 43 43 ARG CB C 43 30.503 29.902 0.601 1
1 513 . 7 1 1 A 43 43 ARG N N 43 121.050 119.078 1.972 1
1 514 . 7 1 1 A 44 44 SER H H 44 8.111 7.982 0.129 1
1 515 . 7 1 1 A 44 44 SER HA H 44 4.262 4.395 -0.133 1
1 518 . 7 1 1 A 44 44 SER CA C 44 59.660 60.879 -1.219 1
1 519 . 7 1 1 A 44 44 SER CB C 44 63.810 63.298 0.512 1
1 520 . 7 1 1 A 44 44 SER N N 44 115.587 117.305 -1.718 1
1 521 . 7 1 1 A 45 45 LYS H H 45 7.968 7.944 0.024 1
1 522 . 7 1 1 A 45 45 LYS HA H 45 4.132 4.086 0.046 1
1 526 . 7 1 1 A 45 45 LYS CA C 45 57.193 58.899 -1.706 1
1 527 . 7 1 1 A 45 45 LYS CB C 45 32.534 32.138 0.396 1
1 529 . 7 1 1 A 45 45 LYS N N 45 122.205 121.028 1.177 1
1 530 . 7 1 1 A 46 46 ALA H H 46 7.936 7.283 0.653 1
1 531 . 7 1 1 A 46 46 ALA HA H 46 4.179 4.208 -0.029 1
1 535 . 7 1 1 A 46 46 ALA CA C 46 53.196 54.026 -0.830 1
1 536 . 7 1 1 A 46 46 ALA CB C 46 19.279 18.359 0.920 1
1 537 . 7 1 1 A 46 46 ALA N N 46 123.430 120.918 2.512 1
1 538 . 7 1 1 A 47 47 LEU H H 47 7.873 7.839 0.034 1
1 539 . 7 1 1 A 47 47 LEU HA H 47 4.147 4.465 -0.318 1
1 549 . 7 1 1 A 47 47 LEU CA C 47 55.854 56.181 -0.327 1
1 550 . 7 1 1 A 47 47 LEU CB C 47 42.536 43.904 -1.368 1
1 554 . 7 1 1 A 47 47 LEU N N 47 119.760 116.936 2.824 1
1 555 . 7 1 1 A 48 48 PHE H H 48 7.960 7.844 0.116 1
1 556 . 7 1 1 A 48 48 PHE HA H 48 4.540 4.958 -0.418 1
1 561 . 7 1 1 A 48 48 PHE CA C 48 58.150 56.518 1.632 1
1 562 . 7 1 1 A 48 48 PHE CB C 48 39.499 40.820 -1.321 1
1 563 . 7 1 1 A 48 48 PHE N N 48 119.481 114.623 4.858 1
1 564 . 7 1 1 A 49 49 SER H H 49 8.011 8.490 -0.479 1
1 565 . 7 1 1 A 49 49 SER HA H 49 4.333 4.226 0.107 1
1 566 . 7 1 1 A 49 49 SER CA C 49 58.675 59.915 -1.240 1
1 567 . 7 1 1 A 49 49 SER N N 49 116.263 117.299 -1.036 1
1 568 . 7 1 1 A 50 50 GLN H H 50 8.252 8.603 -0.351 1
1 569 . 7 1 1 A 50 50 GLN HA H 50 4.250 3.975 0.275 1
1 576 . 7 1 1 A 50 50 GLN CA C 50 56.570 58.136 -1.566 1
1 577 . 7 1 1 A 50 50 GLN CB C 50 29.372 28.564 0.808 1
1 579 . 7 1 1 A 50 50 GLN N N 50 121.890 125.943 -4.053 1
1 581 . 7 1 1 A 51 51 SER H H 51 8.143 8.202 -0.059 1
1 582 . 7 1 1 A 51 51 SER HA H 51 4.332 4.479 -0.147 1
1 583 . 7 1 1 A 51 51 SER CA C 51 58.848 61.351 -2.503 1
1 584 . 7 1 1 A 51 51 SER N N 51 115.677 115.094 0.583 1
1 585 . 7 1 1 A 52 52 ALA H H 52 8.168 7.300 0.868 1
1 586 . 7 1 1 A 52 52 ALA HA H 52 4.261 4.352 -0.091 1
1 590 . 7 1 1 A 52 52 ALA CA C 52 53.119 52.692 0.427 1
1 591 . 7 1 1 A 52 52 ALA CB C 52 19.175 19.760 -0.585 1
1 592 . 7 1 1 A 52 52 ALA N N 52 125.354 122.325 3.029 1
1 593 . 7 1 1 A 53 53 ILE H H 53 7.858 7.483 0.375 1
1 594 . 7 1 1 A 53 53 ILE HA H 53 4.094 4.236 -0.142 1
1 604 . 7 1 1 A 53 53 ILE CA C 53 61.666 60.643 1.023 1
1 605 . 7 1 1 A 53 53 ILE CB C 53 39.015 38.902 0.113 1
1 609 . 7 1 1 A 53 53 ILE N N 53 118.218 121.407 -3.189 1
1 610 . 7 1 1 A 54 54 SER H H 54 8.152 8.426 -0.274 1
1 611 . 7 1 1 A 54 54 SER HA H 54 4.348 4.288 0.060 1
1 614 . 7 1 1 A 54 54 SER CA C 54 58.678 60.087 -1.409 1
1 615 . 7 1 1 A 54 54 SER CB C 54 64.002 64.034 -0.032 1
1 616 . 7 1 1 A 54 54 SER N N 54 118.590 119.319 -0.729 1
1 617 . 7 1 1 A 55 55 GLN H H 55 8.298 8.576 -0.278 1
1 618 . 7 1 1 A 55 55 GLN HA H 55 4.198 2.560 1.638 1
1 625 . 7 1 1 A 55 55 GLN CA C 55 56.690 57.362 -0.672 1
1 626 . 7 1 1 A 55 55 GLN CB C 55 29.393 28.163 1.230 1
1 628 . 7 1 1 A 55 55 GLN N N 55 122.154 123.409 -1.255 1
1 630 . 7 1 1 A 56 56 LYS H H 56 8.153 7.633 0.520 1
1 631 . 7 1 1 A 56 56 LYS HA H 56 4.161 4.592 -0.431 1
1 636 . 7 1 1 A 56 56 LYS CA C 56 57.174 56.718 0.456 1
1 637 . 7 1 1 A 56 56 LYS CB C 56 32.991 33.622 -0.631 1
1 639 . 7 1 1 A 56 56 LYS N N 56 121.127 115.177 5.950 1
1 640 . 7 1 1 A 57 57 GLU H H 57 8.201 8.016 0.185 1
1 641 . 7 1 1 A 57 57 GLU HA H 57 4.151 4.399 -0.248 1
1 646 . 7 1 1 A 57 57 GLU CA C 57 57.273 57.990 -0.717 1
1 647 . 7 1 1 A 57 57 GLU CB C 57 30.262 30.768 -0.506 1
1 649 . 7 1 1 A 57 57 GLU N N 57 120.626 118.117 2.509 1
1 650 . 7 1 1 A 58 58 TYR H H 58 8.057 8.452 -0.395 1
1 651 . 7 1 1 A 58 58 TYR HA H 58 4.375 4.557 -0.182 1
1 658 . 7 1 1 A 58 58 TYR CA C 58 58.721 59.131 -0.410 1
1 659 . 7 1 1 A 58 58 TYR CB C 58 39.096 37.245 1.851 1
1 660 . 7 1 1 A 58 58 TYR N N 58 120.841 118.552 2.289 1
1 661 . 7 1 1 A 59 59 ASP H H 59 8.144 8.722 -0.578 1
1 662 . 7 1 1 A 59 59 ASP HA H 59 4.493 4.125 0.368 1
1 665 . 7 1 1 A 59 59 ASP CA C 59 54.505 56.709 -2.204 1
1 666 . 7 1 1 A 59 59 ASP CB C 59 41.233 39.373 1.860 1
1 667 . 7 1 1 A 59 59 ASP N N 59 122.549 121.867 0.682 1
1 668 . 7 1 1 A 60 60 SER H H 60 8.245 7.931 0.314 1
1 669 . 7 1 1 A 60 60 SER HA H 60 4.255 4.038 0.217 1
1 670 . 7 1 1 A 60 60 SER CA C 60 59.650 61.041 -1.391 1
1 671 . 7 1 1 A 60 60 SER N N 60 117.646 115.155 2.491 1
1 672 . 7 1 1 A 61 61 SER H H 61 8.329 7.899 0.430 1
1 673 . 7 1 1 A 61 61 SER HA H 61 4.307 4.522 -0.215 1
1 676 . 7 1 1 A 61 61 SER CA C 61 59.882 58.751 1.131 1
1 677 . 7 1 1 A 61 61 SER CB C 61 63.888 64.233 -0.345 1
1 678 . 7 1 1 A 61 61 SER N N 61 118.138 114.789 3.349 1
1 679 . 7 1 1 A 62 62 LEU H H 62 7.753 7.390 0.363 1
1 680 . 7 1 1 A 62 62 LEU HA H 62 4.227 4.224 0.003 1
1 690 . 7 1 1 A 62 62 LEU CA C 62 55.640 55.192 0.448 1
1 691 . 7 1 1 A 62 62 LEU CB C 62 42.389 41.844 0.545 1
1 695 . 7 1 1 A 62 62 LEU N N 62 122.616 119.091 3.525 1
1 696 . 7 1 1 A 63 63 ALA H H 63 7.908 7.554 0.354 1
1 697 . 7 1 1 A 63 63 ALA HA H 63 4.266 4.553 -0.287 1
1 701 . 7 1 1 A 63 63 ALA CA C 63 53.071 50.669 2.402 1
1 702 . 7 1 1 A 63 63 ALA CB C 63 19.373 21.880 -2.507 1
1 703 . 7 1 1 A 63 63 ALA N N 63 123.326 118.904 4.422 1
1 704 . 7 1 1 A 64 64 THR H H 64 7.855 8.525 -0.670 1
1 705 . 7 1 1 A 64 64 THR HA H 64 4.212 4.531 -0.319 1
1 710 . 7 1 1 A 64 64 THR CA C 64 61.955 61.876 0.079 1
1 711 . 7 1 1 A 64 64 THR CB C 64 69.997 69.641 0.356 1
1 713 . 7 1 1 A 64 64 THR N N 64 112.019 112.007 0.012 1
1 714 . 7 1 1 A 65 65 LEU H H 65 7.970 8.741 -0.771 1
1 715 . 7 1 1 A 65 65 LEU HA H 65 4.290 3.991 0.299 1
1 725 . 7 1 1 A 65 65 LEU CA C 65 55.509 57.648 -2.139 1
1 726 . 7 1 1 A 65 65 LEU CB C 65 42.619 42.172 0.447 1
1 730 . 7 1 1 A 65 65 LEU N N 65 123.564 123.312 0.252 1
1 731 . 7 1 1 A 66 66 ASP H H 66 8.271 7.524 0.747 1
1 732 . 7 1 1 A 66 66 ASP HA H 66 4.538 4.797 -0.259 1
1 735 . 7 1 1 A 66 66 ASP CA C 66 54.906 53.219 1.687 1
1 736 . 7 1 1 A 66 66 ASP CB C 66 41.384 41.280 0.104 1
1 737 . 7 1 1 A 66 66 ASP N N 66 120.385 114.263 6.122 1
1 738 . 7 1 1 A 67 67 HIS H H 67 8.020 7.740 0.280 1
1 739 . 7 1 1 A 67 67 HIS HA H 67 5.236 5.447 -0.211 1
1 744 . 7 1 1 A 67 67 HIS CA C 67 55.411 54.419 0.992 1
1 745 . 7 1 1 A 67 67 HIS CB C 67 32.135 33.920 -1.785 1
1 746 . 7 1 1 A 67 67 HIS N N 67 119.214 119.064 0.150 1
1 747 . 7 1 1 A 68 68 THR H H 68 8.903 8.922 -0.019 1
1 748 . 7 1 1 A 68 68 THR HA H 68 4.474 4.945 -0.471 1
1 753 . 7 1 1 A 68 68 THR CA C 68 62.536 61.096 1.440 1
1 754 . 7 1 1 A 68 68 THR CB C 68 71.267 72.682 -1.415 1
1 756 . 7 1 1 A 68 68 THR N N 68 117.138 115.078 2.060 1
1 757 . 7 1 1 A 69 69 GLU H H 69 8.630 8.729 -0.099 1
1 758 . 7 1 1 A 69 69 GLU HA H 69 4.480 5.227 -0.747 1
1 763 . 7 1 1 A 69 69 GLU CA C 69 56.016 55.356 0.660 1
1 764 . 7 1 1 A 69 69 GLU CB C 69 31.824 32.118 -0.294 1
1 766 . 7 1 1 A 69 69 GLU N N 69 124.226 123.669 0.557 1
1 767 . 7 1 1 A 70 70 ILE H H 70 8.589 8.676 -0.087 1
1 768 . 7 1 1 A 70 70 ILE HA H 70 4.405 4.970 -0.565 1
1 778 . 7 1 1 A 70 70 ILE CA C 70 59.367 59.736 -0.369 1
1 779 . 7 1 1 A 70 70 ILE CB C 70 37.492 40.860 -3.368 1
1 783 . 7 1 1 A 70 70 ILE N N 70 123.526 121.066 2.460 1
1 784 . 7 1 1 A 71 71 LYS H H 71 8.910 8.937 -0.027 1
1 785 . 7 1 1 A 71 71 LYS HA H 71 5.070 5.005 0.065 1
1 790 . 7 1 1 A 71 71 LYS CA C 71 54.732 54.280 0.452 1
1 791 . 7 1 1 A 71 71 LYS CB C 71 36.388 36.100 0.288 1
1 793 . 7 1 1 A 71 71 LYS N N 71 128.313 124.341 3.972 1
1 794 . 7 1 1 A 72 72 ALA H H 72 8.623 8.895 -0.272 1
1 795 . 7 1 1 A 72 72 ALA HA H 72 4.060 4.290 -0.230 1
1 799 . 7 1 1 A 72 72 ALA CA C 72 50.119 51.003 -0.884 1
1 800 . 7 1 1 A 72 72 ALA CB C 72 17.261 17.686 -0.425 1
1 801 . 7 1 1 A 72 72 ALA N N 72 123.091 122.513 0.578 1
1 802 . 7 1 1 A 73 73 PRO HA H 73 4.328 4.352 -0.024 1
1 809 . 7 1 1 A 73 73 PRO CA C 73 63.731 64.312 -0.581 1
1 810 . 7 1 1 A 73 73 PRO CB C 73 32.196 31.773 0.423 1
1 813 . 7 1 1 A 74 74 PHE H H 74 6.758 6.762 -0.004 1
1 814 . 7 1 1 A 74 74 PHE HA H 74 4.414 4.839 -0.425 1
1 821 . 7 1 1 A 74 74 PHE CA C 74 54.539 56.129 -1.590 1
1 822 . 7 1 1 A 74 74 PHE CB C 74 40.862 40.415 0.447 1
1 823 . 7 1 1 A 74 74 PHE N N 74 112.045 113.280 -1.235 1
1 824 . 7 1 1 A 75 75 ASP H H 75 8.563 8.856 -0.293 1
1 825 . 7 1 1 A 75 75 ASP HA H 75 4.915 4.770 0.145 1
1 828 . 7 1 1 A 75 75 ASP CA C 75 54.108 55.492 -1.384 1
1 829 . 7 1 1 A 75 75 ASP CB C 75 41.011 41.686 -0.675 1
1 830 . 7 1 1 A 75 75 ASP N N 75 118.284 120.888 -2.604 1
1 831 . 7 1 1 A 76 76 GLY H H 76 8.340 8.301 0.039 1
1 832 . 7 1 1 A 76 76 GLY HA2 H 76 4.228 4.248 -0.020 1
1 833 . 7 1 1 A 76 76 GLY HA3 H 76 4.070 4.387 -0.317 1
1 834 . 7 1 1 A 76 76 GLY CA C 76 46.761 46.316 0.445 1
1 835 . 7 1 1 A 76 76 GLY N N 76 108.739 112.230 -3.491 1
1 836 . 7 1 1 A 77 77 THR H H 77 8.607 8.901 -0.294 1
1 837 . 7 1 1 A 77 77 THR HA H 77 4.966 5.385 -0.419 1
1 842 . 7 1 1 A 77 77 THR CA C 77 61.891 61.321 0.570 1
1 843 . 7 1 1 A 77 77 THR CB C 77 70.413 72.123 -1.710 1
1 845 . 7 1 1 A 77 77 THR N N 77 116.423 115.425 0.998 1
1 846 . 7 1 1 A 78 78 ILE H H 78 8.815 8.910 -0.095 1
1 847 . 7 1 1 A 78 78 ILE HA H 78 4.656 4.902 -0.246 1
1 857 . 7 1 1 A 78 78 ILE CA C 78 60.214 59.585 0.629 1
1 858 . 7 1 1 A 78 78 ILE CB C 78 43.110 42.281 0.829 1
1 862 . 7 1 1 A 78 78 ILE N N 78 129.313 123.045 6.268 1
1 863 . 7 1 1 A 79 79 GLY H H 79 8.052 8.871 -0.819 1
1 864 . 7 1 1 A 79 79 GLY HA2 H 79 4.394 4.152 0.242 1
1 865 . 7 1 1 A 79 79 GLY HA3 H 79 3.765 4.156 -0.391 1
1 866 . 7 1 1 A 79 79 GLY CA C 79 44.297 44.271 0.026 1
1 867 . 7 1 1 A 79 79 GLY N N 79 114.522 116.068 -1.546 1
1 868 . 7 1 1 A 80 80 ASP H H 80 7.792 8.525 -0.733 1
1 869 . 7 1 1 A 80 80 ASP HA H 80 4.706 4.591 0.115 1
1 872 . 7 1 1 A 80 80 ASP CA C 80 53.784 54.635 -0.851 1
1 873 . 7 1 1 A 80 80 ASP CB C 80 42.062 41.053 1.009 1
1 874 . 7 1 1 A 80 80 ASP N N 80 113.706 118.425 -4.719 1
1 875 . 7 1 1 A 81 81 ALA H H 81 8.552 8.732 -0.180 1
1 876 . 7 1 1 A 81 81 ALA HA H 81 4.567 4.697 -0.130 1
1 880 . 7 1 1 A 81 81 ALA CA C 81 53.345 52.906 0.439 1
1 881 . 7 1 1 A 81 81 ALA CB C 81 20.325 19.317 1.008 1
1 882 . 7 1 1 A 81 81 ALA N N 81 124.168 125.739 -1.571 1
1 883 . 7 1 1 A 82 82 LEU H H 82 8.734 9.402 -0.668 1
1 884 . 7 1 1 A 82 82 LEU HA H 82 4.338 4.743 -0.405 1
1 893 . 7 1 1 A 82 82 LEU CA C 82 55.320 54.449 0.871 1
1 894 . 7 1 1 A 82 82 LEU CB C 82 41.616 43.553 -1.937 1
1 897 . 7 1 1 A 82 82 LEU N N 82 121.830 120.519 1.311 1
1 898 . 7 1 1 A 83 83 VAL H H 83 7.136 7.667 -0.531 1
1 899 . 7 1 1 A 83 83 VAL HA H 83 4.489 4.860 -0.371 1
1 907 . 7 1 1 A 83 83 VAL CA C 83 58.552 58.691 -0.139 1
1 908 . 7 1 1 A 83 83 VAL CB C 83 35.418 36.194 -0.776 1
1 911 . 7 1 1 A 83 83 VAL N N 83 108.193 114.111 -5.918 1
1 912 . 7 1 1 A 84 84 ASN H H 84 9.073 9.075 -0.002 1
1 913 . 7 1 1 A 84 84 ASN HA H 84 4.872 5.323 -0.451 1
1 918 . 7 1 1 A 84 84 ASN CA C 84 51.417 51.419 -0.002 1
1 919 . 7 1 1 A 84 84 ASN CB C 84 42.127 43.051 -0.924 1
1 920 . 7 1 1 A 84 84 ASN N N 84 119.533 119.269 0.264 1
1 922 . 7 1 1 A 85 85 ILE H H 85 8.390 8.523 -0.133 1
1 923 . 7 1 1 A 85 85 ILE HA H 85 3.384 3.707 -0.323 1
1 933 . 7 1 1 A 85 85 ILE CA C 85 63.985 64.079 -0.094 1
1 934 . 7 1 1 A 85 85 ILE CB C 85 37.368 37.311 0.057 1
1 938 . 7 1 1 A 85 85 ILE N N 85 119.414 122.169 -2.755 1
1 939 . 7 1 1 A 86 86 GLY H H 86 9.229 8.827 0.402 1
1 940 . 7 1 1 A 86 86 GLY HA2 H 86 4.392 4.079 0.313 1
1 941 . 7 1 1 A 86 86 GLY HA3 H 86 3.412 4.086 -0.674 1
1 942 . 7 1 1 A 86 86 GLY CA C 86 44.946 44.896 0.050 1
1 943 . 7 1 1 A 86 86 GLY N N 86 117.337 115.568 1.769 1
1 944 . 7 1 1 A 87 87 ASP H H 87 7.956 8.267 -0.311 1
1 945 . 7 1 1 A 87 87 ASP HA H 87 4.599 4.698 -0.099 1
1 948 . 7 1 1 A 87 87 ASP CA C 87 55.055 54.931 0.124 1
1 949 . 7 1 1 A 87 87 ASP CB C 87 40.978 41.191 -0.213 1
1 950 . 7 1 1 A 87 87 ASP N N 87 121.511 121.837 -0.326 1
1 951 . 7 1 1 A 88 88 TYR H H 88 8.545 8.929 -0.384 1
1 952 . 7 1 1 A 88 88 TYR HA H 88 4.718 4.800 -0.082 1
1 959 . 7 1 1 A 88 88 TYR CA C 88 57.954 59.725 -1.771 1
1 960 . 7 1 1 A 88 88 TYR CB C 88 39.411 39.323 0.088 1
1 961 . 7 1 1 A 88 88 TYR N N 88 122.327 126.167 -3.840 1
1 962 . 7 1 1 A 89 89 VAL H H 89 8.937 8.478 0.459 1
1 963 . 7 1 1 A 89 89 VAL HA H 89 4.565 4.609 -0.044 1
1 971 . 7 1 1 A 89 89 VAL CA C 89 58.580 59.083 -0.503 1
1 972 . 7 1 1 A 89 89 VAL CB C 89 34.504 36.027 -1.523 1
1 975 . 7 1 1 A 89 89 VAL N N 89 121.838 121.065 0.773 1
1 976 . 7 1 1 A 90 90 SER H H 90 8.761 8.472 0.289 1
1 977 . 7 1 1 A 90 90 SER HA H 90 4.562 5.012 -0.450 1
1 980 . 7 1 1 A 90 90 SER CA C 90 56.974 55.904 1.070 1
1 981 . 7 1 1 A 90 90 SER CB C 90 65.027 65.373 -0.346 1
1 982 . 7 1 1 A 90 90 SER N N 90 114.806 116.262 -1.456 1
1 983 . 7 1 1 A 91 91 ALA H H 91 8.692 8.969 -0.277 1
1 984 . 7 1 1 A 91 91 ALA HA H 91 3.505 4.058 -0.553 1
1 988 . 7 1 1 A 91 91 ALA CA C 91 53.471 54.809 -1.338 1
1 989 . 7 1 1 A 91 91 ALA CB C 91 18.719 18.397 0.322 1
1 990 . 7 1 1 A 91 91 ALA N N 91 129.873 129.553 0.320 1
1 991 . 7 1 1 A 92 92 SER H H 92 9.156 7.866 1.290 1
1 992 . 7 1 1 A 92 92 SER HA H 92 3.804 4.629 -0.825 1
1 995 . 7 1 1 A 92 92 SER CA C 92 60.827 57.319 3.508 1
1 996 . 7 1 1 A 92 92 SER CB C 92 62.630 64.563 -1.933 1
1 997 . 7 1 1 A 92 92 SER N N 92 113.297 108.375 4.922 1
1 998 . 7 1 1 A 93 93 THR H H 93 7.806 7.578 0.228 1
1 999 . 7 1 1 A 93 93 THR HA H 93 4.387 4.406 -0.019 1
1 1004 . 7 1 1 A 93 93 THR CA C 93 64.607 63.356 1.251 1
1 1005 . 7 1 1 A 93 93 THR CB C 93 71.127 70.138 0.989 1
1 1007 . 7 1 1 A 93 93 THR N N 93 113.896 115.187 -1.291 1
1 1008 . 7 1 1 A 94 94 THR H H 94 7.691 7.606 0.085 1
1 1009 . 7 1 1 A 94 94 THR HA H 94 3.899 4.456 -0.557 1
1 1014 . 7 1 1 A 94 94 THR CA C 94 65.258 62.482 2.776 1
1 1015 . 7 1 1 A 94 94 THR CB C 94 70.283 71.087 -0.804 1
1 1017 . 7 1 1 A 94 94 THR N N 94 119.603 111.084 8.519 1
1 1018 . 7 1 1 A 95 95 GLU H H 95 8.389 7.960 0.429 1
1 1019 . 7 1 1 A 95 95 GLU HA H 95 3.793 4.144 -0.351 1
1 1024 . 7 1 1 A 95 95 GLU CA C 95 56.783 57.648 -0.865 1
1 1025 . 7 1 1 A 95 95 GLU CB C 95 29.777 28.472 1.305 1
1 1027 . 7 1 1 A 95 95 GLU N N 95 124.816 117.920 6.896 1
1 1028 . 7 1 1 A 96 96 LEU H H 96 8.735 8.232 0.503 1
1 1029 . 7 1 1 A 96 96 LEU HA H 96 4.249 4.253 -0.004 1
1 1039 . 7 1 1 A 96 96 LEU CA C 96 57.071 55.648 1.423 1
1 1040 . 7 1 1 A 96 96 LEU CB C 96 43.517 42.313 1.204 1
1 1044 . 7 1 1 A 96 96 LEU N N 96 120.104 125.425 -5.321 1
1 1045 . 7 1 1 A 97 97 VAL H H 97 7.049 7.305 -0.256 1
1 1046 . 7 1 1 A 97 97 VAL HA H 97 4.334 4.340 -0.006 1
1 1054 . 7 1 1 A 97 97 VAL CA C 97 61.411 60.877 0.534 1
1 1055 . 7 1 1 A 97 97 VAL CB C 97 31.724 33.977 -2.253 1
1 1058 . 7 1 1 A 97 97 VAL N N 97 112.399 114.280 -1.881 1
1 1059 . 7 1 1 A 98 98 ARG H H 98 8.968 8.563 0.405 1
1 1060 . 7 1 1 A 98 98 ARG HA H 98 5.255 5.269 -0.014 1
1 1067 . 7 1 1 A 98 98 ARG CA C 98 55.391 54.441 0.950 1
1 1068 . 7 1 1 A 98 98 ARG CB C 98 32.925 33.634 -0.709 1
1 1071 . 7 1 1 A 98 98 ARG N N 98 127.489 121.745 5.744 1
1 1072 . 7 1 1 A 99 99 VAL H H 99 8.884 8.716 0.168 1
1 1073 . 7 1 1 A 99 99 VAL HA H 99 4.554 4.878 -0.324 1
1 1078 . 7 1 1 A 99 99 VAL CA C 99 60.996 61.224 -0.228 1
1 1079 . 7 1 1 A 99 99 VAL CB C 99 34.358 34.658 -0.300 1
1 1081 . 7 1 1 A 99 99 VAL N N 99 122.863 122.392 0.471 1
1 1082 . 7 1 1 A 100 100 THR H H 100 8.823 9.286 -0.463 1
1 1083 . 7 1 1 A 100 100 THR HA H 100 4.552 4.983 -0.431 1
1 1088 . 7 1 1 A 100 100 THR CA C 100 61.105 60.723 0.382 1
1 1089 . 7 1 1 A 100 100 THR CB C 100 70.859 71.327 -0.468 1
1 1091 . 7 1 1 A 100 100 THR N N 100 121.813 122.673 -0.860 1
1 1092 . 7 1 1 A 101 101 ASN H H 101 8.146 9.016 -0.870 1
1 1093 . 7 1 1 A 101 101 ASN HA H 101 4.505 4.875 -0.370 1
1 1098 . 7 1 1 A 101 101 ASN CA C 101 54.283 53.528 0.755 1
1 1099 . 7 1 1 A 101 101 ASN CB C 101 38.631 38.733 -0.102 1
1 1100 . 7 1 1 A 101 101 ASN N N 101 122.582 128.989 -6.407 1
1 1102 . 7 1 1 A 102 102 LEU H H 102 8.154 8.499 -0.345 1
1 1103 . 7 1 1 A 102 102 LEU HA H 102 4.236 4.355 -0.119 1
1 1113 . 7 1 1 A 102 102 LEU CA C 102 55.618 54.385 1.233 1
1 1114 . 7 1 1 A 102 102 LEU CB C 102 42.842 42.358 0.484 1
1 1118 . 7 1 1 A 102 102 LEU N N 102 122.572 125.007 -2.435 1
1 1119 . 7 1 1 A 103 103 ASN H H 103 8.393 8.612 -0.219 1
1 1120 . 7 1 1 A 103 103 ASN HA H 103 4.862 4.714 0.148 1
1 1125 . 7 1 1 A 103 103 ASN CA C 103 51.431 51.819 -0.388 1
1 1126 . 7 1 1 A 103 103 ASN CB C 103 39.172 37.723 1.449 1
1 1127 . 7 1 1 A 103 103 ASN N N 103 120.155 119.056 1.099 1
1 1129 . 7 1 1 A 104 104 PRO HA H 104 4.224 4.456 -0.232 1
1 1136 . 7 1 1 A 104 104 PRO CA C 104 63.636 63.978 -0.342 1
1 1137 . 7 1 1 A 104 104 PRO CB C 104 32.301 32.208 0.093 1
1 1140 . 7 1 1 A 105 105 ILE H H 105 7.870 8.298 -0.428 1
1 1141 . 7 1 1 A 105 105 ILE HA H 105 3.934 4.018 -0.084 1
1 1151 . 7 1 1 A 105 105 ILE CA C 105 61.566 63.119 -1.553 1
1 1152 . 7 1 1 A 105 105 ILE CB C 105 38.723 37.648 1.075 1
1 1156 . 7 1 1 A 105 105 ILE N N 105 119.425 117.364 2.061 1
1 1157 . 7 1 1 A 106 106 TYR H H 106 7.945 7.377 0.568 1
1 1158 . 7 1 1 A 106 106 TYR HA H 106 4.529 4.804 -0.275 1
1 1165 . 7 1 1 A 106 106 TYR CA C 106 57.548 57.260 0.288 1
1 1166 . 7 1 1 A 106 106 TYR CB C 106 39.048 40.794 -1.746 1
1 1167 . 7 1 1 A 106 106 TYR N N 106 123.138 118.707 4.431 1
1 1168 . 7 1 1 A 107 107 ALA H H 107 8.113 7.932 0.181 1
1 1169 . 7 1 1 A 107 107 ALA HA H 107 4.213 3.975 0.238 1
1 1173 . 7 1 1 A 107 107 ALA CA C 107 52.847 53.909 -1.062 1
1 1174 . 7 1 1 A 107 107 ALA CB C 107 19.450 18.304 1.146 1
1 1175 . 7 1 1 A 107 107 ALA N N 107 125.476 123.601 1.875 1
1 1176 . 7 1 1 A 108 108 ASP H H 108 8.140 7.994 0.146 1
1 1177 . 7 1 1 A 108 108 ASP HA H 108 4.502 4.851 -0.349 1
1 1180 . 7 1 1 A 108 108 ASP CA C 108 54.515 53.143 1.372 1
1 1181 . 7 1 1 A 108 108 ASP CB C 108 41.436 42.078 -0.642 1
1 1182 . 7 1 1 A 108 108 ASP N N 108 119.275 117.856 1.419 1
1 1183 . 7 1 1 A 109 109 GLY H H 109 8.304 7.980 0.324 1
1 1184 . 7 1 1 A 109 109 GLY HA2 H 109 3.930 4.056 -0.126 1
1 1185 . 7 1 1 A 109 109 GLY HA3 H 109 3.844 4.064 -0.220 1
1 1186 . 7 1 1 A 109 109 GLY CA C 109 45.809 44.539 1.270 1
1 1187 . 7 1 1 A 109 109 GLY N N 109 109.463 108.932 0.531 1
1 1188 . 7 1 1 A 110 110 SER H H 110 8.169 8.585 -0.416 1
1 1189 . 7 1 1 A 110 110 SER HA H 110 4.263 4.893 -0.630 1
1 1190 . 7 1 1 A 110 110 SER CA C 110 59.017 56.685 2.332 1
1 1191 . 7 1 1 A 110 110 SER N N 110 115.630 114.945 0.685 1
1 1192 . 7 1 1 A 111 111 HIS HA H 111 4.522 4.554 -0.032 1
1 1195 . 7 1 1 A 111 111 HIS CA C 111 56.269 58.231 -1.962 1
1 1196 . 7 1 1 A 111 111 HIS CB C 111 30.558 29.828 0.730 1
1 1197 . 7 1 1 A 112 112 HIS HA H 112 4.341 4.753 -0.412 1
1 1200 . 7 1 1 A 112 112 HIS CA C 112 57.660 54.443 3.217 1
1 2 . 8 1 1 A 2 2 VAL H H 2 8.608 8.424 0.184 1
1 3 . 8 1 1 A 2 2 VAL HA H 2 4.472 4.834 -0.362 1
1 11 . 8 1 1 A 2 2 VAL CA C 2 61.161 59.554 1.607 1
1 12 . 8 1 1 A 2 2 VAL CB C 2 35.825 35.897 -0.072 1
1 15 . 8 1 1 A 2 2 VAL N N 2 117.995 121.526 -3.531 1
1 16 . 8 1 1 A 3 3 ILE H H 3 8.424 8.850 -0.426 1
1 17 . 8 1 1 A 3 3 ILE HA H 3 4.489 4.703 -0.214 1
1 27 . 8 1 1 A 3 3 ILE CA C 3 60.273 60.034 0.239 1
1 28 . 8 1 1 A 3 3 ILE CB C 3 38.595 39.848 -1.253 1
1 32 . 8 1 1 A 3 3 ILE N N 3 125.647 123.229 2.418 1
1 33 . 8 1 1 A 4 4 ILE H H 4 8.531 8.945 -0.414 1
1 34 . 8 1 1 A 4 4 ILE HA H 4 3.990 4.207 -0.217 1
1 44 . 8 1 1 A 4 4 ILE CA C 4 61.656 61.861 -0.205 1
1 45 . 8 1 1 A 4 4 ILE CB C 4 38.183 38.455 -0.272 1
1 49 . 8 1 1 A 4 4 ILE N N 4 127.472 130.330 -2.858 1
1 50 . 8 1 1 A 5 5 LYS H H 5 8.277 8.814 -0.537 1
1 51 . 8 1 1 A 5 5 LYS HA H 5 5.164 4.696 0.468 1
1 60 . 8 1 1 A 5 5 LYS CA C 5 53.440 52.897 0.543 1
1 61 . 8 1 1 A 5 5 LYS CB C 5 33.808 35.366 -1.558 1
1 65 . 8 1 1 A 5 5 LYS N N 5 126.697 125.929 0.768 1
1 66 . 8 1 1 A 6 6 PRO HA H 6 4.370 4.658 -0.288 1
1 73 . 8 1 1 A 6 6 PRO CA C 6 62.493 62.227 0.266 1
1 74 . 8 1 1 A 6 6 PRO CB C 6 32.091 32.569 -0.478 1
1 77 . 8 1 1 A 7 7 GLN H H 7 9.334 8.328 1.006 1
1 78 . 8 1 1 A 7 7 GLN HA H 7 4.348 4.114 0.234 1
1 85 . 8 1 1 A 7 7 GLN CA C 7 56.384 56.798 -0.414 1
1 86 . 8 1 1 A 7 7 GLN CB C 7 28.934 28.530 0.404 1
1 88 . 8 1 1 A 7 7 GLN N N 7 119.944 118.909 1.035 1
1 90 . 8 1 1 A 8 8 VAL H H 8 7.021 7.301 -0.280 1
1 91 . 8 1 1 A 8 8 VAL HA H 8 4.476 4.857 -0.381 1
1 99 . 8 1 1 A 8 8 VAL CA C 8 58.999 58.850 0.149 1
1 100 . 8 1 1 A 8 8 VAL CB C 8 35.347 35.758 -0.411 1
1 103 . 8 1 1 A 8 8 VAL N N 8 111.118 114.940 -3.822 1
1 104 . 8 1 1 A 9 9 SER H H 9 8.155 8.610 -0.455 1
1 105 . 8 1 1 A 9 9 SER HA H 9 4.945 4.652 0.293 1
1 108 . 8 1 1 A 9 9 SER CA C 9 56.704 57.910 -1.206 1
1 109 . 8 1 1 A 9 9 SER CB C 9 64.645 64.773 -0.128 1
1 110 . 8 1 1 A 9 9 SER N N 9 114.983 117.636 -2.653 1
1 111 . 8 1 1 A 10 10 GLY H H 10 7.981 8.246 -0.265 1
1 112 . 8 1 1 A 10 10 GLY HA2 H 10 4.416 4.227 0.189 1
1 113 . 8 1 1 A 10 10 GLY HA3 H 10 3.643 4.318 -0.675 1
1 114 . 8 1 1 A 10 10 GLY CA C 10 45.433 45.270 0.163 1
1 115 . 8 1 1 A 10 10 GLY N N 10 108.602 107.296 1.306 1
1 116 . 8 1 1 A 11 11 VAL H H 11 8.018 8.653 -0.635 1
1 117 . 8 1 1 A 11 11 VAL HA H 11 4.740 5.224 -0.484 1
1 125 . 8 1 1 A 11 11 VAL CA C 11 60.580 59.071 1.509 1
1 126 . 8 1 1 A 11 11 VAL CB C 11 35.124 35.625 -0.501 1
1 129 . 8 1 1 A 11 11 VAL N N 11 118.346 117.631 0.715 1
1 130 . 8 1 1 A 12 12 ILE H H 12 8.452 8.860 -0.408 1
1 131 . 8 1 1 A 12 12 ILE HA H 12 4.042 4.278 -0.236 1
1 141 . 8 1 1 A 12 12 ILE CA C 12 60.400 62.376 -1.976 1
1 142 . 8 1 1 A 12 12 ILE CB C 12 35.725 38.056 -2.331 1
1 146 . 8 1 1 A 12 12 ILE N N 12 125.267 125.065 0.202 1
1 147 . 8 1 1 A 13 13 VAL H H 13 8.900 9.358 -0.458 1
1 148 . 8 1 1 A 13 13 VAL HA H 13 4.492 4.301 0.191 1
1 156 . 8 1 1 A 13 13 VAL CA C 13 62.168 63.304 -1.136 1
1 157 . 8 1 1 A 13 13 VAL CB C 13 33.406 33.695 -0.289 1
1 160 . 8 1 1 A 13 13 VAL N N 13 124.539 125.900 -1.361 1
1 161 . 8 1 1 A 14 14 ASN H H 14 7.649 7.423 0.226 1
1 162 . 8 1 1 A 14 14 ASN HA H 14 4.805 5.210 -0.405 1
1 167 . 8 1 1 A 14 14 ASN CA C 14 52.950 52.274 0.676 1
1 168 . 8 1 1 A 14 14 ASN CB C 14 42.149 42.030 0.119 1
1 169 . 8 1 1 A 14 14 ASN N N 14 115.008 116.803 -1.795 1
1 171 . 8 1 1 A 15 15 LYS H H 15 8.393 8.583 -0.190 1
1 172 . 8 1 1 A 15 15 LYS HA H 15 4.640 4.663 -0.023 1
1 179 . 8 1 1 A 15 15 LYS CA C 15 55.987 54.868 1.119 1
1 180 . 8 1 1 A 15 15 LYS CB C 15 35.412 33.332 2.080 1
1 183 . 8 1 1 A 15 15 LYS N N 15 123.820 122.394 1.426 1
1 184 . 8 1 1 A 16 16 LEU H H 16 8.015 8.430 -0.415 1
1 185 . 8 1 1 A 16 16 LEU HA H 16 4.983 3.875 1.108 1
1 195 . 8 1 1 A 16 16 LEU CA C 16 55.202 57.819 -2.617 1
1 196 . 8 1 1 A 16 16 LEU CB C 16 41.471 42.054 -0.583 1
1 200 . 8 1 1 A 16 16 LEU N N 16 126.200 126.405 -0.205 1
1 201 . 8 1 1 A 17 17 PHE H H 17 6.522 7.274 -0.752 1
1 202 . 8 1 1 A 17 17 PHE HA H 17 4.858 4.445 0.413 1
1 210 . 8 1 1 A 17 17 PHE CA C 17 55.675 56.283 -0.608 1
1 211 . 8 1 1 A 17 17 PHE CB C 17 41.329 40.215 1.114 1
1 212 . 8 1 1 A 17 17 PHE N N 17 113.650 116.290 -2.640 1
1 213 . 8 1 1 A 18 18 LYS H H 18 8.648 8.844 -0.196 1
1 214 . 8 1 1 A 18 18 LYS HA H 18 4.325 4.506 -0.181 1
1 223 . 8 1 1 A 18 18 LYS CA C 18 54.442 53.961 0.481 1
1 224 . 8 1 1 A 18 18 LYS CB C 18 35.233 35.705 -0.472 1
1 228 . 8 1 1 A 18 18 LYS N N 18 120.586 118.127 2.459 1
1 229 . 8 1 1 A 19 19 ALA H H 19 8.396 8.347 0.049 1
1 230 . 8 1 1 A 19 19 ALA HA H 19 3.956 4.239 -0.283 1
1 234 . 8 1 1 A 19 19 ALA CA C 19 54.151 53.205 0.946 1
1 235 . 8 1 1 A 19 19 ALA CB C 19 18.681 18.177 0.504 1
1 236 . 8 1 1 A 19 19 ALA N N 19 123.901 127.110 -3.209 1
1 237 . 8 1 1 A 20 20 GLY H H 20 8.806 8.539 0.267 1
1 238 . 8 1 1 A 20 20 GLY HA2 H 20 4.299 4.051 0.248 1
1 239 . 8 1 1 A 20 20 GLY HA3 H 20 3.523 4.073 -0.550 1
1 240 . 8 1 1 A 20 20 GLY CA C 20 45.190 45.101 0.089 1
1 241 . 8 1 1 A 20 20 GLY N N 20 112.460 111.557 0.903 1
1 242 . 8 1 1 A 21 21 ASP H H 21 7.923 7.909 0.014 1
1 243 . 8 1 1 A 21 21 ASP HA H 21 4.489 4.870 -0.381 1
1 246 . 8 1 1 A 21 21 ASP CA C 21 55.477 52.812 2.665 1
1 247 . 8 1 1 A 21 21 ASP CB C 21 41.593 42.739 -1.146 1
1 248 . 8 1 1 A 21 21 ASP N N 21 121.531 122.064 -0.533 1
1 249 . 8 1 1 A 22 22 LYS H H 22 8.292 8.567 -0.275 1
1 250 . 8 1 1 A 22 22 LYS HA H 22 4.861 4.759 0.102 1
1 259 . 8 1 1 A 22 22 LYS CA C 22 55.789 55.987 -0.198 1
1 260 . 8 1 1 A 22 22 LYS CB C 22 31.948 34.383 -2.435 1
1 264 . 8 1 1 A 22 22 LYS N N 22 120.223 120.718 -0.495 1
1 265 . 8 1 1 A 23 23 VAL H H 23 8.929 8.932 -0.003 1
1 266 . 8 1 1 A 23 23 VAL HA H 23 4.828 5.111 -0.283 1
1 274 . 8 1 1 A 23 23 VAL CA C 23 58.619 59.107 -0.488 1
1 275 . 8 1 1 A 23 23 VAL CB C 23 34.776 35.468 -0.692 1
1 278 . 8 1 1 A 23 23 VAL N N 23 117.770 118.844 -1.074 1
1 279 . 8 1 1 A 24 24 LYS H H 24 7.952 8.291 -0.339 1
1 280 . 8 1 1 A 24 24 LYS HA H 24 4.828 4.411 0.417 1
1 289 . 8 1 1 A 24 24 LYS CA C 24 53.316 55.568 -2.252 1
1 290 . 8 1 1 A 24 24 LYS CB C 24 35.370 33.591 1.779 1
1 294 . 8 1 1 A 24 24 LYS N N 24 121.890 125.244 -3.354 1
1 295 . 8 1 1 A 25 25 LYS H H 25 8.903 8.564 0.339 1
1 296 . 8 1 1 A 25 25 LYS HA H 25 3.152 4.379 -1.227 1
1 304 . 8 1 1 A 25 25 LYS CA C 25 58.780 56.019 2.761 1
1 305 . 8 1 1 A 25 25 LYS CB C 25 32.788 31.665 1.123 1
1 309 . 8 1 1 A 25 25 LYS N N 25 121.717 122.549 -0.832 1
1 310 . 8 1 1 A 26 26 GLY H H 26 8.887 8.374 0.513 1
1 311 . 8 1 1 A 26 26 GLY HA2 H 26 4.277 3.991 0.286 1
1 312 . 8 1 1 A 26 26 GLY HA3 H 26 3.462 4.029 -0.567 1
1 313 . 8 1 1 A 26 26 GLY CA C 26 45.387 44.982 0.405 1
1 314 . 8 1 1 A 26 26 GLY N N 26 115.271 106.804 8.467 1
1 315 . 8 1 1 A 27 27 GLN H H 27 8.423 7.618 0.805 1
1 316 . 8 1 1 A 27 27 GLN HA H 27 4.134 4.329 -0.195 1
1 323 . 8 1 1 A 27 27 GLN CA C 27 56.461 56.137 0.324 1
1 324 . 8 1 1 A 27 27 GLN CB C 27 30.655 29.003 1.652 1
1 326 . 8 1 1 A 27 27 GLN N N 27 123.160 119.987 3.173 1
1 328 . 8 1 1 A 28 28 THR H H 28 9.094 8.806 0.288 1
1 329 . 8 1 1 A 28 28 THR HA H 28 3.884 4.174 -0.290 1
1 334 . 8 1 1 A 28 28 THR CA C 28 66.017 64.232 1.785 1
1 335 . 8 1 1 A 28 28 THR CB C 28 68.577 69.049 -0.472 1
1 337 . 8 1 1 A 28 28 THR N N 28 124.723 117.997 6.726 1
1 338 . 8 1 1 A 29 29 LEU H H 29 9.499 9.316 0.183 1
1 339 . 8 1 1 A 29 29 LEU HA H 29 4.373 4.375 -0.002 1
1 349 . 8 1 1 A 29 29 LEU CA C 29 55.960 55.665 0.295 1
1 350 . 8 1 1 A 29 29 LEU CB C 29 44.601 43.105 1.496 1
1 354 . 8 1 1 A 29 29 LEU N N 29 125.894 127.127 -1.233 1
1 355 . 8 1 1 A 30 30 PHE H H 30 7.572 7.623 -0.051 1
1 356 . 8 1 1 A 30 30 PHE HA H 30 5.360 5.440 -0.080 1
1 364 . 8 1 1 A 30 30 PHE CA C 30 55.655 56.000 -0.345 1
1 365 . 8 1 1 A 30 30 PHE CB C 30 45.053 43.206 1.847 1
1 366 . 8 1 1 A 30 30 PHE N N 30 111.166 114.603 -3.437 1
1 367 . 8 1 1 A 31 31 ILE H H 31 7.850 8.383 -0.533 1
1 368 . 8 1 1 A 31 31 ILE HA H 31 4.808 4.964 -0.156 1
1 378 . 8 1 1 A 31 31 ILE CA C 31 60.159 59.034 1.125 1
1 379 . 8 1 1 A 31 31 ILE CB C 31 39.584 41.722 -2.138 1
1 383 . 8 1 1 A 31 31 ILE N N 31 119.419 119.633 -0.214 1
1 384 . 8 1 1 A 32 32 ILE H H 32 9.095 9.012 0.083 1
1 385 . 8 1 1 A 32 32 ILE HA H 32 4.830 5.299 -0.469 1
1 395 . 8 1 1 A 32 32 ILE CA C 32 59.205 59.727 -0.522 1
1 396 . 8 1 1 A 32 32 ILE CB C 32 42.206 41.570 0.636 1
1 400 . 8 1 1 A 32 32 ILE N N 32 127.930 126.423 1.507 1
1 401 . 8 1 1 A 33 33 GLU H H 33 9.089 9.301 -0.212 1
1 402 . 8 1 1 A 33 33 GLU HA H 33 4.674 5.031 -0.357 1
1 407 . 8 1 1 A 33 33 GLU CA C 33 55.047 54.796 0.251 1
1 408 . 8 1 1 A 33 33 GLU CB C 33 31.851 31.782 0.069 1
1 410 . 8 1 1 A 33 33 GLU N N 33 128.159 125.680 2.479 1
1 411 . 8 1 1 A 34 34 GLN H H 34 8.705 9.006 -0.301 1
1 412 . 8 1 1 A 34 34 GLN HA H 34 4.362 4.138 0.224 1
1 419 . 8 1 1 A 34 34 GLN CA C 34 56.933 56.072 0.861 1
1 420 . 8 1 1 A 34 34 GLN CB C 34 30.273 28.840 1.433 1
1 422 . 8 1 1 A 34 34 GLN N N 34 128.144 125.833 2.311 1
1 424 . 8 1 1 A 35 35 ASP H H 35 8.488 7.738 0.750 1
1 425 . 8 1 1 A 35 35 ASP HA H 35 4.608 4.316 0.292 1
1 428 . 8 1 1 A 35 35 ASP CA C 35 54.124 55.454 -1.330 1
1 429 . 8 1 1 A 35 35 ASP CB C 35 41.702 40.099 1.603 1
1 430 . 8 1 1 A 35 35 ASP N N 35 122.441 118.422 4.019 1
1 431 . 8 1 1 A 36 36 GLN H H 36 8.604 8.553 0.051 1
1 432 . 8 1 1 A 36 36 GLN HA H 36 4.021 4.055 -0.034 1
1 439 . 8 1 1 A 36 36 GLN CA C 36 57.273 56.684 0.589 1
1 440 . 8 1 1 A 36 36 GLN CB C 36 29.266 26.461 2.805 1
1 442 . 8 1 1 A 36 36 GLN N N 36 123.042 116.405 6.637 1
1 444 . 8 1 1 A 37 37 ALA H H 37 8.313 7.946 0.367 1
1 445 . 8 1 1 A 37 37 ALA HA H 37 4.212 4.111 0.101 1
1 449 . 8 1 1 A 37 37 ALA CA C 37 53.708 55.117 -1.409 1
1 450 . 8 1 1 A 37 37 ALA CB C 37 18.949 18.226 0.723 1
1 451 . 8 1 1 A 37 37 ALA N N 37 122.748 123.786 -1.038 1
1 452 . 8 1 1 A 38 38 SER H H 38 7.949 8.105 -0.156 1
1 453 . 8 1 1 A 38 38 SER HA H 38 4.285 4.227 0.058 1
1 456 . 8 1 1 A 38 38 SER CA C 38 59.468 61.628 -2.160 1
1 457 . 8 1 1 A 38 38 SER CB C 38 63.874 62.892 0.982 1
1 458 . 8 1 1 A 38 38 SER N N 38 113.828 113.410 0.418 1
1 459 . 8 1 1 A 39 39 LYS H H 39 8.107 7.848 0.259 1
1 460 . 8 1 1 A 39 39 LYS HA H 39 4.124 4.157 -0.033 1
1 469 . 8 1 1 A 39 39 LYS CA C 39 57.821 58.274 -0.453 1
1 470 . 8 1 1 A 39 39 LYS CB C 39 32.978 32.335 0.643 1
1 474 . 8 1 1 A 39 39 LYS N N 39 122.900 121.380 1.520 1
1 475 . 8 1 1 A 40 40 ASP H H 40 8.173 7.851 0.322 1
1 476 . 8 1 1 A 40 40 ASP HA H 40 4.477 4.883 -0.406 1
1 479 . 8 1 1 A 40 40 ASP CA C 40 55.164 55.612 -0.448 1
1 480 . 8 1 1 A 40 40 ASP CB C 40 41.359 42.333 -0.974 1
1 481 . 8 1 1 A 40 40 ASP N N 40 119.696 119.946 -0.250 1
1 482 . 8 1 1 A 41 41 PHE H H 41 8.022 8.427 -0.405 1
1 483 . 8 1 1 A 41 41 PHE HA H 41 4.376 4.030 0.346 1
1 488 . 8 1 1 A 41 41 PHE CA C 41 59.354 60.679 -1.325 1
1 489 . 8 1 1 A 41 41 PHE CB C 41 39.414 39.411 0.003 1
1 490 . 8 1 1 A 41 41 PHE N N 41 121.310 120.521 0.789 1
1 491 . 8 1 1 A 42 42 ASN H H 42 8.247 8.596 -0.349 1
1 492 . 8 1 1 A 42 42 ASN HA H 42 4.483 4.377 0.106 1
1 497 . 8 1 1 A 42 42 ASN CA C 42 54.383 56.448 -2.065 1
1 498 . 8 1 1 A 42 42 ASN CB C 42 38.853 38.727 0.126 1
1 499 . 8 1 1 A 42 42 ASN N N 42 119.282 117.394 1.888 1
1 501 . 8 1 1 A 43 43 ARG H H 43 8.048 8.148 -0.100 1
1 502 . 8 1 1 A 43 43 ARG HA H 43 4.130 3.984 0.146 1
1 509 . 8 1 1 A 43 43 ARG CA C 43 57.429 59.942 -2.513 1
1 510 . 8 1 1 A 43 43 ARG CB C 43 30.503 29.802 0.701 1
1 513 . 8 1 1 A 43 43 ARG N N 43 121.050 119.170 1.880 1
1 514 . 8 1 1 A 44 44 SER H H 44 8.111 8.168 -0.057 1
1 515 . 8 1 1 A 44 44 SER HA H 44 4.262 4.148 0.114 1
1 518 . 8 1 1 A 44 44 SER CA C 44 59.660 61.319 -1.659 1
1 519 . 8 1 1 A 44 44 SER CB C 44 63.810 62.652 1.158 1
1 520 . 8 1 1 A 44 44 SER N N 44 115.587 114.000 1.587 1
1 521 . 8 1 1 A 45 45 LYS H H 45 7.968 7.451 0.517 1
1 522 . 8 1 1 A 45 45 LYS HA H 45 4.132 4.292 -0.160 1
1 526 . 8 1 1 A 45 45 LYS CA C 45 57.193 56.318 0.875 1
1 527 . 8 1 1 A 45 45 LYS CB C 45 32.534 32.883 -0.349 1
1 529 . 8 1 1 A 45 45 LYS N N 45 122.205 119.032 3.173 1
1 530 . 8 1 1 A 46 46 ALA H H 46 7.936 7.964 -0.028 1
1 531 . 8 1 1 A 46 46 ALA HA H 46 4.179 4.544 -0.365 1
1 535 . 8 1 1 A 46 46 ALA CA C 46 53.196 51.136 2.060 1
1 536 . 8 1 1 A 46 46 ALA CB C 46 19.279 19.844 -0.565 1
1 537 . 8 1 1 A 46 46 ALA N N 46 123.430 121.705 1.725 1
1 538 . 8 1 1 A 47 47 LEU H H 47 7.873 7.352 0.521 1
1 539 . 8 1 1 A 47 47 LEU HA H 47 4.147 4.192 -0.045 1
1 549 . 8 1 1 A 47 47 LEU CA C 47 55.854 55.077 0.777 1
1 550 . 8 1 1 A 47 47 LEU CB C 47 42.536 42.730 -0.194 1
1 554 . 8 1 1 A 47 47 LEU N N 47 119.760 119.989 -0.229 1
1 555 . 8 1 1 A 48 48 PHE H H 48 7.960 8.237 -0.277 1
1 556 . 8 1 1 A 48 48 PHE HA H 48 4.540 3.991 0.549 1
1 561 . 8 1 1 A 48 48 PHE CA C 48 58.150 58.426 -0.276 1
1 562 . 8 1 1 A 48 48 PHE CB C 48 39.499 36.563 2.936 1
1 563 . 8 1 1 A 48 48 PHE N N 48 119.481 116.878 2.603 1
1 564 . 8 1 1 A 49 49 SER H H 49 8.011 7.851 0.160 1
1 565 . 8 1 1 A 49 49 SER HA H 49 4.333 4.997 -0.664 1
1 566 . 8 1 1 A 49 49 SER CA C 49 58.675 56.318 2.357 1
1 567 . 8 1 1 A 49 49 SER N N 49 116.263 113.481 2.782 1
1 568 . 8 1 1 A 50 50 GLN H H 50 8.252 8.829 -0.577 1
1 569 . 8 1 1 A 50 50 GLN HA H 50 4.250 3.904 0.346 1
1 576 . 8 1 1 A 50 50 GLN CA C 50 56.570 58.622 -2.052 1
1 577 . 8 1 1 A 50 50 GLN CB C 50 29.372 28.183 1.189 1
1 579 . 8 1 1 A 50 50 GLN N N 50 121.890 126.224 -4.334 1
1 581 . 8 1 1 A 51 51 SER H H 51 8.143 7.708 0.435 1
1 582 . 8 1 1 A 51 51 SER HA H 51 4.332 4.305 0.027 1
1 583 . 8 1 1 A 51 51 SER CA C 51 58.848 60.859 -2.011 1
1 584 . 8 1 1 A 51 51 SER N N 51 115.677 116.697 -1.020 1
1 585 . 8 1 1 A 52 52 ALA H H 52 8.168 7.461 0.707 1
1 586 . 8 1 1 A 52 52 ALA HA H 52 4.261 4.102 0.159 1
1 590 . 8 1 1 A 52 52 ALA CA C 52 53.119 54.858 -1.739 1
1 591 . 8 1 1 A 52 52 ALA CB C 52 19.175 18.679 0.496 1
1 592 . 8 1 1 A 52 52 ALA N N 52 125.354 122.563 2.791 1
1 593 . 8 1 1 A 53 53 ILE H H 53 7.858 7.911 -0.053 1
1 594 . 8 1 1 A 53 53 ILE HA H 53 4.094 4.427 -0.333 1
1 604 . 8 1 1 A 53 53 ILE CA C 53 61.666 60.482 1.184 1
1 605 . 8 1 1 A 53 53 ILE CB C 53 39.015 39.916 -0.901 1
1 609 . 8 1 1 A 53 53 ILE N N 53 118.218 115.858 2.360 1
1 610 . 8 1 1 A 54 54 SER H H 54 8.152 8.221 -0.069 1
1 611 . 8 1 1 A 54 54 SER HA H 54 4.348 4.218 0.130 1
1 614 . 8 1 1 A 54 54 SER CA C 54 58.678 59.071 -0.393 1
1 615 . 8 1 1 A 54 54 SER CB C 54 64.002 62.014 1.988 1
1 616 . 8 1 1 A 54 54 SER N N 54 118.590 115.909 2.681 1
1 617 . 8 1 1 A 55 55 GLN H H 55 8.298 8.311 -0.013 1
1 618 . 8 1 1 A 55 55 GLN HA H 55 4.198 4.131 0.067 1
1 625 . 8 1 1 A 55 55 GLN CA C 55 56.690 58.283 -1.593 1
1 626 . 8 1 1 A 55 55 GLN CB C 55 29.393 28.481 0.912 1
1 628 . 8 1 1 A 55 55 GLN N N 55 122.154 125.262 -3.108 1
1 630 . 8 1 1 A 56 56 LYS H H 56 8.153 7.949 0.204 1
1 631 . 8 1 1 A 56 56 LYS HA H 56 4.161 4.564 -0.403 1
1 636 . 8 1 1 A 56 56 LYS CA C 56 57.174 55.527 1.647 1
1 637 . 8 1 1 A 56 56 LYS CB C 56 32.991 33.754 -0.763 1
1 639 . 8 1 1 A 56 56 LYS N N 56 121.127 117.648 3.479 1
1 640 . 8 1 1 A 57 57 GLU H H 57 8.201 8.154 0.047 1
1 641 . 8 1 1 A 57 57 GLU HA H 57 4.151 4.467 -0.316 1
1 646 . 8 1 1 A 57 57 GLU CA C 57 57.273 57.457 -0.184 1
1 647 . 8 1 1 A 57 57 GLU CB C 57 30.262 31.429 -1.167 1
1 649 . 8 1 1 A 57 57 GLU N N 57 120.626 116.969 3.657 1
1 650 . 8 1 1 A 58 58 TYR H H 58 8.057 8.533 -0.476 1
1 651 . 8 1 1 A 58 58 TYR HA H 58 4.375 4.437 -0.062 1
1 658 . 8 1 1 A 58 58 TYR CA C 58 58.721 60.082 -1.361 1
1 659 . 8 1 1 A 58 58 TYR CB C 58 39.096 37.052 2.044 1
1 660 . 8 1 1 A 58 58 TYR N N 58 120.841 118.567 2.274 1
1 661 . 8 1 1 A 59 59 ASP H H 59 8.144 8.210 -0.066 1
1 662 . 8 1 1 A 59 59 ASP HA H 59 4.493 3.757 0.736 1
1 665 . 8 1 1 A 59 59 ASP CA C 59 54.505 55.989 -1.484 1
1 666 . 8 1 1 A 59 59 ASP CB C 59 41.233 39.059 2.174 1
1 667 . 8 1 1 A 59 59 ASP N N 59 122.549 120.983 1.566 1
1 668 . 8 1 1 A 60 60 SER H H 60 8.245 7.626 0.619 1
1 669 . 8 1 1 A 60 60 SER HA H 60 4.255 4.191 0.064 1
1 670 . 8 1 1 A 60 60 SER CA C 60 59.650 61.004 -1.354 1
1 671 . 8 1 1 A 60 60 SER N N 60 117.646 115.437 2.209 1
1 672 . 8 1 1 A 61 61 SER H H 61 8.329 7.818 0.511 1
1 673 . 8 1 1 A 61 61 SER HA H 61 4.307 4.481 -0.174 1
1 676 . 8 1 1 A 61 61 SER CA C 61 59.882 59.000 0.882 1
1 677 . 8 1 1 A 61 61 SER CB C 61 63.888 64.176 -0.288 1
1 678 . 8 1 1 A 61 61 SER N N 61 118.138 116.341 1.797 1
1 679 . 8 1 1 A 62 62 LEU H H 62 7.753 7.402 0.351 1
1 680 . 8 1 1 A 62 62 LEU HA H 62 4.227 4.224 0.003 1
1 690 . 8 1 1 A 62 62 LEU CA C 62 55.640 55.993 -0.353 1
1 691 . 8 1 1 A 62 62 LEU CB C 62 42.389 43.317 -0.928 1
1 695 . 8 1 1 A 62 62 LEU N N 62 122.616 119.084 3.532 1
1 696 . 8 1 1 A 63 63 ALA H H 63 7.908 7.859 0.049 1
1 697 . 8 1 1 A 63 63 ALA HA H 63 4.266 4.583 -0.317 1
1 701 . 8 1 1 A 63 63 ALA CA C 63 53.071 51.527 1.544 1
1 702 . 8 1 1 A 63 63 ALA CB C 63 19.373 20.897 -1.524 1
1 703 . 8 1 1 A 63 63 ALA N N 63 123.326 117.806 5.520 1
1 704 . 8 1 1 A 64 64 THR H H 64 7.855 7.746 0.109 1
1 705 . 8 1 1 A 64 64 THR HA H 64 4.212 4.825 -0.613 1
1 710 . 8 1 1 A 64 64 THR CA C 64 61.955 60.820 1.135 1
1 711 . 8 1 1 A 64 64 THR CB C 64 69.997 72.712 -2.715 1
1 713 . 8 1 1 A 64 64 THR N N 64 112.019 113.886 -1.867 1
1 714 . 8 1 1 A 65 65 LEU H H 65 7.970 8.452 -0.482 1
1 715 . 8 1 1 A 65 65 LEU HA H 65 4.290 4.653 -0.363 1
1 725 . 8 1 1 A 65 65 LEU CA C 65 55.509 53.797 1.712 1
1 726 . 8 1 1 A 65 65 LEU CB C 65 42.619 41.704 0.915 1
1 730 . 8 1 1 A 65 65 LEU N N 65 123.564 122.822 0.742 1
1 731 . 8 1 1 A 66 66 ASP H H 66 8.271 8.170 0.101 1
1 732 . 8 1 1 A 66 66 ASP HA H 66 4.538 4.248 0.290 1
1 735 . 8 1 1 A 66 66 ASP CA C 66 54.906 54.908 -0.002 1
1 736 . 8 1 1 A 66 66 ASP CB C 66 41.384 38.451 2.933 1
1 737 . 8 1 1 A 66 66 ASP N N 66 120.385 117.345 3.040 1
1 738 . 8 1 1 A 67 67 HIS H H 67 8.020 7.823 0.197 1
1 739 . 8 1 1 A 67 67 HIS HA H 67 5.236 5.090 0.146 1
1 744 . 8 1 1 A 67 67 HIS CA C 67 55.411 56.790 -1.379 1
1 745 . 8 1 1 A 67 67 HIS CB C 67 32.135 30.870 1.265 1
1 746 . 8 1 1 A 67 67 HIS N N 67 119.214 118.146 1.068 1
1 747 . 8 1 1 A 68 68 THR H H 68 8.903 8.661 0.242 1
1 748 . 8 1 1 A 68 68 THR HA H 68 4.474 4.780 -0.306 1
1 753 . 8 1 1 A 68 68 THR CA C 68 62.536 61.090 1.446 1
1 754 . 8 1 1 A 68 68 THR CB C 68 71.267 72.209 -0.942 1
1 756 . 8 1 1 A 68 68 THR N N 68 117.138 114.706 2.432 1
1 757 . 8 1 1 A 69 69 GLU H H 69 8.630 8.752 -0.122 1
1 758 . 8 1 1 A 69 69 GLU HA H 69 4.480 5.117 -0.637 1
1 763 . 8 1 1 A 69 69 GLU CA C 69 56.016 55.627 0.389 1
1 764 . 8 1 1 A 69 69 GLU CB C 69 31.824 32.062 -0.238 1
1 766 . 8 1 1 A 69 69 GLU N N 69 124.226 123.701 0.525 1
1 767 . 8 1 1 A 70 70 ILE H H 70 8.589 8.768 -0.179 1
1 768 . 8 1 1 A 70 70 ILE HA H 70 4.405 4.970 -0.565 1
1 778 . 8 1 1 A 70 70 ILE CA C 70 59.367 59.885 -0.518 1
1 779 . 8 1 1 A 70 70 ILE CB C 70 37.492 40.833 -3.341 1
1 783 . 8 1 1 A 70 70 ILE N N 70 123.526 121.440 2.086 1
1 784 . 8 1 1 A 71 71 LYS H H 71 8.910 8.514 0.396 1
1 785 . 8 1 1 A 71 71 LYS HA H 71 5.070 4.905 0.165 1
1 790 . 8 1 1 A 71 71 LYS CA C 71 54.732 54.235 0.497 1
1 791 . 8 1 1 A 71 71 LYS CB C 71 36.388 36.221 0.167 1
1 793 . 8 1 1 A 71 71 LYS N N 71 128.313 125.429 2.884 1
1 794 . 8 1 1 A 72 72 ALA H H 72 8.623 8.913 -0.290 1
1 795 . 8 1 1 A 72 72 ALA HA H 72 4.060 4.306 -0.246 1
1 799 . 8 1 1 A 72 72 ALA CA C 72 50.119 50.877 -0.758 1
1 800 . 8 1 1 A 72 72 ALA CB C 72 17.261 18.168 -0.907 1
1 801 . 8 1 1 A 72 72 ALA N N 72 123.091 125.216 -2.125 1
1 802 . 8 1 1 A 73 73 PRO HA H 73 4.328 4.379 -0.051 1
1 809 . 8 1 1 A 73 73 PRO CA C 73 63.731 64.330 -0.599 1
1 810 . 8 1 1 A 73 73 PRO CB C 73 32.196 31.894 0.302 1
1 813 . 8 1 1 A 74 74 PHE H H 74 6.758 6.872 -0.114 1
1 814 . 8 1 1 A 74 74 PHE HA H 74 4.414 4.924 -0.510 1
1 821 . 8 1 1 A 74 74 PHE CA C 74 54.539 56.031 -1.492 1
1 822 . 8 1 1 A 74 74 PHE CB C 74 40.862 40.480 0.382 1
1 823 . 8 1 1 A 74 74 PHE N N 74 112.045 112.297 -0.252 1
1 824 . 8 1 1 A 75 75 ASP H H 75 8.563 8.900 -0.337 1
1 825 . 8 1 1 A 75 75 ASP HA H 75 4.915 5.008 -0.093 1
1 828 . 8 1 1 A 75 75 ASP CA C 75 54.108 54.159 -0.051 1
1 829 . 8 1 1 A 75 75 ASP CB C 75 41.011 41.358 -0.347 1
1 830 . 8 1 1 A 75 75 ASP N N 75 118.284 119.749 -1.465 1
1 831 . 8 1 1 A 76 76 GLY H H 76 8.340 8.232 0.108 1
1 832 . 8 1 1 A 76 76 GLY HA2 H 76 4.228 4.250 -0.022 1
1 833 . 8 1 1 A 76 76 GLY HA3 H 76 4.070 4.360 -0.290 1
1 834 . 8 1 1 A 76 76 GLY CA C 76 46.761 46.186 0.575 1
1 835 . 8 1 1 A 76 76 GLY N N 76 108.739 107.215 1.524 1
1 836 . 8 1 1 A 77 77 THR H H 77 8.607 8.825 -0.218 1
1 837 . 8 1 1 A 77 77 THR HA H 77 4.966 5.276 -0.310 1
1 842 . 8 1 1 A 77 77 THR CA C 77 61.891 61.275 0.616 1
1 843 . 8 1 1 A 77 77 THR CB C 77 70.413 72.169 -1.756 1
1 845 . 8 1 1 A 77 77 THR N N 77 116.423 116.003 0.420 1
1 846 . 8 1 1 A 78 78 ILE H H 78 8.815 8.950 -0.135 1
1 847 . 8 1 1 A 78 78 ILE HA H 78 4.656 5.124 -0.468 1
1 857 . 8 1 1 A 78 78 ILE CA C 78 60.214 59.154 1.060 1
1 858 . 8 1 1 A 78 78 ILE CB C 78 43.110 41.711 1.399 1
1 862 . 8 1 1 A 78 78 ILE N N 78 129.313 124.516 4.797 1
1 863 . 8 1 1 A 79 79 GLY H H 79 8.052 9.080 -1.028 1
1 864 . 8 1 1 A 79 79 GLY HA2 H 79 4.394 4.251 0.143 1
1 865 . 8 1 1 A 79 79 GLY HA3 H 79 3.765 4.260 -0.495 1
1 866 . 8 1 1 A 79 79 GLY CA C 79 44.297 45.394 -1.097 1
1 867 . 8 1 1 A 79 79 GLY N N 79 114.522 115.992 -1.470 1
1 868 . 8 1 1 A 80 80 ASP H H 80 7.792 8.850 -1.058 1
1 869 . 8 1 1 A 80 80 ASP HA H 80 4.706 4.381 0.325 1
1 872 . 8 1 1 A 80 80 ASP CA C 80 53.784 56.338 -2.554 1
1 873 . 8 1 1 A 80 80 ASP CB C 80 42.062 39.462 2.600 1
1 874 . 8 1 1 A 80 80 ASP N N 80 113.706 120.098 -6.392 1
1 875 . 8 1 1 A 81 81 ALA H H 81 8.552 8.318 0.234 1
1 876 . 8 1 1 A 81 81 ALA HA H 81 4.567 5.259 -0.692 1
1 880 . 8 1 1 A 81 81 ALA CA C 81 53.345 51.694 1.651 1
1 881 . 8 1 1 A 81 81 ALA CB C 81 20.325 23.564 -3.239 1
1 882 . 8 1 1 A 81 81 ALA N N 81 124.168 121.730 2.438 1
1 883 . 8 1 1 A 82 82 LEU H H 82 8.734 9.013 -0.279 1
1 884 . 8 1 1 A 82 82 LEU HA H 82 4.338 4.752 -0.414 1
1 893 . 8 1 1 A 82 82 LEU CA C 82 55.320 54.186 1.134 1
1 894 . 8 1 1 A 82 82 LEU CB C 82 41.616 43.166 -1.550 1
1 897 . 8 1 1 A 82 82 LEU N N 82 121.830 118.880 2.950 1
1 898 . 8 1 1 A 83 83 VAL H H 83 7.136 7.685 -0.549 1
1 899 . 8 1 1 A 83 83 VAL HA H 83 4.489 4.852 -0.363 1
1 907 . 8 1 1 A 83 83 VAL CA C 83 58.552 58.650 -0.098 1
1 908 . 8 1 1 A 83 83 VAL CB C 83 35.418 36.187 -0.769 1
1 911 . 8 1 1 A 83 83 VAL N N 83 108.193 114.547 -6.354 1
1 912 . 8 1 1 A 84 84 ASN H H 84 9.073 9.067 0.006 1
1 913 . 8 1 1 A 84 84 ASN HA H 84 4.872 5.336 -0.464 1
1 918 . 8 1 1 A 84 84 ASN CA C 84 51.417 51.381 0.036 1
1 919 . 8 1 1 A 84 84 ASN CB C 84 42.127 43.041 -0.914 1
1 920 . 8 1 1 A 84 84 ASN N N 84 119.533 119.331 0.202 1
1 922 . 8 1 1 A 85 85 ILE H H 85 8.390 8.533 -0.143 1
1 923 . 8 1 1 A 85 85 ILE HA H 85 3.384 3.697 -0.313 1
1 933 . 8 1 1 A 85 85 ILE CA C 85 63.985 64.079 -0.094 1
1 934 . 8 1 1 A 85 85 ILE CB C 85 37.368 37.316 0.052 1
1 938 . 8 1 1 A 85 85 ILE N N 85 119.414 122.493 -3.079 1
1 939 . 8 1 1 A 86 86 GLY H H 86 9.229 8.772 0.457 1
1 940 . 8 1 1 A 86 86 GLY HA2 H 86 4.392 4.054 0.338 1
1 941 . 8 1 1 A 86 86 GLY HA3 H 86 3.412 4.060 -0.648 1
1 942 . 8 1 1 A 86 86 GLY CA C 86 44.946 44.946 0.000 1
1 943 . 8 1 1 A 86 86 GLY N N 86 117.337 115.523 1.814 1
1 944 . 8 1 1 A 87 87 ASP H H 87 7.956 8.295 -0.339 1
1 945 . 8 1 1 A 87 87 ASP HA H 87 4.599 4.688 -0.089 1
1 948 . 8 1 1 A 87 87 ASP CA C 87 55.055 54.925 0.130 1
1 949 . 8 1 1 A 87 87 ASP CB C 87 40.978 41.192 -0.214 1
1 950 . 8 1 1 A 87 87 ASP N N 87 121.511 122.003 -0.492 1
1 951 . 8 1 1 A 88 88 TYR H H 88 8.545 8.909 -0.364 1
1 952 . 8 1 1 A 88 88 TYR HA H 88 4.718 4.806 -0.088 1
1 959 . 8 1 1 A 88 88 TYR CA C 88 57.954 59.662 -1.708 1
1 960 . 8 1 1 A 88 88 TYR CB C 88 39.411 39.303 0.108 1
1 961 . 8 1 1 A 88 88 TYR N N 88 122.327 126.157 -3.830 1
1 962 . 8 1 1 A 89 89 VAL H H 89 8.937 8.345 0.592 1
1 963 . 8 1 1 A 89 89 VAL HA H 89 4.565 4.613 -0.048 1
1 971 . 8 1 1 A 89 89 VAL CA C 89 58.580 59.119 -0.539 1
1 972 . 8 1 1 A 89 89 VAL CB C 89 34.504 36.026 -1.522 1
1 975 . 8 1 1 A 89 89 VAL N N 89 121.838 121.261 0.577 1
1 976 . 8 1 1 A 90 90 SER H H 90 8.761 8.342 0.419 1
1 977 . 8 1 1 A 90 90 SER HA H 90 4.562 5.011 -0.449 1
1 980 . 8 1 1 A 90 90 SER CA C 90 56.974 56.016 0.958 1
1 981 . 8 1 1 A 90 90 SER CB C 90 65.027 65.332 -0.305 1
1 982 . 8 1 1 A 90 90 SER N N 90 114.806 115.931 -1.125 1
1 983 . 8 1 1 A 91 91 ALA H H 91 8.692 8.980 -0.288 1
1 984 . 8 1 1 A 91 91 ALA HA H 91 3.505 4.086 -0.581 1
1 988 . 8 1 1 A 91 91 ALA CA C 91 53.471 54.850 -1.379 1
1 989 . 8 1 1 A 91 91 ALA CB C 91 18.719 18.401 0.318 1
1 990 . 8 1 1 A 91 91 ALA N N 91 129.873 129.536 0.337 1
1 991 . 8 1 1 A 92 92 SER H H 92 9.156 7.857 1.299 1
1 992 . 8 1 1 A 92 92 SER HA H 92 3.804 4.613 -0.809 1
1 995 . 8 1 1 A 92 92 SER CA C 92 60.827 57.364 3.463 1
1 996 . 8 1 1 A 92 92 SER CB C 92 62.630 64.692 -2.062 1
1 997 . 8 1 1 A 92 92 SER N N 92 113.297 108.143 5.154 1
1 998 . 8 1 1 A 93 93 THR H H 93 7.806 7.843 -0.037 1
1 999 . 8 1 1 A 93 93 THR HA H 93 4.387 4.395 -0.008 1
1 1004 . 8 1 1 A 93 93 THR CA C 93 64.607 63.279 1.328 1
1 1005 . 8 1 1 A 93 93 THR CB C 93 71.127 69.818 1.309 1
1 1007 . 8 1 1 A 93 93 THR N N 93 113.896 114.619 -0.723 1
1 1008 . 8 1 1 A 94 94 THR H H 94 7.691 7.191 0.500 1
1 1009 . 8 1 1 A 94 94 THR HA H 94 3.899 4.860 -0.961 1
1 1014 . 8 1 1 A 94 94 THR CA C 94 65.258 61.613 3.645 1
1 1015 . 8 1 1 A 94 94 THR CB C 94 70.283 71.123 -0.840 1
1 1017 . 8 1 1 A 94 94 THR N N 94 119.603 115.272 4.331 1
1 1018 . 8 1 1 A 95 95 GLU H H 95 8.389 8.937 -0.548 1
1 1019 . 8 1 1 A 95 95 GLU HA H 95 3.793 4.582 -0.789 1
1 1024 . 8 1 1 A 95 95 GLU CA C 95 56.783 55.073 1.710 1
1 1025 . 8 1 1 A 95 95 GLU CB C 95 29.777 31.520 -1.743 1
1 1027 . 8 1 1 A 95 95 GLU N N 95 124.816 126.572 -1.756 1
1 1028 . 8 1 1 A 96 96 LEU H H 96 8.735 8.909 -0.174 1
1 1029 . 8 1 1 A 96 96 LEU HA H 96 4.249 4.219 0.030 1
1 1039 . 8 1 1 A 96 96 LEU CA C 96 57.071 55.823 1.248 1
1 1040 . 8 1 1 A 96 96 LEU CB C 96 43.517 42.093 1.424 1
1 1044 . 8 1 1 A 96 96 LEU N N 96 120.104 126.502 -6.398 1
1 1045 . 8 1 1 A 97 97 VAL H H 97 7.049 7.328 -0.279 1
1 1046 . 8 1 1 A 97 97 VAL HA H 97 4.334 4.370 -0.036 1
1 1054 . 8 1 1 A 97 97 VAL CA C 97 61.411 60.980 0.431 1
1 1055 . 8 1 1 A 97 97 VAL CB C 97 31.724 34.712 -2.988 1
1 1058 . 8 1 1 A 97 97 VAL N N 97 112.399 114.482 -2.083 1
1 1059 . 8 1 1 A 98 98 ARG H H 98 8.968 8.376 0.592 1
1 1060 . 8 1 1 A 98 98 ARG HA H 98 5.255 4.638 0.617 1
1 1067 . 8 1 1 A 98 98 ARG CA C 98 55.391 55.892 -0.501 1
1 1068 . 8 1 1 A 98 98 ARG CB C 98 32.925 30.629 2.296 1
1 1071 . 8 1 1 A 98 98 ARG N N 98 127.489 124.573 2.916 1
1 1072 . 8 1 1 A 99 99 VAL H H 99 8.884 8.412 0.472 1
1 1073 . 8 1 1 A 99 99 VAL HA H 99 4.554 4.874 -0.320 1
1 1078 . 8 1 1 A 99 99 VAL CA C 99 60.996 61.245 -0.249 1
1 1079 . 8 1 1 A 99 99 VAL CB C 99 34.358 33.874 0.484 1
1 1081 . 8 1 1 A 99 99 VAL N N 99 122.863 123.305 -0.442 1
1 1082 . 8 1 1 A 100 100 THR H H 100 8.823 9.337 -0.514 1
1 1083 . 8 1 1 A 100 100 THR HA H 100 4.552 5.039 -0.487 1
1 1088 . 8 1 1 A 100 100 THR CA C 100 61.105 60.814 0.291 1
1 1089 . 8 1 1 A 100 100 THR CB C 100 70.859 71.718 -0.859 1
1 1091 . 8 1 1 A 100 100 THR N N 100 121.813 122.026 -0.213 1
1 1092 . 8 1 1 A 101 101 ASN H H 101 8.146 9.111 -0.965 1
1 1093 . 8 1 1 A 101 101 ASN HA H 101 4.505 4.949 -0.444 1
1 1098 . 8 1 1 A 101 101 ASN CA C 101 54.283 53.484 0.799 1
1 1099 . 8 1 1 A 101 101 ASN CB C 101 38.631 39.116 -0.485 1
1 1100 . 8 1 1 A 101 101 ASN N N 101 122.582 128.742 -6.160 1
1 1102 . 8 1 1 A 102 102 LEU H H 102 8.154 8.301 -0.147 1
1 1103 . 8 1 1 A 102 102 LEU HA H 102 4.236 4.727 -0.491 1
1 1113 . 8 1 1 A 102 102 LEU CA C 102 55.618 53.124 2.494 1
1 1114 . 8 1 1 A 102 102 LEU CB C 102 42.842 44.614 -1.772 1
1 1118 . 8 1 1 A 102 102 LEU N N 102 122.572 123.059 -0.487 1
1 1119 . 8 1 1 A 103 103 ASN H H 103 8.393 8.537 -0.144 1
1 1120 . 8 1 1 A 103 103 ASN HA H 103 4.862 4.730 0.132 1
1 1125 . 8 1 1 A 103 103 ASN CA C 103 51.431 51.968 -0.537 1
1 1126 . 8 1 1 A 103 103 ASN CB C 103 39.172 37.598 1.574 1
1 1127 . 8 1 1 A 103 103 ASN N N 103 120.155 118.771 1.384 1
1 1129 . 8 1 1 A 104 104 PRO HA H 104 4.224 4.537 -0.313 1
1 1136 . 8 1 1 A 104 104 PRO CA C 104 63.636 63.840 -0.204 1
1 1137 . 8 1 1 A 104 104 PRO CB C 104 32.301 31.793 0.508 1
1 1140 . 8 1 1 A 105 105 ILE H H 105 7.870 8.112 -0.242 1
1 1141 . 8 1 1 A 105 105 ILE HA H 105 3.934 4.564 -0.630 1
1 1151 . 8 1 1 A 105 105 ILE CA C 105 61.566 60.468 1.098 1
1 1152 . 8 1 1 A 105 105 ILE CB C 105 38.723 39.294 -0.571 1
1 1156 . 8 1 1 A 105 105 ILE N N 105 119.425 116.660 2.765 1
1 1157 . 8 1 1 A 106 106 TYR H H 106 7.945 7.565 0.380 1
1 1158 . 8 1 1 A 106 106 TYR HA H 106 4.529 4.627 -0.098 1
1 1165 . 8 1 1 A 106 106 TYR CA C 106 57.548 59.227 -1.679 1
1 1166 . 8 1 1 A 106 106 TYR CB C 106 39.048 39.109 -0.061 1
1 1167 . 8 1 1 A 106 106 TYR N N 106 123.138 125.053 -1.915 1
1 1168 . 8 1 1 A 107 107 ALA H H 107 8.113 8.697 -0.584 1
1 1169 . 8 1 1 A 107 107 ALA HA H 107 4.213 4.401 -0.188 1
1 1173 . 8 1 1 A 107 107 ALA CA C 107 52.847 51.636 1.211 1
1 1174 . 8 1 1 A 107 107 ALA CB C 107 19.450 20.197 -0.747 1
1 1175 . 8 1 1 A 107 107 ALA N N 107 125.476 126.442 -0.966 1
1 1176 . 8 1 1 A 108 108 ASP H H 108 8.140 8.839 -0.699 1
1 1177 . 8 1 1 A 108 108 ASP HA H 108 4.502 4.528 -0.026 1
1 1180 . 8 1 1 A 108 108 ASP CA C 108 54.515 56.152 -1.637 1
1 1181 . 8 1 1 A 108 108 ASP CB C 108 41.436 41.658 -0.222 1
1 1182 . 8 1 1 A 108 108 ASP N N 108 119.275 120.658 -1.383 1
1 1183 . 8 1 1 A 109 109 GLY H H 109 8.304 7.294 1.010 1
1 1184 . 8 1 1 A 109 109 GLY HA2 H 109 3.930 4.184 -0.254 1
1 1185 . 8 1 1 A 109 109 GLY HA3 H 109 3.844 4.284 -0.440 1
1 1186 . 8 1 1 A 109 109 GLY CA C 109 45.809 45.739 0.070 1
1 1187 . 8 1 1 A 109 109 GLY N N 109 109.463 106.389 3.074 1
1 1188 . 8 1 1 A 110 110 SER H H 110 8.169 7.377 0.792 1
1 1189 . 8 1 1 A 110 110 SER HA H 110 4.263 4.035 0.228 1
1 1190 . 8 1 1 A 110 110 SER CA C 110 59.017 57.068 1.949 1
1 1191 . 8 1 1 A 110 110 SER N N 110 115.630 114.487 1.143 1
1 1192 . 8 1 1 A 111 111 HIS HA H 111 4.522 4.163 0.359 1
1 1195 . 8 1 1 A 111 111 HIS CA C 111 56.269 58.310 -2.041 1
1 1196 . 8 1 1 A 111 111 HIS CB C 111 30.558 29.671 0.887 1
1 1197 . 8 1 1 A 112 112 HIS HA H 112 4.341 4.479 -0.138 1
1 1200 . 8 1 1 A 112 112 HIS CA C 112 57.660 55.633 2.027 1
1 2 . 9 1 1 A 2 2 VAL H H 2 8.608 8.611 -0.003 1
1 3 . 9 1 1 A 2 2 VAL HA H 2 4.472 4.827 -0.355 1
1 11 . 9 1 1 A 2 2 VAL CA C 2 61.161 60.494 0.667 1
1 12 . 9 1 1 A 2 2 VAL CB C 2 35.825 35.721 0.104 1
1 15 . 9 1 1 A 2 2 VAL N N 2 117.995 118.292 -0.297 1
1 16 . 9 1 1 A 3 3 ILE H H 3 8.424 8.881 -0.457 1
1 17 . 9 1 1 A 3 3 ILE HA H 3 4.489 4.595 -0.106 1
1 27 . 9 1 1 A 3 3 ILE CA C 3 60.273 60.384 -0.111 1
1 28 . 9 1 1 A 3 3 ILE CB C 3 38.595 38.442 0.153 1
1 32 . 9 1 1 A 3 3 ILE N N 3 125.647 126.945 -1.298 1
1 33 . 9 1 1 A 4 4 ILE H H 4 8.531 8.727 -0.196 1
1 34 . 9 1 1 A 4 4 ILE HA H 4 3.990 4.099 -0.109 1
1 44 . 9 1 1 A 4 4 ILE CA C 4 61.656 61.935 -0.279 1
1 45 . 9 1 1 A 4 4 ILE CB C 4 38.183 38.573 -0.390 1
1 49 . 9 1 1 A 4 4 ILE N N 4 127.472 130.457 -2.985 1
1 50 . 9 1 1 A 5 5 LYS H H 5 8.277 8.831 -0.554 1
1 51 . 9 1 1 A 5 5 LYS HA H 5 5.164 4.699 0.465 1
1 60 . 9 1 1 A 5 5 LYS CA C 5 53.440 52.914 0.526 1
1 61 . 9 1 1 A 5 5 LYS CB C 5 33.808 35.376 -1.568 1
1 65 . 9 1 1 A 5 5 LYS N N 5 126.697 126.251 0.446 1
1 66 . 9 1 1 A 6 6 PRO HA H 6 4.370 4.717 -0.347 1
1 73 . 9 1 1 A 6 6 PRO CA C 6 62.493 62.242 0.251 1
1 74 . 9 1 1 A 6 6 PRO CB C 6 32.091 32.831 -0.740 1
1 77 . 9 1 1 A 7 7 GLN H H 7 9.334 8.331 1.003 1
1 78 . 9 1 1 A 7 7 GLN HA H 7 4.348 4.214 0.134 1
1 85 . 9 1 1 A 7 7 GLN CA C 7 56.384 56.222 0.162 1
1 86 . 9 1 1 A 7 7 GLN CB C 7 28.934 28.693 0.241 1
1 88 . 9 1 1 A 7 7 GLN N N 7 119.944 119.019 0.925 1
1 90 . 9 1 1 A 8 8 VAL H H 8 7.021 7.284 -0.263 1
1 91 . 9 1 1 A 8 8 VAL HA H 8 4.476 4.834 -0.358 1
1 99 . 9 1 1 A 8 8 VAL CA C 8 58.999 58.792 0.207 1
1 100 . 9 1 1 A 8 8 VAL CB C 8 35.347 35.641 -0.294 1
1 103 . 9 1 1 A 8 8 VAL N N 8 111.118 115.085 -3.967 1
1 104 . 9 1 1 A 9 9 SER H H 9 8.155 8.610 -0.455 1
1 105 . 9 1 1 A 9 9 SER HA H 9 4.945 4.716 0.229 1
1 108 . 9 1 1 A 9 9 SER CA C 9 56.704 57.725 -1.021 1
1 109 . 9 1 1 A 9 9 SER CB C 9 64.645 64.663 -0.018 1
1 110 . 9 1 1 A 9 9 SER N N 9 114.983 117.374 -2.391 1
1 111 . 9 1 1 A 10 10 GLY H H 10 7.981 8.222 -0.241 1
1 112 . 9 1 1 A 10 10 GLY HA2 H 10 4.416 4.237 0.179 1
1 113 . 9 1 1 A 10 10 GLY HA3 H 10 3.643 4.323 -0.680 1
1 114 . 9 1 1 A 10 10 GLY CA C 10 45.433 45.403 0.030 1
1 115 . 9 1 1 A 10 10 GLY N N 10 108.602 107.438 1.164 1
1 116 . 9 1 1 A 11 11 VAL H H 11 8.018 8.740 -0.722 1
1 117 . 9 1 1 A 11 11 VAL HA H 11 4.740 5.292 -0.552 1
1 125 . 9 1 1 A 11 11 VAL CA C 11 60.580 59.087 1.493 1
1 126 . 9 1 1 A 11 11 VAL CB C 11 35.124 35.665 -0.541 1
1 129 . 9 1 1 A 11 11 VAL N N 11 118.346 117.695 0.651 1
1 130 . 9 1 1 A 12 12 ILE H H 12 8.452 8.942 -0.490 1
1 131 . 9 1 1 A 12 12 ILE HA H 12 4.042 4.294 -0.252 1
1 141 . 9 1 1 A 12 12 ILE CA C 12 60.400 62.363 -1.963 1
1 142 . 9 1 1 A 12 12 ILE CB C 12 35.725 38.096 -2.371 1
1 146 . 9 1 1 A 12 12 ILE N N 12 125.267 124.998 0.269 1
1 147 . 9 1 1 A 13 13 VAL H H 13 8.900 9.347 -0.447 1
1 148 . 9 1 1 A 13 13 VAL HA H 13 4.492 4.295 0.197 1
1 156 . 9 1 1 A 13 13 VAL CA C 13 62.168 63.310 -1.142 1
1 157 . 9 1 1 A 13 13 VAL CB C 13 33.406 33.715 -0.309 1
1 160 . 9 1 1 A 13 13 VAL N N 13 124.539 125.881 -1.342 1
1 161 . 9 1 1 A 14 14 ASN H H 14 7.649 7.898 -0.249 1
1 162 . 9 1 1 A 14 14 ASN HA H 14 4.805 5.146 -0.341 1
1 167 . 9 1 1 A 14 14 ASN CA C 14 52.950 52.289 0.661 1
1 168 . 9 1 1 A 14 14 ASN CB C 14 42.149 41.943 0.206 1
1 169 . 9 1 1 A 14 14 ASN N N 14 115.008 116.447 -1.439 1
1 171 . 9 1 1 A 15 15 LYS H H 15 8.393 8.561 -0.168 1
1 172 . 9 1 1 A 15 15 LYS HA H 15 4.640 4.693 -0.053 1
1 179 . 9 1 1 A 15 15 LYS CA C 15 55.987 54.863 1.124 1
1 180 . 9 1 1 A 15 15 LYS CB C 15 35.412 33.267 2.145 1
1 183 . 9 1 1 A 15 15 LYS N N 15 123.820 122.063 1.757 1
1 184 . 9 1 1 A 16 16 LEU H H 16 8.015 8.374 -0.359 1
1 185 . 9 1 1 A 16 16 LEU HA H 16 4.983 3.969 1.014 1
1 195 . 9 1 1 A 16 16 LEU CA C 16 55.202 57.648 -2.446 1
1 196 . 9 1 1 A 16 16 LEU CB C 16 41.471 42.256 -0.785 1
1 200 . 9 1 1 A 16 16 LEU N N 16 126.200 126.289 -0.089 1
1 201 . 9 1 1 A 17 17 PHE H H 17 6.522 7.231 -0.709 1
1 202 . 9 1 1 A 17 17 PHE HA H 17 4.858 4.538 0.320 1
1 210 . 9 1 1 A 17 17 PHE CA C 17 55.675 55.951 -0.276 1
1 211 . 9 1 1 A 17 17 PHE CB C 17 41.329 41.067 0.262 1
1 212 . 9 1 1 A 17 17 PHE N N 17 113.650 116.616 -2.966 1
1 213 . 9 1 1 A 18 18 LYS H H 18 8.648 8.721 -0.073 1
1 214 . 9 1 1 A 18 18 LYS HA H 18 4.325 4.358 -0.033 1
1 223 . 9 1 1 A 18 18 LYS CA C 18 54.442 53.871 0.571 1
1 224 . 9 1 1 A 18 18 LYS CB C 18 35.233 35.615 -0.382 1
1 228 . 9 1 1 A 18 18 LYS N N 18 120.586 117.870 2.716 1
1 229 . 9 1 1 A 19 19 ALA H H 19 8.396 8.333 0.063 1
1 230 . 9 1 1 A 19 19 ALA HA H 19 3.956 4.244 -0.288 1
1 234 . 9 1 1 A 19 19 ALA CA C 19 54.151 53.914 0.237 1
1 235 . 9 1 1 A 19 19 ALA CB C 19 18.681 18.424 0.257 1
1 236 . 9 1 1 A 19 19 ALA N N 19 123.901 126.049 -2.148 1
1 237 . 9 1 1 A 20 20 GLY H H 20 8.806 8.655 0.151 1
1 238 . 9 1 1 A 20 20 GLY HA2 H 20 4.299 3.982 0.317 1
1 239 . 9 1 1 A 20 20 GLY HA3 H 20 3.523 4.007 -0.484 1
1 240 . 9 1 1 A 20 20 GLY CA C 20 45.190 45.009 0.181 1
1 241 . 9 1 1 A 20 20 GLY N N 20 112.460 111.833 0.627 1
1 242 . 9 1 1 A 21 21 ASP H H 21 7.923 8.186 -0.263 1
1 243 . 9 1 1 A 21 21 ASP HA H 21 4.489 4.752 -0.263 1
1 246 . 9 1 1 A 21 21 ASP CA C 21 55.477 53.148 2.329 1
1 247 . 9 1 1 A 21 21 ASP CB C 21 41.593 42.409 -0.816 1
1 248 . 9 1 1 A 21 21 ASP N N 21 121.531 122.036 -0.505 1
1 249 . 9 1 1 A 22 22 LYS H H 22 8.292 8.376 -0.084 1
1 250 . 9 1 1 A 22 22 LYS HA H 22 4.861 5.050 -0.189 1
1 259 . 9 1 1 A 22 22 LYS CA C 22 55.789 54.591 1.198 1
1 260 . 9 1 1 A 22 22 LYS CB C 22 31.948 36.096 -4.148 1
1 264 . 9 1 1 A 22 22 LYS N N 22 120.223 119.381 0.842 1
1 265 . 9 1 1 A 23 23 VAL H H 23 8.929 8.839 0.090 1
1 266 . 9 1 1 A 23 23 VAL HA H 23 4.828 4.784 0.044 1
1 274 . 9 1 1 A 23 23 VAL CA C 23 58.619 59.234 -0.615 1
1 275 . 9 1 1 A 23 23 VAL CB C 23 34.776 35.514 -0.738 1
1 278 . 9 1 1 A 23 23 VAL N N 23 117.770 118.555 -0.785 1
1 279 . 9 1 1 A 24 24 LYS H H 24 7.952 8.326 -0.374 1
1 280 . 9 1 1 A 24 24 LYS HA H 24 4.828 4.519 0.309 1
1 289 . 9 1 1 A 24 24 LYS CA C 24 53.316 55.619 -2.303 1
1 290 . 9 1 1 A 24 24 LYS CB C 24 35.370 33.353 2.017 1
1 294 . 9 1 1 A 24 24 LYS N N 24 121.890 125.210 -3.320 1
1 295 . 9 1 1 A 25 25 LYS H H 25 8.903 8.629 0.274 1
1 296 . 9 1 1 A 25 25 LYS HA H 25 3.152 4.032 -0.880 1
1 304 . 9 1 1 A 25 25 LYS CA C 25 58.780 57.797 0.983 1
1 305 . 9 1 1 A 25 25 LYS CB C 25 32.788 31.790 0.998 1
1 309 . 9 1 1 A 25 25 LYS N N 25 121.717 124.937 -3.220 1
1 310 . 9 1 1 A 26 26 GLY H H 26 8.887 9.167 -0.280 1
1 311 . 9 1 1 A 26 26 GLY HA2 H 26 4.277 3.875 0.402 1
1 312 . 9 1 1 A 26 26 GLY HA3 H 26 3.462 3.899 -0.437 1
1 313 . 9 1 1 A 26 26 GLY CA C 26 45.387 45.238 0.149 1
1 314 . 9 1 1 A 26 26 GLY N N 26 115.271 113.831 1.440 1
1 315 . 9 1 1 A 27 27 GLN H H 27 8.423 7.938 0.485 1
1 316 . 9 1 1 A 27 27 GLN HA H 27 4.134 4.335 -0.201 1
1 323 . 9 1 1 A 27 27 GLN CA C 27 56.461 56.204 0.257 1
1 324 . 9 1 1 A 27 27 GLN CB C 27 30.655 28.992 1.663 1
1 326 . 9 1 1 A 27 27 GLN N N 27 123.160 120.143 3.017 1
1 328 . 9 1 1 A 28 28 THR H H 28 9.094 8.820 0.274 1
1 329 . 9 1 1 A 28 28 THR HA H 28 3.884 4.188 -0.304 1
1 334 . 9 1 1 A 28 28 THR CA C 28 66.017 64.129 1.888 1
1 335 . 9 1 1 A 28 28 THR CB C 28 68.577 69.103 -0.526 1
1 337 . 9 1 1 A 28 28 THR N N 28 124.723 118.626 6.097 1
1 338 . 9 1 1 A 29 29 LEU H H 29 9.499 9.398 0.101 1
1 339 . 9 1 1 A 29 29 LEU HA H 29 4.373 4.434 -0.061 1
1 349 . 9 1 1 A 29 29 LEU CA C 29 55.960 55.726 0.234 1
1 350 . 9 1 1 A 29 29 LEU CB C 29 44.601 43.401 1.200 1
1 354 . 9 1 1 A 29 29 LEU N N 29 125.894 127.126 -1.232 1
1 355 . 9 1 1 A 30 30 PHE H H 30 7.572 7.690 -0.118 1
1 356 . 9 1 1 A 30 30 PHE HA H 30 5.360 5.396 -0.036 1
1 364 . 9 1 1 A 30 30 PHE CA C 30 55.655 56.059 -0.404 1
1 365 . 9 1 1 A 30 30 PHE CB C 30 45.053 43.234 1.819 1
1 366 . 9 1 1 A 30 30 PHE N N 30 111.166 114.856 -3.690 1
1 367 . 9 1 1 A 31 31 ILE H H 31 7.850 8.390 -0.540 1
1 368 . 9 1 1 A 31 31 ILE HA H 31 4.808 5.004 -0.196 1
1 378 . 9 1 1 A 31 31 ILE CA C 31 60.159 59.160 0.999 1
1 379 . 9 1 1 A 31 31 ILE CB C 31 39.584 41.801 -2.217 1
1 383 . 9 1 1 A 31 31 ILE N N 31 119.419 119.925 -0.506 1
1 384 . 9 1 1 A 32 32 ILE H H 32 9.095 9.157 -0.062 1
1 385 . 9 1 1 A 32 32 ILE HA H 32 4.830 5.296 -0.466 1
1 395 . 9 1 1 A 32 32 ILE CA C 32 59.205 59.679 -0.474 1
1 396 . 9 1 1 A 32 32 ILE CB C 32 42.206 41.713 0.493 1
1 400 . 9 1 1 A 32 32 ILE N N 32 127.930 126.315 1.615 1
1 401 . 9 1 1 A 33 33 GLU H H 33 9.089 9.308 -0.219 1
1 402 . 9 1 1 A 33 33 GLU HA H 33 4.674 5.191 -0.517 1
1 407 . 9 1 1 A 33 33 GLU CA C 33 55.047 54.586 0.461 1
1 408 . 9 1 1 A 33 33 GLU CB C 33 31.851 32.700 -0.849 1
1 410 . 9 1 1 A 33 33 GLU N N 33 128.159 126.322 1.837 1
1 411 . 9 1 1 A 34 34 GLN H H 34 8.705 8.802 -0.097 1
1 412 . 9 1 1 A 34 34 GLN HA H 34 4.362 4.424 -0.062 1
1 419 . 9 1 1 A 34 34 GLN CA C 34 56.933 55.656 1.277 1
1 420 . 9 1 1 A 34 34 GLN CB C 34 30.273 28.412 1.861 1
1 422 . 9 1 1 A 34 34 GLN N N 34 128.144 126.579 1.565 1
1 424 . 9 1 1 A 35 35 ASP H H 35 8.488 8.686 -0.198 1
1 425 . 9 1 1 A 35 35 ASP HA H 35 4.608 4.378 0.230 1
1 428 . 9 1 1 A 35 35 ASP CA C 35 54.124 55.445 -1.321 1
1 429 . 9 1 1 A 35 35 ASP CB C 35 41.702 40.181 1.521 1
1 430 . 9 1 1 A 35 35 ASP N N 35 122.441 118.038 4.403 1
1 431 . 9 1 1 A 36 36 GLN H H 36 8.604 8.310 0.294 1
1 432 . 9 1 1 A 36 36 GLN HA H 36 4.021 4.213 -0.192 1
1 439 . 9 1 1 A 36 36 GLN CA C 36 57.273 56.751 0.522 1
1 440 . 9 1 1 A 36 36 GLN CB C 36 29.266 26.459 2.807 1
1 442 . 9 1 1 A 36 36 GLN N N 36 123.042 116.350 6.692 1
1 444 . 9 1 1 A 37 37 ALA H H 37 8.313 7.964 0.349 1
1 445 . 9 1 1 A 37 37 ALA HA H 37 4.212 4.124 0.088 1
1 449 . 9 1 1 A 37 37 ALA CA C 37 53.708 54.919 -1.211 1
1 450 . 9 1 1 A 37 37 ALA CB C 37 18.949 18.187 0.762 1
1 451 . 9 1 1 A 37 37 ALA N N 37 122.748 124.061 -1.313 1
1 452 . 9 1 1 A 38 38 SER H H 38 7.949 7.751 0.198 1
1 453 . 9 1 1 A 38 38 SER HA H 38 4.285 4.538 -0.253 1
1 456 . 9 1 1 A 38 38 SER CA C 38 59.468 60.715 -1.247 1
1 457 . 9 1 1 A 38 38 SER CB C 38 63.874 63.893 -0.019 1
1 458 . 9 1 1 A 38 38 SER N N 38 113.828 113.230 0.598 1
1 459 . 9 1 1 A 39 39 LYS H H 39 8.107 8.144 -0.037 1
1 460 . 9 1 1 A 39 39 LYS HA H 39 4.124 4.104 0.020 1
1 469 . 9 1 1 A 39 39 LYS CA C 39 57.821 58.638 -0.817 1
1 470 . 9 1 1 A 39 39 LYS CB C 39 32.978 32.139 0.839 1
1 474 . 9 1 1 A 39 39 LYS N N 39 122.900 122.287 0.613 1
1 475 . 9 1 1 A 40 40 ASP H H 40 8.173 8.076 0.097 1
1 476 . 9 1 1 A 40 40 ASP HA H 40 4.477 4.735 -0.258 1
1 479 . 9 1 1 A 40 40 ASP CA C 40 55.164 54.173 0.991 1
1 480 . 9 1 1 A 40 40 ASP CB C 40 41.359 41.754 -0.395 1
1 481 . 9 1 1 A 40 40 ASP N N 40 119.696 118.279 1.417 1
1 482 . 9 1 1 A 41 41 PHE H H 41 8.022 8.140 -0.118 1
1 483 . 9 1 1 A 41 41 PHE HA H 41 4.376 4.475 -0.099 1
1 488 . 9 1 1 A 41 41 PHE CA C 41 59.354 60.262 -0.908 1
1 489 . 9 1 1 A 41 41 PHE CB C 41 39.414 39.783 -0.369 1
1 490 . 9 1 1 A 41 41 PHE N N 41 121.310 120.249 1.061 1
1 491 . 9 1 1 A 42 42 ASN H H 42 8.247 8.930 -0.683 1
1 492 . 9 1 1 A 42 42 ASN HA H 42 4.483 4.537 -0.054 1
1 497 . 9 1 1 A 42 42 ASN CA C 42 54.383 55.929 -1.546 1
1 498 . 9 1 1 A 42 42 ASN CB C 42 38.853 37.561 1.292 1
1 499 . 9 1 1 A 42 42 ASN N N 42 119.282 117.561 1.721 1
1 501 . 9 1 1 A 43 43 ARG H H 43 8.048 7.769 0.279 1
1 502 . 9 1 1 A 43 43 ARG HA H 43 4.130 4.100 0.030 1
1 509 . 9 1 1 A 43 43 ARG CA C 43 57.429 59.741 -2.312 1
1 510 . 9 1 1 A 43 43 ARG CB C 43 30.503 29.984 0.519 1
1 513 . 9 1 1 A 43 43 ARG N N 43 121.050 119.594 1.456 1
1 514 . 9 1 1 A 44 44 SER H H 44 8.111 8.130 -0.019 1
1 515 . 9 1 1 A 44 44 SER HA H 44 4.262 4.416 -0.154 1
1 518 . 9 1 1 A 44 44 SER CA C 44 59.660 60.754 -1.094 1
1 519 . 9 1 1 A 44 44 SER CB C 44 63.810 63.491 0.319 1
1 520 . 9 1 1 A 44 44 SER N N 44 115.587 114.454 1.133 1
1 521 . 9 1 1 A 45 45 LYS H H 45 7.968 7.477 0.491 1
1 522 . 9 1 1 A 45 45 LYS HA H 45 4.132 4.022 0.110 1
1 526 . 9 1 1 A 45 45 LYS CA C 45 57.193 58.793 -1.600 1
1 527 . 9 1 1 A 45 45 LYS CB C 45 32.534 32.256 0.278 1
1 529 . 9 1 1 A 45 45 LYS N N 45 122.205 123.070 -0.865 1
1 530 . 9 1 1 A 46 46 ALA H H 46 7.936 7.488 0.448 1
1 531 . 9 1 1 A 46 46 ALA HA H 46 4.179 4.504 -0.325 1
1 535 . 9 1 1 A 46 46 ALA CA C 46 53.196 51.154 2.042 1
1 536 . 9 1 1 A 46 46 ALA CB C 46 19.279 20.014 -0.735 1
1 537 . 9 1 1 A 46 46 ALA N N 46 123.430 117.857 5.573 1
1 538 . 9 1 1 A 47 47 LEU H H 47 7.873 7.674 0.199 1
1 539 . 9 1 1 A 47 47 LEU HA H 47 4.147 4.003 0.144 1
1 549 . 9 1 1 A 47 47 LEU CA C 47 55.854 56.125 -0.271 1
1 550 . 9 1 1 A 47 47 LEU CB C 47 42.536 41.792 0.744 1
1 554 . 9 1 1 A 47 47 LEU N N 47 119.760 121.069 -1.309 1
1 555 . 9 1 1 A 48 48 PHE H H 48 7.960 9.440 -1.480 1
1 556 . 9 1 1 A 48 48 PHE HA H 48 4.540 4.388 0.152 1
1 561 . 9 1 1 A 48 48 PHE CA C 48 58.150 58.935 -0.785 1
1 562 . 9 1 1 A 48 48 PHE CB C 48 39.499 37.882 1.617 1
1 563 . 9 1 1 A 48 48 PHE N N 48 119.481 126.608 -7.127 1
1 564 . 9 1 1 A 49 49 SER H H 49 8.011 8.093 -0.082 1
1 565 . 9 1 1 A 49 49 SER HA H 49 4.333 3.837 0.496 1
1 566 . 9 1 1 A 49 49 SER CA C 49 58.675 61.897 -3.222 1
1 567 . 9 1 1 A 49 49 SER N N 49 116.263 116.173 0.090 1
1 568 . 9 1 1 A 50 50 GLN H H 50 8.252 7.817 0.435 1
1 569 . 9 1 1 A 50 50 GLN HA H 50 4.250 4.287 -0.037 1
1 576 . 9 1 1 A 50 50 GLN CA C 50 56.570 57.334 -0.764 1
1 577 . 9 1 1 A 50 50 GLN CB C 50 29.372 29.661 -0.289 1
1 579 . 9 1 1 A 50 50 GLN N N 50 121.890 118.576 3.314 1
1 581 . 9 1 1 A 51 51 SER H H 51 8.143 8.211 -0.068 1
1 582 . 9 1 1 A 51 51 SER HA H 51 4.332 4.780 -0.448 1
1 583 . 9 1 1 A 51 51 SER CA C 51 58.848 58.650 0.198 1
1 584 . 9 1 1 A 51 51 SER N N 51 115.677 112.140 3.537 1
1 585 . 9 1 1 A 52 52 ALA H H 52 8.168 8.382 -0.214 1
1 586 . 9 1 1 A 52 52 ALA HA H 52 4.261 4.536 -0.275 1
1 590 . 9 1 1 A 52 52 ALA CA C 52 53.119 53.647 -0.528 1
1 591 . 9 1 1 A 52 52 ALA CB C 52 19.175 20.660 -1.485 1
1 592 . 9 1 1 A 52 52 ALA N N 52 125.354 121.397 3.957 1
1 593 . 9 1 1 A 53 53 ILE H H 53 7.858 7.675 0.183 1
1 594 . 9 1 1 A 53 53 ILE HA H 53 4.094 4.976 -0.882 1
1 604 . 9 1 1 A 53 53 ILE CA C 53 61.666 59.795 1.871 1
1 605 . 9 1 1 A 53 53 ILE CB C 53 39.015 42.466 -3.451 1
1 609 . 9 1 1 A 53 53 ILE N N 53 118.218 117.210 1.008 1
1 610 . 9 1 1 A 54 54 SER H H 54 8.152 8.287 -0.135 1
1 611 . 9 1 1 A 54 54 SER HA H 54 4.348 4.330 0.018 1
1 614 . 9 1 1 A 54 54 SER CA C 54 58.678 59.652 -0.974 1
1 615 . 9 1 1 A 54 54 SER CB C 54 64.002 63.704 0.298 1
1 616 . 9 1 1 A 54 54 SER N N 54 118.590 120.825 -2.235 1
1 617 . 9 1 1 A 55 55 GLN H H 55 8.298 8.624 -0.326 1
1 618 . 9 1 1 A 55 55 GLN HA H 55 4.198 2.692 1.506 1
1 625 . 9 1 1 A 55 55 GLN CA C 55 56.690 57.502 -0.812 1
1 626 . 9 1 1 A 55 55 GLN CB C 55 29.393 28.192 1.201 1
1 628 . 9 1 1 A 55 55 GLN N N 55 122.154 122.970 -0.816 1
1 630 . 9 1 1 A 56 56 LYS H H 56 8.153 7.827 0.326 1
1 631 . 9 1 1 A 56 56 LYS HA H 56 4.161 4.493 -0.332 1
1 636 . 9 1 1 A 56 56 LYS CA C 56 57.174 56.508 0.666 1
1 637 . 9 1 1 A 56 56 LYS CB C 56 32.991 33.551 -0.560 1
1 639 . 9 1 1 A 56 56 LYS N N 56 121.127 117.634 3.493 1
1 640 . 9 1 1 A 57 57 GLU H H 57 8.201 8.124 0.077 1
1 641 . 9 1 1 A 57 57 GLU HA H 57 4.151 4.428 -0.277 1
1 646 . 9 1 1 A 57 57 GLU CA C 57 57.273 57.554 -0.281 1
1 647 . 9 1 1 A 57 57 GLU CB C 57 30.262 30.232 0.030 1
1 649 . 9 1 1 A 57 57 GLU N N 57 120.626 117.512 3.114 1
1 650 . 9 1 1 A 58 58 TYR H H 58 8.057 8.495 -0.438 1
1 651 . 9 1 1 A 58 58 TYR HA H 58 4.375 4.431 -0.056 1
1 658 . 9 1 1 A 58 58 TYR CA C 58 58.721 59.611 -0.890 1
1 659 . 9 1 1 A 58 58 TYR CB C 58 39.096 37.263 1.833 1
1 660 . 9 1 1 A 58 58 TYR N N 58 120.841 118.910 1.931 1
1 661 . 9 1 1 A 59 59 ASP H H 59 8.144 8.312 -0.168 1
1 662 . 9 1 1 A 59 59 ASP HA H 59 4.493 4.188 0.305 1
1 665 . 9 1 1 A 59 59 ASP CA C 59 54.505 56.901 -2.396 1
1 666 . 9 1 1 A 59 59 ASP CB C 59 41.233 41.630 -0.397 1
1 667 . 9 1 1 A 59 59 ASP N N 59 122.549 122.512 0.037 1
1 668 . 9 1 1 A 60 60 SER H H 60 8.245 7.981 0.264 1
1 669 . 9 1 1 A 60 60 SER HA H 60 4.255 4.123 0.132 1
1 670 . 9 1 1 A 60 60 SER CA C 60 59.650 61.078 -1.428 1
1 671 . 9 1 1 A 60 60 SER N N 60 117.646 115.711 1.935 1
1 672 . 9 1 1 A 61 61 SER H H 61 8.329 7.913 0.416 1
1 673 . 9 1 1 A 61 61 SER HA H 61 4.307 4.426 -0.119 1
1 676 . 9 1 1 A 61 61 SER CA C 61 59.882 60.422 -0.540 1
1 677 . 9 1 1 A 61 61 SER CB C 61 63.888 63.636 0.252 1
1 678 . 9 1 1 A 61 61 SER N N 61 118.138 117.686 0.452 1
1 679 . 9 1 1 A 62 62 LEU H H 62 7.753 7.064 0.689 1
1 680 . 9 1 1 A 62 62 LEU HA H 62 4.227 4.065 0.162 1
1 690 . 9 1 1 A 62 62 LEU CA C 62 55.640 56.699 -1.059 1
1 691 . 9 1 1 A 62 62 LEU CB C 62 42.389 43.024 -0.635 1
1 695 . 9 1 1 A 62 62 LEU N N 62 122.616 119.001 3.615 1
1 696 . 9 1 1 A 63 63 ALA H H 63 7.908 7.982 -0.074 1
1 697 . 9 1 1 A 63 63 ALA HA H 63 4.266 4.516 -0.250 1
1 701 . 9 1 1 A 63 63 ALA CA C 63 53.071 51.089 1.982 1
1 702 . 9 1 1 A 63 63 ALA CB C 63 19.373 19.217 0.156 1
1 703 . 9 1 1 A 63 63 ALA N N 63 123.326 118.818 4.508 1
1 704 . 9 1 1 A 64 64 THR H H 64 7.855 8.588 -0.733 1
1 705 . 9 1 1 A 64 64 THR HA H 64 4.212 3.958 0.254 1
1 710 . 9 1 1 A 64 64 THR CA C 64 61.955 64.829 -2.874 1
1 711 . 9 1 1 A 64 64 THR CB C 64 69.997 68.610 1.387 1
1 713 . 9 1 1 A 64 64 THR N N 64 112.019 118.539 -6.520 1
1 714 . 9 1 1 A 65 65 LEU H H 65 7.970 9.258 -1.288 1
1 715 . 9 1 1 A 65 65 LEU HA H 65 4.290 3.862 0.428 1
1 725 . 9 1 1 A 65 65 LEU CA C 65 55.509 56.077 -0.568 1
1 726 . 9 1 1 A 65 65 LEU CB C 65 42.619 40.247 2.372 1
1 730 . 9 1 1 A 65 65 LEU N N 65 123.564 127.259 -3.695 1
1 731 . 9 1 1 A 66 66 ASP H H 66 8.271 8.662 -0.391 1
1 732 . 9 1 1 A 66 66 ASP HA H 66 4.538 4.300 0.238 1
1 735 . 9 1 1 A 66 66 ASP CA C 66 54.906 54.887 0.019 1
1 736 . 9 1 1 A 66 66 ASP CB C 66 41.384 38.553 2.831 1
1 737 . 9 1 1 A 66 66 ASP N N 66 120.385 116.892 3.493 1
1 738 . 9 1 1 A 67 67 HIS H H 67 8.020 7.852 0.168 1
1 739 . 9 1 1 A 67 67 HIS HA H 67 5.236 5.061 0.175 1
1 744 . 9 1 1 A 67 67 HIS CA C 67 55.411 56.778 -1.367 1
1 745 . 9 1 1 A 67 67 HIS CB C 67 32.135 31.119 1.016 1
1 746 . 9 1 1 A 67 67 HIS N N 67 119.214 118.437 0.777 1
1 747 . 9 1 1 A 68 68 THR H H 68 8.903 8.771 0.132 1
1 748 . 9 1 1 A 68 68 THR HA H 68 4.474 4.886 -0.412 1
1 753 . 9 1 1 A 68 68 THR CA C 68 62.536 60.938 1.598 1
1 754 . 9 1 1 A 68 68 THR CB C 68 71.267 72.293 -1.026 1
1 756 . 9 1 1 A 68 68 THR N N 68 117.138 114.578 2.560 1
1 757 . 9 1 1 A 69 69 GLU H H 69 8.630 8.901 -0.271 1
1 758 . 9 1 1 A 69 69 GLU HA H 69 4.480 5.184 -0.704 1
1 763 . 9 1 1 A 69 69 GLU CA C 69 56.016 54.731 1.285 1
1 764 . 9 1 1 A 69 69 GLU CB C 69 31.824 33.220 -1.396 1
1 766 . 9 1 1 A 69 69 GLU N N 69 124.226 122.904 1.322 1
1 767 . 9 1 1 A 70 70 ILE H H 70 8.589 9.238 -0.649 1
1 768 . 9 1 1 A 70 70 ILE HA H 70 4.405 4.851 -0.446 1
1 778 . 9 1 1 A 70 70 ILE CA C 70 59.367 59.798 -0.431 1
1 779 . 9 1 1 A 70 70 ILE CB C 70 37.492 40.148 -2.656 1
1 783 . 9 1 1 A 70 70 ILE N N 70 123.526 124.660 -1.134 1
1 784 . 9 1 1 A 71 71 LYS H H 71 8.910 8.828 0.082 1
1 785 . 9 1 1 A 71 71 LYS HA H 71 5.070 4.977 0.093 1
1 790 . 9 1 1 A 71 71 LYS CA C 71 54.732 54.238 0.494 1
1 791 . 9 1 1 A 71 71 LYS CB C 71 36.388 36.169 0.219 1
1 793 . 9 1 1 A 71 71 LYS N N 71 128.313 125.518 2.795 1
1 794 . 9 1 1 A 72 72 ALA H H 72 8.623 8.930 -0.307 1
1 795 . 9 1 1 A 72 72 ALA HA H 72 4.060 4.286 -0.226 1
1 799 . 9 1 1 A 72 72 ALA CA C 72 50.119 51.014 -0.895 1
1 800 . 9 1 1 A 72 72 ALA CB C 72 17.261 17.697 -0.436 1
1 801 . 9 1 1 A 72 72 ALA N N 72 123.091 125.127 -2.036 1
1 802 . 9 1 1 A 73 73 PRO HA H 73 4.328 4.399 -0.071 1
1 809 . 9 1 1 A 73 73 PRO CA C 73 63.731 64.349 -0.618 1
1 810 . 9 1 1 A 73 73 PRO CB C 73 32.196 31.820 0.376 1
1 813 . 9 1 1 A 74 74 PHE H H 74 6.758 6.822 -0.064 1
1 814 . 9 1 1 A 74 74 PHE HA H 74 4.414 4.827 -0.413 1
1 821 . 9 1 1 A 74 74 PHE CA C 74 54.539 56.209 -1.670 1
1 822 . 9 1 1 A 74 74 PHE CB C 74 40.862 40.242 0.620 1
1 823 . 9 1 1 A 74 74 PHE N N 74 112.045 113.309 -1.264 1
1 824 . 9 1 1 A 75 75 ASP H H 75 8.563 8.826 -0.263 1
1 825 . 9 1 1 A 75 75 ASP HA H 75 4.915 4.709 0.206 1
1 828 . 9 1 1 A 75 75 ASP CA C 75 54.108 55.526 -1.418 1
1 829 . 9 1 1 A 75 75 ASP CB C 75 41.011 41.428 -0.417 1
1 830 . 9 1 1 A 75 75 ASP N N 75 118.284 120.604 -2.320 1
1 831 . 9 1 1 A 76 76 GLY H H 76 8.340 8.472 -0.132 1
1 832 . 9 1 1 A 76 76 GLY HA2 H 76 4.228 4.299 -0.071 1
1 833 . 9 1 1 A 76 76 GLY HA3 H 76 4.070 4.420 -0.350 1
1 834 . 9 1 1 A 76 76 GLY CA C 76 46.761 46.377 0.384 1
1 835 . 9 1 1 A 76 76 GLY N N 76 108.739 112.349 -3.610 1
1 836 . 9 1 1 A 77 77 THR H H 77 8.607 8.993 -0.386 1
1 837 . 9 1 1 A 77 77 THR HA H 77 4.966 5.219 -0.253 1
1 842 . 9 1 1 A 77 77 THR CA C 77 61.891 59.628 2.263 1
1 843 . 9 1 1 A 77 77 THR CB C 77 70.413 72.466 -2.053 1
1 845 . 9 1 1 A 77 77 THR N N 77 116.423 114.336 2.087 1
1 846 . 9 1 1 A 78 78 ILE H H 78 8.815 8.627 0.188 1
1 847 . 9 1 1 A 78 78 ILE HA H 78 4.656 4.893 -0.237 1
1 857 . 9 1 1 A 78 78 ILE CA C 78 60.214 59.614 0.600 1
1 858 . 9 1 1 A 78 78 ILE CB C 78 43.110 41.811 1.299 1
1 862 . 9 1 1 A 78 78 ILE N N 78 129.313 124.102 5.211 1
1 863 . 9 1 1 A 79 79 GLY H H 79 8.052 8.914 -0.862 1
1 864 . 9 1 1 A 79 79 GLY HA2 H 79 4.394 4.148 0.246 1
1 865 . 9 1 1 A 79 79 GLY HA3 H 79 3.765 4.155 -0.390 1
1 866 . 9 1 1 A 79 79 GLY CA C 79 44.297 44.324 -0.027 1
1 867 . 9 1 1 A 79 79 GLY N N 79 114.522 116.363 -1.841 1
1 868 . 9 1 1 A 80 80 ASP H H 80 7.792 8.531 -0.739 1
1 869 . 9 1 1 A 80 80 ASP HA H 80 4.706 4.592 0.114 1
1 872 . 9 1 1 A 80 80 ASP CA C 80 53.784 54.641 -0.857 1
1 873 . 9 1 1 A 80 80 ASP CB C 80 42.062 40.887 1.175 1
1 874 . 9 1 1 A 80 80 ASP N N 80 113.706 118.465 -4.759 1
1 875 . 9 1 1 A 81 81 ALA H H 81 8.552 8.625 -0.073 1
1 876 . 9 1 1 A 81 81 ALA HA H 81 4.567 4.695 -0.128 1
1 880 . 9 1 1 A 81 81 ALA CA C 81 53.345 52.799 0.546 1
1 881 . 9 1 1 A 81 81 ALA CB C 81 20.325 19.408 0.917 1
1 882 . 9 1 1 A 81 81 ALA N N 81 124.168 126.351 -2.183 1
1 883 . 9 1 1 A 82 82 LEU H H 82 8.734 9.382 -0.648 1
1 884 . 9 1 1 A 82 82 LEU HA H 82 4.338 4.742 -0.404 1
1 893 . 9 1 1 A 82 82 LEU CA C 82 55.320 54.294 1.026 1
1 894 . 9 1 1 A 82 82 LEU CB C 82 41.616 43.477 -1.861 1
1 897 . 9 1 1 A 82 82 LEU N N 82 121.830 120.795 1.035 1
1 898 . 9 1 1 A 83 83 VAL H H 83 7.136 7.689 -0.553 1
1 899 . 9 1 1 A 83 83 VAL HA H 83 4.489 4.882 -0.393 1
1 907 . 9 1 1 A 83 83 VAL CA C 83 58.552 58.799 -0.247 1
1 908 . 9 1 1 A 83 83 VAL CB C 83 35.418 36.150 -0.732 1
1 911 . 9 1 1 A 83 83 VAL N N 83 108.193 114.440 -6.247 1
1 912 . 9 1 1 A 84 84 ASN H H 84 9.073 9.065 0.008 1
1 913 . 9 1 1 A 84 84 ASN HA H 84 4.872 5.293 -0.421 1
1 918 . 9 1 1 A 84 84 ASN CA C 84 51.417 51.459 -0.042 1
1 919 . 9 1 1 A 84 84 ASN CB C 84 42.127 43.001 -0.874 1
1 920 . 9 1 1 A 84 84 ASN N N 84 119.533 119.558 -0.025 1
1 922 . 9 1 1 A 85 85 ILE H H 85 8.390 8.515 -0.125 1
1 923 . 9 1 1 A 85 85 ILE HA H 85 3.384 3.698 -0.314 1
1 933 . 9 1 1 A 85 85 ILE CA C 85 63.985 64.076 -0.091 1
1 934 . 9 1 1 A 85 85 ILE CB C 85 37.368 37.306 0.062 1
1 938 . 9 1 1 A 85 85 ILE N N 85 119.414 122.169 -2.755 1
1 939 . 9 1 1 A 86 86 GLY H H 86 9.229 8.773 0.456 1
1 940 . 9 1 1 A 86 86 GLY HA2 H 86 4.392 4.077 0.315 1
1 941 . 9 1 1 A 86 86 GLY HA3 H 86 3.412 4.083 -0.671 1
1 942 . 9 1 1 A 86 86 GLY CA C 86 44.946 44.928 0.018 1
1 943 . 9 1 1 A 86 86 GLY N N 86 117.337 115.525 1.812 1
1 944 . 9 1 1 A 87 87 ASP H H 87 7.956 8.251 -0.295 1
1 945 . 9 1 1 A 87 87 ASP HA H 87 4.599 4.696 -0.097 1
1 948 . 9 1 1 A 87 87 ASP CA C 87 55.055 54.935 0.120 1
1 949 . 9 1 1 A 87 87 ASP CB C 87 40.978 41.196 -0.218 1
1 950 . 9 1 1 A 87 87 ASP N N 87 121.511 122.003 -0.492 1
1 951 . 9 1 1 A 88 88 TYR H H 88 8.545 8.911 -0.366 1
1 952 . 9 1 1 A 88 88 TYR HA H 88 4.718 4.820 -0.102 1
1 959 . 9 1 1 A 88 88 TYR CA C 88 57.954 59.704 -1.750 1
1 960 . 9 1 1 A 88 88 TYR CB C 88 39.411 39.317 0.094 1
1 961 . 9 1 1 A 88 88 TYR N N 88 122.327 126.177 -3.850 1
1 962 . 9 1 1 A 89 89 VAL H H 89 8.937 8.313 0.624 1
1 963 . 9 1 1 A 89 89 VAL HA H 89 4.565 4.601 -0.036 1
1 971 . 9 1 1 A 89 89 VAL CA C 89 58.580 59.187 -0.607 1
1 972 . 9 1 1 A 89 89 VAL CB C 89 34.504 36.050 -1.546 1
1 975 . 9 1 1 A 89 89 VAL N N 89 121.838 121.078 0.760 1
1 976 . 9 1 1 A 90 90 SER H H 90 8.761 8.395 0.366 1
1 977 . 9 1 1 A 90 90 SER HA H 90 4.562 5.027 -0.465 1
1 980 . 9 1 1 A 90 90 SER CA C 90 56.974 56.036 0.938 1
1 981 . 9 1 1 A 90 90 SER CB C 90 65.027 65.338 -0.311 1
1 982 . 9 1 1 A 90 90 SER N N 90 114.806 116.271 -1.465 1
1 983 . 9 1 1 A 91 91 ALA H H 91 8.692 8.977 -0.285 1
1 984 . 9 1 1 A 91 91 ALA HA H 91 3.505 4.037 -0.532 1
1 988 . 9 1 1 A 91 91 ALA CA C 91 53.471 54.712 -1.241 1
1 989 . 9 1 1 A 91 91 ALA CB C 91 18.719 18.387 0.332 1
1 990 . 9 1 1 A 91 91 ALA N N 91 129.873 129.152 0.721 1
1 991 . 9 1 1 A 92 92 SER H H 92 9.156 7.874 1.282 1
1 992 . 9 1 1 A 92 92 SER HA H 92 3.804 4.633 -0.829 1
1 995 . 9 1 1 A 92 92 SER CA C 92 60.827 57.475 3.352 1
1 996 . 9 1 1 A 92 92 SER CB C 92 62.630 64.816 -2.186 1
1 997 . 9 1 1 A 92 92 SER N N 92 113.297 108.483 4.814 1
1 998 . 9 1 1 A 93 93 THR H H 93 7.806 7.867 -0.061 1
1 999 . 9 1 1 A 93 93 THR HA H 93 4.387 4.405 -0.018 1
1 1004 . 9 1 1 A 93 93 THR CA C 93 64.607 63.221 1.386 1
1 1005 . 9 1 1 A 93 93 THR CB C 93 71.127 69.810 1.317 1
1 1007 . 9 1 1 A 93 93 THR N N 93 113.896 114.622 -0.726 1
1 1008 . 9 1 1 A 94 94 THR H H 94 7.691 7.194 0.497 1
1 1009 . 9 1 1 A 94 94 THR HA H 94 3.899 4.909 -1.010 1
1 1014 . 9 1 1 A 94 94 THR CA C 94 65.258 61.628 3.630 1
1 1015 . 9 1 1 A 94 94 THR CB C 94 70.283 71.283 -1.000 1
1 1017 . 9 1 1 A 94 94 THR N N 94 119.603 115.270 4.333 1
1 1018 . 9 1 1 A 95 95 GLU H H 95 8.389 8.967 -0.578 1
1 1019 . 9 1 1 A 95 95 GLU HA H 95 3.793 4.570 -0.777 1
1 1024 . 9 1 1 A 95 95 GLU CA C 95 56.783 55.136 1.647 1
1 1025 . 9 1 1 A 95 95 GLU CB C 95 29.777 31.381 -1.604 1
1 1027 . 9 1 1 A 95 95 GLU N N 95 124.816 126.584 -1.768 1
1 1028 . 9 1 1 A 96 96 LEU H H 96 8.735 8.789 -0.054 1
1 1029 . 9 1 1 A 96 96 LEU HA H 96 4.249 4.256 -0.007 1
1 1039 . 9 1 1 A 96 96 LEU CA C 96 57.071 55.876 1.195 1
1 1040 . 9 1 1 A 96 96 LEU CB C 96 43.517 41.960 1.557 1
1 1044 . 9 1 1 A 96 96 LEU N N 96 120.104 126.204 -6.100 1
1 1045 . 9 1 1 A 97 97 VAL H H 97 7.049 7.297 -0.248 1
1 1046 . 9 1 1 A 97 97 VAL HA H 97 4.334 4.353 -0.019 1
1 1054 . 9 1 1 A 97 97 VAL CA C 97 61.411 60.971 0.440 1
1 1055 . 9 1 1 A 97 97 VAL CB C 97 31.724 34.097 -2.373 1
1 1058 . 9 1 1 A 97 97 VAL N N 97 112.399 114.308 -1.909 1
1 1059 . 9 1 1 A 98 98 ARG H H 98 8.968 8.579 0.389 1
1 1060 . 9 1 1 A 98 98 ARG HA H 98 5.255 5.313 -0.058 1
1 1067 . 9 1 1 A 98 98 ARG CA C 98 55.391 54.661 0.730 1
1 1068 . 9 1 1 A 98 98 ARG CB C 98 32.925 33.305 -0.380 1
1 1071 . 9 1 1 A 98 98 ARG N N 98 127.489 121.557 5.932 1
1 1072 . 9 1 1 A 99 99 VAL H H 99 8.884 8.704 0.180 1
1 1073 . 9 1 1 A 99 99 VAL HA H 99 4.554 4.878 -0.324 1
1 1078 . 9 1 1 A 99 99 VAL CA C 99 60.996 61.140 -0.144 1
1 1079 . 9 1 1 A 99 99 VAL CB C 99 34.358 34.249 0.109 1
1 1081 . 9 1 1 A 99 99 VAL N N 99 122.863 122.408 0.455 1
1 1082 . 9 1 1 A 100 100 THR H H 100 8.823 9.221 -0.398 1
1 1083 . 9 1 1 A 100 100 THR HA H 100 4.552 5.280 -0.728 1
1 1088 . 9 1 1 A 100 100 THR CA C 100 61.105 60.392 0.713 1
1 1089 . 9 1 1 A 100 100 THR CB C 100 70.859 72.145 -1.286 1
1 1091 . 9 1 1 A 100 100 THR N N 100 121.813 121.943 -0.130 1
1 1092 . 9 1 1 A 101 101 ASN H H 101 8.146 8.781 -0.635 1
1 1093 . 9 1 1 A 101 101 ASN HA H 101 4.505 4.901 -0.396 1
1 1098 . 9 1 1 A 101 101 ASN CA C 101 54.283 52.637 1.646 1
1 1099 . 9 1 1 A 101 101 ASN CB C 101 38.631 39.248 -0.617 1
1 1100 . 9 1 1 A 101 101 ASN N N 101 122.582 124.432 -1.850 1
1 1102 . 9 1 1 A 102 102 LEU H H 102 8.154 8.276 -0.122 1
1 1103 . 9 1 1 A 102 102 LEU HA H 102 4.236 4.870 -0.634 1
1 1113 . 9 1 1 A 102 102 LEU CA C 102 55.618 53.352 2.266 1
1 1114 . 9 1 1 A 102 102 LEU CB C 102 42.842 44.075 -1.233 1
1 1118 . 9 1 1 A 102 102 LEU N N 102 122.572 120.063 2.509 1
1 1119 . 9 1 1 A 103 103 ASN H H 103 8.393 8.721 -0.328 1
1 1120 . 9 1 1 A 103 103 ASN HA H 103 4.862 4.742 0.120 1
1 1125 . 9 1 1 A 103 103 ASN CA C 103 51.431 51.949 -0.518 1
1 1126 . 9 1 1 A 103 103 ASN CB C 103 39.172 37.669 1.503 1
1 1127 . 9 1 1 A 103 103 ASN N N 103 120.155 118.901 1.254 1
1 1129 . 9 1 1 A 104 104 PRO HA H 104 4.224 4.452 -0.228 1
1 1136 . 9 1 1 A 104 104 PRO CA C 104 63.636 63.950 -0.314 1
1 1137 . 9 1 1 A 104 104 PRO CB C 104 32.301 32.140 0.161 1
1 1140 . 9 1 1 A 105 105 ILE H H 105 7.870 8.233 -0.363 1
1 1141 . 9 1 1 A 105 105 ILE HA H 105 3.934 3.240 0.694 1
1 1151 . 9 1 1 A 105 105 ILE CA C 105 61.566 62.738 -1.172 1
1 1152 . 9 1 1 A 105 105 ILE CB C 105 38.723 37.449 1.274 1
1 1156 . 9 1 1 A 105 105 ILE N N 105 119.425 116.803 2.622 1
1 1157 . 9 1 1 A 106 106 TYR H H 106 7.945 7.355 0.590 1
1 1158 . 9 1 1 A 106 106 TYR HA H 106 4.529 4.308 0.221 1
1 1165 . 9 1 1 A 106 106 TYR CA C 106 57.548 57.206 0.342 1
1 1166 . 9 1 1 A 106 106 TYR CB C 106 39.048 40.404 -1.356 1
1 1167 . 9 1 1 A 106 106 TYR N N 106 123.138 118.394 4.744 1
1 1168 . 9 1 1 A 107 107 ALA H H 107 8.113 7.766 0.347 1
1 1169 . 9 1 1 A 107 107 ALA HA H 107 4.213 3.842 0.371 1
1 1173 . 9 1 1 A 107 107 ALA CA C 107 52.847 52.957 -0.110 1
1 1174 . 9 1 1 A 107 107 ALA CB C 107 19.450 18.675 0.775 1
1 1175 . 9 1 1 A 107 107 ALA N N 107 125.476 122.091 3.385 1
1 1176 . 9 1 1 A 108 108 ASP H H 108 8.140 7.782 0.358 1
1 1177 . 9 1 1 A 108 108 ASP HA H 108 4.502 4.790 -0.288 1
1 1180 . 9 1 1 A 108 108 ASP CA C 108 54.515 53.211 1.304 1
1 1181 . 9 1 1 A 108 108 ASP CB C 108 41.436 41.701 -0.265 1
1 1182 . 9 1 1 A 108 108 ASP N N 108 119.275 117.611 1.664 1
1 1183 . 9 1 1 A 109 109 GLY H H 109 8.304 7.486 0.818 1
1 1184 . 9 1 1 A 109 109 GLY HA2 H 109 3.930 4.150 -0.220 1
1 1185 . 9 1 1 A 109 109 GLY HA3 H 109 3.844 4.152 -0.308 1
1 1186 . 9 1 1 A 109 109 GLY CA C 109 45.809 45.478 0.331 1
1 1187 . 9 1 1 A 109 109 GLY N N 109 109.463 108.751 0.712 1
1 1188 . 9 1 1 A 110 110 SER H H 110 8.169 8.884 -0.715 1
1 1189 . 9 1 1 A 110 110 SER HA H 110 4.263 5.039 -0.776 1
1 1190 . 9 1 1 A 110 110 SER CA C 110 59.017 57.649 1.368 1
1 1191 . 9 1 1 A 110 110 SER N N 110 115.630 115.809 -0.179 1
1 1192 . 9 1 1 A 111 111 HIS HA H 111 4.522 4.927 -0.405 1
1 1195 . 9 1 1 A 111 111 HIS CA C 111 56.269 54.982 1.287 1
1 1196 . 9 1 1 A 111 111 HIS CB C 111 30.558 29.585 0.973 1
1 1197 . 9 1 1 A 112 112 HIS HA H 112 4.341 4.032 0.309 1
1 1200 . 9 1 1 A 112 112 HIS CA C 112 57.660 59.077 -1.417 1
1 2 . 10 1 1 A 2 2 VAL H H 2 8.608 8.698 -0.090 1
1 3 . 10 1 1 A 2 2 VAL HA H 2 4.472 4.846 -0.374 1
1 11 . 10 1 1 A 2 2 VAL CA C 2 61.161 60.398 0.763 1
1 12 . 10 1 1 A 2 2 VAL CB C 2 35.825 35.843 -0.018 1
1 15 . 10 1 1 A 2 2 VAL N N 2 117.995 125.372 -7.377 1
1 16 . 10 1 1 A 3 3 ILE H H 3 8.424 8.845 -0.421 1
1 17 . 10 1 1 A 3 3 ILE HA H 3 4.489 4.581 -0.092 1
1 27 . 10 1 1 A 3 3 ILE CA C 3 60.273 60.451 -0.178 1
1 28 . 10 1 1 A 3 3 ILE CB C 3 38.595 38.369 0.226 1
1 32 . 10 1 1 A 3 3 ILE N N 3 125.647 126.938 -1.291 1
1 33 . 10 1 1 A 4 4 ILE H H 4 8.531 8.837 -0.306 1
1 34 . 10 1 1 A 4 4 ILE HA H 4 3.990 4.120 -0.130 1
1 44 . 10 1 1 A 4 4 ILE CA C 4 61.656 61.845 -0.189 1
1 45 . 10 1 1 A 4 4 ILE CB C 4 38.183 38.556 -0.373 1
1 49 . 10 1 1 A 4 4 ILE N N 4 127.472 130.282 -2.810 1
1 50 . 10 1 1 A 5 5 LYS H H 5 8.277 8.788 -0.511 1
1 51 . 10 1 1 A 5 5 LYS HA H 5 5.164 4.720 0.444 1
1 60 . 10 1 1 A 5 5 LYS CA C 5 53.440 52.919 0.521 1
1 61 . 10 1 1 A 5 5 LYS CB C 5 33.808 35.365 -1.557 1
1 65 . 10 1 1 A 5 5 LYS N N 5 126.697 126.710 -0.013 1
1 66 . 10 1 1 A 6 6 PRO HA H 6 4.370 4.750 -0.380 1
1 73 . 10 1 1 A 6 6 PRO CA C 6 62.493 62.120 0.373 1
1 74 . 10 1 1 A 6 6 PRO CB C 6 32.091 32.696 -0.605 1
1 77 . 10 1 1 A 7 7 GLN H H 7 9.334 8.329 1.005 1
1 78 . 10 1 1 A 7 7 GLN HA H 7 4.348 4.146 0.202 1
1 85 . 10 1 1 A 7 7 GLN CA C 7 56.384 56.794 -0.410 1
1 86 . 10 1 1 A 7 7 GLN CB C 7 28.934 28.553 0.381 1
1 88 . 10 1 1 A 7 7 GLN N N 7 119.944 119.262 0.682 1
1 90 . 10 1 1 A 8 8 VAL H H 8 7.021 7.306 -0.285 1
1 91 . 10 1 1 A 8 8 VAL HA H 8 4.476 4.871 -0.395 1
1 99 . 10 1 1 A 8 8 VAL CA C 8 58.999 58.829 0.170 1
1 100 . 10 1 1 A 8 8 VAL CB C 8 35.347 35.540 -0.193 1
1 103 . 10 1 1 A 8 8 VAL N N 8 111.118 114.779 -3.661 1
1 104 . 10 1 1 A 9 9 SER H H 9 8.155 8.535 -0.380 1
1 105 . 10 1 1 A 9 9 SER HA H 9 4.945 4.889 0.056 1
1 108 . 10 1 1 A 9 9 SER CA C 9 56.704 57.273 -0.569 1
1 109 . 10 1 1 A 9 9 SER CB C 9 64.645 65.103 -0.458 1
1 110 . 10 1 1 A 9 9 SER N N 9 114.983 116.823 -1.840 1
1 111 . 10 1 1 A 10 10 GLY H H 10 7.981 8.340 -0.359 1
1 112 . 10 1 1 A 10 10 GLY HA2 H 10 4.416 4.099 0.317 1
1 113 . 10 1 1 A 10 10 GLY HA3 H 10 3.643 4.125 -0.482 1
1 114 . 10 1 1 A 10 10 GLY CA C 10 45.433 44.994 0.439 1
1 115 . 10 1 1 A 10 10 GLY N N 10 108.602 107.355 1.247 1
1 116 . 10 1 1 A 11 11 VAL H H 11 8.018 7.959 0.059 1
1 117 . 10 1 1 A 11 11 VAL HA H 11 4.740 4.694 0.046 1
1 125 . 10 1 1 A 11 11 VAL CA C 11 60.580 60.566 0.014 1
1 126 . 10 1 1 A 11 11 VAL CB C 11 35.124 35.760 -0.636 1
1 129 . 10 1 1 A 11 11 VAL N N 11 118.346 120.447 -2.101 1
1 130 . 10 1 1 A 12 12 ILE H H 12 8.452 8.543 -0.091 1
1 131 . 10 1 1 A 12 12 ILE HA H 12 4.042 4.208 -0.166 1
1 141 . 10 1 1 A 12 12 ILE CA C 12 60.400 62.247 -1.847 1
1 142 . 10 1 1 A 12 12 ILE CB C 12 35.725 38.137 -2.412 1
1 146 . 10 1 1 A 12 12 ILE N N 12 125.267 125.685 -0.418 1
1 147 . 10 1 1 A 13 13 VAL H H 13 8.900 9.303 -0.403 1
1 148 . 10 1 1 A 13 13 VAL HA H 13 4.492 4.291 0.201 1
1 156 . 10 1 1 A 13 13 VAL CA C 13 62.168 63.336 -1.168 1
1 157 . 10 1 1 A 13 13 VAL CB C 13 33.406 33.786 -0.380 1
1 160 . 10 1 1 A 13 13 VAL N N 13 124.539 125.435 -0.896 1
1 161 . 10 1 1 A 14 14 ASN H H 14 7.649 7.443 0.206 1
1 162 . 10 1 1 A 14 14 ASN HA H 14 4.805 5.201 -0.396 1
1 167 . 10 1 1 A 14 14 ASN CA C 14 52.950 52.273 0.677 1
1 168 . 10 1 1 A 14 14 ASN CB C 14 42.149 41.973 0.176 1
1 169 . 10 1 1 A 14 14 ASN N N 14 115.008 116.754 -1.746 1
1 171 . 10 1 1 A 15 15 LYS H H 15 8.393 8.503 -0.110 1
1 172 . 10 1 1 A 15 15 LYS HA H 15 4.640 4.675 -0.035 1
1 179 . 10 1 1 A 15 15 LYS CA C 15 55.987 54.861 1.126 1
1 180 . 10 1 1 A 15 15 LYS CB C 15 35.412 33.265 2.147 1
1 183 . 10 1 1 A 15 15 LYS N N 15 123.820 122.205 1.615 1
1 184 . 10 1 1 A 16 16 LEU H H 16 8.015 8.446 -0.431 1
1 185 . 10 1 1 A 16 16 LEU HA H 16 4.983 3.909 1.074 1
1 195 . 10 1 1 A 16 16 LEU CA C 16 55.202 57.545 -2.343 1
1 196 . 10 1 1 A 16 16 LEU CB C 16 41.471 42.148 -0.677 1
1 200 . 10 1 1 A 16 16 LEU N N 16 126.200 126.310 -0.110 1
1 201 . 10 1 1 A 17 17 PHE H H 17 6.522 7.201 -0.679 1
1 202 . 10 1 1 A 17 17 PHE HA H 17 4.858 4.480 0.378 1
1 210 . 10 1 1 A 17 17 PHE CA C 17 55.675 55.797 -0.122 1
1 211 . 10 1 1 A 17 17 PHE CB C 17 41.329 40.856 0.473 1
1 212 . 10 1 1 A 17 17 PHE N N 17 113.650 116.230 -2.580 1
1 213 . 10 1 1 A 18 18 LYS H H 18 8.648 8.897 -0.249 1
1 214 . 10 1 1 A 18 18 LYS HA H 18 4.325 4.423 -0.098 1
1 223 . 10 1 1 A 18 18 LYS CA C 18 54.442 53.967 0.475 1
1 224 . 10 1 1 A 18 18 LYS CB C 18 35.233 35.754 -0.521 1
1 228 . 10 1 1 A 18 18 LYS N N 18 120.586 118.170 2.416 1
1 229 . 10 1 1 A 19 19 ALA H H 19 8.396 8.381 0.015 1
1 230 . 10 1 1 A 19 19 ALA HA H 19 3.956 4.307 -0.351 1
1 234 . 10 1 1 A 19 19 ALA CA C 19 54.151 53.880 0.271 1
1 235 . 10 1 1 A 19 19 ALA CB C 19 18.681 18.312 0.369 1
1 236 . 10 1 1 A 19 19 ALA N N 19 123.901 126.685 -2.784 1
1 237 . 10 1 1 A 20 20 GLY H H 20 8.806 8.939 -0.133 1
1 238 . 10 1 1 A 20 20 GLY HA2 H 20 4.299 4.008 0.291 1
1 239 . 10 1 1 A 20 20 GLY HA3 H 20 3.523 4.025 -0.502 1
1 240 . 10 1 1 A 20 20 GLY CA C 20 45.190 45.036 0.154 1
1 241 . 10 1 1 A 20 20 GLY N N 20 112.460 111.030 1.430 1
1 242 . 10 1 1 A 21 21 ASP H H 21 7.923 7.870 0.053 1
1 243 . 10 1 1 A 21 21 ASP HA H 21 4.489 4.756 -0.267 1
1 246 . 10 1 1 A 21 21 ASP CA C 21 55.477 53.322 2.155 1
1 247 . 10 1 1 A 21 21 ASP CB C 21 41.593 42.207 -0.614 1
1 248 . 10 1 1 A 21 21 ASP N N 21 121.531 121.926 -0.395 1
1 249 . 10 1 1 A 22 22 LYS H H 22 8.292 8.555 -0.263 1
1 250 . 10 1 1 A 22 22 LYS HA H 22 4.861 4.697 0.164 1
1 259 . 10 1 1 A 22 22 LYS CA C 22 55.789 56.284 -0.495 1
1 260 . 10 1 1 A 22 22 LYS CB C 22 31.948 33.894 -1.946 1
1 264 . 10 1 1 A 22 22 LYS N N 22 120.223 121.207 -0.984 1
1 265 . 10 1 1 A 23 23 VAL H H 23 8.929 8.748 0.181 1
1 266 . 10 1 1 A 23 23 VAL HA H 23 4.828 4.744 0.084 1
1 274 . 10 1 1 A 23 23 VAL CA C 23 58.619 59.105 -0.486 1
1 275 . 10 1 1 A 23 23 VAL CB C 23 34.776 35.569 -0.793 1
1 278 . 10 1 1 A 23 23 VAL N N 23 117.770 118.493 -0.723 1
1 279 . 10 1 1 A 24 24 LYS H H 24 7.952 8.476 -0.524 1
1 280 . 10 1 1 A 24 24 LYS HA H 24 4.828 4.440 0.388 1
1 289 . 10 1 1 A 24 24 LYS CA C 24 53.316 55.336 -2.020 1
1 290 . 10 1 1 A 24 24 LYS CB C 24 35.370 33.679 1.691 1
1 294 . 10 1 1 A 24 24 LYS N N 24 121.890 125.070 -3.180 1
1 295 . 10 1 1 A 25 25 LYS H H 25 8.903 8.577 0.326 1
1 296 . 10 1 1 A 25 25 LYS HA H 25 3.152 4.321 -1.169 1
1 304 . 10 1 1 A 25 25 LYS CA C 25 58.780 55.958 2.822 1
1 305 . 10 1 1 A 25 25 LYS CB C 25 32.788 31.705 1.083 1
1 309 . 10 1 1 A 25 25 LYS N N 25 121.717 122.408 -0.691 1
1 310 . 10 1 1 A 26 26 GLY H H 26 8.887 8.268 0.619 1
1 311 . 10 1 1 A 26 26 GLY HA2 H 26 4.277 3.999 0.278 1
1 312 . 10 1 1 A 26 26 GLY HA3 H 26 3.462 4.035 -0.573 1
1 313 . 10 1 1 A 26 26 GLY CA C 26 45.387 44.983 0.404 1
1 314 . 10 1 1 A 26 26 GLY N N 26 115.271 106.795 8.476 1
1 315 . 10 1 1 A 27 27 GLN H H 27 8.423 8.014 0.409 1
1 316 . 10 1 1 A 27 27 GLN HA H 27 4.134 4.327 -0.193 1
1 323 . 10 1 1 A 27 27 GLN CA C 27 56.461 56.131 0.330 1
1 324 . 10 1 1 A 27 27 GLN CB C 27 30.655 29.010 1.645 1
1 326 . 10 1 1 A 27 27 GLN N N 27 123.160 119.830 3.330 1
1 328 . 10 1 1 A 28 28 THR H H 28 9.094 8.773 0.321 1
1 329 . 10 1 1 A 28 28 THR HA H 28 3.884 4.189 -0.305 1
1 334 . 10 1 1 A 28 28 THR CA C 28 66.017 64.095 1.922 1
1 335 . 10 1 1 A 28 28 THR CB C 28 68.577 69.208 -0.631 1
1 337 . 10 1 1 A 28 28 THR N N 28 124.723 117.997 6.726 1
1 338 . 10 1 1 A 29 29 LEU H H 29 9.499 9.329 0.170 1
1 339 . 10 1 1 A 29 29 LEU HA H 29 4.373 4.399 -0.026 1
1 349 . 10 1 1 A 29 29 LEU CA C 29 55.960 55.678 0.282 1
1 350 . 10 1 1 A 29 29 LEU CB C 29 44.601 43.261 1.340 1
1 354 . 10 1 1 A 29 29 LEU N N 29 125.894 127.066 -1.172 1
1 355 . 10 1 1 A 30 30 PHE H H 30 7.572 7.657 -0.085 1
1 356 . 10 1 1 A 30 30 PHE HA H 30 5.360 5.425 -0.065 1
1 364 . 10 1 1 A 30 30 PHE CA C 30 55.655 56.001 -0.346 1
1 365 . 10 1 1 A 30 30 PHE CB C 30 45.053 43.189 1.864 1
1 366 . 10 1 1 A 30 30 PHE N N 30 111.166 114.625 -3.459 1
1 367 . 10 1 1 A 31 31 ILE H H 31 7.850 8.439 -0.589 1
1 368 . 10 1 1 A 31 31 ILE HA H 31 4.808 4.954 -0.146 1
1 378 . 10 1 1 A 31 31 ILE CA C 31 60.159 59.118 1.041 1
1 379 . 10 1 1 A 31 31 ILE CB C 31 39.584 41.767 -2.183 1
1 383 . 10 1 1 A 31 31 ILE N N 31 119.419 119.771 -0.352 1
1 384 . 10 1 1 A 32 32 ILE H H 32 9.095 9.098 -0.003 1
1 385 . 10 1 1 A 32 32 ILE HA H 32 4.830 5.239 -0.409 1
1 395 . 10 1 1 A 32 32 ILE CA C 32 59.205 59.779 -0.574 1
1 396 . 10 1 1 A 32 32 ILE CB C 32 42.206 41.752 0.454 1
1 400 . 10 1 1 A 32 32 ILE N N 32 127.930 126.344 1.586 1
1 401 . 10 1 1 A 33 33 GLU H H 33 9.089 9.060 0.029 1
1 402 . 10 1 1 A 33 33 GLU HA H 33 4.674 5.174 -0.500 1
1 407 . 10 1 1 A 33 33 GLU CA C 33 55.047 54.612 0.435 1
1 408 . 10 1 1 A 33 33 GLU CB C 33 31.851 32.378 -0.527 1
1 410 . 10 1 1 A 33 33 GLU N N 33 128.159 125.885 2.274 1
1 411 . 10 1 1 A 34 34 GLN H H 34 8.705 8.918 -0.213 1
1 412 . 10 1 1 A 34 34 GLN HA H 34 4.362 4.391 -0.029 1
1 419 . 10 1 1 A 34 34 GLN CA C 34 56.933 55.768 1.165 1
1 420 . 10 1 1 A 34 34 GLN CB C 34 30.273 28.200 2.073 1
1 422 . 10 1 1 A 34 34 GLN N N 34 128.144 125.680 2.464 1
1 424 . 10 1 1 A 35 35 ASP H H 35 8.488 8.419 0.069 1
1 425 . 10 1 1 A 35 35 ASP HA H 35 4.608 4.638 -0.030 1
1 428 . 10 1 1 A 35 35 ASP CA C 35 54.124 54.623 -0.499 1
1 429 . 10 1 1 A 35 35 ASP CB C 35 41.702 40.166 1.536 1
1 430 . 10 1 1 A 35 35 ASP N N 35 122.441 118.519 3.922 1
1 431 . 10 1 1 A 36 36 GLN H H 36 8.604 8.886 -0.282 1
1 432 . 10 1 1 A 36 36 GLN HA H 36 4.021 4.162 -0.141 1
1 439 . 10 1 1 A 36 36 GLN CA C 36 57.273 56.642 0.631 1
1 440 . 10 1 1 A 36 36 GLN CB C 36 29.266 27.807 1.459 1
1 442 . 10 1 1 A 36 36 GLN N N 36 123.042 123.214 -0.172 1
1 444 . 10 1 1 A 37 37 ALA H H 37 8.313 7.934 0.379 1
1 445 . 10 1 1 A 37 37 ALA HA H 37 4.212 4.063 0.149 1
1 449 . 10 1 1 A 37 37 ALA CA C 37 53.708 55.369 -1.661 1
1 450 . 10 1 1 A 37 37 ALA CB C 37 18.949 18.567 0.382 1
1 451 . 10 1 1 A 37 37 ALA N N 37 122.748 124.748 -2.000 1
1 452 . 10 1 1 A 38 38 SER H H 38 7.949 8.119 -0.170 1
1 453 . 10 1 1 A 38 38 SER HA H 38 4.285 4.249 0.036 1
1 456 . 10 1 1 A 38 38 SER CA C 38 59.468 61.364 -1.896 1
1 457 . 10 1 1 A 38 38 SER CB C 38 63.874 63.039 0.835 1
1 458 . 10 1 1 A 38 38 SER N N 38 113.828 114.521 -0.693 1
1 459 . 10 1 1 A 39 39 LYS H H 39 8.107 7.760 0.347 1
1 460 . 10 1 1 A 39 39 LYS HA H 39 4.124 4.030 0.094 1
1 469 . 10 1 1 A 39 39 LYS CA C 39 57.821 58.782 -0.961 1
1 470 . 10 1 1 A 39 39 LYS CB C 39 32.978 32.004 0.974 1
1 474 . 10 1 1 A 39 39 LYS N N 39 122.900 122.336 0.564 1
1 475 . 10 1 1 A 40 40 ASP H H 40 8.173 7.674 0.499 1
1 476 . 10 1 1 A 40 40 ASP HA H 40 4.477 4.929 -0.452 1
1 479 . 10 1 1 A 40 40 ASP CA C 40 55.164 55.317 -0.153 1
1 480 . 10 1 1 A 40 40 ASP CB C 40 41.359 42.265 -0.906 1
1 481 . 10 1 1 A 40 40 ASP N N 40 119.696 118.625 1.071 1
1 482 . 10 1 1 A 41 41 PHE H H 41 8.022 8.265 -0.243 1
1 483 . 10 1 1 A 41 41 PHE HA H 41 4.376 4.052 0.324 1
1 488 . 10 1 1 A 41 41 PHE CA C 41 59.354 61.378 -2.024 1
1 489 . 10 1 1 A 41 41 PHE CB C 41 39.414 38.669 0.745 1
1 490 . 10 1 1 A 41 41 PHE N N 41 121.310 120.221 1.089 1
1 491 . 10 1 1 A 42 42 ASN H H 42 8.247 8.727 -0.480 1
1 492 . 10 1 1 A 42 42 ASN HA H 42 4.483 4.382 0.101 1
1 497 . 10 1 1 A 42 42 ASN CA C 42 54.383 56.540 -2.157 1
1 498 . 10 1 1 A 42 42 ASN CB C 42 38.853 38.896 -0.043 1
1 499 . 10 1 1 A 42 42 ASN N N 42 119.282 117.408 1.874 1
1 501 . 10 1 1 A 43 43 ARG H H 43 8.048 8.056 -0.008 1
1 502 . 10 1 1 A 43 43 ARG HA H 43 4.130 4.077 0.053 1
1 509 . 10 1 1 A 43 43 ARG CA C 43 57.429 59.372 -1.943 1
1 510 . 10 1 1 A 43 43 ARG CB C 43 30.503 30.127 0.376 1
1 513 . 10 1 1 A 43 43 ARG N N 43 121.050 119.899 1.151 1
1 514 . 10 1 1 A 44 44 SER H H 44 8.111 8.300 -0.189 1
1 515 . 10 1 1 A 44 44 SER HA H 44 4.262 4.269 -0.007 1
1 518 . 10 1 1 A 44 44 SER CA C 44 59.660 60.879 -1.219 1
1 519 . 10 1 1 A 44 44 SER CB C 44 63.810 62.874 0.936 1
1 520 . 10 1 1 A 44 44 SER N N 44 115.587 115.341 0.246 1
1 521 . 10 1 1 A 45 45 LYS H H 45 7.968 7.752 0.216 1
1 522 . 10 1 1 A 45 45 LYS HA H 45 4.132 4.213 -0.081 1
1 526 . 10 1 1 A 45 45 LYS CA C 45 57.193 57.676 -0.483 1
1 527 . 10 1 1 A 45 45 LYS CB C 45 32.534 32.313 0.221 1
1 529 . 10 1 1 A 45 45 LYS N N 45 122.205 119.212 2.993 1
1 530 . 10 1 1 A 46 46 ALA H H 46 7.936 7.981 -0.045 1
1 531 . 10 1 1 A 46 46 ALA HA H 46 4.179 4.495 -0.316 1
1 535 . 10 1 1 A 46 46 ALA CA C 46 53.196 52.450 0.746 1
1 536 . 10 1 1 A 46 46 ALA CB C 46 19.279 18.000 1.279 1
1 537 . 10 1 1 A 46 46 ALA N N 46 123.430 122.076 1.354 1
1 538 . 10 1 1 A 47 47 LEU H H 47 7.873 8.089 -0.216 1
1 539 . 10 1 1 A 47 47 LEU HA H 47 4.147 4.086 0.061 1
1 549 . 10 1 1 A 47 47 LEU CA C 47 55.854 57.682 -1.828 1
1 550 . 10 1 1 A 47 47 LEU CB C 47 42.536 42.237 0.299 1
1 554 . 10 1 1 A 47 47 LEU N N 47 119.760 122.019 -2.259 1
1 555 . 10 1 1 A 48 48 PHE H H 48 7.960 7.792 0.168 1
1 556 . 10 1 1 A 48 48 PHE HA H 48 4.540 4.639 -0.099 1
1 561 . 10 1 1 A 48 48 PHE CA C 48 58.150 58.293 -0.143 1
1 562 . 10 1 1 A 48 48 PHE CB C 48 39.499 41.322 -1.823 1
1 563 . 10 1 1 A 48 48 PHE N N 48 119.481 116.016 3.465 1
1 564 . 10 1 1 A 49 49 SER H H 49 8.011 8.480 -0.469 1
1 565 . 10 1 1 A 49 49 SER HA H 49 4.333 4.331 0.002 1
1 566 . 10 1 1 A 49 49 SER CA C 49 58.675 60.949 -2.274 1
1 567 . 10 1 1 A 49 49 SER N N 49 116.263 114.254 2.009 1
1 568 . 10 1 1 A 50 50 GLN H H 50 8.252 7.630 0.622 1
1 569 . 10 1 1 A 50 50 GLN HA H 50 4.250 2.961 1.289 1
1 576 . 10 1 1 A 50 50 GLN CA C 50 56.570 58.032 -1.462 1
1 577 . 10 1 1 A 50 50 GLN CB C 50 29.372 27.608 1.764 1
1 579 . 10 1 1 A 50 50 GLN N N 50 121.890 121.653 0.237 1
1 581 . 10 1 1 A 51 51 SER H H 51 8.143 7.865 0.278 1
1 582 . 10 1 1 A 51 51 SER HA H 51 4.332 4.261 0.071 1
1 583 . 10 1 1 A 51 51 SER CA C 51 58.848 60.802 -1.954 1
1 584 . 10 1 1 A 51 51 SER N N 51 115.677 116.775 -1.098 1
1 585 . 10 1 1 A 52 52 ALA H H 52 8.168 7.648 0.520 1
1 586 . 10 1 1 A 52 52 ALA HA H 52 4.261 4.151 0.110 1
1 590 . 10 1 1 A 52 52 ALA CA C 52 53.119 54.883 -1.764 1
1 591 . 10 1 1 A 52 52 ALA CB C 52 19.175 18.758 0.417 1
1 592 . 10 1 1 A 52 52 ALA N N 52 125.354 122.811 2.543 1
1 593 . 10 1 1 A 53 53 ILE H H 53 7.858 8.133 -0.275 1
1 594 . 10 1 1 A 53 53 ILE HA H 53 4.094 4.297 -0.203 1
1 604 . 10 1 1 A 53 53 ILE CA C 53 61.666 62.303 -0.637 1
1 605 . 10 1 1 A 53 53 ILE CB C 53 39.015 40.194 -1.179 1
1 609 . 10 1 1 A 53 53 ILE N N 53 118.218 115.133 3.085 1
1 610 . 10 1 1 A 54 54 SER H H 54 8.152 7.834 0.318 1
1 611 . 10 1 1 A 54 54 SER HA H 54 4.348 4.610 -0.262 1
1 614 . 10 1 1 A 54 54 SER CA C 54 58.678 57.108 1.570 1
1 615 . 10 1 1 A 54 54 SER CB C 54 64.002 64.940 -0.938 1
1 616 . 10 1 1 A 54 54 SER N N 54 118.590 112.579 6.011 1
1 617 . 10 1 1 A 55 55 GLN H H 55 8.298 8.661 -0.363 1
1 618 . 10 1 1 A 55 55 GLN HA H 55 4.198 4.298 -0.100 1
1 625 . 10 1 1 A 55 55 GLN CA C 55 56.690 58.119 -1.429 1
1 626 . 10 1 1 A 55 55 GLN CB C 55 29.393 28.435 0.958 1
1 628 . 10 1 1 A 55 55 GLN N N 55 122.154 125.367 -3.213 1
1 630 . 10 1 1 A 56 56 LYS H H 56 8.153 8.027 0.126 1
1 631 . 10 1 1 A 56 56 LYS HA H 56 4.161 4.538 -0.377 1
1 636 . 10 1 1 A 56 56 LYS CA C 56 57.174 55.801 1.373 1
1 637 . 10 1 1 A 56 56 LYS CB C 56 32.991 33.671 -0.680 1
1 639 . 10 1 1 A 56 56 LYS N N 56 121.127 118.027 3.100 1
1 640 . 10 1 1 A 57 57 GLU H H 57 8.201 8.227 -0.026 1
1 641 . 10 1 1 A 57 57 GLU HA H 57 4.151 4.435 -0.284 1
1 646 . 10 1 1 A 57 57 GLU CA C 57 57.273 57.353 -0.080 1
1 647 . 10 1 1 A 57 57 GLU CB C 57 30.262 31.616 -1.354 1
1 649 . 10 1 1 A 57 57 GLU N N 57 120.626 117.078 3.548 1
1 650 . 10 1 1 A 58 58 TYR H H 58 8.057 8.586 -0.529 1
1 651 . 10 1 1 A 58 58 TYR HA H 58 4.375 4.331 0.044 1
1 658 . 10 1 1 A 58 58 TYR CA C 58 58.721 60.764 -2.043 1
1 659 . 10 1 1 A 58 58 TYR CB C 58 39.096 37.063 2.033 1
1 660 . 10 1 1 A 58 58 TYR N N 58 120.841 118.630 2.211 1
1 661 . 10 1 1 A 59 59 ASP H H 59 8.144 7.815 0.329 1
1 662 . 10 1 1 A 59 59 ASP HA H 59 4.493 3.934 0.559 1
1 665 . 10 1 1 A 59 59 ASP CA C 59 54.505 56.308 -1.803 1
1 666 . 10 1 1 A 59 59 ASP CB C 59 41.233 39.127 2.106 1
1 667 . 10 1 1 A 59 59 ASP N N 59 122.549 120.690 1.859 1
1 668 . 10 1 1 A 60 60 SER H H 60 8.245 7.978 0.267 1
1 669 . 10 1 1 A 60 60 SER HA H 60 4.255 4.186 0.069 1
1 670 . 10 1 1 A 60 60 SER CA C 60 59.650 60.987 -1.337 1
1 671 . 10 1 1 A 60 60 SER N N 60 117.646 115.187 2.459 1
1 672 . 10 1 1 A 61 61 SER H H 61 8.329 8.012 0.317 1
1 673 . 10 1 1 A 61 61 SER HA H 61 4.307 4.452 -0.145 1
1 676 . 10 1 1 A 61 61 SER CA C 61 59.882 59.577 0.305 1
1 677 . 10 1 1 A 61 61 SER CB C 61 63.888 63.832 0.056 1
1 678 . 10 1 1 A 61 61 SER N N 61 118.138 117.383 0.755 1
1 679 . 10 1 1 A 62 62 LEU H H 62 7.753 7.743 0.010 1
1 680 . 10 1 1 A 62 62 LEU HA H 62 4.227 4.400 -0.173 1
1 690 . 10 1 1 A 62 62 LEU CA C 62 55.640 55.960 -0.320 1
1 691 . 10 1 1 A 62 62 LEU CB C 62 42.389 43.167 -0.778 1
1 695 . 10 1 1 A 62 62 LEU N N 62 122.616 118.728 3.888 1
1 696 . 10 1 1 A 63 63 ALA H H 63 7.908 7.497 0.411 1
1 697 . 10 1 1 A 63 63 ALA HA H 63 4.266 4.542 -0.276 1
1 701 . 10 1 1 A 63 63 ALA CA C 63 53.071 51.686 1.385 1
1 702 . 10 1 1 A 63 63 ALA CB C 63 19.373 22.433 -3.060 1
1 703 . 10 1 1 A 63 63 ALA N N 63 123.326 116.103 7.223 1
1 704 . 10 1 1 A 64 64 THR H H 64 7.855 8.430 -0.575 1
1 705 . 10 1 1 A 64 64 THR HA H 64 4.212 4.941 -0.729 1
1 710 . 10 1 1 A 64 64 THR CA C 64 61.955 59.994 1.961 1
1 711 . 10 1 1 A 64 64 THR CB C 64 69.997 72.060 -2.063 1
1 713 . 10 1 1 A 64 64 THR N N 64 112.019 111.788 0.231 1
1 714 . 10 1 1 A 65 65 LEU H H 65 7.970 8.777 -0.807 1
1 715 . 10 1 1 A 65 65 LEU HA H 65 4.290 4.142 0.148 1
1 725 . 10 1 1 A 65 65 LEU CA C 65 55.509 54.567 0.942 1
1 726 . 10 1 1 A 65 65 LEU CB C 65 42.619 41.470 1.149 1
1 730 . 10 1 1 A 65 65 LEU N N 65 123.564 122.690 0.874 1
1 731 . 10 1 1 A 66 66 ASP H H 66 8.271 8.012 0.259 1
1 732 . 10 1 1 A 66 66 ASP HA H 66 4.538 4.221 0.317 1
1 735 . 10 1 1 A 66 66 ASP CA C 66 54.906 54.978 -0.072 1
1 736 . 10 1 1 A 66 66 ASP CB C 66 41.384 39.237 2.147 1
1 737 . 10 1 1 A 66 66 ASP N N 66 120.385 119.455 0.930 1
1 738 . 10 1 1 A 67 67 HIS H H 67 8.020 7.787 0.233 1
1 739 . 10 1 1 A 67 67 HIS HA H 67 5.236 5.093 0.143 1
1 744 . 10 1 1 A 67 67 HIS CA C 67 55.411 56.704 -1.293 1
1 745 . 10 1 1 A 67 67 HIS CB C 67 32.135 30.942 1.193 1
1 746 . 10 1 1 A 67 67 HIS N N 67 119.214 117.840 1.374 1
1 747 . 10 1 1 A 68 68 THR H H 68 8.903 8.826 0.077 1
1 748 . 10 1 1 A 68 68 THR HA H 68 4.474 4.825 -0.351 1
1 753 . 10 1 1 A 68 68 THR CA C 68 62.536 61.147 1.389 1
1 754 . 10 1 1 A 68 68 THR CB C 68 71.267 72.391 -1.124 1
1 756 . 10 1 1 A 68 68 THR N N 68 117.138 114.417 2.721 1
1 757 . 10 1 1 A 69 69 GLU H H 69 8.630 8.788 -0.158 1
1 758 . 10 1 1 A 69 69 GLU HA H 69 4.480 5.269 -0.789 1
1 763 . 10 1 1 A 69 69 GLU CA C 69 56.016 55.227 0.789 1
1 764 . 10 1 1 A 69 69 GLU CB C 69 31.824 32.340 -0.516 1
1 766 . 10 1 1 A 69 69 GLU N N 69 124.226 123.127 1.099 1
1 767 . 10 1 1 A 70 70 ILE H H 70 8.589 8.868 -0.279 1
1 768 . 10 1 1 A 70 70 ILE HA H 70 4.405 4.971 -0.566 1
1 778 . 10 1 1 A 70 70 ILE CA C 70 59.367 59.978 -0.611 1
1 779 . 10 1 1 A 70 70 ILE CB C 70 37.492 40.922 -3.430 1
1 783 . 10 1 1 A 70 70 ILE N N 70 123.526 121.679 1.847 1
1 784 . 10 1 1 A 71 71 LYS H H 71 8.910 8.560 0.350 1
1 785 . 10 1 1 A 71 71 LYS HA H 71 5.070 4.915 0.155 1
1 790 . 10 1 1 A 71 71 LYS CA C 71 54.732 54.230 0.502 1
1 791 . 10 1 1 A 71 71 LYS CB C 71 36.388 36.191 0.197 1
1 793 . 10 1 1 A 71 71 LYS N N 71 128.313 125.366 2.947 1
1 794 . 10 1 1 A 72 72 ALA H H 72 8.623 8.932 -0.309 1
1 795 . 10 1 1 A 72 72 ALA HA H 72 4.060 4.303 -0.243 1
1 799 . 10 1 1 A 72 72 ALA CA C 72 50.119 50.850 -0.731 1
1 800 . 10 1 1 A 72 72 ALA CB C 72 17.261 18.189 -0.928 1
1 801 . 10 1 1 A 72 72 ALA N N 72 123.091 125.162 -2.071 1
1 802 . 10 1 1 A 73 73 PRO HA H 73 4.328 4.415 -0.087 1
1 809 . 10 1 1 A 73 73 PRO CA C 73 63.731 64.339 -0.608 1
1 810 . 10 1 1 A 73 73 PRO CB C 73 32.196 31.805 0.391 1
1 813 . 10 1 1 A 74 74 PHE H H 74 6.758 6.848 -0.090 1
1 814 . 10 1 1 A 74 74 PHE HA H 74 4.414 4.912 -0.498 1
1 821 . 10 1 1 A 74 74 PHE CA C 74 54.539 56.105 -1.566 1
1 822 . 10 1 1 A 74 74 PHE CB C 74 40.862 40.477 0.385 1
1 823 . 10 1 1 A 74 74 PHE N N 74 112.045 112.957 -0.912 1
1 824 . 10 1 1 A 75 75 ASP H H 75 8.563 8.921 -0.358 1
1 825 . 10 1 1 A 75 75 ASP HA H 75 4.915 5.207 -0.292 1
1 828 . 10 1 1 A 75 75 ASP CA C 75 54.108 55.307 -1.199 1
1 829 . 10 1 1 A 75 75 ASP CB C 75 41.011 41.726 -0.715 1
1 830 . 10 1 1 A 75 75 ASP N N 75 118.284 120.723 -2.439 1
1 831 . 10 1 1 A 76 76 GLY H H 76 8.340 8.367 -0.027 1
1 832 . 10 1 1 A 76 76 GLY HA2 H 76 4.228 4.317 -0.089 1
1 833 . 10 1 1 A 76 76 GLY HA3 H 76 4.070 4.417 -0.347 1
1 834 . 10 1 1 A 76 76 GLY CA C 76 46.761 46.101 0.660 1
1 835 . 10 1 1 A 76 76 GLY N N 76 108.739 111.728 -2.989 1
1 836 . 10 1 1 A 77 77 THR H H 77 8.607 8.911 -0.304 1
1 837 . 10 1 1 A 77 77 THR HA H 77 4.966 5.254 -0.288 1
1 842 . 10 1 1 A 77 77 THR CA C 77 61.891 61.126 0.765 1
1 843 . 10 1 1 A 77 77 THR CB C 77 70.413 72.573 -2.160 1
1 845 . 10 1 1 A 77 77 THR N N 77 116.423 115.608 0.815 1
1 846 . 10 1 1 A 78 78 ILE H H 78 8.815 8.653 0.162 1
1 847 . 10 1 1 A 78 78 ILE HA H 78 4.656 4.970 -0.314 1
1 857 . 10 1 1 A 78 78 ILE CA C 78 60.214 59.567 0.647 1
1 858 . 10 1 1 A 78 78 ILE CB C 78 43.110 41.928 1.182 1
1 862 . 10 1 1 A 78 78 ILE N N 78 129.313 123.523 5.790 1
1 863 . 10 1 1 A 79 79 GLY H H 79 8.052 8.969 -0.917 1
1 864 . 10 1 1 A 79 79 GLY HA2 H 79 4.394 4.145 0.249 1
1 865 . 10 1 1 A 79 79 GLY HA3 H 79 3.765 4.148 -0.383 1
1 866 . 10 1 1 A 79 79 GLY CA C 79 44.297 44.296 0.001 1
1 867 . 10 1 1 A 79 79 GLY N N 79 114.522 116.432 -1.910 1
1 868 . 10 1 1 A 80 80 ASP H H 80 7.792 8.523 -0.731 1
1 869 . 10 1 1 A 80 80 ASP HA H 80 4.706 4.602 0.104 1
1 872 . 10 1 1 A 80 80 ASP CA C 80 53.784 54.601 -0.817 1
1 873 . 10 1 1 A 80 80 ASP CB C 80 42.062 40.875 1.187 1
1 874 . 10 1 1 A 80 80 ASP N N 80 113.706 118.348 -4.642 1
1 875 . 10 1 1 A 81 81 ALA H H 81 8.552 8.828 -0.276 1
1 876 . 10 1 1 A 81 81 ALA HA H 81 4.567 4.762 -0.195 1
1 880 . 10 1 1 A 81 81 ALA CA C 81 53.345 53.109 0.236 1
1 881 . 10 1 1 A 81 81 ALA CB C 81 20.325 19.179 1.146 1
1 882 . 10 1 1 A 81 81 ALA N N 81 124.168 126.232 -2.064 1
1 883 . 10 1 1 A 82 82 LEU H H 82 8.734 9.518 -0.784 1
1 884 . 10 1 1 A 82 82 LEU HA H 82 4.338 4.455 -0.117 1
1 893 . 10 1 1 A 82 82 LEU CA C 82 55.320 55.396 -0.076 1
1 894 . 10 1 1 A 82 82 LEU CB C 82 41.616 42.422 -0.806 1
1 897 . 10 1 1 A 82 82 LEU N N 82 121.830 125.005 -3.175 1
1 898 . 10 1 1 A 83 83 VAL H H 83 7.136 7.599 -0.463 1
1 899 . 10 1 1 A 83 83 VAL HA H 83 4.489 4.977 -0.488 1
1 907 . 10 1 1 A 83 83 VAL CA C 83 58.552 58.578 -0.026 1
1 908 . 10 1 1 A 83 83 VAL CB C 83 35.418 35.991 -0.573 1
1 911 . 10 1 1 A 83 83 VAL N N 83 108.193 112.309 -4.116 1
1 912 . 10 1 1 A 84 84 ASN H H 84 9.073 8.987 0.086 1
1 913 . 10 1 1 A 84 84 ASN HA H 84 4.872 5.315 -0.443 1
1 918 . 10 1 1 A 84 84 ASN CA C 84 51.417 51.381 0.036 1
1 919 . 10 1 1 A 84 84 ASN CB C 84 42.127 42.899 -0.772 1
1 920 . 10 1 1 A 84 84 ASN N N 84 119.533 119.460 0.073 1
1 922 . 10 1 1 A 85 85 ILE H H 85 8.390 8.519 -0.129 1
1 923 . 10 1 1 A 85 85 ILE HA H 85 3.384 3.728 -0.344 1
1 933 . 10 1 1 A 85 85 ILE CA C 85 63.985 63.934 0.051 1
1 934 . 10 1 1 A 85 85 ILE CB C 85 37.368 37.236 0.132 1
1 938 . 10 1 1 A 85 85 ILE N N 85 119.414 122.421 -3.007 1
1 939 . 10 1 1 A 86 86 GLY H H 86 9.229 8.500 0.729 1
1 940 . 10 1 1 A 86 86 GLY HA2 H 86 4.392 4.056 0.336 1
1 941 . 10 1 1 A 86 86 GLY HA3 H 86 3.412 4.060 -0.648 1
1 942 . 10 1 1 A 86 86 GLY CA C 86 44.946 44.931 0.015 1
1 943 . 10 1 1 A 86 86 GLY N N 86 117.337 115.543 1.794 1
1 944 . 10 1 1 A 87 87 ASP H H 87 7.956 8.404 -0.448 1
1 945 . 10 1 1 A 87 87 ASP HA H 87 4.599 4.674 -0.075 1
1 948 . 10 1 1 A 87 87 ASP CA C 87 55.055 54.921 0.134 1
1 949 . 10 1 1 A 87 87 ASP CB C 87 40.978 41.297 -0.319 1
1 950 . 10 1 1 A 87 87 ASP N N 87 121.511 121.988 -0.477 1
1 951 . 10 1 1 A 88 88 TYR H H 88 8.545 8.834 -0.289 1
1 952 . 10 1 1 A 88 88 TYR HA H 88 4.718 4.722 -0.004 1
1 959 . 10 1 1 A 88 88 TYR CA C 88 57.954 57.355 0.599 1
1 960 . 10 1 1 A 88 88 TYR CB C 88 39.411 38.462 0.949 1
1 961 . 10 1 1 A 88 88 TYR N N 88 122.327 125.811 -3.484 1
1 962 . 10 1 1 A 89 89 VAL H H 89 8.937 8.265 0.672 1
1 963 . 10 1 1 A 89 89 VAL HA H 89 4.565 5.036 -0.471 1
1 971 . 10 1 1 A 89 89 VAL CA C 89 58.580 59.520 -0.940 1
1 972 . 10 1 1 A 89 89 VAL CB C 89 34.504 33.874 0.630 1
1 975 . 10 1 1 A 89 89 VAL N N 89 121.838 123.034 -1.196 1
1 976 . 10 1 1 A 90 90 SER H H 90 8.761 8.544 0.217 1
1 977 . 10 1 1 A 90 90 SER HA H 90 4.562 5.137 -0.575 1
1 980 . 10 1 1 A 90 90 SER CA C 90 56.974 56.132 0.842 1
1 981 . 10 1 1 A 90 90 SER CB C 90 65.027 65.681 -0.654 1
1 982 . 10 1 1 A 90 90 SER N N 90 114.806 116.801 -1.995 1
1 983 . 10 1 1 A 91 91 ALA H H 91 8.692 8.930 -0.238 1
1 984 . 10 1 1 A 91 91 ALA HA H 91 3.505 4.046 -0.541 1
1 988 . 10 1 1 A 91 91 ALA CA C 91 53.471 54.880 -1.409 1
1 989 . 10 1 1 A 91 91 ALA CB C 91 18.719 18.398 0.321 1
1 990 . 10 1 1 A 91 91 ALA N N 91 129.873 128.674 1.199 1
1 991 . 10 1 1 A 92 92 SER H H 92 9.156 7.912 1.244 1
1 992 . 10 1 1 A 92 92 SER HA H 92 3.804 4.649 -0.845 1
1 995 . 10 1 1 A 92 92 SER CA C 92 60.827 57.244 3.583 1
1 996 . 10 1 1 A 92 92 SER CB C 92 62.630 64.587 -1.957 1
1 997 . 10 1 1 A 92 92 SER N N 92 113.297 108.318 4.979 1
1 998 . 10 1 1 A 93 93 THR H H 93 7.806 7.375 0.431 1
1 999 . 10 1 1 A 93 93 THR HA H 93 4.387 4.399 -0.012 1
1 1004 . 10 1 1 A 93 93 THR CA C 93 64.607 63.272 1.335 1
1 1005 . 10 1 1 A 93 93 THR CB C 93 71.127 69.937 1.190 1
1 1007 . 10 1 1 A 93 93 THR N N 93 113.896 114.942 -1.046 1
1 1008 . 10 1 1 A 94 94 THR H H 94 7.691 7.639 0.052 1
1 1009 . 10 1 1 A 94 94 THR HA H 94 3.899 4.489 -0.590 1
1 1014 . 10 1 1 A 94 94 THR CA C 94 65.258 62.407 2.851 1
1 1015 . 10 1 1 A 94 94 THR CB C 94 70.283 71.281 -0.998 1
1 1017 . 10 1 1 A 94 94 THR N N 94 119.603 111.319 8.284 1
1 1018 . 10 1 1 A 95 95 GLU H H 95 8.389 7.983 0.406 1
1 1019 . 10 1 1 A 95 95 GLU HA H 95 3.793 4.161 -0.368 1
1 1024 . 10 1 1 A 95 95 GLU CA C 95 56.783 57.534 -0.751 1
1 1025 . 10 1 1 A 95 95 GLU CB C 95 29.777 28.464 1.313 1
1 1027 . 10 1 1 A 95 95 GLU N N 95 124.816 117.928 6.888 1
1 1028 . 10 1 1 A 96 96 LEU H H 96 8.735 8.276 0.459 1
1 1029 . 10 1 1 A 96 96 LEU HA H 96 4.249 4.246 0.003 1
1 1039 . 10 1 1 A 96 96 LEU CA C 96 57.071 55.730 1.341 1
1 1040 . 10 1 1 A 96 96 LEU CB C 96 43.517 42.311 1.206 1
1 1044 . 10 1 1 A 96 96 LEU N N 96 120.104 125.539 -5.435 1
1 1045 . 10 1 1 A 97 97 VAL H H 97 7.049 7.301 -0.252 1
1 1046 . 10 1 1 A 97 97 VAL HA H 97 4.334 4.355 -0.021 1
1 1054 . 10 1 1 A 97 97 VAL CA C 97 61.411 60.993 0.418 1
1 1055 . 10 1 1 A 97 97 VAL CB C 97 31.724 34.370 -2.646 1
1 1058 . 10 1 1 A 97 97 VAL N N 97 112.399 114.298 -1.899 1
1 1059 . 10 1 1 A 98 98 ARG H H 98 8.968 8.657 0.311 1
1 1060 . 10 1 1 A 98 98 ARG HA H 98 5.255 5.282 -0.027 1
1 1067 . 10 1 1 A 98 98 ARG CA C 98 55.391 55.045 0.346 1
1 1068 . 10 1 1 A 98 98 ARG CB C 98 32.925 32.194 0.731 1
1 1071 . 10 1 1 A 98 98 ARG N N 98 127.489 122.724 4.765 1
1 1072 . 10 1 1 A 99 99 VAL H H 99 8.884 8.821 0.063 1
1 1073 . 10 1 1 A 99 99 VAL HA H 99 4.554 4.897 -0.343 1
1 1078 . 10 1 1 A 99 99 VAL CA C 99 60.996 61.102 -0.106 1
1 1079 . 10 1 1 A 99 99 VAL CB C 99 34.358 34.421 -0.063 1
1 1081 . 10 1 1 A 99 99 VAL N N 99 122.863 122.037 0.826 1
1 1082 . 10 1 1 A 100 100 THR H H 100 8.823 9.277 -0.454 1
1 1083 . 10 1 1 A 100 100 THR HA H 100 4.552 5.174 -0.622 1
1 1088 . 10 1 1 A 100 100 THR CA C 100 61.105 60.610 0.495 1
1 1089 . 10 1 1 A 100 100 THR CB C 100 70.859 71.820 -0.961 1
1 1091 . 10 1 1 A 100 100 THR N N 100 121.813 122.399 -0.586 1
1 1092 . 10 1 1 A 101 101 ASN H H 101 8.146 9.004 -0.858 1
1 1093 . 10 1 1 A 101 101 ASN HA H 101 4.505 5.110 -0.605 1
1 1098 . 10 1 1 A 101 101 ASN CA C 101 54.283 53.310 0.973 1
1 1099 . 10 1 1 A 101 101 ASN CB C 101 38.631 39.419 -0.788 1
1 1100 . 10 1 1 A 101 101 ASN N N 101 122.582 128.944 -6.362 1
1 1102 . 10 1 1 A 102 102 LEU H H 102 8.154 8.628 -0.474 1
1 1103 . 10 1 1 A 102 102 LEU HA H 102 4.236 4.578 -0.342 1
1 1113 . 10 1 1 A 102 102 LEU CA C 102 55.618 54.428 1.190 1
1 1114 . 10 1 1 A 102 102 LEU CB C 102 42.842 42.503 0.339 1
1 1118 . 10 1 1 A 102 102 LEU N N 102 122.572 125.571 -2.999 1
1 1119 . 10 1 1 A 103 103 ASN H H 103 8.393 8.562 -0.169 1
1 1120 . 10 1 1 A 103 103 ASN HA H 103 4.862 4.800 0.062 1
1 1125 . 10 1 1 A 103 103 ASN CA C 103 51.431 51.971 -0.540 1
1 1126 . 10 1 1 A 103 103 ASN CB C 103 39.172 37.646 1.526 1
1 1127 . 10 1 1 A 103 103 ASN N N 103 120.155 118.955 1.200 1
1 1129 . 10 1 1 A 104 104 PRO HA H 104 4.224 4.546 -0.322 1
1 1136 . 10 1 1 A 104 104 PRO CA C 104 63.636 63.818 -0.182 1
1 1137 . 10 1 1 A 104 104 PRO CB C 104 32.301 32.733 -0.432 1
1 1140 . 10 1 1 A 105 105 ILE H H 105 7.870 7.937 -0.067 1
1 1141 . 10 1 1 A 105 105 ILE HA H 105 3.934 3.825 0.109 1
1 1151 . 10 1 1 A 105 105 ILE CA C 105 61.566 62.863 -1.297 1
1 1152 . 10 1 1 A 105 105 ILE CB C 105 38.723 37.063 1.660 1
1 1156 . 10 1 1 A 105 105 ILE N N 105 119.425 117.302 2.123 1
1 1157 . 10 1 1 A 106 106 TYR H H 106 7.945 7.459 0.486 1
1 1158 . 10 1 1 A 106 106 TYR HA H 106 4.529 4.678 -0.149 1
1 1165 . 10 1 1 A 106 106 TYR CA C 106 57.548 56.278 1.270 1
1 1166 . 10 1 1 A 106 106 TYR CB C 106 39.048 37.126 1.922 1
1 1167 . 10 1 1 A 106 106 TYR N N 106 123.138 120.577 2.561 1
1 1168 . 10 1 1 A 107 107 ALA H H 107 8.113 7.858 0.255 1
1 1169 . 10 1 1 A 107 107 ALA HA H 107 4.213 4.054 0.159 1
1 1173 . 10 1 1 A 107 107 ALA CA C 107 52.847 53.065 -0.218 1
1 1174 . 10 1 1 A 107 107 ALA CB C 107 19.450 17.103 2.347 1
1 1175 . 10 1 1 A 107 107 ALA N N 107 125.476 119.851 5.625 1
1 1176 . 10 1 1 A 108 108 ASP H H 108 8.140 7.845 0.295 1
1 1177 . 10 1 1 A 108 108 ASP HA H 108 4.502 4.958 -0.456 1
1 1180 . 10 1 1 A 108 108 ASP CA C 108 54.515 54.906 -0.391 1
1 1181 . 10 1 1 A 108 108 ASP CB C 108 41.436 43.823 -2.387 1
1 1182 . 10 1 1 A 108 108 ASP N N 108 119.275 116.703 2.572 1
1 1183 . 10 1 1 A 109 109 GLY H H 109 8.304 7.375 0.929 1
1 1184 . 10 1 1 A 109 109 GLY HA2 H 109 3.930 3.968 -0.038 1
1 1185 . 10 1 1 A 109 109 GLY HA3 H 109 3.844 4.009 -0.165 1
1 1186 . 10 1 1 A 109 109 GLY CA C 109 45.809 45.518 0.291 1
1 1187 . 10 1 1 A 109 109 GLY N N 109 109.463 106.527 2.936 1
1 1188 . 10 1 1 A 110 110 SER H H 110 8.169 8.058 0.111 1
1 1189 . 10 1 1 A 110 110 SER HA H 110 4.263 3.973 0.290 1
1 1190 . 10 1 1 A 110 110 SER CA C 110 59.017 59.555 -0.538 1
1 1191 . 10 1 1 A 110 110 SER N N 110 115.630 114.030 1.600 1
1 1192 . 10 1 1 A 111 111 HIS HA H 111 4.522 5.008 -0.486 1
1 1195 . 10 1 1 A 111 111 HIS CA C 111 56.269 54.598 1.671 1
1 1196 . 10 1 1 A 111 111 HIS CB C 111 30.558 32.215 -1.657 1
1 1197 . 10 1 1 A 112 112 HIS HA H 112 4.341 4.290 0.051 1
1 1200 . 10 1 1 A 112 112 HIS CA C 112 57.660 56.747 0.913 1
1 2 . 11 1 1 A 2 2 VAL H H 2 8.608 8.135 0.473 1
1 3 . 11 1 1 A 2 2 VAL HA H 2 4.472 4.106 0.366 1
1 11 . 11 1 1 A 2 2 VAL CA C 2 61.161 62.566 -1.405 1
1 12 . 11 1 1 A 2 2 VAL CB C 2 35.825 32.462 3.363 1
1 15 . 11 1 1 A 2 2 VAL N N 2 117.995 117.616 0.379 1
1 16 . 11 1 1 A 3 3 ILE H H 3 8.424 8.838 -0.414 1
1 17 . 11 1 1 A 3 3 ILE HA H 3 4.489 4.575 -0.086 1
1 27 . 11 1 1 A 3 3 ILE CA C 3 60.273 60.471 -0.198 1
1 28 . 11 1 1 A 3 3 ILE CB C 3 38.595 38.796 -0.201 1
1 32 . 11 1 1 A 3 3 ILE N N 3 125.647 126.584 -0.937 1
1 33 . 11 1 1 A 4 4 ILE H H 4 8.531 8.845 -0.314 1
1 34 . 11 1 1 A 4 4 ILE HA H 4 3.990 4.120 -0.130 1
1 44 . 11 1 1 A 4 4 ILE CA C 4 61.656 61.887 -0.231 1
1 45 . 11 1 1 A 4 4 ILE CB C 4 38.183 38.633 -0.450 1
1 49 . 11 1 1 A 4 4 ILE N N 4 127.472 130.365 -2.893 1
1 50 . 11 1 1 A 5 5 LYS H H 5 8.277 8.775 -0.498 1
1 51 . 11 1 1 A 5 5 LYS HA H 5 5.164 4.717 0.447 1
1 60 . 11 1 1 A 5 5 LYS CA C 5 53.440 52.922 0.518 1
1 61 . 11 1 1 A 5 5 LYS CB C 5 33.808 35.371 -1.563 1
1 65 . 11 1 1 A 5 5 LYS N N 5 126.697 126.294 0.403 1
1 66 . 11 1 1 A 6 6 PRO HA H 6 4.370 4.699 -0.329 1
1 73 . 11 1 1 A 6 6 PRO CA C 6 62.493 62.149 0.344 1
1 74 . 11 1 1 A 6 6 PRO CB C 6 32.091 32.627 -0.536 1
1 77 . 11 1 1 A 7 7 GLN H H 7 9.334 8.334 1.000 1
1 78 . 11 1 1 A 7 7 GLN HA H 7 4.348 4.166 0.182 1
1 85 . 11 1 1 A 7 7 GLN CA C 7 56.384 56.648 -0.264 1
1 86 . 11 1 1 A 7 7 GLN CB C 7 28.934 28.583 0.351 1
1 88 . 11 1 1 A 7 7 GLN N N 7 119.944 118.549 1.395 1
1 90 . 11 1 1 A 8 8 VAL H H 8 7.021 7.345 -0.324 1
1 91 . 11 1 1 A 8 8 VAL HA H 8 4.476 4.920 -0.444 1
1 99 . 11 1 1 A 8 8 VAL CA C 8 58.999 58.960 0.039 1
1 100 . 11 1 1 A 8 8 VAL CB C 8 35.347 35.694 -0.347 1
1 103 . 11 1 1 A 8 8 VAL N N 8 111.118 115.018 -3.900 1
1 104 . 11 1 1 A 9 9 SER H H 9 8.155 8.637 -0.482 1
1 105 . 11 1 1 A 9 9 SER HA H 9 4.945 4.988 -0.043 1
1 108 . 11 1 1 A 9 9 SER CA C 9 56.704 56.894 -0.190 1
1 109 . 11 1 1 A 9 9 SER CB C 9 64.645 65.318 -0.673 1
1 110 . 11 1 1 A 9 9 SER N N 9 114.983 116.002 -1.019 1
1 111 . 11 1 1 A 10 10 GLY H H 10 7.981 8.315 -0.334 1
1 112 . 11 1 1 A 10 10 GLY HA2 H 10 4.416 4.065 0.351 1
1 113 . 11 1 1 A 10 10 GLY HA3 H 10 3.643 4.110 -0.467 1
1 114 . 11 1 1 A 10 10 GLY CA C 10 45.433 44.796 0.637 1
1 115 . 11 1 1 A 10 10 GLY N N 10 108.602 107.260 1.342 1
1 116 . 11 1 1 A 11 11 VAL H H 11 8.018 7.957 0.061 1
1 117 . 11 1 1 A 11 11 VAL HA H 11 4.740 4.731 0.009 1
1 125 . 11 1 1 A 11 11 VAL CA C 11 60.580 60.546 0.034 1
1 126 . 11 1 1 A 11 11 VAL CB C 11 35.124 35.707 -0.583 1
1 129 . 11 1 1 A 11 11 VAL N N 11 118.346 120.191 -1.845 1
1 130 . 11 1 1 A 12 12 ILE H H 12 8.452 8.543 -0.091 1
1 131 . 11 1 1 A 12 12 ILE HA H 12 4.042 4.195 -0.153 1
1 141 . 11 1 1 A 12 12 ILE CA C 12 60.400 62.279 -1.879 1
1 142 . 11 1 1 A 12 12 ILE CB C 12 35.725 38.152 -2.427 1
1 146 . 11 1 1 A 12 12 ILE N N 12 125.267 125.703 -0.436 1
1 147 . 11 1 1 A 13 13 VAL H H 13 8.900 9.257 -0.357 1
1 148 . 11 1 1 A 13 13 VAL HA H 13 4.492 4.324 0.168 1
1 156 . 11 1 1 A 13 13 VAL CA C 13 62.168 63.334 -1.166 1
1 157 . 11 1 1 A 13 13 VAL CB C 13 33.406 33.882 -0.476 1
1 160 . 11 1 1 A 13 13 VAL N N 13 124.539 125.403 -0.864 1
1 161 . 11 1 1 A 14 14 ASN H H 14 7.649 7.420 0.229 1
1 162 . 11 1 1 A 14 14 ASN HA H 14 4.805 5.153 -0.348 1
1 167 . 11 1 1 A 14 14 ASN CA C 14 52.950 52.377 0.573 1
1 168 . 11 1 1 A 14 14 ASN CB C 14 42.149 41.913 0.236 1
1 169 . 11 1 1 A 14 14 ASN N N 14 115.008 116.818 -1.810 1
1 171 . 11 1 1 A 15 15 LYS H H 15 8.393 8.545 -0.152 1
1 172 . 11 1 1 A 15 15 LYS HA H 15 4.640 4.712 -0.072 1
1 179 . 11 1 1 A 15 15 LYS CA C 15 55.987 54.891 1.096 1
1 180 . 11 1 1 A 15 15 LYS CB C 15 35.412 33.289 2.123 1
1 183 . 11 1 1 A 15 15 LYS N N 15 123.820 121.649 2.171 1
1 184 . 11 1 1 A 16 16 LEU H H 16 8.015 8.314 -0.299 1
1 185 . 11 1 1 A 16 16 LEU HA H 16 4.983 3.887 1.096 1
1 195 . 11 1 1 A 16 16 LEU CA C 16 55.202 57.806 -2.604 1
1 196 . 11 1 1 A 16 16 LEU CB C 16 41.471 42.101 -0.630 1
1 200 . 11 1 1 A 16 16 LEU N N 16 126.200 126.368 -0.168 1
1 201 . 11 1 1 A 17 17 PHE H H 17 6.522 7.274 -0.752 1
1 202 . 11 1 1 A 17 17 PHE HA H 17 4.858 4.473 0.385 1
1 210 . 11 1 1 A 17 17 PHE CA C 17 55.675 56.822 -1.147 1
1 211 . 11 1 1 A 17 17 PHE CB C 17 41.329 40.414 0.915 1
1 212 . 11 1 1 A 17 17 PHE N N 17 113.650 116.366 -2.716 1
1 213 . 11 1 1 A 18 18 LYS H H 18 8.648 8.807 -0.159 1
1 214 . 11 1 1 A 18 18 LYS HA H 18 4.325 4.366 -0.041 1
1 223 . 11 1 1 A 18 18 LYS CA C 18 54.442 53.792 0.650 1
1 224 . 11 1 1 A 18 18 LYS CB C 18 35.233 35.846 -0.613 1
1 228 . 11 1 1 A 18 18 LYS N N 18 120.586 118.030 2.556 1
1 229 . 11 1 1 A 19 19 ALA H H 19 8.396 8.350 0.046 1
1 230 . 11 1 1 A 19 19 ALA HA H 19 3.956 4.202 -0.246 1
1 234 . 11 1 1 A 19 19 ALA CA C 19 54.151 53.938 0.213 1
1 235 . 11 1 1 A 19 19 ALA CB C 19 18.681 18.440 0.241 1
1 236 . 11 1 1 A 19 19 ALA N N 19 123.901 126.611 -2.710 1
1 237 . 11 1 1 A 20 20 GLY H H 20 8.806 8.662 0.144 1
1 238 . 11 1 1 A 20 20 GLY HA2 H 20 4.299 3.984 0.315 1
1 239 . 11 1 1 A 20 20 GLY HA3 H 20 3.523 4.006 -0.483 1
1 240 . 11 1 1 A 20 20 GLY CA C 20 45.190 45.131 0.059 1
1 241 . 11 1 1 A 20 20 GLY N N 20 112.460 112.013 0.447 1
1 242 . 11 1 1 A 21 21 ASP H H 21 7.923 8.128 -0.205 1
1 243 . 11 1 1 A 21 21 ASP HA H 21 4.489 4.809 -0.320 1
1 246 . 11 1 1 A 21 21 ASP CA C 21 55.477 52.678 2.799 1
1 247 . 11 1 1 A 21 21 ASP CB C 21 41.593 42.397 -0.804 1
1 248 . 11 1 1 A 21 21 ASP N N 21 121.531 121.889 -0.358 1
1 249 . 11 1 1 A 22 22 LYS H H 22 8.292 8.353 -0.061 1
1 250 . 11 1 1 A 22 22 LYS HA H 22 4.861 5.194 -0.333 1
1 259 . 11 1 1 A 22 22 LYS CA C 22 55.789 54.689 1.100 1
1 260 . 11 1 1 A 22 22 LYS CB C 22 31.948 36.442 -4.494 1
1 264 . 11 1 1 A 22 22 LYS N N 22 120.223 119.602 0.621 1
1 265 . 11 1 1 A 23 23 VAL H H 23 8.929 9.027 -0.098 1
1 266 . 11 1 1 A 23 23 VAL HA H 23 4.828 4.802 0.026 1
1 274 . 11 1 1 A 23 23 VAL CA C 23 58.619 59.273 -0.654 1
1 275 . 11 1 1 A 23 23 VAL CB C 23 34.776 35.632 -0.856 1
1 278 . 11 1 1 A 23 23 VAL N N 23 117.770 118.476 -0.706 1
1 279 . 11 1 1 A 24 24 LYS H H 24 7.952 8.299 -0.347 1
1 280 . 11 1 1 A 24 24 LYS HA H 24 4.828 4.396 0.432 1
1 289 . 11 1 1 A 24 24 LYS CA C 24 53.316 55.697 -2.381 1
1 290 . 11 1 1 A 24 24 LYS CB C 24 35.370 33.484 1.886 1
1 294 . 11 1 1 A 24 24 LYS N N 24 121.890 124.924 -3.034 1
1 295 . 11 1 1 A 25 25 LYS H H 25 8.903 8.655 0.248 1
1 296 . 11 1 1 A 25 25 LYS HA H 25 3.152 4.138 -0.986 1
1 304 . 11 1 1 A 25 25 LYS CA C 25 58.780 56.983 1.797 1
1 305 . 11 1 1 A 25 25 LYS CB C 25 32.788 31.467 1.321 1
1 309 . 11 1 1 A 25 25 LYS N N 25 121.717 125.446 -3.729 1
1 310 . 11 1 1 A 26 26 GLY H H 26 8.887 8.697 0.190 1
1 311 . 11 1 1 A 26 26 GLY HA2 H 26 4.277 4.022 0.255 1
1 312 . 11 1 1 A 26 26 GLY HA3 H 26 3.462 4.044 -0.582 1
1 313 . 11 1 1 A 26 26 GLY CA C 26 45.387 44.936 0.451 1
1 314 . 11 1 1 A 26 26 GLY N N 26 115.271 108.297 6.974 1
1 315 . 11 1 1 A 27 27 GLN H H 27 8.423 8.036 0.387 1
1 316 . 11 1 1 A 27 27 GLN HA H 27 4.134 4.340 -0.206 1
1 323 . 11 1 1 A 27 27 GLN CA C 27 56.461 56.197 0.264 1
1 324 . 11 1 1 A 27 27 GLN CB C 27 30.655 28.981 1.674 1
1 326 . 11 1 1 A 27 27 GLN N N 27 123.160 120.125 3.035 1
1 328 . 11 1 1 A 28 28 THR H H 28 9.094 8.832 0.262 1
1 329 . 11 1 1 A 28 28 THR HA H 28 3.884 4.194 -0.310 1
1 334 . 11 1 1 A 28 28 THR CA C 28 66.017 64.225 1.792 1
1 335 . 11 1 1 A 28 28 THR CB C 28 68.577 69.101 -0.524 1
1 337 . 11 1 1 A 28 28 THR N N 28 124.723 118.588 6.135 1
1 338 . 11 1 1 A 29 29 LEU H H 29 9.499 9.435 0.064 1
1 339 . 11 1 1 A 29 29 LEU HA H 29 4.373 4.427 -0.054 1
1 349 . 11 1 1 A 29 29 LEU CA C 29 55.960 55.769 0.191 1
1 350 . 11 1 1 A 29 29 LEU CB C 29 44.601 43.226 1.375 1
1 354 . 11 1 1 A 29 29 LEU N N 29 125.894 127.180 -1.286 1
1 355 . 11 1 1 A 30 30 PHE H H 30 7.572 7.640 -0.068 1
1 356 . 11 1 1 A 30 30 PHE HA H 30 5.360 5.394 -0.034 1
1 364 . 11 1 1 A 30 30 PHE CA C 30 55.655 56.145 -0.490 1
1 365 . 11 1 1 A 30 30 PHE CB C 30 45.053 43.254 1.799 1
1 366 . 11 1 1 A 30 30 PHE N N 30 111.166 114.731 -3.565 1
1 367 . 11 1 1 A 31 31 ILE H H 31 7.850 8.383 -0.533 1
1 368 . 11 1 1 A 31 31 ILE HA H 31 4.808 4.930 -0.122 1
1 378 . 11 1 1 A 31 31 ILE CA C 31 60.159 59.126 1.033 1
1 379 . 11 1 1 A 31 31 ILE CB C 31 39.584 41.723 -2.139 1
1 383 . 11 1 1 A 31 31 ILE N N 31 119.419 119.739 -0.320 1
1 384 . 11 1 1 A 32 32 ILE H H 32 9.095 9.119 -0.024 1
1 385 . 11 1 1 A 32 32 ILE HA H 32 4.830 5.240 -0.410 1
1 395 . 11 1 1 A 32 32 ILE CA C 32 59.205 59.716 -0.511 1
1 396 . 11 1 1 A 32 32 ILE CB C 32 42.206 41.619 0.587 1
1 400 . 11 1 1 A 32 32 ILE N N 32 127.930 126.344 1.586 1
1 401 . 11 1 1 A 33 33 GLU H H 33 9.089 9.066 0.023 1
1 402 . 11 1 1 A 33 33 GLU HA H 33 4.674 4.997 -0.323 1
1 407 . 11 1 1 A 33 33 GLU CA C 33 55.047 54.798 0.249 1
1 408 . 11 1 1 A 33 33 GLU CB C 33 31.851 31.555 0.296 1
1 410 . 11 1 1 A 33 33 GLU N N 33 128.159 125.140 3.019 1
1 411 . 11 1 1 A 34 34 GLN H H 34 8.705 8.968 -0.263 1
1 412 . 11 1 1 A 34 34 GLN HA H 34 4.362 4.094 0.268 1
1 419 . 11 1 1 A 34 34 GLN CA C 34 56.933 56.408 0.525 1
1 420 . 11 1 1 A 34 34 GLN CB C 34 30.273 28.936 1.337 1
1 422 . 11 1 1 A 34 34 GLN N N 34 128.144 125.922 2.222 1
1 424 . 11 1 1 A 35 35 ASP H H 35 8.488 8.306 0.182 1
1 425 . 11 1 1 A 35 35 ASP HA H 35 4.608 4.389 0.219 1
1 428 . 11 1 1 A 35 35 ASP CA C 35 54.124 55.774 -1.650 1
1 429 . 11 1 1 A 35 35 ASP CB C 35 41.702 40.708 0.994 1
1 430 . 11 1 1 A 35 35 ASP N N 35 122.441 118.721 3.720 1
1 431 . 11 1 1 A 36 36 GLN H H 36 8.604 8.140 0.464 1
1 432 . 11 1 1 A 36 36 GLN HA H 36 4.021 4.645 -0.624 1
1 439 . 11 1 1 A 36 36 GLN CA C 36 57.273 54.965 2.308 1
1 440 . 11 1 1 A 36 36 GLN CB C 36 29.266 29.306 -0.040 1
1 442 . 11 1 1 A 36 36 GLN N N 36 123.042 113.891 9.151 1
1 444 . 11 1 1 A 37 37 ALA H H 37 8.313 8.236 0.077 1
1 445 . 11 1 1 A 37 37 ALA HA H 37 4.212 4.125 0.087 1
1 449 . 11 1 1 A 37 37 ALA CA C 37 53.708 55.081 -1.373 1
1 450 . 11 1 1 A 37 37 ALA CB C 37 18.949 18.391 0.558 1
1 451 . 11 1 1 A 37 37 ALA N N 37 122.748 124.755 -2.007 1
1 452 . 11 1 1 A 38 38 SER H H 38 7.949 7.743 0.206 1
1 453 . 11 1 1 A 38 38 SER HA H 38 4.285 4.550 -0.265 1
1 456 . 11 1 1 A 38 38 SER CA C 38 59.468 60.950 -1.482 1
1 457 . 11 1 1 A 38 38 SER CB C 38 63.874 63.772 0.102 1
1 458 . 11 1 1 A 38 38 SER N N 38 113.828 113.218 0.610 1
1 459 . 11 1 1 A 39 39 LYS H H 39 8.107 8.153 -0.046 1
1 460 . 11 1 1 A 39 39 LYS HA H 39 4.124 4.154 -0.030 1
1 469 . 11 1 1 A 39 39 LYS CA C 39 57.821 58.562 -0.741 1
1 470 . 11 1 1 A 39 39 LYS CB C 39 32.978 32.087 0.891 1
1 474 . 11 1 1 A 39 39 LYS N N 39 122.900 122.039 0.861 1
1 475 . 11 1 1 A 40 40 ASP H H 40 8.173 7.602 0.571 1
1 476 . 11 1 1 A 40 40 ASP HA H 40 4.477 4.646 -0.169 1
1 479 . 11 1 1 A 40 40 ASP CA C 40 55.164 56.495 -1.331 1
1 480 . 11 1 1 A 40 40 ASP CB C 40 41.359 41.355 0.004 1
1 481 . 11 1 1 A 40 40 ASP N N 40 119.696 119.169 0.527 1
1 482 . 11 1 1 A 41 41 PHE H H 41 8.022 8.355 -0.333 1
1 483 . 11 1 1 A 41 41 PHE HA H 41 4.376 4.035 0.341 1
1 488 . 11 1 1 A 41 41 PHE CA C 41 59.354 61.425 -2.071 1
1 489 . 11 1 1 A 41 41 PHE CB C 41 39.414 39.016 0.398 1
1 490 . 11 1 1 A 41 41 PHE N N 41 121.310 119.823 1.487 1
1 491 . 11 1 1 A 42 42 ASN H H 42 8.247 8.694 -0.447 1
1 492 . 11 1 1 A 42 42 ASN HA H 42 4.483 4.586 -0.103 1
1 497 . 11 1 1 A 42 42 ASN CA C 42 54.383 54.451 -0.068 1
1 498 . 11 1 1 A 42 42 ASN CB C 42 38.853 37.498 1.355 1
1 499 . 11 1 1 A 42 42 ASN N N 42 119.282 116.649 2.633 1
1 501 . 11 1 1 A 43 43 ARG H H 43 8.048 7.571 0.477 1
1 502 . 11 1 1 A 43 43 ARG HA H 43 4.130 4.001 0.129 1
1 509 . 11 1 1 A 43 43 ARG CA C 43 57.429 59.807 -2.378 1
1 510 . 11 1 1 A 43 43 ARG CB C 43 30.503 29.837 0.666 1
1 513 . 11 1 1 A 43 43 ARG N N 43 121.050 119.601 1.449 1
1 514 . 11 1 1 A 44 44 SER H H 44 8.111 8.059 0.052 1
1 515 . 11 1 1 A 44 44 SER HA H 44 4.262 4.336 -0.074 1
1 518 . 11 1 1 A 44 44 SER CA C 44 59.660 61.234 -1.574 1
1 519 . 11 1 1 A 44 44 SER CB C 44 63.810 63.473 0.337 1
1 520 . 11 1 1 A 44 44 SER N N 44 115.587 117.175 -1.588 1
1 521 . 11 1 1 A 45 45 LYS H H 45 7.968 7.465 0.503 1
1 522 . 11 1 1 A 45 45 LYS HA H 45 4.132 4.199 -0.067 1
1 526 . 11 1 1 A 45 45 LYS CA C 45 57.193 58.356 -1.163 1
1 527 . 11 1 1 A 45 45 LYS CB C 45 32.534 32.105 0.429 1
1 529 . 11 1 1 A 45 45 LYS N N 45 122.205 121.025 1.180 1
1 530 . 11 1 1 A 46 46 ALA H H 46 7.936 7.567 0.369 1
1 531 . 11 1 1 A 46 46 ALA HA H 46 4.179 4.234 -0.055 1
1 535 . 11 1 1 A 46 46 ALA CA C 46 53.196 53.538 -0.342 1
1 536 . 11 1 1 A 46 46 ALA CB C 46 19.279 18.791 0.488 1
1 537 . 11 1 1 A 46 46 ALA N N 46 123.430 120.807 2.623 1
1 538 . 11 1 1 A 47 47 LEU H H 47 7.873 6.987 0.886 1
1 539 . 11 1 1 A 47 47 LEU HA H 47 4.147 4.291 -0.144 1
1 549 . 11 1 1 A 47 47 LEU CA C 47 55.854 54.701 1.153 1
1 550 . 11 1 1 A 47 47 LEU CB C 47 42.536 42.599 -0.063 1
1 554 . 11 1 1 A 47 47 LEU N N 47 119.760 120.619 -0.859 1
1 555 . 11 1 1 A 48 48 PHE H H 48 7.960 8.904 -0.944 1
1 556 . 11 1 1 A 48 48 PHE HA H 48 4.540 4.125 0.415 1
1 561 . 11 1 1 A 48 48 PHE CA C 48 58.150 60.905 -2.755 1
1 562 . 11 1 1 A 48 48 PHE CB C 48 39.499 39.125 0.374 1
1 563 . 11 1 1 A 48 48 PHE N N 48 119.481 121.643 -2.162 1
1 564 . 11 1 1 A 49 49 SER H H 49 8.011 8.296 -0.285 1
1 565 . 11 1 1 A 49 49 SER HA H 49 4.333 4.399 -0.066 1
1 566 . 11 1 1 A 49 49 SER CA C 49 58.675 61.714 -3.039 1
1 567 . 11 1 1 A 49 49 SER N N 49 116.263 115.461 0.802 1
1 568 . 11 1 1 A 50 50 GLN H H 50 8.252 8.230 0.022 1
1 569 . 11 1 1 A 50 50 GLN HA H 50 4.250 4.167 0.083 1
1 576 . 11 1 1 A 50 50 GLN CA C 50 56.570 57.938 -1.368 1
1 577 . 11 1 1 A 50 50 GLN CB C 50 29.372 28.718 0.654 1
1 579 . 11 1 1 A 50 50 GLN N N 50 121.890 122.809 -0.919 1
1 581 . 11 1 1 A 51 51 SER H H 51 8.143 7.710 0.433 1
1 582 . 11 1 1 A 51 51 SER HA H 51 4.332 4.185 0.147 1
1 583 . 11 1 1 A 51 51 SER CA C 51 58.848 61.796 -2.948 1
1 584 . 11 1 1 A 51 51 SER N N 51 115.677 116.252 -0.575 1
1 585 . 11 1 1 A 52 52 ALA H H 52 8.168 7.365 0.803 1
1 586 . 11 1 1 A 52 52 ALA HA H 52 4.261 4.284 -0.023 1
1 590 . 11 1 1 A 52 52 ALA CA C 52 53.119 52.429 0.690 1
1 591 . 11 1 1 A 52 52 ALA CB C 52 19.175 19.523 -0.348 1
1 592 . 11 1 1 A 52 52 ALA N N 52 125.354 120.871 4.483 1
1 593 . 11 1 1 A 53 53 ILE H H 53 7.858 8.068 -0.210 1
1 594 . 11 1 1 A 53 53 ILE HA H 53 4.094 4.001 0.093 1
1 604 . 11 1 1 A 53 53 ILE CA C 53 61.666 61.910 -0.244 1
1 605 . 11 1 1 A 53 53 ILE CB C 53 39.015 37.098 1.917 1
1 609 . 11 1 1 A 53 53 ILE N N 53 118.218 117.223 0.995 1
1 610 . 11 1 1 A 54 54 SER H H 54 8.152 8.360 -0.208 1
1 611 . 11 1 1 A 54 54 SER HA H 54 4.348 4.449 -0.101 1
1 614 . 11 1 1 A 54 54 SER CA C 54 58.678 59.344 -0.666 1
1 615 . 11 1 1 A 54 54 SER CB C 54 64.002 63.970 0.032 1
1 616 . 11 1 1 A 54 54 SER N N 54 118.590 122.607 -4.017 1
1 617 . 11 1 1 A 55 55 GLN H H 55 8.298 8.791 -0.493 1
1 618 . 11 1 1 A 55 55 GLN HA H 55 4.198 3.960 0.238 1
1 625 . 11 1 1 A 55 55 GLN CA C 55 56.690 58.055 -1.365 1
1 626 . 11 1 1 A 55 55 GLN CB C 55 29.393 28.404 0.989 1
1 628 . 11 1 1 A 55 55 GLN N N 55 122.154 123.235 -1.081 1
1 630 . 11 1 1 A 56 56 LYS H H 56 8.153 7.872 0.281 1
1 631 . 11 1 1 A 56 56 LYS HA H 56 4.161 4.519 -0.358 1
1 636 . 11 1 1 A 56 56 LYS CA C 56 57.174 55.498 1.676 1
1 637 . 11 1 1 A 56 56 LYS CB C 56 32.991 33.426 -0.435 1
1 639 . 11 1 1 A 56 56 LYS N N 56 121.127 117.710 3.417 1
1 640 . 11 1 1 A 57 57 GLU H H 57 8.201 8.193 0.008 1
1 641 . 11 1 1 A 57 57 GLU HA H 57 4.151 4.483 -0.332 1
1 646 . 11 1 1 A 57 57 GLU CA C 57 57.273 57.705 -0.432 1
1 647 . 11 1 1 A 57 57 GLU CB C 57 30.262 31.196 -0.934 1
1 649 . 11 1 1 A 57 57 GLU N N 57 120.626 117.344 3.282 1
1 650 . 11 1 1 A 58 58 TYR H H 58 8.057 8.744 -0.687 1
1 651 . 11 1 1 A 58 58 TYR HA H 58 4.375 4.398 -0.023 1
1 658 . 11 1 1 A 58 58 TYR CA C 58 58.721 60.011 -1.290 1
1 659 . 11 1 1 A 58 58 TYR CB C 58 39.096 36.989 2.107 1
1 660 . 11 1 1 A 58 58 TYR N N 58 120.841 118.658 2.183 1
1 661 . 11 1 1 A 59 59 ASP H H 59 8.144 8.373 -0.229 1
1 662 . 11 1 1 A 59 59 ASP HA H 59 4.493 3.914 0.579 1
1 665 . 11 1 1 A 59 59 ASP CA C 59 54.505 55.514 -1.009 1
1 666 . 11 1 1 A 59 59 ASP CB C 59 41.233 38.887 2.346 1
1 667 . 11 1 1 A 59 59 ASP N N 59 122.549 121.062 1.487 1
1 668 . 11 1 1 A 60 60 SER H H 60 8.245 8.083 0.162 1
1 669 . 11 1 1 A 60 60 SER HA H 60 4.255 4.197 0.058 1
1 670 . 11 1 1 A 60 60 SER CA C 60 59.650 61.393 -1.743 1
1 671 . 11 1 1 A 60 60 SER N N 60 117.646 116.163 1.483 1
1 672 . 11 1 1 A 61 61 SER H H 61 8.329 7.851 0.478 1
1 673 . 11 1 1 A 61 61 SER HA H 61 4.307 4.354 -0.047 1
1 676 . 11 1 1 A 61 61 SER CA C 61 59.882 60.830 -0.948 1
1 677 . 11 1 1 A 61 61 SER CB C 61 63.888 63.349 0.539 1
1 678 . 11 1 1 A 61 61 SER N N 61 118.138 117.512 0.626 1
1 679 . 11 1 1 A 62 62 LEU H H 62 7.753 7.625 0.128 1
1 680 . 11 1 1 A 62 62 LEU HA H 62 4.227 4.331 -0.104 1
1 690 . 11 1 1 A 62 62 LEU CA C 62 55.640 55.523 0.117 1
1 691 . 11 1 1 A 62 62 LEU CB C 62 42.389 43.315 -0.926 1
1 695 . 11 1 1 A 62 62 LEU N N 62 122.616 118.209 4.407 1
1 696 . 11 1 1 A 63 63 ALA H H 63 7.908 7.730 0.178 1
1 697 . 11 1 1 A 63 63 ALA HA H 63 4.266 4.585 -0.319 1
1 701 . 11 1 1 A 63 63 ALA CA C 63 53.071 51.184 1.887 1
1 702 . 11 1 1 A 63 63 ALA CB C 63 19.373 23.095 -3.722 1
1 703 . 11 1 1 A 63 63 ALA N N 63 123.326 117.970 5.356 1
1 704 . 11 1 1 A 64 64 THR H H 64 7.855 8.423 -0.568 1
1 705 . 11 1 1 A 64 64 THR HA H 64 4.212 4.497 -0.285 1
1 710 . 11 1 1 A 64 64 THR CA C 64 61.955 61.075 0.880 1
1 711 . 11 1 1 A 64 64 THR CB C 64 69.997 69.537 0.460 1
1 713 . 11 1 1 A 64 64 THR N N 64 112.019 112.545 -0.526 1
1 714 . 11 1 1 A 65 65 LEU H H 65 7.970 8.156 -0.186 1
1 715 . 11 1 1 A 65 65 LEU HA H 65 4.290 4.208 0.082 1
1 725 . 11 1 1 A 65 65 LEU CA C 65 55.509 53.919 1.590 1
1 726 . 11 1 1 A 65 65 LEU CB C 65 42.619 39.865 2.754 1
1 730 . 11 1 1 A 65 65 LEU N N 65 123.564 123.259 0.305 1
1 731 . 11 1 1 A 66 66 ASP H H 66 8.271 8.280 -0.009 1
1 732 . 11 1 1 A 66 66 ASP HA H 66 4.538 4.159 0.379 1
1 735 . 11 1 1 A 66 66 ASP CA C 66 54.906 55.322 -0.416 1
1 736 . 11 1 1 A 66 66 ASP CB C 66 41.384 39.766 1.618 1
1 737 . 11 1 1 A 66 66 ASP N N 66 120.385 115.485 4.900 1
1 738 . 11 1 1 A 67 67 HIS H H 67 8.020 7.740 0.280 1
1 739 . 11 1 1 A 67 67 HIS HA H 67 5.236 5.072 0.164 1
1 744 . 11 1 1 A 67 67 HIS CA C 67 55.411 56.560 -1.149 1
1 745 . 11 1 1 A 67 67 HIS CB C 67 32.135 30.953 1.182 1
1 746 . 11 1 1 A 67 67 HIS N N 67 119.214 118.493 0.721 1
1 747 . 11 1 1 A 68 68 THR H H 68 8.903 8.880 0.023 1
1 748 . 11 1 1 A 68 68 THR HA H 68 4.474 4.771 -0.297 1
1 753 . 11 1 1 A 68 68 THR CA C 68 62.536 61.120 1.416 1
1 754 . 11 1 1 A 68 68 THR CB C 68 71.267 72.252 -0.985 1
1 756 . 11 1 1 A 68 68 THR N N 68 117.138 114.691 2.447 1
1 757 . 11 1 1 A 69 69 GLU H H 69 8.630 8.725 -0.095 1
1 758 . 11 1 1 A 69 69 GLU HA H 69 4.480 5.063 -0.583 1
1 763 . 11 1 1 A 69 69 GLU CA C 69 56.016 55.794 0.222 1
1 764 . 11 1 1 A 69 69 GLU CB C 69 31.824 32.010 -0.186 1
1 766 . 11 1 1 A 69 69 GLU N N 69 124.226 124.109 0.117 1
1 767 . 11 1 1 A 70 70 ILE H H 70 8.589 8.802 -0.213 1
1 768 . 11 1 1 A 70 70 ILE HA H 70 4.405 4.967 -0.562 1
1 778 . 11 1 1 A 70 70 ILE CA C 70 59.367 59.934 -0.567 1
1 779 . 11 1 1 A 70 70 ILE CB C 70 37.492 40.975 -3.483 1
1 783 . 11 1 1 A 70 70 ILE N N 70 123.526 120.932 2.594 1
1 784 . 11 1 1 A 71 71 LYS H H 71 8.910 8.590 0.320 1
1 785 . 11 1 1 A 71 71 LYS HA H 71 5.070 4.968 0.102 1
1 790 . 11 1 1 A 71 71 LYS CA C 71 54.732 54.330 0.402 1
1 791 . 11 1 1 A 71 71 LYS CB C 71 36.388 36.167 0.221 1
1 793 . 11 1 1 A 71 71 LYS N N 71 128.313 125.312 3.001 1
1 794 . 11 1 1 A 72 72 ALA H H 72 8.623 8.963 -0.340 1
1 795 . 11 1 1 A 72 72 ALA HA H 72 4.060 4.340 -0.280 1
1 799 . 11 1 1 A 72 72 ALA CA C 72 50.119 51.011 -0.892 1
1 800 . 11 1 1 A 72 72 ALA CB C 72 17.261 17.868 -0.607 1
1 801 . 11 1 1 A 72 72 ALA N N 72 123.091 125.094 -2.003 1
1 802 . 11 1 1 A 73 73 PRO HA H 73 4.328 4.457 -0.129 1
1 809 . 11 1 1 A 73 73 PRO CA C 73 63.731 64.440 -0.709 1
1 810 . 11 1 1 A 73 73 PRO CB C 73 32.196 31.970 0.226 1
1 813 . 11 1 1 A 74 74 PHE H H 74 6.758 6.839 -0.081 1
1 814 . 11 1 1 A 74 74 PHE HA H 74 4.414 4.905 -0.491 1
1 821 . 11 1 1 A 74 74 PHE CA C 74 54.539 56.105 -1.566 1
1 822 . 11 1 1 A 74 74 PHE CB C 74 40.862 40.559 0.303 1
1 823 . 11 1 1 A 74 74 PHE N N 74 112.045 113.247 -1.202 1
1 824 . 11 1 1 A 75 75 ASP H H 75 8.563 8.810 -0.247 1
1 825 . 11 1 1 A 75 75 ASP HA H 75 4.915 4.797 0.118 1
1 828 . 11 1 1 A 75 75 ASP CA C 75 54.108 55.149 -1.041 1
1 829 . 11 1 1 A 75 75 ASP CB C 75 41.011 40.817 0.194 1
1 830 . 11 1 1 A 75 75 ASP N N 75 118.284 119.884 -1.600 1
1 831 . 11 1 1 A 76 76 GLY H H 76 8.340 8.464 -0.124 1
1 832 . 11 1 1 A 76 76 GLY HA2 H 76 4.228 4.093 0.135 1
1 833 . 11 1 1 A 76 76 GLY HA3 H 76 4.070 4.240 -0.170 1
1 834 . 11 1 1 A 76 76 GLY CA C 76 46.761 45.599 1.162 1
1 835 . 11 1 1 A 76 76 GLY N N 76 108.739 107.483 1.256 1
1 836 . 11 1 1 A 77 77 THR H H 77 8.607 8.858 -0.251 1
1 837 . 11 1 1 A 77 77 THR HA H 77 4.966 5.109 -0.143 1
1 842 . 11 1 1 A 77 77 THR CA C 77 61.891 61.381 0.510 1
1 843 . 11 1 1 A 77 77 THR CB C 77 70.413 71.643 -1.230 1
1 845 . 11 1 1 A 77 77 THR N N 77 116.423 116.076 0.347 1
1 846 . 11 1 1 A 78 78 ILE H H 78 8.815 8.572 0.243 1
1 847 . 11 1 1 A 78 78 ILE HA H 78 4.656 4.853 -0.197 1
1 857 . 11 1 1 A 78 78 ILE CA C 78 60.214 59.588 0.626 1
1 858 . 11 1 1 A 78 78 ILE CB C 78 43.110 41.885 1.225 1
1 862 . 11 1 1 A 78 78 ILE N N 78 129.313 122.566 6.747 1
1 863 . 11 1 1 A 79 79 GLY H H 79 8.052 8.971 -0.919 1
1 864 . 11 1 1 A 79 79 GLY HA2 H 79 4.394 4.138 0.256 1
1 865 . 11 1 1 A 79 79 GLY HA3 H 79 3.765 4.142 -0.377 1
1 866 . 11 1 1 A 79 79 GLY CA C 79 44.297 44.294 0.003 1
1 867 . 11 1 1 A 79 79 GLY N N 79 114.522 116.454 -1.932 1
1 868 . 11 1 1 A 80 80 ASP H H 80 7.792 8.549 -0.757 1
1 869 . 11 1 1 A 80 80 ASP HA H 80 4.706 4.546 0.160 1
1 872 . 11 1 1 A 80 80 ASP CA C 80 53.784 54.634 -0.850 1
1 873 . 11 1 1 A 80 80 ASP CB C 80 42.062 40.925 1.137 1
1 874 . 11 1 1 A 80 80 ASP N N 80 113.706 118.506 -4.800 1
1 875 . 11 1 1 A 81 81 ALA H H 81 8.552 8.708 -0.156 1
1 876 . 11 1 1 A 81 81 ALA HA H 81 4.567 4.684 -0.117 1
1 880 . 11 1 1 A 81 81 ALA CA C 81 53.345 52.913 0.432 1
1 881 . 11 1 1 A 81 81 ALA CB C 81 20.325 19.353 0.972 1
1 882 . 11 1 1 A 81 81 ALA N N 81 124.168 126.332 -2.164 1
1 883 . 11 1 1 A 82 82 LEU H H 82 8.734 9.372 -0.638 1
1 884 . 11 1 1 A 82 82 LEU HA H 82 4.338 4.740 -0.402 1
1 893 . 11 1 1 A 82 82 LEU CA C 82 55.320 54.393 0.927 1
1 894 . 11 1 1 A 82 82 LEU CB C 82 41.616 43.652 -2.036 1
1 897 . 11 1 1 A 82 82 LEU N N 82 121.830 121.427 0.403 1
1 898 . 11 1 1 A 83 83 VAL H H 83 7.136 7.695 -0.559 1
1 899 . 11 1 1 A 83 83 VAL HA H 83 4.489 4.895 -0.406 1
1 907 . 11 1 1 A 83 83 VAL CA C 83 58.552 58.788 -0.236 1
1 908 . 11 1 1 A 83 83 VAL CB C 83 35.418 36.068 -0.650 1
1 911 . 11 1 1 A 83 83 VAL N N 83 108.193 114.242 -6.049 1
1 912 . 11 1 1 A 84 84 ASN H H 84 9.073 8.911 0.162 1
1 913 . 11 1 1 A 84 84 ASN HA H 84 4.872 5.317 -0.445 1
1 918 . 11 1 1 A 84 84 ASN CA C 84 51.417 51.389 0.028 1
1 919 . 11 1 1 A 84 84 ASN CB C 84 42.127 43.003 -0.876 1
1 920 . 11 1 1 A 84 84 ASN N N 84 119.533 119.479 0.054 1
1 922 . 11 1 1 A 85 85 ILE H H 85 8.390 8.522 -0.132 1
1 923 . 11 1 1 A 85 85 ILE HA H 85 3.384 3.692 -0.308 1
1 933 . 11 1 1 A 85 85 ILE CA C 85 63.985 63.934 0.051 1
1 934 . 11 1 1 A 85 85 ILE CB C 85 37.368 37.239 0.129 1
1 938 . 11 1 1 A 85 85 ILE N N 85 119.414 122.421 -3.007 1
1 939 . 11 1 1 A 86 86 GLY H H 86 9.229 8.487 0.742 1
1 940 . 11 1 1 A 86 86 GLY HA2 H 86 4.392 4.053 0.339 1
1 941 . 11 1 1 A 86 86 GLY HA3 H 86 3.412 4.055 -0.643 1
1 942 . 11 1 1 A 86 86 GLY CA C 86 44.946 44.962 -0.016 1
1 943 . 11 1 1 A 86 86 GLY N N 86 117.337 115.488 1.849 1
1 944 . 11 1 1 A 87 87 ASP H H 87 7.956 8.426 -0.470 1
1 945 . 11 1 1 A 87 87 ASP HA H 87 4.599 4.680 -0.081 1
1 948 . 11 1 1 A 87 87 ASP CA C 87 55.055 54.923 0.132 1
1 949 . 11 1 1 A 87 87 ASP CB C 87 40.978 41.248 -0.270 1
1 950 . 11 1 1 A 87 87 ASP N N 87 121.511 121.990 -0.479 1
1 951 . 11 1 1 A 88 88 TYR H H 88 8.545 8.839 -0.294 1
1 952 . 11 1 1 A 88 88 TYR HA H 88 4.718 4.688 0.030 1
1 959 . 11 1 1 A 88 88 TYR CA C 88 57.954 57.391 0.563 1
1 960 . 11 1 1 A 88 88 TYR CB C 88 39.411 38.473 0.938 1
1 961 . 11 1 1 A 88 88 TYR N N 88 122.327 125.779 -3.452 1
1 962 . 11 1 1 A 89 89 VAL H H 89 8.937 8.353 0.584 1
1 963 . 11 1 1 A 89 89 VAL HA H 89 4.565 4.853 -0.288 1
1 971 . 11 1 1 A 89 89 VAL CA C 89 58.580 59.532 -0.952 1
1 972 . 11 1 1 A 89 89 VAL CB C 89 34.504 33.918 0.586 1
1 975 . 11 1 1 A 89 89 VAL N N 89 121.838 123.028 -1.190 1
1 976 . 11 1 1 A 90 90 SER H H 90 8.761 8.585 0.176 1
1 977 . 11 1 1 A 90 90 SER HA H 90 4.562 5.148 -0.586 1
1 980 . 11 1 1 A 90 90 SER CA C 90 56.974 56.141 0.833 1
1 981 . 11 1 1 A 90 90 SER CB C 90 65.027 65.408 -0.381 1
1 982 . 11 1 1 A 90 90 SER N N 90 114.806 117.043 -2.237 1
1 983 . 11 1 1 A 91 91 ALA H H 91 8.692 8.979 -0.287 1
1 984 . 11 1 1 A 91 91 ALA HA H 91 3.505 4.069 -0.564 1
1 988 . 11 1 1 A 91 91 ALA CA C 91 53.471 54.890 -1.419 1
1 989 . 11 1 1 A 91 91 ALA CB C 91 18.719 18.405 0.314 1
1 990 . 11 1 1 A 91 91 ALA N N 91 129.873 129.582 0.291 1
1 991 . 11 1 1 A 92 92 SER H H 92 9.156 7.889 1.267 1
1 992 . 11 1 1 A 92 92 SER HA H 92 3.804 4.666 -0.862 1
1 995 . 11 1 1 A 92 92 SER CA C 92 60.827 57.252 3.575 1
1 996 . 11 1 1 A 92 92 SER CB C 92 62.630 64.572 -1.942 1
1 997 . 11 1 1 A 92 92 SER N N 92 113.297 108.597 4.700 1
1 998 . 11 1 1 A 93 93 THR H H 93 7.806 7.808 -0.002 1
1 999 . 11 1 1 A 93 93 THR HA H 93 4.387 4.383 0.004 1
1 1004 . 11 1 1 A 93 93 THR CA C 93 64.607 63.451 1.156 1
1 1005 . 11 1 1 A 93 93 THR CB C 93 71.127 70.072 1.055 1
1 1007 . 11 1 1 A 93 93 THR N N 93 113.896 114.441 -0.545 1
1 1008 . 11 1 1 A 94 94 THR H H 94 7.691 7.238 0.453 1
1 1009 . 11 1 1 A 94 94 THR HA H 94 3.899 4.910 -1.011 1
1 1014 . 11 1 1 A 94 94 THR CA C 94 65.258 61.597 3.661 1
1 1015 . 11 1 1 A 94 94 THR CB C 94 70.283 71.496 -1.213 1
1 1017 . 11 1 1 A 94 94 THR N N 94 119.603 115.284 4.319 1
1 1018 . 11 1 1 A 95 95 GLU H H 95 8.389 8.923 -0.534 1
1 1019 . 11 1 1 A 95 95 GLU HA H 95 3.793 4.621 -0.828 1
1 1024 . 11 1 1 A 95 95 GLU CA C 95 56.783 55.575 1.208 1
1 1025 . 11 1 1 A 95 95 GLU CB C 95 29.777 30.684 -0.907 1
1 1027 . 11 1 1 A 95 95 GLU N N 95 124.816 127.059 -2.243 1
1 1028 . 11 1 1 A 96 96 LEU H H 96 8.735 8.583 0.152 1
1 1029 . 11 1 1 A 96 96 LEU HA H 96 4.249 4.133 0.116 1
1 1039 . 11 1 1 A 96 96 LEU CA C 96 57.071 55.948 1.123 1
1 1040 . 11 1 1 A 96 96 LEU CB C 96 43.517 42.011 1.506 1
1 1044 . 11 1 1 A 96 96 LEU N N 96 120.104 126.695 -6.591 1
1 1045 . 11 1 1 A 97 97 VAL H H 97 7.049 7.321 -0.272 1
1 1046 . 11 1 1 A 97 97 VAL HA H 97 4.334 4.349 -0.015 1
1 1054 . 11 1 1 A 97 97 VAL CA C 97 61.411 60.877 0.534 1
1 1055 . 11 1 1 A 97 97 VAL CB C 97 31.724 34.234 -2.510 1
1 1058 . 11 1 1 A 97 97 VAL N N 97 112.399 114.151 -1.752 1
1 1059 . 11 1 1 A 98 98 ARG H H 98 8.968 8.549 0.419 1
1 1060 . 11 1 1 A 98 98 ARG HA H 98 5.255 5.265 -0.010 1
1 1067 . 11 1 1 A 98 98 ARG CA C 98 55.391 54.599 0.792 1
1 1068 . 11 1 1 A 98 98 ARG CB C 98 32.925 33.289 -0.364 1
1 1071 . 11 1 1 A 98 98 ARG N N 98 127.489 122.158 5.331 1
1 1072 . 11 1 1 A 99 99 VAL H H 99 8.884 8.673 0.211 1
1 1073 . 11 1 1 A 99 99 VAL HA H 99 4.554 4.787 -0.233 1
1 1078 . 11 1 1 A 99 99 VAL CA C 99 60.996 61.120 -0.124 1
1 1079 . 11 1 1 A 99 99 VAL CB C 99 34.358 34.115 0.243 1
1 1081 . 11 1 1 A 99 99 VAL N N 99 122.863 122.540 0.323 1
1 1082 . 11 1 1 A 100 100 THR H H 100 8.823 9.213 -0.390 1
1 1083 . 11 1 1 A 100 100 THR HA H 100 4.552 4.991 -0.439 1
1 1088 . 11 1 1 A 100 100 THR CA C 100 61.105 60.726 0.379 1
1 1089 . 11 1 1 A 100 100 THR CB C 100 70.859 71.791 -0.932 1
1 1091 . 11 1 1 A 100 100 THR N N 100 121.813 121.801 0.012 1
1 1092 . 11 1 1 A 101 101 ASN H H 101 8.146 9.062 -0.916 1
1 1093 . 11 1 1 A 101 101 ASN HA H 101 4.505 4.747 -0.242 1
1 1098 . 11 1 1 A 101 101 ASN CA C 101 54.283 53.556 0.727 1
1 1099 . 11 1 1 A 101 101 ASN CB C 101 38.631 40.015 -1.384 1
1 1100 . 11 1 1 A 101 101 ASN N N 101 122.582 127.673 -5.091 1
1 1102 . 11 1 1 A 102 102 LEU H H 102 8.154 8.820 -0.666 1
1 1103 . 11 1 1 A 102 102 LEU HA H 102 4.236 4.180 0.056 1
1 1113 . 11 1 1 A 102 102 LEU CA C 102 55.618 56.611 -0.993 1
1 1114 . 11 1 1 A 102 102 LEU CB C 102 42.842 41.976 0.866 1
1 1118 . 11 1 1 A 102 102 LEU N N 102 122.572 126.657 -4.085 1
1 1119 . 11 1 1 A 103 103 ASN H H 103 8.393 7.804 0.589 1
1 1120 . 11 1 1 A 103 103 ASN HA H 103 4.862 5.152 -0.290 1
1 1125 . 11 1 1 A 103 103 ASN CA C 103 51.431 49.828 1.603 1
1 1126 . 11 1 1 A 103 103 ASN CB C 103 39.172 40.968 -1.796 1
1 1127 . 11 1 1 A 103 103 ASN N N 103 120.155 115.328 4.827 1
1 1129 . 11 1 1 A 104 104 PRO HA H 104 4.224 4.506 -0.282 1
1 1136 . 11 1 1 A 104 104 PRO CA C 104 63.636 63.828 -0.192 1
1 1137 . 11 1 1 A 104 104 PRO CB C 104 32.301 31.817 0.484 1
1 1140 . 11 1 1 A 105 105 ILE H H 105 7.870 8.026 -0.156 1
1 1141 . 11 1 1 A 105 105 ILE HA H 105 3.934 4.534 -0.600 1
1 1151 . 11 1 1 A 105 105 ILE CA C 105 61.566 60.446 1.120 1
1 1152 . 11 1 1 A 105 105 ILE CB C 105 38.723 39.329 -0.606 1
1 1156 . 11 1 1 A 105 105 ILE N N 105 119.425 116.637 2.788 1
1 1157 . 11 1 1 A 106 106 TYR H H 106 7.945 7.574 0.371 1
1 1158 . 11 1 1 A 106 106 TYR HA H 106 4.529 4.628 -0.099 1
1 1165 . 11 1 1 A 106 106 TYR CA C 106 57.548 59.074 -1.526 1
1 1166 . 11 1 1 A 106 106 TYR CB C 106 39.048 38.919 0.129 1
1 1167 . 11 1 1 A 106 106 TYR N N 106 123.138 125.187 -2.049 1
1 1168 . 11 1 1 A 107 107 ALA H H 107 8.113 8.788 -0.675 1
1 1169 . 11 1 1 A 107 107 ALA HA H 107 4.213 4.908 -0.695 1
1 1173 . 11 1 1 A 107 107 ALA CA C 107 52.847 51.313 1.534 1
1 1174 . 11 1 1 A 107 107 ALA CB C 107 19.450 23.814 -4.364 1
1 1175 . 11 1 1 A 107 107 ALA N N 107 125.476 125.377 0.099 1
1 1176 . 11 1 1 A 108 108 ASP H H 108 8.140 8.691 -0.551 1
1 1177 . 11 1 1 A 108 108 ASP HA H 108 4.502 5.541 -1.039 1
1 1180 . 11 1 1 A 108 108 ASP CA C 108 54.515 52.593 1.922 1
1 1181 . 11 1 1 A 108 108 ASP CB C 108 41.436 44.849 -3.413 1
1 1182 . 11 1 1 A 108 108 ASP N N 108 119.275 118.996 0.279 1
1 1183 . 11 1 1 A 109 109 GLY H H 109 8.304 8.389 -0.085 1
1 1184 . 11 1 1 A 109 109 GLY HA2 H 109 3.930 4.221 -0.291 1
1 1185 . 11 1 1 A 109 109 GLY HA3 H 109 3.844 4.226 -0.382 1
1 1186 . 11 1 1 A 109 109 GLY CA C 109 45.809 46.030 -0.221 1
1 1187 . 11 1 1 A 109 109 GLY N N 109 109.463 110.479 -1.016 1
1 1188 . 11 1 1 A 110 110 SER H H 110 8.169 8.619 -0.450 1
1 1189 . 11 1 1 A 110 110 SER HA H 110 4.263 5.441 -1.178 1
1 1190 . 11 1 1 A 110 110 SER CA C 110 59.017 56.911 2.106 1
1 1191 . 11 1 1 A 110 110 SER N N 110 115.630 114.003 1.627 1
1 1192 . 11 1 1 A 111 111 HIS HA H 111 4.522 4.970 -0.448 1
1 1195 . 11 1 1 A 111 111 HIS CA C 111 56.269 54.958 1.311 1
1 1196 . 11 1 1 A 111 111 HIS CB C 111 30.558 31.921 -1.363 1
1 1197 . 11 1 1 A 112 112 HIS HA H 112 4.341 4.266 0.075 1
1 1200 . 11 1 1 A 112 112 HIS CA C 112 57.660 55.169 2.491 1
1 2 . 12 1 1 A 2 2 VAL H H 2 8.608 8.481 0.127 1
1 3 . 12 1 1 A 2 2 VAL HA H 2 4.472 4.484 -0.012 1
1 11 . 12 1 1 A 2 2 VAL CA C 2 61.161 62.186 -1.025 1
1 12 . 12 1 1 A 2 2 VAL CB C 2 35.825 32.331 3.494 1
1 15 . 12 1 1 A 2 2 VAL N N 2 117.995 121.423 -3.428 1
1 16 . 12 1 1 A 3 3 ILE H H 3 8.424 8.977 -0.553 1
1 17 . 12 1 1 A 3 3 ILE HA H 3 4.489 4.566 -0.077 1
1 27 . 12 1 1 A 3 3 ILE CA C 3 60.273 60.414 -0.141 1
1 28 . 12 1 1 A 3 3 ILE CB C 3 38.595 38.373 0.222 1
1 32 . 12 1 1 A 3 3 ILE N N 3 125.647 127.564 -1.917 1
1 33 . 12 1 1 A 4 4 ILE H H 4 8.531 8.708 -0.177 1
1 34 . 12 1 1 A 4 4 ILE HA H 4 3.990 4.125 -0.135 1
1 44 . 12 1 1 A 4 4 ILE CA C 4 61.656 61.852 -0.196 1
1 45 . 12 1 1 A 4 4 ILE CB C 4 38.183 38.551 -0.368 1
1 49 . 12 1 1 A 4 4 ILE N N 4 127.472 130.448 -2.976 1
1 50 . 12 1 1 A 5 5 LYS H H 5 8.277 8.833 -0.556 1
1 51 . 12 1 1 A 5 5 LYS HA H 5 5.164 4.723 0.441 1
1 60 . 12 1 1 A 5 5 LYS CA C 5 53.440 52.921 0.519 1
1 61 . 12 1 1 A 5 5 LYS CB C 5 33.808 35.447 -1.639 1
1 65 . 12 1 1 A 5 5 LYS N N 5 126.697 126.711 -0.014 1
1 66 . 12 1 1 A 6 6 PRO HA H 6 4.370 4.728 -0.358 1
1 73 . 12 1 1 A 6 6 PRO CA C 6 62.493 62.155 0.338 1
1 74 . 12 1 1 A 6 6 PRO CB C 6 32.091 32.711 -0.620 1
1 77 . 12 1 1 A 7 7 GLN H H 7 9.334 8.337 0.997 1
1 78 . 12 1 1 A 7 7 GLN HA H 7 4.348 4.131 0.217 1
1 85 . 12 1 1 A 7 7 GLN CA C 7 56.384 56.649 -0.265 1
1 86 . 12 1 1 A 7 7 GLN CB C 7 28.934 28.494 0.440 1
1 88 . 12 1 1 A 7 7 GLN N N 7 119.944 119.333 0.611 1
1 90 . 12 1 1 A 8 8 VAL H H 8 7.021 7.354 -0.333 1
1 91 . 12 1 1 A 8 8 VAL HA H 8 4.476 4.894 -0.418 1
1 99 . 12 1 1 A 8 8 VAL CA C 8 58.999 58.967 0.032 1
1 100 . 12 1 1 A 8 8 VAL CB C 8 35.347 35.827 -0.480 1
1 103 . 12 1 1 A 8 8 VAL N N 8 111.118 115.209 -4.091 1
1 104 . 12 1 1 A 9 9 SER H H 9 8.155 8.643 -0.488 1
1 105 . 12 1 1 A 9 9 SER HA H 9 4.945 5.046 -0.101 1
1 108 . 12 1 1 A 9 9 SER CA C 9 56.704 56.663 0.041 1
1 109 . 12 1 1 A 9 9 SER CB C 9 64.645 65.587 -0.942 1
1 110 . 12 1 1 A 9 9 SER N N 9 114.983 115.996 -1.013 1
1 111 . 12 1 1 A 10 10 GLY H H 10 7.981 8.262 -0.281 1
1 112 . 12 1 1 A 10 10 GLY HA2 H 10 4.416 4.066 0.350 1
1 113 . 12 1 1 A 10 10 GLY HA3 H 10 3.643 4.117 -0.474 1
1 114 . 12 1 1 A 10 10 GLY CA C 10 45.433 44.849 0.584 1
1 115 . 12 1 1 A 10 10 GLY N N 10 108.602 107.373 1.229 1
1 116 . 12 1 1 A 11 11 VAL H H 11 8.018 7.972 0.046 1
1 117 . 12 1 1 A 11 11 VAL HA H 11 4.740 4.743 -0.003 1
1 125 . 12 1 1 A 11 11 VAL CA C 11 60.580 60.540 0.040 1
1 126 . 12 1 1 A 11 11 VAL CB C 11 35.124 35.760 -0.636 1
1 129 . 12 1 1 A 11 11 VAL N N 11 118.346 120.150 -1.804 1
1 130 . 12 1 1 A 12 12 ILE H H 12 8.452 8.554 -0.102 1
1 131 . 12 1 1 A 12 12 ILE HA H 12 4.042 4.238 -0.196 1
1 141 . 12 1 1 A 12 12 ILE CA C 12 60.400 62.307 -1.907 1
1 142 . 12 1 1 A 12 12 ILE CB C 12 35.725 38.156 -2.431 1
1 146 . 12 1 1 A 12 12 ILE N N 12 125.267 125.716 -0.449 1
1 147 . 12 1 1 A 13 13 VAL H H 13 8.900 9.318 -0.418 1
1 148 . 12 1 1 A 13 13 VAL HA H 13 4.492 4.309 0.183 1
1 156 . 12 1 1 A 13 13 VAL CA C 13 62.168 63.353 -1.185 1
1 157 . 12 1 1 A 13 13 VAL CB C 13 33.406 33.852 -0.446 1
1 160 . 12 1 1 A 13 13 VAL N N 13 124.539 125.465 -0.926 1
1 161 . 12 1 1 A 14 14 ASN H H 14 7.649 7.431 0.218 1
1 162 . 12 1 1 A 14 14 ASN HA H 14 4.805 5.182 -0.377 1
1 167 . 12 1 1 A 14 14 ASN CA C 14 52.950 52.277 0.673 1
1 168 . 12 1 1 A 14 14 ASN CB C 14 42.149 41.946 0.203 1
1 169 . 12 1 1 A 14 14 ASN N N 14 115.008 116.778 -1.770 1
1 171 . 12 1 1 A 15 15 LYS H H 15 8.393 8.539 -0.146 1
1 172 . 12 1 1 A 15 15 LYS HA H 15 4.640 4.698 -0.058 1
1 179 . 12 1 1 A 15 15 LYS CA C 15 55.987 54.805 1.182 1
1 180 . 12 1 1 A 15 15 LYS CB C 15 35.412 33.393 2.019 1
1 183 . 12 1 1 A 15 15 LYS N N 15 123.820 122.051 1.769 1
1 184 . 12 1 1 A 16 16 LEU H H 16 8.015 8.424 -0.409 1
1 185 . 12 1 1 A 16 16 LEU HA H 16 4.983 3.912 1.071 1
1 195 . 12 1 1 A 16 16 LEU CA C 16 55.202 57.649 -2.447 1
1 196 . 12 1 1 A 16 16 LEU CB C 16 41.471 42.241 -0.770 1
1 200 . 12 1 1 A 16 16 LEU N N 16 126.200 126.306 -0.106 1
1 201 . 12 1 1 A 17 17 PHE H H 17 6.522 7.221 -0.699 1
1 202 . 12 1 1 A 17 17 PHE HA H 17 4.858 4.504 0.354 1
1 210 . 12 1 1 A 17 17 PHE CA C 17 55.675 56.085 -0.410 1
1 211 . 12 1 1 A 17 17 PHE CB C 17 41.329 40.905 0.424 1
1 212 . 12 1 1 A 17 17 PHE N N 17 113.650 116.230 -2.580 1
1 213 . 12 1 1 A 18 18 LYS H H 18 8.648 8.783 -0.135 1
1 214 . 12 1 1 A 18 18 LYS HA H 18 4.325 4.405 -0.080 1
1 223 . 12 1 1 A 18 18 LYS CA C 18 54.442 53.870 0.572 1
1 224 . 12 1 1 A 18 18 LYS CB C 18 35.233 35.696 -0.463 1
1 228 . 12 1 1 A 18 18 LYS N N 18 120.586 118.074 2.512 1
1 229 . 12 1 1 A 19 19 ALA H H 19 8.396 8.345 0.051 1
1 230 . 12 1 1 A 19 19 ALA HA H 19 3.956 4.224 -0.268 1
1 234 . 12 1 1 A 19 19 ALA CA C 19 54.151 53.813 0.338 1
1 235 . 12 1 1 A 19 19 ALA CB C 19 18.681 18.293 0.388 1
1 236 . 12 1 1 A 19 19 ALA N N 19 123.901 126.647 -2.746 1
1 237 . 12 1 1 A 20 20 GLY H H 20 8.806 8.784 0.022 1
1 238 . 12 1 1 A 20 20 GLY HA2 H 20 4.299 4.003 0.296 1
1 239 . 12 1 1 A 20 20 GLY HA3 H 20 3.523 4.025 -0.502 1
1 240 . 12 1 1 A 20 20 GLY CA C 20 45.190 45.031 0.159 1
1 241 . 12 1 1 A 20 20 GLY N N 20 112.460 111.597 0.863 1
1 242 . 12 1 1 A 21 21 ASP H H 21 7.923 7.992 -0.069 1
1 243 . 12 1 1 A 21 21 ASP HA H 21 4.489 4.852 -0.363 1
1 246 . 12 1 1 A 21 21 ASP CA C 21 55.477 52.531 2.946 1
1 247 . 12 1 1 A 21 21 ASP CB C 21 41.593 42.618 -1.025 1
1 248 . 12 1 1 A 21 21 ASP N N 21 121.531 121.885 -0.354 1
1 249 . 12 1 1 A 22 22 LYS H H 22 8.292 8.288 0.004 1
1 250 . 12 1 1 A 22 22 LYS HA H 22 4.861 4.926 -0.065 1
1 259 . 12 1 1 A 22 22 LYS CA C 22 55.789 54.612 1.177 1
1 260 . 12 1 1 A 22 22 LYS CB C 22 31.948 35.906 -3.958 1
1 264 . 12 1 1 A 22 22 LYS N N 22 120.223 119.489 0.734 1
1 265 . 12 1 1 A 23 23 VAL H H 23 8.929 8.996 -0.067 1
1 266 . 12 1 1 A 23 23 VAL HA H 23 4.828 5.040 -0.212 1
1 274 . 12 1 1 A 23 23 VAL CA C 23 58.619 59.294 -0.675 1
1 275 . 12 1 1 A 23 23 VAL CB C 23 34.776 35.565 -0.789 1
1 278 . 12 1 1 A 23 23 VAL N N 23 117.770 118.455 -0.685 1
1 279 . 12 1 1 A 24 24 LYS H H 24 7.952 8.320 -0.368 1
1 280 . 12 1 1 A 24 24 LYS HA H 24 4.828 4.480 0.348 1
1 289 . 12 1 1 A 24 24 LYS CA C 24 53.316 55.894 -2.578 1
1 290 . 12 1 1 A 24 24 LYS CB C 24 35.370 33.282 2.088 1
1 294 . 12 1 1 A 24 24 LYS N N 24 121.890 125.389 -3.499 1
1 295 . 12 1 1 A 25 25 LYS H H 25 8.903 8.635 0.268 1
1 296 . 12 1 1 A 25 25 LYS HA H 25 3.152 4.045 -0.893 1
1 304 . 12 1 1 A 25 25 LYS CA C 25 58.780 57.454 1.326 1
1 305 . 12 1 1 A 25 25 LYS CB C 25 32.788 31.523 1.265 1
1 309 . 12 1 1 A 25 25 LYS N N 25 121.717 124.995 -3.278 1
1 310 . 12 1 1 A 26 26 GLY H H 26 8.887 9.102 -0.215 1
1 311 . 12 1 1 A 26 26 GLY HA2 H 26 4.277 3.960 0.317 1
1 312 . 12 1 1 A 26 26 GLY HA3 H 26 3.462 3.979 -0.517 1
1 313 . 12 1 1 A 26 26 GLY CA C 26 45.387 45.053 0.334 1
1 314 . 12 1 1 A 26 26 GLY N N 26 115.271 111.301 3.970 1
1 315 . 12 1 1 A 27 27 GLN H H 27 8.423 7.900 0.523 1
1 316 . 12 1 1 A 27 27 GLN HA H 27 4.134 4.341 -0.207 1
1 323 . 12 1 1 A 27 27 GLN CA C 27 56.461 56.163 0.298 1
1 324 . 12 1 1 A 27 27 GLN CB C 27 30.655 29.098 1.557 1
1 326 . 12 1 1 A 27 27 GLN N N 27 123.160 120.154 3.006 1
1 328 . 12 1 1 A 28 28 THR H H 28 9.094 8.749 0.345 1
1 329 . 12 1 1 A 28 28 THR HA H 28 3.884 4.171 -0.287 1
1 334 . 12 1 1 A 28 28 THR CA C 28 66.017 64.317 1.700 1
1 335 . 12 1 1 A 28 28 THR CB C 28 68.577 68.942 -0.365 1
1 337 . 12 1 1 A 28 28 THR N N 28 124.723 119.252 5.471 1
1 338 . 12 1 1 A 29 29 LEU H H 29 9.499 9.436 0.063 1
1 339 . 12 1 1 A 29 29 LEU HA H 29 4.373 4.421 -0.048 1
1 349 . 12 1 1 A 29 29 LEU CA C 29 55.960 55.764 0.196 1
1 350 . 12 1 1 A 29 29 LEU CB C 29 44.601 43.222 1.379 1
1 354 . 12 1 1 A 29 29 LEU N N 29 125.894 127.168 -1.274 1
1 355 . 12 1 1 A 30 30 PHE H H 30 7.572 7.670 -0.098 1
1 356 . 12 1 1 A 30 30 PHE HA H 30 5.360 5.411 -0.051 1
1 364 . 12 1 1 A 30 30 PHE CA C 30 55.655 56.065 -0.410 1
1 365 . 12 1 1 A 30 30 PHE CB C 30 45.053 43.191 1.862 1
1 366 . 12 1 1 A 30 30 PHE N N 30 111.166 114.732 -3.566 1
1 367 . 12 1 1 A 31 31 ILE H H 31 7.850 8.446 -0.596 1
1 368 . 12 1 1 A 31 31 ILE HA H 31 4.808 4.845 -0.037 1
1 378 . 12 1 1 A 31 31 ILE CA C 31 60.159 59.165 0.994 1
1 379 . 12 1 1 A 31 31 ILE CB C 31 39.584 41.721 -2.137 1
1 383 . 12 1 1 A 31 31 ILE N N 31 119.419 119.785 -0.366 1
1 384 . 12 1 1 A 32 32 ILE H H 32 9.095 9.091 0.004 1
1 385 . 12 1 1 A 32 32 ILE HA H 32 4.830 5.262 -0.432 1
1 395 . 12 1 1 A 32 32 ILE CA C 32 59.205 59.687 -0.482 1
1 396 . 12 1 1 A 32 32 ILE CB C 32 42.206 41.299 0.907 1
1 400 . 12 1 1 A 32 32 ILE N N 32 127.930 126.406 1.524 1
1 401 . 12 1 1 A 33 33 GLU H H 33 9.089 8.931 0.158 1
1 402 . 12 1 1 A 33 33 GLU HA H 33 4.674 4.953 -0.279 1
1 407 . 12 1 1 A 33 33 GLU CA C 33 55.047 54.765 0.282 1
1 408 . 12 1 1 A 33 33 GLU CB C 33 31.851 31.487 0.364 1
1 410 . 12 1 1 A 33 33 GLU N N 33 128.159 125.099 3.060 1
1 411 . 12 1 1 A 34 34 GLN H H 34 8.705 8.911 -0.206 1
1 412 . 12 1 1 A 34 34 GLN HA H 34 4.362 4.225 0.137 1
1 419 . 12 1 1 A 34 34 GLN CA C 34 56.933 58.658 -1.725 1
1 420 . 12 1 1 A 34 34 GLN CB C 34 30.273 29.291 0.982 1
1 422 . 12 1 1 A 34 34 GLN N N 34 128.144 125.945 2.199 1
1 424 . 12 1 1 A 35 35 ASP H H 35 8.488 7.713 0.775 1
1 425 . 12 1 1 A 35 35 ASP HA H 35 4.608 4.791 -0.183 1
1 428 . 12 1 1 A 35 35 ASP CA C 35 54.124 53.413 0.711 1
1 429 . 12 1 1 A 35 35 ASP CB C 35 41.702 42.721 -1.019 1
1 430 . 12 1 1 A 35 35 ASP N N 35 122.441 114.540 7.901 1
1 431 . 12 1 1 A 36 36 GLN H H 36 8.604 8.433 0.171 1
1 432 . 12 1 1 A 36 36 GLN HA H 36 4.021 4.756 -0.735 1
1 439 . 12 1 1 A 36 36 GLN CA C 36 57.273 54.782 2.491 1
1 440 . 12 1 1 A 36 36 GLN CB C 36 29.266 29.008 0.258 1
1 442 . 12 1 1 A 36 36 GLN N N 36 123.042 118.243 4.799 1
1 444 . 12 1 1 A 37 37 ALA H H 37 8.313 7.986 0.327 1
1 445 . 12 1 1 A 37 37 ALA HA H 37 4.212 4.061 0.151 1
1 449 . 12 1 1 A 37 37 ALA CA C 37 53.708 55.239 -1.531 1
1 450 . 12 1 1 A 37 37 ALA CB C 37 18.949 18.103 0.846 1
1 451 . 12 1 1 A 37 37 ALA N N 37 122.748 124.619 -1.871 1
1 452 . 12 1 1 A 38 38 SER H H 38 7.949 7.854 0.095 1
1 453 . 12 1 1 A 38 38 SER HA H 38 4.285 4.610 -0.325 1
1 456 . 12 1 1 A 38 38 SER CA C 38 59.468 59.553 -0.085 1
1 457 . 12 1 1 A 38 38 SER CB C 38 63.874 63.892 -0.018 1
1 458 . 12 1 1 A 38 38 SER N N 38 113.828 113.574 0.254 1
1 459 . 12 1 1 A 39 39 LYS H H 39 8.107 7.750 0.357 1
1 460 . 12 1 1 A 39 39 LYS HA H 39 4.124 3.987 0.137 1
1 469 . 12 1 1 A 39 39 LYS CA C 39 57.821 59.666 -1.845 1
1 470 . 12 1 1 A 39 39 LYS CB C 39 32.978 32.331 0.647 1
1 474 . 12 1 1 A 39 39 LYS N N 39 122.900 122.545 0.355 1
1 475 . 12 1 1 A 40 40 ASP H H 40 8.173 8.085 0.088 1
1 476 . 12 1 1 A 40 40 ASP HA H 40 4.477 4.420 0.057 1
1 479 . 12 1 1 A 40 40 ASP CA C 40 55.164 57.011 -1.847 1
1 480 . 12 1 1 A 40 40 ASP CB C 40 41.359 40.737 0.622 1
1 481 . 12 1 1 A 40 40 ASP N N 40 119.696 119.525 0.171 1
1 482 . 12 1 1 A 41 41 PHE H H 41 8.022 8.347 -0.325 1
1 483 . 12 1 1 A 41 41 PHE HA H 41 4.376 4.124 0.252 1
1 488 . 12 1 1 A 41 41 PHE CA C 41 59.354 61.412 -2.058 1
1 489 . 12 1 1 A 41 41 PHE CB C 41 39.414 39.021 0.393 1
1 490 . 12 1 1 A 41 41 PHE N N 41 121.310 120.025 1.285 1
1 491 . 12 1 1 A 42 42 ASN H H 42 8.247 8.867 -0.620 1
1 492 . 12 1 1 A 42 42 ASN HA H 42 4.483 4.433 0.050 1
1 497 . 12 1 1 A 42 42 ASN CA C 42 54.383 56.397 -2.014 1
1 498 . 12 1 1 A 42 42 ASN CB C 42 38.853 38.813 0.040 1
1 499 . 12 1 1 A 42 42 ASN N N 42 119.282 117.295 1.987 1
1 501 . 12 1 1 A 43 43 ARG H H 43 8.048 8.301 -0.253 1
1 502 . 12 1 1 A 43 43 ARG HA H 43 4.130 4.104 0.026 1
1 509 . 12 1 1 A 43 43 ARG CA C 43 57.429 58.618 -1.189 1
1 510 . 12 1 1 A 43 43 ARG CB C 43 30.503 29.853 0.650 1
1 513 . 12 1 1 A 43 43 ARG N N 43 121.050 118.304 2.746 1
1 514 . 12 1 1 A 44 44 SER H H 44 8.111 8.010 0.101 1
1 515 . 12 1 1 A 44 44 SER HA H 44 4.262 4.132 0.130 1
1 518 . 12 1 1 A 44 44 SER CA C 44 59.660 61.999 -2.339 1
1 519 . 12 1 1 A 44 44 SER CB C 44 63.810 62.797 1.013 1
1 520 . 12 1 1 A 44 44 SER N N 44 115.587 117.506 -1.919 1
1 521 . 12 1 1 A 45 45 LYS H H 45 7.968 7.787 0.181 1
1 522 . 12 1 1 A 45 45 LYS HA H 45 4.132 4.150 -0.018 1
1 526 . 12 1 1 A 45 45 LYS CA C 45 57.193 58.679 -1.486 1
1 527 . 12 1 1 A 45 45 LYS CB C 45 32.534 32.250 0.284 1
1 529 . 12 1 1 A 45 45 LYS N N 45 122.205 120.958 1.247 1
1 530 . 12 1 1 A 46 46 ALA H H 46 7.936 8.320 -0.384 1
1 531 . 12 1 1 A 46 46 ALA HA H 46 4.179 4.108 0.071 1
1 535 . 12 1 1 A 46 46 ALA CA C 46 53.196 54.299 -1.103 1
1 536 . 12 1 1 A 46 46 ALA CB C 46 19.279 18.531 0.748 1
1 537 . 12 1 1 A 46 46 ALA N N 46 123.430 121.511 1.919 1
1 538 . 12 1 1 A 47 47 LEU H H 47 7.873 7.555 0.318 1
1 539 . 12 1 1 A 47 47 LEU HA H 47 4.147 4.077 0.070 1
1 549 . 12 1 1 A 47 47 LEU CA C 47 55.854 57.307 -1.453 1
1 550 . 12 1 1 A 47 47 LEU CB C 47 42.536 42.483 0.053 1
1 554 . 12 1 1 A 47 47 LEU N N 47 119.760 118.738 1.022 1
1 555 . 12 1 1 A 48 48 PHE H H 48 7.960 7.924 0.036 1
1 556 . 12 1 1 A 48 48 PHE HA H 48 4.540 4.755 -0.215 1
1 561 . 12 1 1 A 48 48 PHE CA C 48 58.150 58.178 -0.028 1
1 562 . 12 1 1 A 48 48 PHE CB C 48 39.499 40.845 -1.346 1
1 563 . 12 1 1 A 48 48 PHE N N 48 119.481 115.168 4.313 1
1 564 . 12 1 1 A 49 49 SER H H 49 8.011 8.488 -0.477 1
1 565 . 12 1 1 A 49 49 SER HA H 49 4.333 4.745 -0.412 1
1 566 . 12 1 1 A 49 49 SER CA C 49 58.675 59.300 -0.625 1
1 567 . 12 1 1 A 49 49 SER N N 49 116.263 113.144 3.119 1
1 568 . 12 1 1 A 50 50 GLN H H 50 8.252 8.174 0.078 1
1 569 . 12 1 1 A 50 50 GLN HA H 50 4.250 4.175 0.075 1
1 576 . 12 1 1 A 50 50 GLN CA C 50 56.570 58.640 -2.070 1
1 577 . 12 1 1 A 50 50 GLN CB C 50 29.372 28.776 0.596 1
1 579 . 12 1 1 A 50 50 GLN N N 50 121.890 122.779 -0.889 1
1 581 . 12 1 1 A 51 51 SER H H 51 8.143 7.969 0.174 1
1 582 . 12 1 1 A 51 51 SER HA H 51 4.332 4.338 -0.006 1
1 583 . 12 1 1 A 51 51 SER CA C 51 58.848 60.003 -1.155 1
1 584 . 12 1 1 A 51 51 SER N N 51 115.677 113.801 1.876 1
1 585 . 12 1 1 A 52 52 ALA H H 52 8.168 7.409 0.759 1
1 586 . 12 1 1 A 52 52 ALA HA H 52 4.261 4.381 -0.120 1
1 590 . 12 1 1 A 52 52 ALA CA C 52 53.119 51.697 1.422 1
1 591 . 12 1 1 A 52 52 ALA CB C 52 19.175 20.302 -1.127 1
1 592 . 12 1 1 A 52 52 ALA N N 52 125.354 125.360 -0.006 1
1 593 . 12 1 1 A 53 53 ILE H H 53 7.858 8.362 -0.504 1
1 594 . 12 1 1 A 53 53 ILE HA H 53 4.094 4.596 -0.502 1
1 604 . 12 1 1 A 53 53 ILE CA C 53 61.666 60.944 0.722 1
1 605 . 12 1 1 A 53 53 ILE CB C 53 39.015 39.036 -0.021 1
1 609 . 12 1 1 A 53 53 ILE N N 53 118.218 116.918 1.300 1
1 610 . 12 1 1 A 54 54 SER H H 54 8.152 7.607 0.545 1
1 611 . 12 1 1 A 54 54 SER HA H 54 4.348 4.284 0.064 1
1 614 . 12 1 1 A 54 54 SER CA C 54 58.678 59.964 -1.286 1
1 615 . 12 1 1 A 54 54 SER CB C 54 64.002 63.820 0.182 1
1 616 . 12 1 1 A 54 54 SER N N 54 118.590 118.859 -0.269 1
1 617 . 12 1 1 A 55 55 GLN H H 55 8.298 8.935 -0.637 1
1 618 . 12 1 1 A 55 55 GLN HA H 55 4.198 4.096 0.102 1
1 625 . 12 1 1 A 55 55 GLN CA C 55 56.690 58.048 -1.358 1
1 626 . 12 1 1 A 55 55 GLN CB C 55 29.393 28.316 1.077 1
1 628 . 12 1 1 A 55 55 GLN N N 55 122.154 123.770 -1.616 1
1 630 . 12 1 1 A 56 56 LYS H H 56 8.153 8.015 0.138 1
1 631 . 12 1 1 A 56 56 LYS HA H 56 4.161 4.541 -0.380 1
1 636 . 12 1 1 A 56 56 LYS CA C 56 57.174 55.669 1.505 1
1 637 . 12 1 1 A 56 56 LYS CB C 56 32.991 33.929 -0.938 1
1 639 . 12 1 1 A 56 56 LYS N N 56 121.127 117.649 3.478 1
1 640 . 12 1 1 A 57 57 GLU H H 57 8.201 8.128 0.073 1
1 641 . 12 1 1 A 57 57 GLU HA H 57 4.151 4.468 -0.317 1
1 646 . 12 1 1 A 57 57 GLU CA C 57 57.273 57.883 -0.610 1
1 647 . 12 1 1 A 57 57 GLU CB C 57 30.262 30.884 -0.622 1
1 649 . 12 1 1 A 57 57 GLU N N 57 120.626 117.409 3.217 1
1 650 . 12 1 1 A 58 58 TYR H H 58 8.057 8.633 -0.576 1
1 651 . 12 1 1 A 58 58 TYR HA H 58 4.375 4.381 -0.006 1
1 658 . 12 1 1 A 58 58 TYR CA C 58 58.721 60.045 -1.324 1
1 659 . 12 1 1 A 58 58 TYR CB C 58 39.096 37.032 2.064 1
1 660 . 12 1 1 A 58 58 TYR N N 58 120.841 118.641 2.200 1
1 661 . 12 1 1 A 59 59 ASP H H 59 8.144 8.140 0.004 1
1 662 . 12 1 1 A 59 59 ASP HA H 59 4.493 3.739 0.754 1
1 665 . 12 1 1 A 59 59 ASP CA C 59 54.505 54.600 -0.095 1
1 666 . 12 1 1 A 59 59 ASP CB C 59 41.233 38.957 2.276 1
1 667 . 12 1 1 A 59 59 ASP N N 59 122.549 120.899 1.650 1
1 668 . 12 1 1 A 60 60 SER H H 60 8.245 7.564 0.681 1
1 669 . 12 1 1 A 60 60 SER HA H 60 4.255 4.208 0.047 1
1 670 . 12 1 1 A 60 60 SER CA C 60 59.650 61.631 -1.981 1
1 671 . 12 1 1 A 60 60 SER N N 60 117.646 116.779 0.867 1
1 672 . 12 1 1 A 61 61 SER H H 61 8.329 7.786 0.543 1
1 673 . 12 1 1 A 61 61 SER HA H 61 4.307 4.460 -0.153 1
1 676 . 12 1 1 A 61 61 SER CA C 61 59.882 59.178 0.704 1
1 677 . 12 1 1 A 61 61 SER CB C 61 63.888 64.075 -0.187 1
1 678 . 12 1 1 A 61 61 SER N N 61 118.138 114.559 3.579 1
1 679 . 12 1 1 A 62 62 LEU H H 62 7.753 7.554 0.199 1
1 680 . 12 1 1 A 62 62 LEU HA H 62 4.227 4.310 -0.083 1
1 690 . 12 1 1 A 62 62 LEU CA C 62 55.640 55.715 -0.075 1
1 691 . 12 1 1 A 62 62 LEU CB C 62 42.389 42.805 -0.416 1
1 695 . 12 1 1 A 62 62 LEU N N 62 122.616 119.836 2.780 1
1 696 . 12 1 1 A 63 63 ALA H H 63 7.908 7.530 0.378 1
1 697 . 12 1 1 A 63 63 ALA HA H 63 4.266 4.682 -0.416 1
1 701 . 12 1 1 A 63 63 ALA CA C 63 53.071 51.270 1.801 1
1 702 . 12 1 1 A 63 63 ALA CB C 63 19.373 22.951 -3.578 1
1 703 . 12 1 1 A 63 63 ALA N N 63 123.326 117.995 5.331 1
1 704 . 12 1 1 A 64 64 THR H H 64 7.855 8.679 -0.824 1
1 705 . 12 1 1 A 64 64 THR HA H 64 4.212 4.854 -0.642 1
1 710 . 12 1 1 A 64 64 THR CA C 64 61.955 59.834 2.121 1
1 711 . 12 1 1 A 64 64 THR CB C 64 69.997 72.465 -2.468 1
1 713 . 12 1 1 A 64 64 THR N N 64 112.019 108.012 4.007 1
1 714 . 12 1 1 A 65 65 LEU H H 65 7.970 8.358 -0.388 1
1 715 . 12 1 1 A 65 65 LEU HA H 65 4.290 4.284 0.006 1
1 725 . 12 1 1 A 65 65 LEU CA C 65 55.509 53.732 1.777 1
1 726 . 12 1 1 A 65 65 LEU CB C 65 42.619 39.853 2.766 1
1 730 . 12 1 1 A 65 65 LEU N N 65 123.564 121.107 2.457 1
1 731 . 12 1 1 A 66 66 ASP H H 66 8.271 8.078 0.193 1
1 732 . 12 1 1 A 66 66 ASP HA H 66 4.538 4.109 0.429 1
1 735 . 12 1 1 A 66 66 ASP CA C 66 54.906 55.200 -0.294 1
1 736 . 12 1 1 A 66 66 ASP CB C 66 41.384 39.102 2.282 1
1 737 . 12 1 1 A 66 66 ASP N N 66 120.385 113.910 6.475 1
1 738 . 12 1 1 A 67 67 HIS H H 67 8.020 7.648 0.372 1
1 739 . 12 1 1 A 67 67 HIS HA H 67 5.236 5.045 0.191 1
1 744 . 12 1 1 A 67 67 HIS CA C 67 55.411 56.464 -1.053 1
1 745 . 12 1 1 A 67 67 HIS CB C 67 32.135 31.618 0.517 1
1 746 . 12 1 1 A 67 67 HIS N N 67 119.214 117.323 1.891 1
1 747 . 12 1 1 A 68 68 THR H H 68 8.903 8.876 0.027 1
1 748 . 12 1 1 A 68 68 THR HA H 68 4.474 4.820 -0.346 1
1 753 . 12 1 1 A 68 68 THR CA C 68 62.536 61.128 1.408 1
1 754 . 12 1 1 A 68 68 THR CB C 68 71.267 72.415 -1.148 1
1 756 . 12 1 1 A 68 68 THR N N 68 117.138 114.988 2.150 1
1 757 . 12 1 1 A 69 69 GLU H H 69 8.630 8.827 -0.197 1
1 758 . 12 1 1 A 69 69 GLU HA H 69 4.480 5.276 -0.796 1
1 763 . 12 1 1 A 69 69 GLU CA C 69 56.016 55.160 0.856 1
1 764 . 12 1 1 A 69 69 GLU CB C 69 31.824 32.222 -0.398 1
1 766 . 12 1 1 A 69 69 GLU N N 69 124.226 123.434 0.792 1
1 767 . 12 1 1 A 70 70 ILE H H 70 8.589 8.785 -0.196 1
1 768 . 12 1 1 A 70 70 ILE HA H 70 4.405 5.000 -0.595 1
1 778 . 12 1 1 A 70 70 ILE CA C 70 59.367 59.836 -0.469 1
1 779 . 12 1 1 A 70 70 ILE CB C 70 37.492 40.906 -3.414 1
1 783 . 12 1 1 A 70 70 ILE N N 70 123.526 121.135 2.391 1
1 784 . 12 1 1 A 71 71 LYS H H 71 8.910 8.974 -0.064 1
1 785 . 12 1 1 A 71 71 LYS HA H 71 5.070 5.036 0.034 1
1 790 . 12 1 1 A 71 71 LYS CA C 71 54.732 54.298 0.434 1
1 791 . 12 1 1 A 71 71 LYS CB C 71 36.388 36.173 0.215 1
1 793 . 12 1 1 A 71 71 LYS N N 71 128.313 124.485 3.828 1
1 794 . 12 1 1 A 72 72 ALA H H 72 8.623 8.921 -0.298 1
1 795 . 12 1 1 A 72 72 ALA HA H 72 4.060 4.335 -0.275 1
1 799 . 12 1 1 A 72 72 ALA CA C 72 50.119 51.038 -0.919 1
1 800 . 12 1 1 A 72 72 ALA CB C 72 17.261 17.785 -0.524 1
1 801 . 12 1 1 A 72 72 ALA N N 72 123.091 122.631 0.460 1
1 802 . 12 1 1 A 73 73 PRO HA H 73 4.328 4.469 -0.141 1
1 809 . 12 1 1 A 73 73 PRO CA C 73 63.731 64.476 -0.745 1
1 810 . 12 1 1 A 73 73 PRO CB C 73 32.196 32.049 0.147 1
1 813 . 12 1 1 A 74 74 PHE H H 74 6.758 6.852 -0.094 1
1 814 . 12 1 1 A 74 74 PHE HA H 74 4.414 4.975 -0.561 1
1 821 . 12 1 1 A 74 74 PHE CA C 74 54.539 56.072 -1.533 1
1 822 . 12 1 1 A 74 74 PHE CB C 74 40.862 40.617 0.245 1
1 823 . 12 1 1 A 74 74 PHE N N 74 112.045 113.019 -0.974 1
1 824 . 12 1 1 A 75 75 ASP H H 75 8.563 8.944 -0.381 1
1 825 . 12 1 1 A 75 75 ASP HA H 75 4.915 4.732 0.183 1
1 828 . 12 1 1 A 75 75 ASP CA C 75 54.108 55.581 -1.473 1
1 829 . 12 1 1 A 75 75 ASP CB C 75 41.011 41.617 -0.606 1
1 830 . 12 1 1 A 75 75 ASP N N 75 118.284 120.805 -2.521 1
1 831 . 12 1 1 A 76 76 GLY H H 76 8.340 8.486 -0.146 1
1 832 . 12 1 1 A 76 76 GLY HA2 H 76 4.228 4.342 -0.114 1
1 833 . 12 1 1 A 76 76 GLY HA3 H 76 4.070 4.355 -0.285 1
1 834 . 12 1 1 A 76 76 GLY CA C 76 46.761 46.283 0.478 1
1 835 . 12 1 1 A 76 76 GLY N N 76 108.739 111.925 -3.186 1
1 836 . 12 1 1 A 77 77 THR H H 77 8.607 9.067 -0.460 1
1 837 . 12 1 1 A 77 77 THR HA H 77 4.966 5.124 -0.158 1
1 842 . 12 1 1 A 77 77 THR CA C 77 61.891 61.517 0.374 1
1 843 . 12 1 1 A 77 77 THR CB C 77 70.413 71.334 -0.921 1
1 845 . 12 1 1 A 77 77 THR N N 77 116.423 116.195 0.228 1
1 846 . 12 1 1 A 78 78 ILE H H 78 8.815 8.779 0.036 1
1 847 . 12 1 1 A 78 78 ILE HA H 78 4.656 4.868 -0.212 1
1 857 . 12 1 1 A 78 78 ILE CA C 78 60.214 59.592 0.622 1
1 858 . 12 1 1 A 78 78 ILE CB C 78 43.110 42.227 0.883 1
1 862 . 12 1 1 A 78 78 ILE N N 78 129.313 122.554 6.759 1
1 863 . 12 1 1 A 79 79 GLY H H 79 8.052 8.919 -0.867 1
1 864 . 12 1 1 A 79 79 GLY HA2 H 79 4.394 4.147 0.247 1
1 865 . 12 1 1 A 79 79 GLY HA3 H 79 3.765 4.151 -0.386 1
1 866 . 12 1 1 A 79 79 GLY CA C 79 44.297 44.311 -0.014 1
1 867 . 12 1 1 A 79 79 GLY N N 79 114.522 116.352 -1.830 1
1 868 . 12 1 1 A 80 80 ASP H H 80 7.792 8.527 -0.735 1
1 869 . 12 1 1 A 80 80 ASP HA H 80 4.706 4.590 0.116 1
1 872 . 12 1 1 A 80 80 ASP CA C 80 53.784 54.619 -0.835 1
1 873 . 12 1 1 A 80 80 ASP CB C 80 42.062 40.960 1.102 1
1 874 . 12 1 1 A 80 80 ASP N N 80 113.706 118.080 -4.374 1
1 875 . 12 1 1 A 81 81 ALA H H 81 8.552 8.742 -0.190 1
1 876 . 12 1 1 A 81 81 ALA HA H 81 4.567 4.668 -0.101 1
1 880 . 12 1 1 A 81 81 ALA CA C 81 53.345 53.115 0.230 1
1 881 . 12 1 1 A 81 81 ALA CB C 81 20.325 19.306 1.019 1
1 882 . 12 1 1 A 81 81 ALA N N 81 124.168 126.152 -1.984 1
1 883 . 12 1 1 A 82 82 LEU H H 82 8.734 9.579 -0.845 1
1 884 . 12 1 1 A 82 82 LEU HA H 82 4.338 4.633 -0.295 1
1 893 . 12 1 1 A 82 82 LEU CA C 82 55.320 54.881 0.439 1
1 894 . 12 1 1 A 82 82 LEU CB C 82 41.616 42.809 -1.193 1
1 897 . 12 1 1 A 82 82 LEU N N 82 121.830 123.931 -2.101 1
1 898 . 12 1 1 A 83 83 VAL H H 83 7.136 7.614 -0.478 1
1 899 . 12 1 1 A 83 83 VAL HA H 83 4.489 4.973 -0.484 1
1 907 . 12 1 1 A 83 83 VAL CA C 83 58.552 58.517 0.035 1
1 908 . 12 1 1 A 83 83 VAL CB C 83 35.418 36.068 -0.650 1
1 911 . 12 1 1 A 83 83 VAL N N 83 108.193 112.807 -4.614 1
1 912 . 12 1 1 A 84 84 ASN H H 84 9.073 8.990 0.083 1
1 913 . 12 1 1 A 84 84 ASN HA H 84 4.872 5.319 -0.447 1
1 918 . 12 1 1 A 84 84 ASN CA C 84 51.417 51.389 0.028 1
1 919 . 12 1 1 A 84 84 ASN CB C 84 42.127 42.906 -0.779 1
1 920 . 12 1 1 A 84 84 ASN N N 84 119.533 119.478 0.055 1
1 922 . 12 1 1 A 85 85 ILE H H 85 8.390 8.522 -0.132 1
1 923 . 12 1 1 A 85 85 ILE HA H 85 3.384 3.735 -0.351 1
1 933 . 12 1 1 A 85 85 ILE CA C 85 63.985 63.942 0.043 1
1 934 . 12 1 1 A 85 85 ILE CB C 85 37.368 37.237 0.131 1
1 938 . 12 1 1 A 85 85 ILE N N 85 119.414 122.426 -3.012 1
1 939 . 12 1 1 A 86 86 GLY H H 86 9.229 8.551 0.678 1
1 940 . 12 1 1 A 86 86 GLY HA2 H 86 4.392 4.063 0.329 1
1 941 . 12 1 1 A 86 86 GLY HA3 H 86 3.412 4.066 -0.654 1
1 942 . 12 1 1 A 86 86 GLY CA C 86 44.946 44.957 -0.011 1
1 943 . 12 1 1 A 86 86 GLY N N 86 117.337 115.552 1.785 1
1 944 . 12 1 1 A 87 87 ASP H H 87 7.956 8.417 -0.461 1
1 945 . 12 1 1 A 87 87 ASP HA H 87 4.599 4.670 -0.071 1
1 948 . 12 1 1 A 87 87 ASP CA C 87 55.055 54.935 0.120 1
1 949 . 12 1 1 A 87 87 ASP CB C 87 40.978 41.254 -0.276 1
1 950 . 12 1 1 A 87 87 ASP N N 87 121.511 121.991 -0.480 1
1 951 . 12 1 1 A 88 88 TYR H H 88 8.545 8.846 -0.301 1
1 952 . 12 1 1 A 88 88 TYR HA H 88 4.718 4.729 -0.011 1
1 959 . 12 1 1 A 88 88 TYR CA C 88 57.954 57.359 0.595 1
1 960 . 12 1 1 A 88 88 TYR CB C 88 39.411 38.469 0.942 1
1 961 . 12 1 1 A 88 88 TYR N N 88 122.327 125.822 -3.495 1
1 962 . 12 1 1 A 89 89 VAL H H 89 8.937 8.347 0.590 1
1 963 . 12 1 1 A 89 89 VAL HA H 89 4.565 5.070 -0.505 1
1 971 . 12 1 1 A 89 89 VAL CA C 89 58.580 59.546 -0.966 1
1 972 . 12 1 1 A 89 89 VAL CB C 89 34.504 33.891 0.613 1
1 975 . 12 1 1 A 89 89 VAL N N 89 121.838 123.061 -1.223 1
1 976 . 12 1 1 A 90 90 SER H H 90 8.761 8.528 0.233 1
1 977 . 12 1 1 A 90 90 SER HA H 90 4.562 5.120 -0.558 1
1 980 . 12 1 1 A 90 90 SER CA C 90 56.974 56.120 0.854 1
1 981 . 12 1 1 A 90 90 SER CB C 90 65.027 65.593 -0.566 1
1 982 . 12 1 1 A 90 90 SER N N 90 114.806 116.847 -2.041 1
1 983 . 12 1 1 A 91 91 ALA H H 91 8.692 8.955 -0.263 1
1 984 . 12 1 1 A 91 91 ALA HA H 91 3.505 4.086 -0.581 1
1 988 . 12 1 1 A 91 91 ALA CA C 91 53.471 54.853 -1.382 1
1 989 . 12 1 1 A 91 91 ALA CB C 91 18.719 18.392 0.327 1
1 990 . 12 1 1 A 91 91 ALA N N 91 129.873 129.186 0.687 1
1 991 . 12 1 1 A 92 92 SER H H 92 9.156 7.921 1.235 1
1 992 . 12 1 1 A 92 92 SER HA H 92 3.804 4.654 -0.850 1
1 995 . 12 1 1 A 92 92 SER CA C 92 60.827 57.119 3.708 1
1 996 . 12 1 1 A 92 92 SER CB C 92 62.630 64.622 -1.992 1
1 997 . 12 1 1 A 92 92 SER N N 92 113.297 108.181 5.116 1
1 998 . 12 1 1 A 93 93 THR H H 93 7.806 7.521 0.285 1
1 999 . 12 1 1 A 93 93 THR HA H 93 4.387 4.404 -0.017 1
1 1004 . 12 1 1 A 93 93 THR CA C 93 64.607 63.275 1.332 1
1 1005 . 12 1 1 A 93 93 THR CB C 93 71.127 69.944 1.183 1
1 1007 . 12 1 1 A 93 93 THR N N 93 113.896 114.947 -1.051 1
1 1008 . 12 1 1 A 94 94 THR H H 94 7.691 7.639 0.052 1
1 1009 . 12 1 1 A 94 94 THR HA H 94 3.899 4.488 -0.589 1
1 1014 . 12 1 1 A 94 94 THR CA C 94 65.258 62.346 2.912 1
1 1015 . 12 1 1 A 94 94 THR CB C 94 70.283 71.330 -1.047 1
1 1017 . 12 1 1 A 94 94 THR N N 94 119.603 111.159 8.444 1
1 1018 . 12 1 1 A 95 95 GLU H H 95 8.389 7.987 0.402 1
1 1019 . 12 1 1 A 95 95 GLU HA H 95 3.793 4.165 -0.372 1
1 1024 . 12 1 1 A 95 95 GLU CA C 95 56.783 57.471 -0.688 1
1 1025 . 12 1 1 A 95 95 GLU CB C 95 29.777 28.455 1.322 1
1 1027 . 12 1 1 A 95 95 GLU N N 95 124.816 117.925 6.891 1
1 1028 . 12 1 1 A 96 96 LEU H H 96 8.735 8.072 0.663 1
1 1029 . 12 1 1 A 96 96 LEU HA H 96 4.249 4.250 -0.001 1
1 1039 . 12 1 1 A 96 96 LEU CA C 96 57.071 55.853 1.218 1
1 1040 . 12 1 1 A 96 96 LEU CB C 96 43.517 42.272 1.245 1
1 1044 . 12 1 1 A 96 96 LEU N N 96 120.104 125.728 -5.624 1
1 1045 . 12 1 1 A 97 97 VAL H H 97 7.049 7.322 -0.273 1
1 1046 . 12 1 1 A 97 97 VAL HA H 97 4.334 4.356 -0.022 1
1 1054 . 12 1 1 A 97 97 VAL CA C 97 61.411 60.974 0.437 1
1 1055 . 12 1 1 A 97 97 VAL CB C 97 31.724 34.045 -2.321 1
1 1058 . 12 1 1 A 97 97 VAL N N 97 112.399 114.311 -1.912 1
1 1059 . 12 1 1 A 98 98 ARG H H 98 8.968 8.567 0.401 1
1 1060 . 12 1 1 A 98 98 ARG HA H 98 5.255 5.264 -0.009 1
1 1067 . 12 1 1 A 98 98 ARG CA C 98 55.391 54.507 0.884 1
1 1068 . 12 1 1 A 98 98 ARG CB C 98 32.925 33.381 -0.456 1
1 1071 . 12 1 1 A 98 98 ARG N N 98 127.489 121.767 5.722 1
1 1072 . 12 1 1 A 99 99 VAL H H 99 8.884 8.699 0.185 1
1 1073 . 12 1 1 A 99 99 VAL HA H 99 4.554 4.801 -0.247 1
1 1078 . 12 1 1 A 99 99 VAL CA C 99 60.996 61.175 -0.179 1
1 1079 . 12 1 1 A 99 99 VAL CB C 99 34.358 34.041 0.317 1
1 1081 . 12 1 1 A 99 99 VAL N N 99 122.863 122.505 0.358 1
1 1082 . 12 1 1 A 100 100 THR H H 100 8.823 9.227 -0.404 1
1 1083 . 12 1 1 A 100 100 THR HA H 100 4.552 4.994 -0.442 1
1 1088 . 12 1 1 A 100 100 THR CA C 100 61.105 60.743 0.362 1
1 1089 . 12 1 1 A 100 100 THR CB C 100 70.859 71.698 -0.839 1
1 1091 . 12 1 1 A 100 100 THR N N 100 121.813 122.434 -0.621 1
1 1092 . 12 1 1 A 101 101 ASN H H 101 8.146 9.132 -0.986 1
1 1093 . 12 1 1 A 101 101 ASN HA H 101 4.505 4.975 -0.470 1
1 1098 . 12 1 1 A 101 101 ASN CA C 101 54.283 53.959 0.324 1
1 1099 . 12 1 1 A 101 101 ASN CB C 101 38.631 39.475 -0.844 1
1 1100 . 12 1 1 A 101 101 ASN N N 101 122.582 128.816 -6.234 1
1 1102 . 12 1 1 A 102 102 LEU H H 102 8.154 8.668 -0.514 1
1 1103 . 12 1 1 A 102 102 LEU HA H 102 4.236 4.382 -0.146 1
1 1113 . 12 1 1 A 102 102 LEU CA C 102 55.618 54.859 0.759 1
1 1114 . 12 1 1 A 102 102 LEU CB C 102 42.842 42.450 0.392 1
1 1118 . 12 1 1 A 102 102 LEU N N 102 122.572 123.829 -1.257 1
1 1119 . 12 1 1 A 103 103 ASN H H 103 8.393 8.730 -0.337 1
1 1120 . 12 1 1 A 103 103 ASN HA H 103 4.862 4.772 0.090 1
1 1125 . 12 1 1 A 103 103 ASN CA C 103 51.431 51.943 -0.512 1
1 1126 . 12 1 1 A 103 103 ASN CB C 103 39.172 37.628 1.544 1
1 1127 . 12 1 1 A 103 103 ASN N N 103 120.155 119.093 1.062 1
1 1129 . 12 1 1 A 104 104 PRO HA H 104 4.224 4.599 -0.375 1
1 1136 . 12 1 1 A 104 104 PRO CA C 104 63.636 63.877 -0.241 1
1 1137 . 12 1 1 A 104 104 PRO CB C 104 32.301 33.075 -0.774 1
1 1140 . 12 1 1 A 105 105 ILE H H 105 7.870 7.874 -0.004 1
1 1141 . 12 1 1 A 105 105 ILE HA H 105 3.934 3.939 -0.005 1
1 1151 . 12 1 1 A 105 105 ILE CA C 105 61.566 62.670 -1.104 1
1 1152 . 12 1 1 A 105 105 ILE CB C 105 38.723 37.155 1.568 1
1 1156 . 12 1 1 A 105 105 ILE N N 105 119.425 117.173 2.252 1
1 1157 . 12 1 1 A 106 106 TYR H H 106 7.945 7.315 0.630 1
1 1158 . 12 1 1 A 106 106 TYR HA H 106 4.529 4.614 -0.085 1
1 1165 . 12 1 1 A 106 106 TYR CA C 106 57.548 56.794 0.754 1
1 1166 . 12 1 1 A 106 106 TYR CB C 106 39.048 37.642 1.406 1
1 1167 . 12 1 1 A 106 106 TYR N N 106 123.138 120.610 2.528 1
1 1168 . 12 1 1 A 107 107 ALA H H 107 8.113 7.906 0.207 1
1 1169 . 12 1 1 A 107 107 ALA HA H 107 4.213 4.151 0.062 1
1 1173 . 12 1 1 A 107 107 ALA CA C 107 52.847 53.142 -0.295 1
1 1174 . 12 1 1 A 107 107 ALA CB C 107 19.450 17.310 2.140 1
1 1175 . 12 1 1 A 107 107 ALA N N 107 125.476 119.707 5.769 1
1 1176 . 12 1 1 A 108 108 ASP H H 108 8.140 7.952 0.188 1
1 1177 . 12 1 1 A 108 108 ASP HA H 108 4.502 4.988 -0.486 1
1 1180 . 12 1 1 A 108 108 ASP CA C 108 54.515 53.564 0.951 1
1 1181 . 12 1 1 A 108 108 ASP CB C 108 41.436 42.520 -1.084 1
1 1182 . 12 1 1 A 108 108 ASP N N 108 119.275 116.670 2.605 1
1 1183 . 12 1 1 A 109 109 GLY H H 109 8.304 7.771 0.533 1
1 1184 . 12 1 1 A 109 109 GLY HA2 H 109 3.930 4.042 -0.112 1
1 1185 . 12 1 1 A 109 109 GLY HA3 H 109 3.844 4.049 -0.205 1
1 1186 . 12 1 1 A 109 109 GLY CA C 109 45.809 45.556 0.253 1
1 1187 . 12 1 1 A 109 109 GLY N N 109 109.463 107.304 2.159 1
1 1188 . 12 1 1 A 110 110 SER H H 110 8.169 7.907 0.262 1
1 1189 . 12 1 1 A 110 110 SER HA H 110 4.263 4.665 -0.402 1
1 1190 . 12 1 1 A 110 110 SER CA C 110 59.017 57.311 1.706 1
1 1191 . 12 1 1 A 110 110 SER N N 110 115.630 115.572 0.058 1
1 1192 . 12 1 1 A 111 111 HIS HA H 111 4.522 5.031 -0.509 1
1 1195 . 12 1 1 A 111 111 HIS CA C 111 56.269 55.425 0.844 1
1 1196 . 12 1 1 A 111 111 HIS CB C 111 30.558 33.565 -3.007 1
1 1197 . 12 1 1 A 112 112 HIS HA H 112 4.341 4.912 -0.571 1
1 1200 . 12 1 1 A 112 112 HIS CA C 112 57.660 54.230 3.430 1
1 2 . 13 1 1 A 2 2 VAL H H 2 8.608 8.234 0.374 1
1 3 . 13 1 1 A 2 2 VAL HA H 2 4.472 4.259 0.213 1
1 11 . 13 1 1 A 2 2 VAL CA C 2 61.161 62.287 -1.126 1
1 12 . 13 1 1 A 2 2 VAL CB C 2 35.825 32.642 3.183 1
1 15 . 13 1 1 A 2 2 VAL N N 2 117.995 117.379 0.616 1
1 16 . 13 1 1 A 3 3 ILE H H 3 8.424 8.934 -0.510 1
1 17 . 13 1 1 A 3 3 ILE HA H 3 4.489 4.683 -0.194 1
1 27 . 13 1 1 A 3 3 ILE CA C 3 60.273 60.473 -0.200 1
1 28 . 13 1 1 A 3 3 ILE CB C 3 38.595 38.723 -0.128 1
1 32 . 13 1 1 A 3 3 ILE N N 3 125.647 126.602 -0.955 1
1 33 . 13 1 1 A 4 4 ILE H H 4 8.531 8.735 -0.204 1
1 34 . 13 1 1 A 4 4 ILE HA H 4 3.990 4.059 -0.069 1
1 44 . 13 1 1 A 4 4 ILE CA C 4 61.656 61.822 -0.166 1
1 45 . 13 1 1 A 4 4 ILE CB C 4 38.183 38.607 -0.424 1
1 49 . 13 1 1 A 4 4 ILE N N 4 127.472 130.572 -3.100 1
1 50 . 13 1 1 A 5 5 LYS H H 5 8.277 8.853 -0.576 1
1 51 . 13 1 1 A 5 5 LYS HA H 5 5.164 4.727 0.437 1
1 60 . 13 1 1 A 5 5 LYS CA C 5 53.440 52.932 0.508 1
1 61 . 13 1 1 A 5 5 LYS CB C 5 33.808 35.370 -1.562 1
1 65 . 13 1 1 A 5 5 LYS N N 5 126.697 126.559 0.138 1
1 66 . 13 1 1 A 6 6 PRO HA H 6 4.370 4.709 -0.339 1
1 73 . 13 1 1 A 6 6 PRO CA C 6 62.493 62.483 0.010 1
1 74 . 13 1 1 A 6 6 PRO CB C 6 32.091 32.901 -0.810 1
1 77 . 13 1 1 A 7 7 GLN H H 7 9.334 8.312 1.022 1
1 78 . 13 1 1 A 7 7 GLN HA H 7 4.348 4.385 -0.037 1
1 85 . 13 1 1 A 7 7 GLN CA C 7 56.384 55.608 0.776 1
1 86 . 13 1 1 A 7 7 GLN CB C 7 28.934 28.954 -0.020 1
1 88 . 13 1 1 A 7 7 GLN N N 7 119.944 117.291 2.653 1
1 90 . 13 1 1 A 8 8 VAL H H 8 7.021 7.435 -0.414 1
1 91 . 13 1 1 A 8 8 VAL HA H 8 4.476 4.876 -0.400 1
1 99 . 13 1 1 A 8 8 VAL CA C 8 58.999 58.802 0.197 1
1 100 . 13 1 1 A 8 8 VAL CB C 8 35.347 36.179 -0.832 1
1 103 . 13 1 1 A 8 8 VAL N N 8 111.118 115.784 -4.666 1
1 104 . 13 1 1 A 9 9 SER H H 9 8.155 8.632 -0.477 1
1 105 . 13 1 1 A 9 9 SER HA H 9 4.945 5.237 -0.292 1
1 108 . 13 1 1 A 9 9 SER CA C 9 56.704 56.069 0.635 1
1 109 . 13 1 1 A 9 9 SER CB C 9 64.645 65.930 -1.285 1
1 110 . 13 1 1 A 9 9 SER N N 9 114.983 115.238 -0.255 1
1 111 . 13 1 1 A 10 10 GLY H H 10 7.981 8.337 -0.356 1
1 112 . 13 1 1 A 10 10 GLY HA2 H 10 4.416 4.017 0.399 1
1 113 . 13 1 1 A 10 10 GLY HA3 H 10 3.643 4.106 -0.463 1
1 114 . 13 1 1 A 10 10 GLY CA C 10 45.433 45.019 0.414 1
1 115 . 13 1 1 A 10 10 GLY N N 10 108.602 107.299 1.303 1
1 116 . 13 1 1 A 11 11 VAL H H 11 8.018 8.030 -0.012 1
1 117 . 13 1 1 A 11 11 VAL HA H 11 4.740 4.757 -0.017 1
1 125 . 13 1 1 A 11 11 VAL CA C 11 60.580 60.608 -0.028 1
1 126 . 13 1 1 A 11 11 VAL CB C 11 35.124 35.774 -0.650 1
1 129 . 13 1 1 A 11 11 VAL N N 11 118.346 120.498 -2.152 1
1 130 . 13 1 1 A 12 12 ILE H H 12 8.452 8.544 -0.092 1
1 131 . 13 1 1 A 12 12 ILE HA H 12 4.042 4.225 -0.183 1
1 141 . 13 1 1 A 12 12 ILE CA C 12 60.400 62.390 -1.990 1
1 142 . 13 1 1 A 12 12 ILE CB C 12 35.725 38.067 -2.342 1
1 146 . 13 1 1 A 12 12 ILE N N 12 125.267 125.719 -0.452 1
1 147 . 13 1 1 A 13 13 VAL H H 13 8.900 9.303 -0.403 1
1 148 . 13 1 1 A 13 13 VAL HA H 13 4.492 4.307 0.185 1
1 156 . 13 1 1 A 13 13 VAL CA C 13 62.168 63.347 -1.179 1
1 157 . 13 1 1 A 13 13 VAL CB C 13 33.406 33.843 -0.437 1
1 160 . 13 1 1 A 13 13 VAL N N 13 124.539 125.438 -0.899 1
1 161 . 13 1 1 A 14 14 ASN H H 14 7.649 7.482 0.167 1
1 162 . 13 1 1 A 14 14 ASN HA H 14 4.805 5.148 -0.343 1
1 167 . 13 1 1 A 14 14 ASN CA C 14 52.950 52.194 0.756 1
1 168 . 13 1 1 A 14 14 ASN CB C 14 42.149 41.930 0.219 1
1 169 . 13 1 1 A 14 14 ASN N N 14 115.008 117.041 -2.033 1
1 171 . 13 1 1 A 15 15 LYS H H 15 8.393 8.604 -0.211 1
1 172 . 13 1 1 A 15 15 LYS HA H 15 4.640 4.808 -0.168 1
1 179 . 13 1 1 A 15 15 LYS CA C 15 55.987 54.847 1.140 1
1 180 . 13 1 1 A 15 15 LYS CB C 15 35.412 33.453 1.959 1
1 183 . 13 1 1 A 15 15 LYS N N 15 123.820 121.273 2.547 1
1 184 . 13 1 1 A 16 16 LEU H H 16 8.015 8.505 -0.490 1
1 185 . 13 1 1 A 16 16 LEU HA H 16 4.983 3.990 0.993 1
1 195 . 13 1 1 A 16 16 LEU CA C 16 55.202 57.657 -2.455 1
1 196 . 13 1 1 A 16 16 LEU CB C 16 41.471 42.247 -0.776 1
1 200 . 13 1 1 A 16 16 LEU N N 16 126.200 126.293 -0.093 1
1 201 . 13 1 1 A 17 17 PHE H H 17 6.522 7.232 -0.710 1
1 202 . 13 1 1 A 17 17 PHE HA H 17 4.858 4.506 0.352 1
1 210 . 13 1 1 A 17 17 PHE CA C 17 55.675 56.073 -0.398 1
1 211 . 13 1 1 A 17 17 PHE CB C 17 41.329 41.135 0.194 1
1 212 . 13 1 1 A 17 17 PHE N N 17 113.650 116.449 -2.799 1
1 213 . 13 1 1 A 18 18 LYS H H 18 8.648 8.715 -0.067 1
1 214 . 13 1 1 A 18 18 LYS HA H 18 4.325 4.376 -0.051 1
1 223 . 13 1 1 A 18 18 LYS CA C 18 54.442 53.850 0.592 1
1 224 . 13 1 1 A 18 18 LYS CB C 18 35.233 35.629 -0.396 1
1 228 . 13 1 1 A 18 18 LYS N N 18 120.586 117.991 2.595 1
1 229 . 13 1 1 A 19 19 ALA H H 19 8.396 8.336 0.060 1
1 230 . 13 1 1 A 19 19 ALA HA H 19 3.956 4.193 -0.237 1
1 234 . 13 1 1 A 19 19 ALA CA C 19 54.151 53.906 0.245 1
1 235 . 13 1 1 A 19 19 ALA CB C 19 18.681 18.416 0.265 1
1 236 . 13 1 1 A 19 19 ALA N N 19 123.901 126.583 -2.682 1
1 237 . 13 1 1 A 20 20 GLY H H 20 8.806 8.693 0.113 1
1 238 . 13 1 1 A 20 20 GLY HA2 H 20 4.299 3.991 0.308 1
1 239 . 13 1 1 A 20 20 GLY HA3 H 20 3.523 4.018 -0.495 1
1 240 . 13 1 1 A 20 20 GLY CA C 20 45.190 45.133 0.057 1
1 241 . 13 1 1 A 20 20 GLY N N 20 112.460 111.987 0.473 1
1 242 . 13 1 1 A 21 21 ASP H H 21 7.923 8.017 -0.094 1
1 243 . 13 1 1 A 21 21 ASP HA H 21 4.489 4.815 -0.326 1
1 246 . 13 1 1 A 21 21 ASP CA C 21 55.477 52.532 2.945 1
1 247 . 13 1 1 A 21 21 ASP CB C 21 41.593 42.382 -0.789 1
1 248 . 13 1 1 A 21 21 ASP N N 21 121.531 121.837 -0.306 1
1 249 . 13 1 1 A 22 22 LYS H H 22 8.292 8.330 -0.038 1
1 250 . 13 1 1 A 22 22 LYS HA H 22 4.861 5.284 -0.423 1
1 259 . 13 1 1 A 22 22 LYS CA C 22 55.789 54.705 1.084 1
1 260 . 13 1 1 A 22 22 LYS CB C 22 31.948 36.309 -4.361 1
1 264 . 13 1 1 A 22 22 LYS N N 22 120.223 119.631 0.592 1
1 265 . 13 1 1 A 23 23 VAL H H 23 8.929 8.942 -0.013 1
1 266 . 13 1 1 A 23 23 VAL HA H 23 4.828 5.095 -0.267 1
1 274 . 13 1 1 A 23 23 VAL CA C 23 58.619 59.109 -0.490 1
1 275 . 13 1 1 A 23 23 VAL CB C 23 34.776 35.614 -0.838 1
1 278 . 13 1 1 A 23 23 VAL N N 23 117.770 118.492 -0.722 1
1 279 . 13 1 1 A 24 24 LYS H H 24 7.952 8.423 -0.471 1
1 280 . 13 1 1 A 24 24 LYS HA H 24 4.828 4.361 0.467 1
1 289 . 13 1 1 A 24 24 LYS CA C 24 53.316 55.308 -1.992 1
1 290 . 13 1 1 A 24 24 LYS CB C 24 35.370 33.742 1.628 1
1 294 . 13 1 1 A 24 24 LYS N N 24 121.890 125.303 -3.413 1
1 295 . 13 1 1 A 25 25 LYS H H 25 8.903 8.571 0.332 1
1 296 . 13 1 1 A 25 25 LYS HA H 25 3.152 4.344 -1.192 1
1 304 . 13 1 1 A 25 25 LYS CA C 25 58.780 55.966 2.814 1
1 305 . 13 1 1 A 25 25 LYS CB C 25 32.788 32.138 0.650 1
1 309 . 13 1 1 A 25 25 LYS N N 25 121.717 122.078 -0.361 1
1 310 . 13 1 1 A 26 26 GLY H H 26 8.887 8.259 0.628 1
1 311 . 13 1 1 A 26 26 GLY HA2 H 26 4.277 3.996 0.281 1
1 312 . 13 1 1 A 26 26 GLY HA3 H 26 3.462 4.036 -0.574 1
1 313 . 13 1 1 A 26 26 GLY CA C 26 45.387 45.024 0.363 1
1 314 . 13 1 1 A 26 26 GLY N N 26 115.271 106.797 8.474 1
1 315 . 13 1 1 A 27 27 GLN H H 27 8.423 8.019 0.404 1
1 316 . 13 1 1 A 27 27 GLN HA H 27 4.134 4.354 -0.220 1
1 323 . 13 1 1 A 27 27 GLN CA C 27 56.461 56.129 0.332 1
1 324 . 13 1 1 A 27 27 GLN CB C 27 30.655 29.005 1.650 1
1 326 . 13 1 1 A 27 27 GLN N N 27 123.160 119.711 3.449 1
1 328 . 13 1 1 A 28 28 THR H H 28 9.094 8.780 0.314 1
1 329 . 13 1 1 A 28 28 THR HA H 28 3.884 4.185 -0.301 1
1 334 . 13 1 1 A 28 28 THR CA C 28 66.017 64.130 1.887 1
1 335 . 13 1 1 A 28 28 THR CB C 28 68.577 69.084 -0.507 1
1 337 . 13 1 1 A 28 28 THR N N 28 124.723 117.652 7.071 1
1 338 . 13 1 1 A 29 29 LEU H H 29 9.499 9.302 0.197 1
1 339 . 13 1 1 A 29 29 LEU HA H 29 4.373 4.390 -0.017 1
1 349 . 13 1 1 A 29 29 LEU CA C 29 55.960 55.655 0.305 1
1 350 . 13 1 1 A 29 29 LEU CB C 29 44.601 43.330 1.271 1
1 354 . 13 1 1 A 29 29 LEU N N 29 125.894 127.079 -1.185 1
1 355 . 13 1 1 A 30 30 PHE H H 30 7.572 7.684 -0.112 1
1 356 . 13 1 1 A 30 30 PHE HA H 30 5.360 5.381 -0.021 1
1 364 . 13 1 1 A 30 30 PHE CA C 30 55.655 56.090 -0.435 1
1 365 . 13 1 1 A 30 30 PHE CB C 30 45.053 43.332 1.721 1
1 366 . 13 1 1 A 30 30 PHE N N 30 111.166 114.766 -3.600 1
1 367 . 13 1 1 A 31 31 ILE H H 31 7.850 8.367 -0.517 1
1 368 . 13 1 1 A 31 31 ILE HA H 31 4.808 4.916 -0.108 1
1 378 . 13 1 1 A 31 31 ILE CA C 31 60.159 59.109 1.050 1
1 379 . 13 1 1 A 31 31 ILE CB C 31 39.584 41.720 -2.136 1
1 383 . 13 1 1 A 31 31 ILE N N 31 119.419 119.682 -0.263 1
1 384 . 13 1 1 A 32 32 ILE H H 32 9.095 9.126 -0.031 1
1 385 . 13 1 1 A 32 32 ILE HA H 32 4.830 5.111 -0.281 1
1 395 . 13 1 1 A 32 32 ILE CA C 32 59.205 59.621 -0.416 1
1 396 . 13 1 1 A 32 32 ILE CB C 32 42.206 41.887 0.319 1
1 400 . 13 1 1 A 32 32 ILE N N 32 127.930 126.508 1.422 1
1 401 . 13 1 1 A 33 33 GLU H H 33 9.089 9.000 0.089 1
1 402 . 13 1 1 A 33 33 GLU HA H 33 4.674 4.986 -0.312 1
1 407 . 13 1 1 A 33 33 GLU CA C 33 55.047 54.952 0.095 1
1 408 . 13 1 1 A 33 33 GLU CB C 33 31.851 31.788 0.063 1
1 410 . 13 1 1 A 33 33 GLU N N 33 128.159 126.031 2.128 1
1 411 . 13 1 1 A 34 34 GLN H H 34 8.705 9.110 -0.405 1
1 412 . 13 1 1 A 34 34 GLN HA H 34 4.362 4.472 -0.110 1
1 419 . 13 1 1 A 34 34 GLN CA C 34 56.933 55.754 1.179 1
1 420 . 13 1 1 A 34 34 GLN CB C 34 30.273 28.553 1.720 1
1 422 . 13 1 1 A 34 34 GLN N N 34 128.144 126.195 1.949 1
1 424 . 13 1 1 A 35 35 ASP H H 35 8.488 8.331 0.157 1
1 425 . 13 1 1 A 35 35 ASP HA H 35 4.608 4.373 0.235 1
1 428 . 13 1 1 A 35 35 ASP CA C 35 54.124 54.993 -0.869 1
1 429 . 13 1 1 A 35 35 ASP CB C 35 41.702 39.301 2.401 1
1 430 . 13 1 1 A 35 35 ASP N N 35 122.441 118.662 3.779 1
1 431 . 13 1 1 A 36 36 GLN H H 36 8.604 8.429 0.175 1
1 432 . 13 1 1 A 36 36 GLN HA H 36 4.021 4.145 -0.124 1
1 439 . 13 1 1 A 36 36 GLN CA C 36 57.273 57.301 -0.028 1
1 440 . 13 1 1 A 36 36 GLN CB C 36 29.266 27.653 1.613 1
1 442 . 13 1 1 A 36 36 GLN N N 36 123.042 125.081 -2.039 1
1 444 . 13 1 1 A 37 37 ALA H H 37 8.313 7.635 0.678 1
1 445 . 13 1 1 A 37 37 ALA HA H 37 4.212 4.066 0.146 1
1 449 . 13 1 1 A 37 37 ALA CA C 37 53.708 55.183 -1.475 1
1 450 . 13 1 1 A 37 37 ALA CB C 37 18.949 18.608 0.341 1
1 451 . 13 1 1 A 37 37 ALA N N 37 122.748 125.534 -2.786 1
1 452 . 13 1 1 A 38 38 SER H H 38 7.949 8.012 -0.063 1
1 453 . 13 1 1 A 38 38 SER HA H 38 4.285 4.209 0.076 1
1 456 . 13 1 1 A 38 38 SER CA C 38 59.468 61.517 -2.049 1
1 457 . 13 1 1 A 38 38 SER CB C 38 63.874 63.076 0.798 1
1 458 . 13 1 1 A 38 38 SER N N 38 113.828 113.746 0.082 1
1 459 . 13 1 1 A 39 39 LYS H H 39 8.107 7.761 0.346 1
1 460 . 13 1 1 A 39 39 LYS HA H 39 4.124 4.155 -0.031 1
1 469 . 13 1 1 A 39 39 LYS CA C 39 57.821 59.422 -1.601 1
1 470 . 13 1 1 A 39 39 LYS CB C 39 32.978 31.986 0.992 1
1 474 . 13 1 1 A 39 39 LYS N N 39 122.900 121.970 0.930 1
1 475 . 13 1 1 A 40 40 ASP H H 40 8.173 8.016 0.157 1
1 476 . 13 1 1 A 40 40 ASP HA H 40 4.477 4.449 0.028 1
1 479 . 13 1 1 A 40 40 ASP CA C 40 55.164 56.819 -1.655 1
1 480 . 13 1 1 A 40 40 ASP CB C 40 41.359 40.985 0.374 1
1 481 . 13 1 1 A 40 40 ASP N N 40 119.696 119.479 0.217 1
1 482 . 13 1 1 A 41 41 PHE H H 41 8.022 7.918 0.104 1
1 483 . 13 1 1 A 41 41 PHE HA H 41 4.376 4.495 -0.119 1
1 488 . 13 1 1 A 41 41 PHE CA C 41 59.354 59.604 -0.250 1
1 489 . 13 1 1 A 41 41 PHE CB C 41 39.414 39.591 -0.177 1
1 490 . 13 1 1 A 41 41 PHE N N 41 121.310 120.416 0.894 1
1 491 . 13 1 1 A 42 42 ASN H H 42 8.247 8.444 -0.197 1
1 492 . 13 1 1 A 42 42 ASN HA H 42 4.483 4.449 0.034 1
1 497 . 13 1 1 A 42 42 ASN CA C 42 54.383 55.660 -1.277 1
1 498 . 13 1 1 A 42 42 ASN CB C 42 38.853 37.105 1.748 1
1 499 . 13 1 1 A 42 42 ASN N N 42 119.282 117.444 1.838 1
1 501 . 13 1 1 A 43 43 ARG H H 43 8.048 8.055 -0.007 1
1 502 . 13 1 1 A 43 43 ARG HA H 43 4.130 4.052 0.078 1
1 509 . 13 1 1 A 43 43 ARG CA C 43 57.429 59.495 -2.066 1
1 510 . 13 1 1 A 43 43 ARG CB C 43 30.503 29.819 0.684 1
1 513 . 13 1 1 A 43 43 ARG N N 43 121.050 119.320 1.730 1
1 514 . 13 1 1 A 44 44 SER H H 44 8.111 8.192 -0.081 1
1 515 . 13 1 1 A 44 44 SER HA H 44 4.262 4.138 0.124 1
1 518 . 13 1 1 A 44 44 SER CA C 44 59.660 61.373 -1.713 1
1 519 . 13 1 1 A 44 44 SER CB C 44 63.810 62.297 1.513 1
1 520 . 13 1 1 A 44 44 SER N N 44 115.587 114.416 1.171 1
1 521 . 13 1 1 A 45 45 LYS H H 45 7.968 7.981 -0.013 1
1 522 . 13 1 1 A 45 45 LYS HA H 45 4.132 4.410 -0.278 1
1 526 . 13 1 1 A 45 45 LYS CA C 45 57.193 58.375 -1.182 1
1 527 . 13 1 1 A 45 45 LYS CB C 45 32.534 32.226 0.308 1
1 529 . 13 1 1 A 45 45 LYS N N 45 122.205 121.860 0.345 1
1 530 . 13 1 1 A 46 46 ALA H H 46 7.936 7.335 0.601 1
1 531 . 13 1 1 A 46 46 ALA HA H 46 4.179 4.182 -0.003 1
1 535 . 13 1 1 A 46 46 ALA CA C 46 53.196 54.035 -0.839 1
1 536 . 13 1 1 A 46 46 ALA CB C 46 19.279 18.389 0.890 1
1 537 . 13 1 1 A 46 46 ALA N N 46 123.430 121.759 1.671 1
1 538 . 13 1 1 A 47 47 LEU H H 47 7.873 7.917 -0.044 1
1 539 . 13 1 1 A 47 47 LEU HA H 47 4.147 4.318 -0.171 1
1 549 . 13 1 1 A 47 47 LEU CA C 47 55.854 56.053 -0.199 1
1 550 . 13 1 1 A 47 47 LEU CB C 47 42.536 44.298 -1.762 1
1 554 . 13 1 1 A 47 47 LEU N N 47 119.760 116.264 3.496 1
1 555 . 13 1 1 A 48 48 PHE H H 48 7.960 8.003 -0.043 1
1 556 . 13 1 1 A 48 48 PHE HA H 48 4.540 4.780 -0.240 1
1 561 . 13 1 1 A 48 48 PHE CA C 48 58.150 56.377 1.773 1
1 562 . 13 1 1 A 48 48 PHE CB C 48 39.499 42.655 -3.156 1
1 563 . 13 1 1 A 48 48 PHE N N 48 119.481 115.736 3.745 1
1 564 . 13 1 1 A 49 49 SER H H 49 8.011 8.975 -0.964 1
1 565 . 13 1 1 A 49 49 SER HA H 49 4.333 4.242 0.091 1
1 566 . 13 1 1 A 49 49 SER CA C 49 58.675 59.215 -0.540 1
1 567 . 13 1 1 A 49 49 SER N N 49 116.263 114.966 1.297 1
1 568 . 13 1 1 A 50 50 GLN H H 50 8.252 7.998 0.254 1
1 569 . 13 1 1 A 50 50 GLN HA H 50 4.250 4.138 0.112 1
1 576 . 13 1 1 A 50 50 GLN CA C 50 56.570 57.925 -1.355 1
1 577 . 13 1 1 A 50 50 GLN CB C 50 29.372 28.829 0.543 1
1 579 . 13 1 1 A 50 50 GLN N N 50 121.890 119.833 2.057 1
1 581 . 13 1 1 A 51 51 SER H H 51 8.143 8.166 -0.023 1
1 582 . 13 1 1 A 51 51 SER HA H 51 4.332 4.209 0.123 1
1 583 . 13 1 1 A 51 51 SER CA C 51 58.848 61.578 -2.730 1
1 584 . 13 1 1 A 51 51 SER N N 51 115.677 116.090 -0.413 1
1 585 . 13 1 1 A 52 52 ALA H H 52 8.168 7.674 0.494 1
1 586 . 13 1 1 A 52 52 ALA HA H 52 4.261 4.243 0.018 1
1 590 . 13 1 1 A 52 52 ALA CA C 52 53.119 53.468 -0.349 1
1 591 . 13 1 1 A 52 52 ALA CB C 52 19.175 19.477 -0.302 1
1 592 . 13 1 1 A 52 52 ALA N N 52 125.354 122.115 3.239 1
1 593 . 13 1 1 A 53 53 ILE H H 53 7.858 8.246 -0.388 1
1 594 . 13 1 1 A 53 53 ILE HA H 53 4.094 3.808 0.286 1
1 604 . 13 1 1 A 53 53 ILE CA C 53 61.666 63.975 -2.309 1
1 605 . 13 1 1 A 53 53 ILE CB C 53 39.015 36.107 2.908 1
1 609 . 13 1 1 A 53 53 ILE N N 53 118.218 116.040 2.178 1
1 610 . 13 1 1 A 54 54 SER H H 54 8.152 8.241 -0.089 1
1 611 . 13 1 1 A 54 54 SER HA H 54 4.348 4.188 0.160 1
1 614 . 13 1 1 A 54 54 SER CA C 54 58.678 58.767 -0.089 1
1 615 . 13 1 1 A 54 54 SER CB C 54 64.002 61.766 2.236 1
1 616 . 13 1 1 A 54 54 SER N N 54 118.590 114.048 4.542 1
1 617 . 13 1 1 A 55 55 GLN H H 55 8.298 8.135 0.163 1
1 618 . 13 1 1 A 55 55 GLN HA H 55 4.198 4.095 0.103 1
1 625 . 13 1 1 A 55 55 GLN CA C 55 56.690 58.043 -1.353 1
1 626 . 13 1 1 A 55 55 GLN CB C 55 29.393 28.527 0.866 1
1 628 . 13 1 1 A 55 55 GLN N N 55 122.154 123.032 -0.878 1
1 630 . 13 1 1 A 56 56 LYS H H 56 8.153 7.938 0.215 1
1 631 . 13 1 1 A 56 56 LYS HA H 56 4.161 4.657 -0.496 1
1 636 . 13 1 1 A 56 56 LYS CA C 56 57.174 57.103 0.071 1
1 637 . 13 1 1 A 56 56 LYS CB C 56 32.991 34.135 -1.144 1
1 639 . 13 1 1 A 56 56 LYS N N 56 121.127 115.369 5.758 1
1 640 . 13 1 1 A 57 57 GLU H H 57 8.201 8.311 -0.110 1
1 641 . 13 1 1 A 57 57 GLU HA H 57 4.151 4.492 -0.341 1
1 646 . 13 1 1 A 57 57 GLU CA C 57 57.273 57.373 -0.100 1
1 647 . 13 1 1 A 57 57 GLU CB C 57 30.262 30.911 -0.649 1
1 649 . 13 1 1 A 57 57 GLU N N 57 120.626 118.322 2.304 1
1 650 . 13 1 1 A 58 58 TYR H H 58 8.057 8.318 -0.261 1
1 651 . 13 1 1 A 58 58 TYR HA H 58 4.375 4.349 0.026 1
1 658 . 13 1 1 A 58 58 TYR CA C 58 58.721 60.187 -1.466 1
1 659 . 13 1 1 A 58 58 TYR CB C 58 39.096 38.024 1.072 1
1 660 . 13 1 1 A 58 58 TYR N N 58 120.841 118.388 2.453 1
1 661 . 13 1 1 A 59 59 ASP H H 59 8.144 7.359 0.785 1
1 662 . 13 1 1 A 59 59 ASP HA H 59 4.493 4.694 -0.201 1
1 665 . 13 1 1 A 59 59 ASP CA C 59 54.505 53.394 1.111 1
1 666 . 13 1 1 A 59 59 ASP CB C 59 41.233 42.599 -1.366 1
1 667 . 13 1 1 A 59 59 ASP N N 59 122.549 119.659 2.890 1
1 668 . 13 1 1 A 60 60 SER H H 60 8.245 9.074 -0.829 1
1 669 . 13 1 1 A 60 60 SER HA H 60 4.255 4.165 0.090 1
1 670 . 13 1 1 A 60 60 SER CA C 60 59.650 60.433 -0.783 1
1 671 . 13 1 1 A 60 60 SER N N 60 117.646 122.008 -4.362 1
1 672 . 13 1 1 A 61 61 SER H H 61 8.329 7.790 0.539 1
1 673 . 13 1 1 A 61 61 SER HA H 61 4.307 4.470 -0.163 1
1 676 . 13 1 1 A 61 61 SER CA C 61 59.882 61.035 -1.153 1
1 677 . 13 1 1 A 61 61 SER CB C 61 63.888 63.730 0.158 1
1 678 . 13 1 1 A 61 61 SER N N 61 118.138 115.582 2.556 1
1 679 . 13 1 1 A 62 62 LEU H H 62 7.753 7.821 -0.068 1
1 680 . 13 1 1 A 62 62 LEU HA H 62 4.227 4.194 0.033 1
1 690 . 13 1 1 A 62 62 LEU CA C 62 55.640 56.548 -0.908 1
1 691 . 13 1 1 A 62 62 LEU CB C 62 42.389 42.651 -0.262 1
1 695 . 13 1 1 A 62 62 LEU N N 62 122.616 119.491 3.125 1
1 696 . 13 1 1 A 63 63 ALA H H 63 7.908 7.020 0.888 1
1 697 . 13 1 1 A 63 63 ALA HA H 63 4.266 4.781 -0.515 1
1 701 . 13 1 1 A 63 63 ALA CA C 63 53.071 50.638 2.433 1
1 702 . 13 1 1 A 63 63 ALA CB C 63 19.373 22.913 -3.540 1
1 703 . 13 1 1 A 63 63 ALA N N 63 123.326 117.672 5.654 1
1 704 . 13 1 1 A 64 64 THR H H 64 7.855 8.470 -0.615 1
1 705 . 13 1 1 A 64 64 THR HA H 64 4.212 4.498 -0.286 1
1 710 . 13 1 1 A 64 64 THR CA C 64 61.955 61.001 0.954 1
1 711 . 13 1 1 A 64 64 THR CB C 64 69.997 70.259 -0.262 1
1 713 . 13 1 1 A 64 64 THR N N 64 112.019 114.151 -2.132 1
1 714 . 13 1 1 A 65 65 LEU H H 65 7.970 8.302 -0.332 1
1 715 . 13 1 1 A 65 65 LEU HA H 65 4.290 4.212 0.078 1
1 725 . 13 1 1 A 65 65 LEU CA C 65 55.509 54.225 1.284 1
1 726 . 13 1 1 A 65 65 LEU CB C 65 42.619 40.982 1.637 1
1 730 . 13 1 1 A 65 65 LEU N N 65 123.564 121.120 2.444 1
1 731 . 13 1 1 A 66 66 ASP H H 66 8.271 8.439 -0.168 1
1 732 . 13 1 1 A 66 66 ASP HA H 66 4.538 4.280 0.258 1
1 735 . 13 1 1 A 66 66 ASP CA C 66 54.906 54.882 0.024 1
1 736 . 13 1 1 A 66 66 ASP CB C 66 41.384 38.500 2.884 1
1 737 . 13 1 1 A 66 66 ASP N N 66 120.385 117.183 3.202 1
1 738 . 13 1 1 A 67 67 HIS H H 67 8.020 7.612 0.408 1
1 739 . 13 1 1 A 67 67 HIS HA H 67 5.236 5.178 0.058 1
1 744 . 13 1 1 A 67 67 HIS CA C 67 55.411 56.133 -0.722 1
1 745 . 13 1 1 A 67 67 HIS CB C 67 32.135 31.922 0.213 1
1 746 . 13 1 1 A 67 67 HIS N N 67 119.214 118.163 1.051 1
1 747 . 13 1 1 A 68 68 THR H H 68 8.903 8.947 -0.044 1
1 748 . 13 1 1 A 68 68 THR HA H 68 4.474 4.795 -0.321 1
1 753 . 13 1 1 A 68 68 THR CA C 68 62.536 61.181 1.355 1
1 754 . 13 1 1 A 68 68 THR CB C 68 71.267 72.116 -0.849 1
1 756 . 13 1 1 A 68 68 THR N N 68 117.138 115.076 2.062 1
1 757 . 13 1 1 A 69 69 GLU H H 69 8.630 8.735 -0.105 1
1 758 . 13 1 1 A 69 69 GLU HA H 69 4.480 5.003 -0.523 1
1 763 . 13 1 1 A 69 69 GLU CA C 69 56.016 55.907 0.109 1
1 764 . 13 1 1 A 69 69 GLU CB C 69 31.824 32.011 -0.187 1
1 766 . 13 1 1 A 69 69 GLU N N 69 124.226 124.088 0.138 1
1 767 . 13 1 1 A 70 70 ILE H H 70 8.589 8.801 -0.212 1
1 768 . 13 1 1 A 70 70 ILE HA H 70 4.405 4.969 -0.564 1
1 778 . 13 1 1 A 70 70 ILE CA C 70 59.367 59.843 -0.476 1
1 779 . 13 1 1 A 70 70 ILE CB C 70 37.492 40.948 -3.456 1
1 783 . 13 1 1 A 70 70 ILE N N 70 123.526 121.296 2.230 1
1 784 . 13 1 1 A 71 71 LYS H H 71 8.910 8.955 -0.045 1
1 785 . 13 1 1 A 71 71 LYS HA H 71 5.070 4.910 0.160 1
1 790 . 13 1 1 A 71 71 LYS CA C 71 54.732 54.396 0.336 1
1 791 . 13 1 1 A 71 71 LYS CB C 71 36.388 36.133 0.255 1
1 793 . 13 1 1 A 71 71 LYS N N 71 128.313 124.459 3.854 1
1 794 . 13 1 1 A 72 72 ALA H H 72 8.623 8.981 -0.358 1
1 795 . 13 1 1 A 72 72 ALA HA H 72 4.060 4.362 -0.302 1
1 799 . 13 1 1 A 72 72 ALA CA C 72 50.119 50.828 -0.709 1
1 800 . 13 1 1 A 72 72 ALA CB C 72 17.261 18.220 -0.959 1
1 801 . 13 1 1 A 72 72 ALA N N 72 123.091 122.593 0.498 1
1 802 . 13 1 1 A 73 73 PRO HA H 73 4.328 4.425 -0.097 1
1 809 . 13 1 1 A 73 73 PRO CA C 73 63.731 64.328 -0.597 1
1 810 . 13 1 1 A 73 73 PRO CB C 73 32.196 31.957 0.239 1
1 813 . 13 1 1 A 74 74 PHE H H 74 6.758 6.899 -0.141 1
1 814 . 13 1 1 A 74 74 PHE HA H 74 4.414 4.927 -0.513 1
1 821 . 13 1 1 A 74 74 PHE CA C 74 54.539 56.086 -1.547 1
1 822 . 13 1 1 A 74 74 PHE CB C 74 40.862 40.541 0.321 1
1 823 . 13 1 1 A 74 74 PHE N N 74 112.045 112.347 -0.302 1
1 824 . 13 1 1 A 75 75 ASP H H 75 8.563 8.800 -0.237 1
1 825 . 13 1 1 A 75 75 ASP HA H 75 4.915 4.930 -0.015 1
1 828 . 13 1 1 A 75 75 ASP CA C 75 54.108 54.566 -0.458 1
1 829 . 13 1 1 A 75 75 ASP CB C 75 41.011 41.111 -0.100 1
1 830 . 13 1 1 A 75 75 ASP N N 75 118.284 119.945 -1.661 1
1 831 . 13 1 1 A 76 76 GLY H H 76 8.340 8.275 0.065 1
1 832 . 13 1 1 A 76 76 GLY HA2 H 76 4.228 4.337 -0.109 1
1 833 . 13 1 1 A 76 76 GLY HA3 H 76 4.070 4.383 -0.313 1
1 834 . 13 1 1 A 76 76 GLY CA C 76 46.761 46.262 0.499 1
1 835 . 13 1 1 A 76 76 GLY N N 76 108.739 107.376 1.363 1
1 836 . 13 1 1 A 77 77 THR H H 77 8.607 9.025 -0.418 1
1 837 . 13 1 1 A 77 77 THR HA H 77 4.966 5.162 -0.196 1
1 842 . 13 1 1 A 77 77 THR CA C 77 61.891 61.486 0.405 1
1 843 . 13 1 1 A 77 77 THR CB C 77 70.413 71.303 -0.890 1
1 845 . 13 1 1 A 77 77 THR N N 77 116.423 116.268 0.155 1
1 846 . 13 1 1 A 78 78 ILE H H 78 8.815 8.733 0.082 1
1 847 . 13 1 1 A 78 78 ILE HA H 78 4.656 4.940 -0.284 1
1 857 . 13 1 1 A 78 78 ILE CA C 78 60.214 59.648 0.566 1
1 858 . 13 1 1 A 78 78 ILE CB C 78 43.110 41.855 1.255 1
1 862 . 13 1 1 A 78 78 ILE N N 78 129.313 122.701 6.612 1
1 863 . 13 1 1 A 79 79 GLY H H 79 8.052 8.982 -0.930 1
1 864 . 13 1 1 A 79 79 GLY HA2 H 79 4.394 4.156 0.238 1
1 865 . 13 1 1 A 79 79 GLY HA3 H 79 3.765 4.159 -0.394 1
1 866 . 13 1 1 A 79 79 GLY CA C 79 44.297 44.323 -0.026 1
1 867 . 13 1 1 A 79 79 GLY N N 79 114.522 116.481 -1.959 1
1 868 . 13 1 1 A 80 80 ASP H H 80 7.792 8.562 -0.770 1
1 869 . 13 1 1 A 80 80 ASP HA H 80 4.706 4.552 0.154 1
1 872 . 13 1 1 A 80 80 ASP CA C 80 53.784 54.643 -0.859 1
1 873 . 13 1 1 A 80 80 ASP CB C 80 42.062 40.932 1.130 1
1 874 . 13 1 1 A 80 80 ASP N N 80 113.706 118.524 -4.818 1
1 875 . 13 1 1 A 81 81 ALA H H 81 8.552 8.668 -0.116 1
1 876 . 13 1 1 A 81 81 ALA HA H 81 4.567 4.695 -0.128 1
1 880 . 13 1 1 A 81 81 ALA CA C 81 53.345 53.021 0.324 1
1 881 . 13 1 1 A 81 81 ALA CB C 81 20.325 19.235 1.090 1
1 882 . 13 1 1 A 81 81 ALA N N 81 124.168 126.327 -2.159 1
1 883 . 13 1 1 A 82 82 LEU H H 82 8.734 9.410 -0.676 1
1 884 . 13 1 1 A 82 82 LEU HA H 82 4.338 4.758 -0.420 1
1 893 . 13 1 1 A 82 82 LEU CA C 82 55.320 54.517 0.803 1
1 894 . 13 1 1 A 82 82 LEU CB C 82 41.616 43.498 -1.882 1
1 897 . 13 1 1 A 82 82 LEU N N 82 121.830 121.919 -0.089 1
1 898 . 13 1 1 A 83 83 VAL H H 83 7.136 7.647 -0.511 1
1 899 . 13 1 1 A 83 83 VAL HA H 83 4.489 4.893 -0.404 1
1 907 . 13 1 1 A 83 83 VAL CA C 83 58.552 58.839 -0.287 1
1 908 . 13 1 1 A 83 83 VAL CB C 83 35.418 36.040 -0.622 1
1 911 . 13 1 1 A 83 83 VAL N N 83 108.193 114.148 -5.955 1
1 912 . 13 1 1 A 84 84 ASN H H 84 9.073 8.913 0.160 1
1 913 . 13 1 1 A 84 84 ASN HA H 84 4.872 5.292 -0.420 1
1 918 . 13 1 1 A 84 84 ASN CA C 84 51.417 51.387 0.030 1
1 919 . 13 1 1 A 84 84 ASN CB C 84 42.127 42.903 -0.776 1
1 920 . 13 1 1 A 84 84 ASN N N 84 119.533 119.489 0.044 1
1 922 . 13 1 1 A 85 85 ILE H H 85 8.390 8.524 -0.134 1
1 923 . 13 1 1 A 85 85 ILE HA H 85 3.384 3.733 -0.349 1
1 933 . 13 1 1 A 85 85 ILE CA C 85 63.985 63.937 0.048 1
1 934 . 13 1 1 A 85 85 ILE CB C 85 37.368 37.240 0.128 1
1 938 . 13 1 1 A 85 85 ILE N N 85 119.414 122.417 -3.003 1
1 939 . 13 1 1 A 86 86 GLY H H 86 9.229 8.478 0.751 1
1 940 . 13 1 1 A 86 86 GLY HA2 H 86 4.392 4.062 0.330 1
1 941 . 13 1 1 A 86 86 GLY HA3 H 86 3.412 4.066 -0.654 1
1 942 . 13 1 1 A 86 86 GLY CA C 86 44.946 44.956 -0.010 1
1 943 . 13 1 1 A 86 86 GLY N N 86 117.337 115.487 1.850 1
1 944 . 13 1 1 A 87 87 ASP H H 87 7.956 8.436 -0.480 1
1 945 . 13 1 1 A 87 87 ASP HA H 87 4.599 4.683 -0.084 1
1 948 . 13 1 1 A 87 87 ASP CA C 87 55.055 54.885 0.170 1
1 949 . 13 1 1 A 87 87 ASP CB C 87 40.978 41.310 -0.332 1
1 950 . 13 1 1 A 87 87 ASP N N 87 121.511 121.986 -0.475 1
1 951 . 13 1 1 A 88 88 TYR H H 88 8.545 8.846 -0.301 1
1 952 . 13 1 1 A 88 88 TYR HA H 88 4.718 4.724 -0.006 1
1 959 . 13 1 1 A 88 88 TYR CA C 88 57.954 57.397 0.557 1
1 960 . 13 1 1 A 88 88 TYR CB C 88 39.411 38.414 0.997 1
1 961 . 13 1 1 A 88 88 TYR N N 88 122.327 125.948 -3.621 1
1 962 . 13 1 1 A 89 89 VAL H H 89 8.937 8.382 0.555 1
1 963 . 13 1 1 A 89 89 VAL HA H 89 4.565 4.841 -0.276 1
1 971 . 13 1 1 A 89 89 VAL CA C 89 58.580 59.607 -1.027 1
1 972 . 13 1 1 A 89 89 VAL CB C 89 34.504 33.927 0.577 1
1 975 . 13 1 1 A 89 89 VAL N N 89 121.838 122.744 -0.906 1
1 976 . 13 1 1 A 90 90 SER H H 90 8.761 8.615 0.146 1
1 977 . 13 1 1 A 90 90 SER HA H 90 4.562 5.155 -0.593 1
1 980 . 13 1 1 A 90 90 SER CA C 90 56.974 56.034 0.940 1
1 981 . 13 1 1 A 90 90 SER CB C 90 65.027 65.636 -0.609 1
1 982 . 13 1 1 A 90 90 SER N N 90 114.806 117.849 -3.043 1
1 983 . 13 1 1 A 91 91 ALA H H 91 8.692 8.936 -0.244 1
1 984 . 13 1 1 A 91 91 ALA HA H 91 3.505 3.975 -0.470 1
1 988 . 13 1 1 A 91 91 ALA CA C 91 53.471 55.833 -2.362 1
1 989 . 13 1 1 A 91 91 ALA CB C 91 18.719 18.847 -0.128 1
1 990 . 13 1 1 A 91 91 ALA N N 91 129.873 130.459 -0.586 1
1 991 . 13 1 1 A 92 92 SER H H 92 9.156 8.047 1.109 1
1 992 . 13 1 1 A 92 92 SER HA H 92 3.804 4.409 -0.605 1
1 995 . 13 1 1 A 92 92 SER CA C 92 60.827 59.339 1.488 1
1 996 . 13 1 1 A 92 92 SER CB C 92 62.630 63.916 -1.286 1
1 997 . 13 1 1 A 92 92 SER N N 92 113.297 112.397 0.900 1
1 998 . 13 1 1 A 93 93 THR H H 93 7.806 7.682 0.124 1
1 999 . 13 1 1 A 93 93 THR HA H 93 4.387 4.416 -0.029 1
1 1004 . 13 1 1 A 93 93 THR CA C 93 64.607 63.245 1.362 1
1 1005 . 13 1 1 A 93 93 THR CB C 93 71.127 69.668 1.459 1
1 1007 . 13 1 1 A 93 93 THR N N 93 113.896 114.699 -0.803 1
1 1008 . 13 1 1 A 94 94 THR H H 94 7.691 7.360 0.331 1
1 1009 . 13 1 1 A 94 94 THR HA H 94 3.899 4.954 -1.055 1
1 1014 . 13 1 1 A 94 94 THR CA C 94 65.258 61.580 3.678 1
1 1015 . 13 1 1 A 94 94 THR CB C 94 70.283 71.381 -1.098 1
1 1017 . 13 1 1 A 94 94 THR N N 94 119.603 115.255 4.348 1
1 1018 . 13 1 1 A 95 95 GLU H H 95 8.389 8.922 -0.533 1
1 1019 . 13 1 1 A 95 95 GLU HA H 95 3.793 4.702 -0.909 1
1 1024 . 13 1 1 A 95 95 GLU CA C 95 56.783 55.346 1.437 1
1 1025 . 13 1 1 A 95 95 GLU CB C 95 29.777 31.339 -1.562 1
1 1027 . 13 1 1 A 95 95 GLU N N 95 124.816 126.550 -1.734 1
1 1028 . 13 1 1 A 96 96 LEU H H 96 8.735 8.932 -0.197 1
1 1029 . 13 1 1 A 96 96 LEU HA H 96 4.249 4.229 0.020 1
1 1039 . 13 1 1 A 96 96 LEU CA C 96 57.071 55.852 1.219 1
1 1040 . 13 1 1 A 96 96 LEU CB C 96 43.517 41.941 1.576 1
1 1044 . 13 1 1 A 96 96 LEU N N 96 120.104 126.595 -6.491 1
1 1045 . 13 1 1 A 97 97 VAL H H 97 7.049 7.307 -0.258 1
1 1046 . 13 1 1 A 97 97 VAL HA H 97 4.334 4.361 -0.027 1
1 1054 . 13 1 1 A 97 97 VAL CA C 97 61.411 60.889 0.522 1
1 1055 . 13 1 1 A 97 97 VAL CB C 97 31.724 34.237 -2.513 1
1 1058 . 13 1 1 A 97 97 VAL N N 97 112.399 114.124 -1.725 1
1 1059 . 13 1 1 A 98 98 ARG H H 98 8.968 8.582 0.386 1
1 1060 . 13 1 1 A 98 98 ARG HA H 98 5.255 5.272 -0.017 1
1 1067 . 13 1 1 A 98 98 ARG CA C 98 55.391 54.767 0.624 1
1 1068 . 13 1 1 A 98 98 ARG CB C 98 32.925 32.985 -0.060 1
1 1071 . 13 1 1 A 98 98 ARG N N 98 127.489 121.983 5.506 1
1 1072 . 13 1 1 A 99 99 VAL H H 99 8.884 8.780 0.104 1
1 1073 . 13 1 1 A 99 99 VAL HA H 99 4.554 4.861 -0.307 1
1 1078 . 13 1 1 A 99 99 VAL CA C 99 60.996 61.188 -0.192 1
1 1079 . 13 1 1 A 99 99 VAL CB C 99 34.358 33.974 0.384 1
1 1081 . 13 1 1 A 99 99 VAL N N 99 122.863 123.275 -0.412 1
1 1082 . 13 1 1 A 100 100 THR H H 100 8.823 9.227 -0.404 1
1 1083 . 13 1 1 A 100 100 THR HA H 100 4.552 4.996 -0.444 1
1 1088 . 13 1 1 A 100 100 THR CA C 100 61.105 60.711 0.394 1
1 1089 . 13 1 1 A 100 100 THR CB C 100 70.859 71.456 -0.597 1
1 1091 . 13 1 1 A 100 100 THR N N 100 121.813 121.956 -0.143 1
1 1092 . 13 1 1 A 101 101 ASN H H 101 8.146 8.916 -0.770 1
1 1093 . 13 1 1 A 101 101 ASN HA H 101 4.505 4.982 -0.477 1
1 1098 . 13 1 1 A 101 101 ASN CA C 101 54.283 53.747 0.536 1
1 1099 . 13 1 1 A 101 101 ASN CB C 101 38.631 39.884 -1.253 1
1 1100 . 13 1 1 A 101 101 ASN N N 101 122.582 127.790 -5.208 1
1 1102 . 13 1 1 A 102 102 LEU H H 102 8.154 8.861 -0.707 1
1 1103 . 13 1 1 A 102 102 LEU HA H 102 4.236 4.169 0.067 1
1 1113 . 13 1 1 A 102 102 LEU CA C 102 55.618 57.661 -2.043 1
1 1114 . 13 1 1 A 102 102 LEU CB C 102 42.842 42.614 0.228 1
1 1118 . 13 1 1 A 102 102 LEU N N 102 122.572 127.590 -5.018 1
1 1119 . 13 1 1 A 103 103 ASN H H 103 8.393 8.152 0.241 1
1 1120 . 13 1 1 A 103 103 ASN HA H 103 4.862 5.050 -0.188 1
1 1125 . 13 1 1 A 103 103 ASN CA C 103 51.431 49.625 1.806 1
1 1126 . 13 1 1 A 103 103 ASN CB C 103 39.172 40.542 -1.370 1
1 1127 . 13 1 1 A 103 103 ASN N N 103 120.155 115.137 5.018 1
1 1129 . 13 1 1 A 104 104 PRO HA H 104 4.224 4.398 -0.174 1
1 1136 . 13 1 1 A 104 104 PRO CA C 104 63.636 63.677 -0.041 1
1 1137 . 13 1 1 A 104 104 PRO CB C 104 32.301 32.751 -0.450 1
1 1140 . 13 1 1 A 105 105 ILE H H 105 7.870 7.693 0.177 1
1 1141 . 13 1 1 A 105 105 ILE HA H 105 3.934 3.983 -0.049 1
1 1151 . 13 1 1 A 105 105 ILE CA C 105 61.566 61.070 0.496 1
1 1152 . 13 1 1 A 105 105 ILE CB C 105 38.723 37.170 1.553 1
1 1156 . 13 1 1 A 105 105 ILE N N 105 119.425 116.110 3.315 1
1 1157 . 13 1 1 A 106 106 TYR H H 106 7.945 7.688 0.257 1
1 1158 . 13 1 1 A 106 106 TYR HA H 106 4.529 4.733 -0.204 1
1 1165 . 13 1 1 A 106 106 TYR CA C 106 57.548 57.381 0.167 1
1 1166 . 13 1 1 A 106 106 TYR CB C 106 39.048 38.153 0.895 1
1 1167 . 13 1 1 A 106 106 TYR N N 106 123.138 121.121 2.017 1
1 1168 . 13 1 1 A 107 107 ALA H H 107 8.113 7.476 0.637 1
1 1169 . 13 1 1 A 107 107 ALA HA H 107 4.213 4.623 -0.410 1
1 1173 . 13 1 1 A 107 107 ALA CA C 107 52.847 50.817 2.030 1
1 1174 . 13 1 1 A 107 107 ALA CB C 107 19.450 22.517 -3.067 1
1 1175 . 13 1 1 A 107 107 ALA N N 107 125.476 120.361 5.115 1
1 1176 . 13 1 1 A 108 108 ASP H H 108 8.140 9.222 -1.082 1
1 1177 . 13 1 1 A 108 108 ASP HA H 108 4.502 4.411 0.091 1
1 1180 . 13 1 1 A 108 108 ASP CA C 108 54.515 55.454 -0.939 1
1 1181 . 13 1 1 A 108 108 ASP CB C 108 41.436 40.619 0.817 1
1 1182 . 13 1 1 A 108 108 ASP N N 108 119.275 119.924 -0.649 1
1 1183 . 13 1 1 A 109 109 GLY H H 109 8.304 7.690 0.614 1
1 1184 . 13 1 1 A 109 109 GLY HA2 H 109 3.930 4.110 -0.180 1
1 1185 . 13 1 1 A 109 109 GLY HA3 H 109 3.844 4.116 -0.272 1
1 1186 . 13 1 1 A 109 109 GLY CA C 109 45.809 45.671 0.138 1
1 1187 . 13 1 1 A 109 109 GLY N N 109 109.463 107.749 1.714 1
1 1188 . 13 1 1 A 110 110 SER H H 110 8.169 8.597 -0.428 1
1 1189 . 13 1 1 A 110 110 SER HA H 110 4.263 4.813 -0.550 1
1 1190 . 13 1 1 A 110 110 SER CA C 110 59.017 58.155 0.862 1
1 1191 . 13 1 1 A 110 110 SER N N 110 115.630 115.842 -0.212 1
1 1192 . 13 1 1 A 111 111 HIS HA H 111 4.522 4.869 -0.347 1
1 1195 . 13 1 1 A 111 111 HIS CA C 111 56.269 54.785 1.484 1
1 1196 . 13 1 1 A 111 111 HIS CB C 111 30.558 30.110 0.448 1
1 1197 . 13 1 1 A 112 112 HIS HA H 112 4.341 4.303 0.038 1
1 1200 . 13 1 1 A 112 112 HIS CA C 112 57.660 57.781 -0.121 1
1 2 . 14 1 1 A 2 2 VAL H H 2 8.608 8.528 0.080 1
1 3 . 14 1 1 A 2 2 VAL HA H 2 4.472 4.830 -0.358 1
1 11 . 14 1 1 A 2 2 VAL CA C 2 61.161 60.497 0.664 1
1 12 . 14 1 1 A 2 2 VAL CB C 2 35.825 35.779 0.046 1
1 15 . 14 1 1 A 2 2 VAL N N 2 117.995 117.942 0.053 1
1 16 . 14 1 1 A 3 3 ILE H H 3 8.424 8.851 -0.427 1
1 17 . 14 1 1 A 3 3 ILE HA H 3 4.489 4.602 -0.113 1
1 27 . 14 1 1 A 3 3 ILE CA C 3 60.273 60.438 -0.165 1
1 28 . 14 1 1 A 3 3 ILE CB C 3 38.595 38.494 0.101 1
1 32 . 14 1 1 A 3 3 ILE N N 3 125.647 126.924 -1.277 1
1 33 . 14 1 1 A 4 4 ILE H H 4 8.531 8.790 -0.259 1
1 34 . 14 1 1 A 4 4 ILE HA H 4 3.990 4.126 -0.136 1
1 44 . 14 1 1 A 4 4 ILE CA C 4 61.656 61.811 -0.155 1
1 45 . 14 1 1 A 4 4 ILE CB C 4 38.183 38.552 -0.369 1
1 49 . 14 1 1 A 4 4 ILE N N 4 127.472 130.275 -2.803 1
1 50 . 14 1 1 A 5 5 LYS H H 5 8.277 8.790 -0.513 1
1 51 . 14 1 1 A 5 5 LYS HA H 5 5.164 4.722 0.442 1
1 60 . 14 1 1 A 5 5 LYS CA C 5 53.440 52.914 0.526 1
1 61 . 14 1 1 A 5 5 LYS CB C 5 33.808 35.356 -1.548 1
1 65 . 14 1 1 A 5 5 LYS N N 5 126.697 126.801 -0.104 1
1 66 . 14 1 1 A 6 6 PRO HA H 6 4.370 4.722 -0.352 1
1 73 . 14 1 1 A 6 6 PRO CA C 6 62.493 62.134 0.359 1
1 74 . 14 1 1 A 6 6 PRO CB C 6 32.091 32.679 -0.588 1
1 77 . 14 1 1 A 7 7 GLN H H 7 9.334 8.342 0.992 1
1 78 . 14 1 1 A 7 7 GLN HA H 7 4.348 4.118 0.230 1
1 85 . 14 1 1 A 7 7 GLN CA C 7 56.384 56.821 -0.437 1
1 86 . 14 1 1 A 7 7 GLN CB C 7 28.934 28.521 0.413 1
1 88 . 14 1 1 A 7 7 GLN N N 7 119.944 119.327 0.617 1
1 90 . 14 1 1 A 8 8 VAL H H 8 7.021 7.346 -0.325 1
1 91 . 14 1 1 A 8 8 VAL HA H 8 4.476 4.921 -0.445 1
1 99 . 14 1 1 A 8 8 VAL CA C 8 58.999 58.852 0.147 1
1 100 . 14 1 1 A 8 8 VAL CB C 8 35.347 35.770 -0.423 1
1 103 . 14 1 1 A 8 8 VAL N N 8 111.118 115.105 -3.987 1
1 104 . 14 1 1 A 9 9 SER H H 9 8.155 8.654 -0.499 1
1 105 . 14 1 1 A 9 9 SER HA H 9 4.945 4.931 0.014 1
1 108 . 14 1 1 A 9 9 SER CA C 9 56.704 56.950 -0.246 1
1 109 . 14 1 1 A 9 9 SER CB C 9 64.645 65.385 -0.740 1
1 110 . 14 1 1 A 9 9 SER N N 9 114.983 116.212 -1.229 1
1 111 . 14 1 1 A 10 10 GLY H H 10 7.981 8.193 -0.212 1
1 112 . 14 1 1 A 10 10 GLY HA2 H 10 4.416 4.020 0.396 1
1 113 . 14 1 1 A 10 10 GLY HA3 H 10 3.643 4.087 -0.444 1
1 114 . 14 1 1 A 10 10 GLY CA C 10 45.433 44.417 1.016 1
1 115 . 14 1 1 A 10 10 GLY N N 10 108.602 107.430 1.172 1
1 116 . 14 1 1 A 11 11 VAL H H 11 8.018 7.982 0.036 1
1 117 . 14 1 1 A 11 11 VAL HA H 11 4.740 4.670 0.070 1
1 125 . 14 1 1 A 11 11 VAL CA C 11 60.580 60.443 0.137 1
1 126 . 14 1 1 A 11 11 VAL CB C 11 35.124 35.719 -0.595 1
1 129 . 14 1 1 A 11 11 VAL N N 11 118.346 120.148 -1.802 1
1 130 . 14 1 1 A 12 12 ILE H H 12 8.452 8.607 -0.155 1
1 131 . 14 1 1 A 12 12 ILE HA H 12 4.042 4.227 -0.185 1
1 141 . 14 1 1 A 12 12 ILE CA C 12 60.400 62.360 -1.960 1
1 142 . 14 1 1 A 12 12 ILE CB C 12 35.725 38.136 -2.411 1
1 146 . 14 1 1 A 12 12 ILE N N 12 125.267 125.840 -0.573 1
1 147 . 14 1 1 A 13 13 VAL H H 13 8.900 9.275 -0.375 1
1 148 . 14 1 1 A 13 13 VAL HA H 13 4.492 4.310 0.182 1
1 156 . 14 1 1 A 13 13 VAL CA C 13 62.168 63.355 -1.187 1
1 157 . 14 1 1 A 13 13 VAL CB C 13 33.406 33.770 -0.364 1
1 160 . 14 1 1 A 13 13 VAL N N 13 124.539 125.900 -1.361 1
1 161 . 14 1 1 A 14 14 ASN H H 14 7.649 7.423 0.226 1
1 162 . 14 1 1 A 14 14 ASN HA H 14 4.805 5.218 -0.413 1
1 167 . 14 1 1 A 14 14 ASN CA C 14 52.950 52.289 0.661 1
1 168 . 14 1 1 A 14 14 ASN CB C 14 42.149 42.051 0.098 1
1 169 . 14 1 1 A 14 14 ASN N N 14 115.008 116.845 -1.837 1
1 171 . 14 1 1 A 15 15 LYS H H 15 8.393 8.563 -0.170 1
1 172 . 14 1 1 A 15 15 LYS HA H 15 4.640 4.657 -0.017 1
1 179 . 14 1 1 A 15 15 LYS CA C 15 55.987 54.860 1.127 1
1 180 . 14 1 1 A 15 15 LYS CB C 15 35.412 33.258 2.154 1
1 183 . 14 1 1 A 15 15 LYS N N 15 123.820 122.369 1.451 1
1 184 . 14 1 1 A 16 16 LEU H H 16 8.015 8.477 -0.462 1
1 185 . 14 1 1 A 16 16 LEU HA H 16 4.983 3.929 1.054 1
1 195 . 14 1 1 A 16 16 LEU CA C 16 55.202 57.673 -2.471 1
1 196 . 14 1 1 A 16 16 LEU CB C 16 41.471 42.044 -0.573 1
1 200 . 14 1 1 A 16 16 LEU N N 16 126.200 126.339 -0.139 1
1 201 . 14 1 1 A 17 17 PHE H H 17 6.522 7.219 -0.697 1
1 202 . 14 1 1 A 17 17 PHE HA H 17 4.858 4.547 0.311 1
1 210 . 14 1 1 A 17 17 PHE CA C 17 55.675 55.960 -0.285 1
1 211 . 14 1 1 A 17 17 PHE CB C 17 41.329 41.079 0.250 1
1 212 . 14 1 1 A 17 17 PHE N N 17 113.650 116.253 -2.603 1
1 213 . 14 1 1 A 18 18 LYS H H 18 8.648 8.772 -0.124 1
1 214 . 14 1 1 A 18 18 LYS HA H 18 4.325 4.375 -0.050 1
1 223 . 14 1 1 A 18 18 LYS CA C 18 54.442 53.957 0.485 1
1 224 . 14 1 1 A 18 18 LYS CB C 18 35.233 35.691 -0.458 1
1 228 . 14 1 1 A 18 18 LYS N N 18 120.586 117.999 2.587 1
1 229 . 14 1 1 A 19 19 ALA H H 19 8.396 8.377 0.019 1
1 230 . 14 1 1 A 19 19 ALA HA H 19 3.956 4.254 -0.298 1
1 234 . 14 1 1 A 19 19 ALA CA C 19 54.151 53.925 0.226 1
1 235 . 14 1 1 A 19 19 ALA CB C 19 18.681 18.429 0.252 1
1 236 . 14 1 1 A 19 19 ALA N N 19 123.901 126.165 -2.264 1
1 237 . 14 1 1 A 20 20 GLY H H 20 8.806 8.913 -0.107 1
1 238 . 14 1 1 A 20 20 GLY HA2 H 20 4.299 3.985 0.314 1
1 239 . 14 1 1 A 20 20 GLY HA3 H 20 3.523 4.011 -0.488 1
1 240 . 14 1 1 A 20 20 GLY CA C 20 45.190 45.038 0.152 1
1 241 . 14 1 1 A 20 20 GLY N N 20 112.460 111.644 0.816 1
1 242 . 14 1 1 A 21 21 ASP H H 21 7.923 8.250 -0.327 1
1 243 . 14 1 1 A 21 21 ASP HA H 21 4.489 4.704 -0.215 1
1 246 . 14 1 1 A 21 21 ASP CA C 21 55.477 54.017 1.460 1
1 247 . 14 1 1 A 21 21 ASP CB C 21 41.593 42.260 -0.667 1
1 248 . 14 1 1 A 21 21 ASP N N 21 121.531 122.315 -0.784 1
1 249 . 14 1 1 A 22 22 LYS H H 22 8.292 8.562 -0.270 1
1 250 . 14 1 1 A 22 22 LYS HA H 22 4.861 4.899 -0.038 1
1 259 . 14 1 1 A 22 22 LYS CA C 22 55.789 55.579 0.210 1
1 260 . 14 1 1 A 22 22 LYS CB C 22 31.948 34.624 -2.676 1
1 264 . 14 1 1 A 22 22 LYS N N 22 120.223 122.400 -2.177 1
1 265 . 14 1 1 A 23 23 VAL H H 23 8.929 9.001 -0.072 1
1 266 . 14 1 1 A 23 23 VAL HA H 23 4.828 4.806 0.022 1
1 274 . 14 1 1 A 23 23 VAL CA C 23 58.619 59.539 -0.920 1
1 275 . 14 1 1 A 23 23 VAL CB C 23 34.776 35.317 -0.541 1
1 278 . 14 1 1 A 23 23 VAL N N 23 117.770 118.773 -1.003 1
1 279 . 14 1 1 A 24 24 LYS H H 24 7.952 8.457 -0.505 1
1 280 . 14 1 1 A 24 24 LYS HA H 24 4.828 4.526 0.302 1
1 289 . 14 1 1 A 24 24 LYS CA C 24 53.316 55.620 -2.304 1
1 290 . 14 1 1 A 24 24 LYS CB C 24 35.370 33.468 1.902 1
1 294 . 14 1 1 A 24 24 LYS N N 24 121.890 125.842 -3.952 1
1 295 . 14 1 1 A 25 25 LYS H H 25 8.903 8.668 0.235 1
1 296 . 14 1 1 A 25 25 LYS HA H 25 3.152 4.424 -1.272 1
1 304 . 14 1 1 A 25 25 LYS CA C 25 58.780 56.161 2.619 1
1 305 . 14 1 1 A 25 25 LYS CB C 25 32.788 31.622 1.166 1
1 309 . 14 1 1 A 25 25 LYS N N 25 121.717 122.904 -1.187 1
1 310 . 14 1 1 A 26 26 GLY H H 26 8.887 8.416 0.471 1
1 311 . 14 1 1 A 26 26 GLY HA2 H 26 4.277 4.012 0.265 1
1 312 . 14 1 1 A 26 26 GLY HA3 H 26 3.462 4.045 -0.583 1
1 313 . 14 1 1 A 26 26 GLY CA C 26 45.387 44.951 0.436 1
1 314 . 14 1 1 A 26 26 GLY N N 26 115.271 106.980 8.291 1
1 315 . 14 1 1 A 27 27 GLN H H 27 8.423 7.678 0.745 1
1 316 . 14 1 1 A 27 27 GLN HA H 27 4.134 4.347 -0.213 1
1 323 . 14 1 1 A 27 27 GLN CA C 27 56.461 56.156 0.305 1
1 324 . 14 1 1 A 27 27 GLN CB C 27 30.655 28.991 1.664 1
1 326 . 14 1 1 A 27 27 GLN N N 27 123.160 120.032 3.128 1
1 328 . 14 1 1 A 28 28 THR H H 28 9.094 8.800 0.294 1
1 329 . 14 1 1 A 28 28 THR HA H 28 3.884 4.201 -0.317 1
1 334 . 14 1 1 A 28 28 THR CA C 28 66.017 64.129 1.888 1
1 335 . 14 1 1 A 28 28 THR CB C 28 68.577 69.210 -0.633 1
1 337 . 14 1 1 A 28 28 THR N N 28 124.723 117.950 6.773 1
1 338 . 14 1 1 A 29 29 LEU H H 29 9.499 9.343 0.156 1
1 339 . 14 1 1 A 29 29 LEU HA H 29 4.373 4.441 -0.068 1
1 349 . 14 1 1 A 29 29 LEU CA C 29 55.960 55.722 0.238 1
1 350 . 14 1 1 A 29 29 LEU CB C 29 44.601 43.418 1.183 1
1 354 . 14 1 1 A 29 29 LEU N N 29 125.894 127.083 -1.189 1
1 355 . 14 1 1 A 30 30 PHE H H 30 7.572 7.653 -0.081 1
1 356 . 14 1 1 A 30 30 PHE HA H 30 5.360 5.427 -0.067 1
1 364 . 14 1 1 A 30 30 PHE CA C 30 55.655 56.004 -0.349 1
1 365 . 14 1 1 A 30 30 PHE CB C 30 45.053 43.206 1.847 1
1 366 . 14 1 1 A 30 30 PHE N N 30 111.166 114.751 -3.585 1
1 367 . 14 1 1 A 31 31 ILE H H 31 7.850 8.409 -0.559 1
1 368 . 14 1 1 A 31 31 ILE HA H 31 4.808 4.950 -0.142 1
1 378 . 14 1 1 A 31 31 ILE CA C 31 60.159 59.051 1.108 1
1 379 . 14 1 1 A 31 31 ILE CB C 31 39.584 41.714 -2.130 1
1 383 . 14 1 1 A 31 31 ILE N N 31 119.419 119.608 -0.189 1
1 384 . 14 1 1 A 32 32 ILE H H 32 9.095 9.066 0.029 1
1 385 . 14 1 1 A 32 32 ILE HA H 32 4.830 5.320 -0.490 1
1 395 . 14 1 1 A 32 32 ILE CA C 32 59.205 59.634 -0.429 1
1 396 . 14 1 1 A 32 32 ILE CB C 32 42.206 41.550 0.656 1
1 400 . 14 1 1 A 32 32 ILE N N 32 127.930 126.305 1.625 1
1 401 . 14 1 1 A 33 33 GLU H H 33 9.089 8.885 0.204 1
1 402 . 14 1 1 A 33 33 GLU HA H 33 4.674 4.998 -0.324 1
1 407 . 14 1 1 A 33 33 GLU CA C 33 55.047 54.891 0.156 1
1 408 . 14 1 1 A 33 33 GLU CB C 33 31.851 31.444 0.407 1
1 410 . 14 1 1 A 33 33 GLU N N 33 128.159 124.999 3.160 1
1 411 . 14 1 1 A 34 34 GLN H H 34 8.705 8.702 0.003 1
1 412 . 14 1 1 A 34 34 GLN HA H 34 4.362 4.177 0.185 1
1 419 . 14 1 1 A 34 34 GLN CA C 34 56.933 58.233 -1.300 1
1 420 . 14 1 1 A 34 34 GLN CB C 34 30.273 29.111 1.162 1
1 422 . 14 1 1 A 34 34 GLN N N 34 128.144 126.218 1.926 1
1 424 . 14 1 1 A 35 35 ASP H H 35 8.488 7.675 0.813 1
1 425 . 14 1 1 A 35 35 ASP HA H 35 4.608 4.829 -0.221 1
1 428 . 14 1 1 A 35 35 ASP CA C 35 54.124 53.206 0.918 1
1 429 . 14 1 1 A 35 35 ASP CB C 35 41.702 42.751 -1.049 1
1 430 . 14 1 1 A 35 35 ASP N N 35 122.441 114.375 8.066 1
1 431 . 14 1 1 A 36 36 GLN H H 36 8.604 8.140 0.464 1
1 432 . 14 1 1 A 36 36 GLN HA H 36 4.021 4.065 -0.044 1
1 439 . 14 1 1 A 36 36 GLN CA C 36 57.273 56.970 0.303 1
1 440 . 14 1 1 A 36 36 GLN CB C 36 29.266 26.535 2.731 1
1 442 . 14 1 1 A 36 36 GLN N N 36 123.042 118.815 4.227 1
1 444 . 14 1 1 A 37 37 ALA H H 37 8.313 8.069 0.244 1
1 445 . 14 1 1 A 37 37 ALA HA H 37 4.212 4.161 0.051 1
1 449 . 14 1 1 A 37 37 ALA CA C 37 53.708 55.242 -1.534 1
1 450 . 14 1 1 A 37 37 ALA CB C 37 18.949 18.255 0.694 1
1 451 . 14 1 1 A 37 37 ALA N N 37 122.748 124.452 -1.704 1
1 452 . 14 1 1 A 38 38 SER H H 38 7.949 7.993 -0.044 1
1 453 . 14 1 1 A 38 38 SER HA H 38 4.285 4.299 -0.014 1
1 456 . 14 1 1 A 38 38 SER CA C 38 59.468 61.072 -1.604 1
1 457 . 14 1 1 A 38 38 SER CB C 38 63.874 63.091 0.783 1
1 458 . 14 1 1 A 38 38 SER N N 38 113.828 113.741 0.087 1
1 459 . 14 1 1 A 39 39 LYS H H 39 8.107 8.139 -0.032 1
1 460 . 14 1 1 A 39 39 LYS HA H 39 4.124 3.950 0.174 1
1 469 . 14 1 1 A 39 39 LYS CA C 39 57.821 59.735 -1.914 1
1 470 . 14 1 1 A 39 39 LYS CB C 39 32.978 32.033 0.945 1
1 474 . 14 1 1 A 39 39 LYS N N 39 122.900 123.038 -0.138 1
1 475 . 14 1 1 A 40 40 ASP H H 40 8.173 7.895 0.278 1
1 476 . 14 1 1 A 40 40 ASP HA H 40 4.477 4.504 -0.027 1
1 479 . 14 1 1 A 40 40 ASP CA C 40 55.164 56.664 -1.500 1
1 480 . 14 1 1 A 40 40 ASP CB C 40 41.359 40.650 0.709 1
1 481 . 14 1 1 A 40 40 ASP N N 40 119.696 119.710 -0.014 1
1 482 . 14 1 1 A 41 41 PHE H H 41 8.022 8.091 -0.069 1
1 483 . 14 1 1 A 41 41 PHE HA H 41 4.376 4.435 -0.059 1
1 488 . 14 1 1 A 41 41 PHE CA C 41 59.354 60.434 -1.080 1
1 489 . 14 1 1 A 41 41 PHE CB C 41 39.414 40.150 -0.736 1
1 490 . 14 1 1 A 41 41 PHE N N 41 121.310 120.591 0.719 1
1 491 . 14 1 1 A 42 42 ASN H H 42 8.247 8.544 -0.297 1
1 492 . 14 1 1 A 42 42 ASN HA H 42 4.483 4.732 -0.249 1
1 497 . 14 1 1 A 42 42 ASN CA C 42 54.383 56.067 -1.684 1
1 498 . 14 1 1 A 42 42 ASN CB C 42 38.853 39.191 -0.338 1
1 499 . 14 1 1 A 42 42 ASN N N 42 119.282 117.826 1.456 1
1 501 . 14 1 1 A 43 43 ARG H H 43 8.048 8.002 0.046 1
1 502 . 14 1 1 A 43 43 ARG HA H 43 4.130 4.022 0.108 1
1 509 . 14 1 1 A 43 43 ARG CA C 43 57.429 58.875 -1.446 1
1 510 . 14 1 1 A 43 43 ARG CB C 43 30.503 29.817 0.686 1
1 513 . 14 1 1 A 43 43 ARG N N 43 121.050 120.123 0.927 1
1 514 . 14 1 1 A 44 44 SER H H 44 8.111 7.976 0.135 1
1 515 . 14 1 1 A 44 44 SER HA H 44 4.262 3.918 0.344 1
1 518 . 14 1 1 A 44 44 SER CA C 44 59.660 60.758 -1.098 1
1 519 . 14 1 1 A 44 44 SER CB C 44 63.810 62.702 1.108 1
1 520 . 14 1 1 A 44 44 SER N N 44 115.587 114.543 1.044 1
1 521 . 14 1 1 A 45 45 LYS H H 45 7.968 7.752 0.216 1
1 522 . 14 1 1 A 45 45 LYS HA H 45 4.132 4.315 -0.183 1
1 526 . 14 1 1 A 45 45 LYS CA C 45 57.193 57.606 -0.413 1
1 527 . 14 1 1 A 45 45 LYS CB C 45 32.534 33.261 -0.727 1
1 529 . 14 1 1 A 45 45 LYS N N 45 122.205 120.158 2.047 1
1 530 . 14 1 1 A 46 46 ALA H H 46 7.936 7.356 0.580 1
1 531 . 14 1 1 A 46 46 ALA HA H 46 4.179 4.226 -0.047 1
1 535 . 14 1 1 A 46 46 ALA CA C 46 53.196 52.460 0.736 1
1 536 . 14 1 1 A 46 46 ALA CB C 46 19.279 19.298 -0.019 1
1 537 . 14 1 1 A 46 46 ALA N N 46 123.430 118.923 4.507 1
1 538 . 14 1 1 A 47 47 LEU H H 47 7.873 7.445 0.428 1
1 539 . 14 1 1 A 47 47 LEU HA H 47 4.147 3.859 0.288 1
1 549 . 14 1 1 A 47 47 LEU CA C 47 55.854 56.527 -0.673 1
1 550 . 14 1 1 A 47 47 LEU CB C 47 42.536 40.793 1.743 1
1 554 . 14 1 1 A 47 47 LEU N N 47 119.760 117.290 2.470 1
1 555 . 14 1 1 A 48 48 PHE H H 48 7.960 8.286 -0.326 1
1 556 . 14 1 1 A 48 48 PHE HA H 48 4.540 4.402 0.138 1
1 561 . 14 1 1 A 48 48 PHE CA C 48 58.150 59.735 -1.585 1
1 562 . 14 1 1 A 48 48 PHE CB C 48 39.499 39.446 0.053 1
1 563 . 14 1 1 A 48 48 PHE N N 48 119.481 122.946 -3.465 1
1 564 . 14 1 1 A 49 49 SER H H 49 8.011 7.840 0.171 1
1 565 . 14 1 1 A 49 49 SER HA H 49 4.333 4.486 -0.153 1
1 566 . 14 1 1 A 49 49 SER CA C 49 58.675 57.887 0.788 1
1 567 . 14 1 1 A 49 49 SER N N 49 116.263 113.450 2.813 1
1 568 . 14 1 1 A 50 50 GLN H H 50 8.252 8.952 -0.700 1
1 569 . 14 1 1 A 50 50 GLN HA H 50 4.250 4.054 0.196 1
1 576 . 14 1 1 A 50 50 GLN CA C 50 56.570 59.324 -2.754 1
1 577 . 14 1 1 A 50 50 GLN CB C 50 29.372 28.090 1.282 1
1 579 . 14 1 1 A 50 50 GLN N N 50 121.890 122.273 -0.383 1
1 581 . 14 1 1 A 51 51 SER H H 51 8.143 8.040 0.103 1
1 582 . 14 1 1 A 51 51 SER HA H 51 4.332 4.222 0.110 1
1 583 . 14 1 1 A 51 51 SER CA C 51 58.848 61.148 -2.300 1
1 584 . 14 1 1 A 51 51 SER N N 51 115.677 116.678 -1.001 1
1 585 . 14 1 1 A 52 52 ALA H H 52 8.168 7.247 0.921 1
1 586 . 14 1 1 A 52 52 ALA HA H 52 4.261 4.153 0.108 1
1 590 . 14 1 1 A 52 52 ALA CA C 52 53.119 54.076 -0.957 1
1 591 . 14 1 1 A 52 52 ALA CB C 52 19.175 18.579 0.596 1
1 592 . 14 1 1 A 52 52 ALA N N 52 125.354 121.404 3.950 1
1 593 . 14 1 1 A 53 53 ILE H H 53 7.858 7.769 0.089 1
1 594 . 14 1 1 A 53 53 ILE HA H 53 4.094 4.705 -0.611 1
1 604 . 14 1 1 A 53 53 ILE CA C 53 61.666 59.498 2.168 1
1 605 . 14 1 1 A 53 53 ILE CB C 53 39.015 42.304 -3.289 1
1 609 . 14 1 1 A 53 53 ILE N N 53 118.218 117.235 0.983 1
1 610 . 14 1 1 A 54 54 SER H H 54 8.152 8.968 -0.816 1
1 611 . 14 1 1 A 54 54 SER HA H 54 4.348 4.518 -0.170 1
1 614 . 14 1 1 A 54 54 SER CA C 54 58.678 57.927 0.751 1
1 615 . 14 1 1 A 54 54 SER CB C 54 64.002 64.216 -0.214 1
1 616 . 14 1 1 A 54 54 SER N N 54 118.590 123.205 -4.615 1
1 617 . 14 1 1 A 55 55 GLN H H 55 8.298 8.792 -0.494 1
1 618 . 14 1 1 A 55 55 GLN HA H 55 4.198 4.025 0.173 1
1 625 . 14 1 1 A 55 55 GLN CA C 55 56.690 58.108 -1.418 1
1 626 . 14 1 1 A 55 55 GLN CB C 55 29.393 28.496 0.897 1
1 628 . 14 1 1 A 55 55 GLN N N 55 122.154 123.583 -1.429 1
1 630 . 14 1 1 A 56 56 LYS H H 56 8.153 7.998 0.155 1
1 631 . 14 1 1 A 56 56 LYS HA H 56 4.161 4.539 -0.378 1
1 636 . 14 1 1 A 56 56 LYS CA C 56 57.174 55.526 1.648 1
1 637 . 14 1 1 A 56 56 LYS CB C 56 32.991 33.662 -0.671 1
1 639 . 14 1 1 A 56 56 LYS N N 56 121.127 117.726 3.401 1
1 640 . 14 1 1 A 57 57 GLU H H 57 8.201 8.067 0.134 1
1 641 . 14 1 1 A 57 57 GLU HA H 57 4.151 4.412 -0.261 1
1 646 . 14 1 1 A 57 57 GLU CA C 57 57.273 57.993 -0.720 1
1 647 . 14 1 1 A 57 57 GLU CB C 57 30.262 30.782 -0.520 1
1 649 . 14 1 1 A 57 57 GLU N N 57 120.626 117.913 2.713 1
1 650 . 14 1 1 A 58 58 TYR H H 58 8.057 8.560 -0.503 1
1 651 . 14 1 1 A 58 58 TYR HA H 58 4.375 4.469 -0.094 1
1 658 . 14 1 1 A 58 58 TYR CA C 58 58.721 59.538 -0.817 1
1 659 . 14 1 1 A 58 58 TYR CB C 58 39.096 37.017 2.079 1
1 660 . 14 1 1 A 58 58 TYR N N 58 120.841 118.453 2.388 1
1 661 . 14 1 1 A 59 59 ASP H H 59 8.144 8.096 0.048 1
1 662 . 14 1 1 A 59 59 ASP HA H 59 4.493 4.154 0.339 1
1 665 . 14 1 1 A 59 59 ASP CA C 59 54.505 56.648 -2.143 1
1 666 . 14 1 1 A 59 59 ASP CB C 59 41.233 41.355 -0.122 1
1 667 . 14 1 1 A 59 59 ASP N N 59 122.549 122.713 -0.164 1
1 668 . 14 1 1 A 60 60 SER H H 60 8.245 8.101 0.144 1
1 669 . 14 1 1 A 60 60 SER HA H 60 4.255 4.120 0.135 1
1 670 . 14 1 1 A 60 60 SER CA C 60 59.650 62.393 -2.743 1
1 671 . 14 1 1 A 60 60 SER N N 60 117.646 116.905 0.741 1
1 672 . 14 1 1 A 61 61 SER H H 61 8.329 8.022 0.307 1
1 673 . 14 1 1 A 61 61 SER HA H 61 4.307 4.214 0.093 1
1 676 . 14 1 1 A 61 61 SER CA C 61 59.882 62.339 -2.457 1
1 677 . 14 1 1 A 61 61 SER CB C 61 63.888 62.817 1.071 1
1 678 . 14 1 1 A 61 61 SER N N 61 118.138 118.102 0.036 1
1 679 . 14 1 1 A 62 62 LEU H H 62 7.753 7.746 0.007 1
1 680 . 14 1 1 A 62 62 LEU HA H 62 4.227 4.287 -0.060 1
1 690 . 14 1 1 A 62 62 LEU CA C 62 55.640 56.935 -1.295 1
1 691 . 14 1 1 A 62 62 LEU CB C 62 42.389 41.716 0.673 1
1 695 . 14 1 1 A 62 62 LEU N N 62 122.616 119.393 3.223 1
1 696 . 14 1 1 A 63 63 ALA H H 63 7.908 7.700 0.208 1
1 697 . 14 1 1 A 63 63 ALA HA H 63 4.266 4.535 -0.269 1
1 701 . 14 1 1 A 63 63 ALA CA C 63 53.071 51.158 1.913 1
1 702 . 14 1 1 A 63 63 ALA CB C 63 19.373 19.458 -0.085 1
1 703 . 14 1 1 A 63 63 ALA N N 63 123.326 120.100 3.226 1
1 704 . 14 1 1 A 64 64 THR H H 64 7.855 7.905 -0.050 1
1 705 . 14 1 1 A 64 64 THR HA H 64 4.212 4.576 -0.364 1
1 710 . 14 1 1 A 64 64 THR CA C 64 61.955 59.834 2.121 1
1 711 . 14 1 1 A 64 64 THR CB C 64 69.997 71.137 -1.140 1
1 713 . 14 1 1 A 64 64 THR N N 64 112.019 111.651 0.368 1
1 714 . 14 1 1 A 65 65 LEU H H 65 7.970 9.183 -1.213 1
1 715 . 14 1 1 A 65 65 LEU HA H 65 4.290 3.934 0.356 1
1 725 . 14 1 1 A 65 65 LEU CA C 65 55.509 56.259 -0.750 1
1 726 . 14 1 1 A 65 65 LEU CB C 65 42.619 40.123 2.496 1
1 730 . 14 1 1 A 65 65 LEU N N 65 123.564 124.989 -1.425 1
1 731 . 14 1 1 A 66 66 ASP H H 66 8.271 8.333 -0.062 1
1 732 . 14 1 1 A 66 66 ASP HA H 66 4.538 4.217 0.321 1
1 735 . 14 1 1 A 66 66 ASP CA C 66 54.906 55.407 -0.501 1
1 736 . 14 1 1 A 66 66 ASP CB C 66 41.384 39.834 1.550 1
1 737 . 14 1 1 A 66 66 ASP N N 66 120.385 115.241 5.144 1
1 738 . 14 1 1 A 67 67 HIS H H 67 8.020 7.927 0.093 1
1 739 . 14 1 1 A 67 67 HIS HA H 67 5.236 5.053 0.183 1
1 744 . 14 1 1 A 67 67 HIS CA C 67 55.411 56.817 -1.406 1
1 745 . 14 1 1 A 67 67 HIS CB C 67 32.135 31.099 1.036 1
1 746 . 14 1 1 A 67 67 HIS N N 67 119.214 118.506 0.708 1
1 747 . 14 1 1 A 68 68 THR H H 68 8.903 8.759 0.144 1
1 748 . 14 1 1 A 68 68 THR HA H 68 4.474 4.813 -0.339 1
1 753 . 14 1 1 A 68 68 THR CA C 68 62.536 61.143 1.393 1
1 754 . 14 1 1 A 68 68 THR CB C 68 71.267 72.385 -1.118 1
1 756 . 14 1 1 A 68 68 THR N N 68 117.138 114.906 2.232 1
1 757 . 14 1 1 A 69 69 GLU H H 69 8.630 8.785 -0.155 1
1 758 . 14 1 1 A 69 69 GLU HA H 69 4.480 5.279 -0.799 1
1 763 . 14 1 1 A 69 69 GLU CA C 69 56.016 55.137 0.879 1
1 764 . 14 1 1 A 69 69 GLU CB C 69 31.824 32.192 -0.368 1
1 766 . 14 1 1 A 69 69 GLU N N 69 124.226 123.260 0.966 1
1 767 . 14 1 1 A 70 70 ILE H H 70 8.589 8.828 -0.239 1
1 768 . 14 1 1 A 70 70 ILE HA H 70 4.405 4.980 -0.575 1
1 778 . 14 1 1 A 70 70 ILE CA C 70 59.367 59.911 -0.544 1
1 779 . 14 1 1 A 70 70 ILE CB C 70 37.492 40.878 -3.386 1
1 783 . 14 1 1 A 70 70 ILE N N 70 123.526 120.966 2.560 1
1 784 . 14 1 1 A 71 71 LYS H H 71 8.910 8.632 0.278 1
1 785 . 14 1 1 A 71 71 LYS HA H 71 5.070 4.969 0.101 1
1 790 . 14 1 1 A 71 71 LYS CA C 71 54.732 54.252 0.480 1
1 791 . 14 1 1 A 71 71 LYS CB C 71 36.388 36.126 0.262 1
1 793 . 14 1 1 A 71 71 LYS N N 71 128.313 125.328 2.985 1
1 794 . 14 1 1 A 72 72 ALA H H 72 8.623 8.998 -0.375 1
1 795 . 14 1 1 A 72 72 ALA HA H 72 4.060 4.325 -0.265 1
1 799 . 14 1 1 A 72 72 ALA CA C 72 50.119 50.849 -0.730 1
1 800 . 14 1 1 A 72 72 ALA CB C 72 17.261 18.162 -0.901 1
1 801 . 14 1 1 A 72 72 ALA N N 72 123.091 125.173 -2.082 1
1 802 . 14 1 1 A 73 73 PRO HA H 73 4.328 4.416 -0.088 1
1 809 . 14 1 1 A 73 73 PRO CA C 73 63.731 64.395 -0.664 1
1 810 . 14 1 1 A 73 73 PRO CB C 73 32.196 31.918 0.278 1
1 813 . 14 1 1 A 74 74 PHE H H 74 6.758 6.849 -0.091 1
1 814 . 14 1 1 A 74 74 PHE HA H 74 4.414 4.942 -0.528 1
1 821 . 14 1 1 A 74 74 PHE CA C 74 54.539 56.039 -1.500 1
1 822 . 14 1 1 A 74 74 PHE CB C 74 40.862 40.550 0.312 1
1 823 . 14 1 1 A 74 74 PHE N N 74 112.045 113.100 -1.055 1
1 824 . 14 1 1 A 75 75 ASP H H 75 8.563 8.911 -0.348 1
1 825 . 14 1 1 A 75 75 ASP HA H 75 4.915 5.303 -0.388 1
1 828 . 14 1 1 A 75 75 ASP CA C 75 54.108 55.055 -0.947 1
1 829 . 14 1 1 A 75 75 ASP CB C 75 41.011 41.803 -0.792 1
1 830 . 14 1 1 A 75 75 ASP N N 75 118.284 120.711 -2.427 1
1 831 . 14 1 1 A 76 76 GLY H H 76 8.340 8.500 -0.160 1
1 832 . 14 1 1 A 76 76 GLY HA2 H 76 4.228 4.388 -0.160 1
1 833 . 14 1 1 A 76 76 GLY HA3 H 76 4.070 4.452 -0.382 1
1 834 . 14 1 1 A 76 76 GLY CA C 76 46.761 46.134 0.627 1
1 835 . 14 1 1 A 76 76 GLY N N 76 108.739 111.760 -3.021 1
1 836 . 14 1 1 A 77 77 THR H H 77 8.607 8.951 -0.344 1
1 837 . 14 1 1 A 77 77 THR HA H 77 4.966 5.362 -0.396 1
1 842 . 14 1 1 A 77 77 THR CA C 77 61.891 61.210 0.681 1
1 843 . 14 1 1 A 77 77 THR CB C 77 70.413 72.304 -1.891 1
1 845 . 14 1 1 A 77 77 THR N N 77 116.423 115.646 0.777 1
1 846 . 14 1 1 A 78 78 ILE H H 78 8.815 8.726 0.089 1
1 847 . 14 1 1 A 78 78 ILE HA H 78 4.656 4.915 -0.259 1
1 857 . 14 1 1 A 78 78 ILE CA C 78 60.214 59.757 0.457 1
1 858 . 14 1 1 A 78 78 ILE CB C 78 43.110 41.589 1.521 1
1 862 . 14 1 1 A 78 78 ILE N N 78 129.313 123.810 5.503 1
1 863 . 14 1 1 A 79 79 GLY H H 79 8.052 8.931 -0.879 1
1 864 . 14 1 1 A 79 79 GLY HA2 H 79 4.394 4.152 0.242 1
1 865 . 14 1 1 A 79 79 GLY HA3 H 79 3.765 4.162 -0.397 1
1 866 . 14 1 1 A 79 79 GLY CA C 79 44.297 44.343 -0.046 1
1 867 . 14 1 1 A 79 79 GLY N N 79 114.522 116.456 -1.934 1
1 868 . 14 1 1 A 80 80 ASP H H 80 7.792 8.610 -0.818 1
1 869 . 14 1 1 A 80 80 ASP HA H 80 4.706 4.577 0.129 1
1 872 . 14 1 1 A 80 80 ASP CA C 80 53.784 54.642 -0.858 1
1 873 . 14 1 1 A 80 80 ASP CB C 80 42.062 40.952 1.110 1
1 874 . 14 1 1 A 80 80 ASP N N 80 113.706 118.787 -5.081 1
1 875 . 14 1 1 A 81 81 ALA H H 81 8.552 8.745 -0.193 1
1 876 . 14 1 1 A 81 81 ALA HA H 81 4.567 4.692 -0.125 1
1 880 . 14 1 1 A 81 81 ALA CA C 81 53.345 52.870 0.475 1
1 881 . 14 1 1 A 81 81 ALA CB C 81 20.325 19.170 1.155 1
1 882 . 14 1 1 A 81 81 ALA N N 81 124.168 126.533 -2.365 1
1 883 . 14 1 1 A 82 82 LEU H H 82 8.734 9.469 -0.735 1
1 884 . 14 1 1 A 82 82 LEU HA H 82 4.338 4.767 -0.429 1
1 893 . 14 1 1 A 82 82 LEU CA C 82 55.320 54.767 0.553 1
1 894 . 14 1 1 A 82 82 LEU CB C 82 41.616 43.391 -1.775 1
1 897 . 14 1 1 A 82 82 LEU N N 82 121.830 122.171 -0.341 1
1 898 . 14 1 1 A 83 83 VAL H H 83 7.136 7.689 -0.553 1
1 899 . 14 1 1 A 83 83 VAL HA H 83 4.489 4.936 -0.447 1
1 907 . 14 1 1 A 83 83 VAL CA C 83 58.552 58.658 -0.106 1
1 908 . 14 1 1 A 83 83 VAL CB C 83 35.418 36.056 -0.638 1
1 911 . 14 1 1 A 83 83 VAL N N 83 108.193 113.055 -4.862 1
1 912 . 14 1 1 A 84 84 ASN H H 84 9.073 8.903 0.170 1
1 913 . 14 1 1 A 84 84 ASN HA H 84 4.872 5.324 -0.452 1
1 918 . 14 1 1 A 84 84 ASN CA C 84 51.417 51.394 0.023 1
1 919 . 14 1 1 A 84 84 ASN CB C 84 42.127 42.910 -0.783 1
1 920 . 14 1 1 A 84 84 ASN N N 84 119.533 119.476 0.057 1
1 922 . 14 1 1 A 85 85 ILE H H 85 8.390 8.529 -0.139 1
1 923 . 14 1 1 A 85 85 ILE HA H 85 3.384 3.740 -0.356 1
1 933 . 14 1 1 A 85 85 ILE CA C 85 63.985 63.948 0.037 1
1 934 . 14 1 1 A 85 85 ILE CB C 85 37.368 37.243 0.125 1
1 938 . 14 1 1 A 85 85 ILE N N 85 119.414 122.438 -3.024 1
1 939 . 14 1 1 A 86 86 GLY H H 86 9.229 8.509 0.720 1
1 940 . 14 1 1 A 86 86 GLY HA2 H 86 4.392 4.044 0.348 1
1 941 . 14 1 1 A 86 86 GLY HA3 H 86 3.412 4.046 -0.634 1
1 942 . 14 1 1 A 86 86 GLY CA C 86 44.946 44.964 -0.018 1
1 943 . 14 1 1 A 86 86 GLY N N 86 117.337 115.556 1.781 1
1 944 . 14 1 1 A 87 87 ASP H H 87 7.956 8.402 -0.446 1
1 945 . 14 1 1 A 87 87 ASP HA H 87 4.599 4.691 -0.092 1
1 948 . 14 1 1 A 87 87 ASP CA C 87 55.055 54.900 0.155 1
1 949 . 14 1 1 A 87 87 ASP CB C 87 40.978 41.228 -0.250 1
1 950 . 14 1 1 A 87 87 ASP N N 87 121.511 121.990 -0.479 1
1 951 . 14 1 1 A 88 88 TYR H H 88 8.545 8.850 -0.305 1
1 952 . 14 1 1 A 88 88 TYR HA H 88 4.718 4.732 -0.014 1
1 959 . 14 1 1 A 88 88 TYR CA C 88 57.954 57.230 0.724 1
1 960 . 14 1 1 A 88 88 TYR CB C 88 39.411 38.519 0.892 1
1 961 . 14 1 1 A 88 88 TYR N N 88 122.327 125.904 -3.577 1
1 962 . 14 1 1 A 89 89 VAL H H 89 8.937 8.487 0.450 1
1 963 . 14 1 1 A 89 89 VAL HA H 89 4.565 5.036 -0.471 1
1 971 . 14 1 1 A 89 89 VAL CA C 89 58.580 59.597 -1.017 1
1 972 . 14 1 1 A 89 89 VAL CB C 89 34.504 33.795 0.709 1
1 975 . 14 1 1 A 89 89 VAL N N 89 121.838 122.934 -1.096 1
1 976 . 14 1 1 A 90 90 SER H H 90 8.761 8.500 0.261 1
1 977 . 14 1 1 A 90 90 SER HA H 90 4.562 5.130 -0.568 1
1 980 . 14 1 1 A 90 90 SER CA C 90 56.974 56.214 0.760 1
1 981 . 14 1 1 A 90 90 SER CB C 90 65.027 65.642 -0.615 1
1 982 . 14 1 1 A 90 90 SER N N 90 114.806 116.552 -1.746 1
1 983 . 14 1 1 A 91 91 ALA H H 91 8.692 8.934 -0.242 1
1 984 . 14 1 1 A 91 91 ALA HA H 91 3.505 4.063 -0.558 1
1 988 . 14 1 1 A 91 91 ALA CA C 91 53.471 54.794 -1.323 1
1 989 . 14 1 1 A 91 91 ALA CB C 91 18.719 18.401 0.318 1
1 990 . 14 1 1 A 91 91 ALA N N 91 129.873 129.013 0.860 1
1 991 . 14 1 1 A 92 92 SER H H 92 9.156 7.920 1.236 1
1 992 . 14 1 1 A 92 92 SER HA H 92 3.804 4.653 -0.849 1
1 995 . 14 1 1 A 92 92 SER CA C 92 60.827 57.141 3.686 1
1 996 . 14 1 1 A 92 92 SER CB C 92 62.630 64.616 -1.986 1
1 997 . 14 1 1 A 92 92 SER N N 92 113.297 108.196 5.101 1
1 998 . 14 1 1 A 93 93 THR H H 93 7.806 7.471 0.335 1
1 999 . 14 1 1 A 93 93 THR HA H 93 4.387 4.402 -0.015 1
1 1004 . 14 1 1 A 93 93 THR CA C 93 64.607 63.453 1.154 1
1 1005 . 14 1 1 A 93 93 THR CB C 93 71.127 70.058 1.069 1
1 1007 . 14 1 1 A 93 93 THR N N 93 113.896 114.947 -1.051 1
1 1008 . 14 1 1 A 94 94 THR H H 94 7.691 7.643 0.048 1
1 1009 . 14 1 1 A 94 94 THR HA H 94 3.899 4.488 -0.589 1
1 1014 . 14 1 1 A 94 94 THR CA C 94 65.258 62.350 2.908 1
1 1015 . 14 1 1 A 94 94 THR CB C 94 70.283 71.305 -1.022 1
1 1017 . 14 1 1 A 94 94 THR N N 94 119.603 111.135 8.468 1
1 1018 . 14 1 1 A 95 95 GLU H H 95 8.389 7.997 0.392 1
1 1019 . 14 1 1 A 95 95 GLU HA H 95 3.793 4.166 -0.373 1
1 1024 . 14 1 1 A 95 95 GLU CA C 95 56.783 57.526 -0.743 1
1 1025 . 14 1 1 A 95 95 GLU CB C 95 29.777 28.465 1.312 1
1 1027 . 14 1 1 A 95 95 GLU N N 95 124.816 117.941 6.875 1
1 1028 . 14 1 1 A 96 96 LEU H H 96 8.735 8.267 0.468 1
1 1029 . 14 1 1 A 96 96 LEU HA H 96 4.249 4.252 -0.003 1
1 1039 . 14 1 1 A 96 96 LEU CA C 96 57.071 55.850 1.221 1
1 1040 . 14 1 1 A 96 96 LEU CB C 96 43.517 42.245 1.272 1
1 1044 . 14 1 1 A 96 96 LEU N N 96 120.104 125.728 -5.624 1
1 1045 . 14 1 1 A 97 97 VAL H H 97 7.049 7.300 -0.251 1
1 1046 . 14 1 1 A 97 97 VAL HA H 97 4.334 4.358 -0.024 1
1 1054 . 14 1 1 A 97 97 VAL CA C 97 61.411 60.976 0.435 1
1 1055 . 14 1 1 A 97 97 VAL CB C 97 31.724 34.025 -2.301 1
1 1058 . 14 1 1 A 97 97 VAL N N 97 112.399 114.309 -1.910 1
1 1059 . 14 1 1 A 98 98 ARG H H 98 8.968 8.570 0.398 1
1 1060 . 14 1 1 A 98 98 ARG HA H 98 5.255 5.310 -0.055 1
1 1067 . 14 1 1 A 98 98 ARG CA C 98 55.391 54.519 0.872 1
1 1068 . 14 1 1 A 98 98 ARG CB C 98 32.925 33.427 -0.502 1
1 1071 . 14 1 1 A 98 98 ARG N N 98 127.489 121.770 5.719 1
1 1072 . 14 1 1 A 99 99 VAL H H 99 8.884 8.681 0.203 1
1 1073 . 14 1 1 A 99 99 VAL HA H 99 4.554 4.861 -0.307 1
1 1078 . 14 1 1 A 99 99 VAL CA C 99 60.996 61.185 -0.189 1
1 1079 . 14 1 1 A 99 99 VAL CB C 99 34.358 34.179 0.179 1
1 1081 . 14 1 1 A 99 99 VAL N N 99 122.863 122.505 0.358 1
1 1082 . 14 1 1 A 100 100 THR H H 100 8.823 9.402 -0.579 1
1 1083 . 14 1 1 A 100 100 THR HA H 100 4.552 5.099 -0.547 1
1 1088 . 14 1 1 A 100 100 THR CA C 100 61.105 60.853 0.252 1
1 1089 . 14 1 1 A 100 100 THR CB C 100 70.859 71.757 -0.898 1
1 1091 . 14 1 1 A 100 100 THR N N 100 121.813 122.052 -0.239 1
1 1092 . 14 1 1 A 101 101 ASN H H 101 8.146 9.029 -0.883 1
1 1093 . 14 1 1 A 101 101 ASN HA H 101 4.505 4.815 -0.310 1
1 1098 . 14 1 1 A 101 101 ASN CA C 101 54.283 53.502 0.781 1
1 1099 . 14 1 1 A 101 101 ASN CB C 101 38.631 39.268 -0.637 1
1 1100 . 14 1 1 A 101 101 ASN N N 101 122.582 127.542 -4.960 1
1 1102 . 14 1 1 A 102 102 LEU H H 102 8.154 8.985 -0.831 1
1 1103 . 14 1 1 A 102 102 LEU HA H 102 4.236 4.385 -0.149 1
1 1113 . 14 1 1 A 102 102 LEU CA C 102 55.618 55.772 -0.154 1
1 1114 . 14 1 1 A 102 102 LEU CB C 102 42.842 43.226 -0.384 1
1 1118 . 14 1 1 A 102 102 LEU N N 102 122.572 125.647 -3.075 1
1 1119 . 14 1 1 A 103 103 ASN H H 103 8.393 7.427 0.966 1
1 1120 . 14 1 1 A 103 103 ASN HA H 103 4.862 5.019 -0.157 1
1 1125 . 14 1 1 A 103 103 ASN CA C 103 51.431 49.578 1.853 1
1 1126 . 14 1 1 A 103 103 ASN CB C 103 39.172 40.411 -1.239 1
1 1127 . 14 1 1 A 103 103 ASN N N 103 120.155 114.894 5.261 1
1 1129 . 14 1 1 A 104 104 PRO HA H 104 4.224 4.488 -0.264 1
1 1136 . 14 1 1 A 104 104 PRO CA C 104 63.636 63.872 -0.236 1
1 1137 . 14 1 1 A 104 104 PRO CB C 104 32.301 32.264 0.037 1
1 1140 . 14 1 1 A 105 105 ILE H H 105 7.870 8.102 -0.232 1
1 1141 . 14 1 1 A 105 105 ILE HA H 105 3.934 4.271 -0.337 1
1 1151 . 14 1 1 A 105 105 ILE CA C 105 61.566 60.194 1.372 1
1 1152 . 14 1 1 A 105 105 ILE CB C 105 38.723 38.193 0.530 1
1 1156 . 14 1 1 A 105 105 ILE N N 105 119.425 116.894 2.531 1
1 1157 . 14 1 1 A 106 106 TYR H H 106 7.945 8.202 -0.257 1
1 1158 . 14 1 1 A 106 106 TYR HA H 106 4.529 4.469 0.060 1
1 1165 . 14 1 1 A 106 106 TYR CA C 106 57.548 59.861 -2.313 1
1 1166 . 14 1 1 A 106 106 TYR CB C 106 39.048 38.708 0.340 1
1 1167 . 14 1 1 A 106 106 TYR N N 106 123.138 121.629 1.509 1
1 1168 . 14 1 1 A 107 107 ALA H H 107 8.113 7.636 0.477 1
1 1169 . 14 1 1 A 107 107 ALA HA H 107 4.213 4.416 -0.203 1
1 1173 . 14 1 1 A 107 107 ALA CA C 107 52.847 50.992 1.855 1
1 1174 . 14 1 1 A 107 107 ALA CB C 107 19.450 17.401 2.049 1
1 1175 . 14 1 1 A 107 107 ALA N N 107 125.476 121.994 3.482 1
1 1176 . 14 1 1 A 108 108 ASP H H 108 8.140 8.493 -0.353 1
1 1177 . 14 1 1 A 108 108 ASP HA H 108 4.502 4.264 0.238 1
1 1180 . 14 1 1 A 108 108 ASP CA C 108 54.515 55.929 -1.414 1
1 1181 . 14 1 1 A 108 108 ASP CB C 108 41.436 40.343 1.093 1
1 1182 . 14 1 1 A 108 108 ASP N N 108 119.275 123.687 -4.412 1
1 1183 . 14 1 1 A 109 109 GLY H H 109 8.304 8.831 -0.527 1
1 1184 . 14 1 1 A 109 109 GLY HA2 H 109 3.930 3.926 0.004 1
1 1185 . 14 1 1 A 109 109 GLY HA3 H 109 3.844 3.959 -0.115 1
1 1186 . 14 1 1 A 109 109 GLY CA C 109 45.809 45.164 0.645 1
1 1187 . 14 1 1 A 109 109 GLY N N 109 109.463 114.855 -5.392 1
1 1188 . 14 1 1 A 110 110 SER H H 110 8.169 7.939 0.230 1
1 1189 . 14 1 1 A 110 110 SER HA H 110 4.263 4.574 -0.311 1
1 1190 . 14 1 1 A 110 110 SER CA C 110 59.017 58.422 0.595 1
1 1191 . 14 1 1 A 110 110 SER N N 110 115.630 114.118 1.512 1
1 1192 . 14 1 1 A 111 111 HIS HA H 111 4.522 5.186 -0.664 1
1 1195 . 14 1 1 A 111 111 HIS CA C 111 56.269 54.434 1.835 1
1 1196 . 14 1 1 A 111 111 HIS CB C 111 30.558 32.217 -1.659 1
1 1197 . 14 1 1 A 112 112 HIS HA H 112 4.341 5.308 -0.967 1
1 1200 . 14 1 1 A 112 112 HIS CA C 112 57.660 55.001 2.659 1
1 2 . 15 1 1 A 2 2 VAL H H 2 8.608 9.245 -0.637 1
1 3 . 15 1 1 A 2 2 VAL HA H 2 4.472 4.715 -0.243 1
1 11 . 15 1 1 A 2 2 VAL CA C 2 61.161 60.420 0.741 1
1 12 . 15 1 1 A 2 2 VAL CB C 2 35.825 34.807 1.018 1
1 15 . 15 1 1 A 2 2 VAL N N 2 117.995 121.180 -3.185 1
1 16 . 15 1 1 A 3 3 ILE H H 3 8.424 8.847 -0.423 1
1 17 . 15 1 1 A 3 3 ILE HA H 3 4.489 4.246 0.243 1
1 27 . 15 1 1 A 3 3 ILE CA C 3 60.273 61.327 -1.054 1
1 28 . 15 1 1 A 3 3 ILE CB C 3 38.595 36.982 1.613 1
1 32 . 15 1 1 A 3 3 ILE N N 3 125.647 130.081 -4.434 1
1 33 . 15 1 1 A 4 4 ILE H H 4 8.531 8.838 -0.307 1
1 34 . 15 1 1 A 4 4 ILE HA H 4 3.990 4.135 -0.145 1
1 44 . 15 1 1 A 4 4 ILE CA C 4 61.656 61.872 -0.216 1
1 45 . 15 1 1 A 4 4 ILE CB C 4 38.183 38.556 -0.373 1
1 49 . 15 1 1 A 4 4 ILE N N 4 127.472 129.889 -2.417 1
1 50 . 15 1 1 A 5 5 LYS H H 5 8.277 8.829 -0.552 1
1 51 . 15 1 1 A 5 5 LYS HA H 5 5.164 4.700 0.464 1
1 60 . 15 1 1 A 5 5 LYS CA C 5 53.440 52.911 0.529 1
1 61 . 15 1 1 A 5 5 LYS CB C 5 33.808 35.385 -1.577 1
1 65 . 15 1 1 A 5 5 LYS N N 5 126.697 126.396 0.301 1
1 66 . 15 1 1 A 6 6 PRO HA H 6 4.370 4.688 -0.318 1
1 73 . 15 1 1 A 6 6 PRO CA C 6 62.493 62.517 -0.024 1
1 74 . 15 1 1 A 6 6 PRO CB C 6 32.091 32.857 -0.766 1
1 77 . 15 1 1 A 7 7 GLN H H 7 9.334 8.303 1.031 1
1 78 . 15 1 1 A 7 7 GLN HA H 7 4.348 4.350 -0.002 1
1 85 . 15 1 1 A 7 7 GLN CA C 7 56.384 55.606 0.778 1
1 86 . 15 1 1 A 7 7 GLN CB C 7 28.934 28.787 0.147 1
1 88 . 15 1 1 A 7 7 GLN N N 7 119.944 117.660 2.284 1
1 90 . 15 1 1 A 8 8 VAL H H 8 7.021 7.424 -0.403 1
1 91 . 15 1 1 A 8 8 VAL HA H 8 4.476 4.855 -0.379 1
1 99 . 15 1 1 A 8 8 VAL CA C 8 58.999 58.824 0.175 1
1 100 . 15 1 1 A 8 8 VAL CB C 8 35.347 36.170 -0.823 1
1 103 . 15 1 1 A 8 8 VAL N N 8 111.118 115.923 -4.805 1
1 104 . 15 1 1 A 9 9 SER H H 9 8.155 8.601 -0.446 1
1 105 . 15 1 1 A 9 9 SER HA H 9 4.945 5.190 -0.245 1
1 108 . 15 1 1 A 9 9 SER CA C 9 56.704 56.102 0.602 1
1 109 . 15 1 1 A 9 9 SER CB C 9 64.645 65.781 -1.136 1
1 110 . 15 1 1 A 9 9 SER N N 9 114.983 115.134 -0.151 1
1 111 . 15 1 1 A 10 10 GLY H H 10 7.981 8.341 -0.360 1
1 112 . 15 1 1 A 10 10 GLY HA2 H 10 4.416 4.100 0.316 1
1 113 . 15 1 1 A 10 10 GLY HA3 H 10 3.643 4.131 -0.488 1
1 114 . 15 1 1 A 10 10 GLY CA C 10 45.433 45.122 0.311 1
1 115 . 15 1 1 A 10 10 GLY N N 10 108.602 107.413 1.189 1
1 116 . 15 1 1 A 11 11 VAL H H 11 8.018 7.885 0.133 1
1 117 . 15 1 1 A 11 11 VAL HA H 11 4.740 4.741 -0.001 1
1 125 . 15 1 1 A 11 11 VAL CA C 11 60.580 60.303 0.277 1
1 126 . 15 1 1 A 11 11 VAL CB C 11 35.124 35.547 -0.423 1
1 129 . 15 1 1 A 11 11 VAL N N 11 118.346 120.326 -1.980 1
1 130 . 15 1 1 A 12 12 ILE H H 12 8.452 8.593 -0.141 1
1 131 . 15 1 1 A 12 12 ILE HA H 12 4.042 4.229 -0.187 1
1 141 . 15 1 1 A 12 12 ILE CA C 12 60.400 62.090 -1.690 1
1 142 . 15 1 1 A 12 12 ILE CB C 12 35.725 38.175 -2.450 1
1 146 . 15 1 1 A 12 12 ILE N N 12 125.267 125.347 -0.080 1
1 147 . 15 1 1 A 13 13 VAL H H 13 8.900 9.334 -0.434 1
1 148 . 15 1 1 A 13 13 VAL HA H 13 4.492 4.307 0.185 1
1 156 . 15 1 1 A 13 13 VAL CA C 13 62.168 63.323 -1.155 1
1 157 . 15 1 1 A 13 13 VAL CB C 13 33.406 33.739 -0.333 1
1 160 . 15 1 1 A 13 13 VAL N N 13 124.539 125.458 -0.919 1
1 161 . 15 1 1 A 14 14 ASN H H 14 7.649 7.445 0.204 1
1 162 . 15 1 1 A 14 14 ASN HA H 14 4.805 5.150 -0.345 1
1 167 . 15 1 1 A 14 14 ASN CA C 14 52.950 52.259 0.691 1
1 168 . 15 1 1 A 14 14 ASN CB C 14 42.149 41.904 0.245 1
1 169 . 15 1 1 A 14 14 ASN N N 14 115.008 116.340 -1.332 1
1 171 . 15 1 1 A 15 15 LYS H H 15 8.393 8.527 -0.134 1
1 172 . 15 1 1 A 15 15 LYS HA H 15 4.640 4.668 -0.028 1
1 179 . 15 1 1 A 15 15 LYS CA C 15 55.987 54.865 1.122 1
1 180 . 15 1 1 A 15 15 LYS CB C 15 35.412 33.255 2.157 1
1 183 . 15 1 1 A 15 15 LYS N N 15 123.820 121.620 2.200 1
1 184 . 15 1 1 A 16 16 LEU H H 16 8.015 8.484 -0.469 1
1 185 . 15 1 1 A 16 16 LEU HA H 16 4.983 3.855 1.128 1
1 195 . 15 1 1 A 16 16 LEU CA C 16 55.202 57.834 -2.632 1
1 196 . 15 1 1 A 16 16 LEU CB C 16 41.471 41.949 -0.478 1
1 200 . 15 1 1 A 16 16 LEU N N 16 126.200 126.384 -0.184 1
1 201 . 15 1 1 A 17 17 PHE H H 17 6.522 7.264 -0.742 1
1 202 . 15 1 1 A 17 17 PHE HA H 17 4.858 4.459 0.399 1
1 210 . 15 1 1 A 17 17 PHE CA C 17 55.675 56.373 -0.698 1
1 211 . 15 1 1 A 17 17 PHE CB C 17 41.329 40.292 1.037 1
1 212 . 15 1 1 A 17 17 PHE N N 17 113.650 116.398 -2.748 1
1 213 . 15 1 1 A 18 18 LYS H H 18 8.648 8.906 -0.258 1
1 214 . 15 1 1 A 18 18 LYS HA H 18 4.325 4.309 0.016 1
1 223 . 15 1 1 A 18 18 LYS CA C 18 54.442 53.777 0.665 1
1 224 . 15 1 1 A 18 18 LYS CB C 18 35.233 35.822 -0.589 1
1 228 . 15 1 1 A 18 18 LYS N N 18 120.586 118.067 2.519 1
1 229 . 15 1 1 A 19 19 ALA H H 19 8.396 8.401 -0.005 1
1 230 . 15 1 1 A 19 19 ALA HA H 19 3.956 4.249 -0.293 1
1 234 . 15 1 1 A 19 19 ALA CA C 19 54.151 54.000 0.151 1
1 235 . 15 1 1 A 19 19 ALA CB C 19 18.681 18.430 0.251 1
1 236 . 15 1 1 A 19 19 ALA N N 19 123.901 126.531 -2.630 1
1 237 . 15 1 1 A 20 20 GLY H H 20 8.806 8.953 -0.147 1
1 238 . 15 1 1 A 20 20 GLY HA2 H 20 4.299 4.010 0.289 1
1 239 . 15 1 1 A 20 20 GLY HA3 H 20 3.523 4.029 -0.506 1
1 240 . 15 1 1 A 20 20 GLY CA C 20 45.190 45.144 0.046 1
1 241 . 15 1 1 A 20 20 GLY N N 20 112.460 111.811 0.649 1
1 242 . 15 1 1 A 21 21 ASP H H 21 7.923 8.178 -0.255 1
1 243 . 15 1 1 A 21 21 ASP HA H 21 4.489 4.678 -0.189 1
1 246 . 15 1 1 A 21 21 ASP CA C 21 55.477 53.864 1.613 1
1 247 . 15 1 1 A 21 21 ASP CB C 21 41.593 42.224 -0.631 1
1 248 . 15 1 1 A 21 21 ASP N N 21 121.531 122.188 -0.657 1
1 249 . 15 1 1 A 22 22 LYS H H 22 8.292 8.541 -0.249 1
1 250 . 15 1 1 A 22 22 LYS HA H 22 4.861 4.609 0.252 1
1 259 . 15 1 1 A 22 22 LYS CA C 22 55.789 55.972 -0.183 1
1 260 . 15 1 1 A 22 22 LYS CB C 22 31.948 34.358 -2.410 1
1 264 . 15 1 1 A 22 22 LYS N N 22 120.223 122.029 -1.806 1
1 265 . 15 1 1 A 23 23 VAL H H 23 8.929 8.891 0.038 1
1 266 . 15 1 1 A 23 23 VAL HA H 23 4.828 5.042 -0.214 1
1 274 . 15 1 1 A 23 23 VAL CA C 23 58.619 59.200 -0.581 1
1 275 . 15 1 1 A 23 23 VAL CB C 23 34.776 35.439 -0.663 1
1 278 . 15 1 1 A 23 23 VAL N N 23 117.770 118.628 -0.858 1
1 279 . 15 1 1 A 24 24 LYS H H 24 7.952 8.291 -0.339 1
1 280 . 15 1 1 A 24 24 LYS HA H 24 4.828 4.474 0.354 1
1 289 . 15 1 1 A 24 24 LYS CA C 24 53.316 55.712 -2.396 1
1 290 . 15 1 1 A 24 24 LYS CB C 24 35.370 33.244 2.126 1
1 294 . 15 1 1 A 24 24 LYS N N 24 121.890 124.905 -3.015 1
1 295 . 15 1 1 A 25 25 LYS H H 25 8.903 8.613 0.290 1
1 296 . 15 1 1 A 25 25 LYS HA H 25 3.152 4.028 -0.876 1
1 304 . 15 1 1 A 25 25 LYS CA C 25 58.780 58.088 0.692 1
1 305 . 15 1 1 A 25 25 LYS CB C 25 32.788 32.088 0.700 1
1 309 . 15 1 1 A 25 25 LYS N N 25 121.717 125.426 -3.709 1
1 310 . 15 1 1 A 26 26 GLY H H 26 8.887 9.007 -0.120 1
1 311 . 15 1 1 A 26 26 GLY HA2 H 26 4.277 3.889 0.388 1
1 312 . 15 1 1 A 26 26 GLY HA3 H 26 3.462 3.907 -0.445 1
1 313 . 15 1 1 A 26 26 GLY CA C 26 45.387 45.377 0.010 1
1 314 . 15 1 1 A 26 26 GLY N N 26 115.271 114.490 0.781 1
1 315 . 15 1 1 A 27 27 GLN H H 27 8.423 8.063 0.360 1
1 316 . 15 1 1 A 27 27 GLN HA H 27 4.134 4.333 -0.199 1
1 323 . 15 1 1 A 27 27 GLN CA C 27 56.461 56.205 0.256 1
1 324 . 15 1 1 A 27 27 GLN CB C 27 30.655 28.985 1.670 1
1 326 . 15 1 1 A 27 27 GLN N N 27 123.160 120.142 3.018 1
1 328 . 15 1 1 A 28 28 THR H H 28 9.094 8.806 0.288 1
1 329 . 15 1 1 A 28 28 THR HA H 28 3.884 4.186 -0.302 1
1 334 . 15 1 1 A 28 28 THR CA C 28 66.017 64.280 1.737 1
1 335 . 15 1 1 A 28 28 THR CB C 28 68.577 68.987 -0.410 1
1 337 . 15 1 1 A 28 28 THR N N 28 124.723 118.544 6.179 1
1 338 . 15 1 1 A 29 29 LEU H H 29 9.499 9.442 0.057 1
1 339 . 15 1 1 A 29 29 LEU HA H 29 4.373 4.442 -0.069 1
1 349 . 15 1 1 A 29 29 LEU CA C 29 55.960 55.755 0.205 1
1 350 . 15 1 1 A 29 29 LEU CB C 29 44.601 43.272 1.329 1
1 354 . 15 1 1 A 29 29 LEU N N 29 125.894 127.219 -1.325 1
1 355 . 15 1 1 A 30 30 PHE H H 30 7.572 7.671 -0.099 1
1 356 . 15 1 1 A 30 30 PHE HA H 30 5.360 5.470 -0.110 1
1 364 . 15 1 1 A 30 30 PHE CA C 30 55.655 56.181 -0.526 1
1 365 . 15 1 1 A 30 30 PHE CB C 30 45.053 43.197 1.856 1
1 366 . 15 1 1 A 30 30 PHE N N 30 111.166 114.738 -3.572 1
1 367 . 15 1 1 A 31 31 ILE H H 31 7.850 8.465 -0.615 1
1 368 . 15 1 1 A 31 31 ILE HA H 31 4.808 5.057 -0.249 1
1 378 . 15 1 1 A 31 31 ILE CA C 31 60.159 59.463 0.696 1
1 379 . 15 1 1 A 31 31 ILE CB C 31 39.584 41.317 -1.733 1
1 383 . 15 1 1 A 31 31 ILE N N 31 119.419 119.749 -0.330 1
1 384 . 15 1 1 A 32 32 ILE H H 32 9.095 9.232 -0.137 1
1 385 . 15 1 1 A 32 32 ILE HA H 32 4.830 5.119 -0.289 1
1 395 . 15 1 1 A 32 32 ILE CA C 32 59.205 59.754 -0.549 1
1 396 . 15 1 1 A 32 32 ILE CB C 32 42.206 42.047 0.159 1
1 400 . 15 1 1 A 32 32 ILE N N 32 127.930 125.893 2.037 1
1 401 . 15 1 1 A 33 33 GLU H H 33 9.089 9.147 -0.058 1
1 402 . 15 1 1 A 33 33 GLU HA H 33 4.674 5.139 -0.465 1
1 407 . 15 1 1 A 33 33 GLU CA C 33 55.047 54.527 0.520 1
1 408 . 15 1 1 A 33 33 GLU CB C 33 31.851 32.795 -0.944 1
1 410 . 15 1 1 A 33 33 GLU N N 33 128.159 125.474 2.685 1
1 411 . 15 1 1 A 34 34 GLN H H 34 8.705 8.731 -0.026 1
1 412 . 15 1 1 A 34 34 GLN HA H 34 4.362 4.382 -0.020 1
1 419 . 15 1 1 A 34 34 GLN CA C 34 56.933 55.723 1.210 1
1 420 . 15 1 1 A 34 34 GLN CB C 34 30.273 28.368 1.905 1
1 422 . 15 1 1 A 34 34 GLN N N 34 128.144 126.208 1.936 1
1 424 . 15 1 1 A 35 35 ASP H H 35 8.488 8.283 0.205 1
1 425 . 15 1 1 A 35 35 ASP HA H 35 4.608 4.410 0.198 1
1 428 . 15 1 1 A 35 35 ASP CA C 35 54.124 54.856 -0.732 1
1 429 . 15 1 1 A 35 35 ASP CB C 35 41.702 39.462 2.240 1
1 430 . 15 1 1 A 35 35 ASP N N 35 122.441 118.357 4.084 1
1 431 . 15 1 1 A 36 36 GLN H H 36 8.604 8.477 0.127 1
1 432 . 15 1 1 A 36 36 GLN HA H 36 4.021 4.746 -0.725 1
1 439 . 15 1 1 A 36 36 GLN CA C 36 57.273 54.658 2.615 1
1 440 . 15 1 1 A 36 36 GLN CB C 36 29.266 28.919 0.347 1
1 442 . 15 1 1 A 36 36 GLN N N 36 123.042 121.731 1.311 1
1 444 . 15 1 1 A 37 37 ALA H H 37 8.313 7.684 0.629 1
1 445 . 15 1 1 A 37 37 ALA HA H 37 4.212 4.055 0.157 1
1 449 . 15 1 1 A 37 37 ALA CA C 37 53.708 55.215 -1.507 1
1 450 . 15 1 1 A 37 37 ALA CB C 37 18.949 18.620 0.329 1
1 451 . 15 1 1 A 37 37 ALA N N 37 122.748 124.649 -1.901 1
1 452 . 15 1 1 A 38 38 SER H H 38 7.949 8.028 -0.079 1
1 453 . 15 1 1 A 38 38 SER HA H 38 4.285 4.404 -0.119 1
1 456 . 15 1 1 A 38 38 SER CA C 38 59.468 60.744 -1.276 1
1 457 . 15 1 1 A 38 38 SER CB C 38 63.874 63.084 0.790 1
1 458 . 15 1 1 A 38 38 SER N N 38 113.828 113.828 0.000 1
1 459 . 15 1 1 A 39 39 LYS H H 39 8.107 8.036 0.071 1
1 460 . 15 1 1 A 39 39 LYS HA H 39 4.124 4.009 0.115 1
1 469 . 15 1 1 A 39 39 LYS CA C 39 57.821 59.712 -1.891 1
1 470 . 15 1 1 A 39 39 LYS CB C 39 32.978 32.435 0.543 1
1 474 . 15 1 1 A 39 39 LYS N N 39 122.900 122.669 0.231 1
1 475 . 15 1 1 A 40 40 ASP H H 40 8.173 7.969 0.204 1
1 476 . 15 1 1 A 40 40 ASP HA H 40 4.477 4.397 0.080 1
1 479 . 15 1 1 A 40 40 ASP CA C 40 55.164 57.276 -2.112 1
1 480 . 15 1 1 A 40 40 ASP CB C 40 41.359 41.049 0.310 1
1 481 . 15 1 1 A 40 40 ASP N N 40 119.696 119.318 0.378 1
1 482 . 15 1 1 A 41 41 PHE H H 41 8.022 8.411 -0.389 1
1 483 . 15 1 1 A 41 41 PHE HA H 41 4.376 4.071 0.305 1
1 488 . 15 1 1 A 41 41 PHE CA C 41 59.354 61.110 -1.756 1
1 489 . 15 1 1 A 41 41 PHE CB C 41 39.414 39.172 0.242 1
1 490 . 15 1 1 A 41 41 PHE N N 41 121.310 119.992 1.318 1
1 491 . 15 1 1 A 42 42 ASN H H 42 8.247 8.847 -0.600 1
1 492 . 15 1 1 A 42 42 ASN HA H 42 4.483 4.409 0.074 1
1 497 . 15 1 1 A 42 42 ASN CA C 42 54.383 56.186 -1.803 1
1 498 . 15 1 1 A 42 42 ASN CB C 42 38.853 38.891 -0.038 1
1 499 . 15 1 1 A 42 42 ASN N N 42 119.282 117.245 2.037 1
1 501 . 15 1 1 A 43 43 ARG H H 43 8.048 7.687 0.361 1
1 502 . 15 1 1 A 43 43 ARG HA H 43 4.130 4.055 0.075 1
1 509 . 15 1 1 A 43 43 ARG CA C 43 57.429 59.090 -1.661 1
1 510 . 15 1 1 A 43 43 ARG CB C 43 30.503 29.852 0.651 1
1 513 . 15 1 1 A 43 43 ARG N N 43 121.050 118.553 2.497 1
1 514 . 15 1 1 A 44 44 SER H H 44 8.111 8.284 -0.173 1
1 515 . 15 1 1 A 44 44 SER HA H 44 4.262 4.224 0.038 1
1 518 . 15 1 1 A 44 44 SER CA C 44 59.660 61.314 -1.654 1
1 519 . 15 1 1 A 44 44 SER CB C 44 63.810 62.468 1.342 1
1 520 . 15 1 1 A 44 44 SER N N 44 115.587 114.427 1.160 1
1 521 . 15 1 1 A 45 45 LYS H H 45 7.968 7.435 0.533 1
1 522 . 15 1 1 A 45 45 LYS HA H 45 4.132 4.131 0.001 1
1 526 . 15 1 1 A 45 45 LYS CA C 45 57.193 58.037 -0.844 1
1 527 . 15 1 1 A 45 45 LYS CB C 45 32.534 32.063 0.471 1
1 529 . 15 1 1 A 45 45 LYS N N 45 122.205 119.758 2.447 1
1 530 . 15 1 1 A 46 46 ALA H H 46 7.936 8.234 -0.298 1
1 531 . 15 1 1 A 46 46 ALA HA H 46 4.179 4.538 -0.359 1
1 535 . 15 1 1 A 46 46 ALA CA C 46 53.196 51.414 1.782 1
1 536 . 15 1 1 A 46 46 ALA CB C 46 19.279 20.679 -1.400 1
1 537 . 15 1 1 A 46 46 ALA N N 46 123.430 121.137 2.293 1
1 538 . 15 1 1 A 47 47 LEU H H 47 7.873 7.437 0.436 1
1 539 . 15 1 1 A 47 47 LEU HA H 47 4.147 4.256 -0.109 1
1 549 . 15 1 1 A 47 47 LEU CA C 47 55.854 55.970 -0.116 1
1 550 . 15 1 1 A 47 47 LEU CB C 47 42.536 42.505 0.031 1
1 554 . 15 1 1 A 47 47 LEU N N 47 119.760 120.025 -0.265 1
1 555 . 15 1 1 A 48 48 PHE H H 48 7.960 8.506 -0.546 1
1 556 . 15 1 1 A 48 48 PHE HA H 48 4.540 4.077 0.463 1
1 561 . 15 1 1 A 48 48 PHE CA C 48 58.150 60.558 -2.408 1
1 562 . 15 1 1 A 48 48 PHE CB C 48 39.499 36.855 2.644 1
1 563 . 15 1 1 A 48 48 PHE N N 48 119.481 117.509 1.972 1
1 564 . 15 1 1 A 49 49 SER H H 49 8.011 8.075 -0.064 1
1 565 . 15 1 1 A 49 49 SER HA H 49 4.333 4.407 -0.074 1
1 566 . 15 1 1 A 49 49 SER CA C 49 58.675 59.598 -0.923 1
1 567 . 15 1 1 A 49 49 SER N N 49 116.263 117.074 -0.811 1
1 568 . 15 1 1 A 50 50 GLN H H 50 8.252 8.965 -0.713 1
1 569 . 15 1 1 A 50 50 GLN HA H 50 4.250 3.987 0.263 1
1 576 . 15 1 1 A 50 50 GLN CA C 50 56.570 58.638 -2.068 1
1 577 . 15 1 1 A 50 50 GLN CB C 50 29.372 28.124 1.248 1
1 579 . 15 1 1 A 50 50 GLN N N 50 121.890 124.833 -2.943 1
1 581 . 15 1 1 A 51 51 SER H H 51 8.143 8.311 -0.168 1
1 582 . 15 1 1 A 51 51 SER HA H 51 4.332 4.207 0.125 1
1 583 . 15 1 1 A 51 51 SER CA C 51 58.848 61.184 -2.336 1
1 584 . 15 1 1 A 51 51 SER N N 51 115.677 115.417 0.260 1
1 585 . 15 1 1 A 52 52 ALA H H 52 8.168 7.968 0.200 1
1 586 . 15 1 1 A 52 52 ALA HA H 52 4.261 4.132 0.129 1
1 590 . 15 1 1 A 52 52 ALA CA C 52 53.119 54.243 -1.124 1
1 591 . 15 1 1 A 52 52 ALA CB C 52 19.175 18.312 0.863 1
1 592 . 15 1 1 A 52 52 ALA N N 52 125.354 122.865 2.489 1
1 593 . 15 1 1 A 53 53 ILE H H 53 7.858 7.141 0.717 1
1 594 . 15 1 1 A 53 53 ILE HA H 53 4.094 4.256 -0.162 1
1 604 . 15 1 1 A 53 53 ILE CA C 53 61.666 60.720 0.946 1
1 605 . 15 1 1 A 53 53 ILE CB C 53 39.015 38.242 0.773 1
1 609 . 15 1 1 A 53 53 ILE N N 53 118.218 114.588 3.630 1
1 610 . 15 1 1 A 54 54 SER H H 54 8.152 7.198 0.954 1
1 611 . 15 1 1 A 54 54 SER HA H 54 4.348 4.234 0.114 1
1 614 . 15 1 1 A 54 54 SER CA C 54 58.678 59.605 -0.927 1
1 615 . 15 1 1 A 54 54 SER CB C 54 64.002 63.770 0.232 1
1 616 . 15 1 1 A 54 54 SER N N 54 118.590 118.085 0.505 1
1 617 . 15 1 1 A 55 55 GLN H H 55 8.298 8.585 -0.287 1
1 618 . 15 1 1 A 55 55 GLN HA H 55 4.198 1.743 2.455 1
1 625 . 15 1 1 A 55 55 GLN CA C 55 56.690 57.054 -0.364 1
1 626 . 15 1 1 A 55 55 GLN CB C 55 29.393 28.356 1.037 1
1 628 . 15 1 1 A 55 55 GLN N N 55 122.154 123.936 -1.782 1
1 630 . 15 1 1 A 56 56 LYS H H 56 8.153 7.745 0.408 1
1 631 . 15 1 1 A 56 56 LYS HA H 56 4.161 4.333 -0.172 1
1 636 . 15 1 1 A 56 56 LYS CA C 56 57.174 57.466 -0.292 1
1 637 . 15 1 1 A 56 56 LYS CB C 56 32.991 33.245 -0.254 1
1 639 . 15 1 1 A 56 56 LYS N N 56 121.127 116.817 4.310 1
1 640 . 15 1 1 A 57 57 GLU H H 57 8.201 8.021 0.180 1
1 641 . 15 1 1 A 57 57 GLU HA H 57 4.151 4.376 -0.225 1
1 646 . 15 1 1 A 57 57 GLU CA C 57 57.273 57.518 -0.245 1
1 647 . 15 1 1 A 57 57 GLU CB C 57 30.262 30.276 -0.014 1
1 649 . 15 1 1 A 57 57 GLU N N 57 120.626 118.579 2.047 1
1 650 . 15 1 1 A 58 58 TYR H H 58 8.057 8.321 -0.264 1
1 651 . 15 1 1 A 58 58 TYR HA H 58 4.375 4.411 -0.036 1
1 658 . 15 1 1 A 58 58 TYR CA C 58 58.721 59.214 -0.493 1
1 659 . 15 1 1 A 58 58 TYR CB C 58 39.096 37.206 1.890 1
1 660 . 15 1 1 A 58 58 TYR N N 58 120.841 119.054 1.787 1
1 661 . 15 1 1 A 59 59 ASP H H 59 8.144 8.555 -0.411 1
1 662 . 15 1 1 A 59 59 ASP HA H 59 4.493 4.381 0.112 1
1 665 . 15 1 1 A 59 59 ASP CA C 59 54.505 57.470 -2.965 1
1 666 . 15 1 1 A 59 59 ASP CB C 59 41.233 42.150 -0.917 1
1 667 . 15 1 1 A 59 59 ASP N N 59 122.549 123.085 -0.536 1
1 668 . 15 1 1 A 60 60 SER H H 60 8.245 7.949 0.296 1
1 669 . 15 1 1 A 60 60 SER HA H 60 4.255 4.264 -0.009 1
1 670 . 15 1 1 A 60 60 SER CA C 60 59.650 60.867 -1.217 1
1 671 . 15 1 1 A 60 60 SER N N 60 117.646 115.778 1.868 1
1 672 . 15 1 1 A 61 61 SER H H 61 8.329 8.179 0.150 1
1 673 . 15 1 1 A 61 61 SER HA H 61 4.307 4.490 -0.183 1
1 676 . 15 1 1 A 61 61 SER CA C 61 59.882 58.752 1.130 1
1 677 . 15 1 1 A 61 61 SER CB C 61 63.888 64.212 -0.324 1
1 678 . 15 1 1 A 61 61 SER N N 61 118.138 114.531 3.607 1
1 679 . 15 1 1 A 62 62 LEU H H 62 7.753 7.470 0.283 1
1 680 . 15 1 1 A 62 62 LEU HA H 62 4.227 4.229 -0.002 1
1 690 . 15 1 1 A 62 62 LEU CA C 62 55.640 55.073 0.567 1
1 691 . 15 1 1 A 62 62 LEU CB C 62 42.389 42.033 0.356 1
1 695 . 15 1 1 A 62 62 LEU N N 62 122.616 118.565 4.051 1
1 696 . 15 1 1 A 63 63 ALA H H 63 7.908 7.560 0.348 1
1 697 . 15 1 1 A 63 63 ALA HA H 63 4.266 4.578 -0.312 1
1 701 . 15 1 1 A 63 63 ALA CA C 63 53.071 51.297 1.774 1
1 702 . 15 1 1 A 63 63 ALA CB C 63 19.373 22.814 -3.441 1
1 703 . 15 1 1 A 63 63 ALA N N 63 123.326 118.634 4.692 1
1 704 . 15 1 1 A 64 64 THR H H 64 7.855 8.554 -0.699 1
1 705 . 15 1 1 A 64 64 THR HA H 64 4.212 4.459 -0.247 1
1 710 . 15 1 1 A 64 64 THR CA C 64 61.955 61.972 -0.017 1
1 711 . 15 1 1 A 64 64 THR CB C 64 69.997 69.662 0.335 1
1 713 . 15 1 1 A 64 64 THR N N 64 112.019 112.632 -0.613 1
1 714 . 15 1 1 A 65 65 LEU H H 65 7.970 8.823 -0.853 1
1 715 . 15 1 1 A 65 65 LEU HA H 65 4.290 4.187 0.103 1
1 725 . 15 1 1 A 65 65 LEU CA C 65 55.509 54.801 0.708 1
1 726 . 15 1 1 A 65 65 LEU CB C 65 42.619 41.893 0.726 1
1 730 . 15 1 1 A 65 65 LEU N N 65 123.564 124.046 -0.482 1
1 731 . 15 1 1 A 66 66 ASP H H 66 8.271 8.163 0.108 1
1 732 . 15 1 1 A 66 66 ASP HA H 66 4.538 4.253 0.285 1
1 735 . 15 1 1 A 66 66 ASP CA C 66 54.906 54.874 0.032 1
1 736 . 15 1 1 A 66 66 ASP CB C 66 41.384 38.447 2.937 1
1 737 . 15 1 1 A 66 66 ASP N N 66 120.385 117.881 2.504 1
1 738 . 15 1 1 A 67 67 HIS H H 67 8.020 7.774 0.246 1
1 739 . 15 1 1 A 67 67 HIS HA H 67 5.236 5.005 0.231 1
1 744 . 15 1 1 A 67 67 HIS CA C 67 55.411 56.839 -1.428 1
1 745 . 15 1 1 A 67 67 HIS CB C 67 32.135 30.747 1.388 1
1 746 . 15 1 1 A 67 67 HIS N N 67 119.214 118.265 0.949 1
1 747 . 15 1 1 A 68 68 THR H H 68 8.903 8.880 0.023 1
1 748 . 15 1 1 A 68 68 THR HA H 68 4.474 4.941 -0.467 1
1 753 . 15 1 1 A 68 68 THR CA C 68 62.536 60.743 1.793 1
1 754 . 15 1 1 A 68 68 THR CB C 68 71.267 73.044 -1.777 1
1 756 . 15 1 1 A 68 68 THR N N 68 117.138 115.278 1.860 1
1 757 . 15 1 1 A 69 69 GLU H H 69 8.630 8.659 -0.029 1
1 758 . 15 1 1 A 69 69 GLU HA H 69 4.480 5.301 -0.821 1
1 763 . 15 1 1 A 69 69 GLU CA C 69 56.016 54.671 1.345 1
1 764 . 15 1 1 A 69 69 GLU CB C 69 31.824 33.270 -1.446 1
1 766 . 15 1 1 A 69 69 GLU N N 69 124.226 122.076 2.150 1
1 767 . 15 1 1 A 70 70 ILE H H 70 8.589 8.835 -0.246 1
1 768 . 15 1 1 A 70 70 ILE HA H 70 4.405 5.097 -0.692 1
1 778 . 15 1 1 A 70 70 ILE CA C 70 59.367 59.972 -0.605 1
1 779 . 15 1 1 A 70 70 ILE CB C 70 37.492 40.868 -3.376 1
1 783 . 15 1 1 A 70 70 ILE N N 70 123.526 121.399 2.127 1
1 784 . 15 1 1 A 71 71 LYS H H 71 8.910 8.533 0.377 1
1 785 . 15 1 1 A 71 71 LYS HA H 71 5.070 5.005 0.065 1
1 790 . 15 1 1 A 71 71 LYS CA C 71 54.732 54.339 0.393 1
1 791 . 15 1 1 A 71 71 LYS CB C 71 36.388 36.145 0.243 1
1 793 . 15 1 1 A 71 71 LYS N N 71 128.313 125.368 2.945 1
1 794 . 15 1 1 A 72 72 ALA H H 72 8.623 8.792 -0.169 1
1 795 . 15 1 1 A 72 72 ALA HA H 72 4.060 4.322 -0.262 1
1 799 . 15 1 1 A 72 72 ALA CA C 72 50.119 51.070 -0.951 1
1 800 . 15 1 1 A 72 72 ALA CB C 72 17.261 17.738 -0.477 1
1 801 . 15 1 1 A 72 72 ALA N N 72 123.091 125.257 -2.166 1
1 802 . 15 1 1 A 73 73 PRO HA H 73 4.328 4.482 -0.154 1
1 809 . 15 1 1 A 73 73 PRO CA C 73 63.731 64.367 -0.636 1
1 810 . 15 1 1 A 73 73 PRO CB C 73 32.196 31.968 0.228 1
1 813 . 15 1 1 A 74 74 PHE H H 74 6.758 6.966 -0.208 1
1 814 . 15 1 1 A 74 74 PHE HA H 74 4.414 4.896 -0.482 1
1 821 . 15 1 1 A 74 74 PHE CA C 74 54.539 56.249 -1.710 1
1 822 . 15 1 1 A 74 74 PHE CB C 74 40.862 40.288 0.574 1
1 823 . 15 1 1 A 74 74 PHE N N 74 112.045 113.347 -1.302 1
1 824 . 15 1 1 A 75 75 ASP H H 75 8.563 8.922 -0.359 1
1 825 . 15 1 1 A 75 75 ASP HA H 75 4.915 4.616 0.299 1
1 828 . 15 1 1 A 75 75 ASP CA C 75 54.108 55.639 -1.531 1
1 829 . 15 1 1 A 75 75 ASP CB C 75 41.011 40.999 0.012 1
1 830 . 15 1 1 A 75 75 ASP N N 75 118.284 120.694 -2.410 1
1 831 . 15 1 1 A 76 76 GLY H H 76 8.340 8.498 -0.158 1
1 832 . 15 1 1 A 76 76 GLY HA2 H 76 4.228 4.321 -0.093 1
1 833 . 15 1 1 A 76 76 GLY HA3 H 76 4.070 4.367 -0.297 1
1 834 . 15 1 1 A 76 76 GLY CA C 76 46.761 46.038 0.723 1
1 835 . 15 1 1 A 76 76 GLY N N 76 108.739 111.815 -3.076 1
1 836 . 15 1 1 A 77 77 THR H H 77 8.607 8.906 -0.299 1
1 837 . 15 1 1 A 77 77 THR HA H 77 4.966 5.296 -0.330 1
1 842 . 15 1 1 A 77 77 THR CA C 77 61.891 60.981 0.910 1
1 843 . 15 1 1 A 77 77 THR CB C 77 70.413 72.817 -2.404 1
1 845 . 15 1 1 A 77 77 THR N N 77 116.423 115.594 0.829 1
1 846 . 15 1 1 A 78 78 ILE H H 78 8.815 8.766 0.049 1
1 847 . 15 1 1 A 78 78 ILE HA H 78 4.656 4.850 -0.194 1
1 857 . 15 1 1 A 78 78 ILE CA C 78 60.214 59.632 0.582 1
1 858 . 15 1 1 A 78 78 ILE CB C 78 43.110 42.312 0.798 1
1 862 . 15 1 1 A 78 78 ILE N N 78 129.313 122.650 6.663 1
1 863 . 15 1 1 A 79 79 GLY H H 79 8.052 8.956 -0.904 1
1 864 . 15 1 1 A 79 79 GLY HA2 H 79 4.394 4.145 0.249 1
1 865 . 15 1 1 A 79 79 GLY HA3 H 79 3.765 4.150 -0.385 1
1 866 . 15 1 1 A 79 79 GLY CA C 79 44.297 44.230 0.067 1
1 867 . 15 1 1 A 79 79 GLY N N 79 114.522 116.310 -1.788 1
1 868 . 15 1 1 A 80 80 ASP H H 80 7.792 8.533 -0.741 1
1 869 . 15 1 1 A 80 80 ASP HA H 80 4.706 4.559 0.147 1
1 872 . 15 1 1 A 80 80 ASP CA C 80 53.784 54.630 -0.846 1
1 873 . 15 1 1 A 80 80 ASP CB C 80 42.062 40.913 1.149 1
1 874 . 15 1 1 A 80 80 ASP N N 80 113.706 119.007 -5.301 1
1 875 . 15 1 1 A 81 81 ALA H H 81 8.552 8.751 -0.199 1
1 876 . 15 1 1 A 81 81 ALA HA H 81 4.567 4.643 -0.076 1
1 880 . 15 1 1 A 81 81 ALA CA C 81 53.345 52.898 0.447 1
1 881 . 15 1 1 A 81 81 ALA CB C 81 20.325 19.427 0.898 1
1 882 . 15 1 1 A 81 81 ALA N N 81 124.168 126.376 -2.208 1
1 883 . 15 1 1 A 82 82 LEU H H 82 8.734 9.503 -0.769 1
1 884 . 15 1 1 A 82 82 LEU HA H 82 4.338 4.765 -0.427 1
1 893 . 15 1 1 A 82 82 LEU CA C 82 55.320 54.753 0.567 1
1 894 . 15 1 1 A 82 82 LEU CB C 82 41.616 43.279 -1.663 1
1 897 . 15 1 1 A 82 82 LEU N N 82 121.830 121.925 -0.095 1
1 898 . 15 1 1 A 83 83 VAL H H 83 7.136 7.690 -0.554 1
1 899 . 15 1 1 A 83 83 VAL HA H 83 4.489 4.973 -0.484 1
1 907 . 15 1 1 A 83 83 VAL CA C 83 58.552 58.636 -0.084 1
1 908 . 15 1 1 A 83 83 VAL CB C 83 35.418 36.267 -0.849 1
1 911 . 15 1 1 A 83 83 VAL N N 83 108.193 113.694 -5.501 1
1 912 . 15 1 1 A 84 84 ASN H H 84 9.073 8.929 0.144 1
1 913 . 15 1 1 A 84 84 ASN HA H 84 4.872 5.387 -0.515 1
1 918 . 15 1 1 A 84 84 ASN CA C 84 51.417 51.517 -0.100 1
1 919 . 15 1 1 A 84 84 ASN CB C 84 42.127 42.494 -0.367 1
1 920 . 15 1 1 A 84 84 ASN N N 84 119.533 118.353 1.180 1
1 922 . 15 1 1 A 85 85 ILE H H 85 8.390 8.528 -0.138 1
1 923 . 15 1 1 A 85 85 ILE HA H 85 3.384 3.768 -0.384 1
1 933 . 15 1 1 A 85 85 ILE CA C 85 63.985 63.721 0.264 1
1 934 . 15 1 1 A 85 85 ILE CB C 85 37.368 37.195 0.173 1
1 938 . 15 1 1 A 85 85 ILE N N 85 119.414 121.549 -2.135 1
1 939 . 15 1 1 A 86 86 GLY H H 86 9.229 8.467 0.762 1
1 940 . 15 1 1 A 86 86 GLY HA2 H 86 4.392 4.047 0.345 1
1 941 . 15 1 1 A 86 86 GLY HA3 H 86 3.412 4.051 -0.639 1
1 942 . 15 1 1 A 86 86 GLY CA C 86 44.946 45.033 -0.087 1
1 943 . 15 1 1 A 86 86 GLY N N 86 117.337 115.499 1.838 1
1 944 . 15 1 1 A 87 87 ASP H H 87 7.956 8.335 -0.379 1
1 945 . 15 1 1 A 87 87 ASP HA H 87 4.599 4.614 -0.015 1
1 948 . 15 1 1 A 87 87 ASP CA C 87 55.055 54.995 0.060 1
1 949 . 15 1 1 A 87 87 ASP CB C 87 40.978 41.222 -0.244 1
1 950 . 15 1 1 A 87 87 ASP N N 87 121.511 122.062 -0.551 1
1 951 . 15 1 1 A 88 88 TYR H H 88 8.545 8.854 -0.309 1
1 952 . 15 1 1 A 88 88 TYR HA H 88 4.718 4.702 0.016 1
1 959 . 15 1 1 A 88 88 TYR CA C 88 57.954 56.922 1.032 1
1 960 . 15 1 1 A 88 88 TYR CB C 88 39.411 38.691 0.720 1
1 961 . 15 1 1 A 88 88 TYR N N 88 122.327 127.725 -5.398 1
1 962 . 15 1 1 A 89 89 VAL H H 89 8.937 8.204 0.733 1
1 963 . 15 1 1 A 89 89 VAL HA H 89 4.565 4.887 -0.322 1
1 971 . 15 1 1 A 89 89 VAL CA C 89 58.580 59.633 -1.053 1
1 972 . 15 1 1 A 89 89 VAL CB C 89 34.504 33.784 0.720 1
1 975 . 15 1 1 A 89 89 VAL N N 89 121.838 123.152 -1.314 1
1 976 . 15 1 1 A 90 90 SER H H 90 8.761 8.513 0.248 1
1 977 . 15 1 1 A 90 90 SER HA H 90 4.562 5.123 -0.561 1
1 980 . 15 1 1 A 90 90 SER CA C 90 56.974 55.924 1.050 1
1 981 . 15 1 1 A 90 90 SER CB C 90 65.027 65.927 -0.900 1
1 982 . 15 1 1 A 90 90 SER N N 90 114.806 117.983 -3.177 1
1 983 . 15 1 1 A 91 91 ALA H H 91 8.692 8.820 -0.128 1
1 984 . 15 1 1 A 91 91 ALA HA H 91 3.505 3.961 -0.456 1
1 988 . 15 1 1 A 91 91 ALA CA C 91 53.471 55.746 -2.275 1
1 989 . 15 1 1 A 91 91 ALA CB C 91 18.719 18.839 -0.120 1
1 990 . 15 1 1 A 91 91 ALA N N 91 129.873 130.612 -0.739 1
1 991 . 15 1 1 A 92 92 SER H H 92 9.156 7.935 1.221 1
1 992 . 15 1 1 A 92 92 SER HA H 92 3.804 4.516 -0.712 1
1 995 . 15 1 1 A 92 92 SER CA C 92 60.827 58.651 2.176 1
1 996 . 15 1 1 A 92 92 SER CB C 92 62.630 63.807 -1.177 1
1 997 . 15 1 1 A 92 92 SER N N 92 113.297 114.096 -0.799 1
1 998 . 15 1 1 A 93 93 THR H H 93 7.806 7.520 0.286 1
1 999 . 15 1 1 A 93 93 THR HA H 93 4.387 4.363 0.024 1
1 1004 . 15 1 1 A 93 93 THR CA C 93 64.607 63.395 1.212 1
1 1005 . 15 1 1 A 93 93 THR CB C 93 71.127 70.048 1.079 1
1 1007 . 15 1 1 A 93 93 THR N N 93 113.896 113.810 0.086 1
1 1008 . 15 1 1 A 94 94 THR H H 94 7.691 7.164 0.527 1
1 1009 . 15 1 1 A 94 94 THR HA H 94 3.899 4.486 -0.587 1
1 1014 . 15 1 1 A 94 94 THR CA C 94 65.258 62.393 2.865 1
1 1015 . 15 1 1 A 94 94 THR CB C 94 70.283 71.318 -1.035 1
1 1017 . 15 1 1 A 94 94 THR N N 94 119.603 111.107 8.496 1
1 1018 . 15 1 1 A 95 95 GLU H H 95 8.389 7.999 0.390 1
1 1019 . 15 1 1 A 95 95 GLU HA H 95 3.793 4.178 -0.385 1
1 1024 . 15 1 1 A 95 95 GLU CA C 95 56.783 57.540 -0.757 1
1 1025 . 15 1 1 A 95 95 GLU CB C 95 29.777 28.625 1.152 1
1 1027 . 15 1 1 A 95 95 GLU N N 95 124.816 118.298 6.518 1
1 1028 . 15 1 1 A 96 96 LEU H H 96 8.735 8.212 0.523 1
1 1029 . 15 1 1 A 96 96 LEU HA H 96 4.249 4.251 -0.002 1
1 1039 . 15 1 1 A 96 96 LEU CA C 96 57.071 55.652 1.419 1
1 1040 . 15 1 1 A 96 96 LEU CB C 96 43.517 42.219 1.298 1
1 1044 . 15 1 1 A 96 96 LEU N N 96 120.104 125.601 -5.497 1
1 1045 . 15 1 1 A 97 97 VAL H H 97 7.049 7.296 -0.247 1
1 1046 . 15 1 1 A 97 97 VAL HA H 97 4.334 4.349 -0.015 1
1 1054 . 15 1 1 A 97 97 VAL CA C 97 61.411 60.985 0.426 1
1 1055 . 15 1 1 A 97 97 VAL CB C 97 31.724 34.368 -2.644 1
1 1058 . 15 1 1 A 97 97 VAL N N 97 112.399 114.220 -1.821 1
1 1059 . 15 1 1 A 98 98 ARG H H 98 8.968 8.385 0.583 1
1 1060 . 15 1 1 A 98 98 ARG HA H 98 5.255 5.102 0.153 1
1 1067 . 15 1 1 A 98 98 ARG CA C 98 55.391 55.256 0.135 1
1 1068 . 15 1 1 A 98 98 ARG CB C 98 32.925 31.396 1.529 1
1 1071 . 15 1 1 A 98 98 ARG N N 98 127.489 124.093 3.396 1
1 1072 . 15 1 1 A 99 99 VAL H H 99 8.884 8.880 0.004 1
1 1073 . 15 1 1 A 99 99 VAL HA H 99 4.554 4.598 -0.044 1
1 1078 . 15 1 1 A 99 99 VAL CA C 99 60.996 61.494 -0.498 1
1 1079 . 15 1 1 A 99 99 VAL CB C 99 34.358 32.926 1.432 1
1 1081 . 15 1 1 A 99 99 VAL N N 99 122.863 124.209 -1.346 1
1 1082 . 15 1 1 A 100 100 THR H H 100 8.823 9.057 -0.234 1
1 1083 . 15 1 1 A 100 100 THR HA H 100 4.552 5.088 -0.536 1
1 1088 . 15 1 1 A 100 100 THR CA C 100 61.105 60.571 0.534 1
1 1089 . 15 1 1 A 100 100 THR CB C 100 70.859 72.303 -1.444 1
1 1091 . 15 1 1 A 100 100 THR N N 100 121.813 119.014 2.799 1
1 1092 . 15 1 1 A 101 101 ASN H H 101 8.146 8.950 -0.804 1
1 1093 . 15 1 1 A 101 101 ASN HA H 101 4.505 4.877 -0.372 1
1 1098 . 15 1 1 A 101 101 ASN CA C 101 54.283 53.644 0.639 1
1 1099 . 15 1 1 A 101 101 ASN CB C 101 38.631 40.400 -1.769 1
1 1100 . 15 1 1 A 101 101 ASN N N 101 122.582 125.267 -2.685 1
1 1102 . 15 1 1 A 102 102 LEU H H 102 8.154 8.946 -0.792 1
1 1103 . 15 1 1 A 102 102 LEU HA H 102 4.236 4.311 -0.075 1
1 1113 . 15 1 1 A 102 102 LEU CA C 102 55.618 57.157 -1.539 1
1 1114 . 15 1 1 A 102 102 LEU CB C 102 42.842 42.446 0.396 1
1 1118 . 15 1 1 A 102 102 LEU N N 102 122.572 126.585 -4.013 1
1 1119 . 15 1 1 A 103 103 ASN H H 103 8.393 8.246 0.147 1
1 1120 . 15 1 1 A 103 103 ASN HA H 103 4.862 5.238 -0.376 1
1 1125 . 15 1 1 A 103 103 ASN CA C 103 51.431 49.875 1.556 1
1 1126 . 15 1 1 A 103 103 ASN CB C 103 39.172 40.522 -1.350 1
1 1127 . 15 1 1 A 103 103 ASN N N 103 120.155 115.777 4.378 1
1 1129 . 15 1 1 A 104 104 PRO HA H 104 4.224 4.680 -0.456 1
1 1136 . 15 1 1 A 104 104 PRO CA C 104 63.636 63.849 -0.213 1
1 1137 . 15 1 1 A 104 104 PRO CB C 104 32.301 32.617 -0.316 1
1 1140 . 15 1 1 A 105 105 ILE H H 105 7.870 8.144 -0.274 1
1 1141 . 15 1 1 A 105 105 ILE HA H 105 3.934 3.904 0.030 1
1 1151 . 15 1 1 A 105 105 ILE CA C 105 61.566 62.377 -0.811 1
1 1152 . 15 1 1 A 105 105 ILE CB C 105 38.723 37.112 1.611 1
1 1156 . 15 1 1 A 105 105 ILE N N 105 119.425 117.398 2.027 1
1 1157 . 15 1 1 A 106 106 TYR H H 106 7.945 7.414 0.531 1
1 1158 . 15 1 1 A 106 106 TYR HA H 106 4.529 4.753 -0.224 1
1 1165 . 15 1 1 A 106 106 TYR CA C 106 57.548 58.972 -1.424 1
1 1166 . 15 1 1 A 106 106 TYR CB C 106 39.048 40.853 -1.805 1
1 1167 . 15 1 1 A 106 106 TYR N N 106 123.138 120.231 2.907 1
1 1168 . 15 1 1 A 107 107 ALA H H 107 8.113 7.705 0.408 1
1 1169 . 15 1 1 A 107 107 ALA HA H 107 4.213 4.470 -0.257 1
1 1173 . 15 1 1 A 107 107 ALA CA C 107 52.847 51.562 1.285 1
1 1174 . 15 1 1 A 107 107 ALA CB C 107 19.450 22.854 -3.404 1
1 1175 . 15 1 1 A 107 107 ALA N N 107 125.476 118.206 7.270 1
1 1176 . 15 1 1 A 108 108 ASP H H 108 8.140 8.045 0.095 1
1 1177 . 15 1 1 A 108 108 ASP HA H 108 4.502 4.654 -0.152 1
1 1180 . 15 1 1 A 108 108 ASP CA C 108 54.515 52.758 1.757 1
1 1181 . 15 1 1 A 108 108 ASP CB C 108 41.436 39.555 1.881 1
1 1182 . 15 1 1 A 108 108 ASP N N 108 119.275 122.345 -3.070 1
1 1183 . 15 1 1 A 109 109 GLY H H 109 8.304 7.923 0.381 1
1 1184 . 15 1 1 A 109 109 GLY HA2 H 109 3.930 3.446 0.484 1
1 1185 . 15 1 1 A 109 109 GLY HA3 H 109 3.844 3.819 0.025 1
1 1186 . 15 1 1 A 109 109 GLY CA C 109 45.809 45.984 -0.175 1
1 1187 . 15 1 1 A 109 109 GLY N N 109 109.463 108.005 1.458 1
1 1188 . 15 1 1 A 110 110 SER H H 110 8.169 6.923 1.246 1
1 1189 . 15 1 1 A 110 110 SER HA H 110 4.263 4.580 -0.317 1
1 1190 . 15 1 1 A 110 110 SER CA C 110 59.017 56.559 2.458 1
1 1191 . 15 1 1 A 110 110 SER N N 110 115.630 113.665 1.965 1
1 1192 . 15 1 1 A 111 111 HIS HA H 111 4.522 4.518 0.004 1
1 1195 . 15 1 1 A 111 111 HIS CA C 111 56.269 56.817 -0.548 1
1 1196 . 15 1 1 A 111 111 HIS CB C 111 30.558 29.800 0.758 1
1 1197 . 15 1 1 A 112 112 HIS HA H 112 4.341 4.505 -0.164 1
1 1200 . 15 1 1 A 112 112 HIS CA C 112 57.660 55.241 2.419 1
1 2 . 16 1 1 A 2 2 VAL H H 2 8.608 8.913 -0.305 1
1 3 . 16 1 1 A 2 2 VAL HA H 2 4.472 4.774 -0.302 1
1 11 . 16 1 1 A 2 2 VAL CA C 2 61.161 60.476 0.685 1
1 12 . 16 1 1 A 2 2 VAL CB C 2 35.825 36.073 -0.248 1
1 15 . 16 1 1 A 2 2 VAL N N 2 117.995 125.702 -7.707 1
1 16 . 16 1 1 A 3 3 ILE H H 3 8.424 8.803 -0.379 1
1 17 . 16 1 1 A 3 3 ILE HA H 3 4.489 4.607 -0.118 1
1 27 . 16 1 1 A 3 3 ILE CA C 3 60.273 60.497 -0.224 1
1 28 . 16 1 1 A 3 3 ILE CB C 3 38.595 37.417 1.178 1
1 32 . 16 1 1 A 3 3 ILE N N 3 125.647 127.362 -1.715 1
1 33 . 16 1 1 A 4 4 ILE H H 4 8.531 8.653 -0.122 1
1 34 . 16 1 1 A 4 4 ILE HA H 4 3.990 4.045 -0.055 1
1 44 . 16 1 1 A 4 4 ILE CA C 4 61.656 61.911 -0.255 1
1 45 . 16 1 1 A 4 4 ILE CB C 4 38.183 38.708 -0.525 1
1 49 . 16 1 1 A 4 4 ILE N N 4 127.472 130.489 -3.017 1
1 50 . 16 1 1 A 5 5 LYS H H 5 8.277 8.817 -0.540 1
1 51 . 16 1 1 A 5 5 LYS HA H 5 5.164 4.727 0.437 1
1 60 . 16 1 1 A 5 5 LYS CA C 5 53.440 52.938 0.502 1
1 61 . 16 1 1 A 5 5 LYS CB C 5 33.808 35.402 -1.594 1
1 65 . 16 1 1 A 5 5 LYS N N 5 126.697 126.241 0.456 1
1 66 . 16 1 1 A 6 6 PRO HA H 6 4.370 4.738 -0.368 1
1 73 . 16 1 1 A 6 6 PRO CA C 6 62.493 62.297 0.196 1
1 74 . 16 1 1 A 6 6 PRO CB C 6 32.091 32.951 -0.860 1
1 77 . 16 1 1 A 7 7 GLN H H 7 9.334 8.298 1.036 1
1 78 . 16 1 1 A 7 7 GLN HA H 7 4.348 4.350 -0.002 1
1 85 . 16 1 1 A 7 7 GLN CA C 7 56.384 55.693 0.691 1
1 86 . 16 1 1 A 7 7 GLN CB C 7 28.934 28.929 0.005 1
1 88 . 16 1 1 A 7 7 GLN N N 7 119.944 118.791 1.153 1
1 90 . 16 1 1 A 8 8 VAL H H 8 7.021 7.385 -0.364 1
1 91 . 16 1 1 A 8 8 VAL HA H 8 4.476 4.899 -0.423 1
1 99 . 16 1 1 A 8 8 VAL CA C 8 58.999 58.826 0.173 1
1 100 . 16 1 1 A 8 8 VAL CB C 8 35.347 35.582 -0.235 1
1 103 . 16 1 1 A 8 8 VAL N N 8 111.118 115.399 -4.281 1
1 104 . 16 1 1 A 9 9 SER H H 9 8.155 8.611 -0.456 1
1 105 . 16 1 1 A 9 9 SER HA H 9 4.945 5.105 -0.160 1
1 108 . 16 1 1 A 9 9 SER CA C 9 56.704 56.283 0.421 1
1 109 . 16 1 1 A 9 9 SER CB C 9 64.645 65.837 -1.192 1
1 110 . 16 1 1 A 9 9 SER N N 9 114.983 115.856 -0.873 1
1 111 . 16 1 1 A 10 10 GLY H H 10 7.981 8.228 -0.247 1
1 112 . 16 1 1 A 10 10 GLY HA2 H 10 4.416 4.059 0.357 1
1 113 . 16 1 1 A 10 10 GLY HA3 H 10 3.643 4.116 -0.473 1
1 114 . 16 1 1 A 10 10 GLY CA C 10 45.433 44.792 0.641 1
1 115 . 16 1 1 A 10 10 GLY N N 10 108.602 107.341 1.261 1
1 116 . 16 1 1 A 11 11 VAL H H 11 8.018 7.979 0.039 1
1 117 . 16 1 1 A 11 11 VAL HA H 11 4.740 4.694 0.046 1
1 125 . 16 1 1 A 11 11 VAL CA C 11 60.580 60.547 0.033 1
1 126 . 16 1 1 A 11 11 VAL CB C 11 35.124 35.601 -0.477 1
1 129 . 16 1 1 A 11 11 VAL N N 11 118.346 120.177 -1.831 1
1 130 . 16 1 1 A 12 12 ILE H H 12 8.452 8.556 -0.104 1
1 131 . 16 1 1 A 12 12 ILE HA H 12 4.042 4.238 -0.196 1
1 141 . 16 1 1 A 12 12 ILE CA C 12 60.400 62.290 -1.890 1
1 142 . 16 1 1 A 12 12 ILE CB C 12 35.725 38.162 -2.437 1
1 146 . 16 1 1 A 12 12 ILE N N 12 125.267 125.716 -0.449 1
1 147 . 16 1 1 A 13 13 VAL H H 13 8.900 9.211 -0.311 1
1 148 . 16 1 1 A 13 13 VAL HA H 13 4.492 4.295 0.197 1
1 156 . 16 1 1 A 13 13 VAL CA C 13 62.168 63.339 -1.171 1
1 157 . 16 1 1 A 13 13 VAL CB C 13 33.406 33.818 -0.412 1
1 160 . 16 1 1 A 13 13 VAL N N 13 124.539 125.426 -0.887 1
1 161 . 16 1 1 A 14 14 ASN H H 14 7.649 7.917 -0.268 1
1 162 . 16 1 1 A 14 14 ASN HA H 14 4.805 5.124 -0.319 1
1 167 . 16 1 1 A 14 14 ASN CA C 14 52.950 52.201 0.749 1
1 168 . 16 1 1 A 14 14 ASN CB C 14 42.149 41.950 0.199 1
1 169 . 16 1 1 A 14 14 ASN N N 14 115.008 116.231 -1.223 1
1 171 . 16 1 1 A 15 15 LYS H H 15 8.393 8.566 -0.173 1
1 172 . 16 1 1 A 15 15 LYS HA H 15 4.640 4.788 -0.148 1
1 179 . 16 1 1 A 15 15 LYS CA C 15 55.987 54.900 1.087 1
1 180 . 16 1 1 A 15 15 LYS CB C 15 35.412 33.283 2.129 1
1 183 . 16 1 1 A 15 15 LYS N N 15 123.820 121.227 2.593 1
1 184 . 16 1 1 A 16 16 LEU H H 16 8.015 8.395 -0.380 1
1 185 . 16 1 1 A 16 16 LEU HA H 16 4.983 4.109 0.874 1
1 195 . 16 1 1 A 16 16 LEU CA C 16 55.202 57.555 -2.353 1
1 196 . 16 1 1 A 16 16 LEU CB C 16 41.471 42.384 -0.913 1
1 200 . 16 1 1 A 16 16 LEU N N 16 126.200 126.239 -0.039 1
1 201 . 16 1 1 A 17 17 PHE H H 17 6.522 7.174 -0.652 1
1 202 . 16 1 1 A 17 17 PHE HA H 17 4.858 4.484 0.374 1
1 210 . 16 1 1 A 17 17 PHE CA C 17 55.675 55.776 -0.101 1
1 211 . 16 1 1 A 17 17 PHE CB C 17 41.329 40.661 0.668 1
1 212 . 16 1 1 A 17 17 PHE N N 17 113.650 116.448 -2.798 1
1 213 . 16 1 1 A 18 18 LYS H H 18 8.648 8.749 -0.101 1
1 214 . 16 1 1 A 18 18 LYS HA H 18 4.325 4.391 -0.066 1
1 223 . 16 1 1 A 18 18 LYS CA C 18 54.442 53.972 0.470 1
1 224 . 16 1 1 A 18 18 LYS CB C 18 35.233 35.772 -0.539 1
1 228 . 16 1 1 A 18 18 LYS N N 18 120.586 117.986 2.600 1
1 229 . 16 1 1 A 19 19 ALA H H 19 8.396 8.343 0.053 1
1 230 . 16 1 1 A 19 19 ALA HA H 19 3.956 4.200 -0.244 1
1 234 . 16 1 1 A 19 19 ALA CA C 19 54.151 53.942 0.209 1
1 235 . 16 1 1 A 19 19 ALA CB C 19 18.681 18.298 0.383 1
1 236 . 16 1 1 A 19 19 ALA N N 19 123.901 126.885 -2.984 1
1 237 . 16 1 1 A 20 20 GLY H H 20 8.806 8.656 0.150 1
1 238 . 16 1 1 A 20 20 GLY HA2 H 20 4.299 3.984 0.315 1
1 239 . 16 1 1 A 20 20 GLY HA3 H 20 3.523 4.006 -0.483 1
1 240 . 16 1 1 A 20 20 GLY CA C 20 45.190 45.143 0.047 1
1 241 . 16 1 1 A 20 20 GLY N N 20 112.460 111.990 0.470 1
1 242 . 16 1 1 A 21 21 ASP H H 21 7.923 8.003 -0.080 1
1 243 . 16 1 1 A 21 21 ASP HA H 21 4.489 4.760 -0.271 1
1 246 . 16 1 1 A 21 21 ASP CA C 21 55.477 52.467 3.010 1
1 247 . 16 1 1 A 21 21 ASP CB C 21 41.593 42.471 -0.878 1
1 248 . 16 1 1 A 21 21 ASP N N 21 121.531 121.844 -0.313 1
1 249 . 16 1 1 A 22 22 LYS H H 22 8.292 8.208 0.084 1
1 250 . 16 1 1 A 22 22 LYS HA H 22 4.861 4.821 0.040 1
1 259 . 16 1 1 A 22 22 LYS CA C 22 55.789 54.507 1.282 1
1 260 . 16 1 1 A 22 22 LYS CB C 22 31.948 35.764 -3.816 1
1 264 . 16 1 1 A 22 22 LYS N N 22 120.223 119.391 0.832 1
1 265 . 16 1 1 A 23 23 VAL H H 23 8.929 8.916 0.013 1
1 266 . 16 1 1 A 23 23 VAL HA H 23 4.828 4.755 0.073 1
1 274 . 16 1 1 A 23 23 VAL CA C 23 58.619 59.287 -0.668 1
1 275 . 16 1 1 A 23 23 VAL CB C 23 34.776 35.561 -0.785 1
1 278 . 16 1 1 A 23 23 VAL N N 23 117.770 118.451 -0.681 1
1 279 . 16 1 1 A 24 24 LYS H H 24 7.952 8.335 -0.383 1
1 280 . 16 1 1 A 24 24 LYS HA H 24 4.828 4.576 0.252 1
1 289 . 16 1 1 A 24 24 LYS CA C 24 53.316 55.756 -2.440 1
1 290 . 16 1 1 A 24 24 LYS CB C 24 35.370 33.397 1.973 1
1 294 . 16 1 1 A 24 24 LYS N N 24 121.890 125.199 -3.309 1
1 295 . 16 1 1 A 25 25 LYS H H 25 8.903 8.928 -0.025 1
1 296 . 16 1 1 A 25 25 LYS HA H 25 3.152 4.057 -0.905 1
1 304 . 16 1 1 A 25 25 LYS CA C 25 58.780 57.497 1.283 1
1 305 . 16 1 1 A 25 25 LYS CB C 25 32.788 31.503 1.285 1
1 309 . 16 1 1 A 25 25 LYS N N 25 121.717 125.285 -3.568 1
1 310 . 16 1 1 A 26 26 GLY H H 26 8.887 9.030 -0.143 1
1 311 . 16 1 1 A 26 26 GLY HA2 H 26 4.277 3.954 0.323 1
1 312 . 16 1 1 A 26 26 GLY HA3 H 26 3.462 3.981 -0.519 1
1 313 . 16 1 1 A 26 26 GLY CA C 26 45.387 44.987 0.400 1
1 314 . 16 1 1 A 26 26 GLY N N 26 115.271 109.760 5.511 1
1 315 . 16 1 1 A 27 27 GLN H H 27 8.423 8.007 0.416 1
1 316 . 16 1 1 A 27 27 GLN HA H 27 4.134 4.331 -0.197 1
1 323 . 16 1 1 A 27 27 GLN CA C 27 56.461 56.184 0.277 1
1 324 . 16 1 1 A 27 27 GLN CB C 27 30.655 28.984 1.671 1
1 326 . 16 1 1 A 27 27 GLN N N 27 123.160 120.113 3.047 1
1 328 . 16 1 1 A 28 28 THR H H 28 9.094 8.815 0.279 1
1 329 . 16 1 1 A 28 28 THR HA H 28 3.884 4.178 -0.294 1
1 334 . 16 1 1 A 28 28 THR CA C 28 66.017 64.168 1.849 1
1 335 . 16 1 1 A 28 28 THR CB C 28 68.577 69.218 -0.641 1
1 337 . 16 1 1 A 28 28 THR N N 28 124.723 118.868 5.855 1
1 338 . 16 1 1 A 29 29 LEU H H 29 9.499 9.411 0.088 1
1 339 . 16 1 1 A 29 29 LEU HA H 29 4.373 4.413 -0.040 1
1 349 . 16 1 1 A 29 29 LEU CA C 29 55.960 55.657 0.303 1
1 350 . 16 1 1 A 29 29 LEU CB C 29 44.601 43.364 1.237 1
1 354 . 16 1 1 A 29 29 LEU N N 29 125.894 127.092 -1.198 1
1 355 . 16 1 1 A 30 30 PHE H H 30 7.572 7.585 -0.013 1
1 356 . 16 1 1 A 30 30 PHE HA H 30 5.360 5.335 0.025 1
1 364 . 16 1 1 A 30 30 PHE CA C 30 55.655 56.158 -0.503 1
1 365 . 16 1 1 A 30 30 PHE CB C 30 45.053 43.337 1.716 1
1 366 . 16 1 1 A 30 30 PHE N N 30 111.166 114.734 -3.568 1
1 367 . 16 1 1 A 31 31 ILE H H 31 7.850 8.354 -0.504 1
1 368 . 16 1 1 A 31 31 ILE HA H 31 4.808 4.934 -0.126 1
1 378 . 16 1 1 A 31 31 ILE CA C 31 60.159 59.131 1.028 1
1 379 . 16 1 1 A 31 31 ILE CB C 31 39.584 41.707 -2.123 1
1 383 . 16 1 1 A 31 31 ILE N N 31 119.419 119.745 -0.326 1
1 384 . 16 1 1 A 32 32 ILE H H 32 9.095 9.072 0.023 1
1 385 . 16 1 1 A 32 32 ILE HA H 32 4.830 5.246 -0.416 1
1 395 . 16 1 1 A 32 32 ILE CA C 32 59.205 59.656 -0.451 1
1 396 . 16 1 1 A 32 32 ILE CB C 32 42.206 41.331 0.875 1
1 400 . 16 1 1 A 32 32 ILE N N 32 127.930 126.393 1.537 1
1 401 . 16 1 1 A 33 33 GLU H H 33 9.089 8.903 0.186 1
1 402 . 16 1 1 A 33 33 GLU HA H 33 4.674 4.956 -0.282 1
1 407 . 16 1 1 A 33 33 GLU CA C 33 55.047 54.824 0.223 1
1 408 . 16 1 1 A 33 33 GLU CB C 33 31.851 31.434 0.417 1
1 410 . 16 1 1 A 33 33 GLU N N 33 128.159 125.211 2.948 1
1 411 . 16 1 1 A 34 34 GLN H H 34 8.705 8.809 -0.104 1
1 412 . 16 1 1 A 34 34 GLN HA H 34 4.362 4.226 0.136 1
1 419 . 16 1 1 A 34 34 GLN CA C 34 56.933 58.518 -1.585 1
1 420 . 16 1 1 A 34 34 GLN CB C 34 30.273 29.362 0.911 1
1 422 . 16 1 1 A 34 34 GLN N N 34 128.144 125.851 2.293 1
1 424 . 16 1 1 A 35 35 ASP H H 35 8.488 7.748 0.740 1
1 425 . 16 1 1 A 35 35 ASP HA H 35 4.608 4.751 -0.143 1
1 428 . 16 1 1 A 35 35 ASP CA C 35 54.124 53.461 0.663 1
1 429 . 16 1 1 A 35 35 ASP CB C 35 41.702 42.452 -0.750 1
1 430 . 16 1 1 A 35 35 ASP N N 35 122.441 114.768 7.673 1
1 431 . 16 1 1 A 36 36 GLN H H 36 8.604 8.431 0.173 1
1 432 . 16 1 1 A 36 36 GLN HA H 36 4.021 4.758 -0.737 1
1 439 . 16 1 1 A 36 36 GLN CA C 36 57.273 54.793 2.480 1
1 440 . 16 1 1 A 36 36 GLN CB C 36 29.266 29.022 0.244 1
1 442 . 16 1 1 A 36 36 GLN N N 36 123.042 118.473 4.569 1
1 444 . 16 1 1 A 37 37 ALA H H 37 8.313 8.076 0.237 1
1 445 . 16 1 1 A 37 37 ALA HA H 37 4.212 4.130 0.082 1
1 449 . 16 1 1 A 37 37 ALA CA C 37 53.708 54.835 -1.127 1
1 450 . 16 1 1 A 37 37 ALA CB C 37 18.949 18.441 0.508 1
1 451 . 16 1 1 A 37 37 ALA N N 37 122.748 124.577 -1.829 1
1 452 . 16 1 1 A 38 38 SER H H 38 7.949 7.407 0.542 1
1 453 . 16 1 1 A 38 38 SER HA H 38 4.285 4.661 -0.376 1
1 456 . 16 1 1 A 38 38 SER CA C 38 59.468 59.099 0.369 1
1 457 . 16 1 1 A 38 38 SER CB C 38 63.874 63.949 -0.075 1
1 458 . 16 1 1 A 38 38 SER N N 38 113.828 112.934 0.894 1
1 459 . 16 1 1 A 39 39 LYS H H 39 8.107 8.002 0.105 1
1 460 . 16 1 1 A 39 39 LYS HA H 39 4.124 4.090 0.034 1
1 469 . 16 1 1 A 39 39 LYS CA C 39 57.821 58.584 -0.763 1
1 470 . 16 1 1 A 39 39 LYS CB C 39 32.978 32.127 0.851 1
1 474 . 16 1 1 A 39 39 LYS N N 39 122.900 122.882 0.018 1
1 475 . 16 1 1 A 40 40 ASP H H 40 8.173 7.980 0.193 1
1 476 . 16 1 1 A 40 40 ASP HA H 40 4.477 4.753 -0.276 1
1 479 . 16 1 1 A 40 40 ASP CA C 40 55.164 56.208 -1.044 1
1 480 . 16 1 1 A 40 40 ASP CB C 40 41.359 41.690 -0.331 1
1 481 . 16 1 1 A 40 40 ASP N N 40 119.696 118.473 1.223 1
1 482 . 16 1 1 A 41 41 PHE H H 41 8.022 8.376 -0.354 1
1 483 . 16 1 1 A 41 41 PHE HA H 41 4.376 4.144 0.232 1
1 488 . 16 1 1 A 41 41 PHE CA C 41 59.354 59.962 -0.608 1
1 489 . 16 1 1 A 41 41 PHE CB C 41 39.414 39.718 -0.304 1
1 490 . 16 1 1 A 41 41 PHE N N 41 121.310 119.907 1.403 1
1 491 . 16 1 1 A 42 42 ASN H H 42 8.247 8.737 -0.490 1
1 492 . 16 1 1 A 42 42 ASN HA H 42 4.483 4.480 0.003 1
1 497 . 16 1 1 A 42 42 ASN CA C 42 54.383 55.843 -1.460 1
1 498 . 16 1 1 A 42 42 ASN CB C 42 38.853 37.329 1.524 1
1 499 . 16 1 1 A 42 42 ASN N N 42 119.282 117.419 1.863 1
1 501 . 16 1 1 A 43 43 ARG H H 43 8.048 7.482 0.566 1
1 502 . 16 1 1 A 43 43 ARG HA H 43 4.130 4.019 0.111 1
1 509 . 16 1 1 A 43 43 ARG CA C 43 57.429 59.958 -2.529 1
1 510 . 16 1 1 A 43 43 ARG CB C 43 30.503 29.816 0.687 1
1 513 . 16 1 1 A 43 43 ARG N N 43 121.050 118.983 2.067 1
1 514 . 16 1 1 A 44 44 SER H H 44 8.111 8.060 0.051 1
1 515 . 16 1 1 A 44 44 SER HA H 44 4.262 4.187 0.075 1
1 518 . 16 1 1 A 44 44 SER CA C 44 59.660 61.520 -1.860 1
1 519 . 16 1 1 A 44 44 SER CB C 44 63.810 62.960 0.850 1
1 520 . 16 1 1 A 44 44 SER N N 44 115.587 117.048 -1.461 1
1 521 . 16 1 1 A 45 45 LYS H H 45 7.968 7.406 0.562 1
1 522 . 16 1 1 A 45 45 LYS HA H 45 4.132 4.127 0.005 1
1 526 . 16 1 1 A 45 45 LYS CA C 45 57.193 58.945 -1.752 1
1 527 . 16 1 1 A 45 45 LYS CB C 45 32.534 32.271 0.263 1
1 529 . 16 1 1 A 45 45 LYS N N 45 122.205 121.660 0.545 1
1 530 . 16 1 1 A 46 46 ALA H H 46 7.936 7.484 0.452 1
1 531 . 16 1 1 A 46 46 ALA HA H 46 4.179 4.354 -0.175 1
1 535 . 16 1 1 A 46 46 ALA CA C 46 53.196 52.135 1.061 1
1 536 . 16 1 1 A 46 46 ALA CB C 46 19.279 19.594 -0.315 1
1 537 . 16 1 1 A 46 46 ALA N N 46 123.430 120.006 3.424 1
1 538 . 16 1 1 A 47 47 LEU H H 47 7.873 7.109 0.764 1
1 539 . 16 1 1 A 47 47 LEU HA H 47 4.147 4.384 -0.237 1
1 549 . 16 1 1 A 47 47 LEU CA C 47 55.854 55.558 0.296 1
1 550 . 16 1 1 A 47 47 LEU CB C 47 42.536 42.424 0.112 1
1 554 . 16 1 1 A 47 47 LEU N N 47 119.760 120.638 -0.878 1
1 555 . 16 1 1 A 48 48 PHE H H 48 7.960 8.898 -0.938 1
1 556 . 16 1 1 A 48 48 PHE HA H 48 4.540 4.336 0.204 1
1 561 . 16 1 1 A 48 48 PHE CA C 48 58.150 59.504 -1.354 1
1 562 . 16 1 1 A 48 48 PHE CB C 48 39.499 37.248 2.251 1
1 563 . 16 1 1 A 48 48 PHE N N 48 119.481 123.638 -4.157 1
1 564 . 16 1 1 A 49 49 SER H H 49 8.011 7.788 0.223 1
1 565 . 16 1 1 A 49 49 SER HA H 49 4.333 4.374 -0.041 1
1 566 . 16 1 1 A 49 49 SER CA C 49 58.675 55.695 2.980 1
1 567 . 16 1 1 A 49 49 SER N N 49 116.263 113.444 2.819 1
1 568 . 16 1 1 A 50 50 GLN H H 50 8.252 8.791 -0.539 1
1 569 . 16 1 1 A 50 50 GLN HA H 50 4.250 4.026 0.224 1
1 576 . 16 1 1 A 50 50 GLN CA C 50 56.570 58.948 -2.378 1
1 577 . 16 1 1 A 50 50 GLN CB C 50 29.372 28.232 1.140 1
1 579 . 16 1 1 A 50 50 GLN N N 50 121.890 124.602 -2.712 1
1 581 . 16 1 1 A 51 51 SER H H 51 8.143 8.097 0.046 1
1 582 . 16 1 1 A 51 51 SER HA H 51 4.332 4.150 0.182 1
1 583 . 16 1 1 A 51 51 SER CA C 51 58.848 61.633 -2.785 1
1 584 . 16 1 1 A 51 51 SER N N 51 115.677 117.795 -2.118 1
1 585 . 16 1 1 A 52 52 ALA H H 52 8.168 7.844 0.324 1
1 586 . 16 1 1 A 52 52 ALA HA H 52 4.261 4.182 0.079 1
1 590 . 16 1 1 A 52 52 ALA CA C 52 53.119 54.346 -1.227 1
1 591 . 16 1 1 A 52 52 ALA CB C 52 19.175 18.477 0.698 1
1 592 . 16 1 1 A 52 52 ALA N N 52 125.354 122.524 2.830 1
1 593 . 16 1 1 A 53 53 ILE H H 53 7.858 8.240 -0.382 1
1 594 . 16 1 1 A 53 53 ILE HA H 53 4.094 4.650 -0.556 1
1 604 . 16 1 1 A 53 53 ILE CA C 53 61.666 60.992 0.674 1
1 605 . 16 1 1 A 53 53 ILE CB C 53 39.015 40.974 -1.959 1
1 609 . 16 1 1 A 53 53 ILE N N 53 118.218 117.435 0.783 1
1 610 . 16 1 1 A 54 54 SER H H 54 8.152 7.874 0.278 1
1 611 . 16 1 1 A 54 54 SER HA H 54 4.348 4.136 0.212 1
1 614 . 16 1 1 A 54 54 SER CA C 54 58.678 60.351 -1.673 1
1 615 . 16 1 1 A 54 54 SER CB C 54 64.002 63.792 0.210 1
1 616 . 16 1 1 A 54 54 SER N N 54 118.590 118.949 -0.359 1
1 617 . 16 1 1 A 55 55 GLN H H 55 8.298 8.547 -0.249 1
1 618 . 16 1 1 A 55 55 GLN HA H 55 4.198 2.466 1.732 1
1 625 . 16 1 1 A 55 55 GLN CA C 55 56.690 57.275 -0.585 1
1 626 . 16 1 1 A 55 55 GLN CB C 55 29.393 28.160 1.233 1
1 628 . 16 1 1 A 55 55 GLN N N 55 122.154 123.636 -1.482 1
1 630 . 16 1 1 A 56 56 LYS H H 56 8.153 7.706 0.447 1
1 631 . 16 1 1 A 56 56 LYS HA H 56 4.161 4.515 -0.354 1
1 636 . 16 1 1 A 56 56 LYS CA C 56 57.174 55.671 1.503 1
1 637 . 16 1 1 A 56 56 LYS CB C 56 32.991 33.594 -0.603 1
1 639 . 16 1 1 A 56 56 LYS N N 56 121.127 117.583 3.544 1
1 640 . 16 1 1 A 57 57 GLU H H 57 8.201 8.047 0.154 1
1 641 . 16 1 1 A 57 57 GLU HA H 57 4.151 4.510 -0.359 1
1 646 . 16 1 1 A 57 57 GLU CA C 57 57.273 57.377 -0.104 1
1 647 . 16 1 1 A 57 57 GLU CB C 57 30.262 32.053 -1.791 1
1 649 . 16 1 1 A 57 57 GLU N N 57 120.626 116.635 3.991 1
1 650 . 16 1 1 A 58 58 TYR H H 58 8.057 8.607 -0.550 1
1 651 . 16 1 1 A 58 58 TYR HA H 58 4.375 4.403 -0.028 1
1 658 . 16 1 1 A 58 58 TYR CA C 58 58.721 59.425 -0.704 1
1 659 . 16 1 1 A 58 58 TYR CB C 58 39.096 37.225 1.871 1
1 660 . 16 1 1 A 58 58 TYR N N 58 120.841 119.231 1.610 1
1 661 . 16 1 1 A 59 59 ASP H H 59 8.144 8.708 -0.564 1
1 662 . 16 1 1 A 59 59 ASP HA H 59 4.493 4.160 0.333 1
1 665 . 16 1 1 A 59 59 ASP CA C 59 54.505 56.843 -2.338 1
1 666 . 16 1 1 A 59 59 ASP CB C 59 41.233 39.532 1.701 1
1 667 . 16 1 1 A 59 59 ASP N N 59 122.549 122.055 0.494 1
1 668 . 16 1 1 A 60 60 SER H H 60 8.245 8.128 0.117 1
1 669 . 16 1 1 A 60 60 SER HA H 60 4.255 4.154 0.101 1
1 670 . 16 1 1 A 60 60 SER CA C 60 59.650 61.526 -1.876 1
1 671 . 16 1 1 A 60 60 SER N N 60 117.646 116.809 0.837 1
1 672 . 16 1 1 A 61 61 SER H H 61 8.329 8.104 0.225 1
1 673 . 16 1 1 A 61 61 SER HA H 61 4.307 4.251 0.056 1
1 676 . 16 1 1 A 61 61 SER CA C 61 59.882 61.870 -1.988 1
1 677 . 16 1 1 A 61 61 SER CB C 61 63.888 63.031 0.857 1
1 678 . 16 1 1 A 61 61 SER N N 61 118.138 118.384 -0.246 1
1 679 . 16 1 1 A 62 62 LEU H H 62 7.753 7.131 0.622 1
1 680 . 16 1 1 A 62 62 LEU HA H 62 4.227 4.014 0.213 1
1 690 . 16 1 1 A 62 62 LEU CA C 62 55.640 56.917 -1.277 1
1 691 . 16 1 1 A 62 62 LEU CB C 62 42.389 42.781 -0.392 1
1 695 . 16 1 1 A 62 62 LEU N N 62 122.616 119.172 3.444 1
1 696 . 16 1 1 A 63 63 ALA H H 63 7.908 7.831 0.077 1
1 697 . 16 1 1 A 63 63 ALA HA H 63 4.266 4.475 -0.209 1
1 701 . 16 1 1 A 63 63 ALA CA C 63 53.071 51.306 1.765 1
1 702 . 16 1 1 A 63 63 ALA CB C 63 19.373 19.086 0.287 1
1 703 . 16 1 1 A 63 63 ALA N N 63 123.326 117.138 6.188 1
1 704 . 16 1 1 A 64 64 THR H H 64 7.855 8.490 -0.635 1
1 705 . 16 1 1 A 64 64 THR HA H 64 4.212 3.880 0.332 1
1 710 . 16 1 1 A 64 64 THR CA C 64 61.955 64.645 -2.690 1
1 711 . 16 1 1 A 64 64 THR CB C 64 69.997 68.546 1.451 1
1 713 . 16 1 1 A 64 64 THR N N 64 112.019 118.796 -6.777 1
1 714 . 16 1 1 A 65 65 LEU H H 65 7.970 9.329 -1.359 1
1 715 . 16 1 1 A 65 65 LEU HA H 65 4.290 3.868 0.422 1
1 725 . 16 1 1 A 65 65 LEU CA C 65 55.509 56.207 -0.698 1
1 726 . 16 1 1 A 65 65 LEU CB C 65 42.619 40.142 2.477 1
1 730 . 16 1 1 A 65 65 LEU N N 65 123.564 127.260 -3.696 1
1 731 . 16 1 1 A 66 66 ASP H H 66 8.271 8.397 -0.126 1
1 732 . 16 1 1 A 66 66 ASP HA H 66 4.538 4.122 0.416 1
1 735 . 16 1 1 A 66 66 ASP CA C 66 54.906 55.424 -0.518 1
1 736 . 16 1 1 A 66 66 ASP CB C 66 41.384 39.474 1.910 1
1 737 . 16 1 1 A 66 66 ASP N N 66 120.385 110.496 9.889 1
1 738 . 16 1 1 A 67 67 HIS H H 67 8.020 7.635 0.385 1
1 739 . 16 1 1 A 67 67 HIS HA H 67 5.236 5.049 0.187 1
1 744 . 16 1 1 A 67 67 HIS CA C 67 55.411 56.380 -0.969 1
1 745 . 16 1 1 A 67 67 HIS CB C 67 32.135 31.786 0.349 1
1 746 . 16 1 1 A 67 67 HIS N N 67 119.214 117.147 2.067 1
1 747 . 16 1 1 A 68 68 THR H H 68 8.903 8.808 0.095 1
1 748 . 16 1 1 A 68 68 THR HA H 68 4.474 4.987 -0.513 1
1 753 . 16 1 1 A 68 68 THR CA C 68 62.536 60.693 1.843 1
1 754 . 16 1 1 A 68 68 THR CB C 68 71.267 72.504 -1.237 1
1 756 . 16 1 1 A 68 68 THR N N 68 117.138 114.289 2.849 1
1 757 . 16 1 1 A 69 69 GLU H H 69 8.630 8.856 -0.226 1
1 758 . 16 1 1 A 69 69 GLU HA H 69 4.480 5.141 -0.661 1
1 763 . 16 1 1 A 69 69 GLU CA C 69 56.016 54.589 1.427 1
1 764 . 16 1 1 A 69 69 GLU CB C 69 31.824 33.477 -1.653 1
1 766 . 16 1 1 A 69 69 GLU N N 69 124.226 122.427 1.799 1
1 767 . 16 1 1 A 70 70 ILE H H 70 8.589 9.282 -0.693 1
1 768 . 16 1 1 A 70 70 ILE HA H 70 4.405 4.858 -0.453 1
1 778 . 16 1 1 A 70 70 ILE CA C 70 59.367 59.781 -0.414 1
1 779 . 16 1 1 A 70 70 ILE CB C 70 37.492 40.133 -2.641 1
1 783 . 16 1 1 A 70 70 ILE N N 70 123.526 124.072 -0.546 1
1 784 . 16 1 1 A 71 71 LYS H H 71 8.910 8.717 0.193 1
1 785 . 16 1 1 A 71 71 LYS HA H 71 5.070 4.956 0.114 1
1 790 . 16 1 1 A 71 71 LYS CA C 71 54.732 54.238 0.494 1
1 791 . 16 1 1 A 71 71 LYS CB C 71 36.388 36.097 0.291 1
1 793 . 16 1 1 A 71 71 LYS N N 71 128.313 125.431 2.882 1
1 794 . 16 1 1 A 72 72 ALA H H 72 8.623 8.884 -0.261 1
1 795 . 16 1 1 A 72 72 ALA HA H 72 4.060 4.292 -0.232 1
1 799 . 16 1 1 A 72 72 ALA CA C 72 50.119 50.916 -0.797 1
1 800 . 16 1 1 A 72 72 ALA CB C 72 17.261 17.732 -0.471 1
1 801 . 16 1 1 A 72 72 ALA N N 72 123.091 125.216 -2.125 1
1 802 . 16 1 1 A 73 73 PRO HA H 73 4.328 4.377 -0.049 1
1 809 . 16 1 1 A 73 73 PRO CA C 73 63.731 64.487 -0.756 1
1 810 . 16 1 1 A 73 73 PRO CB C 73 32.196 31.918 0.278 1
1 813 . 16 1 1 A 74 74 PHE H H 74 6.758 6.661 0.097 1
1 814 . 16 1 1 A 74 74 PHE HA H 74 4.414 4.874 -0.460 1
1 821 . 16 1 1 A 74 74 PHE CA C 74 54.539 55.952 -1.413 1
1 822 . 16 1 1 A 74 74 PHE CB C 74 40.862 40.632 0.230 1
1 823 . 16 1 1 A 74 74 PHE N N 74 112.045 112.944 -0.899 1
1 824 . 16 1 1 A 75 75 ASP H H 75 8.563 8.821 -0.258 1
1 825 . 16 1 1 A 75 75 ASP HA H 75 4.915 4.727 0.188 1
1 828 . 16 1 1 A 75 75 ASP CA C 75 54.108 56.074 -1.966 1
1 829 . 16 1 1 A 75 75 ASP CB C 75 41.011 40.766 0.245 1
1 830 . 16 1 1 A 75 75 ASP N N 75 118.284 120.345 -2.061 1
1 831 . 16 1 1 A 76 76 GLY H H 76 8.340 8.538 -0.198 1
1 832 . 16 1 1 A 76 76 GLY HA2 H 76 4.228 4.399 -0.171 1
1 833 . 16 1 1 A 76 76 GLY HA3 H 76 4.070 4.453 -0.383 1
1 834 . 16 1 1 A 76 76 GLY CA C 76 46.761 46.420 0.341 1
1 835 . 16 1 1 A 76 76 GLY N N 76 108.739 110.884 -2.145 1
1 836 . 16 1 1 A 77 77 THR H H 77 8.607 8.914 -0.307 1
1 837 . 16 1 1 A 77 77 THR HA H 77 4.966 5.100 -0.134 1
1 842 . 16 1 1 A 77 77 THR CA C 77 61.891 60.990 0.901 1
1 843 . 16 1 1 A 77 77 THR CB C 77 70.413 71.925 -1.512 1
1 845 . 16 1 1 A 77 77 THR N N 77 116.423 115.211 1.212 1
1 846 . 16 1 1 A 78 78 ILE H H 78 8.815 8.735 0.080 1
1 847 . 16 1 1 A 78 78 ILE HA H 78 4.656 4.960 -0.304 1
1 857 . 16 1 1 A 78 78 ILE CA C 78 60.214 59.590 0.624 1
1 858 . 16 1 1 A 78 78 ILE CB C 78 43.110 42.232 0.878 1
1 862 . 16 1 1 A 78 78 ILE N N 78 129.313 123.852 5.461 1
1 863 . 16 1 1 A 79 79 GLY H H 79 8.052 9.020 -0.968 1
1 864 . 16 1 1 A 79 79 GLY HA2 H 79 4.394 4.151 0.243 1
1 865 . 16 1 1 A 79 79 GLY HA3 H 79 3.765 4.152 -0.387 1
1 866 . 16 1 1 A 79 79 GLY CA C 79 44.297 44.237 0.060 1
1 867 . 16 1 1 A 79 79 GLY N N 79 114.522 116.302 -1.780 1
1 868 . 16 1 1 A 80 80 ASP H H 80 7.792 8.522 -0.730 1
1 869 . 16 1 1 A 80 80 ASP HA H 80 4.706 4.584 0.122 1
1 872 . 16 1 1 A 80 80 ASP CA C 80 53.784 54.696 -0.912 1
1 873 . 16 1 1 A 80 80 ASP CB C 80 42.062 41.074 0.988 1
1 874 . 16 1 1 A 80 80 ASP N N 80 113.706 118.249 -4.543 1
1 875 . 16 1 1 A 81 81 ALA H H 81 8.552 8.711 -0.159 1
1 876 . 16 1 1 A 81 81 ALA HA H 81 4.567 4.718 -0.151 1
1 880 . 16 1 1 A 81 81 ALA CA C 81 53.345 52.945 0.400 1
1 881 . 16 1 1 A 81 81 ALA CB C 81 20.325 19.197 1.128 1
1 882 . 16 1 1 A 81 81 ALA N N 81 124.168 125.461 -1.293 1
1 883 . 16 1 1 A 82 82 LEU H H 82 8.734 9.334 -0.600 1
1 884 . 16 1 1 A 82 82 LEU HA H 82 4.338 4.747 -0.409 1
1 893 . 16 1 1 A 82 82 LEU CA C 82 55.320 54.381 0.939 1
1 894 . 16 1 1 A 82 82 LEU CB C 82 41.616 43.568 -1.952 1
1 897 . 16 1 1 A 82 82 LEU N N 82 121.830 121.682 0.148 1
1 898 . 16 1 1 A 83 83 VAL H H 83 7.136 7.688 -0.552 1
1 899 . 16 1 1 A 83 83 VAL HA H 83 4.489 4.885 -0.396 1
1 907 . 16 1 1 A 83 83 VAL CA C 83 58.552 58.807 -0.255 1
1 908 . 16 1 1 A 83 83 VAL CB C 83 35.418 36.050 -0.632 1
1 911 . 16 1 1 A 83 83 VAL N N 83 108.193 114.304 -6.111 1
1 912 . 16 1 1 A 84 84 ASN H H 84 9.073 8.891 0.182 1
1 913 . 16 1 1 A 84 84 ASN HA H 84 4.872 5.318 -0.446 1
1 918 . 16 1 1 A 84 84 ASN CA C 84 51.417 51.382 0.035 1
1 919 . 16 1 1 A 84 84 ASN CB C 84 42.127 42.985 -0.858 1
1 920 . 16 1 1 A 84 84 ASN N N 84 119.533 119.477 0.056 1
1 922 . 16 1 1 A 85 85 ILE H H 85 8.390 8.527 -0.137 1
1 923 . 16 1 1 A 85 85 ILE HA H 85 3.384 3.680 -0.296 1
1 933 . 16 1 1 A 85 85 ILE CA C 85 63.985 63.949 0.036 1
1 934 . 16 1 1 A 85 85 ILE CB C 85 37.368 37.275 0.093 1
1 938 . 16 1 1 A 85 85 ILE N N 85 119.414 122.426 -3.012 1
1 939 . 16 1 1 A 86 86 GLY H H 86 9.229 8.532 0.697 1
1 940 . 16 1 1 A 86 86 GLY HA2 H 86 4.392 4.059 0.333 1
1 941 . 16 1 1 A 86 86 GLY HA3 H 86 3.412 4.061 -0.649 1
1 942 . 16 1 1 A 86 86 GLY CA C 86 44.946 44.948 -0.002 1
1 943 . 16 1 1 A 86 86 GLY N N 86 117.337 115.544 1.793 1
1 944 . 16 1 1 A 87 87 ASP H H 87 7.956 8.428 -0.472 1
1 945 . 16 1 1 A 87 87 ASP HA H 87 4.599 4.678 -0.079 1
1 948 . 16 1 1 A 87 87 ASP CA C 87 55.055 54.885 0.170 1
1 949 . 16 1 1 A 87 87 ASP CB C 87 40.978 41.271 -0.293 1
1 950 . 16 1 1 A 87 87 ASP N N 87 121.511 121.988 -0.477 1
1 951 . 16 1 1 A 88 88 TYR H H 88 8.545 8.839 -0.294 1
1 952 . 16 1 1 A 88 88 TYR HA H 88 4.718 4.723 -0.005 1
1 959 . 16 1 1 A 88 88 TYR CA C 88 57.954 57.388 0.566 1
1 960 . 16 1 1 A 88 88 TYR CB C 88 39.411 38.471 0.940 1
1 961 . 16 1 1 A 88 88 TYR N N 88 122.327 125.880 -3.553 1
1 962 . 16 1 1 A 89 89 VAL H H 89 8.937 8.386 0.551 1
1 963 . 16 1 1 A 89 89 VAL HA H 89 4.565 4.850 -0.285 1
1 971 . 16 1 1 A 89 89 VAL CA C 89 58.580 59.523 -0.943 1
1 972 . 16 1 1 A 89 89 VAL CB C 89 34.504 33.824 0.680 1
1 975 . 16 1 1 A 89 89 VAL N N 89 121.838 123.055 -1.217 1
1 976 . 16 1 1 A 90 90 SER H H 90 8.761 8.551 0.210 1
1 977 . 16 1 1 A 90 90 SER HA H 90 4.562 5.120 -0.558 1
1 980 . 16 1 1 A 90 90 SER CA C 90 56.974 56.116 0.858 1
1 981 . 16 1 1 A 90 90 SER CB C 90 65.027 65.566 -0.539 1
1 982 . 16 1 1 A 90 90 SER N N 90 114.806 117.221 -2.415 1
1 983 . 16 1 1 A 91 91 ALA H H 91 8.692 9.004 -0.312 1
1 984 . 16 1 1 A 91 91 ALA HA H 91 3.505 3.991 -0.486 1
1 988 . 16 1 1 A 91 91 ALA CA C 91 53.471 54.905 -1.434 1
1 989 . 16 1 1 A 91 91 ALA CB C 91 18.719 18.405 0.314 1
1 990 . 16 1 1 A 91 91 ALA N N 91 129.873 129.586 0.287 1
1 991 . 16 1 1 A 92 92 SER H H 92 9.156 8.189 0.967 1
1 992 . 16 1 1 A 92 92 SER HA H 92 3.804 4.757 -0.953 1
1 995 . 16 1 1 A 92 92 SER CA C 92 60.827 57.412 3.415 1
1 996 . 16 1 1 A 92 92 SER CB C 92 62.630 64.866 -2.236 1
1 997 . 16 1 1 A 92 92 SER N N 92 113.297 113.097 0.200 1
1 998 . 16 1 1 A 93 93 THR H H 93 7.806 7.757 0.049 1
1 999 . 16 1 1 A 93 93 THR HA H 93 4.387 4.420 -0.033 1
1 1004 . 16 1 1 A 93 93 THR CA C 93 64.607 63.220 1.387 1
1 1005 . 16 1 1 A 93 93 THR CB C 93 71.127 69.665 1.462 1
1 1007 . 16 1 1 A 93 93 THR N N 93 113.896 113.763 0.133 1
1 1008 . 16 1 1 A 94 94 THR H H 94 7.691 7.211 0.480 1
1 1009 . 16 1 1 A 94 94 THR HA H 94 3.899 4.905 -1.006 1
1 1014 . 16 1 1 A 94 94 THR CA C 94 65.258 61.622 3.636 1
1 1015 . 16 1 1 A 94 94 THR CB C 94 70.283 71.283 -1.000 1
1 1017 . 16 1 1 A 94 94 THR N N 94 119.603 115.223 4.380 1
1 1018 . 16 1 1 A 95 95 GLU H H 95 8.389 8.967 -0.578 1
1 1019 . 16 1 1 A 95 95 GLU HA H 95 3.793 4.663 -0.870 1
1 1024 . 16 1 1 A 95 95 GLU CA C 95 56.783 55.407 1.376 1
1 1025 . 16 1 1 A 95 95 GLU CB C 95 29.777 31.251 -1.474 1
1 1027 . 16 1 1 A 95 95 GLU N N 95 124.816 126.942 -2.126 1
1 1028 . 16 1 1 A 96 96 LEU H H 96 8.735 8.650 0.085 1
1 1029 . 16 1 1 A 96 96 LEU HA H 96 4.249 4.176 0.073 1
1 1039 . 16 1 1 A 96 96 LEU CA C 96 57.071 55.861 1.210 1
1 1040 . 16 1 1 A 96 96 LEU CB C 96 43.517 41.838 1.679 1
1 1044 . 16 1 1 A 96 96 LEU N N 96 120.104 126.562 -6.458 1
1 1045 . 16 1 1 A 97 97 VAL H H 97 7.049 7.299 -0.250 1
1 1046 . 16 1 1 A 97 97 VAL HA H 97 4.334 4.350 -0.016 1
1 1054 . 16 1 1 A 97 97 VAL CA C 97 61.411 60.964 0.447 1
1 1055 . 16 1 1 A 97 97 VAL CB C 97 31.724 34.366 -2.642 1
1 1058 . 16 1 1 A 97 97 VAL N N 97 112.399 114.128 -1.729 1
1 1059 . 16 1 1 A 98 98 ARG H H 98 8.968 8.670 0.298 1
1 1060 . 16 1 1 A 98 98 ARG HA H 98 5.255 5.342 -0.087 1
1 1067 . 16 1 1 A 98 98 ARG CA C 98 55.391 54.843 0.548 1
1 1068 . 16 1 1 A 98 98 ARG CB C 98 32.925 32.487 0.438 1
1 1071 . 16 1 1 A 98 98 ARG N N 98 127.489 122.063 5.426 1
1 1072 . 16 1 1 A 99 99 VAL H H 99 8.884 9.003 -0.119 1
1 1073 . 16 1 1 A 99 99 VAL HA H 99 4.554 4.979 -0.425 1
1 1078 . 16 1 1 A 99 99 VAL CA C 99 60.996 60.934 0.062 1
1 1079 . 16 1 1 A 99 99 VAL CB C 99 34.358 34.176 0.182 1
1 1081 . 16 1 1 A 99 99 VAL N N 99 122.863 122.232 0.631 1
1 1082 . 16 1 1 A 100 100 THR H H 100 8.823 9.251 -0.428 1
1 1083 . 16 1 1 A 100 100 THR HA H 100 4.552 5.294 -0.742 1
1 1088 . 16 1 1 A 100 100 THR CA C 100 61.105 60.385 0.720 1
1 1089 . 16 1 1 A 100 100 THR CB C 100 70.859 72.098 -1.239 1
1 1091 . 16 1 1 A 100 100 THR N N 100 121.813 121.358 0.455 1
1 1092 . 16 1 1 A 101 101 ASN H H 101 8.146 8.993 -0.847 1
1 1093 . 16 1 1 A 101 101 ASN HA H 101 4.505 5.368 -0.863 1
1 1098 . 16 1 1 A 101 101 ASN CA C 101 54.283 52.748 1.535 1
1 1099 . 16 1 1 A 101 101 ASN CB C 101 38.631 39.817 -1.186 1
1 1100 . 16 1 1 A 101 101 ASN N N 101 122.582 127.529 -4.947 1
1 1102 . 16 1 1 A 102 102 LEU H H 102 8.154 8.496 -0.342 1
1 1103 . 16 1 1 A 102 102 LEU HA H 102 4.236 4.957 -0.721 1
1 1113 . 16 1 1 A 102 102 LEU CA C 102 55.618 53.427 2.191 1
1 1114 . 16 1 1 A 102 102 LEU CB C 102 42.842 44.887 -2.045 1
1 1118 . 16 1 1 A 102 102 LEU N N 102 122.572 124.190 -1.618 1
1 1119 . 16 1 1 A 103 103 ASN H H 103 8.393 8.687 -0.294 1
1 1120 . 16 1 1 A 103 103 ASN HA H 103 4.862 4.773 0.089 1
1 1125 . 16 1 1 A 103 103 ASN CA C 103 51.431 51.931 -0.500 1
1 1126 . 16 1 1 A 103 103 ASN CB C 103 39.172 37.666 1.506 1
1 1127 . 16 1 1 A 103 103 ASN N N 103 120.155 118.621 1.534 1
1 1129 . 16 1 1 A 104 104 PRO HA H 104 4.224 4.552 -0.328 1
1 1136 . 16 1 1 A 104 104 PRO CA C 104 63.636 63.852 -0.216 1
1 1137 . 16 1 1 A 104 104 PRO CB C 104 32.301 32.714 -0.413 1
1 1140 . 16 1 1 A 105 105 ILE H H 105 7.870 7.984 -0.114 1
1 1141 . 16 1 1 A 105 105 ILE HA H 105 3.934 3.862 0.072 1
1 1151 . 16 1 1 A 105 105 ILE CA C 105 61.566 62.852 -1.286 1
1 1152 . 16 1 1 A 105 105 ILE CB C 105 38.723 37.323 1.400 1
1 1156 . 16 1 1 A 105 105 ILE N N 105 119.425 117.598 1.827 1
1 1157 . 16 1 1 A 106 106 TYR H H 106 7.945 7.574 0.371 1
1 1158 . 16 1 1 A 106 106 TYR HA H 106 4.529 4.483 0.046 1
1 1165 . 16 1 1 A 106 106 TYR CA C 106 57.548 58.547 -0.999 1
1 1166 . 16 1 1 A 106 106 TYR CB C 106 39.048 38.407 0.641 1
1 1167 . 16 1 1 A 106 106 TYR N N 106 123.138 120.524 2.614 1
1 1168 . 16 1 1 A 107 107 ALA H H 107 8.113 7.716 0.397 1
1 1169 . 16 1 1 A 107 107 ALA HA H 107 4.213 4.621 -0.408 1
1 1173 . 16 1 1 A 107 107 ALA CA C 107 52.847 51.090 1.757 1
1 1174 . 16 1 1 A 107 107 ALA CB C 107 19.450 20.515 -1.065 1
1 1175 . 16 1 1 A 107 107 ALA N N 107 125.476 120.428 5.048 1
1 1176 . 16 1 1 A 108 108 ASP H H 108 8.140 7.692 0.448 1
1 1177 . 16 1 1 A 108 108 ASP HA H 108 4.502 5.119 -0.617 1
1 1180 . 16 1 1 A 108 108 ASP CA C 108 54.515 53.436 1.079 1
1 1181 . 16 1 1 A 108 108 ASP CB C 108 41.436 44.411 -2.975 1
1 1182 . 16 1 1 A 108 108 ASP N N 108 119.275 118.444 0.831 1
1 1183 . 16 1 1 A 109 109 GLY H H 109 8.304 8.409 -0.105 1
1 1184 . 16 1 1 A 109 109 GLY HA2 H 109 3.930 4.372 -0.442 1
1 1185 . 16 1 1 A 109 109 GLY HA3 H 109 3.844 4.488 -0.644 1
1 1186 . 16 1 1 A 109 109 GLY CA C 109 45.809 45.767 0.042 1
1 1187 . 16 1 1 A 109 109 GLY N N 109 109.463 110.253 -0.790 1
1 1188 . 16 1 1 A 110 110 SER H H 110 8.169 7.880 0.289 1
1 1189 . 16 1 1 A 110 110 SER HA H 110 4.263 4.087 0.176 1
1 1190 . 16 1 1 A 110 110 SER CA C 110 59.017 61.836 -2.819 1
1 1191 . 16 1 1 A 110 110 SER N N 110 115.630 117.096 -1.466 1
1 1192 . 16 1 1 A 111 111 HIS HA H 111 4.522 4.451 0.071 1
1 1195 . 16 1 1 A 111 111 HIS CA C 111 56.269 56.200 0.069 1
1 1196 . 16 1 1 A 111 111 HIS CB C 111 30.558 30.299 0.259 1
1 1197 . 16 1 1 A 112 112 HIS HA H 112 4.341 4.000 0.341 1
1 1200 . 16 1 1 A 112 112 HIS CA C 112 57.660 56.849 0.811 1
1 2 . 17 1 1 A 2 2 VAL H H 2 8.608 7.735 0.873 1
1 3 . 17 1 1 A 2 2 VAL HA H 2 4.472 4.835 -0.363 1
1 11 . 17 1 1 A 2 2 VAL CA C 2 61.161 60.563 0.598 1
1 12 . 17 1 1 A 2 2 VAL CB C 2 35.825 35.561 0.264 1
1 15 . 17 1 1 A 2 2 VAL N N 2 117.995 115.366 2.629 1
1 16 . 17 1 1 A 3 3 ILE H H 3 8.424 9.066 -0.642 1
1 17 . 17 1 1 A 3 3 ILE HA H 3 4.489 4.652 -0.163 1
1 27 . 17 1 1 A 3 3 ILE CA C 3 60.273 60.306 -0.033 1
1 28 . 17 1 1 A 3 3 ILE CB C 3 38.595 39.811 -1.216 1
1 32 . 17 1 1 A 3 3 ILE N N 3 125.647 126.235 -0.588 1
1 33 . 17 1 1 A 4 4 ILE H H 4 8.531 8.993 -0.462 1
1 34 . 17 1 1 A 4 4 ILE HA H 4 3.990 4.174 -0.184 1
1 44 . 17 1 1 A 4 4 ILE CA C 4 61.656 61.799 -0.143 1
1 45 . 17 1 1 A 4 4 ILE CB C 4 38.183 38.552 -0.369 1
1 49 . 17 1 1 A 4 4 ILE N N 4 127.472 130.126 -2.654 1
1 50 . 17 1 1 A 5 5 LYS H H 5 8.277 8.816 -0.539 1
1 51 . 17 1 1 A 5 5 LYS HA H 5 5.164 4.714 0.450 1
1 60 . 17 1 1 A 5 5 LYS CA C 5 53.440 52.908 0.532 1
1 61 . 17 1 1 A 5 5 LYS CB C 5 33.808 35.470 -1.662 1
1 65 . 17 1 1 A 5 5 LYS N N 5 126.697 126.508 0.189 1
1 66 . 17 1 1 A 6 6 PRO HA H 6 4.370 4.751 -0.381 1
1 73 . 17 1 1 A 6 6 PRO CA C 6 62.493 62.263 0.230 1
1 74 . 17 1 1 A 6 6 PRO CB C 6 32.091 32.871 -0.780 1
1 77 . 17 1 1 A 7 7 GLN H H 7 9.334 8.281 1.053 1
1 78 . 17 1 1 A 7 7 GLN HA H 7 4.348 4.338 0.010 1
1 85 . 17 1 1 A 7 7 GLN CA C 7 56.384 55.731 0.653 1
1 86 . 17 1 1 A 7 7 GLN CB C 7 28.934 28.835 0.099 1
1 88 . 17 1 1 A 7 7 GLN N N 7 119.944 118.584 1.360 1
1 90 . 17 1 1 A 8 8 VAL H H 8 7.021 7.293 -0.272 1
1 91 . 17 1 1 A 8 8 VAL HA H 8 4.476 4.804 -0.328 1
1 99 . 17 1 1 A 8 8 VAL CA C 8 58.999 58.819 0.180 1
1 100 . 17 1 1 A 8 8 VAL CB C 8 35.347 35.270 0.077 1
1 103 . 17 1 1 A 8 8 VAL N N 8 111.118 115.076 -3.958 1
1 104 . 17 1 1 A 9 9 SER H H 9 8.155 8.672 -0.517 1
1 105 . 17 1 1 A 9 9 SER HA H 9 4.945 4.711 0.234 1
1 108 . 17 1 1 A 9 9 SER CA C 9 56.704 57.887 -1.183 1
1 109 . 17 1 1 A 9 9 SER CB C 9 64.645 64.775 -0.130 1
1 110 . 17 1 1 A 9 9 SER N N 9 114.983 117.323 -2.340 1
1 111 . 17 1 1 A 10 10 GLY H H 10 7.981 8.260 -0.279 1
1 112 . 17 1 1 A 10 10 GLY HA2 H 10 4.416 4.253 0.163 1
1 113 . 17 1 1 A 10 10 GLY HA3 H 10 3.643 4.344 -0.701 1
1 114 . 17 1 1 A 10 10 GLY CA C 10 45.433 45.543 -0.110 1
1 115 . 17 1 1 A 10 10 GLY N N 10 108.602 107.486 1.116 1
1 116 . 17 1 1 A 11 11 VAL H H 11 8.018 8.642 -0.624 1
1 117 . 17 1 1 A 11 11 VAL HA H 11 4.740 5.308 -0.568 1
1 125 . 17 1 1 A 11 11 VAL CA C 11 60.580 59.056 1.524 1
1 126 . 17 1 1 A 11 11 VAL CB C 11 35.124 35.683 -0.559 1
1 129 . 17 1 1 A 11 11 VAL N N 11 118.346 117.635 0.711 1
1 130 . 17 1 1 A 12 12 ILE H H 12 8.452 8.868 -0.416 1
1 131 . 17 1 1 A 12 12 ILE HA H 12 4.042 4.307 -0.265 1
1 141 . 17 1 1 A 12 12 ILE CA C 12 60.400 62.390 -1.990 1
1 142 . 17 1 1 A 12 12 ILE CB C 12 35.725 38.118 -2.393 1
1 146 . 17 1 1 A 12 12 ILE N N 12 125.267 125.100 0.167 1
1 147 . 17 1 1 A 13 13 VAL H H 13 8.900 9.307 -0.407 1
1 148 . 17 1 1 A 13 13 VAL HA H 13 4.492 4.327 0.165 1
1 156 . 17 1 1 A 13 13 VAL CA C 13 62.168 63.375 -1.207 1
1 157 . 17 1 1 A 13 13 VAL CB C 13 33.406 33.835 -0.429 1
1 160 . 17 1 1 A 13 13 VAL N N 13 124.539 125.436 -0.897 1
1 161 . 17 1 1 A 14 14 ASN H H 14 7.649 7.434 0.215 1
1 162 . 17 1 1 A 14 14 ASN HA H 14 4.805 5.218 -0.413 1
1 167 . 17 1 1 A 14 14 ASN CA C 14 52.950 52.289 0.661 1
1 168 . 17 1 1 A 14 14 ASN CB C 14 42.149 42.034 0.115 1
1 169 . 17 1 1 A 14 14 ASN N N 14 115.008 116.776 -1.768 1
1 171 . 17 1 1 A 15 15 LYS H H 15 8.393 8.572 -0.179 1
1 172 . 17 1 1 A 15 15 LYS HA H 15 4.640 4.727 -0.087 1
1 179 . 17 1 1 A 15 15 LYS CA C 15 55.987 54.887 1.100 1
1 180 . 17 1 1 A 15 15 LYS CB C 15 35.412 33.296 2.116 1
1 183 . 17 1 1 A 15 15 LYS N N 15 123.820 122.405 1.415 1
1 184 . 17 1 1 A 16 16 LEU H H 16 8.015 8.327 -0.312 1
1 185 . 17 1 1 A 16 16 LEU HA H 16 4.983 3.928 1.055 1
1 195 . 17 1 1 A 16 16 LEU CA C 16 55.202 57.744 -2.542 1
1 196 . 17 1 1 A 16 16 LEU CB C 16 41.471 41.992 -0.521 1
1 200 . 17 1 1 A 16 16 LEU N N 16 126.200 126.309 -0.109 1
1 201 . 17 1 1 A 17 17 PHE H H 17 6.522 7.252 -0.730 1
1 202 . 17 1 1 A 17 17 PHE HA H 17 4.858 4.445 0.413 1
1 210 . 17 1 1 A 17 17 PHE CA C 17 55.675 56.263 -0.588 1
1 211 . 17 1 1 A 17 17 PHE CB C 17 41.329 40.240 1.089 1
1 212 . 17 1 1 A 17 17 PHE N N 17 113.650 116.407 -2.757 1
1 213 . 17 1 1 A 18 18 LYS H H 18 8.648 8.848 -0.200 1
1 214 . 17 1 1 A 18 18 LYS HA H 18 4.325 4.417 -0.092 1
1 223 . 17 1 1 A 18 18 LYS CA C 18 54.442 53.922 0.520 1
1 224 . 17 1 1 A 18 18 LYS CB C 18 35.233 35.640 -0.407 1
1 228 . 17 1 1 A 18 18 LYS N N 18 120.586 118.082 2.504 1
1 229 . 17 1 1 A 19 19 ALA H H 19 8.396 8.342 0.054 1
1 230 . 17 1 1 A 19 19 ALA HA H 19 3.956 4.177 -0.221 1
1 234 . 17 1 1 A 19 19 ALA CA C 19 54.151 53.885 0.266 1
1 235 . 17 1 1 A 19 19 ALA CB C 19 18.681 18.394 0.287 1
1 236 . 17 1 1 A 19 19 ALA N N 19 123.901 126.577 -2.676 1
1 237 . 17 1 1 A 20 20 GLY H H 20 8.806 8.906 -0.100 1
1 238 . 17 1 1 A 20 20 GLY HA2 H 20 4.299 3.991 0.308 1
1 239 . 17 1 1 A 20 20 GLY HA3 H 20 3.523 4.016 -0.493 1
1 240 . 17 1 1 A 20 20 GLY CA C 20 45.190 45.058 0.132 1
1 241 . 17 1 1 A 20 20 GLY N N 20 112.460 111.826 0.634 1
1 242 . 17 1 1 A 21 21 ASP H H 21 7.923 7.805 0.118 1
1 243 . 17 1 1 A 21 21 ASP HA H 21 4.489 4.883 -0.394 1
1 246 . 17 1 1 A 21 21 ASP CA C 21 55.477 52.845 2.632 1
1 247 . 17 1 1 A 21 21 ASP CB C 21 41.593 42.855 -1.262 1
1 248 . 17 1 1 A 21 21 ASP N N 21 121.531 121.526 0.005 1
1 249 . 17 1 1 A 22 22 LYS H H 22 8.292 8.563 -0.271 1
1 250 . 17 1 1 A 22 22 LYS HA H 22 4.861 4.682 0.179 1
1 259 . 17 1 1 A 22 22 LYS CA C 22 55.789 56.327 -0.538 1
1 260 . 17 1 1 A 22 22 LYS CB C 22 31.948 34.000 -2.052 1
1 264 . 17 1 1 A 22 22 LYS N N 22 120.223 120.787 -0.564 1
1 265 . 17 1 1 A 23 23 VAL H H 23 8.929 8.728 0.201 1
1 266 . 17 1 1 A 23 23 VAL HA H 23 4.828 5.093 -0.265 1
1 274 . 17 1 1 A 23 23 VAL CA C 23 58.619 59.067 -0.448 1
1 275 . 17 1 1 A 23 23 VAL CB C 23 34.776 35.684 -0.908 1
1 278 . 17 1 1 A 23 23 VAL N N 23 117.770 118.484 -0.714 1
1 279 . 17 1 1 A 24 24 LYS H H 24 7.952 8.412 -0.460 1
1 280 . 17 1 1 A 24 24 LYS HA H 24 4.828 4.438 0.390 1
1 289 . 17 1 1 A 24 24 LYS CA C 24 53.316 55.932 -2.616 1
1 290 . 17 1 1 A 24 24 LYS CB C 24 35.370 33.386 1.984 1
1 294 . 17 1 1 A 24 24 LYS N N 24 121.890 123.831 -1.941 1
1 295 . 17 1 1 A 25 25 LYS H H 25 8.903 8.576 0.327 1
1 296 . 17 1 1 A 25 25 LYS HA H 25 3.152 4.381 -1.229 1
1 304 . 17 1 1 A 25 25 LYS CA C 25 58.780 55.974 2.806 1
1 305 . 17 1 1 A 25 25 LYS CB C 25 32.788 32.115 0.673 1
1 309 . 17 1 1 A 25 25 LYS N N 25 121.717 121.160 0.557 1
1 310 . 17 1 1 A 26 26 GLY H H 26 8.887 8.261 0.626 1
1 311 . 17 1 1 A 26 26 GLY HA2 H 26 4.277 4.025 0.252 1
1 312 . 17 1 1 A 26 26 GLY HA3 H 26 3.462 4.058 -0.596 1
1 313 . 17 1 1 A 26 26 GLY CA C 26 45.387 45.007 0.380 1
1 314 . 17 1 1 A 26 26 GLY N N 26 115.271 106.831 8.440 1
1 315 . 17 1 1 A 27 27 GLN H H 27 8.423 8.027 0.396 1
1 316 . 17 1 1 A 27 27 GLN HA H 27 4.134 4.338 -0.204 1
1 323 . 17 1 1 A 27 27 GLN CA C 27 56.461 56.152 0.309 1
1 324 . 17 1 1 A 27 27 GLN CB C 27 30.655 29.027 1.628 1
1 326 . 17 1 1 A 27 27 GLN N N 27 123.160 119.843 3.317 1
1 328 . 17 1 1 A 28 28 THR H H 28 9.094 8.754 0.340 1
1 329 . 17 1 1 A 28 28 THR HA H 28 3.884 4.171 -0.287 1
1 334 . 17 1 1 A 28 28 THR CA C 28 66.017 64.251 1.766 1
1 335 . 17 1 1 A 28 28 THR CB C 28 68.577 68.944 -0.367 1
1 337 . 17 1 1 A 28 28 THR N N 28 124.723 118.070 6.653 1
1 338 . 17 1 1 A 29 29 LEU H H 29 9.499 9.380 0.119 1
1 339 . 17 1 1 A 29 29 LEU HA H 29 4.373 4.387 -0.014 1
1 349 . 17 1 1 A 29 29 LEU CA C 29 55.960 55.618 0.342 1
1 350 . 17 1 1 A 29 29 LEU CB C 29 44.601 43.306 1.295 1
1 354 . 17 1 1 A 29 29 LEU N N 29 125.894 127.124 -1.230 1
1 355 . 17 1 1 A 30 30 PHE H H 30 7.572 7.609 -0.037 1
1 356 . 17 1 1 A 30 30 PHE HA H 30 5.360 5.423 -0.063 1
1 364 . 17 1 1 A 30 30 PHE CA C 30 55.655 56.011 -0.356 1
1 365 . 17 1 1 A 30 30 PHE CB C 30 45.053 43.233 1.820 1
1 366 . 17 1 1 A 30 30 PHE N N 30 111.166 114.729 -3.563 1
1 367 . 17 1 1 A 31 31 ILE H H 31 7.850 8.360 -0.510 1
1 368 . 17 1 1 A 31 31 ILE HA H 31 4.808 4.948 -0.140 1
1 378 . 17 1 1 A 31 31 ILE CA C 31 60.159 59.108 1.051 1
1 379 . 17 1 1 A 31 31 ILE CB C 31 39.584 41.567 -1.983 1
1 383 . 17 1 1 A 31 31 ILE N N 31 119.419 119.642 -0.223 1
1 384 . 17 1 1 A 32 32 ILE H H 32 9.095 9.098 -0.003 1
1 385 . 17 1 1 A 32 32 ILE HA H 32 4.830 5.392 -0.562 1
1 395 . 17 1 1 A 32 32 ILE CA C 32 59.205 59.714 -0.509 1
1 396 . 17 1 1 A 32 32 ILE CB C 32 42.206 41.423 0.783 1
1 400 . 17 1 1 A 32 32 ILE N N 32 127.930 126.312 1.618 1
1 401 . 17 1 1 A 33 33 GLU H H 33 9.089 9.246 -0.157 1
1 402 . 17 1 1 A 33 33 GLU HA H 33 4.674 4.975 -0.301 1
1 407 . 17 1 1 A 33 33 GLU CA C 33 55.047 54.861 0.186 1
1 408 . 17 1 1 A 33 33 GLU CB C 33 31.851 31.577 0.274 1
1 410 . 17 1 1 A 33 33 GLU N N 33 128.159 125.217 2.942 1
1 411 . 17 1 1 A 34 34 GLN H H 34 8.705 8.910 -0.205 1
1 412 . 17 1 1 A 34 34 GLN HA H 34 4.362 4.175 0.187 1
1 419 . 17 1 1 A 34 34 GLN CA C 34 56.933 58.417 -1.484 1
1 420 . 17 1 1 A 34 34 GLN CB C 34 30.273 29.382 0.891 1
1 422 . 17 1 1 A 34 34 GLN N N 34 128.144 125.343 2.801 1
1 424 . 17 1 1 A 35 35 ASP H H 35 8.488 7.834 0.654 1
1 425 . 17 1 1 A 35 35 ASP HA H 35 4.608 4.920 -0.312 1
1 428 . 17 1 1 A 35 35 ASP CA C 35 54.124 53.922 0.202 1
1 429 . 17 1 1 A 35 35 ASP CB C 35 41.702 44.709 -3.007 1
1 430 . 17 1 1 A 35 35 ASP N N 35 122.441 116.605 5.836 1
1 431 . 17 1 1 A 36 36 GLN H H 36 8.604 8.616 -0.012 1
1 432 . 17 1 1 A 36 36 GLN HA H 36 4.021 4.462 -0.441 1
1 439 . 17 1 1 A 36 36 GLN CA C 36 57.273 56.786 0.487 1
1 440 . 17 1 1 A 36 36 GLN CB C 36 29.266 29.137 0.129 1
1 442 . 17 1 1 A 36 36 GLN N N 36 123.042 124.009 -0.967 1
1 444 . 17 1 1 A 37 37 ALA H H 37 8.313 8.299 0.014 1
1 445 . 17 1 1 A 37 37 ALA HA H 37 4.212 4.402 -0.190 1
1 449 . 17 1 1 A 37 37 ALA CA C 37 53.708 53.220 0.488 1
1 450 . 17 1 1 A 37 37 ALA CB C 37 18.949 20.117 -1.168 1
1 451 . 17 1 1 A 37 37 ALA N N 37 122.748 125.380 -2.632 1
1 452 . 17 1 1 A 38 38 SER H H 38 7.949 8.438 -0.489 1
1 453 . 17 1 1 A 38 38 SER HA H 38 4.285 4.244 0.041 1
1 456 . 17 1 1 A 38 38 SER CA C 38 59.468 61.559 -2.091 1
1 457 . 17 1 1 A 38 38 SER CB C 38 63.874 62.957 0.917 1
1 458 . 17 1 1 A 38 38 SER N N 38 113.828 115.693 -1.865 1
1 459 . 17 1 1 A 39 39 LYS H H 39 8.107 7.792 0.315 1
1 460 . 17 1 1 A 39 39 LYS HA H 39 4.124 4.139 -0.015 1
1 469 . 17 1 1 A 39 39 LYS CA C 39 57.821 58.822 -1.001 1
1 470 . 17 1 1 A 39 39 LYS CB C 39 32.978 31.983 0.995 1
1 474 . 17 1 1 A 39 39 LYS N N 39 122.900 121.511 1.389 1
1 475 . 17 1 1 A 40 40 ASP H H 40 8.173 7.854 0.319 1
1 476 . 17 1 1 A 40 40 ASP HA H 40 4.477 4.541 -0.064 1
1 479 . 17 1 1 A 40 40 ASP CA C 40 55.164 56.484 -1.320 1
1 480 . 17 1 1 A 40 40 ASP CB C 40 41.359 41.422 -0.063 1
1 481 . 17 1 1 A 40 40 ASP N N 40 119.696 118.688 1.008 1
1 482 . 17 1 1 A 41 41 PHE H H 41 8.022 8.419 -0.397 1
1 483 . 17 1 1 A 41 41 PHE HA H 41 4.376 4.094 0.282 1
1 488 . 17 1 1 A 41 41 PHE CA C 41 59.354 61.083 -1.729 1
1 489 . 17 1 1 A 41 41 PHE CB C 41 39.414 39.250 0.164 1
1 490 . 17 1 1 A 41 41 PHE N N 41 121.310 121.546 -0.236 1
1 491 . 17 1 1 A 42 42 ASN H H 42 8.247 8.787 -0.540 1
1 492 . 17 1 1 A 42 42 ASN HA H 42 4.483 4.307 0.176 1
1 497 . 17 1 1 A 42 42 ASN CA C 42 54.383 55.735 -1.352 1
1 498 . 17 1 1 A 42 42 ASN CB C 42 38.853 37.789 1.064 1
1 499 . 17 1 1 A 42 42 ASN N N 42 119.282 116.334 2.948 1
1 501 . 17 1 1 A 43 43 ARG H H 43 8.048 7.575 0.473 1
1 502 . 17 1 1 A 43 43 ARG HA H 43 4.130 4.100 0.030 1
1 509 . 17 1 1 A 43 43 ARG CA C 43 57.429 58.923 -1.494 1
1 510 . 17 1 1 A 43 43 ARG CB C 43 30.503 29.787 0.716 1
1 513 . 17 1 1 A 43 43 ARG N N 43 121.050 119.474 1.576 1
1 514 . 17 1 1 A 44 44 SER H H 44 8.111 7.622 0.489 1
1 515 . 17 1 1 A 44 44 SER HA H 44 4.262 4.055 0.207 1
1 518 . 17 1 1 A 44 44 SER CA C 44 59.660 62.205 -2.545 1
1 519 . 17 1 1 A 44 44 SER CB C 44 63.810 62.716 1.094 1
1 520 . 17 1 1 A 44 44 SER N N 44 115.587 117.013 -1.426 1
1 521 . 17 1 1 A 45 45 LYS H H 45 7.968 7.694 0.274 1
1 522 . 17 1 1 A 45 45 LYS HA H 45 4.132 4.036 0.096 1
1 526 . 17 1 1 A 45 45 LYS CA C 45 57.193 58.499 -1.306 1
1 527 . 17 1 1 A 45 45 LYS CB C 45 32.534 31.992 0.542 1
1 529 . 17 1 1 A 45 45 LYS N N 45 122.205 121.028 1.177 1
1 530 . 17 1 1 A 46 46 ALA H H 46 7.936 7.188 0.748 1
1 531 . 17 1 1 A 46 46 ALA HA H 46 4.179 4.138 0.041 1
1 535 . 17 1 1 A 46 46 ALA CA C 46 53.196 54.060 -0.864 1
1 536 . 17 1 1 A 46 46 ALA CB C 46 19.279 18.390 0.889 1
1 537 . 17 1 1 A 46 46 ALA N N 46 123.430 121.206 2.224 1
1 538 . 17 1 1 A 47 47 LEU H H 47 7.873 8.062 -0.189 1
1 539 . 17 1 1 A 47 47 LEU HA H 47 4.147 4.336 -0.189 1
1 549 . 17 1 1 A 47 47 LEU CA C 47 55.854 55.803 0.051 1
1 550 . 17 1 1 A 47 47 LEU CB C 47 42.536 44.435 -1.899 1
1 554 . 17 1 1 A 47 47 LEU N N 47 119.760 116.620 3.140 1
1 555 . 17 1 1 A 48 48 PHE H H 48 7.960 7.862 0.098 1
1 556 . 17 1 1 A 48 48 PHE HA H 48 4.540 5.028 -0.488 1
1 561 . 17 1 1 A 48 48 PHE CA C 48 58.150 56.377 1.773 1
1 562 . 17 1 1 A 48 48 PHE CB C 48 39.499 43.271 -3.772 1
1 563 . 17 1 1 A 48 48 PHE N N 48 119.481 115.316 4.165 1
1 564 . 17 1 1 A 49 49 SER H H 49 8.011 8.751 -0.740 1
1 565 . 17 1 1 A 49 49 SER HA H 49 4.333 4.730 -0.397 1
1 566 . 17 1 1 A 49 49 SER CA C 49 58.675 58.812 -0.137 1
1 567 . 17 1 1 A 49 49 SER N N 49 116.263 117.249 -0.986 1
1 568 . 17 1 1 A 50 50 GLN H H 50 8.252 8.366 -0.114 1
1 569 . 17 1 1 A 50 50 GLN HA H 50 4.250 4.197 0.053 1
1 576 . 17 1 1 A 50 50 GLN CA C 50 56.570 58.373 -1.803 1
1 577 . 17 1 1 A 50 50 GLN CB C 50 29.372 28.115 1.257 1
1 579 . 17 1 1 A 50 50 GLN N N 50 121.890 121.495 0.395 1
1 581 . 17 1 1 A 51 51 SER H H 51 8.143 8.240 -0.097 1
1 582 . 17 1 1 A 51 51 SER HA H 51 4.332 4.313 0.019 1
1 583 . 17 1 1 A 51 51 SER CA C 51 58.848 61.630 -2.782 1
1 584 . 17 1 1 A 51 51 SER N N 51 115.677 117.659 -1.982 1
1 585 . 17 1 1 A 52 52 ALA H H 52 8.168 8.272 -0.104 1
1 586 . 17 1 1 A 52 52 ALA HA H 52 4.261 4.126 0.135 1
1 590 . 17 1 1 A 52 52 ALA CA C 52 53.119 54.356 -1.237 1
1 591 . 17 1 1 A 52 52 ALA CB C 52 19.175 18.477 0.698 1
1 592 . 17 1 1 A 52 52 ALA N N 52 125.354 122.322 3.032 1
1 593 . 17 1 1 A 53 53 ILE H H 53 7.858 7.329 0.529 1
1 594 . 17 1 1 A 53 53 ILE HA H 53 4.094 4.185 -0.091 1
1 604 . 17 1 1 A 53 53 ILE CA C 53 61.666 61.243 0.423 1
1 605 . 17 1 1 A 53 53 ILE CB C 53 39.015 38.196 0.819 1
1 609 . 17 1 1 A 53 53 ILE N N 53 118.218 115.173 3.045 1
1 610 . 17 1 1 A 54 54 SER H H 54 8.152 7.552 0.600 1
1 611 . 17 1 1 A 54 54 SER HA H 54 4.348 4.319 0.029 1
1 614 . 17 1 1 A 54 54 SER CA C 54 58.678 59.974 -1.296 1
1 615 . 17 1 1 A 54 54 SER CB C 54 64.002 63.938 0.064 1
1 616 . 17 1 1 A 54 54 SER N N 54 118.590 118.151 0.439 1
1 617 . 17 1 1 A 55 55 GLN H H 55 8.298 8.867 -0.569 1
1 618 . 17 1 1 A 55 55 GLN HA H 55 4.198 4.120 0.078 1
1 625 . 17 1 1 A 55 55 GLN CA C 55 56.690 58.047 -1.357 1
1 626 . 17 1 1 A 55 55 GLN CB C 55 29.393 28.443 0.950 1
1 628 . 17 1 1 A 55 55 GLN N N 55 122.154 124.066 -1.912 1
1 630 . 17 1 1 A 56 56 LYS H H 56 8.153 7.914 0.239 1
1 631 . 17 1 1 A 56 56 LYS HA H 56 4.161 4.592 -0.431 1
1 636 . 17 1 1 A 56 56 LYS CA C 56 57.174 56.354 0.820 1
1 637 . 17 1 1 A 56 56 LYS CB C 56 32.991 33.730 -0.739 1
1 639 . 17 1 1 A 56 56 LYS N N 56 121.127 115.518 5.609 1
1 640 . 17 1 1 A 57 57 GLU H H 57 8.201 8.152 0.049 1
1 641 . 17 1 1 A 57 57 GLU HA H 57 4.151 4.349 -0.198 1
1 646 . 17 1 1 A 57 57 GLU CA C 57 57.273 57.389 -0.116 1
1 647 . 17 1 1 A 57 57 GLU CB C 57 30.262 31.082 -0.820 1
1 649 . 17 1 1 A 57 57 GLU N N 57 120.626 118.235 2.391 1
1 650 . 17 1 1 A 58 58 TYR H H 58 8.057 8.546 -0.489 1
1 651 . 17 1 1 A 58 58 TYR HA H 58 4.375 4.432 -0.057 1
1 658 . 17 1 1 A 58 58 TYR CA C 58 58.721 59.712 -0.991 1
1 659 . 17 1 1 A 58 58 TYR CB C 58 39.096 36.917 2.179 1
1 660 . 17 1 1 A 58 58 TYR N N 58 120.841 118.580 2.261 1
1 661 . 17 1 1 A 59 59 ASP H H 59 8.144 7.701 0.443 1
1 662 . 17 1 1 A 59 59 ASP HA H 59 4.493 4.243 0.250 1
1 665 . 17 1 1 A 59 59 ASP CA C 59 54.505 52.781 1.724 1
1 666 . 17 1 1 A 59 59 ASP CB C 59 41.233 39.841 1.392 1
1 667 . 17 1 1 A 59 59 ASP N N 59 122.549 118.956 3.593 1
1 668 . 17 1 1 A 60 60 SER H H 60 8.245 7.465 0.780 1
1 669 . 17 1 1 A 60 60 SER HA H 60 4.255 4.114 0.141 1
1 670 . 17 1 1 A 60 60 SER CA C 60 59.650 61.327 -1.677 1
1 671 . 17 1 1 A 60 60 SER N N 60 117.646 117.432 0.214 1
1 672 . 17 1 1 A 61 61 SER H H 61 8.329 8.180 0.149 1
1 673 . 17 1 1 A 61 61 SER HA H 61 4.307 4.322 -0.015 1
1 676 . 17 1 1 A 61 61 SER CA C 61 59.882 60.923 -1.041 1
1 677 . 17 1 1 A 61 61 SER CB C 61 63.888 63.004 0.884 1
1 678 . 17 1 1 A 61 61 SER N N 61 118.138 115.842 2.296 1
1 679 . 17 1 1 A 62 62 LEU H H 62 7.753 7.292 0.461 1
1 680 . 17 1 1 A 62 62 LEU HA H 62 4.227 4.198 0.029 1
1 690 . 17 1 1 A 62 62 LEU CA C 62 55.640 55.857 -0.217 1
1 691 . 17 1 1 A 62 62 LEU CB C 62 42.389 43.345 -0.956 1
1 695 . 17 1 1 A 62 62 LEU N N 62 122.616 120.199 2.417 1
1 696 . 17 1 1 A 63 63 ALA H H 63 7.908 7.689 0.219 1
1 697 . 17 1 1 A 63 63 ALA HA H 63 4.266 4.439 -0.173 1
1 701 . 17 1 1 A 63 63 ALA CA C 63 53.071 51.028 2.043 1
1 702 . 17 1 1 A 63 63 ALA CB C 63 19.373 20.409 -1.036 1
1 703 . 17 1 1 A 63 63 ALA N N 63 123.326 119.942 3.384 1
1 704 . 17 1 1 A 64 64 THR H H 64 7.855 8.026 -0.171 1
1 705 . 17 1 1 A 64 64 THR HA H 64 4.212 3.942 0.270 1
1 710 . 17 1 1 A 64 64 THR CA C 64 61.955 65.686 -3.731 1
1 711 . 17 1 1 A 64 64 THR CB C 64 69.997 67.226 2.771 1
1 713 . 17 1 1 A 64 64 THR N N 64 112.019 109.250 2.769 1
1 714 . 17 1 1 A 65 65 LEU H H 65 7.970 7.761 0.209 1
1 715 . 17 1 1 A 65 65 LEU HA H 65 4.290 4.377 -0.087 1
1 725 . 17 1 1 A 65 65 LEU CA C 65 55.509 53.880 1.629 1
1 726 . 17 1 1 A 65 65 LEU CB C 65 42.619 42.532 0.087 1
1 730 . 17 1 1 A 65 65 LEU N N 65 123.564 119.281 4.283 1
1 731 . 17 1 1 A 66 66 ASP H H 66 8.271 8.113 0.158 1
1 732 . 17 1 1 A 66 66 ASP HA H 66 4.538 4.170 0.368 1
1 735 . 17 1 1 A 66 66 ASP CA C 66 54.906 55.002 -0.096 1
1 736 . 17 1 1 A 66 66 ASP CB C 66 41.384 39.536 1.848 1
1 737 . 17 1 1 A 66 66 ASP N N 66 120.385 118.605 1.780 1
1 738 . 17 1 1 A 67 67 HIS H H 67 8.020 7.782 0.238 1
1 739 . 17 1 1 A 67 67 HIS HA H 67 5.236 5.136 0.100 1
1 744 . 17 1 1 A 67 67 HIS CA C 67 55.411 56.734 -1.323 1
1 745 . 17 1 1 A 67 67 HIS CB C 67 32.135 30.941 1.194 1
1 746 . 17 1 1 A 67 67 HIS N N 67 119.214 118.368 0.846 1
1 747 . 17 1 1 A 68 68 THR H H 68 8.903 8.756 0.147 1
1 748 . 17 1 1 A 68 68 THR HA H 68 4.474 4.892 -0.418 1
1 753 . 17 1 1 A 68 68 THR CA C 68 62.536 61.041 1.495 1
1 754 . 17 1 1 A 68 68 THR CB C 68 71.267 72.190 -0.923 1
1 756 . 17 1 1 A 68 68 THR N N 68 117.138 114.340 2.798 1
1 757 . 17 1 1 A 69 69 GLU H H 69 8.630 8.959 -0.329 1
1 758 . 17 1 1 A 69 69 GLU HA H 69 4.480 5.269 -0.789 1
1 763 . 17 1 1 A 69 69 GLU CA C 69 56.016 54.937 1.079 1
1 764 . 17 1 1 A 69 69 GLU CB C 69 31.824 33.059 -1.235 1
1 766 . 17 1 1 A 69 69 GLU N N 69 124.226 123.011 1.215 1
1 767 . 17 1 1 A 70 70 ILE H H 70 8.589 8.941 -0.352 1
1 768 . 17 1 1 A 70 70 ILE HA H 70 4.405 5.016 -0.611 1
1 778 . 17 1 1 A 70 70 ILE CA C 70 59.367 59.693 -0.326 1
1 779 . 17 1 1 A 70 70 ILE CB C 70 37.492 40.838 -3.346 1
1 783 . 17 1 1 A 70 70 ILE N N 70 123.526 121.711 1.815 1
1 784 . 17 1 1 A 71 71 LYS H H 71 8.910 8.947 -0.037 1
1 785 . 17 1 1 A 71 71 LYS HA H 71 5.070 5.017 0.053 1
1 790 . 17 1 1 A 71 71 LYS CA C 71 54.732 54.415 0.317 1
1 791 . 17 1 1 A 71 71 LYS CB C 71 36.388 36.149 0.239 1
1 793 . 17 1 1 A 71 71 LYS N N 71 128.313 124.186 4.127 1
1 794 . 17 1 1 A 72 72 ALA H H 72 8.623 8.900 -0.277 1
1 795 . 17 1 1 A 72 72 ALA HA H 72 4.060 4.329 -0.269 1
1 799 . 17 1 1 A 72 72 ALA CA C 72 50.119 50.931 -0.812 1
1 800 . 17 1 1 A 72 72 ALA CB C 72 17.261 18.212 -0.951 1
1 801 . 17 1 1 A 72 72 ALA N N 72 123.091 122.959 0.132 1
1 802 . 17 1 1 A 73 73 PRO HA H 73 4.328 4.462 -0.134 1
1 809 . 17 1 1 A 73 73 PRO CA C 73 63.731 64.427 -0.696 1
1 810 . 17 1 1 A 73 73 PRO CB C 73 32.196 31.944 0.252 1
1 813 . 17 1 1 A 74 74 PHE H H 74 6.758 6.957 -0.199 1
1 814 . 17 1 1 A 74 74 PHE HA H 74 4.414 4.932 -0.518 1
1 821 . 17 1 1 A 74 74 PHE CA C 74 54.539 56.115 -1.576 1
1 822 . 17 1 1 A 74 74 PHE CB C 74 40.862 40.353 0.509 1
1 823 . 17 1 1 A 74 74 PHE N N 74 112.045 112.992 -0.947 1
1 824 . 17 1 1 A 75 75 ASP H H 75 8.563 8.945 -0.382 1
1 825 . 17 1 1 A 75 75 ASP HA H 75 4.915 5.194 -0.279 1
1 828 . 17 1 1 A 75 75 ASP CA C 75 54.108 54.965 -0.857 1
1 829 . 17 1 1 A 75 75 ASP CB C 75 41.011 41.818 -0.807 1
1 830 . 17 1 1 A 75 75 ASP N N 75 118.284 121.010 -2.726 1
1 831 . 17 1 1 A 76 76 GLY H H 76 8.340 8.351 -0.011 1
1 832 . 17 1 1 A 76 76 GLY HA2 H 76 4.228 4.432 -0.204 1
1 833 . 17 1 1 A 76 76 GLY HA3 H 76 4.070 4.523 -0.453 1
1 834 . 17 1 1 A 76 76 GLY CA C 76 46.761 46.444 0.317 1
1 835 . 17 1 1 A 76 76 GLY N N 76 108.739 112.653 -3.914 1
1 836 . 17 1 1 A 77 77 THR H H 77 8.607 8.942 -0.335 1
1 837 . 17 1 1 A 77 77 THR HA H 77 4.966 5.102 -0.136 1
1 842 . 17 1 1 A 77 77 THR CA C 77 61.891 61.373 0.518 1
1 843 . 17 1 1 A 77 77 THR CB C 77 70.413 71.335 -0.922 1
1 845 . 17 1 1 A 77 77 THR N N 77 116.423 115.184 1.239 1
1 846 . 17 1 1 A 78 78 ILE H H 78 8.815 9.248 -0.433 1
1 847 . 17 1 1 A 78 78 ILE HA H 78 4.656 4.906 -0.250 1
1 857 . 17 1 1 A 78 78 ILE CA C 78 60.214 59.623 0.591 1
1 858 . 17 1 1 A 78 78 ILE CB C 78 43.110 40.909 2.201 1
1 862 . 17 1 1 A 78 78 ILE N N 78 129.313 128.932 0.381 1
1 863 . 17 1 1 A 79 79 GLY H H 79 8.052 8.931 -0.879 1
1 864 . 17 1 1 A 79 79 GLY HA2 H 79 4.394 4.165 0.229 1
1 865 . 17 1 1 A 79 79 GLY HA3 H 79 3.765 4.165 -0.400 1
1 866 . 17 1 1 A 79 79 GLY CA C 79 44.297 44.236 0.061 1
1 867 . 17 1 1 A 79 79 GLY N N 79 114.522 115.337 -0.815 1
1 868 . 17 1 1 A 80 80 ASP H H 80 7.792 8.643 -0.851 1
1 869 . 17 1 1 A 80 80 ASP HA H 80 4.706 4.630 0.076 1
1 872 . 17 1 1 A 80 80 ASP CA C 80 53.784 54.973 -1.189 1
1 873 . 17 1 1 A 80 80 ASP CB C 80 42.062 41.682 0.380 1
1 874 . 17 1 1 A 80 80 ASP N N 80 113.706 119.559 -5.853 1
1 875 . 17 1 1 A 81 81 ALA H H 81 8.552 8.744 -0.192 1
1 876 . 17 1 1 A 81 81 ALA HA H 81 4.567 4.769 -0.202 1
1 880 . 17 1 1 A 81 81 ALA CA C 81 53.345 52.740 0.605 1
1 881 . 17 1 1 A 81 81 ALA CB C 81 20.325 19.371 0.954 1
1 882 . 17 1 1 A 81 81 ALA N N 81 124.168 124.568 -0.400 1
1 883 . 17 1 1 A 82 82 LEU H H 82 8.734 9.303 -0.569 1
1 884 . 17 1 1 A 82 82 LEU HA H 82 4.338 4.770 -0.432 1
1 893 . 17 1 1 A 82 82 LEU CA C 82 55.320 54.223 1.097 1
1 894 . 17 1 1 A 82 82 LEU CB C 82 41.616 42.974 -1.358 1
1 897 . 17 1 1 A 82 82 LEU N N 82 121.830 120.813 1.017 1
1 898 . 17 1 1 A 83 83 VAL H H 83 7.136 7.646 -0.510 1
1 899 . 17 1 1 A 83 83 VAL HA H 83 4.489 4.877 -0.388 1
1 907 . 17 1 1 A 83 83 VAL CA C 83 58.552 58.932 -0.380 1
1 908 . 17 1 1 A 83 83 VAL CB C 83 35.418 36.112 -0.694 1
1 911 . 17 1 1 A 83 83 VAL N N 83 108.193 114.537 -6.344 1
1 912 . 17 1 1 A 84 84 ASN H H 84 9.073 9.095 -0.022 1
1 913 . 17 1 1 A 84 84 ASN HA H 84 4.872 5.313 -0.441 1
1 918 . 17 1 1 A 84 84 ASN CA C 84 51.417 51.552 -0.135 1
1 919 . 17 1 1 A 84 84 ASN CB C 84 42.127 43.104 -0.977 1
1 920 . 17 1 1 A 84 84 ASN N N 84 119.533 119.568 -0.035 1
1 922 . 17 1 1 A 85 85 ILE H H 85 8.390 8.527 -0.137 1
1 923 . 17 1 1 A 85 85 ILE HA H 85 3.384 3.681 -0.297 1
1 933 . 17 1 1 A 85 85 ILE CA C 85 63.985 64.096 -0.111 1
1 934 . 17 1 1 A 85 85 ILE CB C 85 37.368 37.477 -0.109 1
1 938 . 17 1 1 A 85 85 ILE N N 85 119.414 122.302 -2.888 1
1 939 . 17 1 1 A 86 86 GLY H H 86 9.229 8.818 0.411 1
1 940 . 17 1 1 A 86 86 GLY HA2 H 86 4.392 4.040 0.352 1
1 941 . 17 1 1 A 86 86 GLY HA3 H 86 3.412 4.048 -0.636 1
1 942 . 17 1 1 A 86 86 GLY CA C 86 44.946 44.921 0.025 1
1 943 . 17 1 1 A 86 86 GLY N N 86 117.337 115.568 1.769 1
1 944 . 17 1 1 A 87 87 ASP H H 87 7.956 8.275 -0.319 1
1 945 . 17 1 1 A 87 87 ASP HA H 87 4.599 4.709 -0.110 1
1 948 . 17 1 1 A 87 87 ASP CA C 87 55.055 54.891 0.164 1
1 949 . 17 1 1 A 87 87 ASP CB C 87 40.978 41.195 -0.217 1
1 950 . 17 1 1 A 87 87 ASP N N 87 121.511 121.805 -0.294 1
1 951 . 17 1 1 A 88 88 TYR H H 88 8.545 8.938 -0.393 1
1 952 . 17 1 1 A 88 88 TYR HA H 88 4.718 4.842 -0.124 1
1 959 . 17 1 1 A 88 88 TYR CA C 88 57.954 59.701 -1.747 1
1 960 . 17 1 1 A 88 88 TYR CB C 88 39.411 39.333 0.078 1
1 961 . 17 1 1 A 88 88 TYR N N 88 122.327 126.183 -3.856 1
1 962 . 17 1 1 A 89 89 VAL H H 89 8.937 8.420 0.517 1
1 963 . 17 1 1 A 89 89 VAL HA H 89 4.565 4.655 -0.090 1
1 971 . 17 1 1 A 89 89 VAL CA C 89 58.580 59.231 -0.651 1
1 972 . 17 1 1 A 89 89 VAL CB C 89 34.504 35.934 -1.430 1
1 975 . 17 1 1 A 89 89 VAL N N 89 121.838 121.432 0.406 1
1 976 . 17 1 1 A 90 90 SER H H 90 8.761 8.450 0.311 1
1 977 . 17 1 1 A 90 90 SER HA H 90 4.562 5.025 -0.463 1
1 980 . 17 1 1 A 90 90 SER CA C 90 56.974 55.911 1.063 1
1 981 . 17 1 1 A 90 90 SER CB C 90 65.027 65.424 -0.397 1
1 982 . 17 1 1 A 90 90 SER N N 90 114.806 116.170 -1.364 1
1 983 . 17 1 1 A 91 91 ALA H H 91 8.692 8.979 -0.287 1
1 984 . 17 1 1 A 91 91 ALA HA H 91 3.505 4.057 -0.552 1
1 988 . 17 1 1 A 91 91 ALA CA C 91 53.471 54.711 -1.240 1
1 989 . 17 1 1 A 91 91 ALA CB C 91 18.719 18.406 0.313 1
1 990 . 17 1 1 A 91 91 ALA N N 91 129.873 129.585 0.288 1
1 991 . 17 1 1 A 92 92 SER H H 92 9.156 7.874 1.282 1
1 992 . 17 1 1 A 92 92 SER HA H 92 3.804 4.636 -0.832 1
1 995 . 17 1 1 A 92 92 SER CA C 92 60.827 57.387 3.440 1
1 996 . 17 1 1 A 92 92 SER CB C 92 62.630 64.655 -2.025 1
1 997 . 17 1 1 A 92 92 SER N N 92 113.297 108.372 4.925 1
1 998 . 17 1 1 A 93 93 THR H H 93 7.806 7.646 0.160 1
1 999 . 17 1 1 A 93 93 THR HA H 93 4.387 4.404 -0.017 1
1 1004 . 17 1 1 A 93 93 THR CA C 93 64.607 63.221 1.386 1
1 1005 . 17 1 1 A 93 93 THR CB C 93 71.127 69.843 1.284 1
1 1007 . 17 1 1 A 93 93 THR N N 93 113.896 114.610 -0.714 1
1 1008 . 17 1 1 A 94 94 THR H H 94 7.691 7.247 0.444 1
1 1009 . 17 1 1 A 94 94 THR HA H 94 3.899 4.877 -0.978 1
1 1014 . 17 1 1 A 94 94 THR CA C 94 65.258 61.603 3.655 1
1 1015 . 17 1 1 A 94 94 THR CB C 94 70.283 71.312 -1.029 1
1 1017 . 17 1 1 A 94 94 THR N N 94 119.603 115.269 4.334 1
1 1018 . 17 1 1 A 95 95 GLU H H 95 8.389 8.967 -0.578 1
1 1019 . 17 1 1 A 95 95 GLU HA H 95 3.793 4.619 -0.826 1
1 1024 . 17 1 1 A 95 95 GLU CA C 95 56.783 55.304 1.479 1
1 1025 . 17 1 1 A 95 95 GLU CB C 95 29.777 31.382 -1.605 1
1 1027 . 17 1 1 A 95 95 GLU N N 95 124.816 126.840 -2.024 1
1 1028 . 17 1 1 A 96 96 LEU H H 96 8.735 8.795 -0.060 1
1 1029 . 17 1 1 A 96 96 LEU HA H 96 4.249 4.233 0.016 1
1 1039 . 17 1 1 A 96 96 LEU CA C 96 57.071 55.877 1.194 1
1 1040 . 17 1 1 A 96 96 LEU CB C 96 43.517 41.932 1.585 1
1 1044 . 17 1 1 A 96 96 LEU N N 96 120.104 126.478 -6.374 1
1 1045 . 17 1 1 A 97 97 VAL H H 97 7.049 7.309 -0.260 1
1 1046 . 17 1 1 A 97 97 VAL HA H 97 4.334 4.378 -0.044 1
1 1054 . 17 1 1 A 97 97 VAL CA C 97 61.411 60.890 0.521 1
1 1055 . 17 1 1 A 97 97 VAL CB C 97 31.724 34.395 -2.671 1
1 1058 . 17 1 1 A 97 97 VAL N N 97 112.399 114.335 -1.936 1
1 1059 . 17 1 1 A 98 98 ARG H H 98 8.968 8.620 0.348 1
1 1060 . 17 1 1 A 98 98 ARG HA H 98 5.255 5.204 0.051 1
1 1067 . 17 1 1 A 98 98 ARG CA C 98 55.391 55.344 0.047 1
1 1068 . 17 1 1 A 98 98 ARG CB C 98 32.925 32.048 0.877 1
1 1071 . 17 1 1 A 98 98 ARG N N 98 127.489 123.801 3.688 1
1 1072 . 17 1 1 A 99 99 VAL H H 99 8.884 8.440 0.444 1
1 1073 . 17 1 1 A 99 99 VAL HA H 99 4.554 4.918 -0.364 1
1 1078 . 17 1 1 A 99 99 VAL CA C 99 60.996 59.642 1.354 1
1 1079 . 17 1 1 A 99 99 VAL CB C 99 34.358 35.633 -1.275 1
1 1081 . 17 1 1 A 99 99 VAL N N 99 122.863 119.742 3.121 1
1 1082 . 17 1 1 A 100 100 THR H H 100 8.823 8.891 -0.068 1
1 1083 . 17 1 1 A 100 100 THR HA H 100 4.552 5.334 -0.782 1
1 1088 . 17 1 1 A 100 100 THR CA C 100 61.105 60.067 1.038 1
1 1089 . 17 1 1 A 100 100 THR CB C 100 70.859 72.093 -1.234 1
1 1091 . 17 1 1 A 100 100 THR N N 100 121.813 120.731 1.082 1
1 1092 . 17 1 1 A 101 101 ASN H H 101 8.146 9.126 -0.980 1
1 1093 . 17 1 1 A 101 101 ASN HA H 101 4.505 5.262 -0.757 1
1 1098 . 17 1 1 A 101 101 ASN CA C 101 54.283 51.880 2.403 1
1 1099 . 17 1 1 A 101 101 ASN CB C 101 38.631 39.454 -0.823 1
1 1100 . 17 1 1 A 101 101 ASN N N 101 122.582 127.023 -4.441 1
1 1102 . 17 1 1 A 102 102 LEU H H 102 8.154 8.672 -0.518 1
1 1103 . 17 1 1 A 102 102 LEU HA H 102 4.236 4.430 -0.194 1
1 1113 . 17 1 1 A 102 102 LEU CA C 102 55.618 54.821 0.797 1
1 1114 . 17 1 1 A 102 102 LEU CB C 102 42.842 42.481 0.361 1
1 1118 . 17 1 1 A 102 102 LEU N N 102 122.572 127.809 -5.237 1
1 1119 . 17 1 1 A 103 103 ASN H H 103 8.393 8.595 -0.202 1
1 1120 . 17 1 1 A 103 103 ASN HA H 103 4.862 4.803 0.059 1
1 1125 . 17 1 1 A 103 103 ASN CA C 103 51.431 52.035 -0.604 1
1 1126 . 17 1 1 A 103 103 ASN CB C 103 39.172 37.707 1.465 1
1 1127 . 17 1 1 A 103 103 ASN N N 103 120.155 119.132 1.023 1
1 1129 . 17 1 1 A 104 104 PRO HA H 104 4.224 4.780 -0.556 1
1 1136 . 17 1 1 A 104 104 PRO CA C 104 63.636 63.972 -0.336 1
1 1137 . 17 1 1 A 104 104 PRO CB C 104 32.301 31.919 0.382 1
1 1140 . 17 1 1 A 105 105 ILE H H 105 7.870 8.023 -0.153 1
1 1141 . 17 1 1 A 105 105 ILE HA H 105 3.934 4.098 -0.164 1
1 1151 . 17 1 1 A 105 105 ILE CA C 105 61.566 60.916 0.650 1
1 1152 . 17 1 1 A 105 105 ILE CB C 105 38.723 37.708 1.015 1
1 1156 . 17 1 1 A 105 105 ILE N N 105 119.425 116.470 2.955 1
1 1157 . 17 1 1 A 106 106 TYR H H 106 7.945 7.783 0.162 1
1 1158 . 17 1 1 A 106 106 TYR HA H 106 4.529 4.776 -0.247 1
1 1165 . 17 1 1 A 106 106 TYR CA C 106 57.548 58.495 -0.947 1
1 1166 . 17 1 1 A 106 106 TYR CB C 106 39.048 40.796 -1.748 1
1 1167 . 17 1 1 A 106 106 TYR N N 106 123.138 120.492 2.646 1
1 1168 . 17 1 1 A 107 107 ALA H H 107 8.113 7.594 0.519 1
1 1169 . 17 1 1 A 107 107 ALA HA H 107 4.213 4.727 -0.514 1
1 1173 . 17 1 1 A 107 107 ALA CA C 107 52.847 51.277 1.570 1
1 1174 . 17 1 1 A 107 107 ALA CB C 107 19.450 22.610 -3.160 1
1 1175 . 17 1 1 A 107 107 ALA N N 107 125.476 118.644 6.832 1
1 1176 . 17 1 1 A 108 108 ASP H H 108 8.140 9.057 -0.917 1
1 1177 . 17 1 1 A 108 108 ASP HA H 108 4.502 4.705 -0.203 1
1 1180 . 17 1 1 A 108 108 ASP CA C 108 54.515 54.574 -0.059 1
1 1181 . 17 1 1 A 108 108 ASP CB C 108 41.436 42.564 -1.128 1
1 1182 . 17 1 1 A 108 108 ASP N N 108 119.275 119.395 -0.120 1
1 1183 . 17 1 1 A 109 109 GLY H H 109 8.304 8.216 0.088 1
1 1184 . 17 1 1 A 109 109 GLY HA2 H 109 3.930 3.901 0.029 1
1 1185 . 17 1 1 A 109 109 GLY HA3 H 109 3.844 3.985 -0.141 1
1 1186 . 17 1 1 A 109 109 GLY CA C 109 45.809 44.669 1.140 1
1 1187 . 17 1 1 A 109 109 GLY N N 109 109.463 107.511 1.952 1
1 1188 . 17 1 1 A 110 110 SER H H 110 8.169 8.144 0.025 1
1 1189 . 17 1 1 A 110 110 SER HA H 110 4.263 4.711 -0.448 1
1 1190 . 17 1 1 A 110 110 SER CA C 110 59.017 58.857 0.160 1
1 1191 . 17 1 1 A 110 110 SER N N 110 115.630 116.406 -0.776 1
1 1192 . 17 1 1 A 111 111 HIS HA H 111 4.522 5.194 -0.672 1
1 1195 . 17 1 1 A 111 111 HIS CA C 111 56.269 53.345 2.924 1
1 1196 . 17 1 1 A 111 111 HIS CB C 111 30.558 32.604 -2.046 1
1 1197 . 17 1 1 A 112 112 HIS HA H 112 4.341 4.889 -0.548 1
1 1200 . 17 1 1 A 112 112 HIS CA C 112 57.660 54.571 3.089 1
1 2 . 18 1 1 A 2 2 VAL H H 2 8.608 8.435 0.173 1
1 3 . 18 1 1 A 2 2 VAL HA H 2 4.472 4.778 -0.306 1
1 11 . 18 1 1 A 2 2 VAL CA C 2 61.161 60.511 0.650 1
1 12 . 18 1 1 A 2 2 VAL CB C 2 35.825 35.675 0.150 1
1 15 . 18 1 1 A 2 2 VAL N N 2 117.995 118.140 -0.145 1
1 16 . 18 1 1 A 3 3 ILE H H 3 8.424 8.873 -0.449 1
1 17 . 18 1 1 A 3 3 ILE HA H 3 4.489 4.559 -0.070 1
1 27 . 18 1 1 A 3 3 ILE CA C 3 60.273 60.431 -0.158 1
1 28 . 18 1 1 A 3 3 ILE CB C 3 38.595 38.409 0.186 1
1 32 . 18 1 1 A 3 3 ILE N N 3 125.647 126.820 -1.173 1
1 33 . 18 1 1 A 4 4 ILE H H 4 8.531 8.831 -0.300 1
1 34 . 18 1 1 A 4 4 ILE HA H 4 3.990 4.123 -0.133 1
1 44 . 18 1 1 A 4 4 ILE CA C 4 61.656 61.834 -0.178 1
1 45 . 18 1 1 A 4 4 ILE CB C 4 38.183 38.546 -0.363 1
1 49 . 18 1 1 A 4 4 ILE N N 4 127.472 130.266 -2.794 1
1 50 . 18 1 1 A 5 5 LYS H H 5 8.277 8.832 -0.555 1
1 51 . 18 1 1 A 5 5 LYS HA H 5 5.164 4.723 0.441 1
1 60 . 18 1 1 A 5 5 LYS CA C 5 53.440 52.911 0.529 1
1 61 . 18 1 1 A 5 5 LYS CB C 5 33.808 35.355 -1.547 1
1 65 . 18 1 1 A 5 5 LYS N N 5 126.697 126.802 -0.105 1
1 66 . 18 1 1 A 6 6 PRO HA H 6 4.370 4.693 -0.323 1
1 73 . 18 1 1 A 6 6 PRO CA C 6 62.493 62.204 0.289 1
1 74 . 18 1 1 A 6 6 PRO CB C 6 32.091 32.727 -0.636 1
1 77 . 18 1 1 A 7 7 GLN H H 7 9.334 8.328 1.006 1
1 78 . 18 1 1 A 7 7 GLN HA H 7 4.348 4.124 0.224 1
1 85 . 18 1 1 A 7 7 GLN CA C 7 56.384 56.482 -0.098 1
1 86 . 18 1 1 A 7 7 GLN CB C 7 28.934 28.180 0.754 1
1 88 . 18 1 1 A 7 7 GLN N N 7 119.944 118.915 1.029 1
1 90 . 18 1 1 A 8 8 VAL H H 8 7.021 7.369 -0.348 1
1 91 . 18 1 1 A 8 8 VAL HA H 8 4.476 4.863 -0.387 1
1 99 . 18 1 1 A 8 8 VAL CA C 8 58.999 58.919 0.080 1
1 100 . 18 1 1 A 8 8 VAL CB C 8 35.347 36.014 -0.667 1
1 103 . 18 1 1 A 8 8 VAL N N 8 111.118 115.316 -4.198 1
1 104 . 18 1 1 A 9 9 SER H H 9 8.155 8.609 -0.454 1
1 105 . 18 1 1 A 9 9 SER HA H 9 4.945 5.151 -0.206 1
1 108 . 18 1 1 A 9 9 SER CA C 9 56.704 56.099 0.605 1
1 109 . 18 1 1 A 9 9 SER CB C 9 64.645 65.762 -1.117 1
1 110 . 18 1 1 A 9 9 SER N N 9 114.983 115.221 -0.238 1
1 111 . 18 1 1 A 10 10 GLY H H 10 7.981 8.211 -0.230 1
1 112 . 18 1 1 A 10 10 GLY HA2 H 10 4.416 4.016 0.400 1
1 113 . 18 1 1 A 10 10 GLY HA3 H 10 3.643 4.091 -0.448 1
1 114 . 18 1 1 A 10 10 GLY CA C 10 45.433 44.698 0.735 1
1 115 . 18 1 1 A 10 10 GLY N N 10 108.602 107.165 1.437 1
1 116 . 18 1 1 A 11 11 VAL H H 11 8.018 8.087 -0.069 1
1 117 . 18 1 1 A 11 11 VAL HA H 11 4.740 4.702 0.038 1
1 125 . 18 1 1 A 11 11 VAL CA C 11 60.580 60.440 0.140 1
1 126 . 18 1 1 A 11 11 VAL CB C 11 35.124 35.719 -0.595 1
1 129 . 18 1 1 A 11 11 VAL N N 11 118.346 120.163 -1.817 1
1 130 . 18 1 1 A 12 12 ILE H H 12 8.452 8.610 -0.158 1
1 131 . 18 1 1 A 12 12 ILE HA H 12 4.042 4.200 -0.158 1
1 141 . 18 1 1 A 12 12 ILE CA C 12 60.400 62.350 -1.950 1
1 142 . 18 1 1 A 12 12 ILE CB C 12 35.725 38.250 -2.525 1
1 146 . 18 1 1 A 12 12 ILE N N 12 125.267 125.750 -0.483 1
1 147 . 18 1 1 A 13 13 VAL H H 13 8.900 9.241 -0.341 1
1 148 . 18 1 1 A 13 13 VAL HA H 13 4.492 4.361 0.131 1
1 156 . 18 1 1 A 13 13 VAL CA C 13 62.168 63.374 -1.206 1
1 157 . 18 1 1 A 13 13 VAL CB C 13 33.406 34.006 -0.600 1
1 160 . 18 1 1 A 13 13 VAL N N 13 124.539 125.322 -0.783 1
1 161 . 18 1 1 A 14 14 ASN H H 14 7.649 7.461 0.188 1
1 162 . 18 1 1 A 14 14 ASN HA H 14 4.805 5.199 -0.394 1
1 167 . 18 1 1 A 14 14 ASN CA C 14 52.950 52.299 0.651 1
1 168 . 18 1 1 A 14 14 ASN CB C 14 42.149 41.972 0.177 1
1 169 . 18 1 1 A 14 14 ASN N N 14 115.008 117.211 -2.203 1
1 171 . 18 1 1 A 15 15 LYS H H 15 8.393 8.575 -0.182 1
1 172 . 18 1 1 A 15 15 LYS HA H 15 4.640 4.685 -0.045 1
1 179 . 18 1 1 A 15 15 LYS CA C 15 55.987 54.845 1.142 1
1 180 . 18 1 1 A 15 15 LYS CB C 15 35.412 33.241 2.171 1
1 183 . 18 1 1 A 15 15 LYS N N 15 123.820 122.524 1.296 1
1 184 . 18 1 1 A 16 16 LEU H H 16 8.015 8.411 -0.396 1
1 185 . 18 1 1 A 16 16 LEU HA H 16 4.983 3.856 1.127 1
1 195 . 18 1 1 A 16 16 LEU CA C 16 55.202 57.807 -2.605 1
1 196 . 18 1 1 A 16 16 LEU CB C 16 41.471 42.098 -0.627 1
1 200 . 18 1 1 A 16 16 LEU N N 16 126.200 126.391 -0.191 1
1 201 . 18 1 1 A 17 17 PHE H H 17 6.522 7.254 -0.732 1
1 202 . 18 1 1 A 17 17 PHE HA H 17 4.858 4.472 0.386 1
1 210 . 18 1 1 A 17 17 PHE CA C 17 55.675 56.839 -1.164 1
1 211 . 18 1 1 A 17 17 PHE CB C 17 41.329 40.420 0.909 1
1 212 . 18 1 1 A 17 17 PHE N N 17 113.650 116.280 -2.630 1
1 213 . 18 1 1 A 18 18 LYS H H 18 8.648 8.883 -0.235 1
1 214 . 18 1 1 A 18 18 LYS HA H 18 4.325 4.375 -0.050 1
1 223 . 18 1 1 A 18 18 LYS CA C 18 54.442 53.695 0.747 1
1 224 . 18 1 1 A 18 18 LYS CB C 18 35.233 35.863 -0.630 1
1 228 . 18 1 1 A 18 18 LYS N N 18 120.586 118.083 2.503 1
1 229 . 18 1 1 A 19 19 ALA H H 19 8.396 8.363 0.033 1
1 230 . 18 1 1 A 19 19 ALA HA H 19 3.956 4.242 -0.286 1
1 234 . 18 1 1 A 19 19 ALA CA C 19 54.151 53.963 0.188 1
1 235 . 18 1 1 A 19 19 ALA CB C 19 18.681 18.439 0.242 1
1 236 . 18 1 1 A 19 19 ALA N N 19 123.901 126.657 -2.756 1
1 237 . 18 1 1 A 20 20 GLY H H 20 8.806 8.667 0.139 1
1 238 . 18 1 1 A 20 20 GLY HA2 H 20 4.299 3.991 0.308 1
1 239 . 18 1 1 A 20 20 GLY HA3 H 20 3.523 4.018 -0.495 1
1 240 . 18 1 1 A 20 20 GLY CA C 20 45.190 45.147 0.043 1
1 241 . 18 1 1 A 20 20 GLY N N 20 112.460 111.996 0.464 1
1 242 . 18 1 1 A 21 21 ASP H H 21 7.923 8.127 -0.204 1
1 243 . 18 1 1 A 21 21 ASP HA H 21 4.489 4.812 -0.323 1
1 246 . 18 1 1 A 21 21 ASP CA C 21 55.477 52.587 2.890 1
1 247 . 18 1 1 A 21 21 ASP CB C 21 41.593 42.508 -0.915 1
1 248 . 18 1 1 A 21 21 ASP N N 21 121.531 121.880 -0.349 1
1 249 . 18 1 1 A 22 22 LYS H H 22 8.292 8.352 -0.060 1
1 250 . 18 1 1 A 22 22 LYS HA H 22 4.861 5.307 -0.446 1
1 259 . 18 1 1 A 22 22 LYS CA C 22 55.789 54.895 0.894 1
1 260 . 18 1 1 A 22 22 LYS CB C 22 31.948 36.545 -4.597 1
1 264 . 18 1 1 A 22 22 LYS N N 22 120.223 119.441 0.782 1
1 265 . 18 1 1 A 23 23 VAL H H 23 8.929 8.991 -0.062 1
1 266 . 18 1 1 A 23 23 VAL HA H 23 4.828 4.790 0.038 1
1 274 . 18 1 1 A 23 23 VAL CA C 23 58.619 59.215 -0.596 1
1 275 . 18 1 1 A 23 23 VAL CB C 23 34.776 35.678 -0.902 1
1 278 . 18 1 1 A 23 23 VAL N N 23 117.770 118.513 -0.743 1
1 279 . 18 1 1 A 24 24 LYS H H 24 7.952 8.462 -0.510 1
1 280 . 18 1 1 A 24 24 LYS HA H 24 4.828 4.439 0.389 1
1 289 . 18 1 1 A 24 24 LYS CA C 24 53.316 55.491 -2.175 1
1 290 . 18 1 1 A 24 24 LYS CB C 24 35.370 33.653 1.717 1
1 294 . 18 1 1 A 24 24 LYS N N 24 121.890 125.362 -3.472 1
1 295 . 18 1 1 A 25 25 LYS H H 25 8.903 8.602 0.301 1
1 296 . 18 1 1 A 25 25 LYS HA H 25 3.152 4.389 -1.237 1
1 304 . 18 1 1 A 25 25 LYS CA C 25 58.780 56.029 2.751 1
1 305 . 18 1 1 A 25 25 LYS CB C 25 32.788 31.633 1.155 1
1 309 . 18 1 1 A 25 25 LYS N N 25 121.717 122.310 -0.593 1
1 310 . 18 1 1 A 26 26 GLY H H 26 8.887 8.265 0.622 1
1 311 . 18 1 1 A 26 26 GLY HA2 H 26 4.277 4.006 0.271 1
1 312 . 18 1 1 A 26 26 GLY HA3 H 26 3.462 4.039 -0.577 1
1 313 . 18 1 1 A 26 26 GLY CA C 26 45.387 44.944 0.443 1
1 314 . 18 1 1 A 26 26 GLY N N 26 115.271 107.062 8.209 1
1 315 . 18 1 1 A 27 27 GLN H H 27 8.423 8.018 0.405 1
1 316 . 18 1 1 A 27 27 GLN HA H 27 4.134 4.334 -0.200 1
1 323 . 18 1 1 A 27 27 GLN CA C 27 56.461 56.141 0.320 1
1 324 . 18 1 1 A 27 27 GLN CB C 27 30.655 29.023 1.632 1
1 326 . 18 1 1 A 27 27 GLN N N 27 123.160 120.019 3.141 1
1 328 . 18 1 1 A 28 28 THR H H 28 9.094 8.771 0.323 1
1 329 . 18 1 1 A 28 28 THR HA H 28 3.884 4.189 -0.305 1
1 334 . 18 1 1 A 28 28 THR CA C 28 66.017 64.129 1.888 1
1 335 . 18 1 1 A 28 28 THR CB C 28 68.577 69.151 -0.574 1
1 337 . 18 1 1 A 28 28 THR N N 28 124.723 117.917 6.806 1
1 338 . 18 1 1 A 29 29 LEU H H 29 9.499 9.433 0.066 1
1 339 . 18 1 1 A 29 29 LEU HA H 29 4.373 4.421 -0.048 1
1 349 . 18 1 1 A 29 29 LEU CA C 29 55.960 55.715 0.245 1
1 350 . 18 1 1 A 29 29 LEU CB C 29 44.601 43.304 1.297 1
1 354 . 18 1 1 A 29 29 LEU N N 29 125.894 127.135 -1.241 1
1 355 . 18 1 1 A 30 30 PHE H H 30 7.572 7.673 -0.101 1
1 356 . 18 1 1 A 30 30 PHE HA H 30 5.360 5.443 -0.083 1
1 364 . 18 1 1 A 30 30 PHE CA C 30 55.655 56.179 -0.524 1
1 365 . 18 1 1 A 30 30 PHE CB C 30 45.053 43.164 1.889 1
1 366 . 18 1 1 A 30 30 PHE N N 30 111.166 114.767 -3.601 1
1 367 . 18 1 1 A 31 31 ILE H H 31 7.850 8.486 -0.636 1
1 368 . 18 1 1 A 31 31 ILE HA H 31 4.808 4.820 -0.012 1
1 378 . 18 1 1 A 31 31 ILE CA C 31 60.159 60.017 0.142 1
1 379 . 18 1 1 A 31 31 ILE CB C 31 39.584 41.720 -2.136 1
1 383 . 18 1 1 A 31 31 ILE N N 31 119.419 120.003 -0.584 1
1 384 . 18 1 1 A 32 32 ILE H H 32 9.095 9.265 -0.170 1
1 385 . 18 1 1 A 32 32 ILE HA H 32 4.830 5.385 -0.555 1
1 395 . 18 1 1 A 32 32 ILE CA C 32 59.205 59.835 -0.630 1
1 396 . 18 1 1 A 32 32 ILE CB C 32 42.206 40.903 1.303 1
1 400 . 18 1 1 A 32 32 ILE N N 32 127.930 127.169 0.761 1
1 401 . 18 1 1 A 33 33 GLU H H 33 9.089 8.901 0.188 1
1 402 . 18 1 1 A 33 33 GLU HA H 33 4.674 4.562 0.112 1
1 407 . 18 1 1 A 33 33 GLU CA C 33 55.047 55.067 -0.020 1
1 408 . 18 1 1 A 33 33 GLU CB C 33 31.851 30.649 1.202 1
1 410 . 18 1 1 A 33 33 GLU N N 33 128.159 126.228 1.931 1
1 411 . 18 1 1 A 34 34 GLN H H 34 8.705 9.040 -0.335 1
1 412 . 18 1 1 A 34 34 GLN HA H 34 4.362 4.146 0.216 1
1 419 . 18 1 1 A 34 34 GLN CA C 34 56.933 58.554 -1.621 1
1 420 . 18 1 1 A 34 34 GLN CB C 34 30.273 29.472 0.801 1
1 422 . 18 1 1 A 34 34 GLN N N 34 128.144 125.726 2.418 1
1 424 . 18 1 1 A 35 35 ASP H H 35 8.488 7.578 0.910 1
1 425 . 18 1 1 A 35 35 ASP HA H 35 4.608 4.761 -0.153 1
1 428 . 18 1 1 A 35 35 ASP CA C 35 54.124 53.385 0.739 1
1 429 . 18 1 1 A 35 35 ASP CB C 35 41.702 42.727 -1.025 1
1 430 . 18 1 1 A 35 35 ASP N N 35 122.441 115.032 7.409 1
1 431 . 18 1 1 A 36 36 GLN H H 36 8.604 8.450 0.154 1
1 432 . 18 1 1 A 36 36 GLN HA H 36 4.021 4.740 -0.719 1
1 439 . 18 1 1 A 36 36 GLN CA C 36 57.273 54.727 2.546 1
1 440 . 18 1 1 A 36 36 GLN CB C 36 29.266 29.007 0.259 1
1 442 . 18 1 1 A 36 36 GLN N N 36 123.042 118.258 4.784 1
1 444 . 18 1 1 A 37 37 ALA H H 37 8.313 7.932 0.381 1
1 445 . 18 1 1 A 37 37 ALA HA H 37 4.212 4.085 0.127 1
1 449 . 18 1 1 A 37 37 ALA CA C 37 53.708 55.230 -1.522 1
1 450 . 18 1 1 A 37 37 ALA CB C 37 18.949 18.082 0.867 1
1 451 . 18 1 1 A 37 37 ALA N N 37 122.748 124.515 -1.767 1
1 452 . 18 1 1 A 38 38 SER H H 38 7.949 7.874 0.075 1
1 453 . 18 1 1 A 38 38 SER HA H 38 4.285 4.536 -0.251 1
1 456 . 18 1 1 A 38 38 SER CA C 38 59.468 60.103 -0.635 1
1 457 . 18 1 1 A 38 38 SER CB C 38 63.874 63.651 0.223 1
1 458 . 18 1 1 A 38 38 SER N N 38 113.828 114.070 -0.242 1
1 459 . 18 1 1 A 39 39 LYS H H 39 8.107 7.827 0.280 1
1 460 . 18 1 1 A 39 39 LYS HA H 39 4.124 3.949 0.175 1
1 469 . 18 1 1 A 39 39 LYS CA C 39 57.821 59.684 -1.863 1
1 470 . 18 1 1 A 39 39 LYS CB C 39 32.978 32.032 0.946 1
1 474 . 18 1 1 A 39 39 LYS N N 39 122.900 122.527 0.373 1
1 475 . 18 1 1 A 40 40 ASP H H 40 8.173 8.143 0.030 1
1 476 . 18 1 1 A 40 40 ASP HA H 40 4.477 4.428 0.049 1
1 479 . 18 1 1 A 40 40 ASP CA C 40 55.164 57.202 -2.038 1
1 480 . 18 1 1 A 40 40 ASP CB C 40 41.359 41.066 0.293 1
1 481 . 18 1 1 A 40 40 ASP N N 40 119.696 119.392 0.304 1
1 482 . 18 1 1 A 41 41 PHE H H 41 8.022 8.350 -0.328 1
1 483 . 18 1 1 A 41 41 PHE HA H 41 4.376 4.146 0.230 1
1 488 . 18 1 1 A 41 41 PHE CA C 41 59.354 60.654 -1.300 1
1 489 . 18 1 1 A 41 41 PHE CB C 41 39.414 39.178 0.236 1
1 490 . 18 1 1 A 41 41 PHE N N 41 121.310 120.151 1.159 1
1 491 . 18 1 1 A 42 42 ASN H H 42 8.247 8.915 -0.668 1
1 492 . 18 1 1 A 42 42 ASN HA H 42 4.483 4.572 -0.089 1
1 497 . 18 1 1 A 42 42 ASN CA C 42 54.383 56.091 -1.708 1
1 498 . 18 1 1 A 42 42 ASN CB C 42 38.853 39.219 -0.366 1
1 499 . 18 1 1 A 42 42 ASN N N 42 119.282 116.929 2.353 1
1 501 . 18 1 1 A 43 43 ARG H H 43 8.048 7.770 0.278 1
1 502 . 18 1 1 A 43 43 ARG HA H 43 4.130 4.045 0.085 1
1 509 . 18 1 1 A 43 43 ARG CA C 43 57.429 59.346 -1.917 1
1 510 . 18 1 1 A 43 43 ARG CB C 43 30.503 29.931 0.572 1
1 513 . 18 1 1 A 43 43 ARG N N 43 121.050 120.074 0.976 1
1 514 . 18 1 1 A 44 44 SER H H 44 8.111 8.114 -0.003 1
1 515 . 18 1 1 A 44 44 SER HA H 44 4.262 4.185 0.077 1
1 518 . 18 1 1 A 44 44 SER CA C 44 59.660 61.297 -1.637 1
1 519 . 18 1 1 A 44 44 SER CB C 44 63.810 62.627 1.183 1
1 520 . 18 1 1 A 44 44 SER N N 44 115.587 115.291 0.296 1
1 521 . 18 1 1 A 45 45 LYS H H 45 7.968 7.739 0.229 1
1 522 . 18 1 1 A 45 45 LYS HA H 45 4.132 4.381 -0.249 1
1 526 . 18 1 1 A 45 45 LYS CA C 45 57.193 56.920 0.273 1
1 527 . 18 1 1 A 45 45 LYS CB C 45 32.534 32.874 -0.340 1
1 529 . 18 1 1 A 45 45 LYS N N 45 122.205 119.741 2.464 1
1 530 . 18 1 1 A 46 46 ALA H H 46 7.936 7.347 0.589 1
1 531 . 18 1 1 A 46 46 ALA HA H 46 4.179 4.403 -0.224 1
1 535 . 18 1 1 A 46 46 ALA CA C 46 53.196 52.771 0.425 1
1 536 . 18 1 1 A 46 46 ALA CB C 46 19.279 19.023 0.256 1
1 537 . 18 1 1 A 46 46 ALA N N 46 123.430 120.095 3.335 1
1 538 . 18 1 1 A 47 47 LEU H H 47 7.873 7.277 0.596 1
1 539 . 18 1 1 A 47 47 LEU HA H 47 4.147 4.227 -0.080 1
1 549 . 18 1 1 A 47 47 LEU CA C 47 55.854 55.668 0.186 1
1 550 . 18 1 1 A 47 47 LEU CB C 47 42.536 43.016 -0.480 1
1 554 . 18 1 1 A 47 47 LEU N N 47 119.760 120.554 -0.794 1
1 555 . 18 1 1 A 48 48 PHE H H 48 7.960 9.209 -1.249 1
1 556 . 18 1 1 A 48 48 PHE HA H 48 4.540 4.345 0.195 1
1 561 . 18 1 1 A 48 48 PHE CA C 48 58.150 62.049 -3.899 1
1 562 . 18 1 1 A 48 48 PHE CB C 48 39.499 38.800 0.699 1
1 563 . 18 1 1 A 48 48 PHE N N 48 119.481 126.485 -7.004 1
1 564 . 18 1 1 A 49 49 SER H H 49 8.011 8.047 -0.036 1
1 565 . 18 1 1 A 49 49 SER HA H 49 4.333 3.599 0.734 1
1 566 . 18 1 1 A 49 49 SER CA C 49 58.675 61.517 -2.842 1
1 567 . 18 1 1 A 49 49 SER N N 49 116.263 113.976 2.287 1
1 568 . 18 1 1 A 50 50 GLN H H 50 8.252 7.733 0.519 1
1 569 . 18 1 1 A 50 50 GLN HA H 50 4.250 4.228 0.022 1
1 576 . 18 1 1 A 50 50 GLN CA C 50 56.570 57.833 -1.263 1
1 577 . 18 1 1 A 50 50 GLN CB C 50 29.372 28.841 0.531 1
1 579 . 18 1 1 A 50 50 GLN N N 50 121.890 120.189 1.701 1
1 581 . 18 1 1 A 51 51 SER H H 51 8.143 8.026 0.117 1
1 582 . 18 1 1 A 51 51 SER HA H 51 4.332 4.179 0.153 1
1 583 . 18 1 1 A 51 51 SER CA C 51 58.848 61.766 -2.918 1
1 584 . 18 1 1 A 51 51 SER N N 51 115.677 117.464 -1.787 1
1 585 . 18 1 1 A 52 52 ALA H H 52 8.168 7.631 0.537 1
1 586 . 18 1 1 A 52 52 ALA HA H 52 4.261 4.193 0.068 1
1 590 . 18 1 1 A 52 52 ALA CA C 52 53.119 53.505 -0.386 1
1 591 . 18 1 1 A 52 52 ALA CB C 52 19.175 19.344 -0.169 1
1 592 . 18 1 1 A 52 52 ALA N N 52 125.354 122.547 2.807 1
1 593 . 18 1 1 A 53 53 ILE H H 53 7.858 8.036 -0.178 1
1 594 . 18 1 1 A 53 53 ILE HA H 53 4.094 3.903 0.191 1
1 604 . 18 1 1 A 53 53 ILE CA C 53 61.666 63.581 -1.915 1
1 605 . 18 1 1 A 53 53 ILE CB C 53 39.015 36.901 2.114 1
1 609 . 18 1 1 A 53 53 ILE N N 53 118.218 116.282 1.936 1
1 610 . 18 1 1 A 54 54 SER H H 54 8.152 8.470 -0.318 1
1 611 . 18 1 1 A 54 54 SER HA H 54 4.348 4.059 0.289 1
1 614 . 18 1 1 A 54 54 SER CA C 54 58.678 58.892 -0.214 1
1 615 . 18 1 1 A 54 54 SER CB C 54 64.002 61.867 2.135 1
1 616 . 18 1 1 A 54 54 SER N N 54 118.590 114.389 4.201 1
1 617 . 18 1 1 A 55 55 GLN H H 55 8.298 8.047 0.251 1
1 618 . 18 1 1 A 55 55 GLN HA H 55 4.198 2.751 1.447 1
1 625 . 18 1 1 A 55 55 GLN CA C 55 56.690 57.637 -0.947 1
1 626 . 18 1 1 A 55 55 GLN CB C 55 29.393 28.155 1.238 1
1 628 . 18 1 1 A 55 55 GLN N N 55 122.154 124.928 -2.774 1
1 630 . 18 1 1 A 56 56 LYS H H 56 8.153 7.807 0.346 1
1 631 . 18 1 1 A 56 56 LYS HA H 56 4.161 4.510 -0.349 1
1 636 . 18 1 1 A 56 56 LYS CA C 56 57.174 55.761 1.413 1
1 637 . 18 1 1 A 56 56 LYS CB C 56 32.991 33.517 -0.526 1
1 639 . 18 1 1 A 56 56 LYS N N 56 121.127 117.617 3.510 1
1 640 . 18 1 1 A 57 57 GLU H H 57 8.201 8.179 0.022 1
1 641 . 18 1 1 A 57 57 GLU HA H 57 4.151 4.520 -0.369 1
1 646 . 18 1 1 A 57 57 GLU CA C 57 57.273 57.352 -0.079 1
1 647 . 18 1 1 A 57 57 GLU CB C 57 30.262 31.484 -1.222 1
1 649 . 18 1 1 A 57 57 GLU N N 57 120.626 116.744 3.882 1
1 650 . 18 1 1 A 58 58 TYR H H 58 8.057 8.568 -0.511 1
1 651 . 18 1 1 A 58 58 TYR HA H 58 4.375 4.428 -0.053 1
1 658 . 18 1 1 A 58 58 TYR CA C 58 58.721 59.841 -1.120 1
1 659 . 18 1 1 A 58 58 TYR CB C 58 39.096 37.039 2.057 1
1 660 . 18 1 1 A 58 58 TYR N N 58 120.841 118.904 1.937 1
1 661 . 18 1 1 A 59 59 ASP H H 59 8.144 8.739 -0.595 1
1 662 . 18 1 1 A 59 59 ASP HA H 59 4.493 4.161 0.332 1
1 665 . 18 1 1 A 59 59 ASP CA C 59 54.505 56.148 -1.643 1
1 666 . 18 1 1 A 59 59 ASP CB C 59 41.233 39.051 2.182 1
1 667 . 18 1 1 A 59 59 ASP N N 59 122.549 121.367 1.182 1
1 668 . 18 1 1 A 60 60 SER H H 60 8.245 8.259 -0.014 1
1 669 . 18 1 1 A 60 60 SER HA H 60 4.255 4.143 0.112 1
1 670 . 18 1 1 A 60 60 SER CA C 60 59.650 61.745 -2.095 1
1 671 . 18 1 1 A 60 60 SER N N 60 117.646 117.439 0.207 1
1 672 . 18 1 1 A 61 61 SER H H 61 8.329 8.086 0.243 1
1 673 . 18 1 1 A 61 61 SER HA H 61 4.307 4.304 0.003 1
1 676 . 18 1 1 A 61 61 SER CA C 61 59.882 62.072 -2.190 1
1 677 . 18 1 1 A 61 61 SER CB C 61 63.888 62.934 0.954 1
1 678 . 18 1 1 A 61 61 SER N N 61 118.138 117.845 0.293 1
1 679 . 18 1 1 A 62 62 LEU H H 62 7.753 7.184 0.569 1
1 680 . 18 1 1 A 62 62 LEU HA H 62 4.227 4.092 0.135 1
1 690 . 18 1 1 A 62 62 LEU CA C 62 55.640 56.760 -1.120 1
1 691 . 18 1 1 A 62 62 LEU CB C 62 42.389 41.739 0.650 1
1 695 . 18 1 1 A 62 62 LEU N N 62 122.616 119.388 3.228 1
1 696 . 18 1 1 A 63 63 ALA H H 63 7.908 7.897 0.011 1
1 697 . 18 1 1 A 63 63 ALA HA H 63 4.266 4.155 0.111 1
1 701 . 18 1 1 A 63 63 ALA CA C 63 53.071 50.920 2.151 1
1 702 . 18 1 1 A 63 63 ALA CB C 63 19.373 19.438 -0.065 1
1 703 . 18 1 1 A 63 63 ALA N N 63 123.326 121.877 1.449 1
1 704 . 18 1 1 A 64 64 THR H H 64 7.855 8.293 -0.438 1
1 705 . 18 1 1 A 64 64 THR HA H 64 4.212 4.618 -0.406 1
1 710 . 18 1 1 A 64 64 THR CA C 64 61.955 64.041 -2.086 1
1 711 . 18 1 1 A 64 64 THR CB C 64 69.997 70.394 -0.397 1
1 713 . 18 1 1 A 64 64 THR N N 64 112.019 112.762 -0.743 1
1 714 . 18 1 1 A 65 65 LEU H H 65 7.970 8.092 -0.122 1
1 715 . 18 1 1 A 65 65 LEU HA H 65 4.290 4.082 0.208 1
1 725 . 18 1 1 A 65 65 LEU CA C 65 55.509 57.643 -2.134 1
1 726 . 18 1 1 A 65 65 LEU CB C 65 42.619 41.849 0.770 1
1 730 . 18 1 1 A 65 65 LEU N N 65 123.564 119.865 3.699 1
1 731 . 18 1 1 A 66 66 ASP H H 66 8.271 7.658 0.613 1
1 732 . 18 1 1 A 66 66 ASP HA H 66 4.538 4.799 -0.261 1
1 735 . 18 1 1 A 66 66 ASP CA C 66 54.906 53.304 1.602 1
1 736 . 18 1 1 A 66 66 ASP CB C 66 41.384 41.353 0.031 1
1 737 . 18 1 1 A 66 66 ASP N N 66 120.385 113.192 7.193 1
1 738 . 18 1 1 A 67 67 HIS H H 67 8.020 7.556 0.464 1
1 739 . 18 1 1 A 67 67 HIS HA H 67 5.236 5.427 -0.191 1
1 744 . 18 1 1 A 67 67 HIS CA C 67 55.411 54.641 0.770 1
1 745 . 18 1 1 A 67 67 HIS CB C 67 32.135 32.770 -0.635 1
1 746 . 18 1 1 A 67 67 HIS N N 67 119.214 119.622 -0.408 1
1 747 . 18 1 1 A 68 68 THR H H 68 8.903 9.041 -0.138 1
1 748 . 18 1 1 A 68 68 THR HA H 68 4.474 4.844 -0.370 1
1 753 . 18 1 1 A 68 68 THR CA C 68 62.536 61.311 1.225 1
1 754 . 18 1 1 A 68 68 THR CB C 68 71.267 72.086 -0.819 1
1 756 . 18 1 1 A 68 68 THR N N 68 117.138 115.147 1.991 1
1 757 . 18 1 1 A 69 69 GLU H H 69 8.630 8.609 0.021 1
1 758 . 18 1 1 A 69 69 GLU HA H 69 4.480 4.482 -0.002 1
1 763 . 18 1 1 A 69 69 GLU CA C 69 56.016 56.219 -0.203 1
1 764 . 18 1 1 A 69 69 GLU CB C 69 31.824 30.313 1.511 1
1 766 . 18 1 1 A 69 69 GLU N N 69 124.226 125.982 -1.756 1
1 767 . 18 1 1 A 70 70 ILE H H 70 8.589 8.708 -0.119 1
1 768 . 18 1 1 A 70 70 ILE HA H 70 4.405 4.921 -0.516 1
1 778 . 18 1 1 A 70 70 ILE CA C 70 59.367 59.946 -0.579 1
1 779 . 18 1 1 A 70 70 ILE CB C 70 37.492 40.974 -3.482 1
1 783 . 18 1 1 A 70 70 ILE N N 70 123.526 122.545 0.981 1
1 784 . 18 1 1 A 71 71 LYS H H 71 8.910 8.971 -0.061 1
1 785 . 18 1 1 A 71 71 LYS HA H 71 5.070 5.021 0.049 1
1 790 . 18 1 1 A 71 71 LYS CA C 71 54.732 54.385 0.347 1
1 791 . 18 1 1 A 71 71 LYS CB C 71 36.388 36.163 0.225 1
1 793 . 18 1 1 A 71 71 LYS N N 71 128.313 124.531 3.782 1
1 794 . 18 1 1 A 72 72 ALA H H 72 8.623 8.970 -0.347 1
1 795 . 18 1 1 A 72 72 ALA HA H 72 4.060 4.333 -0.273 1
1 799 . 18 1 1 A 72 72 ALA CA C 72 50.119 50.835 -0.716 1
1 800 . 18 1 1 A 72 72 ALA CB C 72 17.261 18.155 -0.894 1
1 801 . 18 1 1 A 72 72 ALA N N 72 123.091 122.603 0.488 1
1 802 . 18 1 1 A 73 73 PRO HA H 73 4.328 4.408 -0.080 1
1 809 . 18 1 1 A 73 73 PRO CA C 73 63.731 64.330 -0.599 1
1 810 . 18 1 1 A 73 73 PRO CB C 73 32.196 31.774 0.422 1
1 813 . 18 1 1 A 74 74 PHE H H 74 6.758 6.867 -0.109 1
1 814 . 18 1 1 A 74 74 PHE HA H 74 4.414 4.933 -0.519 1
1 821 . 18 1 1 A 74 74 PHE CA C 74 54.539 56.107 -1.568 1
1 822 . 18 1 1 A 74 74 PHE CB C 74 40.862 40.500 0.362 1
1 823 . 18 1 1 A 74 74 PHE N N 74 112.045 112.956 -0.911 1
1 824 . 18 1 1 A 75 75 ASP H H 75 8.563 8.870 -0.307 1
1 825 . 18 1 1 A 75 75 ASP HA H 75 4.915 5.267 -0.352 1
1 828 . 18 1 1 A 75 75 ASP CA C 75 54.108 55.176 -1.068 1
1 829 . 18 1 1 A 75 75 ASP CB C 75 41.011 41.823 -0.812 1
1 830 . 18 1 1 A 75 75 ASP N N 75 118.284 120.558 -2.274 1
1 831 . 18 1 1 A 76 76 GLY H H 76 8.340 8.251 0.089 1
1 832 . 18 1 1 A 76 76 GLY HA2 H 76 4.228 4.344 -0.116 1
1 833 . 18 1 1 A 76 76 GLY HA3 H 76 4.070 4.431 -0.361 1
1 834 . 18 1 1 A 76 76 GLY CA C 76 46.761 46.259 0.502 1
1 835 . 18 1 1 A 76 76 GLY N N 76 108.739 111.566 -2.827 1
1 836 . 18 1 1 A 77 77 THR H H 77 8.607 9.135 -0.528 1
1 837 . 18 1 1 A 77 77 THR HA H 77 4.966 5.085 -0.119 1
1 842 . 18 1 1 A 77 77 THR CA C 77 61.891 61.631 0.260 1
1 843 . 18 1 1 A 77 77 THR CB C 77 70.413 71.262 -0.849 1
1 845 . 18 1 1 A 77 77 THR N N 77 116.423 116.189 0.234 1
1 846 . 18 1 1 A 78 78 ILE H H 78 8.815 8.610 0.205 1
1 847 . 18 1 1 A 78 78 ILE HA H 78 4.656 4.921 -0.265 1
1 857 . 18 1 1 A 78 78 ILE CA C 78 60.214 59.776 0.438 1
1 858 . 18 1 1 A 78 78 ILE CB C 78 43.110 41.739 1.371 1
1 862 . 18 1 1 A 78 78 ILE N N 78 129.313 122.601 6.712 1
1 863 . 18 1 1 A 79 79 GLY H H 79 8.052 8.906 -0.854 1
1 864 . 18 1 1 A 79 79 GLY HA2 H 79 4.394 4.150 0.244 1
1 865 . 18 1 1 A 79 79 GLY HA3 H 79 3.765 4.157 -0.392 1
1 866 . 18 1 1 A 79 79 GLY CA C 79 44.297 44.328 -0.031 1
1 867 . 18 1 1 A 79 79 GLY N N 79 114.522 116.390 -1.868 1
1 868 . 18 1 1 A 80 80 ASP H H 80 7.792 8.561 -0.769 1
1 869 . 18 1 1 A 80 80 ASP HA H 80 4.706 4.567 0.139 1
1 872 . 18 1 1 A 80 80 ASP CA C 80 53.784 54.635 -0.851 1
1 873 . 18 1 1 A 80 80 ASP CB C 80 42.062 40.930 1.132 1
1 874 . 18 1 1 A 80 80 ASP N N 80 113.706 118.530 -4.824 1
1 875 . 18 1 1 A 81 81 ALA H H 81 8.552 8.761 -0.209 1
1 876 . 18 1 1 A 81 81 ALA HA H 81 4.567 4.690 -0.123 1
1 880 . 18 1 1 A 81 81 ALA CA C 81 53.345 53.080 0.265 1
1 881 . 18 1 1 A 81 81 ALA CB C 81 20.325 19.169 1.156 1
1 882 . 18 1 1 A 81 81 ALA N N 81 124.168 126.180 -2.012 1
1 883 . 18 1 1 A 82 82 LEU H H 82 8.734 9.520 -0.786 1
1 884 . 18 1 1 A 82 82 LEU HA H 82 4.338 4.698 -0.360 1
1 893 . 18 1 1 A 82 82 LEU CA C 82 55.320 54.783 0.537 1
1 894 . 18 1 1 A 82 82 LEU CB C 82 41.616 43.115 -1.499 1
1 897 . 18 1 1 A 82 82 LEU N N 82 121.830 123.159 -1.329 1
1 898 . 18 1 1 A 83 83 VAL H H 83 7.136 7.624 -0.488 1
1 899 . 18 1 1 A 83 83 VAL HA H 83 4.489 4.932 -0.443 1
1 907 . 18 1 1 A 83 83 VAL CA C 83 58.552 58.642 -0.090 1
1 908 . 18 1 1 A 83 83 VAL CB C 83 35.418 36.039 -0.621 1
1 911 . 18 1 1 A 83 83 VAL N N 83 108.193 112.920 -4.727 1
1 912 . 18 1 1 A 84 84 ASN H H 84 9.073 8.966 0.107 1
1 913 . 18 1 1 A 84 84 ASN HA H 84 4.872 5.325 -0.453 1
1 918 . 18 1 1 A 84 84 ASN CA C 84 51.417 51.397 0.020 1
1 919 . 18 1 1 A 84 84 ASN CB C 84 42.127 42.995 -0.868 1
1 920 . 18 1 1 A 84 84 ASN N N 84 119.533 119.476 0.057 1
1 922 . 18 1 1 A 85 85 ILE H H 85 8.390 8.538 -0.148 1
1 923 . 18 1 1 A 85 85 ILE HA H 85 3.384 3.705 -0.321 1
1 933 . 18 1 1 A 85 85 ILE CA C 85 63.985 63.963 0.022 1
1 934 . 18 1 1 A 85 85 ILE CB C 85 37.368 37.257 0.111 1
1 938 . 18 1 1 A 85 85 ILE N N 85 119.414 122.441 -3.027 1
1 939 . 18 1 1 A 86 86 GLY H H 86 9.229 8.578 0.651 1
1 940 . 18 1 1 A 86 86 GLY HA2 H 86 4.392 4.064 0.328 1
1 941 . 18 1 1 A 86 86 GLY HA3 H 86 3.412 4.067 -0.655 1
1 942 . 18 1 1 A 86 86 GLY CA C 86 44.946 44.955 -0.009 1
1 943 . 18 1 1 A 86 86 GLY N N 86 117.337 115.556 1.781 1
1 944 . 18 1 1 A 87 87 ASP H H 87 7.956 8.414 -0.458 1
1 945 . 18 1 1 A 87 87 ASP HA H 87 4.599 4.681 -0.082 1
1 948 . 18 1 1 A 87 87 ASP CA C 87 55.055 54.892 0.163 1
1 949 . 18 1 1 A 87 87 ASP CB C 87 40.978 41.282 -0.304 1
1 950 . 18 1 1 A 87 87 ASP N N 87 121.511 121.996 -0.485 1
1 951 . 18 1 1 A 88 88 TYR H H 88 8.545 8.844 -0.299 1
1 952 . 18 1 1 A 88 88 TYR HA H 88 4.718 4.724 -0.006 1
1 959 . 18 1 1 A 88 88 TYR CA C 88 57.954 57.348 0.606 1
1 960 . 18 1 1 A 88 88 TYR CB C 88 39.411 38.521 0.890 1
1 961 . 18 1 1 A 88 88 TYR N N 88 122.327 125.836 -3.509 1
1 962 . 18 1 1 A 89 89 VAL H H 89 8.937 8.479 0.458 1
1 963 . 18 1 1 A 89 89 VAL HA H 89 4.565 5.030 -0.465 1
1 971 . 18 1 1 A 89 89 VAL CA C 89 58.580 59.541 -0.961 1
1 972 . 18 1 1 A 89 89 VAL CB C 89 34.504 33.760 0.744 1
1 975 . 18 1 1 A 89 89 VAL N N 89 121.838 122.935 -1.097 1
1 976 . 18 1 1 A 90 90 SER H H 90 8.761 8.492 0.269 1
1 977 . 18 1 1 A 90 90 SER HA H 90 4.562 5.122 -0.560 1
1 980 . 18 1 1 A 90 90 SER CA C 90 56.974 56.205 0.769 1
1 981 . 18 1 1 A 90 90 SER CB C 90 65.027 65.641 -0.614 1
1 982 . 18 1 1 A 90 90 SER N N 90 114.806 116.819 -2.013 1
1 983 . 18 1 1 A 91 91 ALA H H 91 8.692 8.948 -0.256 1
1 984 . 18 1 1 A 91 91 ALA HA H 91 3.505 4.094 -0.589 1
1 988 . 18 1 1 A 91 91 ALA CA C 91 53.471 54.762 -1.291 1
1 989 . 18 1 1 A 91 91 ALA CB C 91 18.719 18.388 0.331 1
1 990 . 18 1 1 A 91 91 ALA N N 91 129.873 129.144 0.729 1
1 991 . 18 1 1 A 92 92 SER H H 92 9.156 7.915 1.241 1
1 992 . 18 1 1 A 92 92 SER HA H 92 3.804 4.649 -0.845 1
1 995 . 18 1 1 A 92 92 SER CA C 92 60.827 57.118 3.709 1
1 996 . 18 1 1 A 92 92 SER CB C 92 62.630 64.620 -1.990 1
1 997 . 18 1 1 A 92 92 SER N N 92 113.297 108.157 5.140 1
1 998 . 18 1 1 A 93 93 THR H H 93 7.806 7.509 0.297 1
1 999 . 18 1 1 A 93 93 THR HA H 93 4.387 4.400 -0.013 1
1 1004 . 18 1 1 A 93 93 THR CA C 93 64.607 63.265 1.342 1
1 1005 . 18 1 1 A 93 93 THR CB C 93 71.127 69.966 1.161 1
1 1007 . 18 1 1 A 93 93 THR N N 93 113.896 114.944 -1.048 1
1 1008 . 18 1 1 A 94 94 THR H H 94 7.691 7.632 0.059 1
1 1009 . 18 1 1 A 94 94 THR HA H 94 3.899 4.484 -0.585 1
1 1014 . 18 1 1 A 94 94 THR CA C 94 65.258 62.344 2.914 1
1 1015 . 18 1 1 A 94 94 THR CB C 94 70.283 71.384 -1.101 1
1 1017 . 18 1 1 A 94 94 THR N N 94 119.603 111.160 8.443 1
1 1018 . 18 1 1 A 95 95 GLU H H 95 8.389 7.995 0.394 1
1 1019 . 18 1 1 A 95 95 GLU HA H 95 3.793 4.160 -0.367 1
1 1024 . 18 1 1 A 95 95 GLU CA C 95 56.783 57.553 -0.770 1
1 1025 . 18 1 1 A 95 95 GLU CB C 95 29.777 28.467 1.310 1
1 1027 . 18 1 1 A 95 95 GLU N N 95 124.816 117.945 6.871 1
1 1028 . 18 1 1 A 96 96 LEU H H 96 8.735 8.318 0.417 1
1 1029 . 18 1 1 A 96 96 LEU HA H 96 4.249 4.239 0.010 1
1 1039 . 18 1 1 A 96 96 LEU CA C 96 57.071 55.748 1.323 1
1 1040 . 18 1 1 A 96 96 LEU CB C 96 43.517 42.285 1.232 1
1 1044 . 18 1 1 A 96 96 LEU N N 96 120.104 125.226 -5.122 1
1 1045 . 18 1 1 A 97 97 VAL H H 97 7.049 7.316 -0.267 1
1 1046 . 18 1 1 A 97 97 VAL HA H 97 4.334 4.344 -0.010 1
1 1054 . 18 1 1 A 97 97 VAL CA C 97 61.411 60.935 0.476 1
1 1055 . 18 1 1 A 97 97 VAL CB C 97 31.724 33.983 -2.259 1
1 1058 . 18 1 1 A 97 97 VAL N N 97 112.399 114.284 -1.885 1
1 1059 . 18 1 1 A 98 98 ARG H H 98 8.968 8.561 0.407 1
1 1060 . 18 1 1 A 98 98 ARG HA H 98 5.255 5.311 -0.056 1
1 1067 . 18 1 1 A 98 98 ARG CA C 98 55.391 54.520 0.871 1
1 1068 . 18 1 1 A 98 98 ARG CB C 98 32.925 33.422 -0.497 1
1 1071 . 18 1 1 A 98 98 ARG N N 98 127.489 121.768 5.721 1
1 1072 . 18 1 1 A 99 99 VAL H H 99 8.884 8.747 0.137 1
1 1073 . 18 1 1 A 99 99 VAL HA H 99 4.554 4.863 -0.309 1
1 1078 . 18 1 1 A 99 99 VAL CA C 99 60.996 61.156 -0.160 1
1 1079 . 18 1 1 A 99 99 VAL CB C 99 34.358 34.000 0.358 1
1 1081 . 18 1 1 A 99 99 VAL N N 99 122.863 122.586 0.277 1
1 1082 . 18 1 1 A 100 100 THR H H 100 8.823 9.270 -0.447 1
1 1083 . 18 1 1 A 100 100 THR HA H 100 4.552 5.159 -0.607 1
1 1088 . 18 1 1 A 100 100 THR CA C 100 61.105 60.557 0.548 1
1 1089 . 18 1 1 A 100 100 THR CB C 100 70.859 71.618 -0.759 1
1 1091 . 18 1 1 A 100 100 THR N N 100 121.813 120.912 0.901 1
1 1092 . 18 1 1 A 101 101 ASN H H 101 8.146 8.964 -0.818 1
1 1093 . 18 1 1 A 101 101 ASN HA H 101 4.505 4.610 -0.105 1
1 1098 . 18 1 1 A 101 101 ASN CA C 101 54.283 53.432 0.851 1
1 1099 . 18 1 1 A 101 101 ASN CB C 101 38.631 38.901 -0.270 1
1 1100 . 18 1 1 A 101 101 ASN N N 101 122.582 127.173 -4.591 1
1 1102 . 18 1 1 A 102 102 LEU H H 102 8.154 7.989 0.165 1
1 1103 . 18 1 1 A 102 102 LEU HA H 102 4.236 3.982 0.254 1
1 1113 . 18 1 1 A 102 102 LEU CA C 102 55.618 57.148 -1.530 1
1 1114 . 18 1 1 A 102 102 LEU CB C 102 42.842 40.796 2.046 1
1 1118 . 18 1 1 A 102 102 LEU N N 102 122.572 118.530 4.042 1
1 1119 . 18 1 1 A 103 103 ASN H H 103 8.393 8.154 0.239 1
1 1120 . 18 1 1 A 103 103 ASN HA H 103 4.862 4.996 -0.134 1
1 1125 . 18 1 1 A 103 103 ASN CA C 103 51.431 49.425 2.006 1
1 1126 . 18 1 1 A 103 103 ASN CB C 103 39.172 39.626 -0.454 1
1 1127 . 18 1 1 A 103 103 ASN N N 103 120.155 118.318 1.837 1
1 1129 . 18 1 1 A 104 104 PRO HA H 104 4.224 4.427 -0.203 1
1 1136 . 18 1 1 A 104 104 PRO CA C 104 63.636 63.888 -0.252 1
1 1137 . 18 1 1 A 104 104 PRO CB C 104 32.301 32.208 0.093 1
1 1140 . 18 1 1 A 105 105 ILE H H 105 7.870 8.039 -0.169 1
1 1141 . 18 1 1 A 105 105 ILE HA H 105 3.934 4.582 -0.648 1
1 1151 . 18 1 1 A 105 105 ILE CA C 105 61.566 60.617 0.949 1
1 1152 . 18 1 1 A 105 105 ILE CB C 105 38.723 39.218 -0.495 1
1 1156 . 18 1 1 A 105 105 ILE N N 105 119.425 117.140 2.285 1
1 1157 . 18 1 1 A 106 106 TYR H H 106 7.945 7.606 0.339 1
1 1158 . 18 1 1 A 106 106 TYR HA H 106 4.529 4.511 0.018 1
1 1165 . 18 1 1 A 106 106 TYR CA C 106 57.548 59.952 -2.404 1
1 1166 . 18 1 1 A 106 106 TYR CB C 106 39.048 37.566 1.482 1
1 1167 . 18 1 1 A 106 106 TYR N N 106 123.138 120.728 2.410 1
1 1168 . 18 1 1 A 107 107 ALA H H 107 8.113 7.909 0.204 1
1 1169 . 18 1 1 A 107 107 ALA HA H 107 4.213 4.254 -0.041 1
1 1173 . 18 1 1 A 107 107 ALA CA C 107 52.847 54.395 -1.548 1
1 1174 . 18 1 1 A 107 107 ALA CB C 107 19.450 19.039 0.411 1
1 1175 . 18 1 1 A 107 107 ALA N N 107 125.476 121.311 4.165 1
1 1176 . 18 1 1 A 108 108 ASP H H 108 8.140 7.768 0.372 1
1 1177 . 18 1 1 A 108 108 ASP HA H 108 4.502 5.021 -0.519 1
1 1180 . 18 1 1 A 108 108 ASP CA C 108 54.515 53.669 0.846 1
1 1181 . 18 1 1 A 108 108 ASP CB C 108 41.436 44.227 -2.791 1
1 1182 . 18 1 1 A 108 108 ASP N N 108 119.275 115.042 4.233 1
1 1183 . 18 1 1 A 109 109 GLY H H 109 8.304 8.316 -0.012 1
1 1184 . 18 1 1 A 109 109 GLY HA2 H 109 3.930 3.957 -0.027 1
1 1185 . 18 1 1 A 109 109 GLY HA3 H 109 3.844 3.958 -0.114 1
1 1186 . 18 1 1 A 109 109 GLY CA C 109 45.809 45.433 0.376 1
1 1187 . 18 1 1 A 109 109 GLY N N 109 109.463 110.891 -1.428 1
1 1188 . 18 1 1 A 110 110 SER H H 110 8.169 7.889 0.280 1
1 1189 . 18 1 1 A 110 110 SER HA H 110 4.263 4.159 0.104 1
1 1190 . 18 1 1 A 110 110 SER CA C 110 59.017 56.813 2.204 1
1 1191 . 18 1 1 A 110 110 SER N N 110 115.630 114.315 1.315 1
1 1192 . 18 1 1 A 111 111 HIS HA H 111 4.522 4.281 0.241 1
1 1195 . 18 1 1 A 111 111 HIS CA C 111 56.269 58.640 -2.371 1
1 1196 . 18 1 1 A 111 111 HIS CB C 111 30.558 30.916 -0.358 1
1 1197 . 18 1 1 A 112 112 HIS HA H 112 4.341 4.144 0.197 1
1 1200 . 18 1 1 A 112 112 HIS CA C 112 57.660 57.367 0.293 1
1 2 . 19 1 1 A 2 2 VAL H H 2 8.608 8.073 0.535 1
1 3 . 19 1 1 A 2 2 VAL HA H 2 4.472 4.087 0.385 1
1 11 . 19 1 1 A 2 2 VAL CA C 2 61.161 62.588 -1.427 1
1 12 . 19 1 1 A 2 2 VAL CB C 2 35.825 32.445 3.380 1
1 15 . 19 1 1 A 2 2 VAL N N 2 117.995 117.973 0.022 1
1 16 . 19 1 1 A 3 3 ILE H H 3 8.424 8.840 -0.416 1
1 17 . 19 1 1 A 3 3 ILE HA H 3 4.489 4.630 -0.141 1
1 27 . 19 1 1 A 3 3 ILE CA C 3 60.273 60.508 -0.235 1
1 28 . 19 1 1 A 3 3 ILE CB C 3 38.595 38.829 -0.234 1
1 32 . 19 1 1 A 3 3 ILE N N 3 125.647 126.583 -0.936 1
1 33 . 19 1 1 A 4 4 ILE H H 4 8.531 8.781 -0.250 1
1 34 . 19 1 1 A 4 4 ILE HA H 4 3.990 4.099 -0.109 1
1 44 . 19 1 1 A 4 4 ILE CA C 4 61.656 61.938 -0.282 1
1 45 . 19 1 1 A 4 4 ILE CB C 4 38.183 38.643 -0.460 1
1 49 . 19 1 1 A 4 4 ILE N N 4 127.472 130.250 -2.778 1
1 50 . 19 1 1 A 5 5 LYS H H 5 8.277 8.840 -0.563 1
1 51 . 19 1 1 A 5 5 LYS HA H 5 5.164 4.729 0.435 1
1 60 . 19 1 1 A 5 5 LYS CA C 5 53.440 52.930 0.510 1
1 61 . 19 1 1 A 5 5 LYS CB C 5 33.808 35.256 -1.448 1
1 65 . 19 1 1 A 5 5 LYS N N 5 126.697 126.296 0.401 1
1 66 . 19 1 1 A 6 6 PRO HA H 6 4.370 4.666 -0.296 1
1 73 . 19 1 1 A 6 6 PRO CA C 6 62.493 62.484 0.009 1
1 74 . 19 1 1 A 6 6 PRO CB C 6 32.091 32.865 -0.774 1
1 77 . 19 1 1 A 7 7 GLN H H 7 9.334 8.299 1.035 1
1 78 . 19 1 1 A 7 7 GLN HA H 7 4.348 4.339 0.009 1
1 85 . 19 1 1 A 7 7 GLN CA C 7 56.384 55.706 0.678 1
1 86 . 19 1 1 A 7 7 GLN CB C 7 28.934 29.060 -0.126 1
1 88 . 19 1 1 A 7 7 GLN N N 7 119.944 117.629 2.315 1
1 90 . 19 1 1 A 8 8 VAL H H 8 7.021 7.414 -0.393 1
1 91 . 19 1 1 A 8 8 VAL HA H 8 4.476 4.865 -0.389 1
1 99 . 19 1 1 A 8 8 VAL CA C 8 58.999 58.809 0.190 1
1 100 . 19 1 1 A 8 8 VAL CB C 8 35.347 36.149 -0.802 1
1 103 . 19 1 1 A 8 8 VAL N N 8 111.118 115.387 -4.269 1
1 104 . 19 1 1 A 9 9 SER H H 9 8.155 8.630 -0.475 1
1 105 . 19 1 1 A 9 9 SER HA H 9 4.945 5.172 -0.227 1
1 108 . 19 1 1 A 9 9 SER CA C 9 56.704 56.027 0.677 1
1 109 . 19 1 1 A 9 9 SER CB C 9 64.645 65.876 -1.231 1
1 110 . 19 1 1 A 9 9 SER N N 9 114.983 115.104 -0.121 1
1 111 . 19 1 1 A 10 10 GLY H H 10 7.981 8.250 -0.269 1
1 112 . 19 1 1 A 10 10 GLY HA2 H 10 4.416 4.061 0.355 1
1 113 . 19 1 1 A 10 10 GLY HA3 H 10 3.643 4.124 -0.481 1
1 114 . 19 1 1 A 10 10 GLY CA C 10 45.433 44.976 0.457 1
1 115 . 19 1 1 A 10 10 GLY N N 10 108.602 107.221 1.381 1
1 116 . 19 1 1 A 11 11 VAL H H 11 8.018 7.957 0.061 1
1 117 . 19 1 1 A 11 11 VAL HA H 11 4.740 4.736 0.004 1
1 125 . 19 1 1 A 11 11 VAL CA C 11 60.580 60.494 0.086 1
1 126 . 19 1 1 A 11 11 VAL CB C 11 35.124 35.612 -0.488 1
1 129 . 19 1 1 A 11 11 VAL N N 11 118.346 120.474 -2.128 1
1 130 . 19 1 1 A 12 12 ILE H H 12 8.452 8.544 -0.092 1
1 131 . 19 1 1 A 12 12 ILE HA H 12 4.042 4.233 -0.191 1
1 141 . 19 1 1 A 12 12 ILE CA C 12 60.400 62.269 -1.869 1
1 142 . 19 1 1 A 12 12 ILE CB C 12 35.725 38.142 -2.417 1
1 146 . 19 1 1 A 12 12 ILE N N 12 125.267 125.592 -0.325 1
1 147 . 19 1 1 A 13 13 VAL H H 13 8.900 9.252 -0.352 1
1 148 . 19 1 1 A 13 13 VAL HA H 13 4.492 4.294 0.198 1
1 156 . 19 1 1 A 13 13 VAL CA C 13 62.168 63.338 -1.170 1
1 157 . 19 1 1 A 13 13 VAL CB C 13 33.406 33.799 -0.393 1
1 160 . 19 1 1 A 13 13 VAL N N 13 124.539 125.417 -0.878 1
1 161 . 19 1 1 A 14 14 ASN H H 14 7.649 7.407 0.242 1
1 162 . 19 1 1 A 14 14 ASN HA H 14 4.805 5.203 -0.398 1
1 167 . 19 1 1 A 14 14 ASN CA C 14 52.950 52.273 0.677 1
1 168 . 19 1 1 A 14 14 ASN CB C 14 42.149 41.959 0.190 1
1 169 . 19 1 1 A 14 14 ASN N N 14 115.008 116.750 -1.742 1
1 171 . 19 1 1 A 15 15 LYS H H 15 8.393 8.502 -0.109 1
1 172 . 19 1 1 A 15 15 LYS HA H 15 4.640 4.695 -0.055 1
1 179 . 19 1 1 A 15 15 LYS CA C 15 55.987 54.864 1.123 1
1 180 . 19 1 1 A 15 15 LYS CB C 15 35.412 33.289 2.123 1
1 183 . 19 1 1 A 15 15 LYS N N 15 123.820 122.269 1.551 1
1 184 . 19 1 1 A 16 16 LEU H H 16 8.015 8.482 -0.467 1
1 185 . 19 1 1 A 16 16 LEU HA H 16 4.983 3.962 1.021 1
1 195 . 19 1 1 A 16 16 LEU CA C 16 55.202 57.550 -2.348 1
1 196 . 19 1 1 A 16 16 LEU CB C 16 41.471 41.973 -0.502 1
1 200 . 19 1 1 A 16 16 LEU N N 16 126.200 126.318 -0.118 1
1 201 . 19 1 1 A 17 17 PHE H H 17 6.522 7.172 -0.650 1
1 202 . 19 1 1 A 17 17 PHE HA H 17 4.858 4.612 0.246 1
1 210 . 19 1 1 A 17 17 PHE CA C 17 55.675 55.553 0.122 1
1 211 . 19 1 1 A 17 17 PHE CB C 17 41.329 41.148 0.181 1
1 212 . 19 1 1 A 17 17 PHE N N 17 113.650 116.067 -2.417 1
1 213 . 19 1 1 A 18 18 LYS H H 18 8.648 8.694 -0.046 1
1 214 . 19 1 1 A 18 18 LYS HA H 18 4.325 4.399 -0.074 1
1 223 . 19 1 1 A 18 18 LYS CA C 18 54.442 53.777 0.665 1
1 224 . 19 1 1 A 18 18 LYS CB C 18 35.233 35.849 -0.616 1
1 228 . 19 1 1 A 18 18 LYS N N 18 120.586 117.843 2.743 1
1 229 . 19 1 1 A 19 19 ALA H H 19 8.396 8.347 0.049 1
1 230 . 19 1 1 A 19 19 ALA HA H 19 3.956 4.253 -0.297 1
1 234 . 19 1 1 A 19 19 ALA CA C 19 54.151 53.639 0.512 1
1 235 . 19 1 1 A 19 19 ALA CB C 19 18.681 18.284 0.397 1
1 236 . 19 1 1 A 19 19 ALA N N 19 123.901 126.463 -2.562 1
1 237 . 19 1 1 A 20 20 GLY H H 20 8.806 8.690 0.116 1
1 238 . 19 1 1 A 20 20 GLY HA2 H 20 4.299 3.988 0.311 1
1 239 . 19 1 1 A 20 20 GLY HA3 H 20 3.523 4.010 -0.487 1
1 240 . 19 1 1 A 20 20 GLY CA C 20 45.190 45.088 0.102 1
1 241 . 19 1 1 A 20 20 GLY N N 20 112.460 110.626 1.834 1
1 242 . 19 1 1 A 21 21 ASP H H 21 7.923 7.857 0.066 1
1 243 . 19 1 1 A 21 21 ASP HA H 21 4.489 4.816 -0.327 1
1 246 . 19 1 1 A 21 21 ASP CA C 21 55.477 52.938 2.539 1
1 247 . 19 1 1 A 21 21 ASP CB C 21 41.593 42.715 -1.122 1
1 248 . 19 1 1 A 21 21 ASP N N 21 121.531 121.966 -0.435 1
1 249 . 19 1 1 A 22 22 LYS H H 22 8.292 8.297 -0.005 1
1 250 . 19 1 1 A 22 22 LYS HA H 22 4.861 5.050 -0.189 1
1 259 . 19 1 1 A 22 22 LYS CA C 22 55.789 54.547 1.242 1
1 260 . 19 1 1 A 22 22 LYS CB C 22 31.948 36.049 -4.101 1
1 264 . 19 1 1 A 22 22 LYS N N 22 120.223 119.347 0.876 1
1 265 . 19 1 1 A 23 23 VAL H H 23 8.929 9.048 -0.119 1
1 266 . 19 1 1 A 23 23 VAL HA H 23 4.828 5.064 -0.236 1
1 274 . 19 1 1 A 23 23 VAL CA C 23 58.619 59.228 -0.609 1
1 275 . 19 1 1 A 23 23 VAL CB C 23 34.776 35.524 -0.748 1
1 278 . 19 1 1 A 23 23 VAL N N 23 117.770 118.792 -1.022 1
1 279 . 19 1 1 A 24 24 LYS H H 24 7.952 8.463 -0.511 1
1 280 . 19 1 1 A 24 24 LYS HA H 24 4.828 4.491 0.337 1
1 289 . 19 1 1 A 24 24 LYS CA C 24 53.316 55.704 -2.388 1
1 290 . 19 1 1 A 24 24 LYS CB C 24 35.370 33.353 2.017 1
1 294 . 19 1 1 A 24 24 LYS N N 24 121.890 124.955 -3.065 1
1 295 . 19 1 1 A 25 25 LYS H H 25 8.903 8.652 0.251 1
1 296 . 19 1 1 A 25 25 LYS HA H 25 3.152 3.967 -0.815 1
1 304 . 19 1 1 A 25 25 LYS CA C 25 58.780 56.943 1.837 1
1 305 . 19 1 1 A 25 25 LYS CB C 25 32.788 30.700 2.088 1
1 309 . 19 1 1 A 25 25 LYS N N 25 121.717 123.569 -1.852 1
1 310 . 19 1 1 A 26 26 GLY H H 26 8.887 8.842 0.045 1
1 311 . 19 1 1 A 26 26 GLY HA2 H 26 4.277 3.816 0.461 1
1 312 . 19 1 1 A 26 26 GLY HA3 H 26 3.462 3.865 -0.403 1
1 313 . 19 1 1 A 26 26 GLY CA C 26 45.387 45.624 -0.237 1
1 314 . 19 1 1 A 26 26 GLY N N 26 115.271 104.230 11.041 1
1 315 . 19 1 1 A 27 27 GLN H H 27 8.423 8.095 0.328 1
1 316 . 19 1 1 A 27 27 GLN HA H 27 4.134 4.319 -0.185 1
1 323 . 19 1 1 A 27 27 GLN CA C 27 56.461 56.134 0.327 1
1 324 . 19 1 1 A 27 27 GLN CB C 27 30.655 29.072 1.583 1
1 326 . 19 1 1 A 27 27 GLN N N 27 123.160 119.974 3.186 1
1 328 . 19 1 1 A 28 28 THR H H 28 9.094 8.695 0.399 1
1 329 . 19 1 1 A 28 28 THR HA H 28 3.884 4.165 -0.281 1
1 334 . 19 1 1 A 28 28 THR CA C 28 66.017 64.220 1.797 1
1 335 . 19 1 1 A 28 28 THR CB C 28 68.577 69.011 -0.434 1
1 337 . 19 1 1 A 28 28 THR N N 28 124.723 117.885 6.838 1
1 338 . 19 1 1 A 29 29 LEU H H 29 9.499 9.293 0.206 1
1 339 . 19 1 1 A 29 29 LEU HA H 29 4.373 4.392 -0.019 1
1 349 . 19 1 1 A 29 29 LEU CA C 29 55.960 55.539 0.421 1
1 350 . 19 1 1 A 29 29 LEU CB C 29 44.601 43.302 1.299 1
1 354 . 19 1 1 A 29 29 LEU N N 29 125.894 126.619 -0.725 1
1 355 . 19 1 1 A 30 30 PHE H H 30 7.572 7.669 -0.097 1
1 356 . 19 1 1 A 30 30 PHE HA H 30 5.360 5.419 -0.059 1
1 364 . 19 1 1 A 30 30 PHE CA C 30 55.655 55.992 -0.337 1
1 365 . 19 1 1 A 30 30 PHE CB C 30 45.053 43.188 1.865 1
1 366 . 19 1 1 A 30 30 PHE N N 30 111.166 114.941 -3.775 1
1 367 . 19 1 1 A 31 31 ILE H H 31 7.850 8.335 -0.485 1
1 368 . 19 1 1 A 31 31 ILE HA H 31 4.808 4.902 -0.094 1
1 378 . 19 1 1 A 31 31 ILE CA C 31 60.159 59.036 1.123 1
1 379 . 19 1 1 A 31 31 ILE CB C 31 39.584 41.588 -2.004 1
1 383 . 19 1 1 A 31 31 ILE N N 31 119.419 119.583 -0.164 1
1 384 . 19 1 1 A 32 32 ILE H H 32 9.095 9.040 0.055 1
1 385 . 19 1 1 A 32 32 ILE HA H 32 4.830 5.245 -0.415 1
1 395 . 19 1 1 A 32 32 ILE CA C 32 59.205 59.695 -0.490 1
1 396 . 19 1 1 A 32 32 ILE CB C 32 42.206 41.662 0.544 1
1 400 . 19 1 1 A 32 32 ILE N N 32 127.930 126.321 1.609 1
1 401 . 19 1 1 A 33 33 GLU H H 33 9.089 8.948 0.141 1
1 402 . 19 1 1 A 33 33 GLU HA H 33 4.674 5.007 -0.333 1
1 407 . 19 1 1 A 33 33 GLU CA C 33 55.047 54.696 0.351 1
1 408 . 19 1 1 A 33 33 GLU CB C 33 31.851 31.825 0.026 1
1 410 . 19 1 1 A 33 33 GLU N N 33 128.159 124.879 3.280 1
1 411 . 19 1 1 A 34 34 GLN H H 34 8.705 8.814 -0.109 1
1 412 . 19 1 1 A 34 34 GLN HA H 34 4.362 4.200 0.162 1
1 419 . 19 1 1 A 34 34 GLN CA C 34 56.933 58.310 -1.377 1
1 420 . 19 1 1 A 34 34 GLN CB C 34 30.273 29.536 0.737 1
1 422 . 19 1 1 A 34 34 GLN N N 34 128.144 125.407 2.737 1
1 424 . 19 1 1 A 35 35 ASP H H 35 8.488 7.791 0.697 1
1 425 . 19 1 1 A 35 35 ASP HA H 35 4.608 4.770 -0.162 1
1 428 . 19 1 1 A 35 35 ASP CA C 35 54.124 53.350 0.774 1
1 429 . 19 1 1 A 35 35 ASP CB C 35 41.702 42.203 -0.501 1
1 430 . 19 1 1 A 35 35 ASP N N 35 122.441 115.475 6.966 1
1 431 . 19 1 1 A 36 36 GLN H H 36 8.604 8.445 0.159 1
1 432 . 19 1 1 A 36 36 GLN HA H 36 4.021 4.708 -0.687 1
1 439 . 19 1 1 A 36 36 GLN CA C 36 57.273 54.514 2.759 1
1 440 . 19 1 1 A 36 36 GLN CB C 36 29.266 28.638 0.628 1
1 442 . 19 1 1 A 36 36 GLN N N 36 123.042 118.749 4.293 1
1 444 . 19 1 1 A 37 37 ALA H H 37 8.313 8.062 0.251 1
1 445 . 19 1 1 A 37 37 ALA HA H 37 4.212 4.064 0.148 1
1 449 . 19 1 1 A 37 37 ALA CA C 37 53.708 55.274 -1.566 1
1 450 . 19 1 1 A 37 37 ALA CB C 37 18.949 18.056 0.893 1
1 451 . 19 1 1 A 37 37 ALA N N 37 122.748 124.478 -1.730 1
1 452 . 19 1 1 A 38 38 SER H H 38 7.949 8.110 -0.161 1
1 453 . 19 1 1 A 38 38 SER HA H 38 4.285 4.228 0.057 1
1 456 . 19 1 1 A 38 38 SER CA C 38 59.468 61.485 -2.017 1
1 457 . 19 1 1 A 38 38 SER CB C 38 63.874 62.860 1.014 1
1 458 . 19 1 1 A 38 38 SER N N 38 113.828 113.429 0.399 1
1 459 . 19 1 1 A 39 39 LYS H H 39 8.107 7.919 0.188 1
1 460 . 19 1 1 A 39 39 LYS HA H 39 4.124 4.154 -0.030 1
1 469 . 19 1 1 A 39 39 LYS CA C 39 57.821 58.303 -0.482 1
1 470 . 19 1 1 A 39 39 LYS CB C 39 32.978 32.251 0.727 1
1 474 . 19 1 1 A 39 39 LYS N N 39 122.900 120.826 2.074 1
1 475 . 19 1 1 A 40 40 ASP H H 40 8.173 7.915 0.258 1
1 476 . 19 1 1 A 40 40 ASP HA H 40 4.477 4.861 -0.384 1
1 479 . 19 1 1 A 40 40 ASP CA C 40 55.164 55.924 -0.760 1
1 480 . 19 1 1 A 40 40 ASP CB C 40 41.359 41.949 -0.590 1
1 481 . 19 1 1 A 40 40 ASP N N 40 119.696 119.914 -0.218 1
1 482 . 19 1 1 A 41 41 PHE H H 41 8.022 8.387 -0.365 1
1 483 . 19 1 1 A 41 41 PHE HA H 41 4.376 4.165 0.211 1
1 488 . 19 1 1 A 41 41 PHE CA C 41 59.354 59.947 -0.593 1
1 489 . 19 1 1 A 41 41 PHE CB C 41 39.414 39.947 -0.533 1
1 490 . 19 1 1 A 41 41 PHE N N 41 121.310 120.250 1.060 1
1 491 . 19 1 1 A 42 42 ASN H H 42 8.247 8.597 -0.350 1
1 492 . 19 1 1 A 42 42 ASN HA H 42 4.483 4.479 0.004 1
1 497 . 19 1 1 A 42 42 ASN CA C 42 54.383 55.918 -1.535 1
1 498 . 19 1 1 A 42 42 ASN CB C 42 38.853 38.142 0.711 1
1 499 . 19 1 1 A 42 42 ASN N N 42 119.282 117.032 2.250 1
1 501 . 19 1 1 A 43 43 ARG H H 43 8.048 8.181 -0.133 1
1 502 . 19 1 1 A 43 43 ARG HA H 43 4.130 3.961 0.169 1
1 509 . 19 1 1 A 43 43 ARG CA C 43 57.429 59.331 -1.902 1
1 510 . 19 1 1 A 43 43 ARG CB C 43 30.503 29.938 0.565 1
1 513 . 19 1 1 A 43 43 ARG N N 43 121.050 119.989 1.061 1
1 514 . 19 1 1 A 44 44 SER H H 44 8.111 8.072 0.039 1
1 515 . 19 1 1 A 44 44 SER HA H 44 4.262 4.113 0.149 1
1 518 . 19 1 1 A 44 44 SER CA C 44 59.660 61.981 -2.321 1
1 519 . 19 1 1 A 44 44 SER CB C 44 63.810 62.919 0.891 1
1 520 . 19 1 1 A 44 44 SER N N 44 115.587 117.365 -1.778 1
1 521 . 19 1 1 A 45 45 LYS H H 45 7.968 7.511 0.457 1
1 522 . 19 1 1 A 45 45 LYS HA H 45 4.132 3.935 0.197 1
1 526 . 19 1 1 A 45 45 LYS CA C 45 57.193 58.737 -1.544 1
1 527 . 19 1 1 A 45 45 LYS CB C 45 32.534 31.846 0.688 1
1 529 . 19 1 1 A 45 45 LYS N N 45 122.205 119.259 2.946 1
1 530 . 19 1 1 A 46 46 ALA H H 46 7.936 7.952 -0.016 1
1 531 . 19 1 1 A 46 46 ALA HA H 46 4.179 4.174 0.005 1
1 535 . 19 1 1 A 46 46 ALA CA C 46 53.196 54.009 -0.813 1
1 536 . 19 1 1 A 46 46 ALA CB C 46 19.279 18.636 0.643 1
1 537 . 19 1 1 A 46 46 ALA N N 46 123.430 121.497 1.933 1
1 538 . 19 1 1 A 47 47 LEU H H 47 7.873 7.264 0.609 1
1 539 . 19 1 1 A 47 47 LEU HA H 47 4.147 4.174 -0.027 1
1 549 . 19 1 1 A 47 47 LEU CA C 47 55.854 56.687 -0.833 1
1 550 . 19 1 1 A 47 47 LEU CB C 47 42.536 42.489 0.047 1
1 554 . 19 1 1 A 47 47 LEU N N 47 119.760 116.903 2.857 1
1 555 . 19 1 1 A 48 48 PHE H H 48 7.960 7.210 0.750 1
1 556 . 19 1 1 A 48 48 PHE HA H 48 4.540 4.857 -0.317 1
1 561 . 19 1 1 A 48 48 PHE CA C 48 58.150 56.571 1.579 1
1 562 . 19 1 1 A 48 48 PHE CB C 48 39.499 42.843 -3.344 1
1 563 . 19 1 1 A 48 48 PHE N N 48 119.481 116.162 3.319 1
1 564 . 19 1 1 A 49 49 SER H H 49 8.011 9.026 -1.015 1
1 565 . 19 1 1 A 49 49 SER HA H 49 4.333 4.245 0.088 1
1 566 . 19 1 1 A 49 49 SER CA C 49 58.675 61.340 -2.665 1
1 567 . 19 1 1 A 49 49 SER N N 49 116.263 116.111 0.152 1
1 568 . 19 1 1 A 50 50 GLN H H 50 8.252 8.829 -0.577 1
1 569 . 19 1 1 A 50 50 GLN HA H 50 4.250 4.200 0.050 1
1 576 . 19 1 1 A 50 50 GLN CA C 50 56.570 57.892 -1.322 1
1 577 . 19 1 1 A 50 50 GLN CB C 50 29.372 27.404 1.968 1
1 579 . 19 1 1 A 50 50 GLN N N 50 121.890 121.591 0.299 1
1 581 . 19 1 1 A 51 51 SER H H 51 8.143 7.992 0.151 1
1 582 . 19 1 1 A 51 51 SER HA H 51 4.332 4.118 0.214 1
1 583 . 19 1 1 A 51 51 SER CA C 51 58.848 61.343 -2.495 1
1 584 . 19 1 1 A 51 51 SER N N 51 115.677 116.831 -1.154 1
1 585 . 19 1 1 A 52 52 ALA H H 52 8.168 7.718 0.450 1
1 586 . 19 1 1 A 52 52 ALA HA H 52 4.261 4.342 -0.081 1
1 590 . 19 1 1 A 52 52 ALA CA C 52 53.119 53.571 -0.452 1
1 591 . 19 1 1 A 52 52 ALA CB C 52 19.175 19.405 -0.230 1
1 592 . 19 1 1 A 52 52 ALA N N 52 125.354 121.949 3.405 1
1 593 . 19 1 1 A 53 53 ILE H H 53 7.858 8.132 -0.274 1
1 594 . 19 1 1 A 53 53 ILE HA H 53 4.094 3.831 0.263 1
1 604 . 19 1 1 A 53 53 ILE CA C 53 61.666 64.141 -2.475 1
1 605 . 19 1 1 A 53 53 ILE CB C 53 39.015 36.525 2.490 1
1 609 . 19 1 1 A 53 53 ILE N N 53 118.218 114.917 3.301 1
1 610 . 19 1 1 A 54 54 SER H H 54 8.152 7.868 0.284 1
1 611 . 19 1 1 A 54 54 SER HA H 54 4.348 4.706 -0.358 1
1 614 . 19 1 1 A 54 54 SER CA C 54 58.678 57.783 0.895 1
1 615 . 19 1 1 A 54 54 SER CB C 54 64.002 66.875 -2.873 1
1 616 . 19 1 1 A 54 54 SER N N 54 118.590 114.665 3.925 1
1 617 . 19 1 1 A 55 55 GLN H H 55 8.298 8.549 -0.251 1
1 618 . 19 1 1 A 55 55 GLN HA H 55 4.198 2.842 1.356 1
1 625 . 19 1 1 A 55 55 GLN CA C 55 56.690 57.450 -0.760 1
1 626 . 19 1 1 A 55 55 GLN CB C 55 29.393 28.058 1.335 1
1 628 . 19 1 1 A 55 55 GLN N N 55 122.154 123.977 -1.823 1
1 630 . 19 1 1 A 56 56 LYS H H 56 8.153 7.790 0.363 1
1 631 . 19 1 1 A 56 56 LYS HA H 56 4.161 4.446 -0.285 1
1 636 . 19 1 1 A 56 56 LYS CA C 56 57.174 56.466 0.708 1
1 637 . 19 1 1 A 56 56 LYS CB C 56 32.991 33.067 -0.076 1
1 639 . 19 1 1 A 56 56 LYS N N 56 121.127 117.694 3.433 1
1 640 . 19 1 1 A 57 57 GLU H H 57 8.201 8.161 0.040 1
1 641 . 19 1 1 A 57 57 GLU HA H 57 4.151 4.533 -0.382 1
1 646 . 19 1 1 A 57 57 GLU CA C 57 57.273 57.246 0.027 1
1 647 . 19 1 1 A 57 57 GLU CB C 57 30.262 31.275 -1.013 1
1 649 . 19 1 1 A 57 57 GLU N N 57 120.626 116.685 3.941 1
1 650 . 19 1 1 A 58 58 TYR H H 58 8.057 8.629 -0.572 1
1 651 . 19 1 1 A 58 58 TYR HA H 58 4.375 4.449 -0.074 1
1 658 . 19 1 1 A 58 58 TYR CA C 58 58.721 59.803 -1.082 1
1 659 . 19 1 1 A 58 58 TYR CB C 58 39.096 37.132 1.964 1
1 660 . 19 1 1 A 58 58 TYR N N 58 120.841 118.587 2.254 1
1 661 . 19 1 1 A 59 59 ASP H H 59 8.144 8.719 -0.575 1
1 662 . 19 1 1 A 59 59 ASP HA H 59 4.493 4.168 0.325 1
1 665 . 19 1 1 A 59 59 ASP CA C 59 54.505 56.742 -2.237 1
1 666 . 19 1 1 A 59 59 ASP CB C 59 41.233 39.395 1.838 1
1 667 . 19 1 1 A 59 59 ASP N N 59 122.549 121.725 0.824 1
1 668 . 19 1 1 A 60 60 SER H H 60 8.245 8.188 0.057 1
1 669 . 19 1 1 A 60 60 SER HA H 60 4.255 4.153 0.102 1
1 670 . 19 1 1 A 60 60 SER CA C 60 59.650 61.217 -1.567 1
1 671 . 19 1 1 A 60 60 SER N N 60 117.646 115.575 2.071 1
1 672 . 19 1 1 A 61 61 SER H H 61 8.329 8.046 0.283 1
1 673 . 19 1 1 A 61 61 SER HA H 61 4.307 4.531 -0.224 1
1 676 . 19 1 1 A 61 61 SER CA C 61 59.882 59.718 0.164 1
1 677 . 19 1 1 A 61 61 SER CB C 61 63.888 64.350 -0.462 1
1 678 . 19 1 1 A 61 61 SER N N 61 118.138 115.655 2.483 1
1 679 . 19 1 1 A 62 62 LEU H H 62 7.753 7.433 0.320 1
1 680 . 19 1 1 A 62 62 LEU HA H 62 4.227 4.127 0.100 1
1 690 . 19 1 1 A 62 62 LEU CA C 62 55.640 56.815 -1.175 1
1 691 . 19 1 1 A 62 62 LEU CB C 62 42.389 42.339 0.050 1
1 695 . 19 1 1 A 62 62 LEU N N 62 122.616 119.539 3.077 1
1 696 . 19 1 1 A 63 63 ALA H H 63 7.908 7.670 0.238 1
1 697 . 19 1 1 A 63 63 ALA HA H 63 4.266 4.654 -0.388 1
1 701 . 19 1 1 A 63 63 ALA CA C 63 53.071 51.088 1.983 1
1 702 . 19 1 1 A 63 63 ALA CB C 63 19.373 22.376 -3.003 1
1 703 . 19 1 1 A 63 63 ALA N N 63 123.326 118.558 4.768 1
1 704 . 19 1 1 A 64 64 THR H H 64 7.855 8.409 -0.554 1
1 705 . 19 1 1 A 64 64 THR HA H 64 4.212 4.165 0.047 1
1 710 . 19 1 1 A 64 64 THR CA C 64 61.955 63.285 -1.330 1
1 711 . 19 1 1 A 64 64 THR CB C 64 69.997 68.775 1.222 1
1 713 . 19 1 1 A 64 64 THR N N 64 112.019 116.625 -4.606 1
1 714 . 19 1 1 A 65 65 LEU H H 65 7.970 9.280 -1.310 1
1 715 . 19 1 1 A 65 65 LEU HA H 65 4.290 3.879 0.411 1
1 725 . 19 1 1 A 65 65 LEU CA C 65 55.509 56.106 -0.597 1
1 726 . 19 1 1 A 65 65 LEU CB C 65 42.619 40.132 2.487 1
1 730 . 19 1 1 A 65 65 LEU N N 65 123.564 127.596 -4.032 1
1 731 . 19 1 1 A 66 66 ASP H H 66 8.271 8.107 0.164 1
1 732 . 19 1 1 A 66 66 ASP HA H 66 4.538 4.248 0.290 1
1 735 . 19 1 1 A 66 66 ASP CA C 66 54.906 55.285 -0.379 1
1 736 . 19 1 1 A 66 66 ASP CB C 66 41.384 39.645 1.739 1
1 737 . 19 1 1 A 66 66 ASP N N 66 120.385 115.416 4.969 1
1 738 . 19 1 1 A 67 67 HIS H H 67 8.020 8.253 -0.233 1
1 739 . 19 1 1 A 67 67 HIS HA H 67 5.236 5.060 0.176 1
1 744 . 19 1 1 A 67 67 HIS CA C 67 55.411 56.795 -1.384 1
1 745 . 19 1 1 A 67 67 HIS CB C 67 32.135 31.053 1.082 1
1 746 . 19 1 1 A 67 67 HIS N N 67 119.214 118.503 0.711 1
1 747 . 19 1 1 A 68 68 THR H H 68 8.903 8.934 -0.031 1
1 748 . 19 1 1 A 68 68 THR HA H 68 4.474 4.803 -0.329 1
1 753 . 19 1 1 A 68 68 THR CA C 68 62.536 61.227 1.309 1
1 754 . 19 1 1 A 68 68 THR CB C 68 71.267 72.255 -0.988 1
1 756 . 19 1 1 A 68 68 THR N N 68 117.138 114.479 2.659 1
1 757 . 19 1 1 A 69 69 GLU H H 69 8.630 8.800 -0.170 1
1 758 . 19 1 1 A 69 69 GLU HA H 69 4.480 5.079 -0.599 1
1 763 . 19 1 1 A 69 69 GLU CA C 69 56.016 55.478 0.538 1
1 764 . 19 1 1 A 69 69 GLU CB C 69 31.824 32.039 -0.215 1
1 766 . 19 1 1 A 69 69 GLU N N 69 124.226 124.674 -0.448 1
1 767 . 19 1 1 A 70 70 ILE H H 70 8.589 8.793 -0.204 1
1 768 . 19 1 1 A 70 70 ILE HA H 70 4.405 4.973 -0.568 1
1 778 . 19 1 1 A 70 70 ILE CA C 70 59.367 59.833 -0.466 1
1 779 . 19 1 1 A 70 70 ILE CB C 70 37.492 40.884 -3.392 1
1 783 . 19 1 1 A 70 70 ILE N N 70 123.526 121.615 1.911 1
1 784 . 19 1 1 A 71 71 LYS H H 71 8.910 8.953 -0.043 1
1 785 . 19 1 1 A 71 71 LYS HA H 71 5.070 4.917 0.153 1
1 790 . 19 1 1 A 71 71 LYS CA C 71 54.732 54.404 0.328 1
1 791 . 19 1 1 A 71 71 LYS CB C 71 36.388 36.116 0.272 1
1 793 . 19 1 1 A 71 71 LYS N N 71 128.313 124.463 3.850 1
1 794 . 19 1 1 A 72 72 ALA H H 72 8.623 9.048 -0.425 1
1 795 . 19 1 1 A 72 72 ALA HA H 72 4.060 4.360 -0.300 1
1 799 . 19 1 1 A 72 72 ALA CA C 72 50.119 50.808 -0.689 1
1 800 . 19 1 1 A 72 72 ALA CB C 72 17.261 18.435 -1.174 1
1 801 . 19 1 1 A 72 72 ALA N N 72 123.091 122.370 0.721 1
1 802 . 19 1 1 A 73 73 PRO HA H 73 4.328 4.357 -0.029 1
1 809 . 19 1 1 A 73 73 PRO CA C 73 63.731 64.332 -0.601 1
1 810 . 19 1 1 A 73 73 PRO CB C 73 32.196 31.884 0.312 1
1 813 . 19 1 1 A 74 74 PHE H H 74 6.758 6.886 -0.128 1
1 814 . 19 1 1 A 74 74 PHE HA H 74 4.414 4.888 -0.474 1
1 821 . 19 1 1 A 74 74 PHE CA C 74 54.539 56.050 -1.511 1
1 822 . 19 1 1 A 74 74 PHE CB C 74 40.862 40.483 0.379 1
1 823 . 19 1 1 A 74 74 PHE N N 74 112.045 112.349 -0.304 1
1 824 . 19 1 1 A 75 75 ASP H H 75 8.563 8.996 -0.433 1
1 825 . 19 1 1 A 75 75 ASP HA H 75 4.915 5.460 -0.545 1
1 828 . 19 1 1 A 75 75 ASP CA C 75 54.108 53.939 0.169 1
1 829 . 19 1 1 A 75 75 ASP CB C 75 41.011 42.087 -1.076 1
1 830 . 19 1 1 A 75 75 ASP N N 75 118.284 120.508 -2.224 1
1 831 . 19 1 1 A 76 76 GLY H H 76 8.340 8.277 0.063 1
1 832 . 19 1 1 A 76 76 GLY HA2 H 76 4.228 4.336 -0.108 1
1 833 . 19 1 1 A 76 76 GLY HA3 H 76 4.070 4.442 -0.372 1
1 834 . 19 1 1 A 76 76 GLY CA C 76 46.761 46.448 0.313 1
1 835 . 19 1 1 A 76 76 GLY N N 76 108.739 111.595 -2.856 1
1 836 . 19 1 1 A 77 77 THR H H 77 8.607 9.018 -0.411 1
1 837 . 19 1 1 A 77 77 THR HA H 77 4.966 5.212 -0.246 1
1 842 . 19 1 1 A 77 77 THR CA C 77 61.891 61.253 0.638 1
1 843 . 19 1 1 A 77 77 THR CB C 77 70.413 71.579 -1.166 1
1 845 . 19 1 1 A 77 77 THR N N 77 116.423 116.010 0.413 1
1 846 . 19 1 1 A 78 78 ILE H H 78 8.815 8.576 0.239 1
1 847 . 19 1 1 A 78 78 ILE HA H 78 4.656 4.924 -0.268 1
1 857 . 19 1 1 A 78 78 ILE CA C 78 60.214 59.631 0.583 1
1 858 . 19 1 1 A 78 78 ILE CB C 78 43.110 41.928 1.182 1
1 862 . 19 1 1 A 78 78 ILE N N 78 129.313 122.759 6.554 1
1 863 . 19 1 1 A 79 79 GLY H H 79 8.052 8.885 -0.833 1
1 864 . 19 1 1 A 79 79 GLY HA2 H 79 4.394 4.136 0.258 1
1 865 . 19 1 1 A 79 79 GLY HA3 H 79 3.765 4.139 -0.374 1
1 866 . 19 1 1 A 79 79 GLY CA C 79 44.297 44.442 -0.145 1
1 867 . 19 1 1 A 79 79 GLY N N 79 114.522 116.395 -1.873 1
1 868 . 19 1 1 A 80 80 ASP H H 80 7.792 8.586 -0.794 1
1 869 . 19 1 1 A 80 80 ASP HA H 80 4.706 4.685 0.021 1
1 872 . 19 1 1 A 80 80 ASP CA C 80 53.784 54.686 -0.902 1
1 873 . 19 1 1 A 80 80 ASP CB C 80 42.062 41.330 0.732 1
1 874 . 19 1 1 A 80 80 ASP N N 80 113.706 118.947 -5.241 1
1 875 . 19 1 1 A 81 81 ALA H H 81 8.552 8.980 -0.428 1
1 876 . 19 1 1 A 81 81 ALA HA H 81 4.567 4.736 -0.169 1
1 880 . 19 1 1 A 81 81 ALA CA C 81 53.345 52.565 0.780 1
1 881 . 19 1 1 A 81 81 ALA CB C 81 20.325 19.288 1.037 1
1 882 . 19 1 1 A 81 81 ALA N N 81 124.168 125.512 -1.344 1
1 883 . 19 1 1 A 82 82 LEU H H 82 8.734 7.986 0.748 1
1 884 . 19 1 1 A 82 82 LEU HA H 82 4.338 3.971 0.367 1
1 893 . 19 1 1 A 82 82 LEU CA C 82 55.320 56.542 -1.222 1
1 894 . 19 1 1 A 82 82 LEU CB C 82 41.616 40.674 0.942 1
1 897 . 19 1 1 A 82 82 LEU N N 82 121.830 115.470 6.360 1
1 898 . 19 1 1 A 83 83 VAL H H 83 7.136 8.016 -0.880 1
1 899 . 19 1 1 A 83 83 VAL HA H 83 4.489 5.037 -0.548 1
1 907 . 19 1 1 A 83 83 VAL CA C 83 58.552 58.493 0.059 1
1 908 . 19 1 1 A 83 83 VAL CB C 83 35.418 36.381 -0.963 1
1 911 . 19 1 1 A 83 83 VAL N N 83 108.193 113.328 -5.135 1
1 912 . 19 1 1 A 84 84 ASN H H 84 9.073 8.928 0.145 1
1 913 . 19 1 1 A 84 84 ASN HA H 84 4.872 5.302 -0.430 1
1 918 . 19 1 1 A 84 84 ASN CA C 84 51.417 51.369 0.048 1
1 919 . 19 1 1 A 84 84 ASN CB C 84 42.127 42.888 -0.761 1
1 920 . 19 1 1 A 84 84 ASN N N 84 119.533 119.113 0.420 1
1 922 . 19 1 1 A 85 85 ILE H H 85 8.390 8.513 -0.123 1
1 923 . 19 1 1 A 85 85 ILE HA H 85 3.384 3.730 -0.346 1
1 933 . 19 1 1 A 85 85 ILE CA C 85 63.985 63.914 0.071 1
1 934 . 19 1 1 A 85 85 ILE CB C 85 37.368 37.223 0.145 1
1 938 . 19 1 1 A 85 85 ILE N N 85 119.414 122.398 -2.984 1
1 939 . 19 1 1 A 86 86 GLY H H 86 9.229 8.866 0.363 1
1 940 . 19 1 1 A 86 86 GLY HA2 H 86 4.392 4.050 0.342 1
1 941 . 19 1 1 A 86 86 GLY HA3 H 86 3.412 4.053 -0.641 1
1 942 . 19 1 1 A 86 86 GLY CA C 86 44.946 45.038 -0.092 1
1 943 . 19 1 1 A 86 86 GLY N N 86 117.337 115.488 1.849 1
1 944 . 19 1 1 A 87 87 ASP H H 87 7.956 8.420 -0.464 1
1 945 . 19 1 1 A 87 87 ASP HA H 87 4.599 4.684 -0.085 1
1 948 . 19 1 1 A 87 87 ASP CA C 87 55.055 54.885 0.170 1
1 949 . 19 1 1 A 87 87 ASP CB C 87 40.978 41.441 -0.463 1
1 950 . 19 1 1 A 87 87 ASP N N 87 121.511 122.038 -0.527 1
1 951 . 19 1 1 A 88 88 TYR H H 88 8.545 8.841 -0.296 1
1 952 . 19 1 1 A 88 88 TYR HA H 88 4.718 4.723 -0.005 1
1 959 . 19 1 1 A 88 88 TYR CA C 88 57.954 57.320 0.634 1
1 960 . 19 1 1 A 88 88 TYR CB C 88 39.411 38.466 0.945 1
1 961 . 19 1 1 A 88 88 TYR N N 88 122.327 125.705 -3.378 1
1 962 . 19 1 1 A 89 89 VAL H H 89 8.937 8.319 0.618 1
1 963 . 19 1 1 A 89 89 VAL HA H 89 4.565 4.839 -0.274 1
1 971 . 19 1 1 A 89 89 VAL CA C 89 58.580 59.500 -0.920 1
1 972 . 19 1 1 A 89 89 VAL CB C 89 34.504 34.032 0.472 1
1 975 . 19 1 1 A 89 89 VAL N N 89 121.838 122.731 -0.893 1
1 976 . 19 1 1 A 90 90 SER H H 90 8.761 8.548 0.213 1
1 977 . 19 1 1 A 90 90 SER HA H 90 4.562 5.120 -0.558 1
1 980 . 19 1 1 A 90 90 SER CA C 90 56.974 55.926 1.048 1
1 981 . 19 1 1 A 90 90 SER CB C 90 65.027 65.677 -0.650 1
1 982 . 19 1 1 A 90 90 SER N N 90 114.806 118.133 -3.327 1
1 983 . 19 1 1 A 91 91 ALA H H 91 8.692 8.919 -0.227 1
1 984 . 19 1 1 A 91 91 ALA HA H 91 3.505 3.971 -0.466 1
1 988 . 19 1 1 A 91 91 ALA CA C 91 53.471 55.814 -2.343 1
1 989 . 19 1 1 A 91 91 ALA CB C 91 18.719 18.859 -0.140 1
1 990 . 19 1 1 A 91 91 ALA N N 91 129.873 130.654 -0.781 1
1 991 . 19 1 1 A 92 92 SER H H 92 9.156 7.959 1.197 1
1 992 . 19 1 1 A 92 92 SER HA H 92 3.804 4.461 -0.657 1
1 995 . 19 1 1 A 92 92 SER CA C 92 60.827 58.801 2.026 1
1 996 . 19 1 1 A 92 92 SER CB C 92 62.630 63.813 -1.183 1
1 997 . 19 1 1 A 92 92 SER N N 92 113.297 114.276 -0.979 1
1 998 . 19 1 1 A 93 93 THR H H 93 7.806 7.784 0.022 1
1 999 . 19 1 1 A 93 93 THR HA H 93 4.387 4.417 -0.030 1
1 1004 . 19 1 1 A 93 93 THR CA C 93 64.607 63.225 1.382 1
1 1005 . 19 1 1 A 93 93 THR CB C 93 71.127 69.771 1.356 1
1 1007 . 19 1 1 A 93 93 THR N N 93 113.896 111.841 2.055 1
1 1008 . 19 1 1 A 94 94 THR H H 94 7.691 7.306 0.385 1
1 1009 . 19 1 1 A 94 94 THR HA H 94 3.899 4.916 -1.017 1
1 1014 . 19 1 1 A 94 94 THR CA C 94 65.258 61.522 3.736 1
1 1015 . 19 1 1 A 94 94 THR CB C 94 70.283 71.377 -1.094 1
1 1017 . 19 1 1 A 94 94 THR N N 94 119.603 115.257 4.346 1
1 1018 . 19 1 1 A 95 95 GLU H H 95 8.389 9.008 -0.619 1
1 1019 . 19 1 1 A 95 95 GLU HA H 95 3.793 4.647 -0.854 1
1 1024 . 19 1 1 A 95 95 GLU CA C 95 56.783 55.446 1.337 1
1 1025 . 19 1 1 A 95 95 GLU CB C 95 29.777 31.226 -1.449 1
1 1027 . 19 1 1 A 95 95 GLU N N 95 124.816 126.900 -2.084 1
1 1028 . 19 1 1 A 96 96 LEU H H 96 8.735 8.926 -0.191 1
1 1029 . 19 1 1 A 96 96 LEU HA H 96 4.249 4.247 0.002 1
1 1039 . 19 1 1 A 96 96 LEU CA C 96 57.071 55.908 1.163 1
1 1040 . 19 1 1 A 96 96 LEU CB C 96 43.517 41.964 1.553 1
1 1044 . 19 1 1 A 96 96 LEU N N 96 120.104 126.882 -6.778 1
1 1045 . 19 1 1 A 97 97 VAL H H 97 7.049 7.313 -0.264 1
1 1046 . 19 1 1 A 97 97 VAL HA H 97 4.334 4.408 -0.074 1
1 1054 . 19 1 1 A 97 97 VAL CA C 97 61.411 60.854 0.557 1
1 1055 . 19 1 1 A 97 97 VAL CB C 97 31.724 34.264 -2.540 1
1 1058 . 19 1 1 A 97 97 VAL N N 97 112.399 114.412 -2.013 1
1 1059 . 19 1 1 A 98 98 ARG H H 98 8.968 8.539 0.429 1
1 1060 . 19 1 1 A 98 98 ARG HA H 98 5.255 5.307 -0.052 1
1 1067 . 19 1 1 A 98 98 ARG CA C 98 55.391 54.575 0.816 1
1 1068 . 19 1 1 A 98 98 ARG CB C 98 32.925 33.419 -0.494 1
1 1071 . 19 1 1 A 98 98 ARG N N 98 127.489 122.154 5.335 1
1 1072 . 19 1 1 A 99 99 VAL H H 99 8.884 8.714 0.170 1
1 1073 . 19 1 1 A 99 99 VAL HA H 99 4.554 4.810 -0.256 1
1 1078 . 19 1 1 A 99 99 VAL CA C 99 60.996 61.172 -0.176 1
1 1079 . 19 1 1 A 99 99 VAL CB C 99 34.358 33.834 0.524 1
1 1081 . 19 1 1 A 99 99 VAL N N 99 122.863 122.972 -0.109 1
1 1082 . 19 1 1 A 100 100 THR H H 100 8.823 9.081 -0.258 1
1 1083 . 19 1 1 A 100 100 THR HA H 100 4.552 4.984 -0.432 1
1 1088 . 19 1 1 A 100 100 THR CA C 100 61.105 61.073 0.032 1
1 1089 . 19 1 1 A 100 100 THR CB C 100 70.859 71.396 -0.537 1
1 1091 . 19 1 1 A 100 100 THR N N 100 121.813 120.649 1.164 1
1 1092 . 19 1 1 A 101 101 ASN H H 101 8.146 9.064 -0.918 1
1 1093 . 19 1 1 A 101 101 ASN HA H 101 4.505 4.434 0.071 1
1 1098 . 19 1 1 A 101 101 ASN CA C 101 54.283 55.262 -0.979 1
1 1099 . 19 1 1 A 101 101 ASN CB C 101 38.631 39.164 -0.533 1
1 1100 . 19 1 1 A 101 101 ASN N N 101 122.582 126.991 -4.409 1
1 1102 . 19 1 1 A 102 102 LEU H H 102 8.154 8.047 0.107 1
1 1103 . 19 1 1 A 102 102 LEU HA H 102 4.236 4.031 0.205 1
1 1113 . 19 1 1 A 102 102 LEU CA C 102 55.618 57.284 -1.666 1
1 1114 . 19 1 1 A 102 102 LEU CB C 102 42.842 40.813 2.029 1
1 1118 . 19 1 1 A 102 102 LEU N N 102 122.572 118.738 3.834 1
1 1119 . 19 1 1 A 103 103 ASN H H 103 8.393 8.261 0.132 1
1 1120 . 19 1 1 A 103 103 ASN HA H 103 4.862 5.153 -0.291 1
1 1125 . 19 1 1 A 103 103 ASN CA C 103 51.431 49.863 1.568 1
1 1126 . 19 1 1 A 103 103 ASN CB C 103 39.172 40.070 -0.898 1
1 1127 . 19 1 1 A 103 103 ASN N N 103 120.155 116.009 4.146 1
1 1129 . 19 1 1 A 104 104 PRO HA H 104 4.224 4.434 -0.210 1
1 1136 . 19 1 1 A 104 104 PRO CA C 104 63.636 63.915 -0.279 1
1 1137 . 19 1 1 A 104 104 PRO CB C 104 32.301 32.152 0.149 1
1 1140 . 19 1 1 A 105 105 ILE H H 105 7.870 8.000 -0.130 1
1 1141 . 19 1 1 A 105 105 ILE HA H 105 3.934 3.747 0.187 1
1 1151 . 19 1 1 A 105 105 ILE CA C 105 61.566 62.740 -1.174 1
1 1152 . 19 1 1 A 105 105 ILE CB C 105 38.723 37.248 1.475 1
1 1156 . 19 1 1 A 105 105 ILE N N 105 119.425 117.558 1.867 1
1 1157 . 19 1 1 A 106 106 TYR H H 106 7.945 7.053 0.892 1
1 1158 . 19 1 1 A 106 106 TYR HA H 106 4.529 4.443 0.086 1
1 1165 . 19 1 1 A 106 106 TYR CA C 106 57.548 58.673 -1.125 1
1 1166 . 19 1 1 A 106 106 TYR CB C 106 39.048 38.985 0.063 1
1 1167 . 19 1 1 A 106 106 TYR N N 106 123.138 120.431 2.707 1
1 1168 . 19 1 1 A 107 107 ALA H H 107 8.113 7.758 0.355 1
1 1169 . 19 1 1 A 107 107 ALA HA H 107 4.213 4.573 -0.360 1
1 1173 . 19 1 1 A 107 107 ALA CA C 107 52.847 50.838 2.009 1
1 1174 . 19 1 1 A 107 107 ALA CB C 107 19.450 20.711 -1.261 1
1 1175 . 19 1 1 A 107 107 ALA N N 107 125.476 120.054 5.422 1
1 1176 . 19 1 1 A 108 108 ASP H H 108 8.140 7.627 0.513 1
1 1177 . 19 1 1 A 108 108 ASP HA H 108 4.502 4.993 -0.491 1
1 1180 . 19 1 1 A 108 108 ASP CA C 108 54.515 53.328 1.187 1
1 1181 . 19 1 1 A 108 108 ASP CB C 108 41.436 44.208 -2.772 1
1 1182 . 19 1 1 A 108 108 ASP N N 108 119.275 117.807 1.468 1
1 1183 . 19 1 1 A 109 109 GLY H H 109 8.304 8.391 -0.087 1
1 1184 . 19 1 1 A 109 109 GLY HA2 H 109 3.930 3.845 0.085 1
1 1185 . 19 1 1 A 109 109 GLY HA3 H 109 3.844 3.996 -0.152 1
1 1186 . 19 1 1 A 109 109 GLY CA C 109 45.809 45.386 0.423 1
1 1187 . 19 1 1 A 109 109 GLY N N 109 109.463 110.445 -0.982 1
1 1188 . 19 1 1 A 110 110 SER H H 110 8.169 7.762 0.407 1
1 1189 . 19 1 1 A 110 110 SER HA H 110 4.263 4.134 0.129 1
1 1190 . 19 1 1 A 110 110 SER CA C 110 59.017 61.969 -2.952 1
1 1191 . 19 1 1 A 110 110 SER N N 110 115.630 116.748 -1.118 1
1 1192 . 19 1 1 A 111 111 HIS HA H 111 4.522 4.327 0.195 1
1 1195 . 19 1 1 A 111 111 HIS CA C 111 56.269 55.893 0.376 1
1 1196 . 19 1 1 A 111 111 HIS CB C 111 30.558 31.466 -0.908 1
1 1197 . 19 1 1 A 112 112 HIS HA H 112 4.341 3.955 0.386 1
1 1200 . 19 1 1 A 112 112 HIS CA C 112 57.660 58.501 -0.841 1
1 2 . 20 1 1 A 2 2 VAL H H 2 8.608 8.457 0.151 1
1 3 . 20 1 1 A 2 2 VAL HA H 2 4.472 4.831 -0.359 1
1 11 . 20 1 1 A 2 2 VAL CA C 2 61.161 59.720 1.441 1
1 12 . 20 1 1 A 2 2 VAL CB C 2 35.825 35.740 0.085 1
1 15 . 20 1 1 A 2 2 VAL N N 2 117.995 121.369 -3.374 1
1 16 . 20 1 1 A 3 3 ILE H H 3 8.424 8.869 -0.445 1
1 17 . 20 1 1 A 3 3 ILE HA H 3 4.489 4.691 -0.202 1
1 27 . 20 1 1 A 3 3 ILE CA C 3 60.273 59.781 0.492 1
1 28 . 20 1 1 A 3 3 ILE CB C 3 38.595 40.483 -1.888 1
1 32 . 20 1 1 A 3 3 ILE N N 3 125.647 124.783 0.864 1
1 33 . 20 1 1 A 4 4 ILE H H 4 8.531 8.979 -0.448 1
1 34 . 20 1 1 A 4 4 ILE HA H 4 3.990 4.318 -0.328 1
1 44 . 20 1 1 A 4 4 ILE CA C 4 61.656 61.556 0.100 1
1 45 . 20 1 1 A 4 4 ILE CB C 4 38.183 38.761 -0.578 1
1 49 . 20 1 1 A 4 4 ILE N N 4 127.472 130.022 -2.550 1
1 50 . 20 1 1 A 5 5 LYS H H 5 8.277 8.869 -0.592 1
1 51 . 20 1 1 A 5 5 LYS HA H 5 5.164 4.717 0.447 1
1 60 . 20 1 1 A 5 5 LYS CA C 5 53.440 52.918 0.522 1
1 61 . 20 1 1 A 5 5 LYS CB C 5 33.808 35.386 -1.578 1
1 65 . 20 1 1 A 5 5 LYS N N 5 126.697 126.593 0.104 1
1 66 . 20 1 1 A 6 6 PRO HA H 6 4.370 4.681 -0.311 1
1 73 . 20 1 1 A 6 6 PRO CA C 6 62.493 62.110 0.383 1
1 74 . 20 1 1 A 6 6 PRO CB C 6 32.091 32.687 -0.596 1
1 77 . 20 1 1 A 7 7 GLN H H 7 9.334 8.327 1.007 1
1 78 . 20 1 1 A 7 7 GLN HA H 7 4.348 4.161 0.187 1
1 85 . 20 1 1 A 7 7 GLN CA C 7 56.384 56.636 -0.252 1
1 86 . 20 1 1 A 7 7 GLN CB C 7 28.934 28.545 0.389 1
1 88 . 20 1 1 A 7 7 GLN N N 7 119.944 118.840 1.104 1
1 90 . 20 1 1 A 8 8 VAL H H 8 7.021 7.345 -0.324 1
1 91 . 20 1 1 A 8 8 VAL HA H 8 4.476 4.885 -0.409 1
1 99 . 20 1 1 A 8 8 VAL CA C 8 58.999 58.921 0.078 1
1 100 . 20 1 1 A 8 8 VAL CB C 8 35.347 35.715 -0.368 1
1 103 . 20 1 1 A 8 8 VAL N N 8 111.118 115.093 -3.975 1
1 104 . 20 1 1 A 9 9 SER H H 9 8.155 8.588 -0.433 1
1 105 . 20 1 1 A 9 9 SER HA H 9 4.945 5.003 -0.058 1
1 108 . 20 1 1 A 9 9 SER CA C 9 56.704 56.568 0.136 1
1 109 . 20 1 1 A 9 9 SER CB C 9 64.645 65.591 -0.946 1
1 110 . 20 1 1 A 9 9 SER N N 9 114.983 115.970 -0.987 1
1 111 . 20 1 1 A 10 10 GLY H H 10 7.981 8.283 -0.302 1
1 112 . 20 1 1 A 10 10 GLY HA2 H 10 4.416 4.054 0.362 1
1 113 . 20 1 1 A 10 10 GLY HA3 H 10 3.643 4.105 -0.462 1
1 114 . 20 1 1 A 10 10 GLY CA C 10 45.433 44.805 0.628 1
1 115 . 20 1 1 A 10 10 GLY N N 10 108.602 107.310 1.292 1
1 116 . 20 1 1 A 11 11 VAL H H 11 8.018 7.959 0.059 1
1 117 . 20 1 1 A 11 11 VAL HA H 11 4.740 4.738 0.002 1
1 125 . 20 1 1 A 11 11 VAL CA C 11 60.580 60.645 -0.065 1
1 126 . 20 1 1 A 11 11 VAL CB C 11 35.124 35.767 -0.643 1
1 129 . 20 1 1 A 11 11 VAL N N 11 118.346 120.168 -1.822 1
1 130 . 20 1 1 A 12 12 ILE H H 12 8.452 8.485 -0.033 1
1 131 . 20 1 1 A 12 12 ILE HA H 12 4.042 4.234 -0.192 1
1 141 . 20 1 1 A 12 12 ILE CA C 12 60.400 62.328 -1.928 1
1 142 . 20 1 1 A 12 12 ILE CB C 12 35.725 38.069 -2.344 1
1 146 . 20 1 1 A 12 12 ILE N N 12 125.267 125.724 -0.457 1
1 147 . 20 1 1 A 13 13 VAL H H 13 8.900 9.302 -0.402 1
1 148 . 20 1 1 A 13 13 VAL HA H 13 4.492 4.297 0.195 1
1 156 . 20 1 1 A 13 13 VAL CA C 13 62.168 63.344 -1.176 1
1 157 . 20 1 1 A 13 13 VAL CB C 13 33.406 33.753 -0.347 1
1 160 . 20 1 1 A 13 13 VAL N N 13 124.539 125.880 -1.341 1
1 161 . 20 1 1 A 14 14 ASN H H 14 7.649 7.422 0.227 1
1 162 . 20 1 1 A 14 14 ASN HA H 14 4.805 5.181 -0.376 1
1 167 . 20 1 1 A 14 14 ASN CA C 14 52.950 52.274 0.676 1
1 168 . 20 1 1 A 14 14 ASN CB C 14 42.149 41.921 0.228 1
1 169 . 20 1 1 A 14 14 ASN N N 14 115.008 116.750 -1.742 1
1 171 . 20 1 1 A 15 15 LYS H H 15 8.393 8.585 -0.192 1
1 172 . 20 1 1 A 15 15 LYS HA H 15 4.640 4.796 -0.156 1
1 179 . 20 1 1 A 15 15 LYS CA C 15 55.987 54.841 1.146 1
1 180 . 20 1 1 A 15 15 LYS CB C 15 35.412 33.451 1.961 1
1 183 . 20 1 1 A 15 15 LYS N N 15 123.820 121.787 2.033 1
1 184 . 20 1 1 A 16 16 LEU H H 16 8.015 8.496 -0.481 1
1 185 . 20 1 1 A 16 16 LEU HA H 16 4.983 4.080 0.903 1
1 195 . 20 1 1 A 16 16 LEU CA C 16 55.202 57.538 -2.336 1
1 196 . 20 1 1 A 16 16 LEU CB C 16 41.471 42.291 -0.820 1
1 200 . 20 1 1 A 16 16 LEU N N 16 126.200 126.269 -0.069 1
1 201 . 20 1 1 A 17 17 PHE H H 17 6.522 7.218 -0.696 1
1 202 . 20 1 1 A 17 17 PHE HA H 17 4.858 4.489 0.369 1
1 210 . 20 1 1 A 17 17 PHE CA C 17 55.675 55.754 -0.079 1
1 211 . 20 1 1 A 17 17 PHE CB C 17 41.329 40.684 0.645 1
1 212 . 20 1 1 A 17 17 PHE N N 17 113.650 116.453 -2.803 1
1 213 . 20 1 1 A 18 18 LYS H H 18 8.648 8.707 -0.059 1
1 214 . 20 1 1 A 18 18 LYS HA H 18 4.325 4.401 -0.076 1
1 223 . 20 1 1 A 18 18 LYS CA C 18 54.442 53.954 0.488 1
1 224 . 20 1 1 A 18 18 LYS CB C 18 35.233 35.703 -0.470 1
1 228 . 20 1 1 A 18 18 LYS N N 18 120.586 117.976 2.610 1
1 229 . 20 1 1 A 19 19 ALA H H 19 8.396 8.340 0.056 1
1 230 . 20 1 1 A 19 19 ALA HA H 19 3.956 4.082 -0.126 1
1 234 . 20 1 1 A 19 19 ALA CA C 19 54.151 53.785 0.366 1
1 235 . 20 1 1 A 19 19 ALA CB C 19 18.681 18.279 0.402 1
1 236 . 20 1 1 A 19 19 ALA N N 19 123.901 126.629 -2.728 1
1 237 . 20 1 1 A 20 20 GLY H H 20 8.806 8.925 -0.119 1
1 238 . 20 1 1 A 20 20 GLY HA2 H 20 4.299 3.966 0.333 1
1 239 . 20 1 1 A 20 20 GLY HA3 H 20 3.523 3.992 -0.469 1
1 240 . 20 1 1 A 20 20 GLY CA C 20 45.190 45.091 0.099 1
1 241 . 20 1 1 A 20 20 GLY N N 20 112.460 111.788 0.672 1
1 242 . 20 1 1 A 21 21 ASP H H 21 7.923 7.883 0.040 1
1 243 . 20 1 1 A 21 21 ASP HA H 21 4.489 4.925 -0.436 1
1 246 . 20 1 1 A 21 21 ASP CA C 21 55.477 52.366 3.111 1
1 247 . 20 1 1 A 21 21 ASP CB C 21 41.593 43.073 -1.480 1
1 248 . 20 1 1 A 21 21 ASP N N 21 121.531 121.569 -0.038 1
1 249 . 20 1 1 A 22 22 LYS H H 22 8.292 8.365 -0.073 1
1 250 . 20 1 1 A 22 22 LYS HA H 22 4.861 4.898 -0.037 1
1 259 . 20 1 1 A 22 22 LYS CA C 22 55.789 55.249 0.540 1
1 260 . 20 1 1 A 22 22 LYS CB C 22 31.948 34.701 -2.753 1
1 264 . 20 1 1 A 22 22 LYS N N 22 120.223 120.018 0.205 1
1 265 . 20 1 1 A 23 23 VAL H H 23 8.929 8.622 0.307 1
1 266 . 20 1 1 A 23 23 VAL HA H 23 4.828 5.037 -0.209 1
1 274 . 20 1 1 A 23 23 VAL CA C 23 58.619 59.072 -0.453 1
1 275 . 20 1 1 A 23 23 VAL CB C 23 34.776 35.614 -0.838 1
1 278 . 20 1 1 A 23 23 VAL N N 23 117.770 118.455 -0.685 1
1 279 . 20 1 1 A 24 24 LYS H H 24 7.952 8.372 -0.420 1
1 280 . 20 1 1 A 24 24 LYS HA H 24 4.828 4.436 0.392 1
1 289 . 20 1 1 A 24 24 LYS CA C 24 53.316 55.261 -1.945 1
1 290 . 20 1 1 A 24 24 LYS CB C 24 35.370 33.687 1.683 1
1 294 . 20 1 1 A 24 24 LYS N N 24 121.890 125.192 -3.302 1
1 295 . 20 1 1 A 25 25 LYS H H 25 8.903 8.555 0.348 1
1 296 . 20 1 1 A 25 25 LYS HA H 25 3.152 4.315 -1.163 1
1 304 . 20 1 1 A 25 25 LYS CA C 25 58.780 55.935 2.845 1
1 305 . 20 1 1 A 25 25 LYS CB C 25 32.788 32.183 0.605 1
1 309 . 20 1 1 A 25 25 LYS N N 25 121.717 122.436 -0.719 1
1 310 . 20 1 1 A 26 26 GLY H H 26 8.887 8.114 0.773 1
1 311 . 20 1 1 A 26 26 GLY HA2 H 26 4.277 4.009 0.268 1
1 312 . 20 1 1 A 26 26 GLY HA3 H 26 3.462 4.042 -0.580 1
1 313 . 20 1 1 A 26 26 GLY CA C 26 45.387 44.923 0.464 1
1 314 . 20 1 1 A 26 26 GLY N N 26 115.271 106.861 8.410 1
1 315 . 20 1 1 A 27 27 GLN H H 27 8.423 7.977 0.446 1
1 316 . 20 1 1 A 27 27 GLN HA H 27 4.134 4.320 -0.186 1
1 323 . 20 1 1 A 27 27 GLN CA C 27 56.461 56.124 0.337 1
1 324 . 20 1 1 A 27 27 GLN CB C 27 30.655 28.998 1.657 1
1 326 . 20 1 1 A 27 27 GLN N N 27 123.160 119.825 3.335 1
1 328 . 20 1 1 A 28 28 THR H H 28 9.094 8.778 0.316 1
1 329 . 20 1 1 A 28 28 THR HA H 28 3.884 4.172 -0.288 1
1 334 . 20 1 1 A 28 28 THR CA C 28 66.017 64.096 1.921 1
1 335 . 20 1 1 A 28 28 THR CB C 28 68.577 69.174 -0.597 1
1 337 . 20 1 1 A 28 28 THR N N 28 124.723 118.028 6.695 1
1 338 . 20 1 1 A 29 29 LEU H H 29 9.499 9.352 0.147 1
1 339 . 20 1 1 A 29 29 LEU HA H 29 4.373 4.375 -0.002 1
1 349 . 20 1 1 A 29 29 LEU CA C 29 55.960 55.615 0.345 1
1 350 . 20 1 1 A 29 29 LEU CB C 29 44.601 43.301 1.300 1
1 354 . 20 1 1 A 29 29 LEU N N 29 125.894 127.087 -1.193 1
1 355 . 20 1 1 A 30 30 PHE H H 30 7.572 7.592 -0.020 1
1 356 . 20 1 1 A 30 30 PHE HA H 30 5.360 5.373 -0.013 1
1 364 . 20 1 1 A 30 30 PHE CA C 30 55.655 56.133 -0.478 1
1 365 . 20 1 1 A 30 30 PHE CB C 30 45.053 43.243 1.810 1
1 366 . 20 1 1 A 30 30 PHE N N 30 111.166 114.714 -3.548 1
1 367 . 20 1 1 A 31 31 ILE H H 31 7.850 8.371 -0.521 1
1 368 . 20 1 1 A 31 31 ILE HA H 31 4.808 4.977 -0.169 1
1 378 . 20 1 1 A 31 31 ILE CA C 31 60.159 59.123 1.036 1
1 379 . 20 1 1 A 31 31 ILE CB C 31 39.584 41.776 -2.192 1
1 383 . 20 1 1 A 31 31 ILE N N 31 119.419 119.678 -0.259 1
1 384 . 20 1 1 A 32 32 ILE H H 32 9.095 9.160 -0.065 1
1 385 . 20 1 1 A 32 32 ILE HA H 32 4.830 5.222 -0.392 1
1 395 . 20 1 1 A 32 32 ILE CA C 32 59.205 59.715 -0.510 1
1 396 . 20 1 1 A 32 32 ILE CB C 32 42.206 41.715 0.491 1
1 400 . 20 1 1 A 32 32 ILE N N 32 127.930 126.290 1.640 1
1 401 . 20 1 1 A 33 33 GLU H H 33 9.089 8.928 0.161 1
1 402 . 20 1 1 A 33 33 GLU HA H 33 4.674 4.976 -0.302 1
1 407 . 20 1 1 A 33 33 GLU CA C 33 55.047 54.792 0.255 1
1 408 . 20 1 1 A 33 33 GLU CB C 33 31.851 31.832 0.019 1
1 410 . 20 1 1 A 33 33 GLU N N 33 128.159 125.043 3.116 1
1 411 . 20 1 1 A 34 34 GLN H H 34 8.705 8.868 -0.163 1
1 412 . 20 1 1 A 34 34 GLN HA H 34 4.362 4.149 0.213 1
1 419 . 20 1 1 A 34 34 GLN CA C 34 56.933 58.636 -1.703 1
1 420 . 20 1 1 A 34 34 GLN CB C 34 30.273 29.383 0.890 1
1 422 . 20 1 1 A 34 34 GLN N N 34 128.144 125.429 2.715 1
1 424 . 20 1 1 A 35 35 ASP H H 35 8.488 7.657 0.831 1
1 425 . 20 1 1 A 35 35 ASP HA H 35 4.608 4.908 -0.300 1
1 428 . 20 1 1 A 35 35 ASP CA C 35 54.124 53.948 0.176 1
1 429 . 20 1 1 A 35 35 ASP CB C 35 41.702 43.833 -2.131 1
1 430 . 20 1 1 A 35 35 ASP N N 35 122.441 115.864 6.577 1
1 431 . 20 1 1 A 36 36 GLN H H 36 8.604 8.420 0.184 1
1 432 . 20 1 1 A 36 36 GLN HA H 36 4.021 4.731 -0.710 1
1 439 . 20 1 1 A 36 36 GLN CA C 36 57.273 54.894 2.379 1
1 440 . 20 1 1 A 36 36 GLN CB C 36 29.266 29.121 0.145 1
1 442 . 20 1 1 A 36 36 GLN N N 36 123.042 122.169 0.873 1
1 444 . 20 1 1 A 37 37 ALA H H 37 8.313 8.176 0.137 1
1 445 . 20 1 1 A 37 37 ALA HA H 37 4.212 4.139 0.073 1
1 449 . 20 1 1 A 37 37 ALA CA C 37 53.708 55.246 -1.538 1
1 450 . 20 1 1 A 37 37 ALA CB C 37 18.949 18.167 0.782 1
1 451 . 20 1 1 A 37 37 ALA N N 37 122.748 124.421 -1.673 1
1 452 . 20 1 1 A 38 38 SER H H 38 7.949 8.157 -0.208 1
1 453 . 20 1 1 A 38 38 SER HA H 38 4.285 4.181 0.104 1
1 456 . 20 1 1 A 38 38 SER CA C 38 59.468 61.397 -1.929 1
1 457 . 20 1 1 A 38 38 SER CB C 38 63.874 62.974 0.900 1
1 458 . 20 1 1 A 38 38 SER N N 38 113.828 113.445 0.383 1
1 459 . 20 1 1 A 39 39 LYS H H 39 8.107 7.968 0.139 1
1 460 . 20 1 1 A 39 39 LYS HA H 39 4.124 3.946 0.178 1
1 469 . 20 1 1 A 39 39 LYS CA C 39 57.821 59.718 -1.897 1
1 470 . 20 1 1 A 39 39 LYS CB C 39 32.978 32.210 0.768 1
1 474 . 20 1 1 A 39 39 LYS N N 39 122.900 121.214 1.686 1
1 475 . 20 1 1 A 40 40 ASP H H 40 8.173 7.791 0.382 1
1 476 . 20 1 1 A 40 40 ASP HA H 40 4.477 4.337 0.140 1
1 479 . 20 1 1 A 40 40 ASP CA C 40 55.164 57.257 -2.093 1
1 480 . 20 1 1 A 40 40 ASP CB C 40 41.359 41.508 -0.149 1
1 481 . 20 1 1 A 40 40 ASP N N 40 119.696 119.264 0.432 1
1 482 . 20 1 1 A 41 41 PHE H H 41 8.022 7.975 0.047 1
1 483 . 20 1 1 A 41 41 PHE HA H 41 4.376 4.057 0.319 1
1 488 . 20 1 1 A 41 41 PHE CA C 41 59.354 61.365 -2.011 1
1 489 . 20 1 1 A 41 41 PHE CB C 41 39.414 39.250 0.164 1
1 490 . 20 1 1 A 41 41 PHE N N 41 121.310 119.935 1.375 1
1 491 . 20 1 1 A 42 42 ASN H H 42 8.247 8.763 -0.516 1
1 492 . 20 1 1 A 42 42 ASN HA H 42 4.483 4.402 0.081 1
1 497 . 20 1 1 A 42 42 ASN CA C 42 54.383 56.940 -2.557 1
1 498 . 20 1 1 A 42 42 ASN CB C 42 38.853 39.075 -0.222 1
1 499 . 20 1 1 A 42 42 ASN N N 42 119.282 117.141 2.141 1
1 501 . 20 1 1 A 43 43 ARG H H 43 8.048 7.846 0.202 1
1 502 . 20 1 1 A 43 43 ARG HA H 43 4.130 4.025 0.105 1
1 509 . 20 1 1 A 43 43 ARG CA C 43 57.429 59.328 -1.899 1
1 510 . 20 1 1 A 43 43 ARG CB C 43 30.503 29.917 0.586 1
1 513 . 20 1 1 A 43 43 ARG N N 43 121.050 120.781 0.269 1
1 514 . 20 1 1 A 44 44 SER H H 44 8.111 7.702 0.409 1
1 515 . 20 1 1 A 44 44 SER HA H 44 4.262 4.157 0.105 1
1 518 . 20 1 1 A 44 44 SER CA C 44 59.660 61.913 -2.253 1
1 519 . 20 1 1 A 44 44 SER CB C 44 63.810 62.791 1.019 1
1 520 . 20 1 1 A 44 44 SER N N 44 115.587 116.970 -1.383 1
1 521 . 20 1 1 A 45 45 LYS H H 45 7.968 7.588 0.380 1
1 522 . 20 1 1 A 45 45 LYS HA H 45 4.132 4.062 0.070 1
1 526 . 20 1 1 A 45 45 LYS CA C 45 57.193 58.673 -1.480 1
1 527 . 20 1 1 A 45 45 LYS CB C 45 32.534 32.392 0.142 1
1 529 . 20 1 1 A 45 45 LYS N N 45 122.205 121.899 0.306 1
1 530 . 20 1 1 A 46 46 ALA H H 46 7.936 7.674 0.262 1
1 531 . 20 1 1 A 46 46 ALA HA H 46 4.179 4.271 -0.092 1
1 535 . 20 1 1 A 46 46 ALA CA C 46 53.196 53.051 0.145 1
1 536 . 20 1 1 A 46 46 ALA CB C 46 19.279 19.499 -0.220 1
1 537 . 20 1 1 A 46 46 ALA N N 46 123.430 119.967 3.463 1
1 538 . 20 1 1 A 47 47 LEU H H 47 7.873 7.741 0.132 1
1 539 . 20 1 1 A 47 47 LEU HA H 47 4.147 4.594 -0.447 1
1 549 . 20 1 1 A 47 47 LEU CA C 47 55.854 52.986 2.868 1
1 550 . 20 1 1 A 47 47 LEU CB C 47 42.536 45.238 -2.702 1
1 554 . 20 1 1 A 47 47 LEU N N 47 119.760 117.974 1.786 1
1 555 . 20 1 1 A 48 48 PHE H H 48 7.960 8.458 -0.498 1
1 556 . 20 1 1 A 48 48 PHE HA H 48 4.540 4.012 0.528 1
1 561 . 20 1 1 A 48 48 PHE CA C 48 58.150 62.297 -4.147 1
1 562 . 20 1 1 A 48 48 PHE CB C 48 39.499 36.872 2.627 1
1 563 . 20 1 1 A 48 48 PHE N N 48 119.481 116.869 2.612 1
1 564 . 20 1 1 A 49 49 SER H H 49 8.011 8.627 -0.616 1
1 565 . 20 1 1 A 49 49 SER HA H 49 4.333 4.538 -0.205 1
1 566 . 20 1 1 A 49 49 SER CA C 49 58.675 58.589 0.086 1
1 567 . 20 1 1 A 49 49 SER N N 49 116.263 114.428 1.835 1
1 568 . 20 1 1 A 50 50 GLN H H 50 8.252 8.000 0.252 1
1 569 . 20 1 1 A 50 50 GLN HA H 50 4.250 4.056 0.194 1
1 576 . 20 1 1 A 50 50 GLN CA C 50 56.570 58.872 -2.302 1
1 577 . 20 1 1 A 50 50 GLN CB C 50 29.372 28.014 1.358 1
1 579 . 20 1 1 A 50 50 GLN N N 50 121.890 122.912 -1.022 1
1 581 . 20 1 1 A 51 51 SER H H 51 8.143 8.001 0.142 1
1 582 . 20 1 1 A 51 51 SER HA H 51 4.332 4.239 0.093 1
1 583 . 20 1 1 A 51 51 SER CA C 51 58.848 61.053 -2.205 1
1 584 . 20 1 1 A 51 51 SER N N 51 115.677 116.300 -0.623 1
1 585 . 20 1 1 A 52 52 ALA H H 52 8.168 7.868 0.300 1
1 586 . 20 1 1 A 52 52 ALA HA H 52 4.261 4.411 -0.150 1
1 590 . 20 1 1 A 52 52 ALA CA C 52 53.119 52.359 0.760 1
1 591 . 20 1 1 A 52 52 ALA CB C 52 19.175 20.016 -0.841 1
1 592 . 20 1 1 A 52 52 ALA N N 52 125.354 121.799 3.555 1
1 593 . 20 1 1 A 53 53 ILE H H 53 7.858 7.511 0.347 1
1 594 . 20 1 1 A 53 53 ILE HA H 53 4.094 4.695 -0.601 1
1 604 . 20 1 1 A 53 53 ILE CA C 53 61.666 59.554 2.112 1
1 605 . 20 1 1 A 53 53 ILE CB C 53 39.015 42.023 -3.008 1
1 609 . 20 1 1 A 53 53 ILE N N 53 118.218 118.239 -0.021 1
1 610 . 20 1 1 A 54 54 SER H H 54 8.152 8.378 -0.226 1
1 611 . 20 1 1 A 54 54 SER HA H 54 4.348 4.401 -0.053 1
1 614 . 20 1 1 A 54 54 SER CA C 54 58.678 58.177 0.501 1
1 615 . 20 1 1 A 54 54 SER CB C 54 64.002 63.819 0.183 1
1 616 . 20 1 1 A 54 54 SER N N 54 118.590 123.469 -4.879 1
1 617 . 20 1 1 A 55 55 GLN H H 55 8.298 8.790 -0.492 1
1 618 . 20 1 1 A 55 55 GLN HA H 55 4.198 2.810 1.388 1
1 625 . 20 1 1 A 55 55 GLN CA C 55 56.690 57.468 -0.778 1
1 626 . 20 1 1 A 55 55 GLN CB C 55 29.393 28.210 1.183 1
1 628 . 20 1 1 A 55 55 GLN N N 55 122.154 123.256 -1.102 1
1 630 . 20 1 1 A 56 56 LYS H H 56 8.153 7.747 0.406 1
1 631 . 20 1 1 A 56 56 LYS HA H 56 4.161 4.518 -0.357 1
1 636 . 20 1 1 A 56 56 LYS CA C 56 57.174 56.047 1.127 1
1 637 . 20 1 1 A 56 56 LYS CB C 56 32.991 33.277 -0.286 1
1 639 . 20 1 1 A 56 56 LYS N N 56 121.127 117.715 3.412 1
1 640 . 20 1 1 A 57 57 GLU H H 57 8.201 8.097 0.104 1
1 641 . 20 1 1 A 57 57 GLU HA H 57 4.151 4.435 -0.284 1
1 646 . 20 1 1 A 57 57 GLU CA C 57 57.273 57.755 -0.482 1
1 647 . 20 1 1 A 57 57 GLU CB C 57 30.262 30.512 -0.250 1
1 649 . 20 1 1 A 57 57 GLU N N 57 120.626 118.251 2.375 1
1 650 . 20 1 1 A 58 58 TYR H H 58 8.057 8.122 -0.065 1
1 651 . 20 1 1 A 58 58 TYR HA H 58 4.375 4.436 -0.061 1
1 658 . 20 1 1 A 58 58 TYR CA C 58 58.721 59.674 -0.953 1
1 659 . 20 1 1 A 58 58 TYR CB C 58 39.096 38.825 0.271 1
1 660 . 20 1 1 A 58 58 TYR N N 58 120.841 118.489 2.352 1
1 661 . 20 1 1 A 59 59 ASP H H 59 8.144 8.460 -0.316 1
1 662 . 20 1 1 A 59 59 ASP HA H 59 4.493 4.371 0.122 1
1 665 . 20 1 1 A 59 59 ASP CA C 59 54.505 55.146 -0.641 1
1 666 . 20 1 1 A 59 59 ASP CB C 59 41.233 38.712 2.521 1
1 667 . 20 1 1 A 59 59 ASP N N 59 122.549 120.865 1.684 1
1 668 . 20 1 1 A 60 60 SER H H 60 8.245 7.824 0.421 1
1 669 . 20 1 1 A 60 60 SER HA H 60 4.255 4.147 0.108 1
1 670 . 20 1 1 A 60 60 SER CA C 60 59.650 60.910 -1.260 1
1 671 . 20 1 1 A 60 60 SER N N 60 117.646 114.408 3.238 1
1 672 . 20 1 1 A 61 61 SER H H 61 8.329 7.715 0.614 1
1 673 . 20 1 1 A 61 61 SER HA H 61 4.307 4.328 -0.021 1
1 676 . 20 1 1 A 61 61 SER CA C 61 59.882 60.479 -0.597 1
1 677 . 20 1 1 A 61 61 SER CB C 61 63.888 63.515 0.373 1
1 678 . 20 1 1 A 61 61 SER N N 61 118.138 115.758 2.380 1
1 679 . 20 1 1 A 62 62 LEU H H 62 7.753 7.718 0.035 1
1 680 . 20 1 1 A 62 62 LEU HA H 62 4.227 4.388 -0.161 1
1 690 . 20 1 1 A 62 62 LEU CA C 62 55.640 55.581 0.059 1
1 691 . 20 1 1 A 62 62 LEU CB C 62 42.389 43.315 -0.926 1
1 695 . 20 1 1 A 62 62 LEU N N 62 122.616 119.802 2.814 1
1 696 . 20 1 1 A 63 63 ALA H H 63 7.908 7.598 0.310 1
1 697 . 20 1 1 A 63 63 ALA HA H 63 4.266 4.719 -0.453 1
1 701 . 20 1 1 A 63 63 ALA CA C 63 53.071 51.203 1.868 1
1 702 . 20 1 1 A 63 63 ALA CB C 63 19.373 23.158 -3.785 1
1 703 . 20 1 1 A 63 63 ALA N N 63 123.326 118.310 5.016 1
1 704 . 20 1 1 A 64 64 THR H H 64 7.855 8.475 -0.620 1
1 705 . 20 1 1 A 64 64 THR HA H 64 4.212 4.829 -0.617 1
1 710 . 20 1 1 A 64 64 THR CA C 64 61.955 61.029 0.926 1
1 711 . 20 1 1 A 64 64 THR CB C 64 69.997 72.520 -2.523 1
1 713 . 20 1 1 A 64 64 THR N N 64 112.019 111.540 0.479 1
1 714 . 20 1 1 A 65 65 LEU H H 65 7.970 8.613 -0.643 1
1 715 . 20 1 1 A 65 65 LEU HA H 65 4.290 4.279 0.011 1
1 725 . 20 1 1 A 65 65 LEU CA C 65 55.509 54.383 1.126 1
1 726 . 20 1 1 A 65 65 LEU CB C 65 42.619 41.147 1.472 1
1 730 . 20 1 1 A 65 65 LEU N N 65 123.564 123.530 0.034 1
1 731 . 20 1 1 A 66 66 ASP H H 66 8.271 8.280 -0.009 1
1 732 . 20 1 1 A 66 66 ASP HA H 66 4.538 4.127 0.411 1
1 735 . 20 1 1 A 66 66 ASP CA C 66 54.906 55.351 -0.445 1
1 736 . 20 1 1 A 66 66 ASP CB C 66 41.384 39.219 2.165 1
1 737 . 20 1 1 A 66 66 ASP N N 66 120.385 115.178 5.207 1
1 738 . 20 1 1 A 67 67 HIS H H 67 8.020 7.622 0.398 1
1 739 . 20 1 1 A 67 67 HIS HA H 67 5.236 5.125 0.111 1
1 744 . 20 1 1 A 67 67 HIS CA C 67 55.411 56.098 -0.687 1
1 745 . 20 1 1 A 67 67 HIS CB C 67 32.135 31.911 0.224 1
1 746 . 20 1 1 A 67 67 HIS N N 67 119.214 117.414 1.800 1
1 747 . 20 1 1 A 68 68 THR H H 68 8.903 8.772 0.131 1
1 748 . 20 1 1 A 68 68 THR HA H 68 4.474 4.938 -0.464 1
1 753 . 20 1 1 A 68 68 THR CA C 68 62.536 60.784 1.752 1
1 754 . 20 1 1 A 68 68 THR CB C 68 71.267 72.639 -1.372 1
1 756 . 20 1 1 A 68 68 THR N N 68 117.138 114.408 2.730 1
1 757 . 20 1 1 A 69 69 GLU H H 69 8.630 8.834 -0.204 1
1 758 . 20 1 1 A 69 69 GLU HA H 69 4.480 5.190 -0.710 1
1 763 . 20 1 1 A 69 69 GLU CA C 69 56.016 55.027 0.989 1
1 764 . 20 1 1 A 69 69 GLU CB C 69 31.824 33.118 -1.294 1
1 766 . 20 1 1 A 69 69 GLU N N 69 124.226 122.432 1.794 1
1 767 . 20 1 1 A 70 70 ILE H H 70 8.589 8.853 -0.264 1
1 768 . 20 1 1 A 70 70 ILE HA H 70 4.405 4.990 -0.585 1
1 778 . 20 1 1 A 70 70 ILE CA C 70 59.367 59.814 -0.447 1
1 779 . 20 1 1 A 70 70 ILE CB C 70 37.492 40.866 -3.374 1
1 783 . 20 1 1 A 70 70 ILE N N 70 123.526 121.286 2.240 1
1 784 . 20 1 1 A 71 71 LYS H H 71 8.910 8.553 0.357 1
1 785 . 20 1 1 A 71 71 LYS HA H 71 5.070 4.943 0.127 1
1 790 . 20 1 1 A 71 71 LYS CA C 71 54.732 54.239 0.493 1
1 791 . 20 1 1 A 71 71 LYS CB C 71 36.388 36.210 0.178 1
1 793 . 20 1 1 A 71 71 LYS N N 71 128.313 125.263 3.050 1
1 794 . 20 1 1 A 72 72 ALA H H 72 8.623 8.843 -0.220 1
1 795 . 20 1 1 A 72 72 ALA HA H 72 4.060 4.305 -0.245 1
1 799 . 20 1 1 A 72 72 ALA CA C 72 50.119 50.901 -0.782 1
1 800 . 20 1 1 A 72 72 ALA CB C 72 17.261 18.093 -0.832 1
1 801 . 20 1 1 A 72 72 ALA N N 72 123.091 125.209 -2.118 1
1 802 . 20 1 1 A 73 73 PRO HA H 73 4.328 4.419 -0.091 1
1 809 . 20 1 1 A 73 73 PRO CA C 73 63.731 64.437 -0.706 1
1 810 . 20 1 1 A 73 73 PRO CB C 73 32.196 32.082 0.114 1
1 813 . 20 1 1 A 74 74 PHE H H 74 6.758 6.795 -0.037 1
1 814 . 20 1 1 A 74 74 PHE HA H 74 4.414 4.942 -0.528 1
1 821 . 20 1 1 A 74 74 PHE CA C 74 54.539 56.060 -1.521 1
1 822 . 20 1 1 A 74 74 PHE CB C 74 40.862 40.675 0.187 1
1 823 . 20 1 1 A 74 74 PHE N N 74 112.045 112.146 -0.101 1
1 824 . 20 1 1 A 75 75 ASP H H 75 8.563 8.923 -0.360 1
1 825 . 20 1 1 A 75 75 ASP HA H 75 4.915 4.807 0.108 1
1 828 . 20 1 1 A 75 75 ASP CA C 75 54.108 55.518 -1.410 1
1 829 . 20 1 1 A 75 75 ASP CB C 75 41.011 41.553 -0.542 1
1 830 . 20 1 1 A 75 75 ASP N N 75 118.284 121.163 -2.879 1
1 831 . 20 1 1 A 76 76 GLY H H 76 8.340 8.291 0.049 1
1 832 . 20 1 1 A 76 76 GLY HA2 H 76 4.228 4.305 -0.077 1
1 833 . 20 1 1 A 76 76 GLY HA3 H 76 4.070 4.410 -0.340 1
1 834 . 20 1 1 A 76 76 GLY CA C 76 46.761 46.481 0.280 1
1 835 . 20 1 1 A 76 76 GLY N N 76 108.739 111.920 -3.181 1
1 836 . 20 1 1 A 77 77 THR H H 77 8.607 8.620 -0.013 1
1 837 . 20 1 1 A 77 77 THR HA H 77 4.966 5.028 -0.062 1
1 842 . 20 1 1 A 77 77 THR CA C 77 61.891 61.513 0.378 1
1 843 . 20 1 1 A 77 77 THR CB C 77 70.413 71.643 -1.230 1
1 845 . 20 1 1 A 77 77 THR N N 77 116.423 115.221 1.202 1
1 846 . 20 1 1 A 78 78 ILE H H 78 8.815 9.288 -0.473 1
1 847 . 20 1 1 A 78 78 ILE HA H 78 4.656 4.986 -0.330 1
1 857 . 20 1 1 A 78 78 ILE CA C 78 60.214 59.127 1.087 1
1 858 . 20 1 1 A 78 78 ILE CB C 78 43.110 41.489 1.621 1
1 862 . 20 1 1 A 78 78 ILE N N 78 129.313 128.819 0.494 1
1 863 . 20 1 1 A 79 79 GLY H H 79 8.052 9.018 -0.966 1
1 864 . 20 1 1 A 79 79 GLY HA2 H 79 4.394 4.173 0.221 1
1 865 . 20 1 1 A 79 79 GLY HA3 H 79 3.765 4.175 -0.410 1
1 866 . 20 1 1 A 79 79 GLY CA C 79 44.297 44.206 0.091 1
1 867 . 20 1 1 A 79 79 GLY N N 79 114.522 115.131 -0.609 1
1 868 . 20 1 1 A 80 80 ASP H H 80 7.792 8.538 -0.746 1
1 869 . 20 1 1 A 80 80 ASP HA H 80 4.706 4.584 0.122 1
1 872 . 20 1 1 A 80 80 ASP CA C 80 53.784 54.663 -0.879 1
1 873 . 20 1 1 A 80 80 ASP CB C 80 42.062 41.021 1.041 1
1 874 . 20 1 1 A 80 80 ASP N N 80 113.706 118.159 -4.453 1
1 875 . 20 1 1 A 81 81 ALA H H 81 8.552 8.702 -0.150 1
1 876 . 20 1 1 A 81 81 ALA HA H 81 4.567 4.768 -0.201 1
1 880 . 20 1 1 A 81 81 ALA CA C 81 53.345 53.038 0.307 1
1 881 . 20 1 1 A 81 81 ALA CB C 81 20.325 19.171 1.154 1
1 882 . 20 1 1 A 81 81 ALA N N 81 124.168 125.172 -1.004 1
1 883 . 20 1 1 A 82 82 LEU H H 82 8.734 9.336 -0.602 1
1 884 . 20 1 1 A 82 82 LEU HA H 82 4.338 4.772 -0.434 1
1 893 . 20 1 1 A 82 82 LEU CA C 82 55.320 54.482 0.838 1
1 894 . 20 1 1 A 82 82 LEU CB C 82 41.616 43.431 -1.815 1
1 897 . 20 1 1 A 82 82 LEU N N 82 121.830 122.482 -0.652 1
1 898 . 20 1 1 A 83 83 VAL H H 83 7.136 7.687 -0.551 1
1 899 . 20 1 1 A 83 83 VAL HA H 83 4.489 4.929 -0.440 1
1 907 . 20 1 1 A 83 83 VAL CA C 83 58.552 58.783 -0.231 1
1 908 . 20 1 1 A 83 83 VAL CB C 83 35.418 36.150 -0.732 1
1 911 . 20 1 1 A 83 83 VAL N N 83 108.193 114.127 -5.934 1
1 912 . 20 1 1 A 84 84 ASN H H 84 9.073 8.948 0.125 1
1 913 . 20 1 1 A 84 84 ASN HA H 84 4.872 5.322 -0.450 1
1 918 . 20 1 1 A 84 84 ASN CA C 84 51.417 51.388 0.029 1
1 919 . 20 1 1 A 84 84 ASN CB C 84 42.127 42.906 -0.779 1
1 920 . 20 1 1 A 84 84 ASN N N 84 119.533 119.470 0.063 1
1 922 . 20 1 1 A 85 85 ILE H H 85 8.390 8.525 -0.135 1
1 923 . 20 1 1 A 85 85 ILE HA H 85 3.384 3.732 -0.348 1
1 933 . 20 1 1 A 85 85 ILE CA C 85 63.985 63.943 0.042 1
1 934 . 20 1 1 A 85 85 ILE CB C 85 37.368 37.242 0.126 1
1 938 . 20 1 1 A 85 85 ILE N N 85 119.414 122.424 -3.010 1
1 939 . 20 1 1 A 86 86 GLY H H 86 9.229 8.483 0.746 1
1 940 . 20 1 1 A 86 86 GLY HA2 H 86 4.392 4.038 0.354 1
1 941 . 20 1 1 A 86 86 GLY HA3 H 86 3.412 4.041 -0.629 1
1 942 . 20 1 1 A 86 86 GLY CA C 86 44.946 44.960 -0.014 1
1 943 . 20 1 1 A 86 86 GLY N N 86 117.337 115.490 1.847 1
1 944 . 20 1 1 A 87 87 ASP H H 87 7.956 8.422 -0.466 1
1 945 . 20 1 1 A 87 87 ASP HA H 87 4.599 4.679 -0.080 1
1 948 . 20 1 1 A 87 87 ASP CA C 87 55.055 54.928 0.127 1
1 949 . 20 1 1 A 87 87 ASP CB C 87 40.978 41.248 -0.270 1
1 950 . 20 1 1 A 87 87 ASP N N 87 121.511 121.997 -0.486 1
1 951 . 20 1 1 A 88 88 TYR H H 88 8.545 8.841 -0.296 1
1 952 . 20 1 1 A 88 88 TYR HA H 88 4.718 4.725 -0.007 1
1 959 . 20 1 1 A 88 88 TYR CA C 88 57.954 57.376 0.578 1
1 960 . 20 1 1 A 88 88 TYR CB C 88 39.411 38.506 0.905 1
1 961 . 20 1 1 A 88 88 TYR N N 88 122.327 125.785 -3.458 1
1 962 . 20 1 1 A 89 89 VAL H H 89 8.937 8.345 0.592 1
1 963 . 20 1 1 A 89 89 VAL HA H 89 4.565 4.838 -0.273 1
1 971 . 20 1 1 A 89 89 VAL CA C 89 58.580 59.487 -0.907 1
1 972 . 20 1 1 A 89 89 VAL CB C 89 34.504 33.958 0.546 1
1 975 . 20 1 1 A 89 89 VAL N N 89 121.838 122.706 -0.868 1
1 976 . 20 1 1 A 90 90 SER H H 90 8.761 8.590 0.171 1
1 977 . 20 1 1 A 90 90 SER HA H 90 4.562 5.114 -0.552 1
1 980 . 20 1 1 A 90 90 SER CA C 90 56.974 56.141 0.833 1
1 981 . 20 1 1 A 90 90 SER CB C 90 65.027 65.520 -0.493 1
1 982 . 20 1 1 A 90 90 SER N N 90 114.806 117.304 -2.498 1
1 983 . 20 1 1 A 91 91 ALA H H 91 8.692 8.971 -0.279 1
1 984 . 20 1 1 A 91 91 ALA HA H 91 3.505 4.099 -0.594 1
1 988 . 20 1 1 A 91 91 ALA CA C 91 53.471 54.886 -1.415 1
1 989 . 20 1 1 A 91 91 ALA CB C 91 18.719 18.397 0.322 1
1 990 . 20 1 1 A 91 91 ALA N N 91 129.873 129.590 0.283 1
1 991 . 20 1 1 A 92 92 SER H H 92 9.156 7.888 1.268 1
1 992 . 20 1 1 A 92 92 SER HA H 92 3.804 4.665 -0.861 1
1 995 . 20 1 1 A 92 92 SER CA C 92 60.827 57.344 3.483 1
1 996 . 20 1 1 A 92 92 SER CB C 92 62.630 64.577 -1.947 1
1 997 . 20 1 1 A 92 92 SER N N 92 113.297 108.071 5.226 1
1 998 . 20 1 1 A 93 93 THR H H 93 7.806 7.744 0.062 1
1 999 . 20 1 1 A 93 93 THR HA H 93 4.387 4.413 -0.026 1
1 1004 . 20 1 1 A 93 93 THR CA C 93 64.607 63.220 1.387 1
1 1005 . 20 1 1 A 93 93 THR CB C 93 71.127 69.684 1.443 1
1 1007 . 20 1 1 A 93 93 THR N N 93 113.896 114.404 -0.508 1
1 1008 . 20 1 1 A 94 94 THR H H 94 7.691 7.224 0.467 1
1 1009 . 20 1 1 A 94 94 THR HA H 94 3.899 4.913 -1.014 1
1 1014 . 20 1 1 A 94 94 THR CA C 94 65.258 61.507 3.751 1
1 1015 . 20 1 1 A 94 94 THR CB C 94 70.283 71.387 -1.104 1
1 1017 . 20 1 1 A 94 94 THR N N 94 119.603 115.255 4.348 1
1 1018 . 20 1 1 A 95 95 GLU H H 95 8.389 8.996 -0.607 1
1 1019 . 20 1 1 A 95 95 GLU HA H 95 3.793 4.618 -0.825 1
1 1024 . 20 1 1 A 95 95 GLU CA C 95 56.783 55.478 1.305 1
1 1025 . 20 1 1 A 95 95 GLU CB C 95 29.777 30.834 -1.057 1
1 1027 . 20 1 1 A 95 95 GLU N N 95 124.816 126.838 -2.022 1
1 1028 . 20 1 1 A 96 96 LEU H H 96 8.735 8.662 0.073 1
1 1029 . 20 1 1 A 96 96 LEU HA H 96 4.249 4.144 0.105 1
1 1039 . 20 1 1 A 96 96 LEU CA C 96 57.071 55.955 1.116 1
1 1040 . 20 1 1 A 96 96 LEU CB C 96 43.517 41.883 1.634 1
1 1044 . 20 1 1 A 96 96 LEU N N 96 120.104 126.662 -6.558 1
1 1045 . 20 1 1 A 97 97 VAL H H 97 7.049 7.316 -0.267 1
1 1046 . 20 1 1 A 97 97 VAL HA H 97 4.334 4.367 -0.033 1
1 1054 . 20 1 1 A 97 97 VAL CA C 97 61.411 61.007 0.404 1
1 1055 . 20 1 1 A 97 97 VAL CB C 97 31.724 34.420 -2.696 1
1 1058 . 20 1 1 A 97 97 VAL N N 97 112.399 114.336 -1.937 1
1 1059 . 20 1 1 A 98 98 ARG H H 98 8.968 8.637 0.331 1
1 1060 . 20 1 1 A 98 98 ARG HA H 98 5.255 5.269 -0.014 1
1 1067 . 20 1 1 A 98 98 ARG CA C 98 55.391 55.065 0.326 1
1 1068 . 20 1 1 A 98 98 ARG CB C 98 32.925 31.831 1.094 1
1 1071 . 20 1 1 A 98 98 ARG N N 98 127.489 124.457 3.032 1
1 1072 . 20 1 1 A 99 99 VAL H H 99 8.884 8.337 0.547 1
1 1073 . 20 1 1 A 99 99 VAL HA H 99 4.554 4.940 -0.386 1
1 1078 . 20 1 1 A 99 99 VAL CA C 99 60.996 59.467 1.529 1
1 1079 . 20 1 1 A 99 99 VAL CB C 99 34.358 35.687 -1.329 1
1 1081 . 20 1 1 A 99 99 VAL N N 99 122.863 120.614 2.249 1
1 1082 . 20 1 1 A 100 100 THR H H 100 8.823 8.901 -0.078 1
1 1083 . 20 1 1 A 100 100 THR HA H 100 4.552 5.327 -0.775 1
1 1088 . 20 1 1 A 100 100 THR CA C 100 61.105 60.345 0.760 1
1 1089 . 20 1 1 A 100 100 THR CB C 100 70.859 71.990 -1.131 1
1 1091 . 20 1 1 A 100 100 THR N N 100 121.813 120.338 1.475 1
1 1092 . 20 1 1 A 101 101 ASN H H 101 8.146 8.753 -0.607 1
1 1093 . 20 1 1 A 101 101 ASN HA H 101 4.505 5.111 -0.606 1
1 1098 . 20 1 1 A 101 101 ASN CA C 101 54.283 53.416 0.867 1
1 1099 . 20 1 1 A 101 101 ASN CB C 101 38.631 39.078 -0.447 1
1 1100 . 20 1 1 A 101 101 ASN N N 101 122.582 127.653 -5.071 1
1 1102 . 20 1 1 A 102 102 LEU H H 102 8.154 8.622 -0.468 1
1 1103 . 20 1 1 A 102 102 LEU HA H 102 4.236 4.423 -0.187 1
1 1113 . 20 1 1 A 102 102 LEU CA C 102 55.618 54.715 0.903 1
1 1114 . 20 1 1 A 102 102 LEU CB C 102 42.842 42.365 0.477 1
1 1118 . 20 1 1 A 102 102 LEU N N 102 122.572 124.853 -2.281 1
1 1119 . 20 1 1 A 103 103 ASN H H 103 8.393 8.668 -0.275 1
1 1120 . 20 1 1 A 103 103 ASN HA H 103 4.862 4.878 -0.016 1
1 1125 . 20 1 1 A 103 103 ASN CA C 103 51.431 51.920 -0.489 1
1 1126 . 20 1 1 A 103 103 ASN CB C 103 39.172 37.890 1.282 1
1 1127 . 20 1 1 A 103 103 ASN N N 103 120.155 119.046 1.109 1
1 1129 . 20 1 1 A 104 104 PRO HA H 104 4.224 4.579 -0.355 1
1 1136 . 20 1 1 A 104 104 PRO CA C 104 63.636 63.898 -0.262 1
1 1137 . 20 1 1 A 104 104 PRO CB C 104 32.301 32.712 -0.411 1
1 1140 . 20 1 1 A 105 105 ILE H H 105 7.870 8.200 -0.330 1
1 1141 . 20 1 1 A 105 105 ILE HA H 105 3.934 3.977 -0.043 1
1 1151 . 20 1 1 A 105 105 ILE CA C 105 61.566 63.162 -1.596 1
1 1152 . 20 1 1 A 105 105 ILE CB C 105 38.723 37.487 1.236 1
1 1156 . 20 1 1 A 105 105 ILE N N 105 119.425 117.864 1.561 1
1 1157 . 20 1 1 A 106 106 TYR H H 106 7.945 8.030 -0.085 1
1 1158 . 20 1 1 A 106 106 TYR HA H 106 4.529 4.508 0.021 1
1 1165 . 20 1 1 A 106 106 TYR CA C 106 57.548 59.520 -1.972 1
1 1166 . 20 1 1 A 106 106 TYR CB C 106 39.048 38.771 0.277 1
1 1167 . 20 1 1 A 106 106 TYR N N 106 123.138 120.983 2.155 1
1 1168 . 20 1 1 A 107 107 ALA H H 107 8.113 7.993 0.120 1
1 1169 . 20 1 1 A 107 107 ALA HA H 107 4.213 4.575 -0.362 1
1 1173 . 20 1 1 A 107 107 ALA CA C 107 52.847 51.966 0.881 1
1 1174 . 20 1 1 A 107 107 ALA CB C 107 19.450 21.305 -1.855 1
1 1175 . 20 1 1 A 107 107 ALA N N 107 125.476 119.664 5.812 1
1 1176 . 20 1 1 A 108 108 ASP H H 108 8.140 8.098 0.042 1
1 1177 . 20 1 1 A 108 108 ASP HA H 108 4.502 4.795 -0.293 1
1 1180 . 20 1 1 A 108 108 ASP CA C 108 54.515 53.281 1.234 1
1 1181 . 20 1 1 A 108 108 ASP CB C 108 41.436 44.139 -2.703 1
1 1182 . 20 1 1 A 108 108 ASP N N 108 119.275 117.009 2.266 1
1 1183 . 20 1 1 A 109 109 GLY H H 109 8.304 8.176 0.128 1
1 1184 . 20 1 1 A 109 109 GLY HA2 H 109 3.930 3.897 0.033 1
1 1185 . 20 1 1 A 109 109 GLY HA3 H 109 3.844 3.955 -0.111 1
1 1186 . 20 1 1 A 109 109 GLY CA C 109 45.809 45.423 0.386 1
1 1187 . 20 1 1 A 109 109 GLY N N 109 109.463 113.077 -3.614 1
1 1188 . 20 1 1 A 110 110 SER H H 110 8.169 7.770 0.399 1
1 1189 . 20 1 1 A 110 110 SER HA H 110 4.263 4.452 -0.189 1
1 1190 . 20 1 1 A 110 110 SER CA C 110 59.017 58.493 0.524 1
1 1191 . 20 1 1 A 110 110 SER N N 110 115.630 115.861 -0.231 1
1 1192 . 20 1 1 A 111 111 HIS HA H 111 4.522 4.421 0.101 1
1 1195 . 20 1 1 A 111 111 HIS CA C 111 56.269 56.323 -0.054 1
1 1196 . 20 1 1 A 111 111 HIS CB C 111 30.558 29.922 0.636 1
1 1197 . 20 1 1 A 112 112 HIS HA H 112 4.341 5.195 -0.854 1
1 1200 . 20 1 1 A 112 112 HIS CA C 112 57.660 53.108 4.552 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 111 1.333 1
3 1 1 1 "RMS(OBS, PRED)" CB 99 1.274 1
4 1 1 1 "RMS(OBS, PRED)" H 106 0.431 1
5 1 1 1 "RMS(OBS, PRED)" HA 118 0.376 1
6 1 1 1 "RMS(OBS, PRED)" N 106 3.058 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 111 1.256 1
9 1 2 1 "RMS(OBS, PRED)" CB 99 1.305 1
10 1 2 1 "RMS(OBS, PRED)" H 106 0.440 1
11 1 2 1 "RMS(OBS, PRED)" HA 118 0.408 1
12 1 2 1 "RMS(OBS, PRED)" N 106 3.041 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 111 1.272 1
15 1 3 1 "RMS(OBS, PRED)" CB 99 1.312 1
16 1 3 1 "RMS(OBS, PRED)" H 106 0.404 1
17 1 3 1 "RMS(OBS, PRED)" HA 118 0.378 1
18 1 3 1 "RMS(OBS, PRED)" N 106 3.145 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 111 1.354 1
21 1 4 1 "RMS(OBS, PRED)" CB 99 1.263 1
22 1 4 1 "RMS(OBS, PRED)" H 106 0.406 1
23 1 4 1 "RMS(OBS, PRED)" HA 118 0.385 1
24 1 4 1 "RMS(OBS, PRED)" N 106 3.160 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 111 1.256 1
27 1 5 1 "RMS(OBS, PRED)" CB 99 1.350 1
28 1 5 1 "RMS(OBS, PRED)" H 106 0.459 1
29 1 5 1 "RMS(OBS, PRED)" HA 118 0.397 1
30 1 5 1 "RMS(OBS, PRED)" N 106 2.722 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 111 1.431 1
33 1 6 1 "RMS(OBS, PRED)" CB 99 1.255 1
34 1 6 1 "RMS(OBS, PRED)" H 106 0.428 1
35 1 6 1 "RMS(OBS, PRED)" HA 118 0.349 1
36 1 6 1 "RMS(OBS, PRED)" N 106 3.237 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 111 1.284 1
39 1 7 1 "RMS(OBS, PRED)" CB 99 1.203 1
40 1 7 1 "RMS(OBS, PRED)" H 106 0.407 1
41 1 7 1 "RMS(OBS, PRED)" HA 118 0.362 1
42 1 7 1 "RMS(OBS, PRED)" N 106 2.993 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 111 1.356 1
45 1 8 1 "RMS(OBS, PRED)" CB 99 1.375 1
46 1 8 1 "RMS(OBS, PRED)" H 106 0.445 1
47 1 8 1 "RMS(OBS, PRED)" HA 118 0.391 1
48 1 8 1 "RMS(OBS, PRED)" N 106 2.842 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 111 1.266 1
51 1 9 1 "RMS(OBS, PRED)" CB 99 1.300 1
52 1 9 1 "RMS(OBS, PRED)" H 106 0.448 1
53 1 9 1 "RMS(OBS, PRED)" HA 118 0.396 1
54 1 9 1 "RMS(OBS, PRED)" N 106 2.840 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 111 1.180 1
57 1 10 1 "RMS(OBS, PRED)" CB 99 1.293 1
58 1 10 1 "RMS(OBS, PRED)" H 106 0.410 1
59 1 10 1 "RMS(OBS, PRED)" HA 118 0.370 1
60 1 10 1 "RMS(OBS, PRED)" N 106 3.067 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 111 1.322 1
63 1 11 1 "RMS(OBS, PRED)" CB 99 1.427 1
64 1 11 1 "RMS(OBS, PRED)" H 106 0.427 1
65 1 11 1 "RMS(OBS, PRED)" HA 118 0.382 1
66 1 11 1 "RMS(OBS, PRED)" N 106 2.876 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 111 1.252 1
69 1 12 1 "RMS(OBS, PRED)" CB 99 1.355 1
70 1 12 1 "RMS(OBS, PRED)" H 106 0.424 1
71 1 12 1 "RMS(OBS, PRED)" HA 118 0.352 1
72 1 12 1 "RMS(OBS, PRED)" N 106 3.034 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 111 1.198 1
75 1 13 1 "RMS(OBS, PRED)" CB 99 1.419 1
76 1 13 1 "RMS(OBS, PRED)" H 106 0.436 1
77 1 13 1 "RMS(OBS, PRED)" HA 118 0.341 1
78 1 13 1 "RMS(OBS, PRED)" N 106 2.924 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 111 1.298 1
81 1 14 1 "RMS(OBS, PRED)" CB 99 1.223 1
82 1 14 1 "RMS(OBS, PRED)" H 106 0.443 1
83 1 14 1 "RMS(OBS, PRED)" HA 118 0.359 1
84 1 14 1 "RMS(OBS, PRED)" N 106 3.092 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 111 1.246 1
87 1 15 1 "RMS(OBS, PRED)" CB 99 1.343 1
88 1 15 1 "RMS(OBS, PRED)" H 106 0.451 1
89 1 15 1 "RMS(OBS, PRED)" HA 118 0.403 1
90 1 15 1 "RMS(OBS, PRED)" N 106 2.885 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 111 1.349 1
93 1 16 1 "RMS(OBS, PRED)" CB 99 1.283 1
94 1 16 1 "RMS(OBS, PRED)" H 106 0.430 1
95 1 16 1 "RMS(OBS, PRED)" HA 118 0.404 1
96 1 16 1 "RMS(OBS, PRED)" N 106 3.069 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 111 1.364 1
99 1 17 1 "RMS(OBS, PRED)" CB 99 1.340 1
100 1 17 1 "RMS(OBS, PRED)" H 106 0.442 1
101 1 17 1 "RMS(OBS, PRED)" HA 118 0.380 1
102 1 17 1 "RMS(OBS, PRED)" N 106 2.850 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 111 1.393 1
105 1 18 1 "RMS(OBS, PRED)" CB 99 1.239 1
106 1 18 1 "RMS(OBS, PRED)" H 106 0.424 1
107 1 18 1 "RMS(OBS, PRED)" HA 118 0.371 1
108 1 18 1 "RMS(OBS, PRED)" N 106 3.097 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 111 1.284 1
111 1 19 1 "RMS(OBS, PRED)" CB 99 1.401 1
112 1 19 1 "RMS(OBS, PRED)" H 106 0.440 1
113 1 19 1 "RMS(OBS, PRED)" HA 118 0.361 1
114 1 19 1 "RMS(OBS, PRED)" N 106 3.114 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 111 1.425 1
117 1 20 1 "RMS(OBS, PRED)" CB 99 1.368 1
118 1 20 1 "RMS(OBS, PRED)" H 106 0.407 1
119 1 20 1 "RMS(OBS, PRED)" HA 118 0.397 1
120 1 20 1 "RMS(OBS, PRED)" N 106 2.790 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 2 . 1 1 A 2 2 VAL H H 2 8.608 8.486 0.122 2
1 3 . 1 1 A 2 2 VAL HA H 2 4.472 4.611 -0.139 2
1 11 . 1 1 A 2 2 VAL CA C 2 61.161 61.078 0.083 2
1 12 . 1 1 A 2 2 VAL CB C 2 35.825 34.595 1.230 2
1 15 . 1 1 A 2 2 VAL N N 2 117.995 120.318 -2.323 2
1 16 . 1 1 A 3 3 ILE H H 3 8.424 8.874 -0.450 2
1 17 . 1 1 A 3 3 ILE HA H 3 4.489 4.603 -0.114 2
1 27 . 1 1 A 3 3 ILE CA C 3 60.273 60.434 -0.161 2
1 28 . 1 1 A 3 3 ILE CB C 3 38.595 38.617 -0.022 2
1 32 . 1 1 A 3 3 ILE N N 3 125.647 126.715 -1.068 2
1 33 . 1 1 A 4 4 ILE H H 4 8.531 8.815 -0.284 2
1 34 . 1 1 A 4 4 ILE HA H 4 3.990 4.130 -0.140 2
1 44 . 1 1 A 4 4 ILE CA C 4 61.656 61.858 -0.202 2
1 45 . 1 1 A 4 4 ILE CB C 4 38.183 38.589 -0.406 2
1 49 . 1 1 A 4 4 ILE N N 4 127.472 130.300 -2.828 2
1 50 . 1 1 A 5 5 LYS H H 5 8.277 8.814 -0.537 2
1 51 . 1 1 A 5 5 LYS HA H 5 5.164 4.712 0.452 2
1 60 . 1 1 A 5 5 LYS CA C 5 53.440 52.916 0.524 2
1 61 . 1 1 A 5 5 LYS CB C 5 33.808 35.381 -1.573 2
1 65 . 1 1 A 5 5 LYS N N 5 126.697 126.464 0.233 2
1 66 . 1 1 A 6 6 PRO HA H 6 4.370 4.701 -0.331 2
1 73 . 1 1 A 6 6 PRO CA C 6 62.493 62.266 0.227 2
1 74 . 1 1 A 6 6 PRO CB C 6 32.091 32.734 -0.643 2
1 77 . 1 1 A 7 7 GLN H H 7 9.334 8.331 1.003 2
1 78 . 1 1 A 7 7 GLN HA H 7 4.348 4.199 0.149 2
1 85 . 1 1 A 7 7 GLN CA C 7 56.384 56.370 0.014 2
1 86 . 1 1 A 7 7 GLN CB C 7 28.934 28.603 0.331 2
1 88 . 1 1 A 7 7 GLN N N 7 119.944 118.693 1.251 2
1 90 . 1 1 A 8 8 VAL H H 8 7.021 7.343 -0.322 2
1 91 . 1 1 A 8 8 VAL HA H 8 4.476 4.865 -0.389 2
1 99 . 1 1 A 8 8 VAL CA C 8 58.999 58.847 0.152 2
1 100 . 1 1 A 8 8 VAL CB C 8 35.347 35.758 -0.411 2
1 103 . 1 1 A 8 8 VAL N N 8 111.118 115.204 -4.087 2
1 104 . 1 1 A 9 9 SER H H 9 8.155 8.631 -0.476 2
1 105 . 1 1 A 9 9 SER HA H 9 4.945 4.906 0.039 2
1 108 . 1 1 A 9 9 SER CA C 9 56.704 57.079 -0.375 2
1 109 . 1 1 A 9 9 SER CB C 9 64.645 65.240 -0.595 2
1 110 . 1 1 A 9 9 SER N N 9 114.983 116.524 -1.541 2
1 111 . 1 1 A 10 10 GLY H H 10 7.981 8.257 -0.276 2
1 112 . 1 1 A 10 10 GLY HA2 H 10 4.416 4.140 0.276 2
1 113 . 1 1 A 10 10 GLY HA3 H 10 3.643 4.211 -0.568 2
1 114 . 1 1 A 10 10 GLY CA C 10 45.433 45.076 0.357 2
1 115 . 1 1 A 10 10 GLY N N 10 108.602 107.602 1.000 2
1 116 . 1 1 A 11 11 VAL H H 11 8.018 8.263 -0.245 2
1 117 . 1 1 A 11 11 VAL HA H 11 4.740 4.969 -0.229 2
1 125 . 1 1 A 11 11 VAL CA C 11 60.580 59.874 0.706 2
1 126 . 1 1 A 11 11 VAL CB C 11 35.124 35.675 -0.551 2
1 129 . 1 1 A 11 11 VAL N N 11 118.346 119.081 -0.735 2
1 130 . 1 1 A 12 12 ILE H H 12 8.452 8.726 -0.274 2
1 131 . 1 1 A 12 12 ILE HA H 12 4.042 4.260 -0.218 2
1 141 . 1 1 A 12 12 ILE CA C 12 60.400 62.316 -1.916 2
1 142 . 1 1 A 12 12 ILE CB C 12 35.725 38.137 -2.412 2
1 146 . 1 1 A 12 12 ILE N N 12 125.267 125.437 -0.170 2
1 147 . 1 1 A 13 13 VAL H H 13 8.900 9.315 -0.415 2
1 148 . 1 1 A 13 13 VAL HA H 13 4.492 4.313 0.179 2
1 156 . 1 1 A 13 13 VAL CA C 13 62.168 63.344 -1.176 2
1 157 . 1 1 A 13 13 VAL CB C 13 33.406 33.797 -0.391 2
1 160 . 1 1 A 13 13 VAL N N 13 124.539 125.618 -1.079 2
1 161 . 1 1 A 14 14 ASN H H 14 7.649 7.507 0.142 2
1 162 . 1 1 A 14 14 ASN HA H 14 4.805 5.186 -0.381 2
1 167 . 1 1 A 14 14 ASN CA C 14 52.950 52.278 0.672 2
1 168 . 1 1 A 14 14 ASN CB C 14 42.149 41.984 0.165 2
1 169 . 1 1 A 14 14 ASN N N 14 115.008 116.743 -1.735 2
1 171 . 1 1 A 15 15 LYS H H 15 8.393 8.562 -0.169 2
1 172 . 1 1 A 15 15 LYS HA H 15 4.640 4.700 -0.060 2
1 179 . 1 1 A 15 15 LYS CA C 15 55.987 54.861 1.126 2
1 180 . 1 1 A 15 15 LYS CB C 15 35.412 33.324 2.088 2
1 183 . 1 1 A 15 15 LYS N N 15 123.820 122.069 1.751 2
1 184 . 1 1 A 16 16 LEU H H 16 8.015 8.409 -0.394 2
1 185 . 1 1 A 16 16 LEU HA H 16 4.983 3.946 1.037 2
1 195 . 1 1 A 16 16 LEU CA C 16 55.202 57.678 -2.477 2
1 196 . 1 1 A 16 16 LEU CB C 16 41.471 42.131 -0.660 2
1 200 . 1 1 A 16 16 LEU N N 16 126.200 126.335 -0.135 2
1 201 . 1 1 A 17 17 PHE H H 17 6.522 7.231 -0.709 2
1 202 . 1 1 A 17 17 PHE HA H 17 4.858 4.488 0.370 2
1 210 . 1 1 A 17 17 PHE CA C 17 55.675 56.172 -0.497 2
1 211 . 1 1 A 17 17 PHE CB C 17 41.329 40.641 0.688 2
1 212 . 1 1 A 17 17 PHE N N 17 113.650 116.370 -2.720 2
1 213 . 1 1 A 18 18 LYS H H 18 8.648 8.816 -0.168 2
1 214 . 1 1 A 18 18 LYS HA H 18 4.325 4.399 -0.074 2
1 223 . 1 1 A 18 18 LYS CA C 18 54.442 53.897 0.545 2
1 224 . 1 1 A 18 18 LYS CB C 18 35.233 35.764 -0.531 2
1 228 . 1 1 A 18 18 LYS N N 18 120.586 118.061 2.525 2
1 229 . 1 1 A 19 19 ALA H H 19 8.396 8.355 0.041 2
1 230 . 1 1 A 19 19 ALA HA H 19 3.956 4.230 -0.274 2
1 234 . 1 1 A 19 19 ALA CA C 19 54.151 53.847 0.304 2
1 235 . 1 1 A 19 19 ALA CB C 19 18.681 18.357 0.324 2
1 236 . 1 1 A 19 19 ALA N N 19 123.901 126.672 -2.771 2
1 237 . 1 1 A 20 20 GLY H H 20 8.806 8.772 0.034 2
1 238 . 1 1 A 20 20 GLY HA2 H 20 4.299 3.999 0.300 2
1 239 . 1 1 A 20 20 GLY HA3 H 20 3.523 4.022 -0.499 2
1 240 . 1 1 A 20 20 GLY CA C 20 45.190 45.092 0.098 2
1 241 . 1 1 A 20 20 GLY N N 20 112.460 111.715 0.745 2
1 242 . 1 1 A 21 21 ASP H H 21 7.923 7.989 -0.066 2
1 243 . 1 1 A 21 21 ASP HA H 21 4.489 4.809 -0.320 2
1 246 . 1 1 A 21 21 ASP CA C 21 55.477 52.911 2.566 2
1 247 . 1 1 A 21 21 ASP CB C 21 41.593 42.553 -0.960 2
1 248 . 1 1 A 21 21 ASP N N 21 121.531 121.913 -0.382 2
1 249 . 1 1 A 22 22 LYS H H 22 8.292 8.428 -0.136 2
1 250 . 1 1 A 22 22 LYS HA H 22 4.861 4.906 -0.045 2
1 259 . 1 1 A 22 22 LYS CA C 22 55.789 55.255 0.534 2
1 260 . 1 1 A 22 22 LYS CB C 22 31.948 35.135 -3.187 2
1 264 . 1 1 A 22 22 LYS N N 22 120.223 120.402 -0.179 2
1 265 . 1 1 A 23 23 VAL H H 23 8.929 8.905 0.024 2
1 266 . 1 1 A 23 23 VAL HA H 23 4.828 4.938 -0.110 2
1 274 . 1 1 A 23 23 VAL CA C 23 58.619 59.206 -0.587 2
1 275 . 1 1 A 23 23 VAL CB C 23 34.776 35.560 -0.784 2
1 278 . 1 1 A 23 23 VAL N N 23 117.770 118.593 -0.823 2
1 279 . 1 1 A 24 24 LYS H H 24 7.952 8.387 -0.435 2
1 280 . 1 1 A 24 24 LYS HA H 24 4.828 4.456 0.372 2
1 289 . 1 1 A 24 24 LYS CA C 24 53.316 55.666 -2.349 2
1 290 . 1 1 A 24 24 LYS CB C 24 35.370 33.466 1.904 2
1 294 . 1 1 A 24 24 LYS N N 24 121.890 124.977 -3.087 2
1 295 . 1 1 A 25 25 LYS H H 25 8.903 8.641 0.262 2
1 296 . 1 1 A 25 25 LYS HA H 25 3.152 4.228 -1.076 2
1 304 . 1 1 A 25 25 LYS CA C 25 58.780 56.680 2.100 2
1 305 . 1 1 A 25 25 LYS CB C 25 32.788 31.645 1.142 2
1 309 . 1 1 A 25 25 LYS N N 25 121.717 123.366 -1.649 2
1 310 . 1 1 A 26 26 GLY H H 26 8.887 8.570 0.317 2
1 311 . 1 1 A 26 26 GLY HA2 H 26 4.277 3.963 0.314 2
1 312 . 1 1 A 26 26 GLY HA3 H 26 3.462 3.994 -0.532 2
1 313 . 1 1 A 26 26 GLY CA C 26 45.387 45.088 0.299 2
1 314 . 1 1 A 26 26 GLY N N 26 115.271 108.487 6.784 2
1 315 . 1 1 A 27 27 GLN H H 27 8.423 7.940 0.483 2
1 316 . 1 1 A 27 27 GLN HA H 27 4.134 4.330 -0.196 2
1 323 . 1 1 A 27 27 GLN CA C 27 56.461 56.151 0.310 2
1 324 . 1 1 A 27 27 GLN CB C 27 30.655 29.053 1.602 2
1 326 . 1 1 A 27 27 GLN N N 27 123.160 120.084 3.076 2
1 328 . 1 1 A 28 28 THR H H 28 9.094 8.778 0.316 2
1 329 . 1 1 A 28 28 THR HA H 28 3.884 4.179 -0.295 2
1 334 . 1 1 A 28 28 THR CA C 28 66.017 64.195 1.822 2
1 335 . 1 1 A 28 28 THR CB C 28 68.577 69.081 -0.504 2
1 337 . 1 1 A 28 28 THR N N 28 124.723 118.481 6.242 2
1 338 . 1 1 A 29 29 LEU H H 29 9.499 9.372 0.127 2
1 339 . 1 1 A 29 29 LEU HA H 29 4.373 4.408 -0.035 2
1 349 . 1 1 A 29 29 LEU CA C 29 55.960 55.684 0.276 2
1 350 . 1 1 A 29 29 LEU CB C 29 44.601 43.288 1.313 2
1 354 . 1 1 A 29 29 LEU N N 29 125.894 127.106 -1.212 2
1 355 . 1 1 A 30 30 PHE H H 30 7.572 7.647 -0.075 2
1 356 . 1 1 A 30 30 PHE HA H 30 5.360 5.415 -0.055 2
1 364 . 1 1 A 30 30 PHE CA C 30 55.655 56.093 -0.438 2
1 365 . 1 1 A 30 30 PHE CB C 30 45.053 43.225 1.828 2
1 366 . 1 1 A 30 30 PHE N N 30 111.166 114.747 -3.581 2
1 367 . 1 1 A 31 31 ILE H H 31 7.850 8.405 -0.555 2
1 368 . 1 1 A 31 31 ILE HA H 31 4.808 4.927 -0.119 2
1 378 . 1 1 A 31 31 ILE CA C 31 60.159 59.230 0.929 2
1 379 . 1 1 A 31 31 ILE CB C 31 39.584 41.696 -2.112 2
1 383 . 1 1 A 31 31 ILE N N 31 119.419 119.796 -0.377 2
1 384 . 1 1 A 32 32 ILE H H 32 9.095 9.101 -0.005 2
1 385 . 1 1 A 32 32 ILE HA H 32 4.830 5.285 -0.455 2
1 395 . 1 1 A 32 32 ILE CA C 32 59.205 59.700 -0.495 2
1 396 . 1 1 A 32 32 ILE CB C 32 42.206 41.541 0.665 2
1 400 . 1 1 A 32 32 ILE N N 32 127.930 126.420 1.510 2
1 401 . 1 1 A 33 33 GLU H H 33 9.089 9.106 -0.017 2
1 402 . 1 1 A 33 33 GLU HA H 33 4.674 4.995 -0.321 2
1 407 . 1 1 A 33 33 GLU CA C 33 55.047 54.791 0.256 2
1 408 . 1 1 A 33 33 GLU CB C 33 31.851 31.793 0.058 2
1 410 . 1 1 A 33 33 GLU N N 33 128.159 125.642 2.517 2
1 411 . 1 1 A 34 34 GLN H H 34 8.705 8.928 -0.223 2
1 412 . 1 1 A 34 34 GLN HA H 34 4.362 4.258 0.104 2
1 419 . 1 1 A 34 34 GLN CA C 34 56.933 57.021 -0.088 2
1 420 . 1 1 A 34 34 GLN CB C 34 30.273 28.874 1.399 2
1 422 . 1 1 A 34 34 GLN N N 34 128.144 125.915 2.229 2
1 424 . 1 1 A 35 35 ASP H H 35 8.488 8.024 0.464 2
1 425 . 1 1 A 35 35 ASP HA H 35 4.608 4.596 0.012 2
1 428 . 1 1 A 35 35 ASP CA C 35 54.124 54.707 -0.583 2
1 429 . 1 1 A 35 35 ASP CB C 35 41.702 41.465 0.237 2
1 430 . 1 1 A 35 35 ASP N N 35 122.441 117.154 5.287 2
1 431 . 1 1 A 36 36 GLN H H 36 8.604 8.362 0.242 2
1 432 . 1 1 A 36 36 GLN HA H 36 4.021 4.516 -0.494 2
1 439 . 1 1 A 36 36 GLN CA C 36 57.273 55.579 1.694 2
1 440 . 1 1 A 36 36 GLN CB C 36 29.266 28.563 0.703 2
1 442 . 1 1 A 36 36 GLN N N 36 123.042 119.141 3.901 2
1 444 . 1 1 A 37 37 ALA H H 37 8.313 7.991 0.322 2
1 445 . 1 1 A 37 37 ALA HA H 37 4.212 4.103 0.109 2
1 449 . 1 1 A 37 37 ALA CA C 37 53.708 55.066 -1.358 2
1 450 . 1 1 A 37 37 ALA CB C 37 18.949 18.420 0.529 2
1 451 . 1 1 A 37 37 ALA N N 37 122.748 124.663 -1.915 2
1 452 . 1 1 A 38 38 SER H H 38 7.949 7.991 -0.042 2
1 453 . 1 1 A 38 38 SER HA H 38 4.285 4.392 -0.107 2
1 456 . 1 1 A 38 38 SER CA C 38 59.468 60.786 -1.318 2
1 457 . 1 1 A 38 38 SER CB C 38 63.874 63.280 0.594 2
1 458 . 1 1 A 38 38 SER N N 38 113.828 113.767 0.061 2
1 459 . 1 1 A 39 39 LYS H H 39 8.107 7.959 0.148 2
1 460 . 1 1 A 39 39 LYS HA H 39 4.124 4.051 0.074 2
1 469 . 1 1 A 39 39 LYS CA C 39 57.821 59.156 -1.335 2
1 470 . 1 1 A 39 39 LYS CB C 39 32.978 32.156 0.822 2
1 474 . 1 1 A 39 39 LYS N N 39 122.900 122.178 0.722 2
1 475 . 1 1 A 40 40 ASP H H 40 8.173 7.899 0.274 2
1 476 . 1 1 A 40 40 ASP HA H 40 4.477 4.617 -0.140 2
1 479 . 1 1 A 40 40 ASP CA C 40 55.164 56.335 -1.171 2
1 480 . 1 1 A 40 40 ASP CB C 40 41.359 41.537 -0.178 2
1 481 . 1 1 A 40 40 ASP N N 40 119.696 119.161 0.535 2
1 482 . 1 1 A 41 41 PHE H H 41 8.022 8.278 -0.256 2
1 483 . 1 1 A 41 41 PHE HA H 41 4.376 4.175 0.201 2
1 488 . 1 1 A 41 41 PHE CA C 41 59.354 60.809 -1.455 2
1 489 . 1 1 A 41 41 PHE CB C 41 39.414 39.321 0.093 2
1 490 . 1 1 A 41 41 PHE N N 41 121.310 120.244 1.066 2
1 491 . 1 1 A 42 42 ASN H H 42 8.247 8.714 -0.468 2
1 492 . 1 1 A 42 42 ASN HA H 42 4.483 4.474 0.009 2
1 497 . 1 1 A 42 42 ASN CA C 42 54.383 56.070 -1.687 2
1 498 . 1 1 A 42 42 ASN CB C 42 38.853 38.331 0.522 2
1 499 . 1 1 A 42 42 ASN N N 42 119.282 117.199 2.083 2
1 501 . 1 1 A 43 43 ARG H H 43 8.048 7.878 0.169 2
1 502 . 1 1 A 43 43 ARG HA H 43 4.130 4.057 0.073 2
1 509 . 1 1 A 43 43 ARG CA C 43 57.429 59.374 -1.945 2
1 510 . 1 1 A 43 43 ARG CB C 43 30.503 29.910 0.593 2
1 513 . 1 1 A 43 43 ARG N N 43 121.050 119.551 1.499 2
1 514 . 1 1 A 44 44 SER H H 44 8.111 8.109 0.002 2
1 515 . 1 1 A 44 44 SER HA H 44 4.262 4.191 0.071 2
1 518 . 1 1 A 44 44 SER CA C 44 59.660 61.338 -1.678 2
1 519 . 1 1 A 44 44 SER CB C 44 63.810 62.810 1.000 2
1 520 . 1 1 A 44 44 SER N N 44 115.587 115.702 -0.115 2
1 521 . 1 1 A 45 45 LYS H H 45 7.968 7.698 0.270 2
1 522 . 1 1 A 45 45 LYS HA H 45 4.132 4.134 -0.002 2
1 526 . 1 1 A 45 45 LYS CA C 45 57.193 58.336 -1.143 2
1 527 . 1 1 A 45 45 LYS CB C 45 32.534 32.269 0.265 2
1 529 . 1 1 A 45 45 LYS N N 45 122.205 120.690 1.515 2
1 530 . 1 1 A 46 46 ALA H H 46 7.936 7.743 0.193 2
1 531 . 1 1 A 46 46 ALA HA H 46 4.179 4.289 -0.110 2
1 535 . 1 1 A 46 46 ALA CA C 46 53.196 53.063 0.133 2
1 536 . 1 1 A 46 46 ALA CB C 46 19.279 18.954 0.325 2
1 537 . 1 1 A 46 46 ALA N N 46 123.430 120.856 2.574 2
1 538 . 1 1 A 47 47 LEU H H 47 7.873 7.600 0.273 2
1 539 . 1 1 A 47 47 LEU HA H 47 4.147 4.260 -0.113 2
1 549 . 1 1 A 47 47 LEU CA C 47 55.854 55.961 -0.107 2
1 550 . 1 1 A 47 47 LEU CB C 47 42.536 43.040 -0.504 2
1 554 . 1 1 A 47 47 LEU N N 47 119.760 119.073 0.687 2
1 555 . 1 1 A 48 48 PHE H H 48 7.960 8.299 -0.339 2
1 556 . 1 1 A 48 48 PHE HA H 48 4.540 4.530 0.010 2
1 561 . 1 1 A 48 48 PHE CA C 48 58.150 58.745 -0.595 2
1 562 . 1 1 A 48 48 PHE CB C 48 39.499 39.818 -0.319 2
1 563 . 1 1 A 48 48 PHE N N 48 119.481 118.134 1.347 2
1 564 . 1 1 A 49 49 SER H H 49 8.011 8.294 -0.283 2
1 565 . 1 1 A 49 49 SER HA H 49 4.333 4.368 -0.035 2
1 566 . 1 1 A 49 49 SER CA C 49 58.675 59.344 -0.669 2
1 567 . 1 1 A 49 49 SER N N 49 116.263 114.810 1.453 2
1 568 . 1 1 A 50 50 GLN H H 50 8.252 8.343 -0.091 2
1 569 . 1 1 A 50 50 GLN HA H 50 4.250 4.090 0.160 2
1 576 . 1 1 A 50 50 GLN CA C 50 56.570 58.081 -1.511 2
1 577 . 1 1 A 50 50 GLN CB C 50 29.372 28.416 0.956 2
1 579 . 1 1 A 50 50 GLN N N 50 121.890 122.150 -0.260 2
1 581 . 1 1 A 51 51 SER H H 51 8.143 8.047 0.096 2
1 582 . 1 1 A 51 51 SER HA H 51 4.332 4.298 0.034 2
1 583 . 1 1 A 51 51 SER CA C 51 58.848 61.034 -2.186 2
1 584 . 1 1 A 51 51 SER N N 51 115.677 115.860 -0.183 2
1 585 . 1 1 A 52 52 ALA H H 52 8.168 7.675 0.493 2
1 586 . 1 1 A 52 52 ALA HA H 52 4.261 4.254 0.007 2
1 590 . 1 1 A 52 52 ALA CA C 52 53.119 53.402 -0.283 2
1 591 . 1 1 A 52 52 ALA CB C 52 19.175 19.190 -0.015 2
1 592 . 1 1 A 52 52 ALA N N 52 125.354 122.377 2.977 2
1 593 . 1 1 A 53 53 ILE H H 53 7.858 7.825 0.033 2
1 594 . 1 1 A 53 53 ILE HA H 53 4.094 4.330 -0.236 2
1 604 . 1 1 A 53 53 ILE CA C 53 61.666 61.482 0.184 2
1 605 . 1 1 A 53 53 ILE CB C 53 39.015 39.059 -0.044 2
1 609 . 1 1 A 53 53 ILE N N 53 118.218 116.812 1.406 2
1 610 . 1 1 A 54 54 SER H H 54 8.152 8.136 0.016 2
1 611 . 1 1 A 54 54 SER HA H 54 4.348 4.369 -0.021 2
1 614 . 1 1 A 54 54 SER CA C 54 58.678 59.123 -0.445 2
1 615 . 1 1 A 54 54 SER CB C 54 64.002 64.069 -0.067 2
1 616 . 1 1 A 54 54 SER N N 54 118.590 118.648 -0.058 2
1 617 . 1 1 A 55 55 GLN H H 55 8.298 8.588 -0.290 2
1 618 . 1 1 A 55 55 GLN HA H 55 4.198 3.259 0.939 2
1 625 . 1 1 A 55 55 GLN CA C 55 56.690 57.703 -1.013 2
1 626 . 1 1 A 55 55 GLN CB C 55 29.393 28.299 1.094 2
1 628 . 1 1 A 55 55 GLN N N 55 122.154 123.833 -1.679 2
1 630 . 1 1 A 56 56 LYS H H 56 8.153 7.842 0.311 2
1 631 . 1 1 A 56 56 LYS HA H 56 4.161 4.535 -0.373 2
1 636 . 1 1 A 56 56 LYS CA C 56 57.174 56.188 0.986 2
1 637 . 1 1 A 56 56 LYS CB C 56 32.991 33.652 -0.661 2
1 639 . 1 1 A 56 56 LYS N N 56 121.127 117.133 3.994 2
1 640 . 1 1 A 57 57 GLU H H 57 8.201 8.129 0.072 2
1 641 . 1 1 A 57 57 GLU HA H 57 4.151 4.455 -0.304 2
1 646 . 1 1 A 57 57 GLU CA C 57 57.273 57.614 -0.341 2
1 647 . 1 1 A 57 57 GLU CB C 57 30.262 30.968 -0.706 2
1 649 . 1 1 A 57 57 GLU N N 57 120.626 117.752 2.874 2
1 650 . 1 1 A 58 58 TYR H H 58 8.057 8.514 -0.457 2
1 651 . 1 1 A 58 58 TYR HA H 58 4.375 4.417 -0.042 2
1 658 . 1 1 A 58 58 TYR CA C 58 58.721 59.760 -1.039 2
1 659 . 1 1 A 58 58 TYR CB C 58 39.096 37.252 1.844 2
1 660 . 1 1 A 58 58 TYR N N 58 120.841 118.692 2.149 2
1 661 . 1 1 A 59 59 ASP H H 59 8.144 8.328 -0.184 2
1 662 . 1 1 A 59 59 ASP HA H 59 4.493 4.125 0.368 2
1 665 . 1 1 A 59 59 ASP CA C 59 54.505 55.958 -1.453 2
1 666 . 1 1 A 59 59 ASP CB C 59 41.233 40.111 1.122 2
1 667 . 1 1 A 59 59 ASP N N 59 122.549 121.522 1.027 2
1 668 . 1 1 A 60 60 SER H H 60 8.245 7.976 0.269 2
1 669 . 1 1 A 60 60 SER HA H 60 4.255 4.184 0.071 2
1 670 . 1 1 A 60 60 SER CA C 60 59.650 61.280 -1.630 2
1 671 . 1 1 A 60 60 SER N N 60 117.646 116.246 1.400 2
1 672 . 1 1 A 61 61 SER H H 61 8.329 7.971 0.358 2
1 673 . 1 1 A 61 61 SER HA H 61 4.307 4.405 -0.098 2
1 676 . 1 1 A 61 61 SER CA C 61 59.882 60.317 -0.435 2
1 677 . 1 1 A 61 61 SER CB C 61 63.888 63.664 0.224 2
1 678 . 1 1 A 61 61 SER N N 61 118.138 116.709 1.429 2
1 679 . 1 1 A 62 62 LEU H H 62 7.753 7.439 0.314 2
1 680 . 1 1 A 62 62 LEU HA H 62 4.227 4.205 0.022 2
1 690 . 1 1 A 62 62 LEU CA C 62 55.640 56.127 -0.487 2
1 691 . 1 1 A 62 62 LEU CB C 62 42.389 42.756 -0.367 2
1 695 . 1 1 A 62 62 LEU N N 62 122.616 119.060 3.556 2
1 696 . 1 1 A 63 63 ALA H H 63 7.908 7.630 0.278 2
1 697 . 1 1 A 63 63 ALA HA H 63 4.266 4.561 -0.295 2
1 701 . 1 1 A 63 63 ALA CA C 63 53.071 51.184 1.887 2
1 702 . 1 1 A 63 63 ALA CB C 63 19.373 21.203 -1.831 2
1 703 . 1 1 A 63 63 ALA N N 63 123.326 118.412 4.914 2
1 704 . 1 1 A 64 64 THR H H 64 7.855 8.307 -0.452 2
1 705 . 1 1 A 64 64 THR HA H 64 4.212 4.428 -0.216 2
1 710 . 1 1 A 64 64 THR CA C 64 61.955 62.570 -0.615 2
1 711 . 1 1 A 64 64 THR CB C 64 69.997 70.088 -0.091 2
1 713 . 1 1 A 64 64 THR N N 64 112.019 113.353 -1.334 2
1 714 . 1 1 A 65 65 LEU H H 65 7.970 8.678 -0.708 2
1 715 . 1 1 A 65 65 LEU HA H 65 4.290 4.143 0.147 2
1 725 . 1 1 A 65 65 LEU CA C 65 55.509 55.267 0.242 2
1 726 . 1 1 A 65 65 LEU CB C 65 42.619 41.047 1.572 2
1 730 . 1 1 A 65 65 LEU N N 65 123.564 123.838 -0.274 2
1 731 . 1 1 A 66 66 ASP H H 66 8.271 8.179 0.092 2
1 732 . 1 1 A 66 66 ASP HA H 66 4.538 4.298 0.240 2
1 735 . 1 1 A 66 66 ASP CA C 66 54.906 54.829 0.077 2
1 736 . 1 1 A 66 66 ASP CB C 66 41.384 39.431 1.953 2
1 737 . 1 1 A 66 66 ASP N N 66 120.385 115.563 4.822 2
1 738 . 1 1 A 67 67 HIS H H 67 8.020 7.761 0.259 2
1 739 . 1 1 A 67 67 HIS HA H 67 5.236 5.142 0.094 2
1 744 . 1 1 A 67 67 HIS CA C 67 55.411 56.239 -0.828 2
1 745 . 1 1 A 67 67 HIS CB C 67 32.135 31.629 0.506 2
1 746 . 1 1 A 67 67 HIS N N 67 119.214 118.124 1.090 2
1 747 . 1 1 A 68 68 THR H H 68 8.903 8.827 0.076 2
1 748 . 1 1 A 68 68 THR HA H 68 4.474 4.868 -0.394 2
1 753 . 1 1 A 68 68 THR CA C 68 62.536 61.056 1.480 2
1 754 . 1 1 A 68 68 THR CB C 68 71.267 72.386 -1.119 2
1 756 . 1 1 A 68 68 THR N N 68 117.138 114.809 2.329 2
1 757 . 1 1 A 69 69 GLU H H 69 8.630 8.776 -0.146 2
1 758 . 1 1 A 69 69 GLU HA H 69 4.480 5.137 -0.657 2
1 763 . 1 1 A 69 69 GLU CA C 69 56.016 55.326 0.690 2
1 764 . 1 1 A 69 69 GLU CB C 69 31.824 32.358 -0.534 2
1 766 . 1 1 A 69 69 GLU N N 69 124.226 123.527 0.699 2
1 767 . 1 1 A 70 70 ILE H H 70 8.589 8.846 -0.257 2
1 768 . 1 1 A 70 70 ILE HA H 70 4.405 4.974 -0.570 2
1 778 . 1 1 A 70 70 ILE CA C 70 59.367 59.842 -0.475 2
1 779 . 1 1 A 70 70 ILE CB C 70 37.492 40.813 -3.321 2
1 783 . 1 1 A 70 70 ILE N N 70 123.526 121.775 1.751 2
1 784 . 1 1 A 71 71 LYS H H 71 8.910 8.768 0.142 2
1 785 . 1 1 A 71 71 LYS HA H 71 5.070 4.957 0.113 2
1 790 . 1 1 A 71 71 LYS CA C 71 54.732 54.299 0.433 2
1 791 . 1 1 A 71 71 LYS CB C 71 36.388 36.152 0.236 2
1 793 . 1 1 A 71 71 LYS N N 71 128.313 124.940 3.373 2
1 794 . 1 1 A 72 72 ALA H H 72 8.623 8.931 -0.308 2
1 795 . 1 1 A 72 72 ALA HA H 72 4.060 4.321 -0.261 2
1 799 . 1 1 A 72 72 ALA CA C 72 50.119 50.910 -0.791 2
1 800 . 1 1 A 72 72 ALA CB C 72 17.261 18.044 -0.783 2
1 801 . 1 1 A 72 72 ALA N N 72 123.091 124.021 -0.930 2
1 802 . 1 1 A 73 73 PRO HA H 73 4.328 4.408 -0.080 2
1 809 . 1 1 A 73 73 PRO CA C 73 63.731 64.384 -0.653 2
1 810 . 1 1 A 73 73 PRO CB C 73 32.196 31.922 0.274 2
1 813 . 1 1 A 74 74 PHE H H 74 6.758 6.849 -0.091 2
1 814 . 1 1 A 74 74 PHE HA H 74 4.414 4.913 -0.499 2
1 821 . 1 1 A 74 74 PHE CA C 74 54.539 56.094 -1.555 2
1 822 . 1 1 A 74 74 PHE CB C 74 40.862 40.516 0.346 2
1 823 . 1 1 A 74 74 PHE N N 74 112.045 112.752 -0.707 2
1 824 . 1 1 A 75 75 ASP H H 75 8.563 8.898 -0.335 2
1 825 . 1 1 A 75 75 ASP HA H 75 4.915 5.018 -0.103 2
1 828 . 1 1 A 75 75 ASP CA C 75 54.108 55.074 -0.966 2
1 829 . 1 1 A 75 75 ASP CB C 75 41.011 41.554 -0.543 2
1 830 . 1 1 A 75 75 ASP N N 75 118.284 120.505 -2.221 2
1 831 . 1 1 A 76 76 GLY H H 76 8.340 8.347 -0.007 2
1 832 . 1 1 A 76 76 GLY HA2 H 76 4.228 4.326 -0.098 2
1 833 . 1 1 A 76 76 GLY HA3 H 76 4.070 4.412 -0.342 2
1 834 . 1 1 A 76 76 GLY CA C 76 46.761 46.288 0.473 2
1 835 . 1 1 A 76 76 GLY N N 76 108.739 110.942 -2.202 2
1 836 . 1 1 A 77 77 THR H H 77 8.607 8.952 -0.345 2
1 837 . 1 1 A 77 77 THR HA H 77 4.966 5.197 -0.231 2
1 842 . 1 1 A 77 77 THR CA C 77 61.891 61.237 0.654 2
1 843 . 1 1 A 77 77 THR CB C 77 70.413 71.843 -1.430 2
1 845 . 1 1 A 77 77 THR N N 77 116.423 115.714 0.709 2
1 846 . 1 1 A 78 78 ILE H H 78 8.815 8.799 0.016 2
1 847 . 1 1 A 78 78 ILE HA H 78 4.656 4.949 -0.293 2
1 857 . 1 1 A 78 78 ILE CA C 78 60.214 59.570 0.644 2
1 858 . 1 1 A 78 78 ILE CB C 78 43.110 41.917 1.193 2
1 862 . 1 1 A 78 78 ILE N N 78 129.313 123.831 5.482 2
1 863 . 1 1 A 79 79 GLY H H 79 8.052 8.937 -0.885 2
1 864 . 1 1 A 79 79 GLY HA2 H 79 4.394 4.157 0.238 2
1 865 . 1 1 A 79 79 GLY HA3 H 79 3.765 4.161 -0.396 2
1 866 . 1 1 A 79 79 GLY CA C 79 44.297 44.346 -0.049 2
1 867 . 1 1 A 79 79 GLY N N 79 114.522 116.181 -1.659 2
1 868 . 1 1 A 80 80 ASP H H 80 7.792 8.579 -0.787 2
1 869 . 1 1 A 80 80 ASP HA H 80 4.706 4.584 0.122 2
1 872 . 1 1 A 80 80 ASP CA C 80 53.784 54.750 -0.966 2
1 873 . 1 1 A 80 80 ASP CB C 80 42.062 40.982 1.080 2
1 874 . 1 1 A 80 80 ASP N N 80 113.706 118.639 -4.933 2
1 875 . 1 1 A 81 81 ALA H H 81 8.552 8.736 -0.185 2
1 876 . 1 1 A 81 81 ALA HA H 81 4.567 4.739 -0.172 2
1 880 . 1 1 A 81 81 ALA CA C 81 53.345 52.856 0.489 2
1 881 . 1 1 A 81 81 ALA CB C 81 20.325 19.527 0.798 2
1 882 . 1 1 A 81 81 ALA N N 81 124.168 125.662 -1.494 2
1 883 . 1 1 A 82 82 LEU H H 82 8.734 9.355 -0.621 2
1 884 . 1 1 A 82 82 LEU HA H 82 4.338 4.672 -0.334 2
1 893 . 1 1 A 82 82 LEU CA C 82 55.320 54.701 0.619 2
1 894 . 1 1 A 82 82 LEU CB C 82 41.616 43.057 -1.441 2
1 897 . 1 1 A 82 82 LEU N N 82 121.830 121.787 0.043 2
1 898 . 1 1 A 83 83 VAL H H 83 7.136 7.673 -0.537 2
1 899 . 1 1 A 83 83 VAL HA H 83 4.489 4.921 -0.432 2
1 907 . 1 1 A 83 83 VAL CA C 83 58.552 58.690 -0.138 2
1 908 . 1 1 A 83 83 VAL CB C 83 35.418 36.127 -0.709 2
1 911 . 1 1 A 83 83 VAL N N 83 108.193 113.696 -5.503 2
1 912 . 1 1 A 84 84 ASN H H 84 9.073 9.003 0.070 2
1 913 . 1 1 A 84 84 ASN HA H 84 4.872 5.321 -0.449 2
1 918 . 1 1 A 84 84 ASN CA C 84 51.417 51.430 -0.013 2
1 919 . 1 1 A 84 84 ASN CB C 84 42.127 42.964 -0.837 2
1 920 . 1 1 A 84 84 ASN N N 84 119.533 119.415 0.118 2
1 922 . 1 1 A 85 85 ILE H H 85 8.390 8.525 -0.135 2
1 923 . 1 1 A 85 85 ILE HA H 85 3.384 3.714 -0.330 2
1 933 . 1 1 A 85 85 ILE CA C 85 63.985 63.994 -0.009 2
1 934 . 1 1 A 85 85 ILE CB C 85 37.368 37.295 0.073 2
1 938 . 1 1 A 85 85 ILE N N 85 119.414 122.350 -2.936 2
1 939 . 1 1 A 86 86 GLY H H 86 9.229 8.660 0.569 2
1 940 . 1 1 A 86 86 GLY HA2 H 86 4.392 4.057 0.335 2
1 941 . 1 1 A 86 86 GLY HA3 H 86 3.412 4.061 -0.650 2
1 942 . 1 1 A 86 86 GLY CA C 86 44.946 44.956 -0.010 2
1 943 . 1 1 A 86 86 GLY N N 86 117.337 115.534 1.803 2
1 944 . 1 1 A 87 87 ASP H H 87 7.956 8.354 -0.398 2
1 945 . 1 1 A 87 87 ASP HA H 87 4.599 4.687 -0.088 2
1 948 . 1 1 A 87 87 ASP CA C 87 55.055 54.918 0.137 2
1 949 . 1 1 A 87 87 ASP CB C 87 40.978 41.245 -0.267 2
1 950 . 1 1 A 87 87 ASP N N 87 121.511 121.960 -0.449 2
1 951 . 1 1 A 88 88 TYR H H 88 8.545 8.882 -0.337 2
1 952 . 1 1 A 88 88 TYR HA H 88 4.718 4.762 -0.044 2
1 959 . 1 1 A 88 88 TYR CA C 88 57.954 58.390 -0.436 2
1 960 . 1 1 A 88 88 TYR CB C 88 39.411 38.869 0.542 2
1 961 . 1 1 A 88 88 TYR N N 88 122.327 126.078 -3.751 2
1 962 . 1 1 A 89 89 VAL H H 89 8.937 8.401 0.536 2
1 963 . 1 1 A 89 89 VAL HA H 89 4.565 4.809 -0.244 2
1 971 . 1 1 A 89 89 VAL CA C 89 58.580 59.361 -0.781 2
1 972 . 1 1 A 89 89 VAL CB C 89 34.504 34.837 -0.333 2
1 975 . 1 1 A 89 89 VAL N N 89 121.838 122.167 -0.329 2
1 976 . 1 1 A 90 90 SER H H 90 8.761 8.491 0.270 2
1 977 . 1 1 A 90 90 SER HA H 90 4.562 5.081 -0.519 2
1 980 . 1 1 A 90 90 SER CA C 90 56.974 56.037 0.937 2
1 981 . 1 1 A 90 90 SER CB C 90 65.027 65.547 -0.520 2
1 982 . 1 1 A 90 90 SER N N 90 114.806 116.817 -2.011 2
1 983 . 1 1 A 91 91 ALA H H 91 8.692 8.944 -0.252 2
1 984 . 1 1 A 91 91 ALA HA H 91 3.505 4.048 -0.543 2
1 988 . 1 1 A 91 91 ALA CA C 91 53.471 54.997 -1.526 2
1 989 . 1 1 A 91 91 ALA CB C 91 18.719 18.493 0.226 2
1 990 . 1 1 A 91 91 ALA N N 91 129.873 129.508 0.365 2
1 991 . 1 1 A 92 92 SER H H 92 9.156 7.949 1.207 2
1 992 . 1 1 A 92 92 SER HA H 92 3.804 4.616 -0.812 2
1 995 . 1 1 A 92 92 SER CA C 92 60.827 57.626 3.201 2
1 996 . 1 1 A 92 92 SER CB C 92 62.630 64.511 -1.881 2
1 997 . 1 1 A 92 92 SER N N 92 113.297 109.836 3.461 2
1 998 . 1 1 A 93 93 THR H H 93 7.806 7.613 0.193 2
1 999 . 1 1 A 93 93 THR HA H 93 4.387 4.394 -0.007 2
1 1004 . 1 1 A 93 93 THR CA C 93 64.607 63.326 1.281 2
1 1005 . 1 1 A 93 93 THR CB C 93 71.127 69.924 1.203 2
1 1007 . 1 1 A 93 93 THR N N 93 113.896 114.449 -0.553 2
1 1008 . 1 1 A 94 94 THR H H 94 7.691 7.433 0.258 2
1 1009 . 1 1 A 94 94 THR HA H 94 3.899 4.671 -0.772 2
1 1014 . 1 1 A 94 94 THR CA C 94 65.258 62.019 3.239 2
1 1015 . 1 1 A 94 94 THR CB C 94 70.283 71.286 -1.003 2
1 1017 . 1 1 A 94 94 THR N N 94 119.603 112.973 6.630 2
1 1018 . 1 1 A 95 95 GLU H H 95 8.389 8.423 -0.034 2
1 1019 . 1 1 A 95 95 GLU HA H 95 3.793 4.368 -0.575 2
1 1024 . 1 1 A 95 95 GLU CA C 95 56.783 56.555 0.228 2
1 1025 . 1 1 A 95 95 GLU CB C 95 29.777 29.744 0.033 2
1 1027 . 1 1 A 95 95 GLU N N 95 124.816 121.927 2.889 2
1 1028 . 1 1 A 96 96 LEU H H 96 8.735 8.488 0.247 2
1 1029 . 1 1 A 96 96 LEU HA H 96 4.249 4.232 0.017 2
1 1039 . 1 1 A 96 96 LEU CA C 96 57.071 55.795 1.276 2
1 1040 . 1 1 A 96 96 LEU CB C 96 43.517 42.150 1.367 2
1 1044 . 1 1 A 96 96 LEU N N 96 120.104 125.971 -5.867 2
1 1045 . 1 1 A 97 97 VAL H H 97 7.049 7.308 -0.259 2
1 1046 . 1 1 A 97 97 VAL HA H 97 4.334 4.357 -0.023 2
1 1054 . 1 1 A 97 97 VAL CA C 97 61.411 60.940 0.471 2
1 1055 . 1 1 A 97 97 VAL CB C 97 31.724 34.234 -2.510 2
1 1058 . 1 1 A 97 97 VAL N N 97 112.399 114.286 -1.887 2
1 1059 . 1 1 A 98 98 ARG H H 98 8.968 8.559 0.409 2
1 1060 . 1 1 A 98 98 ARG HA H 98 5.255 5.211 0.044 2
1 1067 . 1 1 A 98 98 ARG CA C 98 55.391 54.866 0.525 2
1 1068 . 1 1 A 98 98 ARG CB C 98 32.925 32.683 0.242 2
1 1071 . 1 1 A 98 98 ARG N N 98 127.489 122.515 4.974 2
1 1072 . 1 1 A 99 99 VAL H H 99 8.884 8.724 0.160 2
1 1073 . 1 1 A 99 99 VAL HA H 99 4.554 4.860 -0.306 2
1 1078 . 1 1 A 99 99 VAL CA C 99 60.996 61.012 -0.016 2
1 1079 . 1 1 A 99 99 VAL CB C 99 34.358 34.194 0.164 2
1 1081 . 1 1 A 99 99 VAL N N 99 122.863 122.556 0.307 2
1 1082 . 1 1 A 100 100 THR H H 100 8.823 9.212 -0.389 2
1 1083 . 1 1 A 100 100 THR HA H 100 4.552 5.122 -0.570 2
1 1088 . 1 1 A 100 100 THR CA C 100 61.105 60.662 0.443 2
1 1089 . 1 1 A 100 100 THR CB C 100 70.859 71.732 -0.873 2
1 1091 . 1 1 A 100 100 THR N N 100 121.813 121.548 0.265 2
1 1092 . 1 1 A 101 101 ASN H H 101 8.146 8.965 -0.819 2
1 1093 . 1 1 A 101 101 ASN HA H 101 4.505 4.911 -0.406 2
1 1098 . 1 1 A 101 101 ASN CA C 101 54.283 53.508 0.775 2
1 1099 . 1 1 A 101 101 ASN CB C 101 38.631 39.413 -0.782 2
1 1100 . 1 1 A 101 101 ASN N N 101 122.582 127.571 -4.989 2
1 1102 . 1 1 A 102 102 LEU H H 102 8.154 8.571 -0.417 2
1 1103 . 1 1 A 102 102 LEU HA H 102 4.236 4.392 -0.156 2
1 1113 . 1 1 A 102 102 LEU CA C 102 55.618 55.603 0.015 2
1 1114 . 1 1 A 102 102 LEU CB C 102 42.842 42.695 0.147 2
1 1118 . 1 1 A 102 102 LEU N N 102 122.572 124.517 -1.945 2
1 1119 . 1 1 A 103 103 ASN H H 103 8.393 8.374 0.019 2
1 1120 . 1 1 A 103 103 ASN HA H 103 4.862 4.920 -0.058 2
1 1125 . 1 1 A 103 103 ASN CA C 103 51.431 50.934 0.497 2
1 1126 . 1 1 A 103 103 ASN CB C 103 39.172 38.947 0.225 2
1 1127 . 1 1 A 103 103 ASN N N 103 120.155 117.543 2.612 2
1 1129 . 1 1 A 104 104 PRO HA H 104 4.224 4.500 -0.276 2
1 1136 . 1 1 A 104 104 PRO CA C 104 63.636 63.859 -0.223 2
1 1137 . 1 1 A 104 104 PRO CB C 104 32.301 32.323 -0.022 2
1 1140 . 1 1 A 105 105 ILE H H 105 7.870 7.996 -0.126 2
1 1141 . 1 1 A 105 105 ILE HA H 105 3.934 4.012 -0.078 2
1 1151 . 1 1 A 105 105 ILE CA C 105 61.566 61.950 -0.384 2
1 1152 . 1 1 A 105 105 ILE CB C 105 38.723 37.819 0.904 2
1 1156 . 1 1 A 105 105 ILE N N 105 119.425 116.950 2.475 2
1 1157 . 1 1 A 106 106 TYR H H 106 7.945 7.590 0.355 2
1 1158 . 1 1 A 106 106 TYR HA H 106 4.529 4.565 -0.036 2
1 1165 . 1 1 A 106 106 TYR CA C 106 57.548 58.748 -1.200 2
1 1166 . 1 1 A 106 106 TYR CB C 106 39.048 38.747 0.301 2
1 1167 . 1 1 A 106 106 TYR N N 106 123.138 120.922 2.216 2
1 1168 . 1 1 A 107 107 ALA H H 107 8.113 7.826 0.287 2
1 1169 . 1 1 A 107 107 ALA HA H 107 4.213 4.405 -0.192 2
1 1173 . 1 1 A 107 107 ALA CA C 107 52.847 52.151 0.696 2
1 1174 . 1 1 A 107 107 ALA CB C 107 19.450 20.176 -0.726 2
1 1175 . 1 1 A 107 107 ALA N N 107 125.476 121.416 4.060 2
1 1176 . 1 1 A 108 108 ASP H H 108 8.140 8.177 -0.037 2
1 1177 . 1 1 A 108 108 ASP HA H 108 4.502 4.830 -0.328 2
1 1180 . 1 1 A 108 108 ASP CA C 108 54.515 53.983 0.532 2
1 1181 . 1 1 A 108 108 ASP CB C 108 41.436 42.572 -1.136 2
1 1182 . 1 1 A 108 108 ASP N N 108 119.275 118.536 0.739 2
1 1183 . 1 1 A 109 109 GLY H H 109 8.304 8.066 0.238 2
1 1184 . 1 1 A 109 109 GLY HA2 H 109 3.930 4.024 -0.094 2
1 1185 . 1 1 A 109 109 GLY HA3 H 109 3.844 4.088 -0.244 2
1 1186 . 1 1 A 109 109 GLY CA C 109 45.809 45.700 0.109 2
1 1187 . 1 1 A 109 109 GLY N N 109 109.463 109.624 -0.161 2
1 1188 . 1 1 A 110 110 SER H H 110 8.169 8.124 0.045 2
1 1189 . 1 1 A 110 110 SER HA H 110 4.263 4.601 -0.338 2
1 1190 . 1 1 A 110 110 SER CA C 110 59.017 58.416 0.601 2
1 1191 . 1 1 A 110 110 SER N N 110 115.630 114.877 0.753 2
1 1192 . 1 1 A 111 111 HIS HA H 111 4.522 4.659 -0.137 2
1 1195 . 1 1 A 111 111 HIS CA C 111 56.269 55.906 0.363 2
1 1196 . 1 1 A 111 111 HIS CB C 111 30.558 31.062 -0.504 2
1 1197 . 1 1 A 112 112 HIS HA H 112 4.341 4.516 -0.175 2
1 1200 . 1 1 A 112 112 HIS CA C 112 57.660 56.137 1.523 2
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