data_16216_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16216
_Entry.PDB_ID 2KGR
_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 8 . 1 1 1 A 2 2 PRO HA H 2 4.430 4.427 0.003 1
1 15 . 1 1 1 A 2 2 PRO CA C 2 62.800 62.791 0.009 1
1 16 . 1 1 1 A 2 2 PRO CB C 2 31.900 32.492 -0.592 1
1 19 . 1 1 1 A 3 3 VAL H H 3 8.130 8.536 -0.406 1
1 20 . 1 1 1 A 3 3 VAL HA H 3 4.030 3.665 0.365 1
1 28 . 1 1 1 A 3 3 VAL CA C 3 62.200 63.860 -1.660 1
1 29 . 1 1 1 A 3 3 VAL CB C 3 32.700 29.973 2.727 1
1 32 . 1 1 1 A 3 3 VAL N N 3 120.100 116.011 4.089 1
1 33 . 1 1 1 A 4 4 ALA H H 4 8.330 8.125 0.205 1
1 34 . 1 1 1 A 4 4 ALA HA H 4 4.310 4.419 -0.109 1
1 38 . 1 1 1 A 4 4 ALA CA C 4 52.100 51.739 0.361 1
1 39 . 1 1 1 A 4 4 ALA CB C 4 19.400 19.016 0.384 1
1 40 . 1 1 1 A 4 4 ALA N N 4 127.300 121.871 5.429 1
1 41 . 1 1 1 A 5 5 GLU H H 5 8.290 7.879 0.411 1
1 42 . 1 1 1 A 5 5 GLU HA H 5 4.290 4.606 -0.316 1
1 47 . 1 1 1 A 5 5 GLU CA C 5 56.100 55.419 0.681 1
1 48 . 1 1 1 A 5 5 GLU CB C 5 30.500 31.367 -0.867 1
1 50 . 1 1 1 A 5 5 GLU N N 5 121.000 120.057 0.943 1
1 51 . 1 1 1 A 6 6 TRP H H 6 8.670 8.792 -0.122 1
1 52 . 1 1 1 A 6 6 TRP HA H 6 5.020 4.492 0.528 1
1 61 . 1 1 1 A 6 6 TRP CA C 6 54.500 57.985 -3.485 1
1 62 . 1 1 1 A 6 6 TRP CB C 6 30.100 28.178 1.922 1
1 68 . 1 1 1 A 6 6 TRP N N 6 124.900 127.302 -2.402 1
1 70 . 1 1 1 A 7 7 ALA H H 7 7.850 8.938 -1.088 1
1 71 . 1 1 1 A 7 7 ALA HA H 7 3.790 4.149 -0.359 1
1 75 . 1 1 1 A 7 7 ALA CA C 7 53.200 52.909 0.291 1
1 76 . 1 1 1 A 7 7 ALA CB C 7 18.000 18.620 -0.620 1
1 77 . 1 1 1 A 7 7 ALA N N 7 128.000 127.511 0.489 1
1 78 . 1 1 1 A 8 8 VAL H H 8 5.280 7.058 -1.778 1
1 79 . 1 1 1 A 8 8 VAL HA H 8 2.850 4.231 -1.381 1
1 87 . 1 1 1 A 8 8 VAL CA C 8 59.700 59.934 -0.234 1
1 88 . 1 1 1 A 8 8 VAL CB C 8 31.600 32.282 -0.682 1
1 91 . 1 1 1 A 8 8 VAL N N 8 117.000 120.055 -3.055 1
1 92 . 1 1 1 A 9 9 PRO HA H 9 4.340 4.466 -0.126 1
1 99 . 1 1 1 A 9 9 PRO CA C 9 62.800 63.359 -0.559 1
1 100 . 1 1 1 A 9 9 PRO CB C 9 32.400 32.601 -0.201 1
1 103 . 1 1 1 A 10 10 GLN HA H 10 3.710 4.012 -0.302 1
1 110 . 1 1 1 A 10 10 GLN CA C 10 60.100 58.378 1.722 1
1 111 . 1 1 1 A 10 10 GLN CB C 10 28.000 28.176 -0.176 1
1 114 . 1 1 1 A 11 11 SER HA H 11 4.070 4.148 -0.078 1
1 117 . 1 1 1 A 11 11 SER CA C 11 61.400 61.791 -0.391 1
1 118 . 1 1 1 A 11 11 SER CB C 11 61.400 62.959 -1.559 1
1 119 . 1 1 1 A 12 12 SER H H 12 7.070 8.160 -1.090 1
1 120 . 1 1 1 A 12 12 SER HA H 12 3.990 4.038 -0.048 1
1 123 . 1 1 1 A 12 12 SER CA C 12 61.500 61.390 0.110 1
1 124 . 1 1 1 A 12 12 SER CB C 12 61.500 62.779 -1.279 1
1 125 . 1 1 1 A 12 12 SER N N 12 119.300 118.008 1.292 1
1 126 . 1 1 1 A 13 13 ARG H H 13 8.000 8.570 -0.570 1
1 127 . 1 1 1 A 13 13 ARG HA H 13 3.930 4.196 -0.266 1
1 134 . 1 1 1 A 13 13 ARG CA C 13 59.800 58.873 0.927 1
1 135 . 1 1 1 A 13 13 ARG CB C 13 30.300 29.969 0.331 1
1 138 . 1 1 1 A 13 13 ARG N N 13 121.600 120.121 1.479 1
1 139 . 1 1 1 A 14 14 LEU H H 14 7.710 8.177 -0.467 1
1 140 . 1 1 1 A 14 14 LEU HA H 14 4.120 4.062 0.058 1
1 150 . 1 1 1 A 14 14 LEU CA C 14 57.900 57.874 0.026 1
1 151 . 1 1 1 A 14 14 LEU CB C 14 41.900 41.573 0.327 1
1 155 . 1 1 1 A 14 14 LEU N N 14 117.100 120.640 -3.540 1
1 156 . 1 1 1 A 15 15 LYS H H 15 7.450 7.556 -0.106 1
1 157 . 1 1 1 A 15 15 LYS HA H 15 4.050 3.970 0.080 1
1 166 . 1 1 1 A 15 15 LYS CA C 15 59.100 58.703 0.397 1
1 167 . 1 1 1 A 15 15 LYS CB C 15 33.000 31.823 1.177 1
1 171 . 1 1 1 A 15 15 LYS N N 15 118.800 120.851 -2.051 1
1 172 . 1 1 1 A 16 16 TYR H H 16 8.640 7.561 1.079 1
1 173 . 1 1 1 A 16 16 TYR HA H 16 5.130 4.588 0.542 1
1 180 . 1 1 1 A 16 16 TYR CA C 16 58.900 60.817 -1.917 1
1 181 . 1 1 1 A 16 16 TYR CB C 16 37.100 38.167 -1.067 1
1 184 . 1 1 1 A 16 16 TYR N N 16 117.800 118.583 -0.783 1
1 185 . 1 1 1 A 17 17 ARG H H 17 8.470 8.779 -0.309 1
1 186 . 1 1 1 A 17 17 ARG HA H 17 4.230 4.152 0.078 1
1 193 . 1 1 1 A 17 17 ARG CA C 17 59.700 59.175 0.525 1
1 194 . 1 1 1 A 17 17 ARG CB C 17 29.800 29.567 0.233 1
1 197 . 1 1 1 A 17 17 ARG N N 17 124.000 121.623 2.377 1
1 198 . 1 1 1 A 18 18 GLN H H 18 7.740 7.779 -0.039 1
1 199 . 1 1 1 A 18 18 GLN HA H 18 4.190 4.273 -0.083 1
1 206 . 1 1 1 A 18 18 GLN CA C 18 59.300 57.801 1.499 1
1 207 . 1 1 1 A 18 18 GLN CB C 18 27.900 28.977 -1.077 1
1 209 . 1 1 1 A 18 18 GLN N N 18 118.000 116.875 1.125 1
1 211 . 1 1 1 A 19 19 LEU H H 19 7.770 7.995 -0.225 1
1 212 . 1 1 1 A 19 19 LEU HA H 19 4.400 4.665 -0.265 1
1 222 . 1 1 1 A 19 19 LEU CA C 19 58.000 54.062 3.938 1
1 223 . 1 1 1 A 19 19 LEU CB C 19 42.800 43.284 -0.484 1
1 227 . 1 1 1 A 19 19 LEU N N 19 120.500 121.626 -1.126 1
1 228 . 1 1 1 A 20 20 PHE H H 20 8.710 7.545 1.165 1
1 229 . 1 1 1 A 20 20 PHE HA H 20 3.330 3.592 -0.262 1
1 237 . 1 1 1 A 20 20 PHE CA C 20 62.400 62.102 0.298 1
1 238 . 1 1 1 A 20 20 PHE CB C 20 38.500 39.127 -0.627 1
1 242 . 1 1 1 A 20 20 PHE N N 20 121.900 121.595 0.305 1
1 243 . 1 1 1 A 21 21 ASN H H 21 8.770 9.111 -0.341 1
1 244 . 1 1 1 A 21 21 ASN HA H 21 4.380 4.458 -0.078 1
1 249 . 1 1 1 A 21 21 ASN CA C 21 55.400 56.492 -1.092 1
1 250 . 1 1 1 A 21 21 ASN CB C 21 37.600 39.147 -1.547 1
1 251 . 1 1 1 A 21 21 ASN N N 21 117.300 117.646 -0.346 1
1 253 . 1 1 1 A 22 22 SER H H 22 7.900 8.780 -0.880 1
1 254 . 1 1 1 A 22 22 SER HA H 22 4.180 4.227 -0.047 1
1 257 . 1 1 1 A 22 22 SER CA C 22 60.700 60.430 0.270 1
1 258 . 1 1 1 A 22 22 SER CB C 22 62.900 63.086 -0.186 1
1 259 . 1 1 1 A 22 22 SER N N 22 114.800 114.110 0.690 1
1 260 . 1 1 1 A 23 23 HIS H H 23 7.310 8.193 -0.883 1
1 261 . 1 1 1 A 23 23 HIS HA H 23 4.480 4.459 0.021 1
1 266 . 1 1 1 A 23 23 HIS CA C 23 58.000 56.899 1.101 1
1 267 . 1 1 1 A 23 23 HIS CB C 23 32.400 30.095 2.305 1
1 270 . 1 1 1 A 23 23 HIS N N 23 118.900 116.881 2.019 1
1 271 . 1 1 1 A 24 24 ASP H H 24 7.870 7.393 0.477 1
1 272 . 1 1 1 A 24 24 ASP HA H 24 4.850 4.600 0.250 1
1 275 . 1 1 1 A 24 24 ASP CA C 24 52.100 53.283 -1.183 1
1 276 . 1 1 1 A 24 24 ASP CB C 24 38.500 42.279 -3.779 1
1 277 . 1 1 1 A 24 24 ASP N N 24 122.400 121.305 1.095 1
1 278 . 1 1 1 A 25 25 LYS H H 25 7.900 8.319 -0.419 1
1 279 . 1 1 1 A 25 25 LYS HA H 25 4.070 4.420 -0.350 1
1 288 . 1 1 1 A 25 25 LYS CA C 25 58.600 55.588 3.012 1
1 289 . 1 1 1 A 25 25 LYS CB C 25 32.600 31.266 1.334 1
1 293 . 1 1 1 A 25 25 LYS N N 25 122.400 123.355 -0.955 1
1 294 . 1 1 1 A 26 26 THR H H 26 8.120 8.051 0.069 1
1 295 . 1 1 1 A 26 26 THR HA H 26 4.340 4.015 0.325 1
1 300 . 1 1 1 A 26 26 THR CA C 26 61.000 63.012 -2.012 1
1 301 . 1 1 1 A 26 26 THR CB C 26 69.100 66.551 2.549 1
1 303 . 1 1 1 A 26 26 THR N N 26 106.400 112.755 -6.355 1
1 304 . 1 1 1 A 27 27 MET H H 27 8.030 8.294 -0.264 1
1 305 . 1 1 1 A 27 27 MET HA H 27 3.980 4.785 -0.805 1
1 310 . 1 1 1 A 27 27 MET CA C 27 56.600 56.340 0.260 1
1 311 . 1 1 1 A 27 27 MET CB C 27 29.100 35.810 -6.710 1
1 313 . 1 1 1 A 27 27 MET N N 27 119.600 121.347 -1.747 1
1 314 . 1 1 1 A 28 28 SER H H 28 9.520 7.977 1.543 1
1 315 . 1 1 1 A 28 28 SER HA H 28 4.250 4.212 0.038 1
1 318 . 1 1 1 A 28 28 SER CA C 28 60.500 60.305 0.195 1
1 319 . 1 1 1 A 28 28 SER CB C 28 64.400 63.173 1.227 1
1 320 . 1 1 1 A 28 28 SER N N 28 118.600 113.609 4.991 1
1 321 . 1 1 1 A 29 29 GLY H H 29 10.710 9.210 1.500 1
1 322 . 1 1 1 A 29 29 GLY HA2 H 29 4.380 3.905 0.475 1
1 323 . 1 1 1 A 29 29 GLY HA3 H 29 3.690 4.046 -0.356 1
1 324 . 1 1 1 A 29 29 GLY CA C 29 45.200 45.580 -0.380 1
1 325 . 1 1 1 A 29 29 GLY N N 29 113.800 108.505 5.295 1
1 326 . 1 1 1 A 30 30 HIS H H 30 7.870 7.428 0.442 1
1 327 . 1 1 1 A 30 30 HIS HA H 30 5.520 5.197 0.323 1
1 332 . 1 1 1 A 30 30 HIS CA C 30 55.800 54.795 1.005 1
1 333 . 1 1 1 A 30 30 HIS CB C 30 32.800 31.103 1.697 1
1 336 . 1 1 1 A 30 30 HIS N N 30 115.700 114.510 1.190 1
1 337 . 1 1 1 A 31 31 LEU H H 31 9.140 9.885 -0.745 1
1 338 . 1 1 1 A 31 31 LEU HA H 31 4.840 5.045 -0.205 1
1 348 . 1 1 1 A 31 31 LEU CA C 31 52.900 53.553 -0.653 1
1 349 . 1 1 1 A 31 31 LEU CB C 31 44.200 44.155 0.045 1
1 353 . 1 1 1 A 31 31 LEU N N 31 117.200 121.159 -3.959 1
1 354 . 1 1 1 A 32 32 THR H H 32 8.680 9.119 -0.439 1
1 355 . 1 1 1 A 32 32 THR HA H 32 4.340 4.642 -0.302 1
1 360 . 1 1 1 A 32 32 THR CA C 32 61.500 62.237 -0.737 1
1 361 . 1 1 1 A 32 32 THR CB C 32 70.200 69.786 0.414 1
1 363 . 1 1 1 A 32 32 THR N N 32 113.400 119.633 -6.233 1
1 364 . 1 1 1 A 33 33 GLY H H 33 9.090 8.767 0.323 1
1 365 . 1 1 1 A 33 33 GLY HA2 H 33 3.970 3.913 0.057 1
1 366 . 1 1 1 A 33 33 GLY HA3 H 33 4.070 4.185 -0.115 1
1 367 . 1 1 1 A 33 33 GLY CA C 33 49.300 48.419 0.881 1
1 368 . 1 1 1 A 33 33 GLY N N 33 108.000 112.456 -4.456 1
1 369 . 1 1 1 A 34 34 PRO HA H 34 4.110 4.182 -0.072 1
1 376 . 1 1 1 A 34 34 PRO CA C 34 65.400 65.605 -0.205 1
1 377 . 1 1 1 A 34 34 PRO CB C 34 32.200 30.900 1.300 1
1 380 . 1 1 1 A 35 35 GLN H H 35 7.240 8.231 -0.991 1
1 381 . 1 1 1 A 35 35 GLN HA H 35 4.040 4.079 -0.039 1
1 388 . 1 1 1 A 35 35 GLN CA C 35 58.200 59.334 -1.134 1
1 389 . 1 1 1 A 35 35 GLN CB C 35 29.800 28.439 1.361 1
1 391 . 1 1 1 A 35 35 GLN N N 35 116.700 117.471 -0.771 1
1 393 . 1 1 1 A 36 36 ALA H H 36 9.180 8.661 0.519 1
1 394 . 1 1 1 A 36 36 ALA HA H 36 4.080 4.359 -0.279 1
1 398 . 1 1 1 A 36 36 ALA CA C 36 54.900 55.453 -0.553 1
1 399 . 1 1 1 A 36 36 ALA CB C 36 18.900 18.422 0.478 1
1 400 . 1 1 1 A 36 36 ALA N N 36 120.000 122.319 -2.319 1
1 401 . 1 1 1 A 37 37 ARG H H 37 9.060 8.629 0.431 1
1 402 . 1 1 1 A 37 37 ARG HA H 37 3.860 3.993 -0.133 1
1 409 . 1 1 1 A 37 37 ARG CA C 37 61.000 59.495 1.505 1
1 410 . 1 1 1 A 37 37 ARG CB C 37 29.900 29.852 0.048 1
1 413 . 1 1 1 A 37 37 ARG N N 37 117.200 117.320 -0.120 1
1 414 . 1 1 1 A 38 38 THR H H 38 7.620 8.171 -0.551 1
1 415 . 1 1 1 A 38 38 THR HA H 38 3.920 3.984 -0.064 1
1 420 . 1 1 1 A 38 38 THR CA C 38 66.900 67.084 -0.184 1
1 421 . 1 1 1 A 38 38 THR CB C 38 68.800 68.363 0.437 1
1 423 . 1 1 1 A 38 38 THR N N 38 114.600 118.265 -3.665 1
1 424 . 1 1 1 A 39 39 ILE H H 39 7.180 7.637 -0.457 1
1 425 . 1 1 1 A 39 39 ILE HA H 39 3.730 3.749 -0.019 1
1 435 . 1 1 1 A 39 39 ILE CA C 39 64.900 64.169 0.731 1
1 436 . 1 1 1 A 39 39 ILE CB C 39 39.000 37.214 1.786 1
1 440 . 1 1 1 A 39 39 ILE N N 39 121.500 121.309 0.191 1
1 441 . 1 1 1 A 40 40 LEU H H 40 8.480 8.242 0.238 1
1 442 . 1 1 1 A 40 40 LEU HA H 40 3.870 3.954 -0.084 1
1 452 . 1 1 1 A 40 40 LEU CA C 40 58.500 57.993 0.507 1
1 453 . 1 1 1 A 40 40 LEU CB C 40 40.800 41.042 -0.242 1
1 457 . 1 1 1 A 40 40 LEU N N 40 119.900 120.612 -0.712 1
1 458 . 1 1 1 A 41 41 MET H H 41 8.160 8.360 -0.200 1
1 459 . 1 1 1 A 41 41 MET HA H 41 4.200 4.099 0.101 1
1 464 . 1 1 1 A 41 41 MET CA C 41 57.700 58.583 -0.883 1
1 465 . 1 1 1 A 41 41 MET CB C 41 32.500 31.662 0.838 1
1 467 . 1 1 1 A 41 41 MET N N 41 115.300 117.501 -2.201 1
1 468 . 1 1 1 A 42 42 GLN H H 42 7.600 7.912 -0.312 1
1 469 . 1 1 1 A 42 42 GLN HA H 42 4.230 4.215 0.015 1
1 476 . 1 1 1 A 42 42 GLN CA C 42 57.200 57.608 -0.408 1
1 477 . 1 1 1 A 42 42 GLN CB C 42 27.900 28.115 -0.215 1
1 479 . 1 1 1 A 42 42 GLN N N 42 118.900 118.858 0.042 1
1 481 . 1 1 1 A 43 43 SER H H 43 7.670 7.542 0.128 1
1 482 . 1 1 1 A 43 43 SER HA H 43 4.300 4.387 -0.087 1
1 485 . 1 1 1 A 43 43 SER CA C 43 59.800 59.109 0.691 1
1 486 . 1 1 1 A 43 43 SER CB C 43 65.200 64.474 0.726 1
1 487 . 1 1 1 A 43 43 SER N N 43 113.900 113.910 -0.010 1
1 488 . 1 1 1 A 44 44 SER H H 44 8.040 8.013 0.027 1
1 489 . 1 1 1 A 44 44 SER HA H 44 4.300 4.072 0.228 1
1 492 . 1 1 1 A 44 44 SER CA C 44 59.400 59.428 -0.028 1
1 493 . 1 1 1 A 44 44 SER CB C 44 62.500 62.352 0.148 1
1 494 . 1 1 1 A 44 44 SER N N 44 113.500 115.913 -2.413 1
1 495 . 1 1 1 A 45 45 LEU H H 45 7.430 7.613 -0.183 1
1 496 . 1 1 1 A 45 45 LEU HA H 45 4.470 4.427 0.043 1
1 506 . 1 1 1 A 45 45 LEU CA C 45 53.300 53.007 0.293 1
1 507 . 1 1 1 A 45 45 LEU CB C 45 41.700 40.789 0.911 1
1 511 . 1 1 1 A 45 45 LEU N N 45 121.900 121.850 0.050 1
1 512 . 1 1 1 A 46 46 PRO HA H 46 4.460 4.589 -0.129 1
1 519 . 1 1 1 A 46 46 PRO CA C 46 62.500 62.788 -0.288 1
1 520 . 1 1 1 A 46 46 PRO CB C 46 32.500 32.233 0.267 1
1 523 . 1 1 1 A 47 47 GLN H H 47 8.820 9.006 -0.186 1
1 524 . 1 1 1 A 47 47 GLN HA H 47 3.870 3.959 -0.089 1
1 531 . 1 1 1 A 47 47 GLN CA C 47 59.600 59.106 0.494 1
1 532 . 1 1 1 A 47 47 GLN CB C 47 28.100 28.392 -0.292 1
1 534 . 1 1 1 A 47 47 GLN N N 47 123.400 123.831 -0.431 1
1 536 . 1 1 1 A 48 48 ALA H H 48 9.000 8.340 0.660 1
1 537 . 1 1 1 A 48 48 ALA HA H 48 4.150 4.076 0.074 1
1 541 . 1 1 1 A 48 48 ALA CA C 48 55.200 55.201 -0.001 1
1 542 . 1 1 1 A 48 48 ALA CB C 48 18.200 18.348 -0.148 1
1 543 . 1 1 1 A 48 48 ALA N N 48 119.800 122.087 -2.287 1
1 544 . 1 1 1 A 49 49 GLN H H 49 7.190 8.146 -0.956 1
1 545 . 1 1 1 A 49 49 GLN HA H 49 4.230 4.069 0.161 1
1 552 . 1 1 1 A 49 49 GLN CA C 49 58.600 58.719 -0.119 1
1 553 . 1 1 1 A 49 49 GLN CB C 49 29.400 28.247 1.153 1
1 555 . 1 1 1 A 49 49 GLN N N 49 115.800 117.248 -1.448 1
1 557 . 1 1 1 A 50 50 LEU H H 50 7.800 8.286 -0.486 1
1 558 . 1 1 1 A 50 50 LEU HA H 50 3.930 3.937 -0.007 1
1 568 . 1 1 1 A 50 50 LEU CA C 50 57.900 57.885 0.015 1
1 569 . 1 1 1 A 50 50 LEU CB C 50 41.100 41.582 -0.482 1
1 573 . 1 1 1 A 50 50 LEU N N 50 119.800 120.783 -0.983 1
1 574 . 1 1 1 A 51 51 ALA H H 51 8.410 8.880 -0.470 1
1 575 . 1 1 1 A 51 51 ALA HA H 51 4.210 4.077 0.133 1
1 579 . 1 1 1 A 51 51 ALA CA C 51 55.100 55.303 -0.203 1
1 580 . 1 1 1 A 51 51 ALA CB C 51 17.500 18.058 -0.558 1
1 581 . 1 1 1 A 51 51 ALA N N 51 122.600 122.139 0.461 1
1 582 . 1 1 1 A 52 52 SER H H 52 7.530 7.808 -0.278 1
1 583 . 1 1 1 A 52 52 SER HA H 52 4.310 4.121 0.189 1
1 586 . 1 1 1 A 52 52 SER CA C 52 62.200 62.303 -0.103 1
1 587 . 1 1 1 A 52 52 SER CB C 52 62.600 63.245 -0.645 1
1 588 . 1 1 1 A 52 52 SER N N 52 115.300 113.773 1.527 1
1 589 . 1 1 1 A 53 53 ILE H H 53 8.270 8.516 -0.246 1
1 590 . 1 1 1 A 53 53 ILE HA H 53 3.430 3.686 -0.256 1
1 600 . 1 1 1 A 53 53 ILE CA C 53 66.300 65.216 1.084 1
1 601 . 1 1 1 A 53 53 ILE CB C 53 37.900 37.653 0.247 1
1 605 . 1 1 1 A 53 53 ILE N N 53 122.000 120.623 1.377 1
1 606 . 1 1 1 A 54 54 TRP H H 54 8.480 8.418 0.062 1
1 607 . 1 1 1 A 54 54 TRP HA H 54 3.720 4.098 -0.378 1
1 616 . 1 1 1 A 54 54 TRP CA C 54 61.400 60.740 0.660 1
1 617 . 1 1 1 A 54 54 TRP CB C 54 28.100 29.393 -1.293 1
1 623 . 1 1 1 A 54 54 TRP N N 54 122.100 122.080 0.020 1
1 625 . 1 1 1 A 55 55 ASN H H 55 7.860 8.536 -0.676 1
1 626 . 1 1 1 A 55 55 ASN HA H 55 4.350 4.481 -0.131 1
1 631 . 1 1 1 A 55 55 ASN CA C 55 55.900 56.447 -0.547 1
1 632 . 1 1 1 A 55 55 ASN CB C 55 38.500 40.018 -1.518 1
1 633 . 1 1 1 A 55 55 ASN N N 55 113.900 117.949 -4.049 1
1 635 . 1 1 1 A 56 56 LEU H H 56 8.020 8.142 -0.122 1
1 636 . 1 1 1 A 56 56 LEU HA H 56 3.990 4.104 -0.114 1
1 646 . 1 1 1 A 56 56 LEU CA C 56 56.700 57.810 -1.110 1
1 647 . 1 1 1 A 56 56 LEU CB C 56 43.900 41.337 2.563 1
1 651 . 1 1 1 A 56 56 LEU N N 56 117.500 119.868 -2.368 1
1 652 . 1 1 1 A 57 57 SER H H 57 7.280 8.152 -0.872 1
1 653 . 1 1 1 A 57 57 SER HA H 57 4.290 4.078 0.212 1
1 656 . 1 1 1 A 57 57 SER CA C 57 61.100 61.181 -0.081 1
1 657 . 1 1 1 A 57 57 SER CB C 57 64.000 62.859 1.141 1
1 658 . 1 1 1 A 57 57 SER N N 57 111.100 113.955 -2.855 1
1 659 . 1 1 1 A 58 58 ASP H H 58 7.030 7.544 -0.514 1
1 660 . 1 1 1 A 58 58 ASP HA H 58 4.650 4.270 0.380 1
1 663 . 1 1 1 A 58 58 ASP CA C 58 51.400 53.779 -2.379 1
1 664 . 1 1 1 A 58 58 ASP CB C 58 37.200 40.500 -3.300 1
1 665 . 1 1 1 A 58 58 ASP N N 58 115.600 119.292 -3.692 1
1 666 . 1 1 1 A 59 59 ILE H H 59 8.630 7.809 0.821 1
1 667 . 1 1 1 A 59 59 ILE HA H 59 3.260 3.902 -0.642 1
1 677 . 1 1 1 A 59 59 ILE CA C 59 62.900 63.993 -1.093 1
1 678 . 1 1 1 A 59 59 ILE CB C 59 36.600 37.885 -1.285 1
1 682 . 1 1 1 A 59 59 ILE N N 59 128.500 125.461 3.039 1
1 683 . 1 1 1 A 60 60 ASP H H 60 7.960 7.309 0.651 1
1 684 . 1 1 1 A 60 60 ASP HA H 60 4.480 4.677 -0.197 1
1 687 . 1 1 1 A 60 60 ASP CA C 60 52.300 52.802 -0.502 1
1 688 . 1 1 1 A 60 60 ASP CB C 60 39.100 40.269 -1.169 1
1 689 . 1 1 1 A 60 60 ASP N N 60 113.200 117.444 -4.244 1
1 690 . 1 1 1 A 61 61 GLN H H 61 7.550 7.768 -0.218 1
1 691 . 1 1 1 A 61 61 GLN HA H 61 3.800 3.921 -0.121 1
1 698 . 1 1 1 A 61 61 GLN CA C 61 57.100 56.931 0.169 1
1 699 . 1 1 1 A 61 61 GLN CB C 61 26.400 26.728 -0.328 1
1 701 . 1 1 1 A 61 61 GLN N N 61 113.800 114.796 -0.996 1
1 703 . 1 1 1 A 62 62 ASP H H 62 8.390 8.089 0.301 1
1 704 . 1 1 1 A 62 62 ASP HA H 62 4.720 4.665 0.055 1
1 707 . 1 1 1 A 62 62 ASP CA C 62 52.800 54.835 -2.035 1
1 708 . 1 1 1 A 62 62 ASP CB C 62 41.000 42.545 -1.545 1
1 709 . 1 1 1 A 62 62 ASP N N 62 117.700 119.225 -1.525 1
1 710 . 1 1 1 A 63 63 GLY H H 63 10.840 8.772 2.068 1
1 711 . 1 1 1 A 63 63 GLY HA2 H 63 4.310 4.165 0.145 1
1 712 . 1 1 1 A 63 63 GLY HA3 H 63 3.880 4.444 -0.564 1
1 713 . 1 1 1 A 63 63 GLY CA C 63 46.200 45.717 0.483 1
1 714 . 1 1 1 A 63 63 GLY N N 63 114.200 107.114 7.086 1
1 715 . 1 1 1 A 64 64 LYS H H 64 8.070 7.842 0.228 1
1 716 . 1 1 1 A 64 64 LYS HA H 64 5.030 5.038 -0.008 1
1 725 . 1 1 1 A 64 64 LYS CA C 64 54.200 54.415 -0.215 1
1 726 . 1 1 1 A 64 64 LYS CB C 64 36.100 35.569 0.531 1
1 730 . 1 1 1 A 64 64 LYS N N 64 117.400 120.212 -2.812 1
1 731 . 1 1 1 A 65 65 LEU H H 65 8.990 9.532 -0.542 1
1 732 . 1 1 1 A 65 65 LEU HA H 65 5.750 4.940 0.810 1
1 742 . 1 1 1 A 65 65 LEU CA C 65 52.900 53.649 -0.749 1
1 743 . 1 1 1 A 65 65 LEU CB C 65 43.600 43.192 0.408 1
1 747 . 1 1 1 A 65 65 LEU N N 65 120.700 125.202 -4.502 1
1 748 . 1 1 1 A 66 66 THR H H 66 10.210 8.880 1.330 1
1 749 . 1 1 1 A 66 66 THR HA H 66 4.910 4.728 0.182 1
1 754 . 1 1 1 A 66 66 THR CA C 66 60.900 60.923 -0.023 1
1 755 . 1 1 1 A 66 66 THR CB C 66 71.200 71.192 0.008 1
1 757 . 1 1 1 A 66 66 THR N N 66 116.300 117.902 -1.602 1
1 758 . 1 1 1 A 67 67 ALA H H 67 8.350 8.516 -0.166 1
1 759 . 1 1 1 A 67 67 ALA HA H 67 2.620 3.479 -0.859 1
1 763 . 1 1 1 A 67 67 ALA CA C 67 56.200 54.849 1.351 1
1 764 . 1 1 1 A 67 67 ALA CB C 67 18.000 17.487 0.513 1
1 765 . 1 1 1 A 67 67 ALA N N 67 122.000 123.574 -1.574 1
1 766 . 1 1 1 A 68 68 GLU H H 68 8.160 7.941 0.219 1
1 767 . 1 1 1 A 68 68 GLU HA H 68 4.180 4.175 0.005 1
1 772 . 1 1 1 A 68 68 GLU CA C 68 60.500 59.617 0.883 1
1 773 . 1 1 1 A 68 68 GLU CB C 68 30.500 29.604 0.896 1
1 775 . 1 1 1 A 68 68 GLU N N 68 112.200 117.876 -5.676 1
1 776 . 1 1 1 A 69 69 GLU H H 69 7.280 7.690 -0.410 1
1 777 . 1 1 1 A 69 69 GLU HA H 69 4.030 4.024 0.006 1
1 782 . 1 1 1 A 69 69 GLU CA C 69 60.100 58.899 1.201 1
1 783 . 1 1 1 A 69 69 GLU CB C 69 31.800 29.408 2.392 1
1 785 . 1 1 1 A 69 69 GLU N N 69 117.400 120.170 -2.770 1
1 786 . 1 1 1 A 70 70 PHE H H 70 8.940 8.363 0.577 1
1 787 . 1 1 1 A 70 70 PHE HA H 70 4.130 4.167 -0.037 1
1 795 . 1 1 1 A 70 70 PHE CA C 70 61.900 61.300 0.600 1
1 796 . 1 1 1 A 70 70 PHE CB C 70 39.900 39.489 0.411 1
1 800 . 1 1 1 A 70 70 PHE N N 70 119.000 121.557 -2.557 1
1 801 . 1 1 1 A 71 71 ILE H H 71 8.890 8.548 0.342 1
1 802 . 1 1 1 A 71 71 ILE HA H 71 3.380 3.637 -0.257 1
1 812 . 1 1 1 A 71 71 ILE CA C 71 65.800 65.505 0.295 1
1 813 . 1 1 1 A 71 71 ILE CB C 71 39.100 37.718 1.382 1
1 817 . 1 1 1 A 71 71 ILE N N 71 119.800 121.033 -1.233 1
1 818 . 1 1 1 A 72 72 LEU H H 72 7.810 8.240 -0.430 1
1 819 . 1 1 1 A 72 72 LEU HA H 72 4.040 3.997 0.043 1
1 829 . 1 1 1 A 72 72 LEU CA C 72 58.300 58.095 0.205 1
1 830 . 1 1 1 A 72 72 LEU CB C 72 42.600 41.706 0.894 1
1 834 . 1 1 1 A 72 72 LEU N N 72 118.100 121.311 -3.211 1
1 835 . 1 1 1 A 73 73 ALA H H 73 8.340 8.436 -0.096 1
1 836 . 1 1 1 A 73 73 ALA HA H 73 3.820 3.976 -0.156 1
1 840 . 1 1 1 A 73 73 ALA CA C 73 55.600 55.316 0.284 1
1 841 . 1 1 1 A 73 73 ALA CB C 73 17.600 18.333 -0.733 1
1 842 . 1 1 1 A 73 73 ALA N N 73 122.000 120.837 1.163 1
1 843 . 1 1 1 A 74 74 MET H H 74 7.840 8.082 -0.242 1
1 844 . 1 1 1 A 74 74 MET HA H 74 3.830 3.892 -0.062 1
1 852 . 1 1 1 A 74 74 MET CA C 74 55.400 58.051 -2.651 1
1 853 . 1 1 1 A 74 74 MET CB C 74 27.800 31.236 -3.436 1
1 856 . 1 1 1 A 74 74 MET N N 74 113.400 116.697 -3.297 1
1 857 . 1 1 1 A 75 75 HIS H H 75 8.340 7.575 0.765 1
1 858 . 1 1 1 A 75 75 HIS HA H 75 4.510 4.071 0.439 1
1 863 . 1 1 1 A 75 75 HIS CA C 75 60.000 59.192 0.808 1
1 864 . 1 1 1 A 75 75 HIS CB C 75 31.400 29.380 2.020 1
1 867 . 1 1 1 A 75 75 HIS N N 75 120.200 120.795 -0.595 1
1 868 . 1 1 1 A 76 76 LEU H H 76 8.750 7.959 0.791 1
1 869 . 1 1 1 A 76 76 LEU HA H 76 3.670 3.653 0.017 1
1 879 . 1 1 1 A 76 76 LEU CA C 76 57.700 57.595 0.105 1
1 880 . 1 1 1 A 76 76 LEU CB C 76 41.400 41.216 0.184 1
1 884 . 1 1 1 A 76 76 LEU N N 76 118.600 118.988 -0.388 1
1 885 . 1 1 1 A 77 77 ILE H H 77 7.980 7.997 -0.017 1
1 886 . 1 1 1 A 77 77 ILE HA H 77 3.470 3.437 0.033 1
1 896 . 1 1 1 A 77 77 ILE CA C 77 66.000 64.806 1.194 1
1 897 . 1 1 1 A 77 77 ILE CB C 77 36.500 37.501 -1.001 1
1 901 . 1 1 1 A 77 77 ILE N N 77 120.900 119.816 1.084 1
1 902 . 1 1 1 A 78 78 ASP H H 78 7.490 8.150 -0.660 1
1 903 . 1 1 1 A 78 78 ASP HA H 78 4.300 4.258 0.042 1
1 906 . 1 1 1 A 78 78 ASP CA C 78 57.900 57.486 0.414 1
1 907 . 1 1 1 A 78 78 ASP CB C 78 39.000 40.709 -1.709 1
1 908 . 1 1 1 A 78 78 ASP N N 78 121.500 120.898 0.602 1
1 909 . 1 1 1 A 79 79 VAL H H 79 8.380 7.838 0.542 1
1 910 . 1 1 1 A 79 79 VAL HA H 79 3.390 3.510 -0.120 1
1 918 . 1 1 1 A 79 79 VAL CA C 79 66.400 66.243 0.157 1
1 919 . 1 1 1 A 79 79 VAL CB C 79 31.700 31.355 0.345 1
1 922 . 1 1 1 A 79 79 VAL N N 79 122.400 119.371 3.029 1
1 923 . 1 1 1 A 80 80 ALA H H 80 8.730 8.140 0.590 1
1 924 . 1 1 1 A 80 80 ALA HA H 80 4.360 3.985 0.375 1
1 928 . 1 1 1 A 80 80 ALA CA C 80 54.800 55.440 -0.640 1
1 929 . 1 1 1 A 80 80 ALA CB C 80 18.100 17.655 0.445 1
1 930 . 1 1 1 A 80 80 ALA N N 80 125.200 122.358 2.842 1
1 931 . 1 1 1 A 81 81 MET H H 81 9.360 8.494 0.866 1
1 932 . 1 1 1 A 81 81 MET HA H 81 4.210 4.132 0.078 1
1 940 . 1 1 1 A 81 81 MET CA C 81 57.800 58.578 -0.778 1
1 941 . 1 1 1 A 81 81 MET CB C 81 31.800 33.261 -1.461 1
1 944 . 1 1 1 A 81 81 MET N N 81 119.600 117.216 2.384 1
1 945 . 1 1 1 A 82 82 SER H H 82 7.780 7.996 -0.216 1
1 946 . 1 1 1 A 82 82 SER HA H 82 4.510 4.475 0.035 1
1 949 . 1 1 1 A 82 82 SER CA C 82 59.500 58.378 1.122 1
1 950 . 1 1 1 A 82 82 SER CB C 82 64.000 63.579 0.421 1
1 951 . 1 1 1 A 82 82 SER N N 82 114.000 112.451 1.549 1
1 952 . 1 1 1 A 83 83 GLY H H 83 7.910 8.217 -0.307 1
1 953 . 1 1 1 A 83 83 GLY HA2 H 83 3.700 3.890 -0.190 1
1 954 . 1 1 1 A 83 83 GLY HA3 H 83 4.350 3.894 0.456 1
1 955 . 1 1 1 A 83 83 GLY CA C 83 44.900 45.800 -0.900 1
1 956 . 1 1 1 A 83 83 GLY N N 83 109.400 109.731 -0.331 1
1 957 . 1 1 1 A 84 84 GLN H H 84 7.100 7.986 -0.886 1
1 958 . 1 1 1 A 84 84 GLN HA H 84 4.530 4.729 -0.199 1
1 965 . 1 1 1 A 84 84 GLN CA C 84 53.100 52.541 0.559 1
1 966 . 1 1 1 A 84 84 GLN CB C 84 29.000 29.633 -0.633 1
1 968 . 1 1 1 A 84 84 GLN N N 84 120.700 120.280 0.420 1
1 970 . 1 1 1 A 85 85 PRO HA H 85 4.360 4.500 -0.140 1
1 977 . 1 1 1 A 85 85 PRO CA C 85 61.800 62.822 -1.022 1
1 978 . 1 1 1 A 85 85 PRO CB C 85 31.800 32.215 -0.415 1
1 981 . 1 1 1 A 86 86 LEU H H 86 8.360 8.370 -0.010 1
1 982 . 1 1 1 A 86 86 LEU HA H 86 4.380 4.547 -0.167 1
1 992 . 1 1 1 A 86 86 LEU CA C 86 51.600 52.840 -1.240 1
1 993 . 1 1 1 A 86 86 LEU CB C 86 41.000 41.165 -0.165 1
1 997 . 1 1 1 A 86 86 LEU N N 86 121.700 124.117 -2.417 1
1 998 . 1 1 1 A 87 87 PRO HA H 87 4.740 4.685 0.055 1
1 1005 . 1 1 1 A 87 87 PRO CA C 87 60.800 61.639 -0.839 1
1 1006 . 1 1 1 A 87 87 PRO CB C 87 30.900 32.187 -1.287 1
1 1009 . 1 1 1 A 88 88 PRO HA H 88 4.330 4.419 -0.089 1
1 1016 . 1 1 1 A 88 88 PRO CA C 88 63.900 64.661 -0.761 1
1 1017 . 1 1 1 A 88 88 PRO CB C 88 31.700 32.212 -0.512 1
1 1020 . 1 1 1 A 89 89 VAL H H 89 6.840 7.648 -0.808 1
1 1021 . 1 1 1 A 89 89 VAL HA H 89 4.030 4.801 -0.771 1
1 1029 . 1 1 1 A 89 89 VAL CA C 89 59.300 60.327 -1.027 1
1 1030 . 1 1 1 A 89 89 VAL CB C 89 35.500 35.849 -0.349 1
1 1033 . 1 1 1 A 89 89 VAL N N 89 112.700 117.546 -4.846 1
1 1034 . 1 1 1 A 90 90 LEU H H 90 8.990 8.437 0.553 1
1 1035 . 1 1 1 A 90 90 LEU HA H 90 4.150 4.792 -0.642 1
1 1045 . 1 1 1 A 90 90 LEU CA C 90 53.500 52.724 0.776 1
1 1046 . 1 1 1 A 90 90 LEU CB C 90 42.200 43.482 -1.282 1
1 1050 . 1 1 1 A 90 90 LEU N N 90 127.800 127.934 -0.134 1
1 1051 . 1 1 1 A 91 91 PRO HA H 91 4.830 4.770 0.060 1
1 1058 . 1 1 1 A 91 91 PRO CA C 91 61.100 61.542 -0.442 1
1 1059 . 1 1 1 A 91 91 PRO CB C 91 31.300 32.156 -0.856 1
1 1062 . 1 1 1 A 92 92 PRO HA H 92 4.230 4.242 -0.012 1
1 1069 . 1 1 1 A 92 92 PRO CA C 92 65.100 65.205 -0.105 1
1 1070 . 1 1 1 A 92 92 PRO CB C 92 31.800 31.949 -0.149 1
1 1073 . 1 1 1 A 93 93 GLU H H 93 10.180 8.764 1.416 1
1 1074 . 1 1 1 A 93 93 GLU HA H 93 4.300 4.048 0.252 1
1 1079 . 1 1 1 A 93 93 GLU CA C 93 58.700 59.139 -0.439 1
1 1080 . 1 1 1 A 93 93 GLU CB C 93 27.500 29.122 -1.622 1
1 1082 . 1 1 1 A 93 93 GLU N N 93 116.400 117.536 -1.136 1
1 1083 . 1 1 1 A 94 94 TYR H H 94 8.510 8.071 0.439 1
1 1084 . 1 1 1 A 94 94 TYR HA H 94 4.510 5.130 -0.620 1
1 1091 . 1 1 1 A 94 94 TYR CA C 94 60.100 57.431 2.669 1
1 1092 . 1 1 1 A 94 94 TYR CB C 94 39.600 38.960 0.640 1
1 1095 . 1 1 1 A 94 94 TYR N N 94 119.400 114.597 4.803 1
1 1096 . 1 1 1 A 95 95 ILE H H 95 7.800 7.610 0.190 1
1 1097 . 1 1 1 A 95 95 ILE HA H 95 3.940 4.378 -0.438 1
1 1107 . 1 1 1 A 95 95 ILE CA C 95 60.200 57.900 2.300 1
1 1108 . 1 1 1 A 95 95 ILE CB C 95 37.800 38.310 -0.510 1
1 1112 . 1 1 1 A 95 95 ILE N N 95 124.500 121.985 2.515 1
1 1113 . 1 1 1 A 96 96 PRO HA H 96 2.770 4.091 -1.321 1
1 1120 . 1 1 1 A 96 96 PRO CA C 96 60.700 61.247 -0.547 1
1 1121 . 1 1 1 A 96 96 PRO CB C 96 31.400 31.317 0.083 1
1 1124 . 1 1 1 A 97 97 PRO HA H 97 3.680 4.115 -0.435 1
1 1131 . 1 1 1 A 97 97 PRO CA C 97 65.900 63.547 2.353 1
1 1132 . 1 1 1 A 97 97 PRO CB C 97 32.100 32.108 -0.008 1
1 1135 . 1 1 1 A 98 98 SER H H 98 9.160 8.571 0.589 1
1 1136 . 1 1 1 A 98 98 SER HA H 98 3.980 3.938 0.042 1
1 1139 . 1 1 1 A 98 98 SER CA C 98 60.900 60.500 0.400 1
1 1140 . 1 1 1 A 98 98 SER CB C 98 62.200 60.702 1.498 1
1 1141 . 1 1 1 A 98 98 SER N N 98 112.400 111.680 0.720 1
1 1142 . 1 1 1 A 99 99 PHE H H 99 7.950 8.123 -0.173 1
1 1143 . 1 1 1 A 99 99 PHE HA H 99 4.470 4.430 0.040 1
1 1151 . 1 1 1 A 99 99 PHE CA C 99 58.500 59.135 -0.635 1
1 1152 . 1 1 1 A 99 99 PHE CB C 99 40.100 38.029 2.071 1
1 1156 . 1 1 1 A 99 99 PHE N N 99 118.800 117.942 0.858 1
1 1157 . 1 1 1 A 100 100 ARG H H 100 7.350 7.787 -0.437 1
1 1158 . 1 1 1 A 100 100 ARG HA H 100 4.270 4.325 -0.055 1
1 1165 . 1 1 1 A 100 100 ARG CA C 100 56.600 56.734 -0.134 1
1 1166 . 1 1 1 A 100 100 ARG CB C 100 30.300 30.652 -0.352 1
1 1169 . 1 1 1 A 100 100 ARG N N 100 120.200 117.365 2.835 1
1 1170 . 1 1 1 A 101 101 ARG H H 101 8.180 7.652 0.528 1
1 1171 . 1 1 1 A 101 101 ARG HA H 101 4.270 4.900 -0.630 1
1 1177 . 1 1 1 A 101 101 ARG CA C 101 56.700 55.571 1.129 1
1 1178 . 1 1 1 A 101 101 ARG CB C 101 30.700 33.501 -2.801 1
1 1181 . 1 1 1 A 101 101 ARG N N 101 121.100 120.127 0.973 1
1 1182 . 1 1 1 A 102 102 VAL H H 102 8.160 8.978 -0.818 1
1 1183 . 1 1 1 A 102 102 VAL HA H 102 4.080 4.702 -0.622 1
1 1191 . 1 1 1 A 102 102 VAL CA C 102 62.500 60.557 1.943 1
1 1192 . 1 1 1 A 102 102 VAL CB C 102 32.700 33.643 -0.943 1
1 1195 . 1 1 1 A 102 102 VAL N N 102 121.500 126.329 -4.829 1
1 1196 . 1 1 1 A 103 103 ARG H H 103 7.920 8.730 -0.810 1
1 1197 . 1 1 1 A 103 103 ARG HA H 103 4.160 4.972 -0.812 1
1 1204 . 1 1 1 A 103 103 ARG CA C 103 57.300 54.713 2.587 1
1 1205 . 1 1 1 A 103 103 ARG CB C 103 31.600 32.067 -0.467 1
1 1208 . 1 1 1 A 103 103 ARG N N 103 129.400 128.328 1.072 1
1 1209 . 1 1 1 A 104 104 LEU H H 104 8.190 8.736 -0.546 1
1 1210 . 1 1 1 A 104 104 LEU N N 104 122.800 121.216 1.584 1
1 1211 . 1 1 1 A 105 105 GLU H H 105 8.220 7.609 0.611 1
1 8 . 2 1 1 A 2 2 PRO HA H 2 4.430 4.481 -0.051 1
1 15 . 2 1 1 A 2 2 PRO CA C 2 62.800 62.570 0.230 1
1 16 . 2 1 1 A 2 2 PRO CB C 2 31.900 31.927 -0.027 1
1 19 . 2 1 1 A 3 3 VAL H H 3 8.130 8.461 -0.331 1
1 20 . 2 1 1 A 3 3 VAL HA H 3 4.030 4.186 -0.156 1
1 28 . 2 1 1 A 3 3 VAL CA C 3 62.200 62.140 0.060 1
1 29 . 2 1 1 A 3 3 VAL CB C 3 32.700 30.610 2.090 1
1 32 . 2 1 1 A 3 3 VAL N N 3 120.100 122.768 -2.668 1
1 33 . 2 1 1 A 4 4 ALA H H 4 8.330 8.561 -0.231 1
1 34 . 2 1 1 A 4 4 ALA HA H 4 4.310 4.870 -0.560 1
1 38 . 2 1 1 A 4 4 ALA CA C 4 52.100 50.456 1.644 1
1 39 . 2 1 1 A 4 4 ALA CB C 4 19.400 19.817 -0.417 1
1 40 . 2 1 1 A 4 4 ALA N N 4 127.300 130.056 -2.756 1
1 41 . 2 1 1 A 5 5 GLU H H 5 8.290 9.119 -0.829 1
1 42 . 2 1 1 A 5 5 GLU HA H 5 4.290 4.970 -0.680 1
1 47 . 2 1 1 A 5 5 GLU CA C 5 56.100 55.374 0.726 1
1 48 . 2 1 1 A 5 5 GLU CB C 5 30.500 31.329 -0.829 1
1 50 . 2 1 1 A 5 5 GLU N N 5 121.000 124.444 -3.444 1
1 51 . 2 1 1 A 6 6 TRP H H 6 8.670 8.619 0.051 1
1 52 . 2 1 1 A 6 6 TRP HA H 6 5.020 5.311 -0.291 1
1 61 . 2 1 1 A 6 6 TRP CA C 6 54.500 56.850 -2.350 1
1 62 . 2 1 1 A 6 6 TRP CB C 6 30.100 32.432 -2.332 1
1 68 . 2 1 1 A 6 6 TRP N N 6 124.900 128.245 -3.345 1
1 70 . 2 1 1 A 7 7 ALA H H 7 7.850 9.399 -1.549 1
1 71 . 2 1 1 A 7 7 ALA HA H 7 3.790 4.092 -0.302 1
1 75 . 2 1 1 A 7 7 ALA CA C 7 53.200 51.392 1.808 1
1 76 . 2 1 1 A 7 7 ALA CB C 7 18.000 16.998 1.002 1
1 77 . 2 1 1 A 7 7 ALA N N 7 128.000 131.113 -3.113 1
1 78 . 2 1 1 A 8 8 VAL H H 8 5.280 7.642 -2.362 1
1 79 . 2 1 1 A 8 8 VAL HA H 8 2.850 4.013 -1.163 1
1 87 . 2 1 1 A 8 8 VAL CA C 8 59.700 57.366 2.334 1
1 88 . 2 1 1 A 8 8 VAL CB C 8 31.600 34.526 -2.926 1
1 91 . 2 1 1 A 8 8 VAL N N 8 117.000 120.555 -3.555 1
1 92 . 2 1 1 A 9 9 PRO HA H 9 4.340 4.370 -0.030 1
1 99 . 2 1 1 A 9 9 PRO CA C 9 62.800 63.226 -0.426 1
1 100 . 2 1 1 A 9 9 PRO CB C 9 32.400 31.956 0.444 1
1 103 . 2 1 1 A 10 10 GLN HA H 10 3.710 3.886 -0.176 1
1 110 . 2 1 1 A 10 10 GLN CA C 10 60.100 58.918 1.182 1
1 111 . 2 1 1 A 10 10 GLN CB C 10 28.000 29.060 -1.060 1
1 114 . 2 1 1 A 11 11 SER HA H 11 4.070 4.100 -0.030 1
1 117 . 2 1 1 A 11 11 SER CA C 11 61.400 61.852 -0.452 1
1 118 . 2 1 1 A 11 11 SER CB C 11 61.400 62.851 -1.451 1
1 119 . 2 1 1 A 12 12 SER H H 12 7.070 7.887 -0.817 1
1 120 . 2 1 1 A 12 12 SER HA H 12 3.990 3.912 0.078 1
1 123 . 2 1 1 A 12 12 SER CA C 12 61.500 61.030 0.470 1
1 124 . 2 1 1 A 12 12 SER CB C 12 61.500 63.086 -1.586 1
1 125 . 2 1 1 A 12 12 SER N N 12 119.300 115.734 3.566 1
1 126 . 2 1 1 A 13 13 ARG H H 13 8.000 8.247 -0.247 1
1 127 . 2 1 1 A 13 13 ARG HA H 13 3.930 4.082 -0.152 1
1 134 . 2 1 1 A 13 13 ARG CA C 13 59.800 58.946 0.854 1
1 135 . 2 1 1 A 13 13 ARG CB C 13 30.300 29.689 0.611 1
1 138 . 2 1 1 A 13 13 ARG N N 13 121.600 119.159 2.441 1
1 139 . 2 1 1 A 14 14 LEU H H 14 7.710 8.439 -0.729 1
1 140 . 2 1 1 A 14 14 LEU HA H 14 4.120 4.003 0.117 1
1 150 . 2 1 1 A 14 14 LEU CA C 14 57.900 57.895 0.005 1
1 151 . 2 1 1 A 14 14 LEU CB C 14 41.900 41.162 0.738 1
1 155 . 2 1 1 A 14 14 LEU N N 14 117.100 120.540 -3.440 1
1 156 . 2 1 1 A 15 15 LYS H H 15 7.450 7.812 -0.362 1
1 157 . 2 1 1 A 15 15 LYS HA H 15 4.050 3.938 0.112 1
1 166 . 2 1 1 A 15 15 LYS CA C 15 59.100 59.002 0.098 1
1 167 . 2 1 1 A 15 15 LYS CB C 15 33.000 31.863 1.137 1
1 171 . 2 1 1 A 15 15 LYS N N 15 118.800 120.677 -1.877 1
1 172 . 2 1 1 A 16 16 TYR H H 16 8.640 7.258 1.382 1
1 173 . 2 1 1 A 16 16 TYR HA H 16 5.130 4.582 0.548 1
1 180 . 2 1 1 A 16 16 TYR CA C 16 58.900 61.636 -2.736 1
1 181 . 2 1 1 A 16 16 TYR CB C 16 37.100 38.127 -1.027 1
1 184 . 2 1 1 A 16 16 TYR N N 16 117.800 118.323 -0.523 1
1 185 . 2 1 1 A 17 17 ARG H H 17 8.470 8.469 0.001 1
1 186 . 2 1 1 A 17 17 ARG HA H 17 4.230 4.132 0.098 1
1 193 . 2 1 1 A 17 17 ARG CA C 17 59.700 59.151 0.549 1
1 194 . 2 1 1 A 17 17 ARG CB C 17 29.800 29.665 0.135 1
1 197 . 2 1 1 A 17 17 ARG N N 17 124.000 122.480 1.520 1
1 198 . 2 1 1 A 18 18 GLN H H 18 7.740 7.849 -0.109 1
1 199 . 2 1 1 A 18 18 GLN HA H 18 4.190 4.261 -0.071 1
1 206 . 2 1 1 A 18 18 GLN CA C 18 59.300 57.627 1.673 1
1 207 . 2 1 1 A 18 18 GLN CB C 18 27.900 28.811 -0.911 1
1 209 . 2 1 1 A 18 18 GLN N N 18 118.000 116.840 1.160 1
1 211 . 2 1 1 A 19 19 LEU H H 19 7.770 7.618 0.152 1
1 212 . 2 1 1 A 19 19 LEU HA H 19 4.400 4.287 0.113 1
1 222 . 2 1 1 A 19 19 LEU CA C 19 58.000 53.764 4.236 1
1 223 . 2 1 1 A 19 19 LEU CB C 19 42.800 42.732 0.068 1
1 227 . 2 1 1 A 19 19 LEU N N 19 120.500 121.376 -0.876 1
1 228 . 2 1 1 A 20 20 PHE H H 20 8.710 7.915 0.795 1
1 229 . 2 1 1 A 20 20 PHE HA H 20 3.330 3.691 -0.361 1
1 237 . 2 1 1 A 20 20 PHE CA C 20 62.400 62.041 0.359 1
1 238 . 2 1 1 A 20 20 PHE CB C 20 38.500 39.192 -0.692 1
1 242 . 2 1 1 A 20 20 PHE N N 20 121.900 121.615 0.285 1
1 243 . 2 1 1 A 21 21 ASN H H 21 8.770 8.721 0.049 1
1 244 . 2 1 1 A 21 21 ASN HA H 21 4.380 4.350 0.030 1
1 249 . 2 1 1 A 21 21 ASN CA C 21 55.400 56.576 -1.176 1
1 250 . 2 1 1 A 21 21 ASN CB C 21 37.600 38.866 -1.266 1
1 251 . 2 1 1 A 21 21 ASN N N 21 117.300 117.761 -0.461 1
1 253 . 2 1 1 A 22 22 SER H H 22 7.900 8.549 -0.649 1
1 254 . 2 1 1 A 22 22 SER HA H 22 4.180 4.185 -0.005 1
1 257 . 2 1 1 A 22 22 SER CA C 22 60.700 61.733 -1.033 1
1 258 . 2 1 1 A 22 22 SER CB C 22 62.900 63.100 -0.200 1
1 259 . 2 1 1 A 22 22 SER N N 22 114.800 115.878 -1.078 1
1 260 . 2 1 1 A 23 23 HIS H H 23 7.310 7.499 -0.189 1
1 261 . 2 1 1 A 23 23 HIS HA H 23 4.480 4.227 0.253 1
1 266 . 2 1 1 A 23 23 HIS CA C 23 58.000 58.754 -0.754 1
1 267 . 2 1 1 A 23 23 HIS CB C 23 32.400 30.899 1.501 1
1 270 . 2 1 1 A 23 23 HIS N N 23 118.900 117.371 1.529 1
1 271 . 2 1 1 A 24 24 ASP H H 24 7.870 7.842 0.028 1
1 272 . 2 1 1 A 24 24 ASP HA H 24 4.850 4.282 0.568 1
1 275 . 2 1 1 A 24 24 ASP CA C 24 52.100 53.887 -1.787 1
1 276 . 2 1 1 A 24 24 ASP CB C 24 38.500 41.555 -3.055 1
1 277 . 2 1 1 A 24 24 ASP N N 24 122.400 117.510 4.890 1
1 278 . 2 1 1 A 25 25 LYS H H 25 7.900 8.699 -0.799 1
1 279 . 2 1 1 A 25 25 LYS HA H 25 4.070 4.052 0.018 1
1 288 . 2 1 1 A 25 25 LYS CA C 25 58.600 58.095 0.505 1
1 289 . 2 1 1 A 25 25 LYS CB C 25 32.600 32.703 -0.103 1
1 293 . 2 1 1 A 25 25 LYS N N 25 122.400 122.098 0.302 1
1 294 . 2 1 1 A 26 26 THR H H 26 8.120 8.467 -0.347 1
1 295 . 2 1 1 A 26 26 THR HA H 26 4.340 4.661 -0.321 1
1 300 . 2 1 1 A 26 26 THR CA C 26 61.000 60.959 0.041 1
1 301 . 2 1 1 A 26 26 THR CB C 26 69.100 70.084 -0.984 1
1 303 . 2 1 1 A 26 26 THR N N 26 106.400 114.420 -8.020 1
1 304 . 2 1 1 A 27 27 MET H H 27 8.030 8.010 0.020 1
1 305 . 2 1 1 A 27 27 MET HA H 27 3.980 4.142 -0.162 1
1 310 . 2 1 1 A 27 27 MET CA C 27 56.600 56.376 0.224 1
1 311 . 2 1 1 A 27 27 MET CB C 27 29.100 30.413 -1.313 1
1 313 . 2 1 1 A 27 27 MET N N 27 119.600 121.464 -1.864 1
1 314 . 2 1 1 A 28 28 SER H H 28 9.520 7.905 1.615 1
1 315 . 2 1 1 A 28 28 SER HA H 28 4.250 4.968 -0.718 1
1 318 . 2 1 1 A 28 28 SER CA C 28 60.500 57.969 2.531 1
1 319 . 2 1 1 A 28 28 SER CB C 28 64.400 64.597 -0.197 1
1 320 . 2 1 1 A 28 28 SER N N 28 118.600 114.618 3.982 1
1 321 . 2 1 1 A 29 29 GLY H H 29 10.710 8.170 2.540 1
1 322 . 2 1 1 A 29 29 GLY HA2 H 29 4.380 3.797 0.583 1
1 323 . 2 1 1 A 29 29 GLY HA3 H 29 3.690 3.837 -0.147 1
1 324 . 2 1 1 A 29 29 GLY CA C 29 45.200 45.139 0.061 1
1 325 . 2 1 1 A 29 29 GLY N N 29 113.800 109.751 4.049 1
1 326 . 2 1 1 A 30 30 HIS H H 30 7.870 8.420 -0.550 1
1 327 . 2 1 1 A 30 30 HIS HA H 30 5.520 4.825 0.695 1
1 332 . 2 1 1 A 30 30 HIS CA C 30 55.800 56.776 -0.976 1
1 333 . 2 1 1 A 30 30 HIS CB C 30 32.800 27.551 5.249 1
1 336 . 2 1 1 A 30 30 HIS N N 30 115.700 116.270 -0.570 1
1 337 . 2 1 1 A 31 31 LEU H H 31 9.140 9.039 0.101 1
1 338 . 2 1 1 A 31 31 LEU HA H 31 4.840 4.321 0.519 1
1 348 . 2 1 1 A 31 31 LEU CA C 31 52.900 55.200 -2.300 1
1 349 . 2 1 1 A 31 31 LEU CB C 31 44.200 42.261 1.939 1
1 353 . 2 1 1 A 31 31 LEU N N 31 117.200 123.583 -6.383 1
1 354 . 2 1 1 A 32 32 THR H H 32 8.680 8.495 0.185 1
1 355 . 2 1 1 A 32 32 THR HA H 32 4.340 4.796 -0.456 1
1 360 . 2 1 1 A 32 32 THR CA C 32 61.500 60.409 1.091 1
1 361 . 2 1 1 A 32 32 THR CB C 32 70.200 71.337 -1.137 1
1 363 . 2 1 1 A 32 32 THR N N 32 113.400 116.245 -2.845 1
1 364 . 2 1 1 A 33 33 GLY H H 33 9.090 8.938 0.152 1
1 365 . 2 1 1 A 33 33 GLY HA2 H 33 3.970 3.836 0.134 1
1 366 . 2 1 1 A 33 33 GLY HA3 H 33 4.070 4.111 -0.041 1
1 367 . 2 1 1 A 33 33 GLY CA C 33 49.300 48.286 1.014 1
1 368 . 2 1 1 A 33 33 GLY N N 33 108.000 109.535 -1.535 1
1 369 . 2 1 1 A 34 34 PRO HA H 34 4.110 4.165 -0.055 1
1 376 . 2 1 1 A 34 34 PRO CA C 34 65.400 65.518 -0.118 1
1 377 . 2 1 1 A 34 34 PRO CB C 34 32.200 31.013 1.187 1
1 380 . 2 1 1 A 35 35 GLN H H 35 7.240 8.224 -0.984 1
1 381 . 2 1 1 A 35 35 GLN HA H 35 4.040 4.055 -0.015 1
1 388 . 2 1 1 A 35 35 GLN CA C 35 58.200 59.322 -1.122 1
1 389 . 2 1 1 A 35 35 GLN CB C 35 29.800 28.391 1.409 1
1 391 . 2 1 1 A 35 35 GLN N N 35 116.700 117.517 -0.817 1
1 393 . 2 1 1 A 36 36 ALA H H 36 9.180 8.682 0.498 1
1 394 . 2 1 1 A 36 36 ALA HA H 36 4.080 4.294 -0.214 1
1 398 . 2 1 1 A 36 36 ALA CA C 36 54.900 55.569 -0.669 1
1 399 . 2 1 1 A 36 36 ALA CB C 36 18.900 18.486 0.414 1
1 400 . 2 1 1 A 36 36 ALA N N 36 120.000 122.252 -2.252 1
1 401 . 2 1 1 A 37 37 ARG H H 37 9.060 8.480 0.580 1
1 402 . 2 1 1 A 37 37 ARG HA H 37 3.860 4.099 -0.239 1
1 409 . 2 1 1 A 37 37 ARG CA C 37 61.000 59.661 1.339 1
1 410 . 2 1 1 A 37 37 ARG CB C 37 29.900 29.963 -0.063 1
1 413 . 2 1 1 A 37 37 ARG N N 37 117.200 118.328 -1.128 1
1 414 . 2 1 1 A 38 38 THR H H 38 7.620 8.251 -0.631 1
1 415 . 2 1 1 A 38 38 THR HA H 38 3.920 4.006 -0.086 1
1 420 . 2 1 1 A 38 38 THR CA C 38 66.900 67.028 -0.128 1
1 421 . 2 1 1 A 38 38 THR CB C 38 68.800 67.816 0.984 1
1 423 . 2 1 1 A 38 38 THR N N 38 114.600 118.717 -4.117 1
1 424 . 2 1 1 A 39 39 ILE H H 39 7.180 7.661 -0.481 1
1 425 . 2 1 1 A 39 39 ILE HA H 39 3.730 3.712 0.018 1
1 435 . 2 1 1 A 39 39 ILE CA C 39 64.900 64.311 0.589 1
1 436 . 2 1 1 A 39 39 ILE CB C 39 39.000 37.602 1.398 1
1 440 . 2 1 1 A 39 39 ILE N N 39 121.500 121.411 0.089 1
1 441 . 2 1 1 A 40 40 LEU H H 40 8.480 8.321 0.159 1
1 442 . 2 1 1 A 40 40 LEU HA H 40 3.870 3.843 0.027 1
1 452 . 2 1 1 A 40 40 LEU CA C 40 58.500 57.904 0.596 1
1 453 . 2 1 1 A 40 40 LEU CB C 40 40.800 41.452 -0.652 1
1 457 . 2 1 1 A 40 40 LEU N N 40 119.900 119.856 0.044 1
1 458 . 2 1 1 A 41 41 MET H H 41 8.160 8.839 -0.679 1
1 459 . 2 1 1 A 41 41 MET HA H 41 4.200 4.228 -0.028 1
1 464 . 2 1 1 A 41 41 MET CA C 41 57.700 57.932 -0.232 1
1 465 . 2 1 1 A 41 41 MET CB C 41 32.500 32.328 0.172 1
1 467 . 2 1 1 A 41 41 MET N N 41 115.300 118.681 -3.381 1
1 468 . 2 1 1 A 42 42 GLN H H 42 7.600 7.279 0.321 1
1 469 . 2 1 1 A 42 42 GLN HA H 42 4.230 4.253 -0.023 1
1 476 . 2 1 1 A 42 42 GLN CA C 42 57.200 57.873 -0.673 1
1 477 . 2 1 1 A 42 42 GLN CB C 42 27.900 28.090 -0.190 1
1 479 . 2 1 1 A 42 42 GLN N N 42 118.900 118.582 0.318 1
1 481 . 2 1 1 A 43 43 SER H H 43 7.670 7.826 -0.156 1
1 482 . 2 1 1 A 43 43 SER HA H 43 4.300 4.386 -0.086 1
1 485 . 2 1 1 A 43 43 SER CA C 43 59.800 60.743 -0.943 1
1 486 . 2 1 1 A 43 43 SER CB C 43 65.200 63.377 1.823 1
1 487 . 2 1 1 A 43 43 SER N N 43 113.900 115.786 -1.886 1
1 488 . 2 1 1 A 44 44 SER H H 44 8.040 7.835 0.205 1
1 489 . 2 1 1 A 44 44 SER HA H 44 4.300 4.660 -0.360 1
1 492 . 2 1 1 A 44 44 SER CA C 44 59.400 57.937 1.463 1
1 493 . 2 1 1 A 44 44 SER CB C 44 62.500 64.992 -2.492 1
1 494 . 2 1 1 A 44 44 SER N N 44 113.500 111.383 2.117 1
1 495 . 2 1 1 A 45 45 LEU H H 45 7.430 7.645 -0.215 1
1 496 . 2 1 1 A 45 45 LEU HA H 45 4.470 4.657 -0.187 1
1 506 . 2 1 1 A 45 45 LEU CA C 45 53.300 51.852 1.448 1
1 507 . 2 1 1 A 45 45 LEU CB C 45 41.700 43.181 -1.481 1
1 511 . 2 1 1 A 45 45 LEU N N 45 121.900 122.990 -1.090 1
1 512 . 2 1 1 A 46 46 PRO HA H 46 4.460 4.645 -0.185 1
1 519 . 2 1 1 A 46 46 PRO CA C 46 62.500 62.161 0.339 1
1 520 . 2 1 1 A 46 46 PRO CB C 46 32.500 32.752 -0.252 1
1 523 . 2 1 1 A 47 47 GLN H H 47 8.820 9.005 -0.185 1
1 524 . 2 1 1 A 47 47 GLN HA H 47 3.870 3.954 -0.084 1
1 531 . 2 1 1 A 47 47 GLN CA C 47 59.600 59.055 0.545 1
1 532 . 2 1 1 A 47 47 GLN CB C 47 28.100 28.119 -0.019 1
1 534 . 2 1 1 A 47 47 GLN N N 47 123.400 122.522 0.878 1
1 536 . 2 1 1 A 48 48 ALA H H 48 9.000 8.139 0.861 1
1 537 . 2 1 1 A 48 48 ALA HA H 48 4.150 4.074 0.076 1
1 541 . 2 1 1 A 48 48 ALA CA C 48 55.200 55.261 -0.061 1
1 542 . 2 1 1 A 48 48 ALA CB C 48 18.200 18.283 -0.083 1
1 543 . 2 1 1 A 48 48 ALA N N 48 119.800 121.934 -2.134 1
1 544 . 2 1 1 A 49 49 GLN H H 49 7.190 7.792 -0.602 1
1 545 . 2 1 1 A 49 49 GLN HA H 49 4.230 4.074 0.156 1
1 552 . 2 1 1 A 49 49 GLN CA C 49 58.600 58.700 -0.100 1
1 553 . 2 1 1 A 49 49 GLN CB C 49 29.400 28.131 1.269 1
1 555 . 2 1 1 A 49 49 GLN N N 49 115.800 117.351 -1.551 1
1 557 . 2 1 1 A 50 50 LEU H H 50 7.800 8.164 -0.364 1
1 558 . 2 1 1 A 50 50 LEU HA H 50 3.930 4.055 -0.125 1
1 568 . 2 1 1 A 50 50 LEU CA C 50 57.900 57.947 -0.047 1
1 569 . 2 1 1 A 50 50 LEU CB C 50 41.100 41.244 -0.144 1
1 573 . 2 1 1 A 50 50 LEU N N 50 119.800 120.754 -0.954 1
1 574 . 2 1 1 A 51 51 ALA H H 51 8.410 8.674 -0.264 1
1 575 . 2 1 1 A 51 51 ALA HA H 51 4.210 4.120 0.090 1
1 579 . 2 1 1 A 51 51 ALA CA C 51 55.100 55.287 -0.187 1
1 580 . 2 1 1 A 51 51 ALA CB C 51 17.500 17.916 -0.416 1
1 581 . 2 1 1 A 51 51 ALA N N 51 122.600 122.905 -0.305 1
1 582 . 2 1 1 A 52 52 SER H H 52 7.530 7.879 -0.349 1
1 583 . 2 1 1 A 52 52 SER HA H 52 4.310 4.230 0.080 1
1 586 . 2 1 1 A 52 52 SER CA C 52 62.200 61.587 0.613 1
1 587 . 2 1 1 A 52 52 SER CB C 52 62.600 62.986 -0.386 1
1 588 . 2 1 1 A 52 52 SER N N 52 115.300 113.370 1.930 1
1 589 . 2 1 1 A 53 53 ILE H H 53 8.270 8.019 0.251 1
1 590 . 2 1 1 A 53 53 ILE HA H 53 3.430 3.679 -0.249 1
1 600 . 2 1 1 A 53 53 ILE CA C 53 66.300 65.049 1.251 1
1 601 . 2 1 1 A 53 53 ILE CB C 53 37.900 37.663 0.237 1
1 605 . 2 1 1 A 53 53 ILE N N 53 122.000 121.877 0.123 1
1 606 . 2 1 1 A 54 54 TRP H H 54 8.480 8.680 -0.200 1
1 607 . 2 1 1 A 54 54 TRP HA H 54 3.720 4.115 -0.395 1
1 616 . 2 1 1 A 54 54 TRP CA C 54 61.400 60.850 0.550 1
1 617 . 2 1 1 A 54 54 TRP CB C 54 28.100 29.299 -1.199 1
1 623 . 2 1 1 A 54 54 TRP N N 54 122.100 121.647 0.453 1
1 625 . 2 1 1 A 55 55 ASN H H 55 7.860 8.523 -0.663 1
1 626 . 2 1 1 A 55 55 ASN HA H 55 4.350 4.540 -0.190 1
1 631 . 2 1 1 A 55 55 ASN CA C 55 55.900 56.621 -0.721 1
1 632 . 2 1 1 A 55 55 ASN CB C 55 38.500 40.250 -1.750 1
1 633 . 2 1 1 A 55 55 ASN N N 55 113.900 117.936 -4.036 1
1 635 . 2 1 1 A 56 56 LEU H H 56 8.020 8.057 -0.037 1
1 636 . 2 1 1 A 56 56 LEU HA H 56 3.990 4.076 -0.086 1
1 646 . 2 1 1 A 56 56 LEU CA C 56 56.700 57.274 -0.574 1
1 647 . 2 1 1 A 56 56 LEU CB C 56 43.900 41.529 2.371 1
1 651 . 2 1 1 A 56 56 LEU N N 56 117.500 119.568 -2.068 1
1 652 . 2 1 1 A 57 57 SER H H 57 7.280 7.480 -0.200 1
1 653 . 2 1 1 A 57 57 SER HA H 57 4.290 4.326 -0.036 1
1 656 . 2 1 1 A 57 57 SER CA C 57 61.100 60.990 0.110 1
1 657 . 2 1 1 A 57 57 SER CB C 57 64.000 63.070 0.930 1
1 658 . 2 1 1 A 57 57 SER N N 57 111.100 112.694 -1.594 1
1 659 . 2 1 1 A 58 58 ASP H H 58 7.030 7.847 -0.817 1
1 660 . 2 1 1 A 58 58 ASP HA H 58 4.650 4.228 0.422 1
1 663 . 2 1 1 A 58 58 ASP CA C 58 51.400 54.035 -2.635 1
1 664 . 2 1 1 A 58 58 ASP CB C 58 37.200 41.146 -3.946 1
1 665 . 2 1 1 A 58 58 ASP N N 58 115.600 120.134 -4.534 1
1 666 . 2 1 1 A 59 59 ILE H H 59 8.630 8.462 0.168 1
1 667 . 2 1 1 A 59 59 ILE HA H 59 3.260 4.182 -0.922 1
1 677 . 2 1 1 A 59 59 ILE CA C 59 62.900 62.078 0.822 1
1 678 . 2 1 1 A 59 59 ILE CB C 59 36.600 38.910 -2.310 1
1 682 . 2 1 1 A 59 59 ILE N N 59 128.500 126.279 2.221 1
1 683 . 2 1 1 A 60 60 ASP H H 60 7.960 8.083 -0.123 1
1 684 . 2 1 1 A 60 60 ASP HA H 60 4.480 5.098 -0.618 1
1 687 . 2 1 1 A 60 60 ASP CA C 60 52.300 54.316 -2.016 1
1 688 . 2 1 1 A 60 60 ASP CB C 60 39.100 44.131 -5.031 1
1 689 . 2 1 1 A 60 60 ASP N N 60 113.200 120.298 -7.098 1
1 690 . 2 1 1 A 61 61 GLN H H 61 7.550 7.857 -0.307 1
1 691 . 2 1 1 A 61 61 GLN HA H 61 3.800 4.438 -0.638 1
1 698 . 2 1 1 A 61 61 GLN CA C 61 57.100 55.313 1.787 1
1 699 . 2 1 1 A 61 61 GLN CB C 61 26.400 30.072 -3.672 1
1 701 . 2 1 1 A 61 61 GLN N N 61 113.800 116.319 -2.519 1
1 703 . 2 1 1 A 62 62 ASP H H 62 8.390 9.130 -0.740 1
1 704 . 2 1 1 A 62 62 ASP HA H 62 4.720 4.368 0.352 1
1 707 . 2 1 1 A 62 62 ASP CA C 62 52.800 55.464 -2.664 1
1 708 . 2 1 1 A 62 62 ASP CB C 62 41.000 40.188 0.812 1
1 709 . 2 1 1 A 62 62 ASP N N 62 117.700 118.686 -0.986 1
1 710 . 2 1 1 A 63 63 GLY H H 63 10.840 8.252 2.588 1
1 711 . 2 1 1 A 63 63 GLY HA2 H 63 4.310 4.304 0.006 1
1 712 . 2 1 1 A 63 63 GLY HA3 H 63 3.880 4.653 -0.773 1
1 713 . 2 1 1 A 63 63 GLY CA C 63 46.200 45.746 0.454 1
1 714 . 2 1 1 A 63 63 GLY N N 63 114.200 105.203 8.997 1
1 715 . 2 1 1 A 64 64 LYS H H 64 8.070 7.848 0.222 1
1 716 . 2 1 1 A 64 64 LYS HA H 64 5.030 5.200 -0.170 1
1 725 . 2 1 1 A 64 64 LYS CA C 64 54.200 54.526 -0.326 1
1 726 . 2 1 1 A 64 64 LYS CB C 64 36.100 36.501 -0.401 1
1 730 . 2 1 1 A 64 64 LYS N N 64 117.400 120.171 -2.771 1
1 731 . 2 1 1 A 65 65 LEU H H 65 8.990 9.802 -0.812 1
1 732 . 2 1 1 A 65 65 LEU HA H 65 5.750 4.855 0.895 1
1 742 . 2 1 1 A 65 65 LEU CA C 65 52.900 53.614 -0.714 1
1 743 . 2 1 1 A 65 65 LEU CB C 65 43.600 43.662 -0.062 1
1 747 . 2 1 1 A 65 65 LEU N N 65 120.700 123.644 -2.944 1
1 748 . 2 1 1 A 66 66 THR H H 66 10.210 9.185 1.025 1
1 749 . 2 1 1 A 66 66 THR HA H 66 4.910 4.834 0.076 1
1 754 . 2 1 1 A 66 66 THR CA C 66 60.900 60.933 -0.033 1
1 755 . 2 1 1 A 66 66 THR CB C 66 71.200 71.335 -0.135 1
1 757 . 2 1 1 A 66 66 THR N N 66 116.300 118.316 -2.016 1
1 758 . 2 1 1 A 67 67 ALA H H 67 8.350 8.448 -0.098 1
1 759 . 2 1 1 A 67 67 ALA HA H 67 2.620 3.091 -0.471 1
1 763 . 2 1 1 A 67 67 ALA CA C 67 56.200 54.652 1.548 1
1 764 . 2 1 1 A 67 67 ALA CB C 67 18.000 17.392 0.608 1
1 765 . 2 1 1 A 67 67 ALA N N 67 122.000 123.456 -1.456 1
1 766 . 2 1 1 A 68 68 GLU H H 68 8.160 7.973 0.187 1
1 767 . 2 1 1 A 68 68 GLU HA H 68 4.180 4.116 0.064 1
1 772 . 2 1 1 A 68 68 GLU CA C 68 60.500 59.460 1.040 1
1 773 . 2 1 1 A 68 68 GLU CB C 68 30.500 29.415 1.085 1
1 775 . 2 1 1 A 68 68 GLU N N 68 112.200 117.725 -5.525 1
1 776 . 2 1 1 A 69 69 GLU H H 69 7.280 7.373 -0.093 1
1 777 . 2 1 1 A 69 69 GLU HA H 69 4.030 3.914 0.116 1
1 782 . 2 1 1 A 69 69 GLU CA C 69 60.100 58.731 1.369 1
1 783 . 2 1 1 A 69 69 GLU CB C 69 31.800 29.280 2.520 1
1 785 . 2 1 1 A 69 69 GLU N N 69 117.400 120.196 -2.796 1
1 786 . 2 1 1 A 70 70 PHE H H 70 8.940 8.329 0.611 1
1 787 . 2 1 1 A 70 70 PHE HA H 70 4.130 4.123 0.007 1
1 795 . 2 1 1 A 70 70 PHE CA C 70 61.900 61.500 0.400 1
1 796 . 2 1 1 A 70 70 PHE CB C 70 39.900 39.321 0.579 1
1 800 . 2 1 1 A 70 70 PHE N N 70 119.000 121.775 -2.775 1
1 801 . 2 1 1 A 71 71 ILE H H 71 8.890 8.151 0.739 1
1 802 . 2 1 1 A 71 71 ILE HA H 71 3.380 3.847 -0.467 1
1 812 . 2 1 1 A 71 71 ILE CA C 71 65.800 65.588 0.212 1
1 813 . 2 1 1 A 71 71 ILE CB C 71 39.100 37.971 1.129 1
1 817 . 2 1 1 A 71 71 ILE N N 71 119.800 120.920 -1.120 1
1 818 . 2 1 1 A 72 72 LEU H H 72 7.810 8.055 -0.245 1
1 819 . 2 1 1 A 72 72 LEU HA H 72 4.040 4.148 -0.108 1
1 829 . 2 1 1 A 72 72 LEU CA C 72 58.300 58.035 0.265 1
1 830 . 2 1 1 A 72 72 LEU CB C 72 42.600 41.458 1.142 1
1 834 . 2 1 1 A 72 72 LEU N N 72 118.100 121.068 -2.968 1
1 835 . 2 1 1 A 73 73 ALA H H 73 8.340 8.261 0.079 1
1 836 . 2 1 1 A 73 73 ALA HA H 73 3.820 3.988 -0.168 1
1 840 . 2 1 1 A 73 73 ALA CA C 73 55.600 55.362 0.238 1
1 841 . 2 1 1 A 73 73 ALA CB C 73 17.600 18.345 -0.745 1
1 842 . 2 1 1 A 73 73 ALA N N 73 122.000 120.946 1.054 1
1 843 . 2 1 1 A 74 74 MET H H 74 7.840 7.959 -0.119 1
1 844 . 2 1 1 A 74 74 MET HA H 74 3.830 4.031 -0.201 1
1 852 . 2 1 1 A 74 74 MET CA C 74 55.400 57.127 -1.727 1
1 853 . 2 1 1 A 74 74 MET CB C 74 27.800 30.769 -2.969 1
1 856 . 2 1 1 A 74 74 MET N N 74 113.400 116.834 -3.434 1
1 857 . 2 1 1 A 75 75 HIS H H 75 8.340 7.960 0.380 1
1 858 . 2 1 1 A 75 75 HIS HA H 75 4.510 4.374 0.136 1
1 863 . 2 1 1 A 75 75 HIS CA C 75 60.000 59.405 0.595 1
1 864 . 2 1 1 A 75 75 HIS CB C 75 31.400 29.884 1.516 1
1 867 . 2 1 1 A 75 75 HIS N N 75 120.200 120.946 -0.746 1
1 868 . 2 1 1 A 76 76 LEU H H 76 8.750 8.144 0.606 1
1 869 . 2 1 1 A 76 76 LEU HA H 76 3.670 3.670 0.000 1
1 879 . 2 1 1 A 76 76 LEU CA C 76 57.700 57.554 0.146 1
1 880 . 2 1 1 A 76 76 LEU CB C 76 41.400 41.273 0.127 1
1 884 . 2 1 1 A 76 76 LEU N N 76 118.600 119.105 -0.505 1
1 885 . 2 1 1 A 77 77 ILE H H 77 7.980 8.086 -0.106 1
1 886 . 2 1 1 A 77 77 ILE HA H 77 3.470 3.443 0.027 1
1 896 . 2 1 1 A 77 77 ILE CA C 77 66.000 64.856 1.144 1
1 897 . 2 1 1 A 77 77 ILE CB C 77 36.500 37.480 -0.980 1
1 901 . 2 1 1 A 77 77 ILE N N 77 120.900 120.506 0.394 1
1 902 . 2 1 1 A 78 78 ASP H H 78 7.490 7.953 -0.463 1
1 903 . 2 1 1 A 78 78 ASP HA H 78 4.300 4.314 -0.014 1
1 906 . 2 1 1 A 78 78 ASP CA C 78 57.900 57.577 0.323 1
1 907 . 2 1 1 A 78 78 ASP CB C 78 39.000 41.296 -2.296 1
1 908 . 2 1 1 A 78 78 ASP N N 78 121.500 120.987 0.513 1
1 909 . 2 1 1 A 79 79 VAL H H 79 8.380 7.620 0.760 1
1 910 . 2 1 1 A 79 79 VAL HA H 79 3.390 3.464 -0.074 1
1 918 . 2 1 1 A 79 79 VAL CA C 79 66.400 66.471 -0.071 1
1 919 . 2 1 1 A 79 79 VAL CB C 79 31.700 31.374 0.326 1
1 922 . 2 1 1 A 79 79 VAL N N 79 122.400 119.259 3.141 1
1 923 . 2 1 1 A 80 80 ALA H H 80 8.730 8.548 0.182 1
1 924 . 2 1 1 A 80 80 ALA HA H 80 4.360 4.030 0.330 1
1 928 . 2 1 1 A 80 80 ALA CA C 80 54.800 55.372 -0.572 1
1 929 . 2 1 1 A 80 80 ALA CB C 80 18.100 17.813 0.287 1
1 930 . 2 1 1 A 80 80 ALA N N 80 125.200 121.994 3.206 1
1 931 . 2 1 1 A 81 81 MET H H 81 9.360 8.521 0.839 1
1 932 . 2 1 1 A 81 81 MET HA H 81 4.210 4.199 0.011 1
1 940 . 2 1 1 A 81 81 MET CA C 81 57.800 57.848 -0.048 1
1 941 . 2 1 1 A 81 81 MET CB C 81 31.800 31.914 -0.114 1
1 944 . 2 1 1 A 81 81 MET N N 81 119.600 117.155 2.445 1
1 945 . 2 1 1 A 82 82 SER H H 82 7.780 7.479 0.301 1
1 946 . 2 1 1 A 82 82 SER HA H 82 4.510 4.514 -0.004 1
1 949 . 2 1 1 A 82 82 SER CA C 82 59.500 58.253 1.247 1
1 950 . 2 1 1 A 82 82 SER CB C 82 64.000 63.628 0.372 1
1 951 . 2 1 1 A 82 82 SER N N 82 114.000 112.218 1.782 1
1 952 . 2 1 1 A 83 83 GLY H H 83 7.910 8.261 -0.351 1
1 953 . 2 1 1 A 83 83 GLY HA2 H 83 3.700 3.872 -0.172 1
1 954 . 2 1 1 A 83 83 GLY HA3 H 83 4.350 3.875 0.475 1
1 955 . 2 1 1 A 83 83 GLY CA C 83 44.900 45.410 -0.510 1
1 956 . 2 1 1 A 83 83 GLY N N 83 109.400 109.698 -0.298 1
1 957 . 2 1 1 A 84 84 GLN H H 84 7.100 7.469 -0.369 1
1 958 . 2 1 1 A 84 84 GLN HA H 84 4.530 4.519 0.011 1
1 965 . 2 1 1 A 84 84 GLN CA C 84 53.100 53.286 -0.186 1
1 966 . 2 1 1 A 84 84 GLN CB C 84 29.000 28.774 0.226 1
1 968 . 2 1 1 A 84 84 GLN N N 84 120.700 120.534 0.166 1
1 970 . 2 1 1 A 85 85 PRO HA H 85 4.360 4.555 -0.195 1
1 977 . 2 1 1 A 85 85 PRO CA C 85 61.800 62.410 -0.610 1
1 978 . 2 1 1 A 85 85 PRO CB C 85 31.800 31.984 -0.184 1
1 981 . 2 1 1 A 86 86 LEU H H 86 8.360 8.341 0.019 1
1 982 . 2 1 1 A 86 86 LEU HA H 86 4.380 4.568 -0.188 1
1 992 . 2 1 1 A 86 86 LEU CA C 86 51.600 52.791 -1.191 1
1 993 . 2 1 1 A 86 86 LEU CB C 86 41.000 41.185 -0.185 1
1 997 . 2 1 1 A 86 86 LEU N N 86 121.700 123.234 -1.534 1
1 998 . 2 1 1 A 87 87 PRO HA H 87 4.740 4.626 0.114 1
1 1005 . 2 1 1 A 87 87 PRO CA C 87 60.800 61.640 -0.840 1
1 1006 . 2 1 1 A 87 87 PRO CB C 87 30.900 32.178 -1.278 1
1 1009 . 2 1 1 A 88 88 PRO HA H 88 4.330 4.371 -0.041 1
1 1016 . 2 1 1 A 88 88 PRO CA C 88 63.900 64.860 -0.960 1
1 1017 . 2 1 1 A 88 88 PRO CB C 88 31.700 32.223 -0.523 1
1 1020 . 2 1 1 A 89 89 VAL H H 89 6.840 7.306 -0.466 1
1 1021 . 2 1 1 A 89 89 VAL HA H 89 4.030 4.679 -0.649 1
1 1029 . 2 1 1 A 89 89 VAL CA C 89 59.300 59.327 -0.027 1
1 1030 . 2 1 1 A 89 89 VAL CB C 89 35.500 34.786 0.714 1
1 1033 . 2 1 1 A 89 89 VAL N N 89 112.700 110.886 1.814 1
1 1034 . 2 1 1 A 90 90 LEU H H 90 8.990 8.639 0.351 1
1 1035 . 2 1 1 A 90 90 LEU HA H 90 4.150 4.715 -0.565 1
1 1045 . 2 1 1 A 90 90 LEU CA C 90 53.500 52.401 1.099 1
1 1046 . 2 1 1 A 90 90 LEU CB C 90 42.200 43.588 -1.388 1
1 1050 . 2 1 1 A 90 90 LEU N N 90 127.800 127.461 0.339 1
1 1051 . 2 1 1 A 91 91 PRO HA H 91 4.830 4.747 0.083 1
1 1058 . 2 1 1 A 91 91 PRO CA C 91 61.100 61.666 -0.566 1
1 1059 . 2 1 1 A 91 91 PRO CB C 91 31.300 32.292 -0.992 1
1 1062 . 2 1 1 A 92 92 PRO HA H 92 4.230 4.238 -0.008 1
1 1069 . 2 1 1 A 92 92 PRO CA C 92 65.100 65.168 -0.068 1
1 1070 . 2 1 1 A 92 92 PRO CB C 92 31.800 32.061 -0.261 1
1 1073 . 2 1 1 A 93 93 GLU H H 93 10.180 8.705 1.475 1
1 1074 . 2 1 1 A 93 93 GLU HA H 93 4.300 4.137 0.163 1
1 1079 . 2 1 1 A 93 93 GLU CA C 93 58.700 59.528 -0.828 1
1 1080 . 2 1 1 A 93 93 GLU CB C 93 27.500 29.250 -1.750 1
1 1082 . 2 1 1 A 93 93 GLU N N 93 116.400 117.835 -1.435 1
1 1083 . 2 1 1 A 94 94 TYR H H 94 8.510 7.924 0.586 1
1 1084 . 2 1 1 A 94 94 TYR HA H 94 4.510 4.844 -0.334 1
1 1091 . 2 1 1 A 94 94 TYR CA C 94 60.100 58.983 1.117 1
1 1092 . 2 1 1 A 94 94 TYR CB C 94 39.600 38.857 0.743 1
1 1095 . 2 1 1 A 94 94 TYR N N 94 119.400 115.802 3.598 1
1 1096 . 2 1 1 A 95 95 ILE H H 95 7.800 7.525 0.275 1
1 1097 . 2 1 1 A 95 95 ILE HA H 95 3.940 4.240 -0.300 1
1 1107 . 2 1 1 A 95 95 ILE CA C 95 60.200 58.747 1.453 1
1 1108 . 2 1 1 A 95 95 ILE CB C 95 37.800 38.100 -0.300 1
1 1112 . 2 1 1 A 95 95 ILE N N 95 124.500 122.668 1.832 1
1 1113 . 2 1 1 A 96 96 PRO HA H 96 2.770 3.099 -0.329 1
1 1120 . 2 1 1 A 96 96 PRO CA C 96 60.700 61.280 -0.580 1
1 1121 . 2 1 1 A 96 96 PRO CB C 96 31.400 32.084 -0.684 1
1 1124 . 2 1 1 A 97 97 PRO HA H 97 3.680 4.118 -0.438 1
1 1131 . 2 1 1 A 97 97 PRO CA C 97 65.900 65.305 0.595 1
1 1132 . 2 1 1 A 97 97 PRO CB C 97 32.100 31.767 0.333 1
1 1135 . 2 1 1 A 98 98 SER H H 98 9.160 8.266 0.894 1
1 1136 . 2 1 1 A 98 98 SER HA H 98 3.980 4.398 -0.418 1
1 1139 . 2 1 1 A 98 98 SER CA C 98 60.900 59.123 1.777 1
1 1140 . 2 1 1 A 98 98 SER CB C 98 62.200 62.751 -0.551 1
1 1141 . 2 1 1 A 98 98 SER N N 98 112.400 111.725 0.675 1
1 1142 . 2 1 1 A 99 99 PHE H H 99 7.950 7.689 0.261 1
1 1143 . 2 1 1 A 99 99 PHE HA H 99 4.470 4.611 -0.141 1
1 1151 . 2 1 1 A 99 99 PHE CA C 99 58.500 58.799 -0.299 1
1 1152 . 2 1 1 A 99 99 PHE CB C 99 40.100 40.574 -0.474 1
1 1156 . 2 1 1 A 99 99 PHE N N 99 118.800 119.448 -0.648 1
1 1157 . 2 1 1 A 100 100 ARG H H 100 7.350 8.086 -0.736 1
1 1158 . 2 1 1 A 100 100 ARG HA H 100 4.270 4.202 0.068 1
1 1165 . 2 1 1 A 100 100 ARG CA C 100 56.600 57.556 -0.956 1
1 1166 . 2 1 1 A 100 100 ARG CB C 100 30.300 29.818 0.482 1
1 1169 . 2 1 1 A 100 100 ARG N N 100 120.200 117.571 2.629 1
1 1170 . 2 1 1 A 101 101 ARG H H 101 8.180 7.561 0.619 1
1 1171 . 2 1 1 A 101 101 ARG HA H 101 4.270 5.014 -0.744 1
1 1177 . 2 1 1 A 101 101 ARG CA C 101 56.700 54.944 1.756 1
1 1178 . 2 1 1 A 101 101 ARG CB C 101 30.700 32.950 -2.250 1
1 1181 . 2 1 1 A 101 101 ARG N N 101 121.100 120.582 0.518 1
1 1182 . 2 1 1 A 102 102 VAL H H 102 8.160 8.867 -0.707 1
1 1183 . 2 1 1 A 102 102 VAL HA H 102 4.080 4.856 -0.776 1
1 1191 . 2 1 1 A 102 102 VAL CA C 102 62.500 59.716 2.784 1
1 1192 . 2 1 1 A 102 102 VAL CB C 102 32.700 35.317 -2.617 1
1 1195 . 2 1 1 A 102 102 VAL N N 102 121.500 126.239 -4.739 1
1 1196 . 2 1 1 A 103 103 ARG H H 103 7.920 9.034 -1.114 1
1 1197 . 2 1 1 A 103 103 ARG HA H 103 4.160 4.644 -0.484 1
1 1204 . 2 1 1 A 103 103 ARG CA C 103 57.300 55.207 2.093 1
1 1205 . 2 1 1 A 103 103 ARG CB C 103 31.600 31.816 -0.216 1
1 1208 . 2 1 1 A 103 103 ARG N N 103 129.400 129.652 -0.252 1
1 1209 . 2 1 1 A 104 104 LEU H H 104 8.190 8.862 -0.672 1
1 1210 . 2 1 1 A 104 104 LEU N N 104 122.800 128.099 -5.299 1
1 1211 . 2 1 1 A 105 105 GLU H H 105 8.220 7.552 0.668 1
1 8 . 3 1 1 A 2 2 PRO HA H 2 4.430 4.444 -0.014 1
1 15 . 3 1 1 A 2 2 PRO CA C 2 62.800 62.902 -0.102 1
1 16 . 3 1 1 A 2 2 PRO CB C 2 31.900 31.865 0.035 1
1 19 . 3 1 1 A 3 3 VAL H H 3 8.130 8.521 -0.391 1
1 20 . 3 1 1 A 3 3 VAL HA H 3 4.030 4.107 -0.077 1
1 28 . 3 1 1 A 3 3 VAL CA C 3 62.200 62.048 0.152 1
1 29 . 3 1 1 A 3 3 VAL CB C 3 32.700 30.712 1.988 1
1 32 . 3 1 1 A 3 3 VAL N N 3 120.100 123.250 -3.150 1
1 33 . 3 1 1 A 4 4 ALA H H 4 8.330 8.101 0.229 1
1 34 . 3 1 1 A 4 4 ALA HA H 4 4.310 4.458 -0.148 1
1 38 . 3 1 1 A 4 4 ALA CA C 4 52.100 51.309 0.791 1
1 39 . 3 1 1 A 4 4 ALA CB C 4 19.400 18.319 1.081 1
1 40 . 3 1 1 A 4 4 ALA N N 4 127.300 131.249 -3.949 1
1 41 . 3 1 1 A 5 5 GLU H H 5 8.290 8.572 -0.282 1
1 42 . 3 1 1 A 5 5 GLU HA H 5 4.290 4.112 0.178 1
1 47 . 3 1 1 A 5 5 GLU CA C 5 56.100 57.391 -1.291 1
1 48 . 3 1 1 A 5 5 GLU CB C 5 30.500 28.418 2.082 1
1 50 . 3 1 1 A 5 5 GLU N N 5 121.000 112.660 8.340 1
1 51 . 3 1 1 A 6 6 TRP H H 6 8.670 8.465 0.205 1
1 52 . 3 1 1 A 6 6 TRP HA H 6 5.020 4.734 0.286 1
1 61 . 3 1 1 A 6 6 TRP CA C 6 54.500 57.810 -3.310 1
1 62 . 3 1 1 A 6 6 TRP CB C 6 30.100 28.248 1.852 1
1 68 . 3 1 1 A 6 6 TRP N N 6 124.900 123.783 1.117 1
1 70 . 3 1 1 A 7 7 ALA H H 7 7.850 8.917 -1.067 1
1 71 . 3 1 1 A 7 7 ALA HA H 7 3.790 4.165 -0.375 1
1 75 . 3 1 1 A 7 7 ALA CA C 7 53.200 52.066 1.134 1
1 76 . 3 1 1 A 7 7 ALA CB C 7 18.000 17.233 0.767 1
1 77 . 3 1 1 A 7 7 ALA N N 7 128.000 127.061 0.939 1
1 78 . 3 1 1 A 8 8 VAL H H 8 5.280 7.456 -2.176 1
1 79 . 3 1 1 A 8 8 VAL HA H 8 2.850 4.074 -1.224 1
1 87 . 3 1 1 A 8 8 VAL CA C 8 59.700 57.824 1.876 1
1 88 . 3 1 1 A 8 8 VAL CB C 8 31.600 34.025 -2.425 1
1 91 . 3 1 1 A 8 8 VAL N N 8 117.000 118.447 -1.447 1
1 92 . 3 1 1 A 9 9 PRO HA H 9 4.340 4.399 -0.059 1
1 99 . 3 1 1 A 9 9 PRO CA C 9 62.800 62.977 -0.177 1
1 100 . 3 1 1 A 9 9 PRO CB C 9 32.400 32.513 -0.113 1
1 103 . 3 1 1 A 10 10 GLN HA H 10 3.710 3.937 -0.227 1
1 110 . 3 1 1 A 10 10 GLN CA C 10 60.100 59.124 0.976 1
1 111 . 3 1 1 A 10 10 GLN CB C 10 28.000 28.581 -0.581 1
1 114 . 3 1 1 A 11 11 SER HA H 11 4.070 4.142 -0.072 1
1 117 . 3 1 1 A 11 11 SER CA C 11 61.400 61.833 -0.433 1
1 118 . 3 1 1 A 11 11 SER CB C 11 61.400 62.709 -1.309 1
1 119 . 3 1 1 A 12 12 SER H H 12 7.070 8.085 -1.015 1
1 120 . 3 1 1 A 12 12 SER HA H 12 3.990 4.090 -0.100 1
1 123 . 3 1 1 A 12 12 SER CA C 12 61.500 61.282 0.218 1
1 124 . 3 1 1 A 12 12 SER CB C 12 61.500 62.930 -1.430 1
1 125 . 3 1 1 A 12 12 SER N N 12 119.300 117.575 1.725 1
1 126 . 3 1 1 A 13 13 ARG H H 13 8.000 8.415 -0.415 1
1 127 . 3 1 1 A 13 13 ARG HA H 13 3.930 4.117 -0.187 1
1 134 . 3 1 1 A 13 13 ARG CA C 13 59.800 58.842 0.958 1
1 135 . 3 1 1 A 13 13 ARG CB C 13 30.300 29.818 0.482 1
1 138 . 3 1 1 A 13 13 ARG N N 13 121.600 120.132 1.468 1
1 139 . 3 1 1 A 14 14 LEU H H 14 7.710 8.212 -0.502 1
1 140 . 3 1 1 A 14 14 LEU HA H 14 4.120 4.081 0.039 1
1 150 . 3 1 1 A 14 14 LEU CA C 14 57.900 57.711 0.189 1
1 151 . 3 1 1 A 14 14 LEU CB C 14 41.900 41.237 0.663 1
1 155 . 3 1 1 A 14 14 LEU N N 14 117.100 120.571 -3.471 1
1 156 . 3 1 1 A 15 15 LYS H H 15 7.450 8.102 -0.652 1
1 157 . 3 1 1 A 15 15 LYS HA H 15 4.050 3.891 0.159 1
1 166 . 3 1 1 A 15 15 LYS CA C 15 59.100 59.050 0.050 1
1 167 . 3 1 1 A 15 15 LYS CB C 15 33.000 31.833 1.167 1
1 171 . 3 1 1 A 15 15 LYS N N 15 118.800 120.626 -1.826 1
1 172 . 3 1 1 A 16 16 TYR H H 16 8.640 7.584 1.056 1
1 173 . 3 1 1 A 16 16 TYR HA H 16 5.130 4.530 0.600 1
1 180 . 3 1 1 A 16 16 TYR CA C 16 58.900 61.020 -2.120 1
1 181 . 3 1 1 A 16 16 TYR CB C 16 37.100 39.034 -1.934 1
1 184 . 3 1 1 A 16 16 TYR N N 16 117.800 117.626 0.174 1
1 185 . 3 1 1 A 17 17 ARG H H 17 8.470 8.389 0.081 1
1 186 . 3 1 1 A 17 17 ARG HA H 17 4.230 4.234 -0.004 1
1 193 . 3 1 1 A 17 17 ARG CA C 17 59.700 59.300 0.400 1
1 194 . 3 1 1 A 17 17 ARG CB C 17 29.800 29.706 0.094 1
1 197 . 3 1 1 A 17 17 ARG N N 17 124.000 122.701 1.299 1
1 198 . 3 1 1 A 18 18 GLN H H 18 7.740 8.016 -0.276 1
1 199 . 3 1 1 A 18 18 GLN HA H 18 4.190 4.269 -0.079 1
1 206 . 3 1 1 A 18 18 GLN CA C 18 59.300 57.834 1.466 1
1 207 . 3 1 1 A 18 18 GLN CB C 18 27.900 28.989 -1.089 1
1 209 . 3 1 1 A 18 18 GLN N N 18 118.000 117.144 0.856 1
1 211 . 3 1 1 A 19 19 LEU H H 19 7.770 7.905 -0.135 1
1 212 . 3 1 1 A 19 19 LEU HA H 19 4.400 4.618 -0.218 1
1 222 . 3 1 1 A 19 19 LEU CA C 19 58.000 54.029 3.971 1
1 223 . 3 1 1 A 19 19 LEU CB C 19 42.800 42.990 -0.190 1
1 227 . 3 1 1 A 19 19 LEU N N 19 120.500 121.305 -0.805 1
1 228 . 3 1 1 A 20 20 PHE H H 20 8.710 7.991 0.719 1
1 229 . 3 1 1 A 20 20 PHE HA H 20 3.330 3.680 -0.350 1
1 237 . 3 1 1 A 20 20 PHE CA C 20 62.400 62.211 0.189 1
1 238 . 3 1 1 A 20 20 PHE CB C 20 38.500 39.204 -0.704 1
1 242 . 3 1 1 A 20 20 PHE N N 20 121.900 121.965 -0.065 1
1 243 . 3 1 1 A 21 21 ASN H H 21 8.770 9.179 -0.409 1
1 244 . 3 1 1 A 21 21 ASN HA H 21 4.380 4.450 -0.070 1
1 249 . 3 1 1 A 21 21 ASN CA C 21 55.400 56.568 -1.168 1
1 250 . 3 1 1 A 21 21 ASN CB C 21 37.600 39.047 -1.447 1
1 251 . 3 1 1 A 21 21 ASN N N 21 117.300 117.551 -0.251 1
1 253 . 3 1 1 A 22 22 SER H H 22 7.900 8.912 -1.012 1
1 254 . 3 1 1 A 22 22 SER HA H 22 4.180 4.248 -0.068 1
1 257 . 3 1 1 A 22 22 SER CA C 22 60.700 60.634 0.066 1
1 258 . 3 1 1 A 22 22 SER CB C 22 62.900 63.052 -0.152 1
1 259 . 3 1 1 A 22 22 SER N N 22 114.800 115.328 -0.528 1
1 260 . 3 1 1 A 23 23 HIS H H 23 7.310 8.079 -0.769 1
1 261 . 3 1 1 A 23 23 HIS HA H 23 4.480 4.569 -0.089 1
1 266 . 3 1 1 A 23 23 HIS CA C 23 58.000 56.028 1.972 1
1 267 . 3 1 1 A 23 23 HIS CB C 23 32.400 30.191 2.209 1
1 270 . 3 1 1 A 23 23 HIS N N 23 118.900 118.731 0.169 1
1 271 . 3 1 1 A 24 24 ASP H H 24 7.870 7.739 0.131 1
1 272 . 3 1 1 A 24 24 ASP HA H 24 4.850 4.414 0.436 1
1 275 . 3 1 1 A 24 24 ASP CA C 24 52.100 52.918 -0.818 1
1 276 . 3 1 1 A 24 24 ASP CB C 24 38.500 42.418 -3.918 1
1 277 . 3 1 1 A 24 24 ASP N N 24 122.400 121.455 0.945 1
1 278 . 3 1 1 A 25 25 LYS H H 25 7.900 8.687 -0.787 1
1 279 . 3 1 1 A 25 25 LYS HA H 25 4.070 4.484 -0.414 1
1 288 . 3 1 1 A 25 25 LYS CA C 25 58.600 56.778 1.822 1
1 289 . 3 1 1 A 25 25 LYS CB C 25 32.600 33.674 -1.074 1
1 293 . 3 1 1 A 25 25 LYS N N 25 122.400 120.570 1.830 1
1 294 . 3 1 1 A 26 26 THR H H 26 8.120 7.535 0.585 1
1 295 . 3 1 1 A 26 26 THR HA H 26 4.340 4.540 -0.200 1
1 300 . 3 1 1 A 26 26 THR CA C 26 61.000 61.390 -0.390 1
1 301 . 3 1 1 A 26 26 THR CB C 26 69.100 71.072 -1.972 1
1 303 . 3 1 1 A 26 26 THR N N 26 106.400 112.423 -6.023 1
1 304 . 3 1 1 A 27 27 MET H H 27 8.030 9.235 -1.205 1
1 305 . 3 1 1 A 27 27 MET HA H 27 3.980 4.420 -0.440 1
1 310 . 3 1 1 A 27 27 MET CA C 27 56.600 55.850 0.750 1
1 311 . 3 1 1 A 27 27 MET CB C 27 29.100 32.053 -2.953 1
1 313 . 3 1 1 A 27 27 MET N N 27 119.600 127.479 -7.879 1
1 314 . 3 1 1 A 28 28 SER H H 28 9.520 8.929 0.591 1
1 315 . 3 1 1 A 28 28 SER HA H 28 4.250 3.926 0.324 1
1 318 . 3 1 1 A 28 28 SER CA C 28 60.500 60.834 -0.334 1
1 319 . 3 1 1 A 28 28 SER CB C 28 64.400 61.025 3.375 1
1 320 . 3 1 1 A 28 28 SER N N 28 118.600 115.687 2.913 1
1 321 . 3 1 1 A 29 29 GLY H H 29 10.710 8.828 1.882 1
1 322 . 3 1 1 A 29 29 GLY HA2 H 29 4.380 3.886 0.494 1
1 323 . 3 1 1 A 29 29 GLY HA3 H 29 3.690 3.980 -0.290 1
1 324 . 3 1 1 A 29 29 GLY CA C 29 45.200 45.697 -0.497 1
1 325 . 3 1 1 A 29 29 GLY N N 29 113.800 109.460 4.340 1
1 326 . 3 1 1 A 30 30 HIS H H 30 7.870 7.374 0.496 1
1 327 . 3 1 1 A 30 30 HIS HA H 30 5.520 5.418 0.102 1
1 332 . 3 1 1 A 30 30 HIS CA C 30 55.800 54.176 1.624 1
1 333 . 3 1 1 A 30 30 HIS CB C 30 32.800 32.426 0.374 1
1 336 . 3 1 1 A 30 30 HIS N N 30 115.700 114.357 1.343 1
1 337 . 3 1 1 A 31 31 LEU H H 31 9.140 9.981 -0.841 1
1 338 . 3 1 1 A 31 31 LEU HA H 31 4.840 5.136 -0.296 1
1 348 . 3 1 1 A 31 31 LEU CA C 31 52.900 53.532 -0.632 1
1 349 . 3 1 1 A 31 31 LEU CB C 31 44.200 44.973 -0.773 1
1 353 . 3 1 1 A 31 31 LEU N N 31 117.200 120.301 -3.101 1
1 354 . 3 1 1 A 32 32 THR H H 32 8.680 8.786 -0.106 1
1 355 . 3 1 1 A 32 32 THR HA H 32 4.340 4.792 -0.452 1
1 360 . 3 1 1 A 32 32 THR CA C 32 61.500 60.625 0.875 1
1 361 . 3 1 1 A 32 32 THR CB C 32 70.200 71.587 -1.387 1
1 363 . 3 1 1 A 32 32 THR N N 32 113.400 114.312 -0.912 1
1 364 . 3 1 1 A 33 33 GLY H H 33 9.090 8.580 0.510 1
1 365 . 3 1 1 A 33 33 GLY HA2 H 33 3.970 3.811 0.159 1
1 366 . 3 1 1 A 33 33 GLY HA3 H 33 4.070 4.069 0.001 1
1 367 . 3 1 1 A 33 33 GLY CA C 33 49.300 48.297 1.003 1
1 368 . 3 1 1 A 33 33 GLY N N 33 108.000 109.614 -1.614 1
1 369 . 3 1 1 A 34 34 PRO HA H 34 4.110 4.208 -0.098 1
1 376 . 3 1 1 A 34 34 PRO CA C 34 65.400 65.518 -0.118 1
1 377 . 3 1 1 A 34 34 PRO CB C 34 32.200 31.044 1.156 1
1 380 . 3 1 1 A 35 35 GLN H H 35 7.240 8.177 -0.937 1
1 381 . 3 1 1 A 35 35 GLN HA H 35 4.040 4.071 -0.031 1
1 388 . 3 1 1 A 35 35 GLN CA C 35 58.200 59.282 -1.082 1
1 389 . 3 1 1 A 35 35 GLN CB C 35 29.800 28.266 1.534 1
1 391 . 3 1 1 A 35 35 GLN N N 35 116.700 117.517 -0.817 1
1 393 . 3 1 1 A 36 36 ALA H H 36 9.180 8.757 0.423 1
1 394 . 3 1 1 A 36 36 ALA HA H 36 4.080 4.536 -0.456 1
1 398 . 3 1 1 A 36 36 ALA CA C 36 54.900 55.629 -0.729 1
1 399 . 3 1 1 A 36 36 ALA CB C 36 18.900 18.715 0.185 1
1 400 . 3 1 1 A 36 36 ALA N N 36 120.000 122.404 -2.404 1
1 401 . 3 1 1 A 37 37 ARG H H 37 9.060 8.854 0.206 1
1 402 . 3 1 1 A 37 37 ARG HA H 37 3.860 4.059 -0.199 1
1 409 . 3 1 1 A 37 37 ARG CA C 37 61.000 59.394 1.606 1
1 410 . 3 1 1 A 37 37 ARG CB C 37 29.900 29.902 -0.002 1
1 413 . 3 1 1 A 37 37 ARG N N 37 117.200 117.629 -0.429 1
1 414 . 3 1 1 A 38 38 THR H H 38 7.620 8.044 -0.424 1
1 415 . 3 1 1 A 38 38 THR HA H 38 3.920 3.949 -0.029 1
1 420 . 3 1 1 A 38 38 THR CA C 38 66.900 67.143 -0.243 1
1 421 . 3 1 1 A 38 38 THR CB C 38 68.800 68.601 0.199 1
1 423 . 3 1 1 A 38 38 THR N N 38 114.600 117.411 -2.811 1
1 424 . 3 1 1 A 39 39 ILE H H 39 7.180 7.553 -0.373 1
1 425 . 3 1 1 A 39 39 ILE HA H 39 3.730 3.826 -0.096 1
1 435 . 3 1 1 A 39 39 ILE CA C 39 64.900 64.137 0.763 1
1 436 . 3 1 1 A 39 39 ILE CB C 39 39.000 37.953 1.047 1
1 440 . 3 1 1 A 39 39 ILE N N 39 121.500 121.629 -0.129 1
1 441 . 3 1 1 A 40 40 LEU H H 40 8.480 8.588 -0.108 1
1 442 . 3 1 1 A 40 40 LEU HA H 40 3.870 3.920 -0.050 1
1 452 . 3 1 1 A 40 40 LEU CA C 40 58.500 57.921 0.579 1
1 453 . 3 1 1 A 40 40 LEU CB C 40 40.800 41.436 -0.636 1
1 457 . 3 1 1 A 40 40 LEU N N 40 119.900 119.844 0.056 1
1 458 . 3 1 1 A 41 41 MET H H 41 8.160 8.551 -0.391 1
1 459 . 3 1 1 A 41 41 MET HA H 41 4.200 4.219 -0.019 1
1 464 . 3 1 1 A 41 41 MET CA C 41 57.700 57.696 0.004 1
1 465 . 3 1 1 A 41 41 MET CB C 41 32.500 32.117 0.383 1
1 467 . 3 1 1 A 41 41 MET N N 41 115.300 117.792 -2.492 1
1 468 . 3 1 1 A 42 42 GLN H H 42 7.600 7.658 -0.058 1
1 469 . 3 1 1 A 42 42 GLN HA H 42 4.230 4.292 -0.062 1
1 476 . 3 1 1 A 42 42 GLN CA C 42 57.200 57.119 0.081 1
1 477 . 3 1 1 A 42 42 GLN CB C 42 27.900 28.243 -0.343 1
1 479 . 3 1 1 A 42 42 GLN N N 42 118.900 118.453 0.447 1
1 481 . 3 1 1 A 43 43 SER H H 43 7.670 7.526 0.144 1
1 482 . 3 1 1 A 43 43 SER HA H 43 4.300 4.383 -0.083 1
1 485 . 3 1 1 A 43 43 SER CA C 43 59.800 58.981 0.819 1
1 486 . 3 1 1 A 43 43 SER CB C 43 65.200 64.076 1.124 1
1 487 . 3 1 1 A 43 43 SER N N 43 113.900 113.707 0.193 1
1 488 . 3 1 1 A 44 44 SER H H 44 8.040 7.590 0.450 1
1 489 . 3 1 1 A 44 44 SER HA H 44 4.300 4.203 0.097 1
1 492 . 3 1 1 A 44 44 SER CA C 44 59.400 59.745 -0.345 1
1 493 . 3 1 1 A 44 44 SER CB C 44 62.500 61.285 1.215 1
1 494 . 3 1 1 A 44 44 SER N N 44 113.500 112.923 0.577 1
1 495 . 3 1 1 A 45 45 LEU H H 45 7.430 7.386 0.044 1
1 496 . 3 1 1 A 45 45 LEU HA H 45 4.470 4.574 -0.104 1
1 506 . 3 1 1 A 45 45 LEU CA C 45 53.300 52.658 0.642 1
1 507 . 3 1 1 A 45 45 LEU CB C 45 41.700 41.812 -0.112 1
1 511 . 3 1 1 A 45 45 LEU N N 45 121.900 121.902 -0.002 1
1 512 . 3 1 1 A 46 46 PRO HA H 46 4.460 4.583 -0.123 1
1 519 . 3 1 1 A 46 46 PRO CA C 46 62.500 62.461 0.039 1
1 520 . 3 1 1 A 46 46 PRO CB C 46 32.500 32.605 -0.105 1
1 523 . 3 1 1 A 47 47 GLN H H 47 8.820 9.015 -0.195 1
1 524 . 3 1 1 A 47 47 GLN HA H 47 3.870 3.960 -0.090 1
1 531 . 3 1 1 A 47 47 GLN CA C 47 59.600 59.082 0.518 1
1 532 . 3 1 1 A 47 47 GLN CB C 47 28.100 28.287 -0.187 1
1 534 . 3 1 1 A 47 47 GLN N N 47 123.400 122.376 1.024 1
1 536 . 3 1 1 A 48 48 ALA H H 48 9.000 8.291 0.709 1
1 537 . 3 1 1 A 48 48 ALA HA H 48 4.150 4.074 0.076 1
1 541 . 3 1 1 A 48 48 ALA CA C 48 55.200 55.271 -0.071 1
1 542 . 3 1 1 A 48 48 ALA CB C 48 18.200 18.204 -0.004 1
1 543 . 3 1 1 A 48 48 ALA N N 48 119.800 122.100 -2.300 1
1 544 . 3 1 1 A 49 49 GLN H H 49 7.190 8.263 -1.073 1
1 545 . 3 1 1 A 49 49 GLN HA H 49 4.230 4.017 0.213 1
1 552 . 3 1 1 A 49 49 GLN CA C 49 58.600 58.732 -0.132 1
1 553 . 3 1 1 A 49 49 GLN CB C 49 29.400 28.383 1.017 1
1 555 . 3 1 1 A 49 49 GLN N N 49 115.800 117.023 -1.223 1
1 557 . 3 1 1 A 50 50 LEU H H 50 7.800 8.265 -0.465 1
1 558 . 3 1 1 A 50 50 LEU HA H 50 3.930 4.046 -0.116 1
1 568 . 3 1 1 A 50 50 LEU CA C 50 57.900 57.937 -0.037 1
1 569 . 3 1 1 A 50 50 LEU CB C 50 41.100 41.280 -0.180 1
1 573 . 3 1 1 A 50 50 LEU N N 50 119.800 120.685 -0.885 1
1 574 . 3 1 1 A 51 51 ALA H H 51 8.410 8.536 -0.126 1
1 575 . 3 1 1 A 51 51 ALA HA H 51 4.210 4.020 0.190 1
1 579 . 3 1 1 A 51 51 ALA CA C 51 55.100 55.208 -0.108 1
1 580 . 3 1 1 A 51 51 ALA CB C 51 17.500 17.872 -0.372 1
1 581 . 3 1 1 A 51 51 ALA N N 51 122.600 123.114 -0.514 1
1 582 . 3 1 1 A 52 52 SER H H 52 7.530 7.573 -0.043 1
1 583 . 3 1 1 A 52 52 SER HA H 52 4.310 4.231 0.079 1
1 586 . 3 1 1 A 52 52 SER CA C 52 62.200 61.573 0.627 1
1 587 . 3 1 1 A 52 52 SER CB C 52 62.600 63.041 -0.441 1
1 588 . 3 1 1 A 52 52 SER N N 52 115.300 113.474 1.826 1
1 589 . 3 1 1 A 53 53 ILE H H 53 8.270 8.242 0.028 1
1 590 . 3 1 1 A 53 53 ILE HA H 53 3.430 3.663 -0.233 1
1 600 . 3 1 1 A 53 53 ILE CA C 53 66.300 65.153 1.147 1
1 601 . 3 1 1 A 53 53 ILE CB C 53 37.900 37.633 0.267 1
1 605 . 3 1 1 A 53 53 ILE N N 53 122.000 121.546 0.454 1
1 606 . 3 1 1 A 54 54 TRP H H 54 8.480 8.323 0.157 1
1 607 . 3 1 1 A 54 54 TRP HA H 54 3.720 4.086 -0.366 1
1 616 . 3 1 1 A 54 54 TRP CA C 54 61.400 60.565 0.835 1
1 617 . 3 1 1 A 54 54 TRP CB C 54 28.100 29.483 -1.383 1
1 623 . 3 1 1 A 54 54 TRP N N 54 122.100 122.154 -0.054 1
1 625 . 3 1 1 A 55 55 ASN H H 55 7.860 8.479 -0.619 1
1 626 . 3 1 1 A 55 55 ASN HA H 55 4.350 4.561 -0.211 1
1 631 . 3 1 1 A 55 55 ASN CA C 55 55.900 56.461 -0.561 1
1 632 . 3 1 1 A 55 55 ASN CB C 55 38.500 40.036 -1.536 1
1 633 . 3 1 1 A 55 55 ASN N N 55 113.900 118.101 -4.201 1
1 635 . 3 1 1 A 56 56 LEU H H 56 8.020 7.828 0.192 1
1 636 . 3 1 1 A 56 56 LEU HA H 56 3.990 4.050 -0.060 1
1 646 . 3 1 1 A 56 56 LEU CA C 56 56.700 57.398 -0.698 1
1 647 . 3 1 1 A 56 56 LEU CB C 56 43.900 41.629 2.271 1
1 651 . 3 1 1 A 56 56 LEU N N 56 117.500 118.745 -1.245 1
1 652 . 3 1 1 A 57 57 SER H H 57 7.280 7.490 -0.210 1
1 653 . 3 1 1 A 57 57 SER HA H 57 4.290 4.368 -0.078 1
1 656 . 3 1 1 A 57 57 SER CA C 57 61.100 58.563 2.537 1
1 657 . 3 1 1 A 57 57 SER CB C 57 64.000 63.894 0.106 1
1 658 . 3 1 1 A 57 57 SER N N 57 111.100 112.402 -1.302 1
1 659 . 3 1 1 A 58 58 ASP H H 58 7.030 7.898 -0.868 1
1 660 . 3 1 1 A 58 58 ASP HA H 58 4.650 4.294 0.356 1
1 663 . 3 1 1 A 58 58 ASP CA C 58 51.400 53.338 -1.938 1
1 664 . 3 1 1 A 58 58 ASP CB C 58 37.200 40.770 -3.570 1
1 665 . 3 1 1 A 58 58 ASP N N 58 115.600 120.461 -4.861 1
1 666 . 3 1 1 A 59 59 ILE H H 59 8.630 7.708 0.922 1
1 667 . 3 1 1 A 59 59 ILE HA H 59 3.260 3.778 -0.518 1
1 677 . 3 1 1 A 59 59 ILE CA C 59 62.900 64.852 -1.952 1
1 678 . 3 1 1 A 59 59 ILE CB C 59 36.600 38.211 -1.611 1
1 682 . 3 1 1 A 59 59 ILE N N 59 128.500 125.759 2.741 1
1 683 . 3 1 1 A 60 60 ASP H H 60 7.960 7.884 0.076 1
1 684 . 3 1 1 A 60 60 ASP HA H 60 4.480 4.598 -0.118 1
1 687 . 3 1 1 A 60 60 ASP CA C 60 52.300 53.412 -1.112 1
1 688 . 3 1 1 A 60 60 ASP CB C 60 39.100 40.559 -1.459 1
1 689 . 3 1 1 A 60 60 ASP N N 60 113.200 117.309 -4.109 1
1 690 . 3 1 1 A 61 61 GLN H H 61 7.550 7.662 -0.112 1
1 691 . 3 1 1 A 61 61 GLN HA H 61 3.800 4.167 -0.367 1
1 698 . 3 1 1 A 61 61 GLN CA C 61 57.100 56.693 0.407 1
1 699 . 3 1 1 A 61 61 GLN CB C 61 26.400 26.840 -0.440 1
1 701 . 3 1 1 A 61 61 GLN N N 61 113.800 115.163 -1.363 1
1 703 . 3 1 1 A 62 62 ASP H H 62 8.390 8.075 0.315 1
1 704 . 3 1 1 A 62 62 ASP HA H 62 4.720 4.812 -0.092 1
1 707 . 3 1 1 A 62 62 ASP CA C 62 52.800 55.771 -2.971 1
1 708 . 3 1 1 A 62 62 ASP CB C 62 41.000 43.922 -2.922 1
1 709 . 3 1 1 A 62 62 ASP N N 62 117.700 120.458 -2.758 1
1 710 . 3 1 1 A 63 63 GLY H H 63 10.840 7.996 2.844 1
1 711 . 3 1 1 A 63 63 GLY HA2 H 63 4.310 4.239 0.071 1
1 712 . 3 1 1 A 63 63 GLY HA3 H 63 3.880 4.639 -0.759 1
1 713 . 3 1 1 A 63 63 GLY CA C 63 46.200 45.223 0.977 1
1 714 . 3 1 1 A 63 63 GLY N N 63 114.200 107.368 6.832 1
1 715 . 3 1 1 A 64 64 LYS H H 64 8.070 7.893 0.177 1
1 716 . 3 1 1 A 64 64 LYS HA H 64 5.030 4.880 0.150 1
1 725 . 3 1 1 A 64 64 LYS CA C 64 54.200 54.554 -0.354 1
1 726 . 3 1 1 A 64 64 LYS CB C 64 36.100 35.074 1.026 1
1 730 . 3 1 1 A 64 64 LYS N N 64 117.400 120.152 -2.752 1
1 731 . 3 1 1 A 65 65 LEU H H 65 8.990 9.539 -0.549 1
1 732 . 3 1 1 A 65 65 LEU HA H 65 5.750 4.862 0.888 1
1 742 . 3 1 1 A 65 65 LEU CA C 65 52.900 53.537 -0.637 1
1 743 . 3 1 1 A 65 65 LEU CB C 65 43.600 43.302 0.298 1
1 747 . 3 1 1 A 65 65 LEU N N 65 120.700 124.917 -4.217 1
1 748 . 3 1 1 A 66 66 THR H H 66 10.210 9.307 0.903 1
1 749 . 3 1 1 A 66 66 THR HA H 66 4.910 4.756 0.154 1
1 754 . 3 1 1 A 66 66 THR CA C 66 60.900 60.890 0.010 1
1 755 . 3 1 1 A 66 66 THR CB C 66 71.200 71.117 0.083 1
1 757 . 3 1 1 A 66 66 THR N N 66 116.300 118.071 -1.771 1
1 758 . 3 1 1 A 67 67 ALA H H 67 8.350 8.235 0.115 1
1 759 . 3 1 1 A 67 67 ALA HA H 67 2.620 3.309 -0.689 1
1 763 . 3 1 1 A 67 67 ALA CA C 67 56.200 55.138 1.062 1
1 764 . 3 1 1 A 67 67 ALA CB C 67 18.000 17.563 0.437 1
1 765 . 3 1 1 A 67 67 ALA N N 67 122.000 123.630 -1.630 1
1 766 . 3 1 1 A 68 68 GLU H H 68 8.160 8.252 -0.092 1
1 767 . 3 1 1 A 68 68 GLU HA H 68 4.180 4.216 -0.036 1
1 772 . 3 1 1 A 68 68 GLU CA C 68 60.500 59.217 1.283 1
1 773 . 3 1 1 A 68 68 GLU CB C 68 30.500 29.125 1.375 1
1 775 . 3 1 1 A 68 68 GLU N N 68 112.200 116.583 -4.383 1
1 776 . 3 1 1 A 69 69 GLU H H 69 7.280 7.311 -0.031 1
1 777 . 3 1 1 A 69 69 GLU HA H 69 4.030 3.845 0.185 1
1 782 . 3 1 1 A 69 69 GLU CA C 69 60.100 58.732 1.368 1
1 783 . 3 1 1 A 69 69 GLU CB C 69 31.800 29.380 2.420 1
1 785 . 3 1 1 A 69 69 GLU N N 69 117.400 120.168 -2.768 1
1 786 . 3 1 1 A 70 70 PHE H H 70 8.940 8.294 0.646 1
1 787 . 3 1 1 A 70 70 PHE HA H 70 4.130 4.028 0.102 1
1 795 . 3 1 1 A 70 70 PHE CA C 70 61.900 61.493 0.407 1
1 796 . 3 1 1 A 70 70 PHE CB C 70 39.900 39.295 0.605 1
1 800 . 3 1 1 A 70 70 PHE N N 70 119.000 121.964 -2.964 1
1 801 . 3 1 1 A 71 71 ILE H H 71 8.890 8.295 0.595 1
1 802 . 3 1 1 A 71 71 ILE HA H 71 3.380 3.807 -0.427 1
1 812 . 3 1 1 A 71 71 ILE CA C 71 65.800 65.540 0.260 1
1 813 . 3 1 1 A 71 71 ILE CB C 71 39.100 37.921 1.179 1
1 817 . 3 1 1 A 71 71 ILE N N 71 119.800 120.716 -0.916 1
1 818 . 3 1 1 A 72 72 LEU H H 72 7.810 8.095 -0.285 1
1 819 . 3 1 1 A 72 72 LEU HA H 72 4.040 4.079 -0.039 1
1 829 . 3 1 1 A 72 72 LEU CA C 72 58.300 58.078 0.222 1
1 830 . 3 1 1 A 72 72 LEU CB C 72 42.600 41.689 0.911 1
1 834 . 3 1 1 A 72 72 LEU N N 72 118.100 121.183 -3.083 1
1 835 . 3 1 1 A 73 73 ALA H H 73 8.340 8.352 -0.012 1
1 836 . 3 1 1 A 73 73 ALA HA H 73 3.820 3.919 -0.099 1
1 840 . 3 1 1 A 73 73 ALA CA C 73 55.600 55.306 0.294 1
1 841 . 3 1 1 A 73 73 ALA CB C 73 17.600 18.172 -0.572 1
1 842 . 3 1 1 A 73 73 ALA N N 73 122.000 120.813 1.187 1
1 843 . 3 1 1 A 74 74 MET H H 74 7.840 8.162 -0.322 1
1 844 . 3 1 1 A 74 74 MET HA H 74 3.830 3.778 0.052 1
1 852 . 3 1 1 A 74 74 MET CA C 74 55.400 58.223 -2.823 1
1 853 . 3 1 1 A 74 74 MET CB C 74 27.800 31.402 -3.602 1
1 856 . 3 1 1 A 74 74 MET N N 74 113.400 116.441 -3.041 1
1 857 . 3 1 1 A 75 75 HIS H H 75 8.340 7.838 0.502 1
1 858 . 3 1 1 A 75 75 HIS HA H 75 4.510 4.249 0.261 1
1 863 . 3 1 1 A 75 75 HIS CA C 75 60.000 59.257 0.743 1
1 864 . 3 1 1 A 75 75 HIS CB C 75 31.400 29.751 1.649 1
1 867 . 3 1 1 A 75 75 HIS N N 75 120.200 120.610 -0.410 1
1 868 . 3 1 1 A 76 76 LEU H H 76 8.750 7.995 0.755 1
1 869 . 3 1 1 A 76 76 LEU HA H 76 3.670 3.677 -0.007 1
1 879 . 3 1 1 A 76 76 LEU CA C 76 57.700 57.523 0.177 1
1 880 . 3 1 1 A 76 76 LEU CB C 76 41.400 41.261 0.139 1
1 884 . 3 1 1 A 76 76 LEU N N 76 118.600 119.069 -0.469 1
1 885 . 3 1 1 A 77 77 ILE H H 77 7.980 8.219 -0.239 1
1 886 . 3 1 1 A 77 77 ILE HA H 77 3.470 3.384 0.086 1
1 896 . 3 1 1 A 77 77 ILE CA C 77 66.000 64.520 1.480 1
1 897 . 3 1 1 A 77 77 ILE CB C 77 36.500 37.202 -0.702 1
1 901 . 3 1 1 A 77 77 ILE N N 77 120.900 120.189 0.711 1
1 902 . 3 1 1 A 78 78 ASP H H 78 7.490 8.061 -0.571 1
1 903 . 3 1 1 A 78 78 ASP HA H 78 4.300 4.230 0.070 1
1 906 . 3 1 1 A 78 78 ASP CA C 78 57.900 57.377 0.523 1
1 907 . 3 1 1 A 78 78 ASP CB C 78 39.000 41.486 -2.486 1
1 908 . 3 1 1 A 78 78 ASP N N 78 121.500 120.308 1.192 1
1 909 . 3 1 1 A 79 79 VAL H H 79 8.380 7.886 0.494 1
1 910 . 3 1 1 A 79 79 VAL HA H 79 3.390 3.480 -0.090 1
1 918 . 3 1 1 A 79 79 VAL CA C 79 66.400 66.591 -0.191 1
1 919 . 3 1 1 A 79 79 VAL CB C 79 31.700 31.393 0.307 1
1 922 . 3 1 1 A 79 79 VAL N N 79 122.400 118.885 3.515 1
1 923 . 3 1 1 A 80 80 ALA H H 80 8.730 8.365 0.365 1
1 924 . 3 1 1 A 80 80 ALA HA H 80 4.360 4.128 0.232 1
1 928 . 3 1 1 A 80 80 ALA CA C 80 54.800 55.525 -0.725 1
1 929 . 3 1 1 A 80 80 ALA CB C 80 18.100 17.788 0.312 1
1 930 . 3 1 1 A 80 80 ALA N N 80 125.200 121.286 3.914 1
1 931 . 3 1 1 A 81 81 MET H H 81 9.360 8.554 0.806 1
1 932 . 3 1 1 A 81 81 MET HA H 81 4.210 4.114 0.096 1
1 940 . 3 1 1 A 81 81 MET CA C 81 57.800 58.297 -0.497 1
1 941 . 3 1 1 A 81 81 MET CB C 81 31.800 32.412 -0.612 1
1 944 . 3 1 1 A 81 81 MET N N 81 119.600 119.148 0.452 1
1 945 . 3 1 1 A 82 82 SER H H 82 7.780 7.633 0.147 1
1 946 . 3 1 1 A 82 82 SER HA H 82 4.510 4.543 -0.033 1
1 949 . 3 1 1 A 82 82 SER CA C 82 59.500 58.696 0.804 1
1 950 . 3 1 1 A 82 82 SER CB C 82 64.000 63.896 0.104 1
1 951 . 3 1 1 A 82 82 SER N N 82 114.000 112.148 1.852 1
1 952 . 3 1 1 A 83 83 GLY H H 83 7.910 8.067 -0.157 1
1 953 . 3 1 1 A 83 83 GLY HA2 H 83 3.700 3.888 -0.188 1
1 954 . 3 1 1 A 83 83 GLY HA3 H 83 4.350 3.892 0.458 1
1 955 . 3 1 1 A 83 83 GLY CA C 83 44.900 45.588 -0.688 1
1 956 . 3 1 1 A 83 83 GLY N N 83 109.400 109.926 -0.526 1
1 957 . 3 1 1 A 84 84 GLN H H 84 7.100 7.754 -0.654 1
1 958 . 3 1 1 A 84 84 GLN HA H 84 4.530 4.584 -0.054 1
1 965 . 3 1 1 A 84 84 GLN CA C 84 53.100 52.884 0.216 1
1 966 . 3 1 1 A 84 84 GLN CB C 84 29.000 29.094 -0.094 1
1 968 . 3 1 1 A 84 84 GLN N N 84 120.700 120.781 -0.081 1
1 970 . 3 1 1 A 85 85 PRO HA H 85 4.360 4.612 -0.252 1
1 977 . 3 1 1 A 85 85 PRO CA C 85 61.800 62.264 -0.464 1
1 978 . 3 1 1 A 85 85 PRO CB C 85 31.800 32.449 -0.649 1
1 981 . 3 1 1 A 86 86 LEU H H 86 8.360 8.336 0.024 1
1 982 . 3 1 1 A 86 86 LEU HA H 86 4.380 4.601 -0.221 1
1 992 . 3 1 1 A 86 86 LEU CA C 86 51.600 52.679 -1.079 1
1 993 . 3 1 1 A 86 86 LEU CB C 86 41.000 41.119 -0.119 1
1 997 . 3 1 1 A 86 86 LEU N N 86 121.700 121.998 -0.298 1
1 998 . 3 1 1 A 87 87 PRO HA H 87 4.740 4.623 0.117 1
1 1005 . 3 1 1 A 87 87 PRO CA C 87 60.800 61.690 -0.890 1
1 1006 . 3 1 1 A 87 87 PRO CB C 87 30.900 32.311 -1.411 1
1 1009 . 3 1 1 A 88 88 PRO HA H 88 4.330 4.352 -0.022 1
1 1016 . 3 1 1 A 88 88 PRO CA C 88 63.900 64.965 -1.065 1
1 1017 . 3 1 1 A 88 88 PRO CB C 88 31.700 32.114 -0.414 1
1 1020 . 3 1 1 A 89 89 VAL H H 89 6.840 7.587 -0.747 1
1 1021 . 3 1 1 A 89 89 VAL HA H 89 4.030 4.747 -0.717 1
1 1029 . 3 1 1 A 89 89 VAL CA C 89 59.300 60.277 -0.977 1
1 1030 . 3 1 1 A 89 89 VAL CB C 89 35.500 36.233 -0.733 1
1 1033 . 3 1 1 A 89 89 VAL N N 89 112.700 116.679 -3.979 1
1 1034 . 3 1 1 A 90 90 LEU H H 90 8.990 8.415 0.575 1
1 1035 . 3 1 1 A 90 90 LEU HA H 90 4.150 4.636 -0.486 1
1 1045 . 3 1 1 A 90 90 LEU CA C 90 53.500 52.577 0.923 1
1 1046 . 3 1 1 A 90 90 LEU CB C 90 42.200 43.307 -1.107 1
1 1050 . 3 1 1 A 90 90 LEU N N 90 127.800 126.307 1.493 1
1 1051 . 3 1 1 A 91 91 PRO HA H 91 4.830 4.780 0.050 1
1 1058 . 3 1 1 A 91 91 PRO CA C 91 61.100 61.649 -0.549 1
1 1059 . 3 1 1 A 91 91 PRO CB C 91 31.300 32.083 -0.783 1
1 1062 . 3 1 1 A 92 92 PRO HA H 92 4.230 4.222 0.008 1
1 1069 . 3 1 1 A 92 92 PRO CA C 92 65.100 65.213 -0.113 1
1 1070 . 3 1 1 A 92 92 PRO CB C 92 31.800 32.042 -0.242 1
1 1073 . 3 1 1 A 93 93 GLU H H 93 10.180 8.834 1.346 1
1 1074 . 3 1 1 A 93 93 GLU HA H 93 4.300 4.135 0.165 1
1 1079 . 3 1 1 A 93 93 GLU CA C 93 58.700 59.275 -0.575 1
1 1080 . 3 1 1 A 93 93 GLU CB C 93 27.500 28.799 -1.299 1
1 1082 . 3 1 1 A 93 93 GLU N N 93 116.400 117.229 -0.829 1
1 1083 . 3 1 1 A 94 94 TYR H H 94 8.510 8.047 0.463 1
1 1084 . 3 1 1 A 94 94 TYR HA H 94 4.510 4.760 -0.250 1
1 1091 . 3 1 1 A 94 94 TYR CA C 94 60.100 58.971 1.129 1
1 1092 . 3 1 1 A 94 94 TYR CB C 94 39.600 38.777 0.823 1
1 1095 . 3 1 1 A 94 94 TYR N N 94 119.400 115.704 3.696 1
1 1096 . 3 1 1 A 95 95 ILE H H 95 7.800 7.413 0.387 1
1 1097 . 3 1 1 A 95 95 ILE HA H 95 3.940 4.328 -0.388 1
1 1107 . 3 1 1 A 95 95 ILE CA C 95 60.200 58.591 1.609 1
1 1108 . 3 1 1 A 95 95 ILE CB C 95 37.800 38.048 -0.248 1
1 1112 . 3 1 1 A 95 95 ILE N N 95 124.500 121.890 2.610 1
1 1113 . 3 1 1 A 96 96 PRO HA H 96 2.770 4.090 -1.320 1
1 1120 . 3 1 1 A 96 96 PRO CA C 96 60.700 61.142 -0.442 1
1 1121 . 3 1 1 A 96 96 PRO CB C 96 31.400 31.282 0.118 1
1 1124 . 3 1 1 A 97 97 PRO HA H 97 3.680 4.056 -0.376 1
1 1131 . 3 1 1 A 97 97 PRO CA C 97 65.900 63.548 2.352 1
1 1132 . 3 1 1 A 97 97 PRO CB C 97 32.100 32.056 0.044 1
1 1135 . 3 1 1 A 98 98 SER H H 98 9.160 8.744 0.416 1
1 1136 . 3 1 1 A 98 98 SER HA H 98 3.980 4.203 -0.223 1
1 1139 . 3 1 1 A 98 98 SER CA C 98 60.900 59.811 1.089 1
1 1140 . 3 1 1 A 98 98 SER CB C 98 62.200 62.555 -0.355 1
1 1141 . 3 1 1 A 98 98 SER N N 98 112.400 117.368 -4.968 1
1 1142 . 3 1 1 A 99 99 PHE H H 99 7.950 8.186 -0.236 1
1 1143 . 3 1 1 A 99 99 PHE HA H 99 4.470 4.467 0.003 1
1 1151 . 3 1 1 A 99 99 PHE CA C 99 58.500 59.140 -0.640 1
1 1152 . 3 1 1 A 99 99 PHE CB C 99 40.100 37.993 2.107 1
1 1156 . 3 1 1 A 99 99 PHE N N 99 118.800 117.069 1.731 1
1 1157 . 3 1 1 A 100 100 ARG H H 100 7.350 7.791 -0.441 1
1 1158 . 3 1 1 A 100 100 ARG HA H 100 4.270 4.318 -0.048 1
1 1165 . 3 1 1 A 100 100 ARG CA C 100 56.600 58.012 -1.412 1
1 1166 . 3 1 1 A 100 100 ARG CB C 100 30.300 30.245 0.055 1
1 1169 . 3 1 1 A 100 100 ARG N N 100 120.200 119.471 0.729 1
1 1170 . 3 1 1 A 101 101 ARG H H 101 8.180 7.609 0.571 1
1 1171 . 3 1 1 A 101 101 ARG HA H 101 4.270 4.479 -0.209 1
1 1177 . 3 1 1 A 101 101 ARG CA C 101 56.700 55.024 1.676 1
1 1178 . 3 1 1 A 101 101 ARG CB C 101 30.700 28.679 2.021 1
1 1181 . 3 1 1 A 101 101 ARG N N 101 121.100 119.629 1.471 1
1 1182 . 3 1 1 A 102 102 VAL H H 102 8.160 8.421 -0.261 1
1 1183 . 3 1 1 A 102 102 VAL HA H 102 4.080 4.947 -0.867 1
1 1191 . 3 1 1 A 102 102 VAL CA C 102 62.500 60.755 1.745 1
1 1192 . 3 1 1 A 102 102 VAL CB C 102 32.700 33.286 -0.586 1
1 1195 . 3 1 1 A 102 102 VAL N N 102 121.500 119.346 2.154 1
1 1196 . 3 1 1 A 103 103 ARG H H 103 7.920 8.751 -0.831 1
1 1197 . 3 1 1 A 103 103 ARG HA H 103 4.160 4.634 -0.474 1
1 1204 . 3 1 1 A 103 103 ARG CA C 103 57.300 55.197 2.103 1
1 1205 . 3 1 1 A 103 103 ARG CB C 103 31.600 31.913 -0.313 1
1 1208 . 3 1 1 A 103 103 ARG N N 103 129.400 126.881 2.519 1
1 1209 . 3 1 1 A 104 104 LEU H H 104 8.190 8.872 -0.682 1
1 1210 . 3 1 1 A 104 104 LEU N N 104 122.800 127.097 -4.297 1
1 1211 . 3 1 1 A 105 105 GLU H H 105 8.220 8.773 -0.553 1
1 8 . 4 1 1 A 2 2 PRO HA H 2 4.430 4.582 -0.152 1
1 15 . 4 1 1 A 2 2 PRO CA C 2 62.800 62.734 0.066 1
1 16 . 4 1 1 A 2 2 PRO CB C 2 31.900 31.592 0.308 1
1 19 . 4 1 1 A 3 3 VAL H H 3 8.130 8.310 -0.180 1
1 20 . 4 1 1 A 3 3 VAL HA H 3 4.030 4.515 -0.485 1
1 28 . 4 1 1 A 3 3 VAL CA C 3 62.200 61.059 1.141 1
1 29 . 4 1 1 A 3 3 VAL CB C 3 32.700 32.733 -0.033 1
1 32 . 4 1 1 A 3 3 VAL N N 3 120.100 123.024 -2.924 1
1 33 . 4 1 1 A 4 4 ALA H H 4 8.330 8.656 -0.326 1
1 34 . 4 1 1 A 4 4 ALA HA H 4 4.310 4.866 -0.556 1
1 38 . 4 1 1 A 4 4 ALA CA C 4 52.100 51.819 0.281 1
1 39 . 4 1 1 A 4 4 ALA CB C 4 19.400 19.751 -0.351 1
1 40 . 4 1 1 A 4 4 ALA N N 4 127.300 131.062 -3.762 1
1 41 . 4 1 1 A 5 5 GLU H H 5 8.290 8.921 -0.631 1
1 42 . 4 1 1 A 5 5 GLU HA H 5 4.290 4.862 -0.572 1
1 47 . 4 1 1 A 5 5 GLU CA C 5 56.100 55.619 0.481 1
1 48 . 4 1 1 A 5 5 GLU CB C 5 30.500 33.263 -2.763 1
1 50 . 4 1 1 A 5 5 GLU N N 5 121.000 122.923 -1.923 1
1 51 . 4 1 1 A 6 6 TRP H H 6 8.670 9.087 -0.417 1
1 52 . 4 1 1 A 6 6 TRP HA H 6 5.020 5.198 -0.178 1
1 61 . 4 1 1 A 6 6 TRP CA C 6 54.500 55.400 -0.900 1
1 62 . 4 1 1 A 6 6 TRP CB C 6 30.100 32.212 -2.112 1
1 68 . 4 1 1 A 6 6 TRP N N 6 124.900 129.487 -4.587 1
1 70 . 4 1 1 A 7 7 ALA H H 7 7.850 8.767 -0.917 1
1 71 . 4 1 1 A 7 7 ALA HA H 7 3.790 4.078 -0.288 1
1 75 . 4 1 1 A 7 7 ALA CA C 7 53.200 52.209 0.991 1
1 76 . 4 1 1 A 7 7 ALA CB C 7 18.000 17.105 0.895 1
1 77 . 4 1 1 A 7 7 ALA N N 7 128.000 127.436 0.564 1
1 78 . 4 1 1 A 8 8 VAL H H 8 5.280 7.457 -2.177 1
1 79 . 4 1 1 A 8 8 VAL HA H 8 2.850 3.885 -1.035 1
1 87 . 4 1 1 A 8 8 VAL CA C 8 59.700 57.427 2.273 1
1 88 . 4 1 1 A 8 8 VAL CB C 8 31.600 33.955 -2.355 1
1 91 . 4 1 1 A 8 8 VAL N N 8 117.000 118.313 -1.313 1
1 92 . 4 1 1 A 9 9 PRO HA H 9 4.340 4.416 -0.076 1
1 99 . 4 1 1 A 9 9 PRO CA C 9 62.800 63.334 -0.534 1
1 100 . 4 1 1 A 9 9 PRO CB C 9 32.400 32.465 -0.065 1
1 103 . 4 1 1 A 10 10 GLN HA H 10 3.710 3.919 -0.209 1
1 110 . 4 1 1 A 10 10 GLN CA C 10 60.100 59.330 0.770 1
1 111 . 4 1 1 A 10 10 GLN CB C 10 28.000 28.517 -0.517 1
1 114 . 4 1 1 A 11 11 SER HA H 11 4.070 4.138 -0.068 1
1 117 . 4 1 1 A 11 11 SER CA C 11 61.400 62.010 -0.610 1
1 118 . 4 1 1 A 11 11 SER CB C 11 61.400 62.916 -1.516 1
1 119 . 4 1 1 A 12 12 SER H H 12 7.070 8.095 -1.025 1
1 120 . 4 1 1 A 12 12 SER HA H 12 3.990 4.136 -0.146 1
1 123 . 4 1 1 A 12 12 SER CA C 12 61.500 61.407 0.093 1
1 124 . 4 1 1 A 12 12 SER CB C 12 61.500 63.070 -1.570 1
1 125 . 4 1 1 A 12 12 SER N N 12 119.300 117.568 1.732 1
1 126 . 4 1 1 A 13 13 ARG H H 13 8.000 8.545 -0.545 1
1 127 . 4 1 1 A 13 13 ARG HA H 13 3.930 4.124 -0.194 1
1 134 . 4 1 1 A 13 13 ARG CA C 13 59.800 58.865 0.935 1
1 135 . 4 1 1 A 13 13 ARG CB C 13 30.300 29.808 0.492 1
1 138 . 4 1 1 A 13 13 ARG N N 13 121.600 120.094 1.506 1
1 139 . 4 1 1 A 14 14 LEU H H 14 7.710 8.048 -0.338 1
1 140 . 4 1 1 A 14 14 LEU HA H 14 4.120 4.112 0.008 1
1 150 . 4 1 1 A 14 14 LEU CA C 14 57.900 57.619 0.281 1
1 151 . 4 1 1 A 14 14 LEU CB C 14 41.900 41.312 0.588 1
1 155 . 4 1 1 A 14 14 LEU N N 14 117.100 120.595 -3.495 1
1 156 . 4 1 1 A 15 15 LYS H H 15 7.450 7.534 -0.084 1
1 157 . 4 1 1 A 15 15 LYS HA H 15 4.050 3.923 0.127 1
1 166 . 4 1 1 A 15 15 LYS CA C 15 59.100 58.863 0.237 1
1 167 . 4 1 1 A 15 15 LYS CB C 15 33.000 32.174 0.826 1
1 171 . 4 1 1 A 15 15 LYS N N 15 118.800 120.955 -2.155 1
1 172 . 4 1 1 A 16 16 TYR H H 16 8.640 7.832 0.808 1
1 173 . 4 1 1 A 16 16 TYR HA H 16 5.130 4.569 0.561 1
1 180 . 4 1 1 A 16 16 TYR CA C 16 58.900 61.436 -2.536 1
1 181 . 4 1 1 A 16 16 TYR CB C 16 37.100 38.235 -1.135 1
1 184 . 4 1 1 A 16 16 TYR N N 16 117.800 117.895 -0.095 1
1 185 . 4 1 1 A 17 17 ARG H H 17 8.470 8.277 0.193 1
1 186 . 4 1 1 A 17 17 ARG HA H 17 4.230 4.235 -0.005 1
1 193 . 4 1 1 A 17 17 ARG CA C 17 59.700 59.323 0.377 1
1 194 . 4 1 1 A 17 17 ARG CB C 17 29.800 29.711 0.089 1
1 197 . 4 1 1 A 17 17 ARG N N 17 124.000 122.726 1.274 1
1 198 . 4 1 1 A 18 18 GLN H H 18 7.740 7.565 0.175 1
1 199 . 4 1 1 A 18 18 GLN HA H 18 4.190 4.256 -0.066 1
1 206 . 4 1 1 A 18 18 GLN CA C 18 59.300 57.726 1.574 1
1 207 . 4 1 1 A 18 18 GLN CB C 18 27.900 29.097 -1.197 1
1 209 . 4 1 1 A 18 18 GLN N N 18 118.000 116.677 1.323 1
1 211 . 4 1 1 A 19 19 LEU H H 19 7.770 7.885 -0.115 1
1 212 . 4 1 1 A 19 19 LEU HA H 19 4.400 4.622 -0.222 1
1 222 . 4 1 1 A 19 19 LEU CA C 19 58.000 53.911 4.089 1
1 223 . 4 1 1 A 19 19 LEU CB C 19 42.800 42.928 -0.128 1
1 227 . 4 1 1 A 19 19 LEU N N 19 120.500 121.056 -0.556 1
1 228 . 4 1 1 A 20 20 PHE H H 20 8.710 7.722 0.988 1
1 229 . 4 1 1 A 20 20 PHE HA H 20 3.330 3.366 -0.036 1
1 237 . 4 1 1 A 20 20 PHE CA C 20 62.400 61.968 0.432 1
1 238 . 4 1 1 A 20 20 PHE CB C 20 38.500 39.030 -0.530 1
1 242 . 4 1 1 A 20 20 PHE N N 20 121.900 121.712 0.188 1
1 243 . 4 1 1 A 21 21 ASN H H 21 8.770 9.098 -0.328 1
1 244 . 4 1 1 A 21 21 ASN HA H 21 4.380 4.376 0.004 1
1 249 . 4 1 1 A 21 21 ASN CA C 21 55.400 56.431 -1.031 1
1 250 . 4 1 1 A 21 21 ASN CB C 21 37.600 39.521 -1.921 1
1 251 . 4 1 1 A 21 21 ASN N N 21 117.300 117.628 -0.328 1
1 253 . 4 1 1 A 22 22 SER H H 22 7.900 8.354 -0.454 1
1 254 . 4 1 1 A 22 22 SER HA H 22 4.180 4.091 0.089 1
1 257 . 4 1 1 A 22 22 SER CA C 22 60.700 61.728 -1.028 1
1 258 . 4 1 1 A 22 22 SER CB C 22 62.900 62.845 0.055 1
1 259 . 4 1 1 A 22 22 SER N N 22 114.800 115.481 -0.681 1
1 260 . 4 1 1 A 23 23 HIS H H 23 7.310 7.887 -0.577 1
1 261 . 4 1 1 A 23 23 HIS HA H 23 4.480 4.311 0.169 1
1 266 . 4 1 1 A 23 23 HIS CA C 23 58.000 57.881 0.119 1
1 267 . 4 1 1 A 23 23 HIS CB C 23 32.400 30.779 1.621 1
1 270 . 4 1 1 A 23 23 HIS N N 23 118.900 116.998 1.902 1
1 271 . 4 1 1 A 24 24 ASP H H 24 7.870 7.663 0.207 1
1 272 . 4 1 1 A 24 24 ASP HA H 24 4.850 4.332 0.518 1
1 275 . 4 1 1 A 24 24 ASP CA C 24 52.100 53.184 -1.084 1
1 276 . 4 1 1 A 24 24 ASP CB C 24 38.500 40.366 -1.866 1
1 277 . 4 1 1 A 24 24 ASP N N 24 122.400 117.574 4.826 1
1 278 . 4 1 1 A 25 25 LYS H H 25 7.900 8.764 -0.864 1
1 279 . 4 1 1 A 25 25 LYS HA H 25 4.070 4.475 -0.405 1
1 288 . 4 1 1 A 25 25 LYS CA C 25 58.600 57.021 1.579 1
1 289 . 4 1 1 A 25 25 LYS CB C 25 32.600 34.500 -1.900 1
1 293 . 4 1 1 A 25 25 LYS N N 25 122.400 125.743 -3.343 1
1 294 . 4 1 1 A 26 26 THR H H 26 8.120 7.574 0.546 1
1 295 . 4 1 1 A 26 26 THR HA H 26 4.340 4.658 -0.318 1
1 300 . 4 1 1 A 26 26 THR CA C 26 61.000 60.620 0.380 1
1 301 . 4 1 1 A 26 26 THR CB C 26 69.100 68.907 0.193 1
1 303 . 4 1 1 A 26 26 THR N N 26 106.400 105.785 0.615 1
1 304 . 4 1 1 A 27 27 MET H H 27 8.030 8.218 -0.188 1
1 305 . 4 1 1 A 27 27 MET HA H 27 3.980 4.388 -0.408 1
1 310 . 4 1 1 A 27 27 MET CA C 27 56.600 56.682 -0.082 1
1 311 . 4 1 1 A 27 27 MET CB C 27 29.100 32.849 -3.749 1
1 313 . 4 1 1 A 27 27 MET N N 27 119.600 122.053 -2.453 1
1 314 . 4 1 1 A 28 28 SER H H 28 9.520 7.608 1.912 1
1 315 . 4 1 1 A 28 28 SER HA H 28 4.250 4.632 -0.382 1
1 318 . 4 1 1 A 28 28 SER CA C 28 60.500 58.623 1.877 1
1 319 . 4 1 1 A 28 28 SER CB C 28 64.400 65.700 -1.300 1
1 320 . 4 1 1 A 28 28 SER N N 28 118.600 109.918 8.682 1
1 321 . 4 1 1 A 29 29 GLY H H 29 10.710 8.303 2.407 1
1 322 . 4 1 1 A 29 29 GLY HA2 H 29 4.380 4.127 0.253 1
1 323 . 4 1 1 A 29 29 GLY HA3 H 29 3.690 4.365 -0.675 1
1 324 . 4 1 1 A 29 29 GLY CA C 29 45.200 45.284 -0.084 1
1 325 . 4 1 1 A 29 29 GLY N N 29 113.800 108.654 5.146 1
1 326 . 4 1 1 A 30 30 HIS H H 30 7.870 7.504 0.366 1
1 327 . 4 1 1 A 30 30 HIS HA H 30 5.520 5.325 0.195 1
1 332 . 4 1 1 A 30 30 HIS CA C 30 55.800 54.548 1.252 1
1 333 . 4 1 1 A 30 30 HIS CB C 30 32.800 32.505 0.295 1
1 336 . 4 1 1 A 30 30 HIS N N 30 115.700 114.627 1.073 1
1 337 . 4 1 1 A 31 31 LEU H H 31 9.140 9.782 -0.642 1
1 338 . 4 1 1 A 31 31 LEU HA H 31 4.840 4.854 -0.014 1
1 348 . 4 1 1 A 31 31 LEU CA C 31 52.900 54.164 -1.264 1
1 349 . 4 1 1 A 31 31 LEU CB C 31 44.200 43.481 0.719 1
1 353 . 4 1 1 A 31 31 LEU N N 31 117.200 123.153 -5.953 1
1 354 . 4 1 1 A 32 32 THR H H 32 8.680 8.872 -0.192 1
1 355 . 4 1 1 A 32 32 THR HA H 32 4.340 4.605 -0.265 1
1 360 . 4 1 1 A 32 32 THR CA C 32 61.500 62.464 -0.964 1
1 361 . 4 1 1 A 32 32 THR CB C 32 70.200 69.693 0.507 1
1 363 . 4 1 1 A 32 32 THR N N 32 113.400 119.106 -5.706 1
1 364 . 4 1 1 A 33 33 GLY H H 33 9.090 8.930 0.160 1
1 365 . 4 1 1 A 33 33 GLY HA2 H 33 3.970 3.966 0.004 1
1 366 . 4 1 1 A 33 33 GLY HA3 H 33 4.070 4.239 -0.169 1
1 367 . 4 1 1 A 33 33 GLY CA C 33 49.300 48.412 0.888 1
1 368 . 4 1 1 A 33 33 GLY N N 33 108.000 112.822 -4.822 1
1 369 . 4 1 1 A 34 34 PRO HA H 34 4.110 4.202 -0.092 1
1 376 . 4 1 1 A 34 34 PRO CA C 34 65.400 65.535 -0.135 1
1 377 . 4 1 1 A 34 34 PRO CB C 34 32.200 31.013 1.187 1
1 380 . 4 1 1 A 35 35 GLN H H 35 7.240 8.182 -0.942 1
1 381 . 4 1 1 A 35 35 GLN HA H 35 4.040 4.085 -0.045 1
1 388 . 4 1 1 A 35 35 GLN CA C 35 58.200 59.416 -1.216 1
1 389 . 4 1 1 A 35 35 GLN CB C 35 29.800 28.318 1.482 1
1 391 . 4 1 1 A 35 35 GLN N N 35 116.700 117.332 -0.632 1
1 393 . 4 1 1 A 36 36 ALA H H 36 9.180 8.577 0.603 1
1 394 . 4 1 1 A 36 36 ALA HA H 36 4.080 4.283 -0.203 1
1 398 . 4 1 1 A 36 36 ALA CA C 36 54.900 55.304 -0.404 1
1 399 . 4 1 1 A 36 36 ALA CB C 36 18.900 18.562 0.338 1
1 400 . 4 1 1 A 36 36 ALA N N 36 120.000 122.238 -2.238 1
1 401 . 4 1 1 A 37 37 ARG H H 37 9.060 8.223 0.837 1
1 402 . 4 1 1 A 37 37 ARG HA H 37 3.860 4.046 -0.186 1
1 409 . 4 1 1 A 37 37 ARG CA C 37 61.000 59.371 1.629 1
1 410 . 4 1 1 A 37 37 ARG CB C 37 29.900 29.839 0.061 1
1 413 . 4 1 1 A 37 37 ARG N N 37 117.200 118.125 -0.925 1
1 414 . 4 1 1 A 38 38 THR H H 38 7.620 8.018 -0.398 1
1 415 . 4 1 1 A 38 38 THR HA H 38 3.920 3.990 -0.070 1
1 420 . 4 1 1 A 38 38 THR CA C 38 66.900 67.077 -0.177 1
1 421 . 4 1 1 A 38 38 THR CB C 38 68.800 68.872 -0.072 1
1 423 . 4 1 1 A 38 38 THR N N 38 114.600 117.356 -2.756 1
1 424 . 4 1 1 A 39 39 ILE H H 39 7.180 7.563 -0.383 1
1 425 . 4 1 1 A 39 39 ILE HA H 39 3.730 3.712 0.018 1
1 435 . 4 1 1 A 39 39 ILE CA C 39 64.900 64.073 0.827 1
1 436 . 4 1 1 A 39 39 ILE CB C 39 39.000 37.653 1.347 1
1 440 . 4 1 1 A 39 39 ILE N N 39 121.500 121.595 -0.095 1
1 441 . 4 1 1 A 40 40 LEU H H 40 8.480 8.213 0.267 1
1 442 . 4 1 1 A 40 40 LEU HA H 40 3.870 3.888 -0.018 1
1 452 . 4 1 1 A 40 40 LEU CA C 40 58.500 57.870 0.630 1
1 453 . 4 1 1 A 40 40 LEU CB C 40 40.800 41.410 -0.610 1
1 457 . 4 1 1 A 40 40 LEU N N 40 119.900 119.977 -0.077 1
1 458 . 4 1 1 A 41 41 MET H H 41 8.160 8.181 -0.021 1
1 459 . 4 1 1 A 41 41 MET HA H 41 4.200 4.358 -0.158 1
1 464 . 4 1 1 A 41 41 MET CA C 41 57.700 57.574 0.126 1
1 465 . 4 1 1 A 41 41 MET CB C 41 32.500 31.219 1.281 1
1 467 . 4 1 1 A 41 41 MET N N 41 115.300 116.508 -1.208 1
1 468 . 4 1 1 A 42 42 GLN H H 42 7.600 7.630 -0.030 1
1 469 . 4 1 1 A 42 42 GLN HA H 42 4.230 4.263 -0.033 1
1 476 . 4 1 1 A 42 42 GLN CA C 42 57.200 58.049 -0.849 1
1 477 . 4 1 1 A 42 42 GLN CB C 42 27.900 28.259 -0.359 1
1 479 . 4 1 1 A 42 42 GLN N N 42 118.900 118.989 -0.089 1
1 481 . 4 1 1 A 43 43 SER H H 43 7.670 7.388 0.282 1
1 482 . 4 1 1 A 43 43 SER HA H 43 4.300 4.319 -0.019 1
1 485 . 4 1 1 A 43 43 SER CA C 43 59.800 59.528 0.272 1
1 486 . 4 1 1 A 43 43 SER CB C 43 65.200 64.206 0.994 1
1 487 . 4 1 1 A 43 43 SER N N 43 113.900 113.648 0.252 1
1 488 . 4 1 1 A 44 44 SER H H 44 8.040 7.752 0.288 1
1 489 . 4 1 1 A 44 44 SER HA H 44 4.300 4.173 0.127 1
1 492 . 4 1 1 A 44 44 SER CA C 44 59.400 59.741 -0.341 1
1 493 . 4 1 1 A 44 44 SER CB C 44 62.500 61.232 1.268 1
1 494 . 4 1 1 A 44 44 SER N N 44 113.500 112.490 1.010 1
1 495 . 4 1 1 A 45 45 LEU H H 45 7.430 7.422 0.008 1
1 496 . 4 1 1 A 45 45 LEU HA H 45 4.470 4.355 0.115 1
1 506 . 4 1 1 A 45 45 LEU CA C 45 53.300 53.489 -0.189 1
1 507 . 4 1 1 A 45 45 LEU CB C 45 41.700 40.723 0.977 1
1 511 . 4 1 1 A 45 45 LEU N N 45 121.900 122.051 -0.151 1
1 512 . 4 1 1 A 46 46 PRO HA H 46 4.460 4.583 -0.123 1
1 519 . 4 1 1 A 46 46 PRO CA C 46 62.500 62.793 -0.293 1
1 520 . 4 1 1 A 46 46 PRO CB C 46 32.500 32.436 0.064 1
1 523 . 4 1 1 A 47 47 GLN H H 47 8.820 8.985 -0.165 1
1 524 . 4 1 1 A 47 47 GLN HA H 47 3.870 3.942 -0.072 1
1 531 . 4 1 1 A 47 47 GLN CA C 47 59.600 59.068 0.532 1
1 532 . 4 1 1 A 47 47 GLN CB C 47 28.100 28.096 0.004 1
1 534 . 4 1 1 A 47 47 GLN N N 47 123.400 123.783 -0.383 1
1 536 . 4 1 1 A 48 48 ALA H H 48 9.000 8.178 0.822 1
1 537 . 4 1 1 A 48 48 ALA HA H 48 4.150 4.076 0.074 1
1 541 . 4 1 1 A 48 48 ALA CA C 48 55.200 55.193 0.007 1
1 542 . 4 1 1 A 48 48 ALA CB C 48 18.200 18.287 -0.087 1
1 543 . 4 1 1 A 48 48 ALA N N 48 119.800 122.050 -2.250 1
1 544 . 4 1 1 A 49 49 GLN H H 49 7.190 7.858 -0.668 1
1 545 . 4 1 1 A 49 49 GLN HA H 49 4.230 4.060 0.170 1
1 552 . 4 1 1 A 49 49 GLN CA C 49 58.600 58.710 -0.110 1
1 553 . 4 1 1 A 49 49 GLN CB C 49 29.400 28.184 1.216 1
1 555 . 4 1 1 A 49 49 GLN N N 49 115.800 117.367 -1.567 1
1 557 . 4 1 1 A 50 50 LEU H H 50 7.800 8.208 -0.408 1
1 558 . 4 1 1 A 50 50 LEU HA H 50 3.930 3.963 -0.033 1
1 568 . 4 1 1 A 50 50 LEU CA C 50 57.900 57.904 -0.004 1
1 569 . 4 1 1 A 50 50 LEU CB C 50 41.100 41.570 -0.470 1
1 573 . 4 1 1 A 50 50 LEU N N 50 119.800 120.832 -1.032 1
1 574 . 4 1 1 A 51 51 ALA H H 51 8.410 8.803 -0.393 1
1 575 . 4 1 1 A 51 51 ALA HA H 51 4.210 4.110 0.100 1
1 579 . 4 1 1 A 51 51 ALA CA C 51 55.100 55.283 -0.183 1
1 580 . 4 1 1 A 51 51 ALA CB C 51 17.500 17.945 -0.445 1
1 581 . 4 1 1 A 51 51 ALA N N 51 122.600 122.238 0.362 1
1 582 . 4 1 1 A 52 52 SER H H 52 7.530 7.907 -0.377 1
1 583 . 4 1 1 A 52 52 SER HA H 52 4.310 4.115 0.195 1
1 586 . 4 1 1 A 52 52 SER CA C 52 62.200 62.344 -0.144 1
1 587 . 4 1 1 A 52 52 SER CB C 52 62.600 63.217 -0.617 1
1 588 . 4 1 1 A 52 52 SER N N 52 115.300 113.531 1.769 1
1 589 . 4 1 1 A 53 53 ILE H H 53 8.270 8.430 -0.160 1
1 590 . 4 1 1 A 53 53 ILE HA H 53 3.430 3.654 -0.224 1
1 600 . 4 1 1 A 53 53 ILE CA C 53 66.300 64.972 1.328 1
1 601 . 4 1 1 A 53 53 ILE CB C 53 37.900 37.537 0.363 1
1 605 . 4 1 1 A 53 53 ILE N N 53 122.000 120.834 1.166 1
1 606 . 4 1 1 A 54 54 TRP H H 54 8.480 8.480 0.000 1
1 607 . 4 1 1 A 54 54 TRP HA H 54 3.720 4.071 -0.351 1
1 616 . 4 1 1 A 54 54 TRP CA C 54 61.400 60.716 0.684 1
1 617 . 4 1 1 A 54 54 TRP CB C 54 28.100 29.356 -1.256 1
1 623 . 4 1 1 A 54 54 TRP N N 54 122.100 121.668 0.432 1
1 625 . 4 1 1 A 55 55 ASN H H 55 7.860 8.622 -0.762 1
1 626 . 4 1 1 A 55 55 ASN HA H 55 4.350 4.488 -0.138 1
1 631 . 4 1 1 A 55 55 ASN CA C 55 55.900 56.413 -0.513 1
1 632 . 4 1 1 A 55 55 ASN CB C 55 38.500 39.956 -1.456 1
1 633 . 4 1 1 A 55 55 ASN N N 55 113.900 118.096 -4.196 1
1 635 . 4 1 1 A 56 56 LEU H H 56 8.020 8.272 -0.252 1
1 636 . 4 1 1 A 56 56 LEU HA H 56 3.990 4.085 -0.095 1
1 646 . 4 1 1 A 56 56 LEU CA C 56 56.700 57.590 -0.890 1
1 647 . 4 1 1 A 56 56 LEU CB C 56 43.900 41.575 2.325 1
1 651 . 4 1 1 A 56 56 LEU N N 56 117.500 119.355 -1.855 1
1 652 . 4 1 1 A 57 57 SER H H 57 7.280 7.746 -0.466 1
1 653 . 4 1 1 A 57 57 SER HA H 57 4.290 4.235 0.055 1
1 656 . 4 1 1 A 57 57 SER CA C 57 61.100 60.997 0.103 1
1 657 . 4 1 1 A 57 57 SER CB C 57 64.000 63.110 0.890 1
1 658 . 4 1 1 A 57 57 SER N N 57 111.100 112.852 -1.752 1
1 659 . 4 1 1 A 58 58 ASP H H 58 7.030 7.969 -0.939 1
1 660 . 4 1 1 A 58 58 ASP HA H 58 4.650 4.250 0.400 1
1 663 . 4 1 1 A 58 58 ASP CA C 58 51.400 53.471 -2.071 1
1 664 . 4 1 1 A 58 58 ASP CB C 58 37.200 40.813 -3.613 1
1 665 . 4 1 1 A 58 58 ASP N N 58 115.600 119.897 -4.297 1
1 666 . 4 1 1 A 59 59 ILE H H 59 8.630 7.827 0.803 1
1 667 . 4 1 1 A 59 59 ILE HA H 59 3.260 3.895 -0.635 1
1 677 . 4 1 1 A 59 59 ILE CA C 59 62.900 63.508 -0.608 1
1 678 . 4 1 1 A 59 59 ILE CB C 59 36.600 37.381 -0.781 1
1 682 . 4 1 1 A 59 59 ILE N N 59 128.500 125.600 2.900 1
1 683 . 4 1 1 A 60 60 ASP H H 60 7.960 7.644 0.316 1
1 684 . 4 1 1 A 60 60 ASP HA H 60 4.480 4.727 -0.247 1
1 687 . 4 1 1 A 60 60 ASP CA C 60 52.300 56.559 -4.259 1
1 688 . 4 1 1 A 60 60 ASP CB C 60 39.100 41.545 -2.445 1
1 689 . 4 1 1 A 60 60 ASP N N 60 113.200 121.601 -8.401 1
1 690 . 4 1 1 A 61 61 GLN H H 61 7.550 7.877 -0.327 1
1 691 . 4 1 1 A 61 61 GLN HA H 61 3.800 4.013 -0.213 1
1 698 . 4 1 1 A 61 61 GLN CA C 61 57.100 56.912 0.188 1
1 699 . 4 1 1 A 61 61 GLN CB C 61 26.400 25.862 0.538 1
1 701 . 4 1 1 A 61 61 GLN N N 61 113.800 116.889 -3.089 1
1 703 . 4 1 1 A 62 62 ASP H H 62 8.390 7.767 0.623 1
1 704 . 4 1 1 A 62 62 ASP HA H 62 4.720 4.939 -0.219 1
1 707 . 4 1 1 A 62 62 ASP CA C 62 52.800 53.873 -1.073 1
1 708 . 4 1 1 A 62 62 ASP CB C 62 41.000 42.236 -1.236 1
1 709 . 4 1 1 A 62 62 ASP N N 62 117.700 118.592 -0.892 1
1 710 . 4 1 1 A 63 63 GLY H H 63 10.840 9.237 1.603 1
1 711 . 4 1 1 A 63 63 GLY HA2 H 63 4.310 4.165 0.145 1
1 712 . 4 1 1 A 63 63 GLY HA3 H 63 3.880 4.414 -0.534 1
1 713 . 4 1 1 A 63 63 GLY CA C 63 46.200 46.471 -0.271 1
1 714 . 4 1 1 A 63 63 GLY N N 63 114.200 108.620 5.580 1
1 715 . 4 1 1 A 64 64 LYS H H 64 8.070 7.805 0.265 1
1 716 . 4 1 1 A 64 64 LYS HA H 64 5.030 5.057 -0.027 1
1 725 . 4 1 1 A 64 64 LYS CA C 64 54.200 54.106 0.094 1
1 726 . 4 1 1 A 64 64 LYS CB C 64 36.100 36.245 -0.145 1
1 730 . 4 1 1 A 64 64 LYS N N 64 117.400 119.313 -1.913 1
1 731 . 4 1 1 A 65 65 LEU H H 65 8.990 9.262 -0.272 1
1 732 . 4 1 1 A 65 65 LEU HA H 65 5.750 4.795 0.955 1
1 742 . 4 1 1 A 65 65 LEU CA C 65 52.900 53.422 -0.522 1
1 743 . 4 1 1 A 65 65 LEU CB C 65 43.600 43.920 -0.320 1
1 747 . 4 1 1 A 65 65 LEU N N 65 120.700 123.716 -3.016 1
1 748 . 4 1 1 A 66 66 THR H H 66 10.210 9.210 1.000 1
1 749 . 4 1 1 A 66 66 THR HA H 66 4.910 4.653 0.257 1
1 754 . 4 1 1 A 66 66 THR CA C 66 60.900 61.051 -0.151 1
1 755 . 4 1 1 A 66 66 THR CB C 66 71.200 71.014 0.186 1
1 757 . 4 1 1 A 66 66 THR N N 66 116.300 118.331 -2.031 1
1 758 . 4 1 1 A 67 67 ALA H H 67 8.350 8.714 -0.364 1
1 759 . 4 1 1 A 67 67 ALA HA H 67 2.620 2.990 -0.370 1
1 763 . 4 1 1 A 67 67 ALA CA C 67 56.200 54.746 1.454 1
1 764 . 4 1 1 A 67 67 ALA CB C 67 18.000 17.585 0.415 1
1 765 . 4 1 1 A 67 67 ALA N N 67 122.000 123.826 -1.826 1
1 766 . 4 1 1 A 68 68 GLU H H 68 8.160 7.997 0.163 1
1 767 . 4 1 1 A 68 68 GLU HA H 68 4.180 4.264 -0.084 1
1 772 . 4 1 1 A 68 68 GLU CA C 68 60.500 59.594 0.906 1
1 773 . 4 1 1 A 68 68 GLU CB C 68 30.500 29.526 0.974 1
1 775 . 4 1 1 A 68 68 GLU N N 68 112.200 118.064 -5.864 1
1 776 . 4 1 1 A 69 69 GLU H H 69 7.280 7.705 -0.425 1
1 777 . 4 1 1 A 69 69 GLU HA H 69 4.030 4.073 -0.043 1
1 782 . 4 1 1 A 69 69 GLU CA C 69 60.100 58.875 1.225 1
1 783 . 4 1 1 A 69 69 GLU CB C 69 31.800 29.312 2.488 1
1 785 . 4 1 1 A 69 69 GLU N N 69 117.400 120.316 -2.916 1
1 786 . 4 1 1 A 70 70 PHE H H 70 8.940 8.375 0.565 1
1 787 . 4 1 1 A 70 70 PHE HA H 70 4.130 4.116 0.014 1
1 795 . 4 1 1 A 70 70 PHE CA C 70 61.900 61.439 0.461 1
1 796 . 4 1 1 A 70 70 PHE CB C 70 39.900 39.279 0.621 1
1 800 . 4 1 1 A 70 70 PHE N N 70 119.000 121.780 -2.780 1
1 801 . 4 1 1 A 71 71 ILE H H 71 8.890 8.225 0.665 1
1 802 . 4 1 1 A 71 71 ILE HA H 71 3.380 3.782 -0.402 1
1 812 . 4 1 1 A 71 71 ILE CA C 71 65.800 65.616 0.184 1
1 813 . 4 1 1 A 71 71 ILE CB C 71 39.100 37.936 1.164 1
1 817 . 4 1 1 A 71 71 ILE N N 71 119.800 120.908 -1.108 1
1 818 . 4 1 1 A 72 72 LEU H H 72 7.810 8.098 -0.288 1
1 819 . 4 1 1 A 72 72 LEU HA H 72 4.040 4.041 -0.001 1
1 829 . 4 1 1 A 72 72 LEU CA C 72 58.300 58.011 0.289 1
1 830 . 4 1 1 A 72 72 LEU CB C 72 42.600 41.603 0.997 1
1 834 . 4 1 1 A 72 72 LEU N N 72 118.100 121.129 -3.029 1
1 835 . 4 1 1 A 73 73 ALA H H 73 8.340 8.536 -0.196 1
1 836 . 4 1 1 A 73 73 ALA HA H 73 3.820 3.965 -0.145 1
1 840 . 4 1 1 A 73 73 ALA CA C 73 55.600 55.349 0.251 1
1 841 . 4 1 1 A 73 73 ALA CB C 73 17.600 18.372 -0.772 1
1 842 . 4 1 1 A 73 73 ALA N N 73 122.000 121.060 0.940 1
1 843 . 4 1 1 A 74 74 MET H H 74 7.840 8.275 -0.435 1
1 844 . 4 1 1 A 74 74 MET HA H 74 3.830 3.847 -0.017 1
1 852 . 4 1 1 A 74 74 MET CA C 74 55.400 58.028 -2.628 1
1 853 . 4 1 1 A 74 74 MET CB C 74 27.800 31.273 -3.473 1
1 856 . 4 1 1 A 74 74 MET N N 74 113.400 116.780 -3.380 1
1 857 . 4 1 1 A 75 75 HIS H H 75 8.340 7.976 0.364 1
1 858 . 4 1 1 A 75 75 HIS HA H 75 4.510 4.233 0.277 1
1 863 . 4 1 1 A 75 75 HIS CA C 75 60.000 59.406 0.594 1
1 864 . 4 1 1 A 75 75 HIS CB C 75 31.400 29.625 1.775 1
1 867 . 4 1 1 A 75 75 HIS N N 75 120.200 121.090 -0.890 1
1 868 . 4 1 1 A 76 76 LEU H H 76 8.750 8.031 0.719 1
1 869 . 4 1 1 A 76 76 LEU HA H 76 3.670 3.739 -0.069 1
1 879 . 4 1 1 A 76 76 LEU CA C 76 57.700 57.699 0.001 1
1 880 . 4 1 1 A 76 76 LEU CB C 76 41.400 41.314 0.086 1
1 884 . 4 1 1 A 76 76 LEU N N 76 118.600 119.106 -0.506 1
1 885 . 4 1 1 A 77 77 ILE H H 77 7.980 8.145 -0.165 1
1 886 . 4 1 1 A 77 77 ILE HA H 77 3.470 3.380 0.090 1
1 896 . 4 1 1 A 77 77 ILE CA C 77 66.000 64.977 1.023 1
1 897 . 4 1 1 A 77 77 ILE CB C 77 36.500 37.512 -1.012 1
1 901 . 4 1 1 A 77 77 ILE N N 77 120.900 119.960 0.940 1
1 902 . 4 1 1 A 78 78 ASP H H 78 7.490 8.289 -0.799 1
1 903 . 4 1 1 A 78 78 ASP HA H 78 4.300 4.206 0.094 1
1 906 . 4 1 1 A 78 78 ASP CA C 78 57.900 57.588 0.312 1
1 907 . 4 1 1 A 78 78 ASP CB C 78 39.000 41.637 -2.637 1
1 908 . 4 1 1 A 78 78 ASP N N 78 121.500 120.513 0.987 1
1 909 . 4 1 1 A 79 79 VAL H H 79 8.380 8.022 0.358 1
1 910 . 4 1 1 A 79 79 VAL HA H 79 3.390 3.473 -0.083 1
1 918 . 4 1 1 A 79 79 VAL CA C 79 66.400 66.326 0.074 1
1 919 . 4 1 1 A 79 79 VAL CB C 79 31.700 31.486 0.214 1
1 922 . 4 1 1 A 79 79 VAL N N 79 122.400 118.951 3.449 1
1 923 . 4 1 1 A 80 80 ALA H H 80 8.730 8.327 0.403 1
1 924 . 4 1 1 A 80 80 ALA HA H 80 4.360 3.993 0.367 1
1 928 . 4 1 1 A 80 80 ALA CA C 80 54.800 55.084 -0.284 1
1 929 . 4 1 1 A 80 80 ALA CB C 80 18.100 18.055 0.045 1
1 930 . 4 1 1 A 80 80 ALA N N 80 125.200 122.385 2.815 1
1 931 . 4 1 1 A 81 81 MET H H 81 9.360 8.360 1.000 1
1 932 . 4 1 1 A 81 81 MET HA H 81 4.210 4.237 -0.027 1
1 940 . 4 1 1 A 81 81 MET CA C 81 57.800 57.242 0.558 1
1 941 . 4 1 1 A 81 81 MET CB C 81 31.800 31.895 -0.095 1
1 944 . 4 1 1 A 81 81 MET N N 81 119.600 116.138 3.462 1
1 945 . 4 1 1 A 82 82 SER H H 82 7.780 7.556 0.224 1
1 946 . 4 1 1 A 82 82 SER HA H 82 4.510 4.518 -0.008 1
1 949 . 4 1 1 A 82 82 SER CA C 82 59.500 58.352 1.148 1
1 950 . 4 1 1 A 82 82 SER CB C 82 64.000 63.852 0.148 1
1 951 . 4 1 1 A 82 82 SER N N 82 114.000 112.506 1.494 1
1 952 . 4 1 1 A 83 83 GLY H H 83 7.910 8.356 -0.446 1
1 953 . 4 1 1 A 83 83 GLY HA2 H 83 3.700 3.885 -0.185 1
1 954 . 4 1 1 A 83 83 GLY HA3 H 83 4.350 3.889 0.461 1
1 955 . 4 1 1 A 83 83 GLY CA C 83 44.900 45.664 -0.764 1
1 956 . 4 1 1 A 83 83 GLY N N 83 109.400 109.642 -0.242 1
1 957 . 4 1 1 A 84 84 GLN H H 84 7.100 7.502 -0.402 1
1 958 . 4 1 1 A 84 84 GLN HA H 84 4.530 4.653 -0.123 1
1 965 . 4 1 1 A 84 84 GLN CA C 84 53.100 52.709 0.391 1
1 966 . 4 1 1 A 84 84 GLN CB C 84 29.000 29.416 -0.416 1
1 968 . 4 1 1 A 84 84 GLN N N 84 120.700 120.256 0.444 1
1 970 . 4 1 1 A 85 85 PRO HA H 85 4.360 4.633 -0.273 1
1 977 . 4 1 1 A 85 85 PRO CA C 85 61.800 62.457 -0.657 1
1 978 . 4 1 1 A 85 85 PRO CB C 85 31.800 32.583 -0.783 1
1 981 . 4 1 1 A 86 86 LEU H H 86 8.360 8.303 0.057 1
1 982 . 4 1 1 A 86 86 LEU HA H 86 4.380 4.556 -0.176 1
1 992 . 4 1 1 A 86 86 LEU CA C 86 51.600 52.744 -1.144 1
1 993 . 4 1 1 A 86 86 LEU CB C 86 41.000 41.206 -0.206 1
1 997 . 4 1 1 A 86 86 LEU N N 86 121.700 123.950 -2.250 1
1 998 . 4 1 1 A 87 87 PRO HA H 87 4.740 4.625 0.115 1
1 1005 . 4 1 1 A 87 87 PRO CA C 87 60.800 61.658 -0.858 1
1 1006 . 4 1 1 A 87 87 PRO CB C 87 30.900 32.137 -1.237 1
1 1009 . 4 1 1 A 88 88 PRO HA H 88 4.330 4.399 -0.069 1
1 1016 . 4 1 1 A 88 88 PRO CA C 88 63.900 64.646 -0.746 1
1 1017 . 4 1 1 A 88 88 PRO CB C 88 31.700 32.212 -0.512 1
1 1020 . 4 1 1 A 89 89 VAL H H 89 6.840 7.571 -0.731 1
1 1021 . 4 1 1 A 89 89 VAL HA H 89 4.030 4.765 -0.735 1
1 1029 . 4 1 1 A 89 89 VAL CA C 89 59.300 60.216 -0.916 1
1 1030 . 4 1 1 A 89 89 VAL CB C 89 35.500 35.571 -0.071 1
1 1033 . 4 1 1 A 89 89 VAL N N 89 112.700 117.478 -4.778 1
1 1034 . 4 1 1 A 90 90 LEU H H 90 8.990 8.870 0.120 1
1 1035 . 4 1 1 A 90 90 LEU HA H 90 4.150 4.850 -0.700 1
1 1045 . 4 1 1 A 90 90 LEU CA C 90 53.500 51.649 1.851 1
1 1046 . 4 1 1 A 90 90 LEU CB C 90 42.200 44.768 -2.568 1
1 1050 . 4 1 1 A 90 90 LEU N N 90 127.800 128.381 -0.581 1
1 1051 . 4 1 1 A 91 91 PRO HA H 91 4.830 4.718 0.112 1
1 1058 . 4 1 1 A 91 91 PRO CA C 91 61.100 61.740 -0.640 1
1 1059 . 4 1 1 A 91 91 PRO CB C 91 31.300 32.377 -1.077 1
1 1062 . 4 1 1 A 92 92 PRO HA H 92 4.230 4.215 0.015 1
1 1069 . 4 1 1 A 92 92 PRO CA C 92 65.100 65.292 -0.192 1
1 1070 . 4 1 1 A 92 92 PRO CB C 92 31.800 32.086 -0.286 1
1 1073 . 4 1 1 A 93 93 GLU H H 93 10.180 8.960 1.220 1
1 1074 . 4 1 1 A 93 93 GLU HA H 93 4.300 4.179 0.121 1
1 1079 . 4 1 1 A 93 93 GLU CA C 93 58.700 59.211 -0.511 1
1 1080 . 4 1 1 A 93 93 GLU CB C 93 27.500 29.109 -1.609 1
1 1082 . 4 1 1 A 93 93 GLU N N 93 116.400 116.942 -0.542 1
1 1083 . 4 1 1 A 94 94 TYR H H 94 8.510 8.245 0.265 1
1 1084 . 4 1 1 A 94 94 TYR HA H 94 4.510 4.918 -0.408 1
1 1091 . 4 1 1 A 94 94 TYR CA C 94 60.100 57.839 2.261 1
1 1092 . 4 1 1 A 94 94 TYR CB C 94 39.600 38.837 0.763 1
1 1095 . 4 1 1 A 94 94 TYR N N 94 119.400 115.664 3.736 1
1 1096 . 4 1 1 A 95 95 ILE H H 95 7.800 7.526 0.274 1
1 1097 . 4 1 1 A 95 95 ILE HA H 95 3.940 4.315 -0.375 1
1 1107 . 4 1 1 A 95 95 ILE CA C 95 60.200 59.466 0.734 1
1 1108 . 4 1 1 A 95 95 ILE CB C 95 37.800 38.064 -0.264 1
1 1112 . 4 1 1 A 95 95 ILE N N 95 124.500 122.836 1.664 1
1 1113 . 4 1 1 A 96 96 PRO HA H 96 2.770 3.574 -0.804 1
1 1120 . 4 1 1 A 96 96 PRO CA C 96 60.700 61.132 -0.432 1
1 1121 . 4 1 1 A 96 96 PRO CB C 96 31.400 31.441 -0.041 1
1 1124 . 4 1 1 A 97 97 PRO HA H 97 3.680 3.969 -0.289 1
1 1131 . 4 1 1 A 97 97 PRO CA C 97 65.900 63.475 2.425 1
1 1132 . 4 1 1 A 97 97 PRO CB C 97 32.100 31.991 0.109 1
1 1135 . 4 1 1 A 98 98 SER H H 98 9.160 8.564 0.596 1
1 1136 . 4 1 1 A 98 98 SER HA H 98 3.980 3.946 0.034 1
1 1139 . 4 1 1 A 98 98 SER CA C 98 60.900 60.535 0.365 1
1 1140 . 4 1 1 A 98 98 SER CB C 98 62.200 60.835 1.365 1
1 1141 . 4 1 1 A 98 98 SER N N 98 112.400 111.999 0.401 1
1 1142 . 4 1 1 A 99 99 PHE H H 99 7.950 8.361 -0.411 1
1 1143 . 4 1 1 A 99 99 PHE HA H 99 4.470 4.481 -0.011 1
1 1151 . 4 1 1 A 99 99 PHE CA C 99 58.500 58.925 -0.425 1
1 1152 . 4 1 1 A 99 99 PHE CB C 99 40.100 38.061 2.039 1
1 1156 . 4 1 1 A 99 99 PHE N N 99 118.800 117.654 1.146 1
1 1157 . 4 1 1 A 100 100 ARG H H 100 7.350 7.833 -0.483 1
1 1158 . 4 1 1 A 100 100 ARG HA H 100 4.270 4.238 0.032 1
1 1165 . 4 1 1 A 100 100 ARG CA C 100 56.600 57.574 -0.974 1
1 1166 . 4 1 1 A 100 100 ARG CB C 100 30.300 29.927 0.373 1
1 1169 . 4 1 1 A 100 100 ARG N N 100 120.200 119.051 1.149 1
1 1170 . 4 1 1 A 101 101 ARG H H 101 8.180 7.655 0.525 1
1 1171 . 4 1 1 A 101 101 ARG HA H 101 4.270 4.613 -0.343 1
1 1177 . 4 1 1 A 101 101 ARG CA C 101 56.700 55.450 1.250 1
1 1178 . 4 1 1 A 101 101 ARG CB C 101 30.700 30.735 -0.035 1
1 1181 . 4 1 1 A 101 101 ARG N N 101 121.100 120.963 0.137 1
1 1182 . 4 1 1 A 102 102 VAL H H 102 8.160 8.730 -0.570 1
1 1183 . 4 1 1 A 102 102 VAL HA H 102 4.080 4.786 -0.706 1
1 1191 . 4 1 1 A 102 102 VAL CA C 102 62.500 60.948 1.552 1
1 1192 . 4 1 1 A 102 102 VAL CB C 102 32.700 32.618 0.082 1
1 1195 . 4 1 1 A 102 102 VAL N N 102 121.500 122.626 -1.126 1
1 1196 . 4 1 1 A 103 103 ARG H H 103 7.920 8.183 -0.263 1
1 1197 . 4 1 1 A 103 103 ARG HA H 103 4.160 4.723 -0.563 1
1 1204 . 4 1 1 A 103 103 ARG CA C 103 57.300 55.361 1.939 1
1 1205 . 4 1 1 A 103 103 ARG CB C 103 31.600 33.541 -1.941 1
1 1208 . 4 1 1 A 103 103 ARG N N 103 129.400 127.295 2.105 1
1 1209 . 4 1 1 A 104 104 LEU H H 104 8.190 8.661 -0.471 1
1 1210 . 4 1 1 A 104 104 LEU N N 104 122.800 127.855 -5.055 1
1 1211 . 4 1 1 A 105 105 GLU H H 105 8.220 7.847 0.373 1
1 8 . 5 1 1 A 2 2 PRO HA H 2 4.430 4.526 -0.096 1
1 15 . 5 1 1 A 2 2 PRO CA C 2 62.800 62.430 0.370 1
1 16 . 5 1 1 A 2 2 PRO CB C 2 31.900 32.112 -0.212 1
1 19 . 5 1 1 A 3 3 VAL H H 3 8.130 8.362 -0.232 1
1 20 . 5 1 1 A 3 3 VAL HA H 3 4.030 4.312 -0.282 1
1 28 . 5 1 1 A 3 3 VAL CA C 3 62.200 61.505 0.695 1
1 29 . 5 1 1 A 3 3 VAL CB C 3 32.700 31.979 0.721 1
1 32 . 5 1 1 A 3 3 VAL N N 3 120.100 122.019 -1.919 1
1 33 . 5 1 1 A 4 4 ALA H H 4 8.330 9.189 -0.859 1
1 34 . 5 1 1 A 4 4 ALA HA H 4 4.310 3.901 0.409 1
1 38 . 5 1 1 A 4 4 ALA CA C 4 52.100 54.148 -2.048 1
1 39 . 5 1 1 A 4 4 ALA CB C 4 19.400 18.072 1.328 1
1 40 . 5 1 1 A 4 4 ALA N N 4 127.300 128.502 -1.202 1
1 41 . 5 1 1 A 5 5 GLU H H 5 8.290 9.047 -0.757 1
1 42 . 5 1 1 A 5 5 GLU HA H 5 4.290 4.066 0.224 1
1 47 . 5 1 1 A 5 5 GLU CA C 5 56.100 57.653 -1.553 1
1 48 . 5 1 1 A 5 5 GLU CB C 5 30.500 29.131 1.369 1
1 50 . 5 1 1 A 5 5 GLU N N 5 121.000 118.684 2.316 1
1 51 . 5 1 1 A 6 6 TRP H H 6 8.670 8.494 0.176 1
1 52 . 5 1 1 A 6 6 TRP HA H 6 5.020 4.871 0.149 1
1 61 . 5 1 1 A 6 6 TRP CA C 6 54.500 57.982 -3.482 1
1 62 . 5 1 1 A 6 6 TRP CB C 6 30.100 27.822 2.278 1
1 68 . 5 1 1 A 6 6 TRP N N 6 124.900 119.007 5.893 1
1 70 . 5 1 1 A 7 7 ALA H H 7 7.850 8.859 -1.009 1
1 71 . 5 1 1 A 7 7 ALA HA H 7 3.790 4.077 -0.287 1
1 75 . 5 1 1 A 7 7 ALA CA C 7 53.200 51.442 1.758 1
1 76 . 5 1 1 A 7 7 ALA CB C 7 18.000 16.854 1.146 1
1 77 . 5 1 1 A 7 7 ALA N N 7 128.000 129.314 -1.314 1
1 78 . 5 1 1 A 8 8 VAL H H 8 5.280 7.994 -2.714 1
1 79 . 5 1 1 A 8 8 VAL HA H 8 2.850 3.950 -1.100 1
1 87 . 5 1 1 A 8 8 VAL CA C 8 59.700 57.518 2.182 1
1 88 . 5 1 1 A 8 8 VAL CB C 8 31.600 34.622 -3.022 1
1 91 . 5 1 1 A 8 8 VAL N N 8 117.000 120.637 -3.637 1
1 92 . 5 1 1 A 9 9 PRO HA H 9 4.340 4.398 -0.058 1
1 99 . 5 1 1 A 9 9 PRO CA C 9 62.800 63.030 -0.230 1
1 100 . 5 1 1 A 9 9 PRO CB C 9 32.400 32.489 -0.089 1
1 103 . 5 1 1 A 10 10 GLN HA H 10 3.710 3.962 -0.252 1
1 110 . 5 1 1 A 10 10 GLN CA C 10 60.100 58.444 1.656 1
1 111 . 5 1 1 A 10 10 GLN CB C 10 28.000 28.035 -0.035 1
1 114 . 5 1 1 A 11 11 SER HA H 11 4.070 4.157 -0.087 1
1 117 . 5 1 1 A 11 11 SER CA C 11 61.400 62.199 -0.799 1
1 118 . 5 1 1 A 11 11 SER CB C 11 61.400 62.652 -1.252 1
1 119 . 5 1 1 A 12 12 SER H H 12 7.070 8.050 -0.980 1
1 120 . 5 1 1 A 12 12 SER HA H 12 3.990 4.143 -0.153 1
1 123 . 5 1 1 A 12 12 SER CA C 12 61.500 61.365 0.135 1
1 124 . 5 1 1 A 12 12 SER CB C 12 61.500 62.878 -1.378 1
1 125 . 5 1 1 A 12 12 SER N N 12 119.300 117.361 1.939 1
1 126 . 5 1 1 A 13 13 ARG H H 13 8.000 7.877 0.123 1
1 127 . 5 1 1 A 13 13 ARG HA H 13 3.930 4.138 -0.208 1
1 134 . 5 1 1 A 13 13 ARG CA C 13 59.800 58.922 0.878 1
1 135 . 5 1 1 A 13 13 ARG CB C 13 30.300 29.806 0.494 1
1 138 . 5 1 1 A 13 13 ARG N N 13 121.600 122.250 -0.650 1
1 139 . 5 1 1 A 14 14 LEU H H 14 7.710 8.217 -0.507 1
1 140 . 5 1 1 A 14 14 LEU HA H 14 4.120 4.108 0.012 1
1 150 . 5 1 1 A 14 14 LEU CA C 14 57.900 57.891 0.009 1
1 151 . 5 1 1 A 14 14 LEU CB C 14 41.900 41.374 0.526 1
1 155 . 5 1 1 A 14 14 LEU N N 14 117.100 119.632 -2.532 1
1 156 . 5 1 1 A 15 15 LYS H H 15 7.450 8.241 -0.791 1
1 157 . 5 1 1 A 15 15 LYS HA H 15 4.050 3.957 0.093 1
1 166 . 5 1 1 A 15 15 LYS CA C 15 59.100 58.985 0.115 1
1 167 . 5 1 1 A 15 15 LYS CB C 15 33.000 31.855 1.145 1
1 171 . 5 1 1 A 15 15 LYS N N 15 118.800 120.278 -1.478 1
1 172 . 5 1 1 A 16 16 TYR H H 16 8.640 7.929 0.711 1
1 173 . 5 1 1 A 16 16 TYR HA H 16 5.130 4.650 0.480 1
1 180 . 5 1 1 A 16 16 TYR CA C 16 58.900 60.513 -1.613 1
1 181 . 5 1 1 A 16 16 TYR CB C 16 37.100 38.063 -0.963 1
1 184 . 5 1 1 A 16 16 TYR N N 16 117.800 117.711 0.089 1
1 185 . 5 1 1 A 17 17 ARG H H 17 8.470 8.104 0.366 1
1 186 . 5 1 1 A 17 17 ARG HA H 17 4.230 4.208 0.022 1
1 193 . 5 1 1 A 17 17 ARG CA C 17 59.700 59.303 0.397 1
1 194 . 5 1 1 A 17 17 ARG CB C 17 29.800 29.761 0.039 1
1 197 . 5 1 1 A 17 17 ARG N N 17 124.000 122.761 1.239 1
1 198 . 5 1 1 A 18 18 GLN H H 18 7.740 7.818 -0.078 1
1 199 . 5 1 1 A 18 18 GLN HA H 18 4.190 4.260 -0.070 1
1 206 . 5 1 1 A 18 18 GLN CA C 18 59.300 57.829 1.471 1
1 207 . 5 1 1 A 18 18 GLN CB C 18 27.900 28.953 -1.053 1
1 209 . 5 1 1 A 18 18 GLN N N 18 118.000 117.002 0.998 1
1 211 . 5 1 1 A 19 19 LEU H H 19 7.770 7.912 -0.142 1
1 212 . 5 1 1 A 19 19 LEU HA H 19 4.400 4.603 -0.203 1
1 222 . 5 1 1 A 19 19 LEU CA C 19 58.000 53.975 4.025 1
1 223 . 5 1 1 A 19 19 LEU CB C 19 42.800 42.878 -0.078 1
1 227 . 5 1 1 A 19 19 LEU N N 19 120.500 120.918 -0.418 1
1 228 . 5 1 1 A 20 20 PHE H H 20 8.710 8.021 0.689 1
1 229 . 5 1 1 A 20 20 PHE HA H 20 3.330 3.785 -0.455 1
1 237 . 5 1 1 A 20 20 PHE CA C 20 62.400 62.142 0.258 1
1 238 . 5 1 1 A 20 20 PHE CB C 20 38.500 39.229 -0.729 1
1 242 . 5 1 1 A 20 20 PHE N N 20 121.900 121.897 0.003 1
1 243 . 5 1 1 A 21 21 ASN H H 21 8.770 9.147 -0.377 1
1 244 . 5 1 1 A 21 21 ASN HA H 21 4.380 4.585 -0.205 1
1 249 . 5 1 1 A 21 21 ASN CA C 21 55.400 56.577 -1.177 1
1 250 . 5 1 1 A 21 21 ASN CB C 21 37.600 39.515 -1.915 1
1 251 . 5 1 1 A 21 21 ASN N N 21 117.300 117.719 -0.419 1
1 253 . 5 1 1 A 22 22 SER H H 22 7.900 8.449 -0.549 1
1 254 . 5 1 1 A 22 22 SER HA H 22 4.180 4.194 -0.014 1
1 257 . 5 1 1 A 22 22 SER CA C 22 60.700 61.588 -0.888 1
1 258 . 5 1 1 A 22 22 SER CB C 22 62.900 63.089 -0.189 1
1 259 . 5 1 1 A 22 22 SER N N 22 114.800 116.109 -1.309 1
1 260 . 5 1 1 A 23 23 HIS H H 23 7.310 8.514 -1.204 1
1 261 . 5 1 1 A 23 23 HIS HA H 23 4.480 4.630 -0.150 1
1 266 . 5 1 1 A 23 23 HIS CA C 23 58.000 54.895 3.105 1
1 267 . 5 1 1 A 23 23 HIS CB C 23 32.400 29.474 2.926 1
1 270 . 5 1 1 A 23 23 HIS N N 23 118.900 115.734 3.166 1
1 271 . 5 1 1 A 24 24 ASP H H 24 7.870 8.031 -0.161 1
1 272 . 5 1 1 A 24 24 ASP HA H 24 4.850 4.482 0.368 1
1 275 . 5 1 1 A 24 24 ASP CA C 24 52.100 53.620 -1.520 1
1 276 . 5 1 1 A 24 24 ASP CB C 24 38.500 42.105 -3.605 1
1 277 . 5 1 1 A 24 24 ASP N N 24 122.400 122.377 0.023 1
1 278 . 5 1 1 A 25 25 LYS H H 25 7.900 9.048 -1.148 1
1 279 . 5 1 1 A 25 25 LYS HA H 25 4.070 4.519 -0.449 1
1 288 . 5 1 1 A 25 25 LYS CA C 25 58.600 57.210 1.390 1
1 289 . 5 1 1 A 25 25 LYS CB C 25 32.600 34.539 -1.939 1
1 293 . 5 1 1 A 25 25 LYS N N 25 122.400 124.867 -2.467 1
1 294 . 5 1 1 A 26 26 THR H H 26 8.120 7.866 0.254 1
1 295 . 5 1 1 A 26 26 THR HA H 26 4.340 4.742 -0.402 1
1 300 . 5 1 1 A 26 26 THR CA C 26 61.000 60.393 0.607 1
1 301 . 5 1 1 A 26 26 THR CB C 26 69.100 71.119 -2.019 1
1 303 . 5 1 1 A 26 26 THR N N 26 106.400 109.140 -2.740 1
1 304 . 5 1 1 A 27 27 MET H H 27 8.030 8.812 -0.782 1
1 305 . 5 1 1 A 27 27 MET HA H 27 3.980 4.547 -0.567 1
1 310 . 5 1 1 A 27 27 MET CA C 27 56.600 55.223 1.377 1
1 311 . 5 1 1 A 27 27 MET CB C 27 29.100 30.634 -1.534 1
1 313 . 5 1 1 A 27 27 MET N N 27 119.600 123.075 -3.475 1
1 314 . 5 1 1 A 28 28 SER H H 28 9.520 8.725 0.795 1
1 315 . 5 1 1 A 28 28 SER HA H 28 4.250 4.269 -0.019 1
1 318 . 5 1 1 A 28 28 SER CA C 28 60.500 59.034 1.466 1
1 319 . 5 1 1 A 28 28 SER CB C 28 64.400 61.634 2.766 1
1 320 . 5 1 1 A 28 28 SER N N 28 118.600 114.073 4.527 1
1 321 . 5 1 1 A 29 29 GLY H H 29 10.710 8.545 2.165 1
1 322 . 5 1 1 A 29 29 GLY HA2 H 29 4.380 3.872 0.508 1
1 323 . 5 1 1 A 29 29 GLY HA3 H 29 3.690 4.071 -0.381 1
1 324 . 5 1 1 A 29 29 GLY CA C 29 45.200 47.124 -1.924 1
1 325 . 5 1 1 A 29 29 GLY N N 29 113.800 112.695 1.105 1
1 326 . 5 1 1 A 30 30 HIS H H 30 7.870 8.632 -0.762 1
1 327 . 5 1 1 A 30 30 HIS HA H 30 5.520 5.514 0.006 1
1 332 . 5 1 1 A 30 30 HIS CA C 30 55.800 54.207 1.593 1
1 333 . 5 1 1 A 30 30 HIS CB C 30 32.800 32.917 -0.117 1
1 336 . 5 1 1 A 30 30 HIS N N 30 115.700 115.435 0.265 1
1 337 . 5 1 1 A 31 31 LEU H H 31 9.140 9.890 -0.750 1
1 338 . 5 1 1 A 31 31 LEU HA H 31 4.840 4.900 -0.060 1
1 348 . 5 1 1 A 31 31 LEU CA C 31 52.900 53.663 -0.763 1
1 349 . 5 1 1 A 31 31 LEU CB C 31 44.200 44.231 -0.031 1
1 353 . 5 1 1 A 31 31 LEU N N 31 117.200 120.502 -3.302 1
1 354 . 5 1 1 A 32 32 THR H H 32 8.680 8.747 -0.067 1
1 355 . 5 1 1 A 32 32 THR HA H 32 4.340 4.799 -0.459 1
1 360 . 5 1 1 A 32 32 THR CA C 32 61.500 60.524 0.976 1
1 361 . 5 1 1 A 32 32 THR CB C 32 70.200 71.617 -1.417 1
1 363 . 5 1 1 A 32 32 THR N N 32 113.400 114.398 -0.998 1
1 364 . 5 1 1 A 33 33 GLY H H 33 9.090 8.919 0.171 1
1 365 . 5 1 1 A 33 33 GLY HA2 H 33 3.970 3.922 0.048 1
1 366 . 5 1 1 A 33 33 GLY HA3 H 33 4.070 4.191 -0.121 1
1 367 . 5 1 1 A 33 33 GLY CA C 33 49.300 48.360 0.940 1
1 368 . 5 1 1 A 33 33 GLY N N 33 108.000 109.627 -1.627 1
1 369 . 5 1 1 A 34 34 PRO HA H 34 4.110 4.205 -0.095 1
1 376 . 5 1 1 A 34 34 PRO CA C 34 65.400 65.517 -0.117 1
1 377 . 5 1 1 A 34 34 PRO CB C 34 32.200 31.008 1.192 1
1 380 . 5 1 1 A 35 35 GLN H H 35 7.240 8.169 -0.929 1
1 381 . 5 1 1 A 35 35 GLN HA H 35 4.040 4.043 -0.003 1
1 388 . 5 1 1 A 35 35 GLN CA C 35 58.200 59.314 -1.114 1
1 389 . 5 1 1 A 35 35 GLN CB C 35 29.800 28.307 1.493 1
1 391 . 5 1 1 A 35 35 GLN N N 35 116.700 117.502 -0.802 1
1 393 . 5 1 1 A 36 36 ALA H H 36 9.180 8.711 0.469 1
1 394 . 5 1 1 A 36 36 ALA HA H 36 4.080 4.265 -0.185 1
1 398 . 5 1 1 A 36 36 ALA CA C 36 54.900 55.480 -0.580 1
1 399 . 5 1 1 A 36 36 ALA CB C 36 18.900 18.580 0.320 1
1 400 . 5 1 1 A 36 36 ALA N N 36 120.000 122.960 -2.960 1
1 401 . 5 1 1 A 37 37 ARG H H 37 9.060 8.542 0.518 1
1 402 . 5 1 1 A 37 37 ARG HA H 37 3.860 4.098 -0.238 1
1 409 . 5 1 1 A 37 37 ARG CA C 37 61.000 59.625 1.375 1
1 410 . 5 1 1 A 37 37 ARG CB C 37 29.900 29.822 0.078 1
1 413 . 5 1 1 A 37 37 ARG N N 37 117.200 117.667 -0.467 1
1 414 . 5 1 1 A 38 38 THR H H 38 7.620 8.314 -0.694 1
1 415 . 5 1 1 A 38 38 THR HA H 38 3.920 3.957 -0.037 1
1 420 . 5 1 1 A 38 38 THR CA C 38 66.900 67.039 -0.139 1
1 421 . 5 1 1 A 38 38 THR CB C 38 68.800 68.393 0.407 1
1 423 . 5 1 1 A 38 38 THR N N 38 114.600 118.617 -4.017 1
1 424 . 5 1 1 A 39 39 ILE H H 39 7.180 7.678 -0.498 1
1 425 . 5 1 1 A 39 39 ILE HA H 39 3.730 3.726 0.004 1
1 435 . 5 1 1 A 39 39 ILE CA C 39 64.900 64.131 0.769 1
1 436 . 5 1 1 A 39 39 ILE CB C 39 39.000 37.525 1.475 1
1 440 . 5 1 1 A 39 39 ILE N N 39 121.500 121.454 0.046 1
1 441 . 5 1 1 A 40 40 LEU H H 40 8.480 8.316 0.164 1
1 442 . 5 1 1 A 40 40 LEU HA H 40 3.870 3.895 -0.025 1
1 452 . 5 1 1 A 40 40 LEU CA C 40 58.500 57.892 0.608 1
1 453 . 5 1 1 A 40 40 LEU CB C 40 40.800 41.321 -0.521 1
1 457 . 5 1 1 A 40 40 LEU N N 40 119.900 120.019 -0.119 1
1 458 . 5 1 1 A 41 41 MET H H 41 8.160 8.407 -0.247 1
1 459 . 5 1 1 A 41 41 MET HA H 41 4.200 4.275 -0.075 1
1 464 . 5 1 1 A 41 41 MET CA C 41 57.700 57.376 0.324 1
1 465 . 5 1 1 A 41 41 MET CB C 41 32.500 31.486 1.014 1
1 467 . 5 1 1 A 41 41 MET N N 41 115.300 116.608 -1.308 1
1 468 . 5 1 1 A 42 42 GLN H H 42 7.600 7.538 0.062 1
1 469 . 5 1 1 A 42 42 GLN HA H 42 4.230 4.311 -0.081 1
1 476 . 5 1 1 A 42 42 GLN CA C 42 57.200 57.471 -0.271 1
1 477 . 5 1 1 A 42 42 GLN CB C 42 27.900 28.529 -0.629 1
1 479 . 5 1 1 A 42 42 GLN N N 42 118.900 119.072 -0.172 1
1 481 . 5 1 1 A 43 43 SER H H 43 7.670 7.910 -0.240 1
1 482 . 5 1 1 A 43 43 SER HA H 43 4.300 4.384 -0.084 1
1 485 . 5 1 1 A 43 43 SER CA C 43 59.800 60.806 -1.006 1
1 486 . 5 1 1 A 43 43 SER CB C 43 65.200 63.335 1.865 1
1 487 . 5 1 1 A 43 43 SER N N 43 113.900 116.057 -2.157 1
1 488 . 5 1 1 A 44 44 SER H H 44 8.040 7.975 0.065 1
1 489 . 5 1 1 A 44 44 SER HA H 44 4.300 4.634 -0.334 1
1 492 . 5 1 1 A 44 44 SER CA C 44 59.400 58.622 0.778 1
1 493 . 5 1 1 A 44 44 SER CB C 44 62.500 65.647 -3.147 1
1 494 . 5 1 1 A 44 44 SER N N 44 113.500 110.885 2.615 1
1 495 . 5 1 1 A 45 45 LEU H H 45 7.430 7.444 -0.014 1
1 496 . 5 1 1 A 45 45 LEU HA H 45 4.470 4.387 0.083 1
1 506 . 5 1 1 A 45 45 LEU CA C 45 53.300 53.680 -0.380 1
1 507 . 5 1 1 A 45 45 LEU CB C 45 41.700 41.476 0.224 1
1 511 . 5 1 1 A 45 45 LEU N N 45 121.900 122.026 -0.126 1
1 512 . 5 1 1 A 46 46 PRO HA H 46 4.460 4.669 -0.209 1
1 519 . 5 1 1 A 46 46 PRO CA C 46 62.500 62.009 0.491 1
1 520 . 5 1 1 A 46 46 PRO CB C 46 32.500 33.021 -0.521 1
1 523 . 5 1 1 A 47 47 GLN H H 47 8.820 8.619 0.201 1
1 524 . 5 1 1 A 47 47 GLN HA H 47 3.870 3.929 -0.059 1
1 531 . 5 1 1 A 47 47 GLN CA C 47 59.600 59.446 0.154 1
1 532 . 5 1 1 A 47 47 GLN CB C 47 28.100 28.394 -0.294 1
1 534 . 5 1 1 A 47 47 GLN N N 47 123.400 121.310 2.090 1
1 536 . 5 1 1 A 48 48 ALA H H 48 9.000 8.342 0.658 1
1 537 . 5 1 1 A 48 48 ALA HA H 48 4.150 4.069 0.081 1
1 541 . 5 1 1 A 48 48 ALA CA C 48 55.200 55.243 -0.043 1
1 542 . 5 1 1 A 48 48 ALA CB C 48 18.200 18.301 -0.101 1
1 543 . 5 1 1 A 48 48 ALA N N 48 119.800 122.253 -2.453 1
1 544 . 5 1 1 A 49 49 GLN H H 49 7.190 8.134 -0.944 1
1 545 . 5 1 1 A 49 49 GLN HA H 49 4.230 4.074 0.156 1
1 552 . 5 1 1 A 49 49 GLN CA C 49 58.600 58.695 -0.095 1
1 553 . 5 1 1 A 49 49 GLN CB C 49 29.400 28.200 1.200 1
1 555 . 5 1 1 A 49 49 GLN N N 49 115.800 117.286 -1.486 1
1 557 . 5 1 1 A 50 50 LEU H H 50 7.800 8.360 -0.560 1
1 558 . 5 1 1 A 50 50 LEU HA H 50 3.930 4.003 -0.073 1
1 568 . 5 1 1 A 50 50 LEU CA C 50 57.900 57.931 -0.031 1
1 569 . 5 1 1 A 50 50 LEU CB C 50 41.100 41.685 -0.585 1
1 573 . 5 1 1 A 50 50 LEU N N 50 119.800 120.768 -0.968 1
1 574 . 5 1 1 A 51 51 ALA H H 51 8.410 8.955 -0.545 1
1 575 . 5 1 1 A 51 51 ALA HA H 51 4.210 4.069 0.141 1
1 579 . 5 1 1 A 51 51 ALA CA C 51 55.100 55.365 -0.265 1
1 580 . 5 1 1 A 51 51 ALA CB C 51 17.500 17.884 -0.384 1
1 581 . 5 1 1 A 51 51 ALA N N 51 122.600 122.141 0.459 1
1 582 . 5 1 1 A 52 52 SER H H 52 7.530 7.558 -0.028 1
1 583 . 5 1 1 A 52 52 SER HA H 52 4.310 4.213 0.097 1
1 586 . 5 1 1 A 52 52 SER CA C 52 62.200 61.540 0.660 1
1 587 . 5 1 1 A 52 52 SER CB C 52 62.600 63.108 -0.508 1
1 588 . 5 1 1 A 52 52 SER N N 52 115.300 113.455 1.845 1
1 589 . 5 1 1 A 53 53 ILE H H 53 8.270 8.104 0.166 1
1 590 . 5 1 1 A 53 53 ILE HA H 53 3.430 3.681 -0.251 1
1 600 . 5 1 1 A 53 53 ILE CA C 53 66.300 65.122 1.178 1
1 601 . 5 1 1 A 53 53 ILE CB C 53 37.900 37.709 0.191 1
1 605 . 5 1 1 A 53 53 ILE N N 53 122.000 121.322 0.678 1
1 606 . 5 1 1 A 54 54 TRP H H 54 8.480 8.428 0.052 1
1 607 . 5 1 1 A 54 54 TRP HA H 54 3.720 4.086 -0.366 1
1 616 . 5 1 1 A 54 54 TRP CA C 54 61.400 60.765 0.635 1
1 617 . 5 1 1 A 54 54 TRP CB C 54 28.100 29.381 -1.281 1
1 623 . 5 1 1 A 54 54 TRP N N 54 122.100 121.803 0.297 1
1 625 . 5 1 1 A 55 55 ASN H H 55 7.860 8.678 -0.818 1
1 626 . 5 1 1 A 55 55 ASN HA H 55 4.350 4.525 -0.175 1
1 631 . 5 1 1 A 55 55 ASN CA C 55 55.900 56.379 -0.479 1
1 632 . 5 1 1 A 55 55 ASN CB C 55 38.500 40.015 -1.515 1
1 633 . 5 1 1 A 55 55 ASN N N 55 113.900 118.083 -4.183 1
1 635 . 5 1 1 A 56 56 LEU H H 56 8.020 8.094 -0.074 1
1 636 . 5 1 1 A 56 56 LEU HA H 56 3.990 4.094 -0.104 1
1 646 . 5 1 1 A 56 56 LEU CA C 56 56.700 57.813 -1.113 1
1 647 . 5 1 1 A 56 56 LEU CB C 56 43.900 41.293 2.607 1
1 651 . 5 1 1 A 56 56 LEU N N 56 117.500 119.549 -2.049 1
1 652 . 5 1 1 A 57 57 SER H H 57 7.280 7.920 -0.640 1
1 653 . 5 1 1 A 57 57 SER HA H 57 4.290 4.175 0.115 1
1 656 . 5 1 1 A 57 57 SER CA C 57 61.100 61.083 0.017 1
1 657 . 5 1 1 A 57 57 SER CB C 57 64.000 62.843 1.157 1
1 658 . 5 1 1 A 57 57 SER N N 57 111.100 113.384 -2.284 1
1 659 . 5 1 1 A 58 58 ASP H H 58 7.030 7.863 -0.833 1
1 660 . 5 1 1 A 58 58 ASP HA H 58 4.650 4.338 0.312 1
1 663 . 5 1 1 A 58 58 ASP CA C 58 51.400 53.719 -2.319 1
1 664 . 5 1 1 A 58 58 ASP CB C 58 37.200 41.129 -3.929 1
1 665 . 5 1 1 A 58 58 ASP N N 58 115.600 120.206 -4.606 1
1 666 . 5 1 1 A 59 59 ILE H H 59 8.630 8.151 0.479 1
1 667 . 5 1 1 A 59 59 ILE HA H 59 3.260 4.076 -0.816 1
1 677 . 5 1 1 A 59 59 ILE CA C 59 62.900 62.566 0.334 1
1 678 . 5 1 1 A 59 59 ILE CB C 59 36.600 38.073 -1.473 1
1 682 . 5 1 1 A 59 59 ILE N N 59 128.500 125.978 2.522 1
1 683 . 5 1 1 A 60 60 ASP H H 60 7.960 7.656 0.304 1
1 684 . 5 1 1 A 60 60 ASP HA H 60 4.480 4.787 -0.307 1
1 687 . 5 1 1 A 60 60 ASP CA C 60 52.300 54.018 -1.718 1
1 688 . 5 1 1 A 60 60 ASP CB C 60 39.100 41.512 -2.412 1
1 689 . 5 1 1 A 60 60 ASP N N 60 113.200 119.868 -6.668 1
1 690 . 5 1 1 A 61 61 GLN H H 61 7.550 8.180 -0.630 1
1 691 . 5 1 1 A 61 61 GLN HA H 61 3.800 4.212 -0.412 1
1 698 . 5 1 1 A 61 61 GLN CA C 61 57.100 56.992 0.108 1
1 699 . 5 1 1 A 61 61 GLN CB C 61 26.400 25.885 0.515 1
1 701 . 5 1 1 A 61 61 GLN N N 61 113.800 116.636 -2.836 1
1 703 . 5 1 1 A 62 62 ASP H H 62 8.390 7.649 0.741 1
1 704 . 5 1 1 A 62 62 ASP HA H 62 4.720 4.666 0.054 1
1 707 . 5 1 1 A 62 62 ASP CA C 62 52.800 54.674 -1.874 1
1 708 . 5 1 1 A 62 62 ASP CB C 62 41.000 41.418 -0.418 1
1 709 . 5 1 1 A 62 62 ASP N N 62 117.700 118.606 -0.906 1
1 710 . 5 1 1 A 63 63 GLY H H 63 10.840 8.487 2.353 1
1 711 . 5 1 1 A 63 63 GLY HA2 H 63 4.310 4.105 0.205 1
1 712 . 5 1 1 A 63 63 GLY HA3 H 63 3.880 4.373 -0.493 1
1 713 . 5 1 1 A 63 63 GLY CA C 63 46.200 45.737 0.463 1
1 714 . 5 1 1 A 63 63 GLY N N 63 114.200 107.811 6.389 1
1 715 . 5 1 1 A 64 64 LYS H H 64 8.070 7.845 0.225 1
1 716 . 5 1 1 A 64 64 LYS HA H 64 5.030 4.835 0.195 1
1 725 . 5 1 1 A 64 64 LYS CA C 64 54.200 54.467 -0.267 1
1 726 . 5 1 1 A 64 64 LYS CB C 64 36.100 34.855 1.245 1
1 730 . 5 1 1 A 64 64 LYS N N 64 117.400 120.454 -3.054 1
1 731 . 5 1 1 A 65 65 LEU H H 65 8.990 9.077 -0.087 1
1 732 . 5 1 1 A 65 65 LEU HA H 65 5.750 5.036 0.714 1
1 742 . 5 1 1 A 65 65 LEU CA C 65 52.900 53.312 -0.412 1
1 743 . 5 1 1 A 65 65 LEU CB C 65 43.600 43.136 0.464 1
1 747 . 5 1 1 A 65 65 LEU N N 65 120.700 124.206 -3.506 1
1 748 . 5 1 1 A 66 66 THR H H 66 10.210 8.850 1.360 1
1 749 . 5 1 1 A 66 66 THR HA H 66 4.910 4.827 0.083 1
1 754 . 5 1 1 A 66 66 THR CA C 66 60.900 60.889 0.011 1
1 755 . 5 1 1 A 66 66 THR CB C 66 71.200 71.371 -0.171 1
1 757 . 5 1 1 A 66 66 THR N N 66 116.300 117.360 -1.060 1
1 758 . 5 1 1 A 67 67 ALA H H 67 8.350 8.560 -0.210 1
1 759 . 5 1 1 A 67 67 ALA HA H 67 2.620 3.941 -1.321 1
1 763 . 5 1 1 A 67 67 ALA CA C 67 56.200 55.266 0.934 1
1 764 . 5 1 1 A 67 67 ALA CB C 67 18.000 17.625 0.375 1
1 765 . 5 1 1 A 67 67 ALA N N 67 122.000 123.817 -1.817 1
1 766 . 5 1 1 A 68 68 GLU H H 68 8.160 7.973 0.187 1
1 767 . 5 1 1 A 68 68 GLU HA H 68 4.180 4.276 -0.096 1
1 772 . 5 1 1 A 68 68 GLU CA C 68 60.500 59.495 1.005 1
1 773 . 5 1 1 A 68 68 GLU CB C 68 30.500 29.014 1.486 1
1 775 . 5 1 1 A 68 68 GLU N N 68 112.200 118.160 -5.960 1
1 776 . 5 1 1 A 69 69 GLU H H 69 7.280 7.720 -0.440 1
1 777 . 5 1 1 A 69 69 GLU HA H 69 4.030 3.999 0.031 1
1 782 . 5 1 1 A 69 69 GLU CA C 69 60.100 59.095 1.005 1
1 783 . 5 1 1 A 69 69 GLU CB C 69 31.800 29.133 2.667 1
1 785 . 5 1 1 A 69 69 GLU N N 69 117.400 120.801 -3.401 1
1 786 . 5 1 1 A 70 70 PHE H H 70 8.940 8.236 0.704 1
1 787 . 5 1 1 A 70 70 PHE HA H 70 4.130 4.135 -0.005 1
1 795 . 5 1 1 A 70 70 PHE CA C 70 61.900 61.518 0.382 1
1 796 . 5 1 1 A 70 70 PHE CB C 70 39.900 39.373 0.527 1
1 800 . 5 1 1 A 70 70 PHE N N 70 119.000 121.507 -2.507 1
1 801 . 5 1 1 A 71 71 ILE H H 71 8.890 8.709 0.181 1
1 802 . 5 1 1 A 71 71 ILE HA H 71 3.380 3.607 -0.227 1
1 812 . 5 1 1 A 71 71 ILE CA C 71 65.800 65.487 0.313 1
1 813 . 5 1 1 A 71 71 ILE CB C 71 39.100 37.759 1.341 1
1 817 . 5 1 1 A 71 71 ILE N N 71 119.800 120.903 -1.103 1
1 818 . 5 1 1 A 72 72 LEU H H 72 7.810 8.271 -0.461 1
1 819 . 5 1 1 A 72 72 LEU HA H 72 4.040 4.124 -0.084 1
1 829 . 5 1 1 A 72 72 LEU CA C 72 58.300 58.092 0.208 1
1 830 . 5 1 1 A 72 72 LEU CB C 72 42.600 41.853 0.747 1
1 834 . 5 1 1 A 72 72 LEU N N 72 118.100 121.607 -3.507 1
1 835 . 5 1 1 A 73 73 ALA H H 73 8.340 8.568 -0.228 1
1 836 . 5 1 1 A 73 73 ALA HA H 73 3.820 3.939 -0.119 1
1 840 . 5 1 1 A 73 73 ALA CA C 73 55.600 55.289 0.311 1
1 841 . 5 1 1 A 73 73 ALA CB C 73 17.600 18.268 -0.668 1
1 842 . 5 1 1 A 73 73 ALA N N 73 122.000 120.921 1.079 1
1 843 . 5 1 1 A 74 74 MET H H 74 7.840 8.021 -0.181 1
1 844 . 5 1 1 A 74 74 MET HA H 74 3.830 3.879 -0.049 1
1 852 . 5 1 1 A 74 74 MET CA C 74 55.400 57.982 -2.582 1
1 853 . 5 1 1 A 74 74 MET CB C 74 27.800 30.767 -2.967 1
1 856 . 5 1 1 A 74 74 MET N N 74 113.400 116.347 -2.947 1
1 857 . 5 1 1 A 75 75 HIS H H 75 8.340 7.906 0.434 1
1 858 . 5 1 1 A 75 75 HIS HA H 75 4.510 4.245 0.265 1
1 863 . 5 1 1 A 75 75 HIS CA C 75 60.000 59.410 0.590 1
1 864 . 5 1 1 A 75 75 HIS CB C 75 31.400 29.651 1.749 1
1 867 . 5 1 1 A 75 75 HIS N N 75 120.200 121.048 -0.848 1
1 868 . 5 1 1 A 76 76 LEU H H 76 8.750 8.073 0.677 1
1 869 . 5 1 1 A 76 76 LEU HA H 76 3.670 3.671 -0.001 1
1 879 . 5 1 1 A 76 76 LEU CA C 76 57.700 57.577 0.123 1
1 880 . 5 1 1 A 76 76 LEU CB C 76 41.400 41.145 0.255 1
1 884 . 5 1 1 A 76 76 LEU N N 76 118.600 119.137 -0.537 1
1 885 . 5 1 1 A 77 77 ILE H H 77 7.980 8.257 -0.277 1
1 886 . 5 1 1 A 77 77 ILE HA H 77 3.470 3.407 0.063 1
1 896 . 5 1 1 A 77 77 ILE CA C 77 66.000 64.923 1.077 1
1 897 . 5 1 1 A 77 77 ILE CB C 77 36.500 37.496 -0.996 1
1 901 . 5 1 1 A 77 77 ILE N N 77 120.900 120.146 0.754 1
1 902 . 5 1 1 A 78 78 ASP H H 78 7.490 8.387 -0.897 1
1 903 . 5 1 1 A 78 78 ASP HA H 78 4.300 4.241 0.059 1
1 906 . 5 1 1 A 78 78 ASP CA C 78 57.900 57.635 0.265 1
1 907 . 5 1 1 A 78 78 ASP CB C 78 39.000 42.001 -3.001 1
1 908 . 5 1 1 A 78 78 ASP N N 78 121.500 120.437 1.063 1
1 909 . 5 1 1 A 79 79 VAL H H 79 8.380 7.818 0.562 1
1 910 . 5 1 1 A 79 79 VAL HA H 79 3.390 3.481 -0.091 1
1 918 . 5 1 1 A 79 79 VAL CA C 79 66.400 66.449 -0.049 1
1 919 . 5 1 1 A 79 79 VAL CB C 79 31.700 31.417 0.283 1
1 922 . 5 1 1 A 79 79 VAL N N 79 122.400 119.321 3.079 1
1 923 . 5 1 1 A 80 80 ALA H H 80 8.730 8.218 0.512 1
1 924 . 5 1 1 A 80 80 ALA HA H 80 4.360 4.193 0.167 1
1 928 . 5 1 1 A 80 80 ALA CA C 80 54.800 55.182 -0.382 1
1 929 . 5 1 1 A 80 80 ALA CB C 80 18.100 17.934 0.166 1
1 930 . 5 1 1 A 80 80 ALA N N 80 125.200 121.559 3.641 1
1 931 . 5 1 1 A 81 81 MET H H 81 9.360 8.692 0.668 1
1 932 . 5 1 1 A 81 81 MET HA H 81 4.210 4.141 0.069 1
1 940 . 5 1 1 A 81 81 MET CA C 81 57.800 58.225 -0.425 1
1 941 . 5 1 1 A 81 81 MET CB C 81 31.800 32.361 -0.561 1
1 944 . 5 1 1 A 81 81 MET N N 81 119.600 118.875 0.725 1
1 945 . 5 1 1 A 82 82 SER H H 82 7.780 7.420 0.360 1
1 946 . 5 1 1 A 82 82 SER HA H 82 4.510 4.557 -0.047 1
1 949 . 5 1 1 A 82 82 SER CA C 82 59.500 58.168 1.332 1
1 950 . 5 1 1 A 82 82 SER CB C 82 64.000 63.378 0.622 1
1 951 . 5 1 1 A 82 82 SER N N 82 114.000 112.432 1.568 1
1 952 . 5 1 1 A 83 83 GLY H H 83 7.910 8.298 -0.388 1
1 953 . 5 1 1 A 83 83 GLY HA2 H 83 3.700 3.898 -0.198 1
1 954 . 5 1 1 A 83 83 GLY HA3 H 83 4.350 3.901 0.449 1
1 955 . 5 1 1 A 83 83 GLY CA C 83 44.900 45.683 -0.783 1
1 956 . 5 1 1 A 83 83 GLY N N 83 109.400 110.138 -0.738 1
1 957 . 5 1 1 A 84 84 GLN H H 84 7.100 7.555 -0.455 1
1 958 . 5 1 1 A 84 84 GLN HA H 84 4.530 4.739 -0.209 1
1 965 . 5 1 1 A 84 84 GLN CA C 84 53.100 52.541 0.559 1
1 966 . 5 1 1 A 84 84 GLN CB C 84 29.000 29.497 -0.497 1
1 968 . 5 1 1 A 84 84 GLN N N 84 120.700 120.187 0.513 1
1 970 . 5 1 1 A 85 85 PRO HA H 85 4.360 4.642 -0.282 1
1 977 . 5 1 1 A 85 85 PRO CA C 85 61.800 62.407 -0.607 1
1 978 . 5 1 1 A 85 85 PRO CB C 85 31.800 32.501 -0.701 1
1 981 . 5 1 1 A 86 86 LEU H H 86 8.360 8.435 -0.075 1
1 982 . 5 1 1 A 86 86 LEU HA H 86 4.380 4.730 -0.350 1
1 992 . 5 1 1 A 86 86 LEU CA C 86 51.600 52.619 -1.019 1
1 993 . 5 1 1 A 86 86 LEU CB C 86 41.000 41.518 -0.518 1
1 997 . 5 1 1 A 86 86 LEU N N 86 121.700 122.791 -1.091 1
1 998 . 5 1 1 A 87 87 PRO HA H 87 4.740 4.703 0.037 1
1 1005 . 5 1 1 A 87 87 PRO CA C 87 60.800 61.530 -0.730 1
1 1006 . 5 1 1 A 87 87 PRO CB C 87 30.900 32.057 -1.157 1
1 1009 . 5 1 1 A 88 88 PRO HA H 88 4.330 4.410 -0.080 1
1 1016 . 5 1 1 A 88 88 PRO CA C 88 63.900 64.740 -0.840 1
1 1017 . 5 1 1 A 88 88 PRO CB C 88 31.700 32.238 -0.538 1
1 1020 . 5 1 1 A 89 89 VAL H H 89 6.840 7.630 -0.790 1
1 1021 . 5 1 1 A 89 89 VAL HA H 89 4.030 4.847 -0.817 1
1 1029 . 5 1 1 A 89 89 VAL CA C 89 59.300 60.295 -0.995 1
1 1030 . 5 1 1 A 89 89 VAL CB C 89 35.500 36.023 -0.523 1
1 1033 . 5 1 1 A 89 89 VAL N N 89 112.700 117.255 -4.555 1
1 1034 . 5 1 1 A 90 90 LEU H H 90 8.990 8.873 0.117 1
1 1035 . 5 1 1 A 90 90 LEU HA H 90 4.150 4.919 -0.769 1
1 1045 . 5 1 1 A 90 90 LEU CA C 90 53.500 51.447 2.053 1
1 1046 . 5 1 1 A 90 90 LEU CB C 90 42.200 44.720 -2.520 1
1 1050 . 5 1 1 A 90 90 LEU N N 90 127.800 129.260 -1.460 1
1 1051 . 5 1 1 A 91 91 PRO HA H 91 4.830 4.739 0.091 1
1 1058 . 5 1 1 A 91 91 PRO CA C 91 61.100 61.836 -0.736 1
1 1059 . 5 1 1 A 91 91 PRO CB C 91 31.300 32.519 -1.219 1
1 1062 . 5 1 1 A 92 92 PRO HA H 92 4.230 4.204 0.026 1
1 1069 . 5 1 1 A 92 92 PRO CA C 92 65.100 65.505 -0.405 1
1 1070 . 5 1 1 A 92 92 PRO CB C 92 31.800 32.218 -0.418 1
1 1073 . 5 1 1 A 93 93 GLU H H 93 10.180 8.901 1.279 1
1 1074 . 5 1 1 A 93 93 GLU HA H 93 4.300 4.108 0.192 1
1 1079 . 5 1 1 A 93 93 GLU CA C 93 58.700 59.224 -0.524 1
1 1080 . 5 1 1 A 93 93 GLU CB C 93 27.500 28.782 -1.282 1
1 1082 . 5 1 1 A 93 93 GLU N N 93 116.400 117.420 -1.020 1
1 1083 . 5 1 1 A 94 94 TYR H H 94 8.510 7.807 0.703 1
1 1084 . 5 1 1 A 94 94 TYR HA H 94 4.510 4.779 -0.269 1
1 1091 . 5 1 1 A 94 94 TYR CA C 94 60.100 58.924 1.176 1
1 1092 . 5 1 1 A 94 94 TYR CB C 94 39.600 38.812 0.788 1
1 1095 . 5 1 1 A 94 94 TYR N N 94 119.400 115.684 3.716 1
1 1096 . 5 1 1 A 95 95 ILE H H 95 7.800 7.676 0.124 1
1 1097 . 5 1 1 A 95 95 ILE HA H 95 3.940 4.370 -0.430 1
1 1107 . 5 1 1 A 95 95 ILE CA C 95 60.200 58.323 1.877 1
1 1108 . 5 1 1 A 95 95 ILE CB C 95 37.800 37.953 -0.153 1
1 1112 . 5 1 1 A 95 95 ILE N N 95 124.500 121.870 2.630 1
1 1113 . 5 1 1 A 96 96 PRO HA H 96 2.770 3.966 -1.196 1
1 1120 . 5 1 1 A 96 96 PRO CA C 96 60.700 61.207 -0.507 1
1 1121 . 5 1 1 A 96 96 PRO CB C 96 31.400 31.214 0.186 1
1 1124 . 5 1 1 A 97 97 PRO HA H 97 3.680 4.255 -0.575 1
1 1131 . 5 1 1 A 97 97 PRO CA C 97 65.900 62.839 3.061 1
1 1132 . 5 1 1 A 97 97 PRO CB C 97 32.100 32.499 -0.399 1
1 1135 . 5 1 1 A 98 98 SER H H 98 9.160 8.562 0.598 1
1 1136 . 5 1 1 A 98 98 SER HA H 98 3.980 3.971 0.009 1
1 1139 . 5 1 1 A 98 98 SER CA C 98 60.900 60.929 -0.029 1
1 1140 . 5 1 1 A 98 98 SER CB C 98 62.200 61.363 0.837 1
1 1141 . 5 1 1 A 98 98 SER N N 98 112.400 111.487 0.913 1
1 1142 . 5 1 1 A 99 99 PHE H H 99 7.950 8.797 -0.847 1
1 1143 . 5 1 1 A 99 99 PHE HA H 99 4.470 4.399 0.071 1
1 1151 . 5 1 1 A 99 99 PHE CA C 99 58.500 61.621 -3.121 1
1 1152 . 5 1 1 A 99 99 PHE CB C 99 40.100 37.830 2.270 1
1 1156 . 5 1 1 A 99 99 PHE N N 99 118.800 119.013 -0.213 1
1 1157 . 5 1 1 A 100 100 ARG H H 100 7.350 8.398 -1.048 1
1 1158 . 5 1 1 A 100 100 ARG HA H 100 4.270 4.086 0.184 1
1 1165 . 5 1 1 A 100 100 ARG CA C 100 56.600 59.459 -2.859 1
1 1166 . 5 1 1 A 100 100 ARG CB C 100 30.300 30.249 0.051 1
1 1169 . 5 1 1 A 100 100 ARG N N 100 120.200 120.219 -0.019 1
1 1170 . 5 1 1 A 101 101 ARG H H 101 8.180 7.751 0.429 1
1 1171 . 5 1 1 A 101 101 ARG HA H 101 4.270 4.627 -0.357 1
1 1177 . 5 1 1 A 101 101 ARG CA C 101 56.700 55.007 1.693 1
1 1178 . 5 1 1 A 101 101 ARG CB C 101 30.700 31.159 -0.459 1
1 1181 . 5 1 1 A 101 101 ARG N N 101 121.100 116.383 4.717 1
1 1182 . 5 1 1 A 102 102 VAL H H 102 8.160 7.974 0.186 1
1 1183 . 5 1 1 A 102 102 VAL HA H 102 4.080 4.119 -0.039 1
1 1191 . 5 1 1 A 102 102 VAL CA C 102 62.500 62.367 0.133 1
1 1192 . 5 1 1 A 102 102 VAL CB C 102 32.700 31.783 0.917 1
1 1195 . 5 1 1 A 102 102 VAL N N 102 121.500 117.623 3.877 1
1 1196 . 5 1 1 A 103 103 ARG H H 103 7.920 7.577 0.343 1
1 1197 . 5 1 1 A 103 103 ARG HA H 103 4.160 4.688 -0.528 1
1 1204 . 5 1 1 A 103 103 ARG CA C 103 57.300 55.655 1.645 1
1 1205 . 5 1 1 A 103 103 ARG CB C 103 31.600 31.368 0.232 1
1 1208 . 5 1 1 A 103 103 ARG N N 103 129.400 121.079 8.321 1
1 1209 . 5 1 1 A 104 104 LEU H H 104 8.190 8.620 -0.430 1
1 1210 . 5 1 1 A 104 104 LEU N N 104 122.800 124.146 -1.346 1
1 1211 . 5 1 1 A 105 105 GLU H H 105 8.220 8.774 -0.554 1
1 8 . 6 1 1 A 2 2 PRO HA H 2 4.430 4.780 -0.350 1
1 15 . 6 1 1 A 2 2 PRO CA C 2 62.800 62.733 0.067 1
1 16 . 6 1 1 A 2 2 PRO CB C 2 31.900 30.983 0.917 1
1 19 . 6 1 1 A 3 3 VAL H H 3 8.130 8.655 -0.525 1
1 20 . 6 1 1 A 3 3 VAL HA H 3 4.030 3.950 0.080 1
1 28 . 6 1 1 A 3 3 VAL CA C 3 62.200 63.344 -1.144 1
1 29 . 6 1 1 A 3 3 VAL CB C 3 32.700 31.349 1.351 1
1 32 . 6 1 1 A 3 3 VAL N N 3 120.100 122.004 -1.904 1
1 33 . 6 1 1 A 4 4 ALA H H 4 8.330 8.254 0.076 1
1 34 . 6 1 1 A 4 4 ALA HA H 4 4.310 4.369 -0.059 1
1 38 . 6 1 1 A 4 4 ALA CA C 4 52.100 51.547 0.553 1
1 39 . 6 1 1 A 4 4 ALA CB C 4 19.400 17.470 1.930 1
1 40 . 6 1 1 A 4 4 ALA N N 4 127.300 127.227 0.073 1
1 41 . 6 1 1 A 5 5 GLU H H 5 8.290 8.026 0.264 1
1 42 . 6 1 1 A 5 5 GLU HA H 5 4.290 4.943 -0.653 1
1 47 . 6 1 1 A 5 5 GLU CA C 5 56.100 55.171 0.929 1
1 48 . 6 1 1 A 5 5 GLU CB C 5 30.500 32.432 -1.932 1
1 50 . 6 1 1 A 5 5 GLU N N 5 121.000 120.759 0.241 1
1 51 . 6 1 1 A 6 6 TRP H H 6 8.670 8.891 -0.221 1
1 52 . 6 1 1 A 6 6 TRP HA H 6 5.020 5.043 -0.023 1
1 61 . 6 1 1 A 6 6 TRP CA C 6 54.500 55.646 -1.146 1
1 62 . 6 1 1 A 6 6 TRP CB C 6 30.100 31.941 -1.841 1
1 68 . 6 1 1 A 6 6 TRP N N 6 124.900 128.497 -3.597 1
1 70 . 6 1 1 A 7 7 ALA H H 7 7.850 9.299 -1.449 1
1 71 . 6 1 1 A 7 7 ALA HA H 7 3.790 3.946 -0.156 1
1 75 . 6 1 1 A 7 7 ALA CA C 7 53.200 54.763 -1.563 1
1 76 . 6 1 1 A 7 7 ALA CB C 7 18.000 17.778 0.222 1
1 77 . 6 1 1 A 7 7 ALA N N 7 128.000 128.005 -0.005 1
1 78 . 6 1 1 A 8 8 VAL H H 8 5.280 7.055 -1.775 1
1 79 . 6 1 1 A 8 8 VAL HA H 8 2.850 3.811 -0.961 1
1 87 . 6 1 1 A 8 8 VAL CA C 8 59.700 59.714 -0.014 1
1 88 . 6 1 1 A 8 8 VAL CB C 8 31.600 32.144 -0.544 1
1 91 . 6 1 1 A 8 8 VAL N N 8 117.000 118.870 -1.870 1
1 92 . 6 1 1 A 9 9 PRO HA H 9 4.340 4.415 -0.075 1
1 99 . 6 1 1 A 9 9 PRO CA C 9 62.800 62.898 -0.098 1
1 100 . 6 1 1 A 9 9 PRO CB C 9 32.400 32.651 -0.251 1
1 103 . 6 1 1 A 10 10 GLN HA H 10 3.710 3.936 -0.226 1
1 110 . 6 1 1 A 10 10 GLN CA C 10 60.100 59.133 0.967 1
1 111 . 6 1 1 A 10 10 GLN CB C 10 28.000 28.339 -0.339 1
1 114 . 6 1 1 A 11 11 SER HA H 11 4.070 4.141 -0.071 1
1 117 . 6 1 1 A 11 11 SER CA C 11 61.400 61.812 -0.412 1
1 118 . 6 1 1 A 11 11 SER CB C 11 61.400 62.807 -1.407 1
1 119 . 6 1 1 A 12 12 SER H H 12 7.070 8.108 -1.038 1
1 120 . 6 1 1 A 12 12 SER HA H 12 3.990 3.934 0.056 1
1 123 . 6 1 1 A 12 12 SER CA C 12 61.500 61.314 0.186 1
1 124 . 6 1 1 A 12 12 SER CB C 12 61.500 62.746 -1.246 1
1 125 . 6 1 1 A 12 12 SER N N 12 119.300 118.006 1.294 1
1 126 . 6 1 1 A 13 13 ARG H H 13 8.000 7.940 0.060 1
1 127 . 6 1 1 A 13 13 ARG HA H 13 3.930 4.027 -0.097 1
1 134 . 6 1 1 A 13 13 ARG CA C 13 59.800 58.835 0.965 1
1 135 . 6 1 1 A 13 13 ARG CB C 13 30.300 29.854 0.446 1
1 138 . 6 1 1 A 13 13 ARG N N 13 121.600 122.055 -0.455 1
1 139 . 6 1 1 A 14 14 LEU H H 14 7.710 8.183 -0.473 1
1 140 . 6 1 1 A 14 14 LEU HA H 14 4.120 3.974 0.146 1
1 150 . 6 1 1 A 14 14 LEU CA C 14 57.900 57.876 0.024 1
1 151 . 6 1 1 A 14 14 LEU CB C 14 41.900 41.332 0.568 1
1 155 . 6 1 1 A 14 14 LEU N N 14 117.100 119.970 -2.870 1
1 156 . 6 1 1 A 15 15 LYS H H 15 7.450 7.646 -0.196 1
1 157 . 6 1 1 A 15 15 LYS HA H 15 4.050 4.289 -0.239 1
1 166 . 6 1 1 A 15 15 LYS CA C 15 59.100 58.927 0.173 1
1 167 . 6 1 1 A 15 15 LYS CB C 15 33.000 31.855 1.145 1
1 171 . 6 1 1 A 15 15 LYS N N 15 118.800 120.025 -1.225 1
1 172 . 6 1 1 A 16 16 TYR H H 16 8.640 7.460 1.180 1
1 173 . 6 1 1 A 16 16 TYR HA H 16 5.130 4.516 0.614 1
1 180 . 6 1 1 A 16 16 TYR CA C 16 58.900 61.926 -3.026 1
1 181 . 6 1 1 A 16 16 TYR CB C 16 37.100 37.911 -0.811 1
1 184 . 6 1 1 A 16 16 TYR N N 16 117.800 118.297 -0.497 1
1 185 . 6 1 1 A 17 17 ARG H H 17 8.470 8.401 0.069 1
1 186 . 6 1 1 A 17 17 ARG HA H 17 4.230 4.144 0.086 1
1 193 . 6 1 1 A 17 17 ARG CA C 17 59.700 59.235 0.465 1
1 194 . 6 1 1 A 17 17 ARG CB C 17 29.800 29.666 0.134 1
1 197 . 6 1 1 A 17 17 ARG N N 17 124.000 122.550 1.450 1
1 198 . 6 1 1 A 18 18 GLN H H 18 7.740 7.828 -0.088 1
1 199 . 6 1 1 A 18 18 GLN HA H 18 4.190 4.248 -0.058 1
1 206 . 6 1 1 A 18 18 GLN CA C 18 59.300 57.745 1.555 1
1 207 . 6 1 1 A 18 18 GLN CB C 18 27.900 29.058 -1.158 1
1 209 . 6 1 1 A 18 18 GLN N N 18 118.000 116.677 1.323 1
1 211 . 6 1 1 A 19 19 LEU H H 19 7.770 7.853 -0.083 1
1 212 . 6 1 1 A 19 19 LEU HA H 19 4.400 4.566 -0.166 1
1 222 . 6 1 1 A 19 19 LEU CA C 19 58.000 53.899 4.101 1
1 223 . 6 1 1 A 19 19 LEU CB C 19 42.800 42.808 -0.008 1
1 227 . 6 1 1 A 19 19 LEU N N 19 120.500 121.018 -0.518 1
1 228 . 6 1 1 A 20 20 PHE H H 20 8.710 7.689 1.021 1
1 229 . 6 1 1 A 20 20 PHE HA H 20 3.330 3.505 -0.175 1
1 237 . 6 1 1 A 20 20 PHE CA C 20 62.400 62.052 0.348 1
1 238 . 6 1 1 A 20 20 PHE CB C 20 38.500 39.070 -0.570 1
1 242 . 6 1 1 A 20 20 PHE N N 20 121.900 121.945 -0.045 1
1 243 . 6 1 1 A 21 21 ASN H H 21 8.770 8.945 -0.175 1
1 244 . 6 1 1 A 21 21 ASN HA H 21 4.380 4.517 -0.137 1
1 249 . 6 1 1 A 21 21 ASN CA C 21 55.400 56.524 -1.124 1
1 250 . 6 1 1 A 21 21 ASN CB C 21 37.600 39.569 -1.969 1
1 251 . 6 1 1 A 21 21 ASN N N 21 117.300 117.562 -0.262 1
1 253 . 6 1 1 A 22 22 SER H H 22 7.900 8.826 -0.926 1
1 254 . 6 1 1 A 22 22 SER HA H 22 4.180 4.146 0.034 1
1 257 . 6 1 1 A 22 22 SER CA C 22 60.700 61.568 -0.868 1
1 258 . 6 1 1 A 22 22 SER CB C 22 62.900 63.066 -0.166 1
1 259 . 6 1 1 A 22 22 SER N N 22 114.800 116.096 -1.296 1
1 260 . 6 1 1 A 23 23 HIS H H 23 7.310 8.315 -1.005 1
1 261 . 6 1 1 A 23 23 HIS HA H 23 4.480 4.674 -0.194 1
1 266 . 6 1 1 A 23 23 HIS CA C 23 58.000 55.130 2.870 1
1 267 . 6 1 1 A 23 23 HIS CB C 23 32.400 29.749 2.651 1
1 270 . 6 1 1 A 23 23 HIS N N 23 118.900 115.859 3.041 1
1 271 . 6 1 1 A 24 24 ASP H H 24 7.870 7.793 0.077 1
1 272 . 6 1 1 A 24 24 ASP HA H 24 4.850 4.679 0.171 1
1 275 . 6 1 1 A 24 24 ASP CA C 24 52.100 52.715 -0.615 1
1 276 . 6 1 1 A 24 24 ASP CB C 24 38.500 42.655 -4.155 1
1 277 . 6 1 1 A 24 24 ASP N N 24 122.400 121.109 1.291 1
1 278 . 6 1 1 A 25 25 LYS H H 25 7.900 8.577 -0.677 1
1 279 . 6 1 1 A 25 25 LYS HA H 25 4.070 4.271 -0.201 1
1 288 . 6 1 1 A 25 25 LYS CA C 25 58.600 57.913 0.687 1
1 289 . 6 1 1 A 25 25 LYS CB C 25 32.600 32.749 -0.149 1
1 293 . 6 1 1 A 25 25 LYS N N 25 122.400 122.317 0.083 1
1 294 . 6 1 1 A 26 26 THR H H 26 8.120 8.064 0.056 1
1 295 . 6 1 1 A 26 26 THR HA H 26 4.340 4.270 0.070 1
1 300 . 6 1 1 A 26 26 THR CA C 26 61.000 64.480 -3.480 1
1 301 . 6 1 1 A 26 26 THR CB C 26 69.100 69.310 -0.210 1
1 303 . 6 1 1 A 26 26 THR N N 26 106.400 114.787 -8.387 1
1 304 . 6 1 1 A 27 27 MET H H 27 8.030 8.132 -0.102 1
1 305 . 6 1 1 A 27 27 MET HA H 27 3.980 4.730 -0.750 1
1 310 . 6 1 1 A 27 27 MET CA C 27 56.600 56.660 -0.060 1
1 311 . 6 1 1 A 27 27 MET CB C 27 29.100 35.340 -6.240 1
1 313 . 6 1 1 A 27 27 MET N N 27 119.600 114.912 4.688 1
1 314 . 6 1 1 A 28 28 SER H H 28 9.520 8.038 1.482 1
1 315 . 6 1 1 A 28 28 SER HA H 28 4.250 4.762 -0.512 1
1 318 . 6 1 1 A 28 28 SER CA C 28 60.500 57.447 3.053 1
1 319 . 6 1 1 A 28 28 SER CB C 28 64.400 64.154 0.246 1
1 320 . 6 1 1 A 28 28 SER N N 28 118.600 114.557 4.043 1
1 321 . 6 1 1 A 29 29 GLY H H 29 10.710 8.636 2.074 1
1 322 . 6 1 1 A 29 29 GLY HA2 H 29 4.380 3.928 0.452 1
1 323 . 6 1 1 A 29 29 GLY HA3 H 29 3.690 3.981 -0.291 1
1 324 . 6 1 1 A 29 29 GLY CA C 29 45.200 45.898 -0.698 1
1 325 . 6 1 1 A 29 29 GLY N N 29 113.800 111.158 2.642 1
1 326 . 6 1 1 A 30 30 HIS H H 30 7.870 8.319 -0.449 1
1 327 . 6 1 1 A 30 30 HIS HA H 30 5.520 4.866 0.654 1
1 332 . 6 1 1 A 30 30 HIS CA C 30 55.800 56.292 -0.492 1
1 333 . 6 1 1 A 30 30 HIS CB C 30 32.800 28.993 3.807 1
1 336 . 6 1 1 A 30 30 HIS N N 30 115.700 115.905 -0.205 1
1 337 . 6 1 1 A 31 31 LEU H H 31 9.140 9.841 -0.701 1
1 338 . 6 1 1 A 31 31 LEU HA H 31 4.840 5.074 -0.234 1
1 348 . 6 1 1 A 31 31 LEU CA C 31 52.900 53.691 -0.791 1
1 349 . 6 1 1 A 31 31 LEU CB C 31 44.200 44.782 -0.582 1
1 353 . 6 1 1 A 31 31 LEU N N 31 117.200 121.287 -4.087 1
1 354 . 6 1 1 A 32 32 THR H H 32 8.680 8.789 -0.109 1
1 355 . 6 1 1 A 32 32 THR HA H 32 4.340 4.782 -0.442 1
1 360 . 6 1 1 A 32 32 THR CA C 32 61.500 60.294 1.206 1
1 361 . 6 1 1 A 32 32 THR CB C 32 70.200 71.356 -1.156 1
1 363 . 6 1 1 A 32 32 THR N N 32 113.400 115.217 -1.817 1
1 364 . 6 1 1 A 33 33 GLY H H 33 9.090 8.929 0.161 1
1 365 . 6 1 1 A 33 33 GLY HA2 H 33 3.970 3.905 0.065 1
1 366 . 6 1 1 A 33 33 GLY HA3 H 33 4.070 4.190 -0.120 1
1 367 . 6 1 1 A 33 33 GLY CA C 33 49.300 48.318 0.982 1
1 368 . 6 1 1 A 33 33 GLY N N 33 108.000 109.528 -1.528 1
1 369 . 6 1 1 A 34 34 PRO HA H 34 4.110 4.161 -0.051 1
1 376 . 6 1 1 A 34 34 PRO CA C 34 65.400 65.484 -0.084 1
1 377 . 6 1 1 A 34 34 PRO CB C 34 32.200 31.046 1.154 1
1 380 . 6 1 1 A 35 35 GLN H H 35 7.240 8.161 -0.921 1
1 381 . 6 1 1 A 35 35 GLN HA H 35 4.040 4.052 -0.012 1
1 388 . 6 1 1 A 35 35 GLN CA C 35 58.200 59.302 -1.102 1
1 389 . 6 1 1 A 35 35 GLN CB C 35 29.800 28.296 1.504 1
1 391 . 6 1 1 A 35 35 GLN N N 35 116.700 117.488 -0.788 1
1 393 . 6 1 1 A 36 36 ALA H H 36 9.180 8.786 0.394 1
1 394 . 6 1 1 A 36 36 ALA HA H 36 4.080 4.271 -0.191 1
1 398 . 6 1 1 A 36 36 ALA CA C 36 54.900 55.538 -0.638 1
1 399 . 6 1 1 A 36 36 ALA CB C 36 18.900 18.568 0.332 1
1 400 . 6 1 1 A 36 36 ALA N N 36 120.000 122.979 -2.979 1
1 401 . 6 1 1 A 37 37 ARG H H 37 9.060 8.445 0.615 1
1 402 . 6 1 1 A 37 37 ARG HA H 37 3.860 4.010 -0.150 1
1 409 . 6 1 1 A 37 37 ARG CA C 37 61.000 59.244 1.756 1
1 410 . 6 1 1 A 37 37 ARG CB C 37 29.900 29.703 0.197 1
1 413 . 6 1 1 A 37 37 ARG N N 37 117.200 117.426 -0.226 1
1 414 . 6 1 1 A 38 38 THR H H 38 7.620 8.170 -0.550 1
1 415 . 6 1 1 A 38 38 THR HA H 38 3.920 3.923 -0.003 1
1 420 . 6 1 1 A 38 38 THR CA C 38 66.900 66.889 0.011 1
1 421 . 6 1 1 A 38 38 THR CB C 38 68.800 67.891 0.909 1
1 423 . 6 1 1 A 38 38 THR N N 38 114.600 117.443 -2.843 1
1 424 . 6 1 1 A 39 39 ILE H H 39 7.180 7.415 -0.235 1
1 425 . 6 1 1 A 39 39 ILE HA H 39 3.730 3.731 -0.001 1
1 435 . 6 1 1 A 39 39 ILE CA C 39 64.900 64.074 0.826 1
1 436 . 6 1 1 A 39 39 ILE CB C 39 39.000 37.386 1.614 1
1 440 . 6 1 1 A 39 39 ILE N N 39 121.500 121.623 -0.123 1
1 441 . 6 1 1 A 40 40 LEU H H 40 8.480 8.248 0.232 1
1 442 . 6 1 1 A 40 40 LEU HA H 40 3.870 3.889 -0.019 1
1 452 . 6 1 1 A 40 40 LEU CA C 40 58.500 57.871 0.629 1
1 453 . 6 1 1 A 40 40 LEU CB C 40 40.800 41.438 -0.638 1
1 457 . 6 1 1 A 40 40 LEU N N 40 119.900 120.048 -0.148 1
1 458 . 6 1 1 A 41 41 MET H H 41 8.160 8.753 -0.593 1
1 459 . 6 1 1 A 41 41 MET HA H 41 4.200 4.243 -0.043 1
1 464 . 6 1 1 A 41 41 MET CA C 41 57.700 57.864 -0.164 1
1 465 . 6 1 1 A 41 41 MET CB C 41 32.500 32.353 0.147 1
1 467 . 6 1 1 A 41 41 MET N N 41 115.300 118.676 -3.376 1
1 468 . 6 1 1 A 42 42 GLN H H 42 7.600 7.616 -0.016 1
1 469 . 6 1 1 A 42 42 GLN HA H 42 4.230 4.226 0.004 1
1 476 . 6 1 1 A 42 42 GLN CA C 42 57.200 57.937 -0.737 1
1 477 . 6 1 1 A 42 42 GLN CB C 42 27.900 28.636 -0.736 1
1 479 . 6 1 1 A 42 42 GLN N N 42 118.900 118.946 -0.046 1
1 481 . 6 1 1 A 43 43 SER H H 43 7.670 7.668 0.002 1
1 482 . 6 1 1 A 43 43 SER HA H 43 4.300 4.516 -0.216 1
1 485 . 6 1 1 A 43 43 SER CA C 43 59.800 58.655 1.145 1
1 486 . 6 1 1 A 43 43 SER CB C 43 65.200 63.724 1.476 1
1 487 . 6 1 1 A 43 43 SER N N 43 113.900 113.789 0.111 1
1 488 . 6 1 1 A 44 44 SER H H 44 8.040 8.099 -0.059 1
1 489 . 6 1 1 A 44 44 SER HA H 44 4.300 4.057 0.243 1
1 492 . 6 1 1 A 44 44 SER CA C 44 59.400 59.304 0.096 1
1 493 . 6 1 1 A 44 44 SER CB C 44 62.500 62.277 0.223 1
1 494 . 6 1 1 A 44 44 SER N N 44 113.500 116.261 -2.761 1
1 495 . 6 1 1 A 45 45 LEU H H 45 7.430 7.886 -0.456 1
1 496 . 6 1 1 A 45 45 LEU HA H 45 4.470 4.346 0.124 1
1 506 . 6 1 1 A 45 45 LEU CA C 45 53.300 53.409 -0.109 1
1 507 . 6 1 1 A 45 45 LEU CB C 45 41.700 41.215 0.485 1
1 511 . 6 1 1 A 45 45 LEU N N 45 121.900 121.788 0.112 1
1 512 . 6 1 1 A 46 46 PRO HA H 46 4.460 4.563 -0.103 1
1 519 . 6 1 1 A 46 46 PRO CA C 46 62.500 62.526 -0.026 1
1 520 . 6 1 1 A 46 46 PRO CB C 46 32.500 32.681 -0.181 1
1 523 . 6 1 1 A 47 47 GLN H H 47 8.820 8.584 0.236 1
1 524 . 6 1 1 A 47 47 GLN HA H 47 3.870 3.965 -0.095 1
1 531 . 6 1 1 A 47 47 GLN CA C 47 59.600 58.438 1.162 1
1 532 . 6 1 1 A 47 47 GLN CB C 47 28.100 27.960 0.140 1
1 534 . 6 1 1 A 47 47 GLN N N 47 123.400 122.011 1.389 1
1 536 . 6 1 1 A 48 48 ALA H H 48 9.000 8.255 0.745 1
1 537 . 6 1 1 A 48 48 ALA HA H 48 4.150 4.027 0.123 1
1 541 . 6 1 1 A 48 48 ALA CA C 48 55.200 55.342 -0.142 1
1 542 . 6 1 1 A 48 48 ALA CB C 48 18.200 18.226 -0.026 1
1 543 . 6 1 1 A 48 48 ALA N N 48 119.800 122.728 -2.928 1
1 544 . 6 1 1 A 49 49 GLN H H 49 7.190 8.092 -0.902 1
1 545 . 6 1 1 A 49 49 GLN HA H 49 4.230 4.077 0.153 1
1 552 . 6 1 1 A 49 49 GLN CA C 49 58.600 58.689 -0.089 1
1 553 . 6 1 1 A 49 49 GLN CB C 49 29.400 28.198 1.202 1
1 555 . 6 1 1 A 49 49 GLN N N 49 115.800 117.517 -1.717 1
1 557 . 6 1 1 A 50 50 LEU H H 50 7.800 8.293 -0.493 1
1 558 . 6 1 1 A 50 50 LEU HA H 50 3.930 3.978 -0.048 1
1 568 . 6 1 1 A 50 50 LEU CA C 50 57.900 57.957 -0.057 1
1 569 . 6 1 1 A 50 50 LEU CB C 50 41.100 41.463 -0.363 1
1 573 . 6 1 1 A 50 50 LEU N N 50 119.800 120.763 -0.963 1
1 574 . 6 1 1 A 51 51 ALA H H 51 8.410 8.451 -0.041 1
1 575 . 6 1 1 A 51 51 ALA HA H 51 4.210 4.067 0.143 1
1 579 . 6 1 1 A 51 51 ALA CA C 51 55.100 55.176 -0.076 1
1 580 . 6 1 1 A 51 51 ALA CB C 51 17.500 18.136 -0.636 1
1 581 . 6 1 1 A 51 51 ALA N N 51 122.600 122.475 0.125 1
1 582 . 6 1 1 A 52 52 SER H H 52 7.530 7.341 0.189 1
1 583 . 6 1 1 A 52 52 SER HA H 52 4.310 4.252 0.058 1
1 586 . 6 1 1 A 52 52 SER CA C 52 62.200 61.495 0.705 1
1 587 . 6 1 1 A 52 52 SER CB C 52 62.600 62.890 -0.290 1
1 588 . 6 1 1 A 52 52 SER N N 52 115.300 113.606 1.694 1
1 589 . 6 1 1 A 53 53 ILE H H 53 8.270 8.042 0.228 1
1 590 . 6 1 1 A 53 53 ILE HA H 53 3.430 3.630 -0.200 1
1 600 . 6 1 1 A 53 53 ILE CA C 53 66.300 64.716 1.584 1
1 601 . 6 1 1 A 53 53 ILE CB C 53 37.900 37.272 0.628 1
1 605 . 6 1 1 A 53 53 ILE N N 53 122.000 121.336 0.664 1
1 606 . 6 1 1 A 54 54 TRP H H 54 8.480 8.564 -0.084 1
1 607 . 6 1 1 A 54 54 TRP HA H 54 3.720 4.405 -0.685 1
1 616 . 6 1 1 A 54 54 TRP CA C 54 61.400 60.501 0.899 1
1 617 . 6 1 1 A 54 54 TRP CB C 54 28.100 29.528 -1.428 1
1 623 . 6 1 1 A 54 54 TRP N N 54 122.100 121.313 0.787 1
1 625 . 6 1 1 A 55 55 ASN H H 55 7.860 8.180 -0.320 1
1 626 . 6 1 1 A 55 55 ASN HA H 55 4.350 4.488 -0.138 1
1 631 . 6 1 1 A 55 55 ASN CA C 55 55.900 56.361 -0.461 1
1 632 . 6 1 1 A 55 55 ASN CB C 55 38.500 40.060 -1.560 1
1 633 . 6 1 1 A 55 55 ASN N N 55 113.900 117.784 -3.884 1
1 635 . 6 1 1 A 56 56 LEU H H 56 8.020 8.126 -0.106 1
1 636 . 6 1 1 A 56 56 LEU HA H 56 3.990 4.089 -0.099 1
1 646 . 6 1 1 A 56 56 LEU CA C 56 56.700 57.676 -0.976 1
1 647 . 6 1 1 A 56 56 LEU CB C 56 43.900 41.288 2.612 1
1 651 . 6 1 1 A 56 56 LEU N N 56 117.500 119.643 -2.143 1
1 652 . 6 1 1 A 57 57 SER H H 57 7.280 7.712 -0.432 1
1 653 . 6 1 1 A 57 57 SER HA H 57 4.290 4.229 0.061 1
1 656 . 6 1 1 A 57 57 SER CA C 57 61.100 61.134 -0.034 1
1 657 . 6 1 1 A 57 57 SER CB C 57 64.000 62.590 1.410 1
1 658 . 6 1 1 A 57 57 SER N N 57 111.100 112.798 -1.698 1
1 659 . 6 1 1 A 58 58 ASP H H 58 7.030 7.915 -0.885 1
1 660 . 6 1 1 A 58 58 ASP HA H 58 4.650 4.217 0.433 1
1 663 . 6 1 1 A 58 58 ASP CA C 58 51.400 53.803 -2.403 1
1 664 . 6 1 1 A 58 58 ASP CB C 58 37.200 40.680 -3.480 1
1 665 . 6 1 1 A 58 58 ASP N N 58 115.600 120.588 -4.988 1
1 666 . 6 1 1 A 59 59 ILE H H 59 8.630 8.643 -0.013 1
1 667 . 6 1 1 A 59 59 ILE HA H 59 3.260 4.114 -0.854 1
1 677 . 6 1 1 A 59 59 ILE CA C 59 62.900 62.721 0.179 1
1 678 . 6 1 1 A 59 59 ILE CB C 59 36.600 39.025 -2.425 1
1 682 . 6 1 1 A 59 59 ILE N N 59 128.500 126.177 2.323 1
1 683 . 6 1 1 A 60 60 ASP H H 60 7.960 7.584 0.376 1
1 684 . 6 1 1 A 60 60 ASP HA H 60 4.480 4.891 -0.411 1
1 687 . 6 1 1 A 60 60 ASP CA C 60 52.300 54.374 -2.074 1
1 688 . 6 1 1 A 60 60 ASP CB C 60 39.100 43.136 -4.036 1
1 689 . 6 1 1 A 60 60 ASP N N 60 113.200 119.126 -5.926 1
1 690 . 6 1 1 A 61 61 GLN H H 61 7.550 7.657 -0.107 1
1 691 . 6 1 1 A 61 61 GLN HA H 61 3.800 4.352 -0.552 1
1 698 . 6 1 1 A 61 61 GLN CA C 61 57.100 55.448 1.652 1
1 699 . 6 1 1 A 61 61 GLN CB C 61 26.400 29.694 -3.294 1
1 701 . 6 1 1 A 61 61 GLN N N 61 113.800 116.120 -2.320 1
1 703 . 6 1 1 A 62 62 ASP H H 62 8.390 8.653 -0.263 1
1 704 . 6 1 1 A 62 62 ASP HA H 62 4.720 4.488 0.232 1
1 707 . 6 1 1 A 62 62 ASP CA C 62 52.800 55.282 -2.482 1
1 708 . 6 1 1 A 62 62 ASP CB C 62 41.000 40.119 0.881 1
1 709 . 6 1 1 A 62 62 ASP N N 62 117.700 118.642 -0.942 1
1 710 . 6 1 1 A 63 63 GLY H H 63 10.840 8.440 2.400 1
1 711 . 6 1 1 A 63 63 GLY HA2 H 63 4.310 4.243 0.067 1
1 712 . 6 1 1 A 63 63 GLY HA3 H 63 3.880 4.508 -0.628 1
1 713 . 6 1 1 A 63 63 GLY CA C 63 46.200 45.508 0.692 1
1 714 . 6 1 1 A 63 63 GLY N N 63 114.200 105.212 8.988 1
1 715 . 6 1 1 A 64 64 LYS H H 64 8.070 7.764 0.306 1
1 716 . 6 1 1 A 64 64 LYS HA H 64 5.030 5.135 -0.105 1
1 725 . 6 1 1 A 64 64 LYS CA C 64 54.200 54.643 -0.443 1
1 726 . 6 1 1 A 64 64 LYS CB C 64 36.100 36.807 -0.707 1
1 730 . 6 1 1 A 64 64 LYS N N 64 117.400 119.804 -2.404 1
1 731 . 6 1 1 A 65 65 LEU H H 65 8.990 9.189 -0.199 1
1 732 . 6 1 1 A 65 65 LEU HA H 65 5.750 4.836 0.914 1
1 742 . 6 1 1 A 65 65 LEU CA C 65 52.900 53.329 -0.429 1
1 743 . 6 1 1 A 65 65 LEU CB C 65 43.600 44.165 -0.565 1
1 747 . 6 1 1 A 65 65 LEU N N 65 120.700 122.349 -1.649 1
1 748 . 6 1 1 A 66 66 THR H H 66 10.210 9.076 1.134 1
1 749 . 6 1 1 A 66 66 THR HA H 66 4.910 4.738 0.172 1
1 754 . 6 1 1 A 66 66 THR CA C 66 60.900 60.983 -0.083 1
1 755 . 6 1 1 A 66 66 THR CB C 66 71.200 71.151 0.049 1
1 757 . 6 1 1 A 66 66 THR N N 66 116.300 117.819 -1.519 1
1 758 . 6 1 1 A 67 67 ALA H H 67 8.350 8.583 -0.233 1
1 759 . 6 1 1 A 67 67 ALA HA H 67 2.620 3.530 -0.910 1
1 763 . 6 1 1 A 67 67 ALA CA C 67 56.200 54.803 1.397 1
1 764 . 6 1 1 A 67 67 ALA CB C 67 18.000 17.452 0.548 1
1 765 . 6 1 1 A 67 67 ALA N N 67 122.000 123.556 -1.556 1
1 766 . 6 1 1 A 68 68 GLU H H 68 8.160 8.016 0.144 1
1 767 . 6 1 1 A 68 68 GLU HA H 68 4.180 4.358 -0.178 1
1 772 . 6 1 1 A 68 68 GLU CA C 68 60.500 59.757 0.743 1
1 773 . 6 1 1 A 68 68 GLU CB C 68 30.500 29.552 0.948 1
1 775 . 6 1 1 A 68 68 GLU N N 68 112.200 118.027 -5.827 1
1 776 . 6 1 1 A 69 69 GLU H H 69 7.280 7.727 -0.447 1
1 777 . 6 1 1 A 69 69 GLU HA H 69 4.030 4.083 -0.053 1
1 782 . 6 1 1 A 69 69 GLU CA C 69 60.100 58.785 1.315 1
1 783 . 6 1 1 A 69 69 GLU CB C 69 31.800 29.325 2.475 1
1 785 . 6 1 1 A 69 69 GLU N N 69 117.400 120.345 -2.945 1
1 786 . 6 1 1 A 70 70 PHE H H 70 8.940 8.411 0.529 1
1 787 . 6 1 1 A 70 70 PHE HA H 70 4.130 4.158 -0.028 1
1 795 . 6 1 1 A 70 70 PHE CA C 70 61.900 61.350 0.550 1
1 796 . 6 1 1 A 70 70 PHE CB C 70 39.900 39.526 0.374 1
1 800 . 6 1 1 A 70 70 PHE N N 70 119.000 122.289 -3.289 1
1 801 . 6 1 1 A 71 71 ILE H H 71 8.890 8.559 0.331 1
1 802 . 6 1 1 A 71 71 ILE HA H 71 3.380 3.725 -0.345 1
1 812 . 6 1 1 A 71 71 ILE CA C 71 65.800 65.543 0.257 1
1 813 . 6 1 1 A 71 71 ILE CB C 71 39.100 37.912 1.188 1
1 817 . 6 1 1 A 71 71 ILE N N 71 119.800 120.970 -1.170 1
1 818 . 6 1 1 A 72 72 LEU H H 72 7.810 8.058 -0.248 1
1 819 . 6 1 1 A 72 72 LEU HA H 72 4.040 3.985 0.055 1
1 829 . 6 1 1 A 72 72 LEU CA C 72 58.300 57.908 0.392 1
1 830 . 6 1 1 A 72 72 LEU CB C 72 42.600 41.435 1.165 1
1 834 . 6 1 1 A 72 72 LEU N N 72 118.100 120.992 -2.892 1
1 835 . 6 1 1 A 73 73 ALA H H 73 8.340 8.054 0.286 1
1 836 . 6 1 1 A 73 73 ALA HA H 73 3.820 3.953 -0.133 1
1 840 . 6 1 1 A 73 73 ALA CA C 73 55.600 55.367 0.233 1
1 841 . 6 1 1 A 73 73 ALA CB C 73 17.600 18.300 -0.700 1
1 842 . 6 1 1 A 73 73 ALA N N 73 122.000 120.821 1.179 1
1 843 . 6 1 1 A 74 74 MET H H 74 7.840 8.076 -0.236 1
1 844 . 6 1 1 A 74 74 MET HA H 74 3.830 3.973 -0.143 1
1 852 . 6 1 1 A 74 74 MET CA C 74 55.400 57.896 -2.496 1
1 853 . 6 1 1 A 74 74 MET CB C 74 27.800 31.176 -3.376 1
1 856 . 6 1 1 A 74 74 MET N N 74 113.400 116.775 -3.375 1
1 857 . 6 1 1 A 75 75 HIS H H 75 8.340 7.644 0.696 1
1 858 . 6 1 1 A 75 75 HIS HA H 75 4.510 4.247 0.263 1
1 863 . 6 1 1 A 75 75 HIS CA C 75 60.000 59.327 0.673 1
1 864 . 6 1 1 A 75 75 HIS CB C 75 31.400 29.938 1.462 1
1 867 . 6 1 1 A 75 75 HIS N N 75 120.200 120.998 -0.798 1
1 868 . 6 1 1 A 76 76 LEU H H 76 8.750 8.152 0.598 1
1 869 . 6 1 1 A 76 76 LEU HA H 76 3.670 3.711 -0.041 1
1 879 . 6 1 1 A 76 76 LEU CA C 76 57.700 57.647 0.053 1
1 880 . 6 1 1 A 76 76 LEU CB C 76 41.400 41.352 0.048 1
1 884 . 6 1 1 A 76 76 LEU N N 76 118.600 119.201 -0.601 1
1 885 . 6 1 1 A 77 77 ILE H H 77 7.980 8.208 -0.228 1
1 886 . 6 1 1 A 77 77 ILE HA H 77 3.470 3.342 0.128 1
1 896 . 6 1 1 A 77 77 ILE CA C 77 66.000 65.741 0.259 1
1 897 . 6 1 1 A 77 77 ILE CB C 77 36.500 37.776 -1.276 1
1 901 . 6 1 1 A 77 77 ILE N N 77 120.900 120.031 0.869 1
1 902 . 6 1 1 A 78 78 ASP H H 78 7.490 8.522 -1.032 1
1 903 . 6 1 1 A 78 78 ASP HA H 78 4.300 4.258 0.042 1
1 906 . 6 1 1 A 78 78 ASP CA C 78 57.900 57.556 0.344 1
1 907 . 6 1 1 A 78 78 ASP CB C 78 39.000 42.244 -3.244 1
1 908 . 6 1 1 A 78 78 ASP N N 78 121.500 120.510 0.990 1
1 909 . 6 1 1 A 79 79 VAL H H 79 8.380 7.710 0.670 1
1 910 . 6 1 1 A 79 79 VAL HA H 79 3.390 3.453 -0.063 1
1 918 . 6 1 1 A 79 79 VAL CA C 79 66.400 66.286 0.114 1
1 919 . 6 1 1 A 79 79 VAL CB C 79 31.700 31.255 0.445 1
1 922 . 6 1 1 A 79 79 VAL N N 79 122.400 119.190 3.210 1
1 923 . 6 1 1 A 80 80 ALA H H 80 8.730 8.432 0.298 1
1 924 . 6 1 1 A 80 80 ALA HA H 80 4.360 3.982 0.378 1
1 928 . 6 1 1 A 80 80 ALA CA C 80 54.800 55.315 -0.515 1
1 929 . 6 1 1 A 80 80 ALA CB C 80 18.100 17.866 0.234 1
1 930 . 6 1 1 A 80 80 ALA N N 80 125.200 122.324 2.876 1
1 931 . 6 1 1 A 81 81 MET H H 81 9.360 8.606 0.754 1
1 932 . 6 1 1 A 81 81 MET HA H 81 4.210 4.047 0.163 1
1 940 . 6 1 1 A 81 81 MET CA C 81 57.800 58.138 -0.338 1
1 941 . 6 1 1 A 81 81 MET CB C 81 31.800 31.887 -0.087 1
1 944 . 6 1 1 A 81 81 MET N N 81 119.600 119.003 0.597 1
1 945 . 6 1 1 A 82 82 SER H H 82 7.780 7.329 0.451 1
1 946 . 6 1 1 A 82 82 SER HA H 82 4.510 4.388 0.122 1
1 949 . 6 1 1 A 82 82 SER CA C 82 59.500 59.502 -0.002 1
1 950 . 6 1 1 A 82 82 SER CB C 82 64.000 63.457 0.543 1
1 951 . 6 1 1 A 82 82 SER N N 82 114.000 112.107 1.893 1
1 952 . 6 1 1 A 83 83 GLY H H 83 7.910 7.866 0.044 1
1 953 . 6 1 1 A 83 83 GLY HA2 H 83 3.700 3.955 -0.255 1
1 954 . 6 1 1 A 83 83 GLY HA3 H 83 4.350 3.959 0.391 1
1 955 . 6 1 1 A 83 83 GLY CA C 83 44.900 45.035 -0.135 1
1 956 . 6 1 1 A 83 83 GLY N N 83 109.400 108.530 0.870 1
1 957 . 6 1 1 A 84 84 GLN H H 84 7.100 7.483 -0.383 1
1 958 . 6 1 1 A 84 84 GLN HA H 84 4.530 4.467 0.063 1
1 965 . 6 1 1 A 84 84 GLN CA C 84 53.100 53.603 -0.503 1
1 966 . 6 1 1 A 84 84 GLN CB C 84 29.000 28.582 0.418 1
1 968 . 6 1 1 A 84 84 GLN N N 84 120.700 120.389 0.311 1
1 970 . 6 1 1 A 85 85 PRO HA H 85 4.360 4.506 -0.146 1
1 977 . 6 1 1 A 85 85 PRO CA C 85 61.800 62.742 -0.942 1
1 978 . 6 1 1 A 85 85 PRO CB C 85 31.800 32.450 -0.650 1
1 981 . 6 1 1 A 86 86 LEU H H 86 8.360 8.361 -0.001 1
1 982 . 6 1 1 A 86 86 LEU HA H 86 4.380 4.585 -0.205 1
1 992 . 6 1 1 A 86 86 LEU CA C 86 51.600 52.730 -1.130 1
1 993 . 6 1 1 A 86 86 LEU CB C 86 41.000 41.172 -0.172 1
1 997 . 6 1 1 A 86 86 LEU N N 86 121.700 123.943 -2.243 1
1 998 . 6 1 1 A 87 87 PRO HA H 87 4.740 4.598 0.142 1
1 1005 . 6 1 1 A 87 87 PRO CA C 87 60.800 61.651 -0.851 1
1 1006 . 6 1 1 A 87 87 PRO CB C 87 30.900 32.231 -1.331 1
1 1009 . 6 1 1 A 88 88 PRO HA H 88 4.330 4.371 -0.041 1
1 1016 . 6 1 1 A 88 88 PRO CA C 88 63.900 64.790 -0.890 1
1 1017 . 6 1 1 A 88 88 PRO CB C 88 31.700 32.257 -0.557 1
1 1020 . 6 1 1 A 89 89 VAL H H 89 6.840 7.228 -0.388 1
1 1021 . 6 1 1 A 89 89 VAL HA H 89 4.030 4.699 -0.669 1
1 1029 . 6 1 1 A 89 89 VAL CA C 89 59.300 59.190 0.110 1
1 1030 . 6 1 1 A 89 89 VAL CB C 89 35.500 34.639 0.861 1
1 1033 . 6 1 1 A 89 89 VAL N N 89 112.700 111.225 1.475 1
1 1034 . 6 1 1 A 90 90 LEU H H 90 8.990 8.923 0.067 1
1 1035 . 6 1 1 A 90 90 LEU HA H 90 4.150 4.954 -0.804 1
1 1045 . 6 1 1 A 90 90 LEU CA C 90 53.500 51.184 2.316 1
1 1046 . 6 1 1 A 90 90 LEU CB C 90 42.200 45.445 -3.245 1
1 1050 . 6 1 1 A 90 90 LEU N N 90 127.800 124.837 2.963 1
1 1051 . 6 1 1 A 91 91 PRO HA H 91 4.830 4.807 0.023 1
1 1058 . 6 1 1 A 91 91 PRO CA C 91 61.100 61.640 -0.540 1
1 1059 . 6 1 1 A 91 91 PRO CB C 91 31.300 32.162 -0.862 1
1 1062 . 6 1 1 A 92 92 PRO HA H 92 4.230 4.356 -0.126 1
1 1069 . 6 1 1 A 92 92 PRO CA C 92 65.100 65.018 0.082 1
1 1070 . 6 1 1 A 92 92 PRO CB C 92 31.800 31.852 -0.052 1
1 1073 . 6 1 1 A 93 93 GLU H H 93 10.180 8.489 1.691 1
1 1074 . 6 1 1 A 93 93 GLU HA H 93 4.300 4.191 0.109 1
1 1079 . 6 1 1 A 93 93 GLU CA C 93 58.700 58.338 0.362 1
1 1080 . 6 1 1 A 93 93 GLU CB C 93 27.500 29.651 -2.151 1
1 1082 . 6 1 1 A 93 93 GLU N N 93 116.400 117.016 -0.616 1
1 1083 . 6 1 1 A 94 94 TYR H H 94 8.510 8.102 0.408 1
1 1084 . 6 1 1 A 94 94 TYR HA H 94 4.510 4.787 -0.277 1
1 1091 . 6 1 1 A 94 94 TYR CA C 94 60.100 59.360 0.740 1
1 1092 . 6 1 1 A 94 94 TYR CB C 94 39.600 39.660 -0.060 1
1 1095 . 6 1 1 A 94 94 TYR N N 94 119.400 116.063 3.337 1
1 1096 . 6 1 1 A 95 95 ILE H H 95 7.800 7.317 0.483 1
1 1097 . 6 1 1 A 95 95 ILE HA H 95 3.940 4.306 -0.366 1
1 1107 . 6 1 1 A 95 95 ILE CA C 95 60.200 59.945 0.255 1
1 1108 . 6 1 1 A 95 95 ILE CB C 95 37.800 38.346 -0.546 1
1 1112 . 6 1 1 A 95 95 ILE N N 95 124.500 121.136 3.364 1
1 1113 . 6 1 1 A 96 96 PRO HA H 96 2.770 3.676 -0.906 1
1 1120 . 6 1 1 A 96 96 PRO CA C 96 60.700 61.473 -0.773 1
1 1121 . 6 1 1 A 96 96 PRO CB C 96 31.400 31.663 -0.263 1
1 1124 . 6 1 1 A 97 97 PRO HA H 97 3.680 3.970 -0.290 1
1 1131 . 6 1 1 A 97 97 PRO CA C 97 65.900 63.491 2.409 1
1 1132 . 6 1 1 A 97 97 PRO CB C 97 32.100 32.007 0.093 1
1 1135 . 6 1 1 A 98 98 SER H H 98 9.160 8.555 0.605 1
1 1136 . 6 1 1 A 98 98 SER HA H 98 3.980 3.924 0.056 1
1 1139 . 6 1 1 A 98 98 SER CA C 98 60.900 60.518 0.382 1
1 1140 . 6 1 1 A 98 98 SER CB C 98 62.200 60.826 1.374 1
1 1141 . 6 1 1 A 98 98 SER N N 98 112.400 112.204 0.196 1
1 1142 . 6 1 1 A 99 99 PHE H H 99 7.950 7.738 0.212 1
1 1143 . 6 1 1 A 99 99 PHE HA H 99 4.470 4.349 0.121 1
1 1151 . 6 1 1 A 99 99 PHE CA C 99 58.500 60.605 -2.105 1
1 1152 . 6 1 1 A 99 99 PHE CB C 99 40.100 39.361 0.739 1
1 1156 . 6 1 1 A 99 99 PHE N N 99 118.800 118.136 0.664 1
1 1157 . 6 1 1 A 100 100 ARG H H 100 7.350 8.212 -0.862 1
1 1158 . 6 1 1 A 100 100 ARG HA H 100 4.270 4.061 0.209 1
1 1165 . 6 1 1 A 100 100 ARG CA C 100 56.600 59.412 -2.812 1
1 1166 . 6 1 1 A 100 100 ARG CB C 100 30.300 30.321 -0.021 1
1 1169 . 6 1 1 A 100 100 ARG N N 100 120.200 119.500 0.700 1
1 1170 . 6 1 1 A 101 101 ARG H H 101 8.180 7.563 0.617 1
1 1171 . 6 1 1 A 101 101 ARG HA H 101 4.270 4.602 -0.332 1
1 1177 . 6 1 1 A 101 101 ARG CA C 101 56.700 54.808 1.892 1
1 1178 . 6 1 1 A 101 101 ARG CB C 101 30.700 30.230 0.470 1
1 1181 . 6 1 1 A 101 101 ARG N N 101 121.100 115.115 5.985 1
1 1182 . 6 1 1 A 102 102 VAL H H 102 8.160 8.340 -0.180 1
1 1183 . 6 1 1 A 102 102 VAL HA H 102 4.080 4.195 -0.115 1
1 1191 . 6 1 1 A 102 102 VAL CA C 102 62.500 62.621 -0.121 1
1 1192 . 6 1 1 A 102 102 VAL CB C 102 32.700 31.977 0.723 1
1 1195 . 6 1 1 A 102 102 VAL N N 102 121.500 122.580 -1.080 1
1 1196 . 6 1 1 A 103 103 ARG H H 103 7.920 7.979 -0.059 1
1 1197 . 6 1 1 A 103 103 ARG HA H 103 4.160 4.007 0.153 1
1 1204 . 6 1 1 A 103 103 ARG CA C 103 57.300 56.909 0.391 1
1 1205 . 6 1 1 A 103 103 ARG CB C 103 31.600 28.796 2.804 1
1 1208 . 6 1 1 A 103 103 ARG N N 103 129.400 121.964 7.436 1
1 1209 . 6 1 1 A 104 104 LEU H H 104 8.190 8.452 -0.262 1
1 1210 . 6 1 1 A 104 104 LEU N N 104 122.800 125.140 -2.340 1
1 1211 . 6 1 1 A 105 105 GLU H H 105 8.220 8.730 -0.510 1
1 8 . 7 1 1 A 2 2 PRO HA H 2 4.430 4.458 -0.028 1
1 15 . 7 1 1 A 2 2 PRO CA C 2 62.800 62.887 -0.087 1
1 16 . 7 1 1 A 2 2 PRO CB C 2 31.900 31.881 0.019 1
1 19 . 7 1 1 A 3 3 VAL H H 3 8.130 8.223 -0.093 1
1 20 . 7 1 1 A 3 3 VAL HA H 3 4.030 4.083 -0.053 1
1 28 . 7 1 1 A 3 3 VAL CA C 3 62.200 61.641 0.559 1
1 29 . 7 1 1 A 3 3 VAL CB C 3 32.700 32.385 0.315 1
1 32 . 7 1 1 A 3 3 VAL N N 3 120.100 117.944 2.156 1
1 33 . 7 1 1 A 4 4 ALA H H 4 8.330 8.373 -0.043 1
1 34 . 7 1 1 A 4 4 ALA HA H 4 4.310 4.482 -0.172 1
1 38 . 7 1 1 A 4 4 ALA CA C 4 52.100 51.906 0.194 1
1 39 . 7 1 1 A 4 4 ALA CB C 4 19.400 18.492 0.908 1
1 40 . 7 1 1 A 4 4 ALA N N 4 127.300 127.826 -0.526 1
1 41 . 7 1 1 A 5 5 GLU H H 5 8.290 8.452 -0.162 1
1 42 . 7 1 1 A 5 5 GLU HA H 5 4.290 4.775 -0.485 1
1 47 . 7 1 1 A 5 5 GLU CA C 5 56.100 55.388 0.712 1
1 48 . 7 1 1 A 5 5 GLU CB C 5 30.500 34.291 -3.791 1
1 50 . 7 1 1 A 5 5 GLU N N 5 121.000 121.691 -0.691 1
1 51 . 7 1 1 A 6 6 TRP H H 6 8.670 8.797 -0.127 1
1 52 . 7 1 1 A 6 6 TRP HA H 6 5.020 5.484 -0.464 1
1 61 . 7 1 1 A 6 6 TRP CA C 6 54.500 55.552 -1.052 1
1 62 . 7 1 1 A 6 6 TRP CB C 6 30.100 32.128 -2.028 1
1 68 . 7 1 1 A 6 6 TRP N N 6 124.900 125.614 -0.714 1
1 70 . 7 1 1 A 7 7 ALA H H 7 7.850 8.894 -1.044 1
1 71 . 7 1 1 A 7 7 ALA HA H 7 3.790 4.174 -0.384 1
1 75 . 7 1 1 A 7 7 ALA CA C 7 53.200 52.117 1.083 1
1 76 . 7 1 1 A 7 7 ALA CB C 7 18.000 17.242 0.758 1
1 77 . 7 1 1 A 7 7 ALA N N 7 128.000 128.780 -0.780 1
1 78 . 7 1 1 A 8 8 VAL H H 8 5.280 7.388 -2.108 1
1 79 . 7 1 1 A 8 8 VAL HA H 8 2.850 4.192 -1.342 1
1 87 . 7 1 1 A 8 8 VAL CA C 8 59.700 57.755 1.945 1
1 88 . 7 1 1 A 8 8 VAL CB C 8 31.600 34.341 -2.741 1
1 91 . 7 1 1 A 8 8 VAL N N 8 117.000 118.777 -1.777 1
1 92 . 7 1 1 A 9 9 PRO HA H 9 4.340 4.428 -0.088 1
1 99 . 7 1 1 A 9 9 PRO CA C 9 62.800 62.778 0.022 1
1 100 . 7 1 1 A 9 9 PRO CB C 9 32.400 32.579 -0.179 1
1 103 . 7 1 1 A 10 10 GLN HA H 10 3.710 3.941 -0.231 1
1 110 . 7 1 1 A 10 10 GLN CA C 10 60.100 58.980 1.120 1
1 111 . 7 1 1 A 10 10 GLN CB C 10 28.000 28.231 -0.231 1
1 114 . 7 1 1 A 11 11 SER HA H 11 4.070 4.106 -0.036 1
1 117 . 7 1 1 A 11 11 SER CA C 11 61.400 62.069 -0.669 1
1 118 . 7 1 1 A 11 11 SER CB C 11 61.400 62.813 -1.413 1
1 119 . 7 1 1 A 12 12 SER H H 12 7.070 7.969 -0.899 1
1 120 . 7 1 1 A 12 12 SER HA H 12 3.990 3.894 0.096 1
1 123 . 7 1 1 A 12 12 SER CA C 12 61.500 61.186 0.314 1
1 124 . 7 1 1 A 12 12 SER CB C 12 61.500 62.698 -1.198 1
1 125 . 7 1 1 A 12 12 SER N N 12 119.300 117.372 1.928 1
1 126 . 7 1 1 A 13 13 ARG H H 13 8.000 8.337 -0.337 1
1 127 . 7 1 1 A 13 13 ARG HA H 13 3.930 4.027 -0.097 1
1 134 . 7 1 1 A 13 13 ARG CA C 13 59.800 58.786 1.014 1
1 135 . 7 1 1 A 13 13 ARG CB C 13 30.300 29.679 0.621 1
1 138 . 7 1 1 A 13 13 ARG N N 13 121.600 119.918 1.682 1
1 139 . 7 1 1 A 14 14 LEU H H 14 7.710 7.946 -0.236 1
1 140 . 7 1 1 A 14 14 LEU HA H 14 4.120 4.084 0.036 1
1 150 . 7 1 1 A 14 14 LEU CA C 14 57.900 57.629 0.271 1
1 151 . 7 1 1 A 14 14 LEU CB C 14 41.900 41.244 0.656 1
1 155 . 7 1 1 A 14 14 LEU N N 14 117.100 120.992 -3.892 1
1 156 . 7 1 1 A 15 15 LYS H H 15 7.450 8.114 -0.664 1
1 157 . 7 1 1 A 15 15 LYS HA H 15 4.050 3.881 0.169 1
1 166 . 7 1 1 A 15 15 LYS CA C 15 59.100 59.025 0.075 1
1 167 . 7 1 1 A 15 15 LYS CB C 15 33.000 32.161 0.839 1
1 171 . 7 1 1 A 15 15 LYS N N 15 118.800 120.402 -1.602 1
1 172 . 7 1 1 A 16 16 TYR H H 16 8.640 7.570 1.070 1
1 173 . 7 1 1 A 16 16 TYR HA H 16 5.130 4.560 0.570 1
1 180 . 7 1 1 A 16 16 TYR CA C 16 58.900 61.041 -2.141 1
1 181 . 7 1 1 A 16 16 TYR CB C 16 37.100 38.059 -0.959 1
1 184 . 7 1 1 A 16 16 TYR N N 16 117.800 118.104 -0.304 1
1 185 . 7 1 1 A 17 17 ARG H H 17 8.470 8.395 0.075 1
1 186 . 7 1 1 A 17 17 ARG HA H 17 4.230 4.099 0.131 1
1 193 . 7 1 1 A 17 17 ARG CA C 17 59.700 59.230 0.470 1
1 194 . 7 1 1 A 17 17 ARG CB C 17 29.800 29.625 0.175 1
1 197 . 7 1 1 A 17 17 ARG N N 17 124.000 121.989 2.011 1
1 198 . 7 1 1 A 18 18 GLN H H 18 7.740 7.932 -0.192 1
1 199 . 7 1 1 A 18 18 GLN HA H 18 4.190 4.290 -0.100 1
1 206 . 7 1 1 A 18 18 GLN CA C 18 59.300 57.516 1.784 1
1 207 . 7 1 1 A 18 18 GLN CB C 18 27.900 28.905 -1.005 1
1 209 . 7 1 1 A 18 18 GLN N N 18 118.000 116.660 1.340 1
1 211 . 7 1 1 A 19 19 LEU H H 19 7.770 7.806 -0.036 1
1 212 . 7 1 1 A 19 19 LEU HA H 19 4.400 4.622 -0.222 1
1 222 . 7 1 1 A 19 19 LEU CA C 19 58.000 53.716 4.284 1
1 223 . 7 1 1 A 19 19 LEU CB C 19 42.800 43.267 -0.467 1
1 227 . 7 1 1 A 19 19 LEU N N 19 120.500 121.907 -1.407 1
1 228 . 7 1 1 A 20 20 PHE H H 20 8.710 7.572 1.138 1
1 229 . 7 1 1 A 20 20 PHE HA H 20 3.330 3.567 -0.237 1
1 237 . 7 1 1 A 20 20 PHE CA C 20 62.400 62.085 0.315 1
1 238 . 7 1 1 A 20 20 PHE CB C 20 38.500 39.122 -0.622 1
1 242 . 7 1 1 A 20 20 PHE N N 20 121.900 121.551 0.349 1
1 243 . 7 1 1 A 21 21 ASN H H 21 8.770 9.188 -0.418 1
1 244 . 7 1 1 A 21 21 ASN HA H 21 4.380 4.342 0.038 1
1 249 . 7 1 1 A 21 21 ASN CA C 21 55.400 56.436 -1.036 1
1 250 . 7 1 1 A 21 21 ASN CB C 21 37.600 39.635 -2.035 1
1 251 . 7 1 1 A 21 21 ASN N N 21 117.300 117.490 -0.190 1
1 253 . 7 1 1 A 22 22 SER H H 22 7.900 8.724 -0.824 1
1 254 . 7 1 1 A 22 22 SER HA H 22 4.180 4.169 0.011 1
1 257 . 7 1 1 A 22 22 SER CA C 22 60.700 60.537 0.163 1
1 258 . 7 1 1 A 22 22 SER CB C 22 62.900 63.284 -0.384 1
1 259 . 7 1 1 A 22 22 SER N N 22 114.800 113.952 0.848 1
1 260 . 7 1 1 A 23 23 HIS H H 23 7.310 8.143 -0.833 1
1 261 . 7 1 1 A 23 23 HIS HA H 23 4.480 4.403 0.077 1
1 266 . 7 1 1 A 23 23 HIS CA C 23 58.000 57.439 0.561 1
1 267 . 7 1 1 A 23 23 HIS CB C 23 32.400 30.477 1.923 1
1 270 . 7 1 1 A 23 23 HIS N N 23 118.900 116.791 2.109 1
1 271 . 7 1 1 A 24 24 ASP H H 24 7.870 7.163 0.707 1
1 272 . 7 1 1 A 24 24 ASP HA H 24 4.850 4.345 0.505 1
1 275 . 7 1 1 A 24 24 ASP CA C 24 52.100 54.252 -2.152 1
1 276 . 7 1 1 A 24 24 ASP CB C 24 38.500 41.489 -2.989 1
1 277 . 7 1 1 A 24 24 ASP N N 24 122.400 120.241 2.159 1
1 278 . 7 1 1 A 25 25 LYS H H 25 7.900 8.755 -0.855 1
1 279 . 7 1 1 A 25 25 LYS HA H 25 4.070 4.493 -0.423 1
1 288 . 7 1 1 A 25 25 LYS CA C 25 58.600 55.571 3.029 1
1 289 . 7 1 1 A 25 25 LYS CB C 25 32.600 32.562 0.038 1
1 293 . 7 1 1 A 25 25 LYS N N 25 122.400 123.821 -1.421 1
1 294 . 7 1 1 A 26 26 THR H H 26 8.120 8.413 -0.293 1
1 295 . 7 1 1 A 26 26 THR HA H 26 4.340 4.544 -0.204 1
1 300 . 7 1 1 A 26 26 THR CA C 26 61.000 62.394 -1.394 1
1 301 . 7 1 1 A 26 26 THR CB C 26 69.100 69.643 -0.543 1
1 303 . 7 1 1 A 26 26 THR N N 26 106.400 111.495 -5.095 1
1 304 . 7 1 1 A 27 27 MET H H 27 8.030 7.816 0.214 1
1 305 . 7 1 1 A 27 27 MET HA H 27 3.980 4.774 -0.794 1
1 310 . 7 1 1 A 27 27 MET CA C 27 56.600 56.733 -0.133 1
1 311 . 7 1 1 A 27 27 MET CB C 27 29.100 35.368 -6.268 1
1 313 . 7 1 1 A 27 27 MET N N 27 119.600 119.263 0.337 1
1 314 . 7 1 1 A 28 28 SER H H 28 9.520 7.994 1.526 1
1 315 . 7 1 1 A 28 28 SER HA H 28 4.250 5.141 -0.891 1
1 318 . 7 1 1 A 28 28 SER CA C 28 60.500 57.699 2.801 1
1 319 . 7 1 1 A 28 28 SER CB C 28 64.400 63.684 0.716 1
1 320 . 7 1 1 A 28 28 SER N N 28 118.600 114.516 4.084 1
1 321 . 7 1 1 A 29 29 GLY H H 29 10.710 8.540 2.170 1
1 322 . 7 1 1 A 29 29 GLY HA2 H 29 4.380 3.848 0.532 1
1 323 . 7 1 1 A 29 29 GLY HA3 H 29 3.690 3.914 -0.224 1
1 324 . 7 1 1 A 29 29 GLY CA C 29 45.200 45.209 -0.009 1
1 325 . 7 1 1 A 29 29 GLY N N 29 113.800 112.351 1.449 1
1 326 . 7 1 1 A 30 30 HIS H H 30 7.870 8.464 -0.594 1
1 327 . 7 1 1 A 30 30 HIS HA H 30 5.520 4.943 0.577 1
1 332 . 7 1 1 A 30 30 HIS CA C 30 55.800 56.213 -0.413 1
1 333 . 7 1 1 A 30 30 HIS CB C 30 32.800 28.308 4.492 1
1 336 . 7 1 1 A 30 30 HIS N N 30 115.700 116.401 -0.701 1
1 337 . 7 1 1 A 31 31 LEU H H 31 9.140 9.451 -0.311 1
1 338 . 7 1 1 A 31 31 LEU HA H 31 4.840 5.002 -0.162 1
1 348 . 7 1 1 A 31 31 LEU CA C 31 52.900 53.612 -0.712 1
1 349 . 7 1 1 A 31 31 LEU CB C 31 44.200 44.113 0.087 1
1 353 . 7 1 1 A 31 31 LEU N N 31 117.200 121.661 -4.461 1
1 354 . 7 1 1 A 32 32 THR H H 32 8.680 8.850 -0.170 1
1 355 . 7 1 1 A 32 32 THR HA H 32 4.340 4.901 -0.561 1
1 360 . 7 1 1 A 32 32 THR CA C 32 61.500 60.660 0.840 1
1 361 . 7 1 1 A 32 32 THR CB C 32 70.200 71.505 -1.305 1
1 363 . 7 1 1 A 32 32 THR N N 32 113.400 115.488 -2.088 1
1 364 . 7 1 1 A 33 33 GLY H H 33 9.090 8.665 0.425 1
1 365 . 7 1 1 A 33 33 GLY HA2 H 33 3.970 3.819 0.151 1
1 366 . 7 1 1 A 33 33 GLY HA3 H 33 4.070 4.043 0.027 1
1 367 . 7 1 1 A 33 33 GLY CA C 33 49.300 48.260 1.040 1
1 368 . 7 1 1 A 33 33 GLY N N 33 108.000 109.497 -1.497 1
1 369 . 7 1 1 A 34 34 PRO HA H 34 4.110 4.160 -0.050 1
1 376 . 7 1 1 A 34 34 PRO CA C 34 65.400 65.624 -0.224 1
1 377 . 7 1 1 A 34 34 PRO CB C 34 32.200 30.791 1.409 1
1 380 . 7 1 1 A 35 35 GLN H H 35 7.240 8.239 -0.999 1
1 381 . 7 1 1 A 35 35 GLN HA H 35 4.040 4.092 -0.052 1
1 388 . 7 1 1 A 35 35 GLN CA C 35 58.200 59.332 -1.132 1
1 389 . 7 1 1 A 35 35 GLN CB C 35 29.800 28.382 1.418 1
1 391 . 7 1 1 A 35 35 GLN N N 35 116.700 117.436 -0.736 1
1 393 . 7 1 1 A 36 36 ALA H H 36 9.180 8.682 0.498 1
1 394 . 7 1 1 A 36 36 ALA HA H 36 4.080 4.387 -0.307 1
1 398 . 7 1 1 A 36 36 ALA CA C 36 54.900 55.375 -0.475 1
1 399 . 7 1 1 A 36 36 ALA CB C 36 18.900 18.584 0.316 1
1 400 . 7 1 1 A 36 36 ALA N N 36 120.000 122.277 -2.277 1
1 401 . 7 1 1 A 37 37 ARG H H 37 9.060 7.930 1.130 1
1 402 . 7 1 1 A 37 37 ARG HA H 37 3.860 4.135 -0.275 1
1 409 . 7 1 1 A 37 37 ARG CA C 37 61.000 59.033 1.967 1
1 410 . 7 1 1 A 37 37 ARG CB C 37 29.900 29.828 0.072 1
1 413 . 7 1 1 A 37 37 ARG N N 37 117.200 119.424 -2.224 1
1 414 . 7 1 1 A 38 38 THR H H 38 7.620 8.079 -0.459 1
1 415 . 7 1 1 A 38 38 THR HA H 38 3.920 3.970 -0.050 1
1 420 . 7 1 1 A 38 38 THR CA C 38 66.900 67.030 -0.130 1
1 421 . 7 1 1 A 38 38 THR CB C 38 68.800 67.902 0.898 1
1 423 . 7 1 1 A 38 38 THR N N 38 114.600 117.326 -2.726 1
1 424 . 7 1 1 A 39 39 ILE H H 39 7.180 7.644 -0.464 1
1 425 . 7 1 1 A 39 39 ILE HA H 39 3.730 3.605 0.125 1
1 435 . 7 1 1 A 39 39 ILE CA C 39 64.900 64.706 0.194 1
1 436 . 7 1 1 A 39 39 ILE CB C 39 39.000 37.422 1.578 1
1 440 . 7 1 1 A 39 39 ILE N N 39 121.500 121.372 0.128 1
1 441 . 7 1 1 A 40 40 LEU H H 40 8.480 7.966 0.514 1
1 442 . 7 1 1 A 40 40 LEU HA H 40 3.870 3.856 0.014 1
1 452 . 7 1 1 A 40 40 LEU CA C 40 58.500 57.875 0.625 1
1 453 . 7 1 1 A 40 40 LEU CB C 40 40.800 41.471 -0.671 1
1 457 . 7 1 1 A 40 40 LEU N N 40 119.900 119.716 0.184 1
1 458 . 7 1 1 A 41 41 MET H H 41 8.160 8.807 -0.647 1
1 459 . 7 1 1 A 41 41 MET HA H 41 4.200 4.187 0.013 1
1 464 . 7 1 1 A 41 41 MET CA C 41 57.700 58.184 -0.484 1
1 465 . 7 1 1 A 41 41 MET CB C 41 32.500 32.134 0.366 1
1 467 . 7 1 1 A 41 41 MET N N 41 115.300 118.508 -3.208 1
1 468 . 7 1 1 A 42 42 GLN H H 42 7.600 7.557 0.043 1
1 469 . 7 1 1 A 42 42 GLN HA H 42 4.230 4.227 0.003 1
1 476 . 7 1 1 A 42 42 GLN CA C 42 57.200 57.901 -0.701 1
1 477 . 7 1 1 A 42 42 GLN CB C 42 27.900 28.087 -0.187 1
1 479 . 7 1 1 A 42 42 GLN N N 42 118.900 118.577 0.323 1
1 481 . 7 1 1 A 43 43 SER H H 43 7.670 7.895 -0.225 1
1 482 . 7 1 1 A 43 43 SER HA H 43 4.300 4.371 -0.071 1
1 485 . 7 1 1 A 43 43 SER CA C 43 59.800 60.939 -1.139 1
1 486 . 7 1 1 A 43 43 SER CB C 43 65.200 63.449 1.751 1
1 487 . 7 1 1 A 43 43 SER N N 43 113.900 116.478 -2.578 1
1 488 . 7 1 1 A 44 44 SER H H 44 8.040 8.110 -0.070 1
1 489 . 7 1 1 A 44 44 SER HA H 44 4.300 4.663 -0.363 1
1 492 . 7 1 1 A 44 44 SER CA C 44 59.400 58.765 0.635 1
1 493 . 7 1 1 A 44 44 SER CB C 44 62.500 65.799 -3.299 1
1 494 . 7 1 1 A 44 44 SER N N 44 113.500 110.960 2.540 1
1 495 . 7 1 1 A 45 45 LEU H H 45 7.430 7.490 -0.060 1
1 496 . 7 1 1 A 45 45 LEU HA H 45 4.470 4.373 0.097 1
1 506 . 7 1 1 A 45 45 LEU CA C 45 53.300 53.834 -0.534 1
1 507 . 7 1 1 A 45 45 LEU CB C 45 41.700 41.326 0.374 1
1 511 . 7 1 1 A 45 45 LEU N N 45 121.900 122.010 -0.110 1
1 512 . 7 1 1 A 46 46 PRO HA H 46 4.460 4.491 -0.031 1
1 519 . 7 1 1 A 46 46 PRO CA C 46 62.500 62.586 -0.086 1
1 520 . 7 1 1 A 46 46 PRO CB C 46 32.500 32.594 -0.094 1
1 523 . 7 1 1 A 47 47 GLN H H 47 8.820 8.589 0.231 1
1 524 . 7 1 1 A 47 47 GLN HA H 47 3.870 3.987 -0.117 1
1 531 . 7 1 1 A 47 47 GLN CA C 47 59.600 58.493 1.107 1
1 532 . 7 1 1 A 47 47 GLN CB C 47 28.100 27.892 0.208 1
1 534 . 7 1 1 A 47 47 GLN N N 47 123.400 121.957 1.443 1
1 536 . 7 1 1 A 48 48 ALA H H 48 9.000 8.217 0.783 1
1 537 . 7 1 1 A 48 48 ALA HA H 48 4.150 4.021 0.129 1
1 541 . 7 1 1 A 48 48 ALA CA C 48 55.200 55.439 -0.239 1
1 542 . 7 1 1 A 48 48 ALA CB C 48 18.200 18.283 -0.083 1
1 543 . 7 1 1 A 48 48 ALA N N 48 119.800 122.338 -2.538 1
1 544 . 7 1 1 A 49 49 GLN H H 49 7.190 8.294 -1.104 1
1 545 . 7 1 1 A 49 49 GLN HA H 49 4.230 4.009 0.221 1
1 552 . 7 1 1 A 49 49 GLN CA C 49 58.600 58.793 -0.193 1
1 553 . 7 1 1 A 49 49 GLN CB C 49 29.400 28.437 0.963 1
1 555 . 7 1 1 A 49 49 GLN N N 49 115.800 117.087 -1.287 1
1 557 . 7 1 1 A 50 50 LEU H H 50 7.800 8.262 -0.462 1
1 558 . 7 1 1 A 50 50 LEU HA H 50 3.930 3.977 -0.047 1
1 568 . 7 1 1 A 50 50 LEU CA C 50 57.900 57.944 -0.044 1
1 569 . 7 1 1 A 50 50 LEU CB C 50 41.100 41.653 -0.553 1
1 573 . 7 1 1 A 50 50 LEU N N 50 119.800 120.750 -0.950 1
1 574 . 7 1 1 A 51 51 ALA H H 51 8.410 8.518 -0.108 1
1 575 . 7 1 1 A 51 51 ALA HA H 51 4.210 4.099 0.111 1
1 579 . 7 1 1 A 51 51 ALA CA C 51 55.100 55.338 -0.238 1
1 580 . 7 1 1 A 51 51 ALA CB C 51 17.500 17.678 -0.178 1
1 581 . 7 1 1 A 51 51 ALA N N 51 122.600 122.289 0.311 1
1 582 . 7 1 1 A 52 52 SER H H 52 7.530 8.166 -0.636 1
1 583 . 7 1 1 A 52 52 SER HA H 52 4.310 4.113 0.197 1
1 586 . 7 1 1 A 52 52 SER CA C 52 62.200 62.320 -0.120 1
1 587 . 7 1 1 A 52 52 SER CB C 52 62.600 63.186 -0.586 1
1 588 . 7 1 1 A 52 52 SER N N 52 115.300 113.608 1.692 1
1 589 . 7 1 1 A 53 53 ILE H H 53 8.270 8.509 -0.239 1
1 590 . 7 1 1 A 53 53 ILE HA H 53 3.430 3.654 -0.224 1
1 600 . 7 1 1 A 53 53 ILE CA C 53 66.300 65.069 1.231 1
1 601 . 7 1 1 A 53 53 ILE CB C 53 37.900 37.666 0.234 1
1 605 . 7 1 1 A 53 53 ILE N N 53 122.000 120.549 1.451 1
1 606 . 7 1 1 A 54 54 TRP H H 54 8.480 8.368 0.112 1
1 607 . 7 1 1 A 54 54 TRP HA H 54 3.720 4.110 -0.390 1
1 616 . 7 1 1 A 54 54 TRP CA C 54 61.400 60.419 0.981 1
1 617 . 7 1 1 A 54 54 TRP CB C 54 28.100 29.576 -1.476 1
1 623 . 7 1 1 A 54 54 TRP N N 54 122.100 121.909 0.191 1
1 625 . 7 1 1 A 55 55 ASN H H 55 7.860 8.575 -0.715 1
1 626 . 7 1 1 A 55 55 ASN HA H 55 4.350 4.505 -0.155 1
1 631 . 7 1 1 A 55 55 ASN CA C 55 55.900 56.609 -0.709 1
1 632 . 7 1 1 A 55 55 ASN CB C 55 38.500 40.312 -1.812 1
1 633 . 7 1 1 A 55 55 ASN N N 55 113.900 117.881 -3.981 1
1 635 . 7 1 1 A 56 56 LEU H H 56 8.020 8.060 -0.040 1
1 636 . 7 1 1 A 56 56 LEU HA H 56 3.990 4.051 -0.061 1
1 646 . 7 1 1 A 56 56 LEU CA C 56 56.700 57.548 -0.848 1
1 647 . 7 1 1 A 56 56 LEU CB C 56 43.900 41.594 2.306 1
1 651 . 7 1 1 A 56 56 LEU N N 56 117.500 119.468 -1.968 1
1 652 . 7 1 1 A 57 57 SER H H 57 7.280 7.602 -0.322 1
1 653 . 7 1 1 A 57 57 SER HA H 57 4.290 4.142 0.148 1
1 656 . 7 1 1 A 57 57 SER CA C 57 61.100 61.037 0.063 1
1 657 . 7 1 1 A 57 57 SER CB C 57 64.000 62.697 1.303 1
1 658 . 7 1 1 A 57 57 SER N N 57 111.100 112.882 -1.782 1
1 659 . 7 1 1 A 58 58 ASP H H 58 7.030 7.598 -0.568 1
1 660 . 7 1 1 A 58 58 ASP HA H 58 4.650 4.356 0.294 1
1 663 . 7 1 1 A 58 58 ASP CA C 58 51.400 53.615 -2.215 1
1 664 . 7 1 1 A 58 58 ASP CB C 58 37.200 40.587 -3.387 1
1 665 . 7 1 1 A 58 58 ASP N N 58 115.600 119.930 -4.330 1
1 666 . 7 1 1 A 59 59 ILE H H 59 8.630 8.366 0.264 1
1 667 . 7 1 1 A 59 59 ILE HA H 59 3.260 3.943 -0.683 1
1 677 . 7 1 1 A 59 59 ILE CA C 59 62.900 63.688 -0.788 1
1 678 . 7 1 1 A 59 59 ILE CB C 59 36.600 37.679 -1.079 1
1 682 . 7 1 1 A 59 59 ILE N N 59 128.500 125.415 3.085 1
1 683 . 7 1 1 A 60 60 ASP H H 60 7.960 7.674 0.286 1
1 684 . 7 1 1 A 60 60 ASP HA H 60 4.480 4.806 -0.326 1
1 687 . 7 1 1 A 60 60 ASP CA C 60 52.300 52.726 -0.426 1
1 688 . 7 1 1 A 60 60 ASP CB C 60 39.100 40.514 -1.414 1
1 689 . 7 1 1 A 60 60 ASP N N 60 113.200 119.932 -6.732 1
1 690 . 7 1 1 A 61 61 GLN H H 61 7.550 8.037 -0.487 1
1 691 . 7 1 1 A 61 61 GLN HA H 61 3.800 4.037 -0.237 1
1 698 . 7 1 1 A 61 61 GLN CA C 61 57.100 56.702 0.398 1
1 699 . 7 1 1 A 61 61 GLN CB C 61 26.400 26.429 -0.029 1
1 701 . 7 1 1 A 61 61 GLN N N 61 113.800 118.677 -4.877 1
1 703 . 7 1 1 A 62 62 ASP H H 62 8.390 8.036 0.354 1
1 704 . 7 1 1 A 62 62 ASP HA H 62 4.720 4.717 0.003 1
1 707 . 7 1 1 A 62 62 ASP CA C 62 52.800 54.727 -1.927 1
1 708 . 7 1 1 A 62 62 ASP CB C 62 41.000 42.117 -1.117 1
1 709 . 7 1 1 A 62 62 ASP N N 62 117.700 120.674 -2.974 1
1 710 . 7 1 1 A 63 63 GLY H H 63 10.840 9.016 1.824 1
1 711 . 7 1 1 A 63 63 GLY HA2 H 63 4.310 4.193 0.117 1
1 712 . 7 1 1 A 63 63 GLY HA3 H 63 3.880 4.489 -0.609 1
1 713 . 7 1 1 A 63 63 GLY CA C 63 46.200 45.707 0.493 1
1 714 . 7 1 1 A 63 63 GLY N N 63 114.200 107.018 7.182 1
1 715 . 7 1 1 A 64 64 LYS H H 64 8.070 7.513 0.557 1
1 716 . 7 1 1 A 64 64 LYS HA H 64 5.030 5.261 -0.231 1
1 725 . 7 1 1 A 64 64 LYS CA C 64 54.200 54.310 -0.110 1
1 726 . 7 1 1 A 64 64 LYS CB C 64 36.100 35.919 0.181 1
1 730 . 7 1 1 A 64 64 LYS N N 64 117.400 119.615 -2.215 1
1 731 . 7 1 1 A 65 65 LEU H H 65 8.990 9.706 -0.716 1
1 732 . 7 1 1 A 65 65 LEU HA H 65 5.750 4.858 0.892 1
1 742 . 7 1 1 A 65 65 LEU CA C 65 52.900 53.748 -0.848 1
1 743 . 7 1 1 A 65 65 LEU CB C 65 43.600 44.010 -0.410 1
1 747 . 7 1 1 A 65 65 LEU N N 65 120.700 123.804 -3.104 1
1 748 . 7 1 1 A 66 66 THR H H 66 10.210 9.252 0.958 1
1 749 . 7 1 1 A 66 66 THR HA H 66 4.910 4.701 0.209 1
1 754 . 7 1 1 A 66 66 THR CA C 66 60.900 60.807 0.093 1
1 755 . 7 1 1 A 66 66 THR CB C 66 71.200 71.294 -0.094 1
1 757 . 7 1 1 A 66 66 THR N N 66 116.300 118.307 -2.007 1
1 758 . 7 1 1 A 67 67 ALA H H 67 8.350 8.511 -0.161 1
1 759 . 7 1 1 A 67 67 ALA HA H 67 2.620 3.154 -0.534 1
1 763 . 7 1 1 A 67 67 ALA CA C 67 56.200 55.060 1.140 1
1 764 . 7 1 1 A 67 67 ALA CB C 67 18.000 17.742 0.258 1
1 765 . 7 1 1 A 67 67 ALA N N 67 122.000 123.149 -1.149 1
1 766 . 7 1 1 A 68 68 GLU H H 68 8.160 7.995 0.165 1
1 767 . 7 1 1 A 68 68 GLU HA H 68 4.180 4.153 0.027 1
1 772 . 7 1 1 A 68 68 GLU CA C 68 60.500 59.458 1.042 1
1 773 . 7 1 1 A 68 68 GLU CB C 68 30.500 29.120 1.380 1
1 775 . 7 1 1 A 68 68 GLU N N 68 112.200 117.753 -5.553 1
1 776 . 7 1 1 A 69 69 GLU H H 69 7.280 7.683 -0.403 1
1 777 . 7 1 1 A 69 69 GLU HA H 69 4.030 3.865 0.165 1
1 782 . 7 1 1 A 69 69 GLU CA C 69 60.100 58.717 1.383 1
1 783 . 7 1 1 A 69 69 GLU CB C 69 31.800 29.257 2.543 1
1 785 . 7 1 1 A 69 69 GLU N N 69 117.400 120.119 -2.719 1
1 786 . 7 1 1 A 70 70 PHE H H 70 8.940 8.462 0.478 1
1 787 . 7 1 1 A 70 70 PHE HA H 70 4.130 4.050 0.080 1
1 795 . 7 1 1 A 70 70 PHE CA C 70 61.900 61.069 0.831 1
1 796 . 7 1 1 A 70 70 PHE CB C 70 39.900 39.638 0.262 1
1 800 . 7 1 1 A 70 70 PHE N N 70 119.000 121.699 -2.699 1
1 801 . 7 1 1 A 71 71 ILE H H 71 8.890 8.343 0.547 1
1 802 . 7 1 1 A 71 71 ILE HA H 71 3.380 3.847 -0.467 1
1 812 . 7 1 1 A 71 71 ILE CA C 71 65.800 65.627 0.173 1
1 813 . 7 1 1 A 71 71 ILE CB C 71 39.100 38.151 0.949 1
1 817 . 7 1 1 A 71 71 ILE N N 71 119.800 120.054 -0.254 1
1 818 . 7 1 1 A 72 72 LEU H H 72 7.810 7.983 -0.173 1
1 819 . 7 1 1 A 72 72 LEU HA H 72 4.040 4.045 -0.005 1
1 829 . 7 1 1 A 72 72 LEU CA C 72 58.300 57.941 0.359 1
1 830 . 7 1 1 A 72 72 LEU CB C 72 42.600 41.533 1.067 1
1 834 . 7 1 1 A 72 72 LEU N N 72 118.100 121.147 -3.047 1
1 835 . 7 1 1 A 73 73 ALA H H 73 8.340 7.929 0.411 1
1 836 . 7 1 1 A 73 73 ALA HA H 73 3.820 3.940 -0.120 1
1 840 . 7 1 1 A 73 73 ALA CA C 73 55.600 55.279 0.321 1
1 841 . 7 1 1 A 73 73 ALA CB C 73 17.600 18.223 -0.623 1
1 842 . 7 1 1 A 73 73 ALA N N 73 122.000 121.015 0.985 1
1 843 . 7 1 1 A 74 74 MET H H 74 7.840 7.987 -0.147 1
1 844 . 7 1 1 A 74 74 MET HA H 74 3.830 3.945 -0.115 1
1 852 . 7 1 1 A 74 74 MET CA C 74 55.400 57.695 -2.295 1
1 853 . 7 1 1 A 74 74 MET CB C 74 27.800 31.297 -3.497 1
1 856 . 7 1 1 A 74 74 MET N N 74 113.400 116.813 -3.413 1
1 857 . 7 1 1 A 75 75 HIS H H 75 8.340 7.236 1.104 1
1 858 . 7 1 1 A 75 75 HIS HA H 75 4.510 3.969 0.541 1
1 863 . 7 1 1 A 75 75 HIS CA C 75 60.000 58.887 1.113 1
1 864 . 7 1 1 A 75 75 HIS CB C 75 31.400 29.761 1.639 1
1 867 . 7 1 1 A 75 75 HIS N N 75 120.200 120.855 -0.655 1
1 868 . 7 1 1 A 76 76 LEU H H 76 8.750 7.990 0.760 1
1 869 . 7 1 1 A 76 76 LEU HA H 76 3.670 3.635 0.035 1
1 879 . 7 1 1 A 76 76 LEU CA C 76 57.700 57.493 0.207 1
1 880 . 7 1 1 A 76 76 LEU CB C 76 41.400 41.282 0.118 1
1 884 . 7 1 1 A 76 76 LEU N N 76 118.600 118.945 -0.345 1
1 885 . 7 1 1 A 77 77 ILE H H 77 7.980 7.999 -0.019 1
1 886 . 7 1 1 A 77 77 ILE HA H 77 3.470 3.381 0.089 1
1 896 . 7 1 1 A 77 77 ILE CA C 77 66.000 64.844 1.156 1
1 897 . 7 1 1 A 77 77 ILE CB C 77 36.500 37.458 -0.958 1
1 901 . 7 1 1 A 77 77 ILE N N 77 120.900 120.126 0.774 1
1 902 . 7 1 1 A 78 78 ASP H H 78 7.490 8.130 -0.640 1
1 903 . 7 1 1 A 78 78 ASP HA H 78 4.300 4.224 0.076 1
1 906 . 7 1 1 A 78 78 ASP CA C 78 57.900 57.600 0.300 1
1 907 . 7 1 1 A 78 78 ASP CB C 78 39.000 42.006 -3.006 1
1 908 . 7 1 1 A 78 78 ASP N N 78 121.500 120.388 1.112 1
1 909 . 7 1 1 A 79 79 VAL H H 79 8.380 7.941 0.439 1
1 910 . 7 1 1 A 79 79 VAL HA H 79 3.390 3.481 -0.091 1
1 918 . 7 1 1 A 79 79 VAL CA C 79 66.400 66.422 -0.022 1
1 919 . 7 1 1 A 79 79 VAL CB C 79 31.700 31.503 0.197 1
1 922 . 7 1 1 A 79 79 VAL N N 79 122.400 119.296 3.104 1
1 923 . 7 1 1 A 80 80 ALA H H 80 8.730 8.203 0.527 1
1 924 . 7 1 1 A 80 80 ALA HA H 80 4.360 3.953 0.407 1
1 928 . 7 1 1 A 80 80 ALA CA C 80 54.800 55.060 -0.260 1
1 929 . 7 1 1 A 80 80 ALA CB C 80 18.100 18.038 0.062 1
1 930 . 7 1 1 A 80 80 ALA N N 80 125.200 122.075 3.125 1
1 931 . 7 1 1 A 81 81 MET H H 81 9.360 8.402 0.958 1
1 932 . 7 1 1 A 81 81 MET HA H 81 4.210 4.125 0.085 1
1 940 . 7 1 1 A 81 81 MET CA C 81 57.800 58.353 -0.553 1
1 941 . 7 1 1 A 81 81 MET CB C 81 31.800 32.085 -0.285 1
1 944 . 7 1 1 A 81 81 MET N N 81 119.600 116.857 2.743 1
1 945 . 7 1 1 A 82 82 SER H H 82 7.780 7.406 0.374 1
1 946 . 7 1 1 A 82 82 SER HA H 82 4.510 4.525 -0.015 1
1 949 . 7 1 1 A 82 82 SER CA C 82 59.500 58.276 1.224 1
1 950 . 7 1 1 A 82 82 SER CB C 82 64.000 63.647 0.353 1
1 951 . 7 1 1 A 82 82 SER N N 82 114.000 112.184 1.816 1
1 952 . 7 1 1 A 83 83 GLY H H 83 7.910 8.044 -0.134 1
1 953 . 7 1 1 A 83 83 GLY HA2 H 83 3.700 3.884 -0.184 1
1 954 . 7 1 1 A 83 83 GLY HA3 H 83 4.350 3.888 0.462 1
1 955 . 7 1 1 A 83 83 GLY CA C 83 44.900 45.587 -0.687 1
1 956 . 7 1 1 A 83 83 GLY N N 83 109.400 110.232 -0.832 1
1 957 . 7 1 1 A 84 84 GLN H H 84 7.100 7.547 -0.447 1
1 958 . 7 1 1 A 84 84 GLN HA H 84 4.530 4.635 -0.105 1
1 965 . 7 1 1 A 84 84 GLN CA C 84 53.100 52.770 0.330 1
1 966 . 7 1 1 A 84 84 GLN CB C 84 29.000 29.217 -0.217 1
1 968 . 7 1 1 A 84 84 GLN N N 84 120.700 120.552 0.148 1
1 970 . 7 1 1 A 85 85 PRO HA H 85 4.360 4.561 -0.201 1
1 977 . 7 1 1 A 85 85 PRO CA C 85 61.800 62.593 -0.793 1
1 978 . 7 1 1 A 85 85 PRO CB C 85 31.800 32.560 -0.760 1
1 981 . 7 1 1 A 86 86 LEU H H 86 8.360 8.319 0.041 1
1 982 . 7 1 1 A 86 86 LEU HA H 86 4.380 4.507 -0.127 1
1 992 . 7 1 1 A 86 86 LEU CA C 86 51.600 52.920 -1.320 1
1 993 . 7 1 1 A 86 86 LEU CB C 86 41.000 41.195 -0.195 1
1 997 . 7 1 1 A 86 86 LEU N N 86 121.700 124.119 -2.419 1
1 998 . 7 1 1 A 87 87 PRO HA H 87 4.740 4.713 0.027 1
1 1005 . 7 1 1 A 87 87 PRO CA C 87 60.800 61.490 -0.690 1
1 1006 . 7 1 1 A 87 87 PRO CB C 87 30.900 32.047 -1.147 1
1 1009 . 7 1 1 A 88 88 PRO HA H 88 4.330 4.493 -0.163 1
1 1016 . 7 1 1 A 88 88 PRO CA C 88 63.900 63.887 0.013 1
1 1017 . 7 1 1 A 88 88 PRO CB C 88 31.700 32.104 -0.404 1
1 1020 . 7 1 1 A 89 89 VAL H H 89 6.840 7.511 -0.671 1
1 1021 . 7 1 1 A 89 89 VAL HA H 89 4.030 4.855 -0.825 1
1 1029 . 7 1 1 A 89 89 VAL CA C 89 59.300 60.264 -0.964 1
1 1030 . 7 1 1 A 89 89 VAL CB C 89 35.500 36.231 -0.731 1
1 1033 . 7 1 1 A 89 89 VAL N N 89 112.700 118.224 -5.524 1
1 1034 . 7 1 1 A 90 90 LEU H H 90 8.990 8.966 0.024 1
1 1035 . 7 1 1 A 90 90 LEU HA H 90 4.150 4.969 -0.819 1
1 1045 . 7 1 1 A 90 90 LEU CA C 90 53.500 51.388 2.112 1
1 1046 . 7 1 1 A 90 90 LEU CB C 90 42.200 44.635 -2.435 1
1 1050 . 7 1 1 A 90 90 LEU N N 90 127.800 128.851 -1.051 1
1 1051 . 7 1 1 A 91 91 PRO HA H 91 4.830 4.732 0.098 1
1 1058 . 7 1 1 A 91 91 PRO CA C 91 61.100 61.747 -0.647 1
1 1059 . 7 1 1 A 91 91 PRO CB C 91 31.300 32.380 -1.080 1
1 1062 . 7 1 1 A 92 92 PRO HA H 92 4.230 4.222 0.008 1
1 1069 . 7 1 1 A 92 92 PRO CA C 92 65.100 65.306 -0.206 1
1 1070 . 7 1 1 A 92 92 PRO CB C 92 31.800 32.149 -0.349 1
1 1073 . 7 1 1 A 93 93 GLU H H 93 10.180 8.905 1.275 1
1 1074 . 7 1 1 A 93 93 GLU HA H 93 4.300 4.178 0.122 1
1 1079 . 7 1 1 A 93 93 GLU CA C 93 58.700 58.934 -0.234 1
1 1080 . 7 1 1 A 93 93 GLU CB C 93 27.500 29.102 -1.602 1
1 1082 . 7 1 1 A 93 93 GLU N N 93 116.400 116.835 -0.435 1
1 1083 . 7 1 1 A 94 94 TYR H H 94 8.510 8.086 0.424 1
1 1084 . 7 1 1 A 94 94 TYR HA H 94 4.510 5.088 -0.578 1
1 1091 . 7 1 1 A 94 94 TYR CA C 94 60.100 57.338 2.762 1
1 1092 . 7 1 1 A 94 94 TYR CB C 94 39.600 38.539 1.061 1
1 1095 . 7 1 1 A 94 94 TYR N N 94 119.400 115.777 3.623 1
1 1096 . 7 1 1 A 95 95 ILE H H 95 7.800 7.596 0.204 1
1 1097 . 7 1 1 A 95 95 ILE HA H 95 3.940 4.394 -0.454 1
1 1107 . 7 1 1 A 95 95 ILE CA C 95 60.200 57.754 2.446 1
1 1108 . 7 1 1 A 95 95 ILE CB C 95 37.800 38.413 -0.613 1
1 1112 . 7 1 1 A 95 95 ILE N N 95 124.500 121.834 2.666 1
1 1113 . 7 1 1 A 96 96 PRO HA H 96 2.770 3.918 -1.148 1
1 1120 . 7 1 1 A 96 96 PRO CA C 96 60.700 61.035 -0.335 1
1 1121 . 7 1 1 A 96 96 PRO CB C 96 31.400 31.117 0.283 1
1 1124 . 7 1 1 A 97 97 PRO HA H 97 3.680 4.135 -0.455 1
1 1131 . 7 1 1 A 97 97 PRO CA C 97 65.900 63.368 2.532 1
1 1132 . 7 1 1 A 97 97 PRO CB C 97 32.100 32.122 -0.022 1
1 1135 . 7 1 1 A 98 98 SER H H 98 9.160 8.560 0.600 1
1 1136 . 7 1 1 A 98 98 SER HA H 98 3.980 3.949 0.031 1
1 1139 . 7 1 1 A 98 98 SER CA C 98 60.900 60.881 0.019 1
1 1140 . 7 1 1 A 98 98 SER CB C 98 62.200 60.824 1.376 1
1 1141 . 7 1 1 A 98 98 SER N N 98 112.400 111.683 0.717 1
1 1142 . 7 1 1 A 99 99 PHE H H 99 7.950 8.691 -0.741 1
1 1143 . 7 1 1 A 99 99 PHE HA H 99 4.470 4.422 0.048 1
1 1151 . 7 1 1 A 99 99 PHE CA C 99 58.500 61.128 -2.628 1
1 1152 . 7 1 1 A 99 99 PHE CB C 99 40.100 38.017 2.083 1
1 1156 . 7 1 1 A 99 99 PHE N N 99 118.800 118.630 0.170 1
1 1157 . 7 1 1 A 100 100 ARG H H 100 7.350 8.036 -0.686 1
1 1158 . 7 1 1 A 100 100 ARG HA H 100 4.270 4.162 0.108 1
1 1165 . 7 1 1 A 100 100 ARG CA C 100 56.600 59.042 -2.442 1
1 1166 . 7 1 1 A 100 100 ARG CB C 100 30.300 30.607 -0.307 1
1 1169 . 7 1 1 A 100 100 ARG N N 100 120.200 119.257 0.943 1
1 1170 . 7 1 1 A 101 101 ARG H H 101 8.180 7.319 0.861 1
1 1171 . 7 1 1 A 101 101 ARG HA H 101 4.270 4.671 -0.401 1
1 1177 . 7 1 1 A 101 101 ARG CA C 101 56.700 54.786 1.914 1
1 1178 . 7 1 1 A 101 101 ARG CB C 101 30.700 31.781 -1.081 1
1 1181 . 7 1 1 A 101 101 ARG N N 101 121.100 115.181 5.919 1
1 1182 . 7 1 1 A 102 102 VAL H H 102 8.160 8.843 -0.683 1
1 1183 . 7 1 1 A 102 102 VAL HA H 102 4.080 4.333 -0.253 1
1 1191 . 7 1 1 A 102 102 VAL CA C 102 62.500 61.999 0.501 1
1 1192 . 7 1 1 A 102 102 VAL CB C 102 32.700 31.523 1.177 1
1 1195 . 7 1 1 A 102 102 VAL N N 102 121.500 124.657 -3.157 1
1 1196 . 7 1 1 A 103 103 ARG H H 103 7.920 7.662 0.258 1
1 1197 . 7 1 1 A 103 103 ARG HA H 103 4.160 4.312 -0.152 1
1 1204 . 7 1 1 A 103 103 ARG CA C 103 57.300 55.336 1.964 1
1 1205 . 7 1 1 A 103 103 ARG CB C 103 31.600 28.813 2.787 1
1 1208 . 7 1 1 A 103 103 ARG N N 103 129.400 124.684 4.716 1
1 1209 . 7 1 1 A 104 104 LEU H H 104 8.190 8.266 -0.076 1
1 1210 . 7 1 1 A 104 104 LEU N N 104 122.800 125.767 -2.967 1
1 1211 . 7 1 1 A 105 105 GLU H H 105 8.220 7.809 0.411 1
1 8 . 8 1 1 A 2 2 PRO HA H 2 4.430 4.502 -0.072 1
1 15 . 8 1 1 A 2 2 PRO CA C 2 62.800 62.979 -0.179 1
1 16 . 8 1 1 A 2 2 PRO CB C 2 31.900 31.951 -0.051 1
1 19 . 8 1 1 A 3 3 VAL H H 3 8.130 8.688 -0.558 1
1 20 . 8 1 1 A 3 3 VAL HA H 3 4.030 4.377 -0.347 1
1 28 . 8 1 1 A 3 3 VAL CA C 3 62.200 61.526 0.674 1
1 29 . 8 1 1 A 3 3 VAL CB C 3 32.700 32.054 0.646 1
1 32 . 8 1 1 A 3 3 VAL N N 3 120.100 124.395 -4.295 1
1 33 . 8 1 1 A 4 4 ALA H H 4 8.330 8.942 -0.612 1
1 34 . 8 1 1 A 4 4 ALA HA H 4 4.310 5.144 -0.834 1
1 38 . 8 1 1 A 4 4 ALA CA C 4 52.100 50.283 1.817 1
1 39 . 8 1 1 A 4 4 ALA CB C 4 19.400 21.261 -1.861 1
1 40 . 8 1 1 A 4 4 ALA N N 4 127.300 130.170 -2.870 1
1 41 . 8 1 1 A 5 5 GLU H H 5 8.290 9.014 -0.724 1
1 42 . 8 1 1 A 5 5 GLU HA H 5 4.290 4.581 -0.291 1
1 47 . 8 1 1 A 5 5 GLU CA C 5 56.100 55.924 0.176 1
1 48 . 8 1 1 A 5 5 GLU CB C 5 30.500 29.883 0.617 1
1 50 . 8 1 1 A 5 5 GLU N N 5 121.000 124.840 -3.840 1
1 51 . 8 1 1 A 6 6 TRP H H 6 8.670 8.119 0.551 1
1 52 . 8 1 1 A 6 6 TRP HA H 6 5.020 4.974 0.046 1
1 61 . 8 1 1 A 6 6 TRP CA C 6 54.500 57.014 -2.514 1
1 62 . 8 1 1 A 6 6 TRP CB C 6 30.100 32.490 -2.390 1
1 68 . 8 1 1 A 6 6 TRP N N 6 124.900 129.096 -4.196 1
1 70 . 8 1 1 A 7 7 ALA H H 7 7.850 9.409 -1.559 1
1 71 . 8 1 1 A 7 7 ALA HA H 7 3.790 4.097 -0.307 1
1 75 . 8 1 1 A 7 7 ALA CA C 7 53.200 51.381 1.819 1
1 76 . 8 1 1 A 7 7 ALA CB C 7 18.000 17.058 0.942 1
1 77 . 8 1 1 A 7 7 ALA N N 7 128.000 130.847 -2.847 1
1 78 . 8 1 1 A 8 8 VAL H H 8 5.280 7.851 -2.571 1
1 79 . 8 1 1 A 8 8 VAL HA H 8 2.850 4.143 -1.293 1
1 87 . 8 1 1 A 8 8 VAL CA C 8 59.700 57.663 2.037 1
1 88 . 8 1 1 A 8 8 VAL CB C 8 31.600 34.003 -2.403 1
1 91 . 8 1 1 A 8 8 VAL N N 8 117.000 120.908 -3.908 1
1 92 . 8 1 1 A 9 9 PRO HA H 9 4.340 4.408 -0.068 1
1 99 . 8 1 1 A 9 9 PRO CA C 9 62.800 63.132 -0.332 1
1 100 . 8 1 1 A 9 9 PRO CB C 9 32.400 32.433 -0.033 1
1 103 . 8 1 1 A 10 10 GLN HA H 10 3.710 3.931 -0.221 1
1 110 . 8 1 1 A 10 10 GLN CA C 10 60.100 58.914 1.186 1
1 111 . 8 1 1 A 10 10 GLN CB C 10 28.000 28.192 -0.192 1
1 114 . 8 1 1 A 11 11 SER HA H 11 4.070 4.178 -0.108 1
1 117 . 8 1 1 A 11 11 SER CA C 11 61.400 61.441 -0.041 1
1 118 . 8 1 1 A 11 11 SER CB C 11 61.400 62.374 -0.974 1
1 119 . 8 1 1 A 12 12 SER H H 12 7.070 7.982 -0.912 1
1 120 . 8 1 1 A 12 12 SER HA H 12 3.990 4.313 -0.323 1
1 123 . 8 1 1 A 12 12 SER CA C 12 61.500 61.365 0.135 1
1 124 . 8 1 1 A 12 12 SER CB C 12 61.500 63.134 -1.634 1
1 125 . 8 1 1 A 12 12 SER N N 12 119.300 116.520 2.780 1
1 126 . 8 1 1 A 13 13 ARG H H 13 8.000 7.531 0.469 1
1 127 . 8 1 1 A 13 13 ARG HA H 13 3.930 4.137 -0.207 1
1 134 . 8 1 1 A 13 13 ARG CA C 13 59.800 58.857 0.943 1
1 135 . 8 1 1 A 13 13 ARG CB C 13 30.300 29.761 0.539 1
1 138 . 8 1 1 A 13 13 ARG N N 13 121.600 119.828 1.772 1
1 139 . 8 1 1 A 14 14 LEU H H 14 7.710 8.572 -0.862 1
1 140 . 8 1 1 A 14 14 LEU HA H 14 4.120 4.007 0.113 1
1 150 . 8 1 1 A 14 14 LEU CA C 14 57.900 57.991 -0.091 1
1 151 . 8 1 1 A 14 14 LEU CB C 14 41.900 41.481 0.419 1
1 155 . 8 1 1 A 14 14 LEU N N 14 117.100 121.106 -4.006 1
1 156 . 8 1 1 A 15 15 LYS H H 15 7.450 7.752 -0.302 1
1 157 . 8 1 1 A 15 15 LYS HA H 15 4.050 3.954 0.096 1
1 166 . 8 1 1 A 15 15 LYS CA C 15 59.100 59.035 0.065 1
1 167 . 8 1 1 A 15 15 LYS CB C 15 33.000 32.221 0.779 1
1 171 . 8 1 1 A 15 15 LYS N N 15 118.800 120.588 -1.788 1
1 172 . 8 1 1 A 16 16 TYR H H 16 8.640 8.189 0.451 1
1 173 . 8 1 1 A 16 16 TYR HA H 16 5.130 4.017 1.113 1
1 180 . 8 1 1 A 16 16 TYR CA C 16 58.900 61.163 -2.263 1
1 181 . 8 1 1 A 16 16 TYR CB C 16 37.100 38.644 -1.544 1
1 184 . 8 1 1 A 16 16 TYR N N 16 117.800 121.270 -3.470 1
1 185 . 8 1 1 A 17 17 ARG H H 17 8.470 8.161 0.309 1
1 186 . 8 1 1 A 17 17 ARG HA H 17 4.230 3.916 0.314 1
1 193 . 8 1 1 A 17 17 ARG CA C 17 59.700 58.863 0.837 1
1 194 . 8 1 1 A 17 17 ARG CB C 17 29.800 29.407 0.393 1
1 197 . 8 1 1 A 17 17 ARG N N 17 124.000 118.610 5.390 1
1 198 . 8 1 1 A 18 18 GLN H H 18 7.740 7.841 -0.101 1
1 199 . 8 1 1 A 18 18 GLN HA H 18 4.190 4.143 0.047 1
1 206 . 8 1 1 A 18 18 GLN CA C 18 59.300 57.410 1.890 1
1 207 . 8 1 1 A 18 18 GLN CB C 18 27.900 29.121 -1.221 1
1 209 . 8 1 1 A 18 18 GLN N N 18 118.000 116.358 1.642 1
1 211 . 8 1 1 A 19 19 LEU H H 19 7.770 7.910 -0.140 1
1 212 . 8 1 1 A 19 19 LEU HA H 19 4.400 4.558 -0.158 1
1 222 . 8 1 1 A 19 19 LEU CA C 19 58.000 53.818 4.182 1
1 223 . 8 1 1 A 19 19 LEU CB C 19 42.800 42.766 0.034 1
1 227 . 8 1 1 A 19 19 LEU N N 19 120.500 121.367 -0.867 1
1 228 . 8 1 1 A 20 20 PHE H H 20 8.710 6.514 2.196 1
1 229 . 8 1 1 A 20 20 PHE HA H 20 3.330 3.922 -0.592 1
1 237 . 8 1 1 A 20 20 PHE CA C 20 62.400 60.763 1.637 1
1 238 . 8 1 1 A 20 20 PHE CB C 20 38.500 39.261 -0.761 1
1 242 . 8 1 1 A 20 20 PHE N N 20 121.900 123.245 -1.345 1
1 243 . 8 1 1 A 21 21 ASN H H 21 8.770 8.341 0.429 1
1 244 . 8 1 1 A 21 21 ASN HA H 21 4.380 4.310 0.070 1
1 249 . 8 1 1 A 21 21 ASN CA C 21 55.400 56.386 -0.986 1
1 250 . 8 1 1 A 21 21 ASN CB C 21 37.600 38.891 -1.291 1
1 251 . 8 1 1 A 21 21 ASN N N 21 117.300 117.330 -0.030 1
1 253 . 8 1 1 A 22 22 SER H H 22 7.900 8.700 -0.800 1
1 254 . 8 1 1 A 22 22 SER HA H 22 4.180 4.112 0.068 1
1 257 . 8 1 1 A 22 22 SER CA C 22 60.700 61.889 -1.189 1
1 258 . 8 1 1 A 22 22 SER CB C 22 62.900 62.988 -0.088 1
1 259 . 8 1 1 A 22 22 SER N N 22 114.800 115.788 -0.988 1
1 260 . 8 1 1 A 23 23 HIS H H 23 7.310 8.119 -0.809 1
1 261 . 8 1 1 A 23 23 HIS HA H 23 4.480 4.493 -0.013 1
1 266 . 8 1 1 A 23 23 HIS CA C 23 58.000 57.387 0.613 1
1 267 . 8 1 1 A 23 23 HIS CB C 23 32.400 31.294 1.106 1
1 270 . 8 1 1 A 23 23 HIS N N 23 118.900 116.854 2.046 1
1 271 . 8 1 1 A 24 24 ASP H H 24 7.870 7.970 -0.100 1
1 272 . 8 1 1 A 24 24 ASP HA H 24 4.850 4.175 0.675 1
1 275 . 8 1 1 A 24 24 ASP CA C 24 52.100 54.428 -2.328 1
1 276 . 8 1 1 A 24 24 ASP CB C 24 38.500 40.780 -2.280 1
1 277 . 8 1 1 A 24 24 ASP N N 24 122.400 117.461 4.939 1
1 278 . 8 1 1 A 25 25 LYS H H 25 7.900 8.765 -0.865 1
1 279 . 8 1 1 A 25 25 LYS HA H 25 4.070 4.569 -0.499 1
1 288 . 8 1 1 A 25 25 LYS CA C 25 58.600 55.605 2.995 1
1 289 . 8 1 1 A 25 25 LYS CB C 25 32.600 33.278 -0.678 1
1 293 . 8 1 1 A 25 25 LYS N N 25 122.400 121.188 1.212 1
1 294 . 8 1 1 A 26 26 THR H H 26 8.120 7.040 1.080 1
1 295 . 8 1 1 A 26 26 THR HA H 26 4.340 4.466 -0.126 1
1 300 . 8 1 1 A 26 26 THR CA C 26 61.000 59.921 1.079 1
1 301 . 8 1 1 A 26 26 THR CB C 26 69.100 69.781 -0.681 1
1 303 . 8 1 1 A 26 26 THR N N 26 106.400 111.575 -5.175 1
1 304 . 8 1 1 A 27 27 MET H H 27 8.030 8.510 -0.480 1
1 305 . 8 1 1 A 27 27 MET HA H 27 3.980 4.505 -0.525 1
1 310 . 8 1 1 A 27 27 MET CA C 27 56.600 54.115 2.485 1
1 311 . 8 1 1 A 27 27 MET CB C 27 29.100 31.300 -2.200 1
1 313 . 8 1 1 A 27 27 MET N N 27 119.600 122.821 -3.221 1
1 314 . 8 1 1 A 28 28 SER H H 28 9.520 8.186 1.334 1
1 315 . 8 1 1 A 28 28 SER HA H 28 4.250 4.092 0.158 1
1 318 . 8 1 1 A 28 28 SER CA C 28 60.500 61.081 -0.581 1
1 319 . 8 1 1 A 28 28 SER CB C 28 64.400 63.397 1.003 1
1 320 . 8 1 1 A 28 28 SER N N 28 118.600 120.108 -1.508 1
1 321 . 8 1 1 A 29 29 GLY H H 29 10.710 8.788 1.922 1
1 322 . 8 1 1 A 29 29 GLY HA2 H 29 4.380 4.099 0.281 1
1 323 . 8 1 1 A 29 29 GLY HA3 H 29 3.690 4.227 -0.537 1
1 324 . 8 1 1 A 29 29 GLY CA C 29 45.200 45.903 -0.703 1
1 325 . 8 1 1 A 29 29 GLY N N 29 113.800 109.148 4.652 1
1 326 . 8 1 1 A 30 30 HIS H H 30 7.870 7.371 0.499 1
1 327 . 8 1 1 A 30 30 HIS HA H 30 5.520 5.345 0.175 1
1 332 . 8 1 1 A 30 30 HIS CA C 30 55.800 54.582 1.218 1
1 333 . 8 1 1 A 30 30 HIS CB C 30 32.800 32.066 0.734 1
1 336 . 8 1 1 A 30 30 HIS N N 30 115.700 114.351 1.349 1
1 337 . 8 1 1 A 31 31 LEU H H 31 9.140 9.800 -0.660 1
1 338 . 8 1 1 A 31 31 LEU HA H 31 4.840 4.988 -0.148 1
1 348 . 8 1 1 A 31 31 LEU CA C 31 52.900 53.709 -0.809 1
1 349 . 8 1 1 A 31 31 LEU CB C 31 44.200 44.072 0.128 1
1 353 . 8 1 1 A 31 31 LEU N N 31 117.200 121.409 -4.209 1
1 354 . 8 1 1 A 32 32 THR H H 32 8.680 8.843 -0.163 1
1 355 . 8 1 1 A 32 32 THR HA H 32 4.340 4.826 -0.486 1
1 360 . 8 1 1 A 32 32 THR CA C 32 61.500 60.605 0.895 1
1 361 . 8 1 1 A 32 32 THR CB C 32 70.200 71.369 -1.169 1
1 363 . 8 1 1 A 32 32 THR N N 32 113.400 113.733 -0.333 1
1 364 . 8 1 1 A 33 33 GLY H H 33 9.090 8.638 0.452 1
1 365 . 8 1 1 A 33 33 GLY HA2 H 33 3.970 3.833 0.137 1
1 366 . 8 1 1 A 33 33 GLY HA3 H 33 4.070 4.068 0.002 1
1 367 . 8 1 1 A 33 33 GLY CA C 33 49.300 48.311 0.989 1
1 368 . 8 1 1 A 33 33 GLY N N 33 108.000 109.581 -1.581 1
1 369 . 8 1 1 A 34 34 PRO HA H 34 4.110 4.170 -0.060 1
1 376 . 8 1 1 A 34 34 PRO CA C 34 65.400 65.583 -0.183 1
1 377 . 8 1 1 A 34 34 PRO CB C 34 32.200 30.975 1.225 1
1 380 . 8 1 1 A 35 35 GLN H H 35 7.240 8.219 -0.979 1
1 381 . 8 1 1 A 35 35 GLN HA H 35 4.040 4.058 -0.018 1
1 388 . 8 1 1 A 35 35 GLN CA C 35 58.200 59.312 -1.112 1
1 389 . 8 1 1 A 35 35 GLN CB C 35 29.800 28.421 1.379 1
1 391 . 8 1 1 A 35 35 GLN N N 35 116.700 117.459 -0.759 1
1 393 . 8 1 1 A 36 36 ALA H H 36 9.180 8.472 0.708 1
1 394 . 8 1 1 A 36 36 ALA HA H 36 4.080 4.181 -0.101 1
1 398 . 8 1 1 A 36 36 ALA CA C 36 54.900 55.334 -0.434 1
1 399 . 8 1 1 A 36 36 ALA CB C 36 18.900 18.200 0.700 1
1 400 . 8 1 1 A 36 36 ALA N N 36 120.000 122.266 -2.266 1
1 401 . 8 1 1 A 37 37 ARG H H 37 9.060 8.630 0.430 1
1 402 . 8 1 1 A 37 37 ARG HA H 37 3.860 3.908 -0.048 1
1 409 . 8 1 1 A 37 37 ARG CA C 37 61.000 59.637 1.363 1
1 410 . 8 1 1 A 37 37 ARG CB C 37 29.900 30.005 -0.105 1
1 413 . 8 1 1 A 37 37 ARG N N 37 117.200 116.767 0.433 1
1 414 . 8 1 1 A 38 38 THR H H 38 7.620 8.190 -0.570 1
1 415 . 8 1 1 A 38 38 THR HA H 38 3.920 3.947 -0.027 1
1 420 . 8 1 1 A 38 38 THR CA C 38 66.900 66.998 -0.098 1
1 421 . 8 1 1 A 38 38 THR CB C 38 68.800 68.064 0.736 1
1 423 . 8 1 1 A 38 38 THR N N 38 114.600 118.578 -3.978 1
1 424 . 8 1 1 A 39 39 ILE H H 39 7.180 7.572 -0.392 1
1 425 . 8 1 1 A 39 39 ILE HA H 39 3.730 3.833 -0.103 1
1 435 . 8 1 1 A 39 39 ILE CA C 39 64.900 64.254 0.646 1
1 436 . 8 1 1 A 39 39 ILE CB C 39 39.000 37.596 1.404 1
1 440 . 8 1 1 A 39 39 ILE N N 39 121.500 121.682 -0.182 1
1 441 . 8 1 1 A 40 40 LEU H H 40 8.480 8.373 0.107 1
1 442 . 8 1 1 A 40 40 LEU HA H 40 3.870 3.952 -0.082 1
1 452 . 8 1 1 A 40 40 LEU CA C 40 58.500 57.913 0.587 1
1 453 . 8 1 1 A 40 40 LEU CB C 40 40.800 41.359 -0.559 1
1 457 . 8 1 1 A 40 40 LEU N N 40 119.900 120.059 -0.159 1
1 458 . 8 1 1 A 41 41 MET H H 41 8.160 8.195 -0.035 1
1 459 . 8 1 1 A 41 41 MET HA H 41 4.200 4.324 -0.124 1
1 464 . 8 1 1 A 41 41 MET CA C 41 57.700 57.475 0.225 1
1 465 . 8 1 1 A 41 41 MET CB C 41 32.500 31.369 1.131 1
1 467 . 8 1 1 A 41 41 MET N N 41 115.300 116.548 -1.248 1
1 468 . 8 1 1 A 42 42 GLN H H 42 7.600 7.749 -0.149 1
1 469 . 8 1 1 A 42 42 GLN HA H 42 4.230 4.244 -0.014 1
1 476 . 8 1 1 A 42 42 GLN CA C 42 57.200 58.034 -0.834 1
1 477 . 8 1 1 A 42 42 GLN CB C 42 27.900 28.148 -0.248 1
1 479 . 8 1 1 A 42 42 GLN N N 42 118.900 118.992 -0.092 1
1 481 . 8 1 1 A 43 43 SER H H 43 7.670 7.349 0.321 1
1 482 . 8 1 1 A 43 43 SER HA H 43 4.300 4.365 -0.065 1
1 485 . 8 1 1 A 43 43 SER CA C 43 59.800 59.335 0.465 1
1 486 . 8 1 1 A 43 43 SER CB C 43 65.200 64.285 0.915 1
1 487 . 8 1 1 A 43 43 SER N N 43 113.900 113.654 0.246 1
1 488 . 8 1 1 A 44 44 SER H H 44 8.040 7.903 0.137 1
1 489 . 8 1 1 A 44 44 SER HA H 44 4.300 4.187 0.113 1
1 492 . 8 1 1 A 44 44 SER CA C 44 59.400 59.737 -0.337 1
1 493 . 8 1 1 A 44 44 SER CB C 44 62.500 61.223 1.277 1
1 494 . 8 1 1 A 44 44 SER N N 44 113.500 112.737 0.763 1
1 495 . 8 1 1 A 45 45 LEU H H 45 7.430 7.440 -0.010 1
1 496 . 8 1 1 A 45 45 LEU HA H 45 4.470 4.378 0.092 1
1 506 . 8 1 1 A 45 45 LEU CA C 45 53.300 53.458 -0.158 1
1 507 . 8 1 1 A 45 45 LEU CB C 45 41.700 41.171 0.529 1
1 511 . 8 1 1 A 45 45 LEU N N 45 121.900 122.087 -0.187 1
1 512 . 8 1 1 A 46 46 PRO HA H 46 4.460 4.590 -0.130 1
1 519 . 8 1 1 A 46 46 PRO CA C 46 62.500 62.811 -0.311 1
1 520 . 8 1 1 A 46 46 PRO CB C 46 32.500 32.575 -0.075 1
1 523 . 8 1 1 A 47 47 GLN H H 47 8.820 8.610 0.210 1
1 524 . 8 1 1 A 47 47 GLN HA H 47 3.870 3.995 -0.125 1
1 531 . 8 1 1 A 47 47 GLN CA C 47 59.600 58.518 1.082 1
1 532 . 8 1 1 A 47 47 GLN CB C 47 28.100 27.952 0.148 1
1 534 . 8 1 1 A 47 47 GLN N N 47 123.400 122.310 1.090 1
1 536 . 8 1 1 A 48 48 ALA H H 48 9.000 8.179 0.821 1
1 537 . 8 1 1 A 48 48 ALA HA H 48 4.150 4.062 0.088 1
1 541 . 8 1 1 A 48 48 ALA CA C 48 55.200 55.178 0.022 1
1 542 . 8 1 1 A 48 48 ALA CB C 48 18.200 18.314 -0.114 1
1 543 . 8 1 1 A 48 48 ALA N N 48 119.800 122.364 -2.564 1
1 544 . 8 1 1 A 49 49 GLN H H 49 7.190 7.843 -0.653 1
1 545 . 8 1 1 A 49 49 GLN HA H 49 4.230 4.085 0.145 1
1 552 . 8 1 1 A 49 49 GLN CA C 49 58.600 58.750 -0.150 1
1 553 . 8 1 1 A 49 49 GLN CB C 49 29.400 28.268 1.132 1
1 555 . 8 1 1 A 49 49 GLN N N 49 115.800 117.591 -1.791 1
1 557 . 8 1 1 A 50 50 LEU H H 50 7.800 8.114 -0.314 1
1 558 . 8 1 1 A 50 50 LEU HA H 50 3.930 4.018 -0.088 1
1 568 . 8 1 1 A 50 50 LEU CA C 50 57.900 57.974 -0.074 1
1 569 . 8 1 1 A 50 50 LEU CB C 50 41.100 41.525 -0.425 1
1 573 . 8 1 1 A 50 50 LEU N N 50 119.800 120.960 -1.160 1
1 574 . 8 1 1 A 51 51 ALA H H 51 8.410 8.676 -0.266 1
1 575 . 8 1 1 A 51 51 ALA HA H 51 4.210 4.101 0.109 1
1 579 . 8 1 1 A 51 51 ALA CA C 51 55.100 55.306 -0.206 1
1 580 . 8 1 1 A 51 51 ALA CB C 51 17.500 18.000 -0.500 1
1 581 . 8 1 1 A 51 51 ALA N N 51 122.600 122.733 -0.133 1
1 582 . 8 1 1 A 52 52 SER H H 52 7.530 7.493 0.037 1
1 583 . 8 1 1 A 52 52 SER HA H 52 4.310 4.237 0.073 1
1 586 . 8 1 1 A 52 52 SER CA C 52 62.200 61.599 0.601 1
1 587 . 8 1 1 A 52 52 SER CB C 52 62.600 63.056 -0.456 1
1 588 . 8 1 1 A 52 52 SER N N 52 115.300 113.515 1.785 1
1 589 . 8 1 1 A 53 53 ILE H H 53 8.270 8.214 0.056 1
1 590 . 8 1 1 A 53 53 ILE HA H 53 3.430 3.652 -0.222 1
1 600 . 8 1 1 A 53 53 ILE CA C 53 66.300 64.854 1.446 1
1 601 . 8 1 1 A 53 53 ILE CB C 53 37.900 37.445 0.455 1
1 605 . 8 1 1 A 53 53 ILE N N 53 122.000 121.870 0.130 1
1 606 . 8 1 1 A 54 54 TRP H H 54 8.480 8.554 -0.074 1
1 607 . 8 1 1 A 54 54 TRP HA H 54 3.720 4.365 -0.645 1
1 616 . 8 1 1 A 54 54 TRP CA C 54 61.400 60.646 0.754 1
1 617 . 8 1 1 A 54 54 TRP CB C 54 28.100 29.352 -1.252 1
1 623 . 8 1 1 A 54 54 TRP N N 54 122.100 121.505 0.595 1
1 625 . 8 1 1 A 55 55 ASN H H 55 7.860 8.515 -0.655 1
1 626 . 8 1 1 A 55 55 ASN HA H 55 4.350 4.433 -0.083 1
1 631 . 8 1 1 A 55 55 ASN CA C 55 55.900 56.280 -0.380 1
1 632 . 8 1 1 A 55 55 ASN CB C 55 38.500 39.884 -1.384 1
1 633 . 8 1 1 A 55 55 ASN N N 55 113.900 118.062 -4.162 1
1 635 . 8 1 1 A 56 56 LEU H H 56 8.020 8.059 -0.039 1
1 636 . 8 1 1 A 56 56 LEU HA H 56 3.990 4.052 -0.062 1
1 646 . 8 1 1 A 56 56 LEU CA C 56 56.700 57.684 -0.984 1
1 647 . 8 1 1 A 56 56 LEU CB C 56 43.900 41.237 2.663 1
1 651 . 8 1 1 A 56 56 LEU N N 56 117.500 119.879 -2.379 1
1 652 . 8 1 1 A 57 57 SER H H 57 7.280 7.888 -0.608 1
1 653 . 8 1 1 A 57 57 SER HA H 57 4.290 4.151 0.139 1
1 656 . 8 1 1 A 57 57 SER CA C 57 61.100 61.087 0.013 1
1 657 . 8 1 1 A 57 57 SER CB C 57 64.000 62.742 1.258 1
1 658 . 8 1 1 A 57 57 SER N N 57 111.100 113.380 -2.280 1
1 659 . 8 1 1 A 58 58 ASP H H 58 7.030 7.782 -0.752 1
1 660 . 8 1 1 A 58 58 ASP HA H 58 4.650 4.177 0.473 1
1 663 . 8 1 1 A 58 58 ASP CA C 58 51.400 53.125 -1.725 1
1 664 . 8 1 1 A 58 58 ASP CB C 58 37.200 40.150 -2.950 1
1 665 . 8 1 1 A 58 58 ASP N N 58 115.600 120.372 -4.772 1
1 666 . 8 1 1 A 59 59 ILE H H 59 8.630 8.154 0.476 1
1 667 . 8 1 1 A 59 59 ILE HA H 59 3.260 3.704 -0.444 1
1 677 . 8 1 1 A 59 59 ILE CA C 59 62.900 64.618 -1.718 1
1 678 . 8 1 1 A 59 59 ILE CB C 59 36.600 37.907 -1.307 1
1 682 . 8 1 1 A 59 59 ILE N N 59 128.500 125.515 2.985 1
1 683 . 8 1 1 A 60 60 ASP H H 60 7.960 7.532 0.428 1
1 684 . 8 1 1 A 60 60 ASP HA H 60 4.480 4.637 -0.157 1
1 687 . 8 1 1 A 60 60 ASP CA C 60 52.300 56.239 -3.939 1
1 688 . 8 1 1 A 60 60 ASP CB C 60 39.100 41.505 -2.405 1
1 689 . 8 1 1 A 60 60 ASP N N 60 113.200 119.654 -6.454 1
1 690 . 8 1 1 A 61 61 GLN H H 61 7.550 8.007 -0.457 1
1 691 . 8 1 1 A 61 61 GLN HA H 61 3.800 3.912 -0.112 1
1 698 . 8 1 1 A 61 61 GLN CA C 61 57.100 56.715 0.385 1
1 699 . 8 1 1 A 61 61 GLN CB C 61 26.400 26.261 0.139 1
1 701 . 8 1 1 A 61 61 GLN N N 61 113.800 116.901 -3.101 1
1 703 . 8 1 1 A 62 62 ASP H H 62 8.390 7.957 0.433 1
1 704 . 8 1 1 A 62 62 ASP HA H 62 4.720 4.804 -0.084 1
1 707 . 8 1 1 A 62 62 ASP CA C 62 52.800 54.275 -1.475 1
1 708 . 8 1 1 A 62 62 ASP CB C 62 41.000 42.660 -1.660 1
1 709 . 8 1 1 A 62 62 ASP N N 62 117.700 119.603 -1.903 1
1 710 . 8 1 1 A 63 63 GLY H H 63 10.840 8.848 1.992 1
1 711 . 8 1 1 A 63 63 GLY HA2 H 63 4.310 4.149 0.161 1
1 712 . 8 1 1 A 63 63 GLY HA3 H 63 3.880 4.443 -0.563 1
1 713 . 8 1 1 A 63 63 GLY CA C 63 46.200 45.678 0.522 1
1 714 . 8 1 1 A 63 63 GLY N N 63 114.200 107.739 6.461 1
1 715 . 8 1 1 A 64 64 LYS H H 64 8.070 7.450 0.620 1
1 716 . 8 1 1 A 64 64 LYS HA H 64 5.030 5.156 -0.126 1
1 725 . 8 1 1 A 64 64 LYS CA C 64 54.200 54.785 -0.585 1
1 726 . 8 1 1 A 64 64 LYS CB C 64 36.100 36.572 -0.472 1
1 730 . 8 1 1 A 64 64 LYS N N 64 117.400 119.665 -2.265 1
1 731 . 8 1 1 A 65 65 LEU H H 65 8.990 8.978 0.012 1
1 732 . 8 1 1 A 65 65 LEU HA H 65 5.750 4.801 0.949 1
1 742 . 8 1 1 A 65 65 LEU CA C 65 52.900 53.279 -0.379 1
1 743 . 8 1 1 A 65 65 LEU CB C 65 43.600 44.663 -1.063 1
1 747 . 8 1 1 A 65 65 LEU N N 65 120.700 121.669 -0.969 1
1 748 . 8 1 1 A 66 66 THR H H 66 10.210 8.866 1.344 1
1 749 . 8 1 1 A 66 66 THR HA H 66 4.910 4.784 0.126 1
1 754 . 8 1 1 A 66 66 THR CA C 66 60.900 61.063 -0.163 1
1 755 . 8 1 1 A 66 66 THR CB C 66 71.200 71.052 0.148 1
1 757 . 8 1 1 A 66 66 THR N N 66 116.300 118.140 -1.840 1
1 758 . 8 1 1 A 67 67 ALA H H 67 8.350 8.688 -0.338 1
1 759 . 8 1 1 A 67 67 ALA HA H 67 2.620 4.372 -1.752 1
1 763 . 8 1 1 A 67 67 ALA CA C 67 56.200 55.366 0.834 1
1 764 . 8 1 1 A 67 67 ALA CB C 67 18.000 17.923 0.077 1
1 765 . 8 1 1 A 67 67 ALA N N 67 122.000 124.132 -2.132 1
1 766 . 8 1 1 A 68 68 GLU H H 68 8.160 8.165 -0.005 1
1 767 . 8 1 1 A 68 68 GLU HA H 68 4.180 4.155 0.025 1
1 772 . 8 1 1 A 68 68 GLU CA C 68 60.500 59.468 1.032 1
1 773 . 8 1 1 A 68 68 GLU CB C 68 30.500 29.215 1.285 1
1 775 . 8 1 1 A 68 68 GLU N N 68 112.200 117.874 -5.674 1
1 776 . 8 1 1 A 69 69 GLU H H 69 7.280 7.360 -0.080 1
1 777 . 8 1 1 A 69 69 GLU HA H 69 4.030 3.863 0.167 1
1 782 . 8 1 1 A 69 69 GLU CA C 69 60.100 58.662 1.438 1
1 783 . 8 1 1 A 69 69 GLU CB C 69 31.800 29.264 2.536 1
1 785 . 8 1 1 A 69 69 GLU N N 69 117.400 120.063 -2.663 1
1 786 . 8 1 1 A 70 70 PHE H H 70 8.940 8.219 0.721 1
1 787 . 8 1 1 A 70 70 PHE HA H 70 4.130 3.878 0.252 1
1 795 . 8 1 1 A 70 70 PHE CA C 70 61.900 60.648 1.252 1
1 796 . 8 1 1 A 70 70 PHE CB C 70 39.900 39.184 0.716 1
1 800 . 8 1 1 A 70 70 PHE N N 70 119.000 121.488 -2.488 1
1 801 . 8 1 1 A 71 71 ILE H H 71 8.890 7.763 1.127 1
1 802 . 8 1 1 A 71 71 ILE HA H 71 3.380 3.435 -0.055 1
1 812 . 8 1 1 A 71 71 ILE CA C 71 65.800 65.198 0.602 1
1 813 . 8 1 1 A 71 71 ILE CB C 71 39.100 37.795 1.305 1
1 817 . 8 1 1 A 71 71 ILE N N 71 119.800 119.700 0.100 1
1 818 . 8 1 1 A 72 72 LEU H H 72 7.810 7.911 -0.101 1
1 819 . 8 1 1 A 72 72 LEU HA H 72 4.040 4.136 -0.096 1
1 829 . 8 1 1 A 72 72 LEU CA C 72 58.300 58.029 0.271 1
1 830 . 8 1 1 A 72 72 LEU CB C 72 42.600 41.404 1.196 1
1 834 . 8 1 1 A 72 72 LEU N N 72 118.100 121.144 -3.044 1
1 835 . 8 1 1 A 73 73 ALA H H 73 8.340 7.799 0.541 1
1 836 . 8 1 1 A 73 73 ALA HA H 73 3.820 4.072 -0.252 1
1 840 . 8 1 1 A 73 73 ALA CA C 73 55.600 55.465 0.135 1
1 841 . 8 1 1 A 73 73 ALA CB C 73 17.600 18.354 -0.754 1
1 842 . 8 1 1 A 73 73 ALA N N 73 122.000 121.207 0.793 1
1 843 . 8 1 1 A 74 74 MET H H 74 7.840 8.469 -0.629 1
1 844 . 8 1 1 A 74 74 MET HA H 74 3.830 4.212 -0.382 1
1 852 . 8 1 1 A 74 74 MET CA C 74 55.400 58.822 -3.422 1
1 853 . 8 1 1 A 74 74 MET CB C 74 27.800 32.227 -4.427 1
1 856 . 8 1 1 A 74 74 MET N N 74 113.400 116.842 -3.442 1
1 857 . 8 1 1 A 75 75 HIS H H 75 8.340 8.059 0.281 1
1 858 . 8 1 1 A 75 75 HIS HA H 75 4.510 4.335 0.175 1
1 863 . 8 1 1 A 75 75 HIS CA C 75 60.000 59.364 0.636 1
1 864 . 8 1 1 A 75 75 HIS CB C 75 31.400 30.033 1.367 1
1 867 . 8 1 1 A 75 75 HIS N N 75 120.200 120.641 -0.441 1
1 868 . 8 1 1 A 76 76 LEU H H 76 8.750 8.520 0.230 1
1 869 . 8 1 1 A 76 76 LEU HA H 76 3.670 3.778 -0.108 1
1 879 . 8 1 1 A 76 76 LEU CA C 76 57.700 57.813 -0.113 1
1 880 . 8 1 1 A 76 76 LEU CB C 76 41.400 41.445 -0.045 1
1 884 . 8 1 1 A 76 76 LEU N N 76 118.600 119.565 -0.965 1
1 885 . 8 1 1 A 77 77 ILE H H 77 7.980 8.142 -0.162 1
1 886 . 8 1 1 A 77 77 ILE HA H 77 3.470 3.464 0.006 1
1 896 . 8 1 1 A 77 77 ILE CA C 77 66.000 65.105 0.895 1
1 897 . 8 1 1 A 77 77 ILE CB C 77 36.500 37.668 -1.168 1
1 901 . 8 1 1 A 77 77 ILE N N 77 120.900 120.195 0.705 1
1 902 . 8 1 1 A 78 78 ASP H H 78 7.490 8.008 -0.518 1
1 903 . 8 1 1 A 78 78 ASP HA H 78 4.300 4.272 0.028 1
1 906 . 8 1 1 A 78 78 ASP CA C 78 57.900 57.622 0.278 1
1 907 . 8 1 1 A 78 78 ASP CB C 78 39.000 41.578 -2.578 1
1 908 . 8 1 1 A 78 78 ASP N N 78 121.500 120.627 0.873 1
1 909 . 8 1 1 A 79 79 VAL H H 79 8.380 7.817 0.563 1
1 910 . 8 1 1 A 79 79 VAL HA H 79 3.390 3.463 -0.073 1
1 918 . 8 1 1 A 79 79 VAL CA C 79 66.400 66.341 0.059 1
1 919 . 8 1 1 A 79 79 VAL CB C 79 31.700 31.459 0.241 1
1 922 . 8 1 1 A 79 79 VAL N N 79 122.400 119.446 2.954 1
1 923 . 8 1 1 A 80 80 ALA H H 80 8.730 8.571 0.159 1
1 924 . 8 1 1 A 80 80 ALA HA H 80 4.360 4.519 -0.159 1
1 928 . 8 1 1 A 80 80 ALA CA C 80 54.800 55.658 -0.858 1
1 929 . 8 1 1 A 80 80 ALA CB C 80 18.100 17.885 0.215 1
1 930 . 8 1 1 A 80 80 ALA N N 80 125.200 122.044 3.156 1
1 931 . 8 1 1 A 81 81 MET H H 81 9.360 8.515 0.845 1
1 932 . 8 1 1 A 81 81 MET HA H 81 4.210 4.179 0.031 1
1 940 . 8 1 1 A 81 81 MET CA C 81 57.800 57.923 -0.123 1
1 941 . 8 1 1 A 81 81 MET CB C 81 31.800 32.067 -0.267 1
1 944 . 8 1 1 A 81 81 MET N N 81 119.600 119.111 0.489 1
1 945 . 8 1 1 A 82 82 SER H H 82 7.780 7.453 0.327 1
1 946 . 8 1 1 A 82 82 SER HA H 82 4.510 4.529 -0.019 1
1 949 . 8 1 1 A 82 82 SER CA C 82 59.500 58.288 1.212 1
1 950 . 8 1 1 A 82 82 SER CB C 82 64.000 63.560 0.440 1
1 951 . 8 1 1 A 82 82 SER N N 82 114.000 112.709 1.291 1
1 952 . 8 1 1 A 83 83 GLY H H 83 7.910 8.129 -0.219 1
1 953 . 8 1 1 A 83 83 GLY HA2 H 83 3.700 3.883 -0.183 1
1 954 . 8 1 1 A 83 83 GLY HA3 H 83 4.350 3.883 0.467 1
1 955 . 8 1 1 A 83 83 GLY CA C 83 44.900 45.068 -0.168 1
1 956 . 8 1 1 A 83 83 GLY N N 83 109.400 109.731 -0.331 1
1 957 . 8 1 1 A 84 84 GLN H H 84 7.100 7.466 -0.366 1
1 958 . 8 1 1 A 84 84 GLN HA H 84 4.530 4.664 -0.134 1
1 965 . 8 1 1 A 84 84 GLN CA C 84 53.100 52.833 0.267 1
1 966 . 8 1 1 A 84 84 GLN CB C 84 29.000 29.230 -0.230 1
1 968 . 8 1 1 A 84 84 GLN N N 84 120.700 120.890 -0.190 1
1 970 . 8 1 1 A 85 85 PRO HA H 85 4.360 4.635 -0.275 1
1 977 . 8 1 1 A 85 85 PRO CA C 85 61.800 62.248 -0.448 1
1 978 . 8 1 1 A 85 85 PRO CB C 85 31.800 32.783 -0.983 1
1 981 . 8 1 1 A 86 86 LEU H H 86 8.360 8.399 -0.039 1
1 982 . 8 1 1 A 86 86 LEU HA H 86 4.380 4.744 -0.364 1
1 992 . 8 1 1 A 86 86 LEU CA C 86 51.600 52.559 -0.959 1
1 993 . 8 1 1 A 86 86 LEU CB C 86 41.000 41.738 -0.738 1
1 997 . 8 1 1 A 86 86 LEU N N 86 121.700 121.331 0.369 1
1 998 . 8 1 1 A 87 87 PRO HA H 87 4.740 4.635 0.105 1
1 1005 . 8 1 1 A 87 87 PRO CA C 87 60.800 61.604 -0.804 1
1 1006 . 8 1 1 A 87 87 PRO CB C 87 30.900 32.162 -1.262 1
1 1009 . 8 1 1 A 88 88 PRO HA H 88 4.330 4.385 -0.055 1
1 1016 . 8 1 1 A 88 88 PRO CA C 88 63.900 64.601 -0.701 1
1 1017 . 8 1 1 A 88 88 PRO CB C 88 31.700 32.107 -0.407 1
1 1020 . 8 1 1 A 89 89 VAL H H 89 6.840 7.098 -0.258 1
1 1021 . 8 1 1 A 89 89 VAL HA H 89 4.030 4.707 -0.677 1
1 1029 . 8 1 1 A 89 89 VAL CA C 89 59.300 59.188 0.112 1
1 1030 . 8 1 1 A 89 89 VAL CB C 89 35.500 35.690 -0.190 1
1 1033 . 8 1 1 A 89 89 VAL N N 89 112.700 109.486 3.214 1
1 1034 . 8 1 1 A 90 90 LEU H H 90 8.990 8.620 0.370 1
1 1035 . 8 1 1 A 90 90 LEU HA H 90 4.150 4.852 -0.702 1
1 1045 . 8 1 1 A 90 90 LEU CA C 90 53.500 52.180 1.320 1
1 1046 . 8 1 1 A 90 90 LEU CB C 90 42.200 44.497 -2.297 1
1 1050 . 8 1 1 A 90 90 LEU N N 90 127.800 126.377 1.423 1
1 1051 . 8 1 1 A 91 91 PRO HA H 91 4.830 4.728 0.102 1
1 1058 . 8 1 1 A 91 91 PRO CA C 91 61.100 61.738 -0.638 1
1 1059 . 8 1 1 A 91 91 PRO CB C 91 31.300 32.372 -1.072 1
1 1062 . 8 1 1 A 92 92 PRO HA H 92 4.230 4.195 0.035 1
1 1069 . 8 1 1 A 92 92 PRO CA C 92 65.100 65.651 -0.551 1
1 1070 . 8 1 1 A 92 92 PRO CB C 92 31.800 32.142 -0.342 1
1 1073 . 8 1 1 A 93 93 GLU H H 93 10.180 9.067 1.113 1
1 1074 . 8 1 1 A 93 93 GLU HA H 93 4.300 4.113 0.187 1
1 1079 . 8 1 1 A 93 93 GLU CA C 93 58.700 59.378 -0.678 1
1 1080 . 8 1 1 A 93 93 GLU CB C 93 27.500 29.127 -1.627 1
1 1082 . 8 1 1 A 93 93 GLU N N 93 116.400 117.596 -1.196 1
1 1083 . 8 1 1 A 94 94 TYR H H 94 8.510 8.024 0.486 1
1 1084 . 8 1 1 A 94 94 TYR HA H 94 4.510 4.833 -0.323 1
1 1091 . 8 1 1 A 94 94 TYR CA C 94 60.100 58.536 1.564 1
1 1092 . 8 1 1 A 94 94 TYR CB C 94 39.600 38.727 0.873 1
1 1095 . 8 1 1 A 94 94 TYR N N 94 119.400 115.665 3.735 1
1 1096 . 8 1 1 A 95 95 ILE H H 95 7.800 7.440 0.360 1
1 1097 . 8 1 1 A 95 95 ILE HA H 95 3.940 4.244 -0.304 1
1 1107 . 8 1 1 A 95 95 ILE CA C 95 60.200 59.290 0.910 1
1 1108 . 8 1 1 A 95 95 ILE CB C 95 37.800 38.061 -0.261 1
1 1112 . 8 1 1 A 95 95 ILE N N 95 124.500 122.711 1.789 1
1 1113 . 8 1 1 A 96 96 PRO HA H 96 2.770 2.932 -0.162 1
1 1120 . 8 1 1 A 96 96 PRO CA C 96 60.700 60.782 -0.082 1
1 1121 . 8 1 1 A 96 96 PRO CB C 96 31.400 31.033 0.367 1
1 1124 . 8 1 1 A 97 97 PRO HA H 97 3.680 4.166 -0.486 1
1 1131 . 8 1 1 A 97 97 PRO CA C 97 65.900 62.734 3.166 1
1 1132 . 8 1 1 A 97 97 PRO CB C 97 32.100 32.437 -0.337 1
1 1135 . 8 1 1 A 98 98 SER H H 98 9.160 8.535 0.625 1
1 1136 . 8 1 1 A 98 98 SER HA H 98 3.980 3.922 0.058 1
1 1139 . 8 1 1 A 98 98 SER CA C 98 60.900 60.971 -0.071 1
1 1140 . 8 1 1 A 98 98 SER CB C 98 62.200 61.025 1.175 1
1 1141 . 8 1 1 A 98 98 SER N N 98 112.400 111.381 1.019 1
1 1142 . 8 1 1 A 99 99 PHE H H 99 7.950 8.848 -0.898 1
1 1143 . 8 1 1 A 99 99 PHE HA H 99 4.470 4.549 -0.079 1
1 1151 . 8 1 1 A 99 99 PHE CA C 99 58.500 58.653 -0.153 1
1 1152 . 8 1 1 A 99 99 PHE CB C 99 40.100 38.046 2.054 1
1 1156 . 8 1 1 A 99 99 PHE N N 99 118.800 117.389 1.411 1
1 1157 . 8 1 1 A 100 100 ARG H H 100 7.350 7.727 -0.377 1
1 1158 . 8 1 1 A 100 100 ARG HA H 100 4.270 4.276 -0.006 1
1 1165 . 8 1 1 A 100 100 ARG CA C 100 56.600 57.419 -0.819 1
1 1166 . 8 1 1 A 100 100 ARG CB C 100 30.300 30.127 0.173 1
1 1169 . 8 1 1 A 100 100 ARG N N 100 120.200 119.019 1.181 1
1 1170 . 8 1 1 A 101 101 ARG H H 101 8.180 7.474 0.706 1
1 1171 . 8 1 1 A 101 101 ARG HA H 101 4.270 4.796 -0.526 1
1 1177 . 8 1 1 A 101 101 ARG CA C 101 56.700 54.885 1.815 1
1 1178 . 8 1 1 A 101 101 ARG CB C 101 30.700 31.752 -1.052 1
1 1181 . 8 1 1 A 101 101 ARG N N 101 121.100 120.819 0.281 1
1 1182 . 8 1 1 A 102 102 VAL H H 102 8.160 8.580 -0.420 1
1 1183 . 8 1 1 A 102 102 VAL HA H 102 4.080 4.414 -0.334 1
1 1191 . 8 1 1 A 102 102 VAL CA C 102 62.500 61.740 0.760 1
1 1192 . 8 1 1 A 102 102 VAL CB C 102 32.700 31.753 0.947 1
1 1195 . 8 1 1 A 102 102 VAL N N 102 121.500 126.427 -4.927 1
1 1196 . 8 1 1 A 103 103 ARG H H 103 7.920 8.957 -1.037 1
1 1197 . 8 1 1 A 103 103 ARG HA H 103 4.160 4.024 0.136 1
1 1204 . 8 1 1 A 103 103 ARG CA C 103 57.300 56.900 0.400 1
1 1205 . 8 1 1 A 103 103 ARG CB C 103 31.600 28.865 2.735 1
1 1208 . 8 1 1 A 103 103 ARG N N 103 129.400 126.197 3.203 1
1 1209 . 8 1 1 A 104 104 LEU H H 104 8.190 8.232 -0.042 1
1 1210 . 8 1 1 A 104 104 LEU N N 104 122.800 128.733 -5.933 1
1 1211 . 8 1 1 A 105 105 GLU H H 105 8.220 7.862 0.358 1
1 8 . 9 1 1 A 2 2 PRO HA H 2 4.430 4.778 -0.348 1
1 15 . 9 1 1 A 2 2 PRO CA C 2 62.800 62.566 0.234 1
1 16 . 9 1 1 A 2 2 PRO CB C 2 31.900 31.892 0.008 1
1 19 . 9 1 1 A 3 3 VAL H H 3 8.130 8.585 -0.455 1
1 20 . 9 1 1 A 3 3 VAL HA H 3 4.030 4.340 -0.310 1
1 28 . 9 1 1 A 3 3 VAL CA C 3 62.200 61.610 0.590 1
1 29 . 9 1 1 A 3 3 VAL CB C 3 32.700 32.634 0.066 1
1 32 . 9 1 1 A 3 3 VAL N N 3 120.100 124.291 -4.191 1
1 33 . 9 1 1 A 4 4 ALA H H 4 8.330 8.483 -0.153 1
1 34 . 9 1 1 A 4 4 ALA HA H 4 4.310 4.894 -0.584 1
1 38 . 9 1 1 A 4 4 ALA CA C 4 52.100 50.321 1.779 1
1 39 . 9 1 1 A 4 4 ALA CB C 4 19.400 22.262 -2.862 1
1 40 . 9 1 1 A 4 4 ALA N N 4 127.300 129.472 -2.172 1
1 41 . 9 1 1 A 5 5 GLU H H 5 8.290 8.799 -0.509 1
1 42 . 9 1 1 A 5 5 GLU HA H 5 4.290 4.308 -0.018 1
1 47 . 9 1 1 A 5 5 GLU CA C 5 56.100 57.251 -1.151 1
1 48 . 9 1 1 A 5 5 GLU CB C 5 30.500 29.355 1.145 1
1 50 . 9 1 1 A 5 5 GLU N N 5 121.000 117.684 3.316 1
1 51 . 9 1 1 A 6 6 TRP H H 6 8.670 8.494 0.176 1
1 52 . 9 1 1 A 6 6 TRP HA H 6 5.020 4.862 0.158 1
1 61 . 9 1 1 A 6 6 TRP CA C 6 54.500 57.290 -2.790 1
1 62 . 9 1 1 A 6 6 TRP CB C 6 30.100 30.051 0.049 1
1 68 . 9 1 1 A 6 6 TRP N N 6 124.900 123.929 0.971 1
1 70 . 9 1 1 A 7 7 ALA H H 7 7.850 9.044 -1.194 1
1 71 . 9 1 1 A 7 7 ALA HA H 7 3.790 4.050 -0.260 1
1 75 . 9 1 1 A 7 7 ALA CA C 7 53.200 51.621 1.579 1
1 76 . 9 1 1 A 7 7 ALA CB C 7 18.000 16.741 1.259 1
1 77 . 9 1 1 A 7 7 ALA N N 7 128.000 128.756 -0.756 1
1 78 . 9 1 1 A 8 8 VAL H H 8 5.280 7.463 -2.183 1
1 79 . 9 1 1 A 8 8 VAL HA H 8 2.850 3.786 -0.936 1
1 87 . 9 1 1 A 8 8 VAL CA C 8 59.700 57.346 2.354 1
1 88 . 9 1 1 A 8 8 VAL CB C 8 31.600 34.466 -2.866 1
1 91 . 9 1 1 A 8 8 VAL N N 8 117.000 118.847 -1.847 1
1 92 . 9 1 1 A 9 9 PRO HA H 9 4.340 4.381 -0.041 1
1 99 . 9 1 1 A 9 9 PRO CA C 9 62.800 63.004 -0.204 1
1 100 . 9 1 1 A 9 9 PRO CB C 9 32.400 32.558 -0.158 1
1 103 . 9 1 1 A 10 10 GLN HA H 10 3.710 3.909 -0.199 1
1 110 . 9 1 1 A 10 10 GLN CA C 10 60.100 59.160 0.940 1
1 111 . 9 1 1 A 10 10 GLN CB C 10 28.000 28.314 -0.314 1
1 114 . 9 1 1 A 11 11 SER HA H 11 4.070 4.154 -0.084 1
1 117 . 9 1 1 A 11 11 SER CA C 11 61.400 61.471 -0.071 1
1 118 . 9 1 1 A 11 11 SER CB C 11 61.400 62.178 -0.778 1
1 119 . 9 1 1 A 12 12 SER H H 12 7.070 7.967 -0.897 1
1 120 . 9 1 1 A 12 12 SER HA H 12 3.990 4.117 -0.127 1
1 123 . 9 1 1 A 12 12 SER CA C 12 61.500 61.391 0.109 1
1 124 . 9 1 1 A 12 12 SER CB C 12 61.500 62.934 -1.434 1
1 125 . 9 1 1 A 12 12 SER N N 12 119.300 117.214 2.086 1
1 126 . 9 1 1 A 13 13 ARG H H 13 8.000 8.024 -0.024 1
1 127 . 9 1 1 A 13 13 ARG HA H 13 3.930 4.160 -0.230 1
1 134 . 9 1 1 A 13 13 ARG CA C 13 59.800 58.938 0.862 1
1 135 . 9 1 1 A 13 13 ARG CB C 13 30.300 29.578 0.722 1
1 138 . 9 1 1 A 13 13 ARG N N 13 121.600 119.450 2.150 1
1 139 . 9 1 1 A 14 14 LEU H H 14 7.710 8.214 -0.504 1
1 140 . 9 1 1 A 14 14 LEU HA H 14 4.120 4.108 0.012 1
1 150 . 9 1 1 A 14 14 LEU CA C 14 57.900 57.797 0.103 1
1 151 . 9 1 1 A 14 14 LEU CB C 14 41.900 41.258 0.642 1
1 155 . 9 1 1 A 14 14 LEU N N 14 117.100 121.201 -4.101 1
1 156 . 9 1 1 A 15 15 LYS H H 15 7.450 8.291 -0.841 1
1 157 . 9 1 1 A 15 15 LYS HA H 15 4.050 3.907 0.143 1
1 166 . 9 1 1 A 15 15 LYS CA C 15 59.100 58.942 0.158 1
1 167 . 9 1 1 A 15 15 LYS CB C 15 33.000 31.980 1.020 1
1 171 . 9 1 1 A 15 15 LYS N N 15 118.800 120.563 -1.763 1
1 172 . 9 1 1 A 16 16 TYR H H 16 8.640 7.660 0.980 1
1 173 . 9 1 1 A 16 16 TYR HA H 16 5.130 4.641 0.489 1
1 180 . 9 1 1 A 16 16 TYR CA C 16 58.900 59.585 -0.685 1
1 181 . 9 1 1 A 16 16 TYR CB C 16 37.100 37.843 -0.743 1
1 184 . 9 1 1 A 16 16 TYR N N 16 117.800 117.652 0.148 1
1 185 . 9 1 1 A 17 17 ARG H H 17 8.470 8.483 -0.013 1
1 186 . 9 1 1 A 17 17 ARG HA H 17 4.230 4.140 0.090 1
1 193 . 9 1 1 A 17 17 ARG CA C 17 59.700 59.407 0.293 1
1 194 . 9 1 1 A 17 17 ARG CB C 17 29.800 29.859 -0.059 1
1 197 . 9 1 1 A 17 17 ARG N N 17 124.000 123.243 0.757 1
1 198 . 9 1 1 A 18 18 GLN H H 18 7.740 7.721 0.019 1
1 199 . 9 1 1 A 18 18 GLN HA H 18 4.190 4.237 -0.047 1
1 206 . 9 1 1 A 18 18 GLN CA C 18 59.300 57.424 1.876 1
1 207 . 9 1 1 A 18 18 GLN CB C 18 27.900 29.000 -1.100 1
1 209 . 9 1 1 A 18 18 GLN N N 18 118.000 116.648 1.352 1
1 211 . 9 1 1 A 19 19 LEU H H 19 7.770 7.933 -0.163 1
1 212 . 9 1 1 A 19 19 LEU HA H 19 4.400 4.706 -0.306 1
1 222 . 9 1 1 A 19 19 LEU CA C 19 58.000 54.088 3.912 1
1 223 . 9 1 1 A 19 19 LEU CB C 19 42.800 42.992 -0.192 1
1 227 . 9 1 1 A 19 19 LEU N N 19 120.500 121.593 -1.093 1
1 228 . 9 1 1 A 20 20 PHE H H 20 8.710 8.642 0.068 1
1 229 . 9 1 1 A 20 20 PHE HA H 20 3.330 4.115 -0.785 1
1 237 . 9 1 1 A 20 20 PHE CA C 20 62.400 61.056 1.344 1
1 238 . 9 1 1 A 20 20 PHE CB C 20 38.500 39.212 -0.712 1
1 242 . 9 1 1 A 20 20 PHE N N 20 121.900 123.597 -1.697 1
1 243 . 9 1 1 A 21 21 ASN H H 21 8.770 8.980 -0.210 1
1 244 . 9 1 1 A 21 21 ASN HA H 21 4.380 4.547 -0.167 1
1 249 . 9 1 1 A 21 21 ASN CA C 21 55.400 56.535 -1.135 1
1 250 . 9 1 1 A 21 21 ASN CB C 21 37.600 39.414 -1.814 1
1 251 . 9 1 1 A 21 21 ASN N N 21 117.300 118.024 -0.724 1
1 253 . 9 1 1 A 22 22 SER H H 22 7.900 9.075 -1.175 1
1 254 . 9 1 1 A 22 22 SER HA H 22 4.180 4.287 -0.107 1
1 257 . 9 1 1 A 22 22 SER CA C 22 60.700 60.489 0.211 1
1 258 . 9 1 1 A 22 22 SER CB C 22 62.900 62.855 0.045 1
1 259 . 9 1 1 A 22 22 SER N N 22 114.800 113.761 1.039 1
1 260 . 9 1 1 A 23 23 HIS H H 23 7.310 8.801 -1.491 1
1 261 . 9 1 1 A 23 23 HIS HA H 23 4.480 4.740 -0.260 1
1 266 . 9 1 1 A 23 23 HIS CA C 23 58.000 55.043 2.957 1
1 267 . 9 1 1 A 23 23 HIS CB C 23 32.400 29.955 2.445 1
1 270 . 9 1 1 A 23 23 HIS N N 23 118.900 116.918 1.982 1
1 271 . 9 1 1 A 24 24 ASP H H 24 7.870 7.734 0.136 1
1 272 . 9 1 1 A 24 24 ASP HA H 24 4.850 5.032 -0.182 1
1 275 . 9 1 1 A 24 24 ASP CA C 24 52.100 52.843 -0.743 1
1 276 . 9 1 1 A 24 24 ASP CB C 24 38.500 43.976 -5.476 1
1 277 . 9 1 1 A 24 24 ASP N N 24 122.400 120.240 2.160 1
1 278 . 9 1 1 A 25 25 LYS H H 25 7.900 8.296 -0.396 1
1 279 . 9 1 1 A 25 25 LYS HA H 25 4.070 4.681 -0.611 1
1 288 . 9 1 1 A 25 25 LYS CA C 25 58.600 55.365 3.235 1
1 289 . 9 1 1 A 25 25 LYS CB C 25 32.600 31.454 1.146 1
1 293 . 9 1 1 A 25 25 LYS N N 25 122.400 122.662 -0.262 1
1 294 . 9 1 1 A 26 26 THR H H 26 8.120 8.107 0.013 1
1 295 . 9 1 1 A 26 26 THR HA H 26 4.340 4.261 0.079 1
1 300 . 9 1 1 A 26 26 THR CA C 26 61.000 63.277 -2.277 1
1 301 . 9 1 1 A 26 26 THR CB C 26 69.100 66.574 2.526 1
1 303 . 9 1 1 A 26 26 THR N N 26 106.400 112.454 -6.054 1
1 304 . 9 1 1 A 27 27 MET H H 27 8.030 7.780 0.250 1
1 305 . 9 1 1 A 27 27 MET HA H 27 3.980 4.753 -0.773 1
1 310 . 9 1 1 A 27 27 MET CA C 27 56.600 54.523 2.077 1
1 311 . 9 1 1 A 27 27 MET CB C 27 29.100 34.056 -4.956 1
1 313 . 9 1 1 A 27 27 MET N N 27 119.600 121.066 -1.466 1
1 314 . 9 1 1 A 28 28 SER H H 28 9.520 8.002 1.518 1
1 315 . 9 1 1 A 28 28 SER HA H 28 4.250 4.323 -0.073 1
1 318 . 9 1 1 A 28 28 SER CA C 28 60.500 59.672 0.828 1
1 319 . 9 1 1 A 28 28 SER CB C 28 64.400 63.760 0.640 1
1 320 . 9 1 1 A 28 28 SER N N 28 118.600 115.916 2.684 1
1 321 . 9 1 1 A 29 29 GLY H H 29 10.710 8.978 1.732 1
1 322 . 9 1 1 A 29 29 GLY HA2 H 29 4.380 4.043 0.337 1
1 323 . 9 1 1 A 29 29 GLY HA3 H 29 3.690 4.055 -0.365 1
1 324 . 9 1 1 A 29 29 GLY CA C 29 45.200 45.934 -0.734 1
1 325 . 9 1 1 A 29 29 GLY N N 29 113.800 109.977 3.823 1
1 326 . 9 1 1 A 30 30 HIS H H 30 7.870 7.655 0.215 1
1 327 . 9 1 1 A 30 30 HIS HA H 30 5.520 5.518 0.002 1
1 332 . 9 1 1 A 30 30 HIS CA C 30 55.800 54.297 1.503 1
1 333 . 9 1 1 A 30 30 HIS CB C 30 32.800 32.518 0.282 1
1 336 . 9 1 1 A 30 30 HIS N N 30 115.700 114.520 1.180 1
1 337 . 9 1 1 A 31 31 LEU H H 31 9.140 9.791 -0.651 1
1 338 . 9 1 1 A 31 31 LEU HA H 31 4.840 4.724 0.116 1
1 348 . 9 1 1 A 31 31 LEU CA C 31 52.900 53.666 -0.766 1
1 349 . 9 1 1 A 31 31 LEU CB C 31 44.200 42.988 1.212 1
1 353 . 9 1 1 A 31 31 LEU N N 31 117.200 121.321 -4.121 1
1 354 . 9 1 1 A 32 32 THR H H 32 8.680 8.901 -0.221 1
1 355 . 9 1 1 A 32 32 THR HA H 32 4.340 4.792 -0.452 1
1 360 . 9 1 1 A 32 32 THR CA C 32 61.500 60.521 0.979 1
1 361 . 9 1 1 A 32 32 THR CB C 32 70.200 71.498 -1.298 1
1 363 . 9 1 1 A 32 32 THR N N 32 113.400 114.427 -1.027 1
1 364 . 9 1 1 A 33 33 GLY H H 33 9.090 8.921 0.169 1
1 365 . 9 1 1 A 33 33 GLY HA2 H 33 3.970 3.841 0.129 1
1 366 . 9 1 1 A 33 33 GLY HA3 H 33 4.070 4.056 0.014 1
1 367 . 9 1 1 A 33 33 GLY CA C 33 49.300 48.329 0.971 1
1 368 . 9 1 1 A 33 33 GLY N N 33 108.000 109.523 -1.523 1
1 369 . 9 1 1 A 34 34 PRO HA H 34 4.110 4.196 -0.086 1
1 376 . 9 1 1 A 34 34 PRO CA C 34 65.400 65.600 -0.200 1
1 377 . 9 1 1 A 34 34 PRO CB C 34 32.200 30.866 1.334 1
1 380 . 9 1 1 A 35 35 GLN H H 35 7.240 8.180 -0.940 1
1 381 . 9 1 1 A 35 35 GLN HA H 35 4.040 3.993 0.047 1
1 388 . 9 1 1 A 35 35 GLN CA C 35 58.200 59.242 -1.042 1
1 389 . 9 1 1 A 35 35 GLN CB C 35 29.800 28.363 1.437 1
1 391 . 9 1 1 A 35 35 GLN N N 35 116.700 117.342 -0.642 1
1 393 . 9 1 1 A 36 36 ALA H H 36 9.180 8.401 0.779 1
1 394 . 9 1 1 A 36 36 ALA HA H 36 4.080 4.263 -0.183 1
1 398 . 9 1 1 A 36 36 ALA CA C 36 54.900 55.499 -0.599 1
1 399 . 9 1 1 A 36 36 ALA CB C 36 18.900 18.655 0.245 1
1 400 . 9 1 1 A 36 36 ALA N N 36 120.000 122.269 -2.269 1
1 401 . 9 1 1 A 37 37 ARG H H 37 9.060 8.811 0.249 1
1 402 . 9 1 1 A 37 37 ARG HA H 37 3.860 4.028 -0.168 1
1 409 . 9 1 1 A 37 37 ARG CA C 37 61.000 59.644 1.356 1
1 410 . 9 1 1 A 37 37 ARG CB C 37 29.900 29.953 -0.053 1
1 413 . 9 1 1 A 37 37 ARG N N 37 117.200 117.422 -0.222 1
1 414 . 9 1 1 A 38 38 THR H H 38 7.620 8.145 -0.525 1
1 415 . 9 1 1 A 38 38 THR HA H 38 3.920 4.024 -0.104 1
1 420 . 9 1 1 A 38 38 THR CA C 38 66.900 67.023 -0.123 1
1 421 . 9 1 1 A 38 38 THR CB C 38 68.800 67.912 0.888 1
1 423 . 9 1 1 A 38 38 THR N N 38 114.600 118.455 -3.855 1
1 424 . 9 1 1 A 39 39 ILE H H 39 7.180 7.442 -0.262 1
1 425 . 9 1 1 A 39 39 ILE HA H 39 3.730 3.800 -0.070 1
1 435 . 9 1 1 A 39 39 ILE CA C 39 64.900 64.210 0.690 1
1 436 . 9 1 1 A 39 39 ILE CB C 39 39.000 37.409 1.591 1
1 440 . 9 1 1 A 39 39 ILE N N 39 121.500 121.629 -0.129 1
1 441 . 9 1 1 A 40 40 LEU H H 40 8.480 8.382 0.098 1
1 442 . 9 1 1 A 40 40 LEU HA H 40 3.870 3.897 -0.027 1
1 452 . 9 1 1 A 40 40 LEU CA C 40 58.500 57.904 0.596 1
1 453 . 9 1 1 A 40 40 LEU CB C 40 40.800 41.600 -0.800 1
1 457 . 9 1 1 A 40 40 LEU N N 40 119.900 120.224 -0.324 1
1 458 . 9 1 1 A 41 41 MET H H 41 8.160 8.263 -0.103 1
1 459 . 9 1 1 A 41 41 MET HA H 41 4.200 4.272 -0.072 1
1 464 . 9 1 1 A 41 41 MET CA C 41 57.700 57.549 0.151 1
1 465 . 9 1 1 A 41 41 MET CB C 41 32.500 32.222 0.278 1
1 467 . 9 1 1 A 41 41 MET N N 41 115.300 117.435 -2.135 1
1 468 . 9 1 1 A 42 42 GLN H H 42 7.600 7.851 -0.251 1
1 469 . 9 1 1 A 42 42 GLN HA H 42 4.230 4.189 0.041 1
1 476 . 9 1 1 A 42 42 GLN CA C 42 57.200 58.226 -1.026 1
1 477 . 9 1 1 A 42 42 GLN CB C 42 27.900 28.429 -0.529 1
1 479 . 9 1 1 A 42 42 GLN N N 42 118.900 119.427 -0.527 1
1 481 . 9 1 1 A 43 43 SER H H 43 7.670 7.401 0.269 1
1 482 . 9 1 1 A 43 43 SER HA H 43 4.300 4.488 -0.188 1
1 485 . 9 1 1 A 43 43 SER CA C 43 59.800 58.559 1.241 1
1 486 . 9 1 1 A 43 43 SER CB C 43 65.200 63.543 1.657 1
1 487 . 9 1 1 A 43 43 SER N N 43 113.900 113.422 0.478 1
1 488 . 9 1 1 A 44 44 SER H H 44 8.040 8.185 -0.145 1
1 489 . 9 1 1 A 44 44 SER HA H 44 4.300 4.165 0.135 1
1 492 . 9 1 1 A 44 44 SER CA C 44 59.400 59.781 -0.381 1
1 493 . 9 1 1 A 44 44 SER CB C 44 62.500 61.222 1.278 1
1 494 . 9 1 1 A 44 44 SER N N 44 113.500 114.540 -1.040 1
1 495 . 9 1 1 A 45 45 LEU H H 45 7.430 7.800 -0.370 1
1 496 . 9 1 1 A 45 45 LEU HA H 45 4.470 4.382 0.088 1
1 506 . 9 1 1 A 45 45 LEU CA C 45 53.300 53.230 0.070 1
1 507 . 9 1 1 A 45 45 LEU CB C 45 41.700 41.187 0.513 1
1 511 . 9 1 1 A 45 45 LEU N N 45 121.900 122.094 -0.194 1
1 512 . 9 1 1 A 46 46 PRO HA H 46 4.460 4.493 -0.033 1
1 519 . 9 1 1 A 46 46 PRO CA C 46 62.500 63.352 -0.852 1
1 520 . 9 1 1 A 46 46 PRO CB C 46 32.500 32.532 -0.032 1
1 523 . 9 1 1 A 47 47 GLN H H 47 8.820 8.571 0.249 1
1 524 . 9 1 1 A 47 47 GLN HA H 47 3.870 3.969 -0.099 1
1 531 . 9 1 1 A 47 47 GLN CA C 47 59.600 57.912 1.688 1
1 532 . 9 1 1 A 47 47 GLN CB C 47 28.100 28.152 -0.052 1
1 534 . 9 1 1 A 47 47 GLN N N 47 123.400 122.457 0.943 1
1 536 . 9 1 1 A 48 48 ALA H H 48 9.000 8.272 0.728 1
1 537 . 9 1 1 A 48 48 ALA HA H 48 4.150 4.031 0.119 1
1 541 . 9 1 1 A 48 48 ALA CA C 48 55.200 55.180 0.020 1
1 542 . 9 1 1 A 48 48 ALA CB C 48 18.200 18.141 0.059 1
1 543 . 9 1 1 A 48 48 ALA N N 48 119.800 123.896 -4.096 1
1 544 . 9 1 1 A 49 49 GLN H H 49 7.190 7.818 -0.628 1
1 545 . 9 1 1 A 49 49 GLN HA H 49 4.230 4.063 0.167 1
1 552 . 9 1 1 A 49 49 GLN CA C 49 58.600 58.644 -0.044 1
1 553 . 9 1 1 A 49 49 GLN CB C 49 29.400 28.336 1.064 1
1 555 . 9 1 1 A 49 49 GLN N N 49 115.800 117.980 -2.180 1
1 557 . 9 1 1 A 50 50 LEU H H 50 7.800 7.914 -0.114 1
1 558 . 9 1 1 A 50 50 LEU HA H 50 3.930 4.015 -0.085 1
1 568 . 9 1 1 A 50 50 LEU CA C 50 57.900 57.969 -0.069 1
1 569 . 9 1 1 A 50 50 LEU CB C 50 41.100 41.603 -0.503 1
1 573 . 9 1 1 A 50 50 LEU N N 50 119.800 120.768 -0.968 1
1 574 . 9 1 1 A 51 51 ALA H H 51 8.410 8.377 0.033 1
1 575 . 9 1 1 A 51 51 ALA HA H 51 4.210 4.094 0.116 1
1 579 . 9 1 1 A 51 51 ALA CA C 51 55.100 55.338 -0.238 1
1 580 . 9 1 1 A 51 51 ALA CB C 51 17.500 17.945 -0.445 1
1 581 . 9 1 1 A 51 51 ALA N N 51 122.600 122.634 -0.034 1
1 582 . 9 1 1 A 52 52 SER H H 52 7.530 7.895 -0.365 1
1 583 . 9 1 1 A 52 52 SER HA H 52 4.310 4.131 0.179 1
1 586 . 9 1 1 A 52 52 SER CA C 52 62.200 62.352 -0.152 1
1 587 . 9 1 1 A 52 52 SER CB C 52 62.600 63.233 -0.633 1
1 588 . 9 1 1 A 52 52 SER N N 52 115.300 113.590 1.710 1
1 589 . 9 1 1 A 53 53 ILE H H 53 8.270 8.310 -0.040 1
1 590 . 9 1 1 A 53 53 ILE HA H 53 3.430 3.669 -0.239 1
1 600 . 9 1 1 A 53 53 ILE CA C 53 66.300 65.086 1.214 1
1 601 . 9 1 1 A 53 53 ILE CB C 53 37.900 37.687 0.213 1
1 605 . 9 1 1 A 53 53 ILE N N 53 122.000 120.807 1.193 1
1 606 . 9 1 1 A 54 54 TRP H H 54 8.480 8.305 0.175 1
1 607 . 9 1 1 A 54 54 TRP HA H 54 3.720 4.119 -0.399 1
1 616 . 9 1 1 A 54 54 TRP CA C 54 61.400 60.865 0.535 1
1 617 . 9 1 1 A 54 54 TRP CB C 54 28.100 29.324 -1.224 1
1 623 . 9 1 1 A 54 54 TRP N N 54 122.100 121.747 0.353 1
1 625 . 9 1 1 A 55 55 ASN H H 55 7.860 8.720 -0.860 1
1 626 . 9 1 1 A 55 55 ASN HA H 55 4.350 4.504 -0.154 1
1 631 . 9 1 1 A 55 55 ASN CA C 55 55.900 56.310 -0.410 1
1 632 . 9 1 1 A 55 55 ASN CB C 55 38.500 39.909 -1.409 1
1 633 . 9 1 1 A 55 55 ASN N N 55 113.900 118.140 -4.240 1
1 635 . 9 1 1 A 56 56 LEU H H 56 8.020 8.294 -0.274 1
1 636 . 9 1 1 A 56 56 LEU HA H 56 3.990 4.076 -0.086 1
1 646 . 9 1 1 A 56 56 LEU CA C 56 56.700 57.815 -1.115 1
1 647 . 9 1 1 A 56 56 LEU CB C 56 43.900 41.412 2.488 1
1 651 . 9 1 1 A 56 56 LEU N N 56 117.500 119.369 -1.869 1
1 652 . 9 1 1 A 57 57 SER H H 57 7.280 7.267 0.013 1
1 653 . 9 1 1 A 57 57 SER HA H 57 4.290 4.439 -0.149 1
1 656 . 9 1 1 A 57 57 SER CA C 57 61.100 59.107 1.993 1
1 657 . 9 1 1 A 57 57 SER CB C 57 64.000 64.114 -0.114 1
1 658 . 9 1 1 A 57 57 SER N N 57 111.100 112.188 -1.088 1
1 659 . 9 1 1 A 58 58 ASP H H 58 7.030 7.695 -0.665 1
1 660 . 9 1 1 A 58 58 ASP HA H 58 4.650 4.173 0.477 1
1 663 . 9 1 1 A 58 58 ASP CA C 58 51.400 54.374 -2.974 1
1 664 . 9 1 1 A 58 58 ASP CB C 58 37.200 41.906 -4.706 1
1 665 . 9 1 1 A 58 58 ASP N N 58 115.600 120.334 -4.734 1
1 666 . 9 1 1 A 59 59 ILE H H 59 8.630 8.875 -0.245 1
1 667 . 9 1 1 A 59 59 ILE HA H 59 3.260 4.070 -0.810 1
1 677 . 9 1 1 A 59 59 ILE CA C 59 62.900 63.221 -0.321 1
1 678 . 9 1 1 A 59 59 ILE CB C 59 36.600 38.311 -1.711 1
1 682 . 9 1 1 A 59 59 ILE N N 59 128.500 126.504 1.996 1
1 683 . 9 1 1 A 60 60 ASP H H 60 7.960 7.878 0.082 1
1 684 . 9 1 1 A 60 60 ASP HA H 60 4.480 4.887 -0.407 1
1 687 . 9 1 1 A 60 60 ASP CA C 60 52.300 53.183 -0.883 1
1 688 . 9 1 1 A 60 60 ASP CB C 60 39.100 41.475 -2.375 1
1 689 . 9 1 1 A 60 60 ASP N N 60 113.200 119.059 -5.859 1
1 690 . 9 1 1 A 61 61 GLN H H 61 7.550 7.927 -0.377 1
1 691 . 9 1 1 A 61 61 GLN HA H 61 3.800 4.168 -0.368 1
1 698 . 9 1 1 A 61 61 GLN CA C 61 57.100 57.892 -0.792 1
1 699 . 9 1 1 A 61 61 GLN CB C 61 26.400 29.375 -2.975 1
1 701 . 9 1 1 A 61 61 GLN N N 61 113.800 121.116 -7.316 1
1 703 . 9 1 1 A 62 62 ASP H H 62 8.390 9.008 -0.618 1
1 704 . 9 1 1 A 62 62 ASP HA H 62 4.720 4.803 -0.083 1
1 707 . 9 1 1 A 62 62 ASP CA C 62 52.800 55.890 -3.090 1
1 708 . 9 1 1 A 62 62 ASP CB C 62 41.000 40.730 0.270 1
1 709 . 9 1 1 A 62 62 ASP N N 62 117.700 119.551 -1.851 1
1 710 . 9 1 1 A 63 63 GLY H H 63 10.840 8.615 2.225 1
1 711 . 9 1 1 A 63 63 GLY HA2 H 63 4.310 4.170 0.140 1
1 712 . 9 1 1 A 63 63 GLY HA3 H 63 3.880 4.316 -0.436 1
1 713 . 9 1 1 A 63 63 GLY CA C 63 46.200 45.927 0.273 1
1 714 . 9 1 1 A 63 63 GLY N N 63 114.200 106.179 8.021 1
1 715 . 9 1 1 A 64 64 LYS H H 64 8.070 7.818 0.252 1
1 716 . 9 1 1 A 64 64 LYS HA H 64 5.030 5.360 -0.330 1
1 725 . 9 1 1 A 64 64 LYS CA C 64 54.200 54.720 -0.520 1
1 726 . 9 1 1 A 64 64 LYS CB C 64 36.100 37.074 -0.974 1
1 730 . 9 1 1 A 64 64 LYS N N 64 117.400 119.968 -2.568 1
1 731 . 9 1 1 A 65 65 LEU H H 65 8.990 9.042 -0.052 1
1 732 . 9 1 1 A 65 65 LEU HA H 65 5.750 4.854 0.896 1
1 742 . 9 1 1 A 65 65 LEU CA C 65 52.900 54.041 -1.141 1
1 743 . 9 1 1 A 65 65 LEU CB C 65 43.600 44.736 -1.136 1
1 747 . 9 1 1 A 65 65 LEU N N 65 120.700 121.944 -1.244 1
1 748 . 9 1 1 A 66 66 THR H H 66 10.210 9.295 0.915 1
1 749 . 9 1 1 A 66 66 THR HA H 66 4.910 4.897 0.013 1
1 754 . 9 1 1 A 66 66 THR CA C 66 60.900 60.984 -0.084 1
1 755 . 9 1 1 A 66 66 THR CB C 66 71.200 71.086 0.114 1
1 757 . 9 1 1 A 66 66 THR N N 66 116.300 117.874 -1.574 1
1 758 . 9 1 1 A 67 67 ALA H H 67 8.350 8.751 -0.401 1
1 759 . 9 1 1 A 67 67 ALA HA H 67 2.620 3.461 -0.841 1
1 763 . 9 1 1 A 67 67 ALA CA C 67 56.200 55.210 0.990 1
1 764 . 9 1 1 A 67 67 ALA CB C 67 18.000 17.677 0.323 1
1 765 . 9 1 1 A 67 67 ALA N N 67 122.000 123.740 -1.740 1
1 766 . 9 1 1 A 68 68 GLU H H 68 8.160 8.116 0.044 1
1 767 . 9 1 1 A 68 68 GLU HA H 68 4.180 4.339 -0.159 1
1 772 . 9 1 1 A 68 68 GLU CA C 68 60.500 59.587 0.913 1
1 773 . 9 1 1 A 68 68 GLU CB C 68 30.500 29.263 1.237 1
1 775 . 9 1 1 A 68 68 GLU N N 68 112.200 117.864 -5.664 1
1 776 . 9 1 1 A 69 69 GLU H H 69 7.280 7.760 -0.480 1
1 777 . 9 1 1 A 69 69 GLU HA H 69 4.030 3.887 0.143 1
1 782 . 9 1 1 A 69 69 GLU CA C 69 60.100 58.755 1.345 1
1 783 . 9 1 1 A 69 69 GLU CB C 69 31.800 29.584 2.216 1
1 785 . 9 1 1 A 69 69 GLU N N 69 117.400 119.645 -2.245 1
1 786 . 9 1 1 A 70 70 PHE H H 70 8.940 8.559 0.381 1
1 787 . 9 1 1 A 70 70 PHE HA H 70 4.130 4.067 0.063 1
1 795 . 9 1 1 A 70 70 PHE CA C 70 61.900 61.498 0.402 1
1 796 . 9 1 1 A 70 70 PHE CB C 70 39.900 39.231 0.669 1
1 800 . 9 1 1 A 70 70 PHE N N 70 119.000 121.936 -2.936 1
1 801 . 9 1 1 A 71 71 ILE H H 71 8.890 8.418 0.472 1
1 802 . 9 1 1 A 71 71 ILE HA H 71 3.380 3.451 -0.071 1
1 812 . 9 1 1 A 71 71 ILE CA C 71 65.800 65.456 0.344 1
1 813 . 9 1 1 A 71 71 ILE CB C 71 39.100 37.763 1.337 1
1 817 . 9 1 1 A 71 71 ILE N N 71 119.800 120.735 -0.935 1
1 818 . 9 1 1 A 72 72 LEU H H 72 7.810 7.965 -0.155 1
1 819 . 9 1 1 A 72 72 LEU HA H 72 4.040 4.049 -0.009 1
1 829 . 9 1 1 A 72 72 LEU CA C 72 58.300 57.967 0.333 1
1 830 . 9 1 1 A 72 72 LEU CB C 72 42.600 41.651 0.949 1
1 834 . 9 1 1 A 72 72 LEU N N 72 118.100 121.166 -3.066 1
1 835 . 9 1 1 A 73 73 ALA H H 73 8.340 8.371 -0.031 1
1 836 . 9 1 1 A 73 73 ALA HA H 73 3.820 3.935 -0.115 1
1 840 . 9 1 1 A 73 73 ALA CA C 73 55.600 55.218 0.382 1
1 841 . 9 1 1 A 73 73 ALA CB C 73 17.600 18.117 -0.517 1
1 842 . 9 1 1 A 73 73 ALA N N 73 122.000 120.721 1.279 1
1 843 . 9 1 1 A 74 74 MET H H 74 7.840 7.838 0.002 1
1 844 . 9 1 1 A 74 74 MET HA H 74 3.830 3.940 -0.110 1
1 852 . 9 1 1 A 74 74 MET CA C 74 55.400 57.832 -2.432 1
1 853 . 9 1 1 A 74 74 MET CB C 74 27.800 31.068 -3.268 1
1 856 . 9 1 1 A 74 74 MET N N 74 113.400 116.165 -2.765 1
1 857 . 9 1 1 A 75 75 HIS H H 75 8.340 7.785 0.555 1
1 858 . 9 1 1 A 75 75 HIS HA H 75 4.510 4.245 0.265 1
1 863 . 9 1 1 A 75 75 HIS CA C 75 60.000 59.145 0.855 1
1 864 . 9 1 1 A 75 75 HIS CB C 75 31.400 29.747 1.653 1
1 867 . 9 1 1 A 75 75 HIS N N 75 120.200 121.082 -0.882 1
1 868 . 9 1 1 A 76 76 LEU H H 76 8.750 8.122 0.628 1
1 869 . 9 1 1 A 76 76 LEU HA H 76 3.670 3.691 -0.021 1
1 879 . 9 1 1 A 76 76 LEU CA C 76 57.700 57.523 0.177 1
1 880 . 9 1 1 A 76 76 LEU CB C 76 41.400 41.034 0.366 1
1 884 . 9 1 1 A 76 76 LEU N N 76 118.600 118.972 -0.372 1
1 885 . 9 1 1 A 77 77 ILE H H 77 7.980 7.849 0.131 1
1 886 . 9 1 1 A 77 77 ILE HA H 77 3.470 3.415 0.055 1
1 896 . 9 1 1 A 77 77 ILE CA C 77 66.000 64.855 1.145 1
1 897 . 9 1 1 A 77 77 ILE CB C 77 36.500 37.521 -1.021 1
1 901 . 9 1 1 A 77 77 ILE N N 77 120.900 120.674 0.226 1
1 902 . 9 1 1 A 78 78 ASP H H 78 7.490 7.662 -0.172 1
1 903 . 9 1 1 A 78 78 ASP HA H 78 4.300 4.237 0.063 1
1 906 . 9 1 1 A 78 78 ASP CA C 78 57.900 57.432 0.468 1
1 907 . 9 1 1 A 78 78 ASP CB C 78 39.000 41.649 -2.649 1
1 908 . 9 1 1 A 78 78 ASP N N 78 121.500 120.337 1.163 1
1 909 . 9 1 1 A 79 79 VAL H H 79 8.380 7.627 0.753 1
1 910 . 9 1 1 A 79 79 VAL HA H 79 3.390 3.526 -0.136 1
1 918 . 9 1 1 A 79 79 VAL CA C 79 66.400 66.481 -0.081 1
1 919 . 9 1 1 A 79 79 VAL CB C 79 31.700 31.459 0.241 1
1 922 . 9 1 1 A 79 79 VAL N N 79 122.400 118.696 3.704 1
1 923 . 9 1 1 A 80 80 ALA H H 80 8.730 8.014 0.716 1
1 924 . 9 1 1 A 80 80 ALA HA H 80 4.360 4.119 0.241 1
1 928 . 9 1 1 A 80 80 ALA CA C 80 54.800 55.137 -0.337 1
1 929 . 9 1 1 A 80 80 ALA CB C 80 18.100 18.114 -0.014 1
1 930 . 9 1 1 A 80 80 ALA N N 80 125.200 121.441 3.759 1
1 931 . 9 1 1 A 81 81 MET H H 81 9.360 8.629 0.731 1
1 932 . 9 1 1 A 81 81 MET HA H 81 4.210 4.179 0.031 1
1 940 . 9 1 1 A 81 81 MET CA C 81 57.800 58.119 -0.319 1
1 941 . 9 1 1 A 81 81 MET CB C 81 31.800 32.481 -0.681 1
1 944 . 9 1 1 A 81 81 MET N N 81 119.600 118.656 0.944 1
1 945 . 9 1 1 A 82 82 SER H H 82 7.780 7.409 0.371 1
1 946 . 9 1 1 A 82 82 SER HA H 82 4.510 4.554 -0.044 1
1 949 . 9 1 1 A 82 82 SER CA C 82 59.500 58.191 1.309 1
1 950 . 9 1 1 A 82 82 SER CB C 82 64.000 63.409 0.591 1
1 951 . 9 1 1 A 82 82 SER N N 82 114.000 112.578 1.422 1
1 952 . 9 1 1 A 83 83 GLY H H 83 7.910 8.303 -0.393 1
1 953 . 9 1 1 A 83 83 GLY HA2 H 83 3.700 3.898 -0.198 1
1 954 . 9 1 1 A 83 83 GLY HA3 H 83 4.350 3.900 0.450 1
1 955 . 9 1 1 A 83 83 GLY CA C 83 44.900 45.607 -0.707 1
1 956 . 9 1 1 A 83 83 GLY N N 83 109.400 110.144 -0.744 1
1 957 . 9 1 1 A 84 84 GLN H H 84 7.100 7.507 -0.407 1
1 958 . 9 1 1 A 84 84 GLN HA H 84 4.530 4.681 -0.151 1
1 965 . 9 1 1 A 84 84 GLN CA C 84 53.100 52.684 0.416 1
1 966 . 9 1 1 A 84 84 GLN CB C 84 29.000 29.422 -0.422 1
1 968 . 9 1 1 A 84 84 GLN N N 84 120.700 120.803 -0.103 1
1 970 . 9 1 1 A 85 85 PRO HA H 85 4.360 4.607 -0.247 1
1 977 . 9 1 1 A 85 85 PRO CA C 85 61.800 62.378 -0.578 1
1 978 . 9 1 1 A 85 85 PRO CB C 85 31.800 32.412 -0.612 1
1 981 . 9 1 1 A 86 86 LEU H H 86 8.360 8.324 0.036 1
1 982 . 9 1 1 A 86 86 LEU HA H 86 4.380 4.547 -0.167 1
1 992 . 9 1 1 A 86 86 LEU CA C 86 51.600 52.784 -1.184 1
1 993 . 9 1 1 A 86 86 LEU CB C 86 41.000 41.223 -0.223 1
1 997 . 9 1 1 A 86 86 LEU N N 86 121.700 124.009 -2.309 1
1 998 . 9 1 1 A 87 87 PRO HA H 87 4.740 4.614 0.126 1
1 1005 . 9 1 1 A 87 87 PRO CA C 87 60.800 61.659 -0.859 1
1 1006 . 9 1 1 A 87 87 PRO CB C 87 30.900 32.282 -1.382 1
1 1009 . 9 1 1 A 88 88 PRO HA H 88 4.330 4.400 -0.070 1
1 1016 . 9 1 1 A 88 88 PRO CA C 88 63.900 64.460 -0.560 1
1 1017 . 9 1 1 A 88 88 PRO CB C 88 31.700 32.066 -0.366 1
1 1020 . 9 1 1 A 89 89 VAL H H 89 6.840 7.094 -0.254 1
1 1021 . 9 1 1 A 89 89 VAL HA H 89 4.030 4.663 -0.633 1
1 1029 . 9 1 1 A 89 89 VAL CA C 89 59.300 59.122 0.178 1
1 1030 . 9 1 1 A 89 89 VAL CB C 89 35.500 35.710 -0.210 1
1 1033 . 9 1 1 A 89 89 VAL N N 89 112.700 109.739 2.961 1
1 1034 . 9 1 1 A 90 90 LEU H H 90 8.990 8.879 0.111 1
1 1035 . 9 1 1 A 90 90 LEU HA H 90 4.150 4.851 -0.701 1
1 1045 . 9 1 1 A 90 90 LEU CA C 90 53.500 51.885 1.615 1
1 1046 . 9 1 1 A 90 90 LEU CB C 90 42.200 44.605 -2.405 1
1 1050 . 9 1 1 A 90 90 LEU N N 90 127.800 125.884 1.916 1
1 1051 . 9 1 1 A 91 91 PRO HA H 91 4.830 4.722 0.108 1
1 1058 . 9 1 1 A 91 91 PRO CA C 91 61.100 61.813 -0.713 1
1 1059 . 9 1 1 A 91 91 PRO CB C 91 31.300 32.500 -1.200 1
1 1062 . 9 1 1 A 92 92 PRO HA H 92 4.230 4.231 -0.001 1
1 1069 . 9 1 1 A 92 92 PRO CA C 92 65.100 65.411 -0.311 1
1 1070 . 9 1 1 A 92 92 PRO CB C 92 31.800 32.138 -0.338 1
1 1073 . 9 1 1 A 93 93 GLU H H 93 10.180 8.741 1.439 1
1 1074 . 9 1 1 A 93 93 GLU HA H 93 4.300 4.205 0.095 1
1 1079 . 9 1 1 A 93 93 GLU CA C 93 58.700 58.803 -0.103 1
1 1080 . 9 1 1 A 93 93 GLU CB C 93 27.500 29.250 -1.750 1
1 1082 . 9 1 1 A 93 93 GLU N N 93 116.400 116.927 -0.527 1
1 1083 . 9 1 1 A 94 94 TYR H H 94 8.510 7.769 0.741 1
1 1084 . 9 1 1 A 94 94 TYR HA H 94 4.510 4.729 -0.219 1
1 1091 . 9 1 1 A 94 94 TYR CA C 94 60.100 59.365 0.735 1
1 1092 . 9 1 1 A 94 94 TYR CB C 94 39.600 39.008 0.592 1
1 1095 . 9 1 1 A 94 94 TYR N N 94 119.400 116.110 3.290 1
1 1096 . 9 1 1 A 95 95 ILE H H 95 7.800 7.412 0.388 1
1 1097 . 9 1 1 A 95 95 ILE HA H 95 3.940 4.313 -0.373 1
1 1107 . 9 1 1 A 95 95 ILE CA C 95 60.200 59.517 0.683 1
1 1108 . 9 1 1 A 95 95 ILE CB C 95 37.800 38.169 -0.369 1
1 1112 . 9 1 1 A 95 95 ILE N N 95 124.500 121.533 2.967 1
1 1113 . 9 1 1 A 96 96 PRO HA H 96 2.770 3.617 -0.847 1
1 1120 . 9 1 1 A 96 96 PRO CA C 96 60.700 61.209 -0.509 1
1 1121 . 9 1 1 A 96 96 PRO CB C 96 31.400 31.471 -0.071 1
1 1124 . 9 1 1 A 97 97 PRO HA H 97 3.680 4.030 -0.350 1
1 1131 . 9 1 1 A 97 97 PRO CA C 97 65.900 63.459 2.441 1
1 1132 . 9 1 1 A 97 97 PRO CB C 97 32.100 32.057 0.043 1
1 1135 . 9 1 1 A 98 98 SER H H 98 9.160 8.548 0.612 1
1 1136 . 9 1 1 A 98 98 SER HA H 98 3.980 3.937 0.043 1
1 1139 . 9 1 1 A 98 98 SER CA C 98 60.900 60.848 0.052 1
1 1140 . 9 1 1 A 98 98 SER CB C 98 62.200 60.799 1.401 1
1 1141 . 9 1 1 A 98 98 SER N N 98 112.400 111.657 0.743 1
1 1142 . 9 1 1 A 99 99 PHE H H 99 7.950 8.669 -0.719 1
1 1143 . 9 1 1 A 99 99 PHE HA H 99 4.470 4.371 0.099 1
1 1151 . 9 1 1 A 99 99 PHE CA C 99 58.500 61.593 -3.093 1
1 1152 . 9 1 1 A 99 99 PHE CB C 99 40.100 37.801 2.299 1
1 1156 . 9 1 1 A 99 99 PHE N N 99 118.800 119.119 -0.319 1
1 1157 . 9 1 1 A 100 100 ARG H H 100 7.350 8.253 -0.903 1
1 1158 . 9 1 1 A 100 100 ARG HA H 100 4.270 4.137 0.133 1
1 1165 . 9 1 1 A 100 100 ARG CA C 100 56.600 59.205 -2.605 1
1 1166 . 9 1 1 A 100 100 ARG CB C 100 30.300 30.240 0.060 1
1 1169 . 9 1 1 A 100 100 ARG N N 100 120.200 120.221 -0.021 1
1 1170 . 9 1 1 A 101 101 ARG H H 101 8.180 7.799 0.381 1
1 1171 . 9 1 1 A 101 101 ARG HA H 101 4.270 4.551 -0.281 1
1 1177 . 9 1 1 A 101 101 ARG CA C 101 56.700 56.407 0.293 1
1 1178 . 9 1 1 A 101 101 ARG CB C 101 30.700 32.730 -2.030 1
1 1181 . 9 1 1 A 101 101 ARG N N 101 121.100 114.780 6.320 1
1 1182 . 9 1 1 A 102 102 VAL H H 102 8.160 8.011 0.149 1
1 1183 . 9 1 1 A 102 102 VAL HA H 102 4.080 4.167 -0.087 1
1 1191 . 9 1 1 A 102 102 VAL CA C 102 62.500 62.396 0.104 1
1 1192 . 9 1 1 A 102 102 VAL CB C 102 32.700 30.030 2.670 1
1 1195 . 9 1 1 A 102 102 VAL N N 102 121.500 121.569 -0.069 1
1 1196 . 9 1 1 A 103 103 ARG H H 103 7.920 8.248 -0.328 1
1 1197 . 9 1 1 A 103 103 ARG HA H 103 4.160 4.697 -0.537 1
1 1204 . 9 1 1 A 103 103 ARG CA C 103 57.300 55.519 1.781 1
1 1205 . 9 1 1 A 103 103 ARG CB C 103 31.600 31.699 -0.099 1
1 1208 . 9 1 1 A 103 103 ARG N N 103 129.400 122.448 6.952 1
1 1209 . 9 1 1 A 104 104 LEU H H 104 8.190 7.424 0.766 1
1 1210 . 9 1 1 A 104 104 LEU N N 104 122.800 122.950 -0.150 1
1 1211 . 9 1 1 A 105 105 GLU H H 105 8.220 8.918 -0.698 1
1 8 . 10 1 1 A 2 2 PRO HA H 2 4.430 4.719 -0.289 1
1 15 . 10 1 1 A 2 2 PRO CA C 2 62.800 62.456 0.344 1
1 16 . 10 1 1 A 2 2 PRO CB C 2 31.900 31.227 0.673 1
1 19 . 10 1 1 A 3 3 VAL H H 3 8.130 8.491 -0.361 1
1 20 . 10 1 1 A 3 3 VAL HA H 3 4.030 4.232 -0.202 1
1 28 . 10 1 1 A 3 3 VAL CA C 3 62.200 61.847 0.353 1
1 29 . 10 1 1 A 3 3 VAL CB C 3 32.700 32.260 0.440 1
1 32 . 10 1 1 A 3 3 VAL N N 3 120.100 124.389 -4.289 1
1 33 . 10 1 1 A 4 4 ALA H H 4 8.330 8.789 -0.459 1
1 34 . 10 1 1 A 4 4 ALA HA H 4 4.310 4.756 -0.446 1
1 38 . 10 1 1 A 4 4 ALA CA C 4 52.100 51.299 0.801 1
1 39 . 10 1 1 A 4 4 ALA CB C 4 19.400 20.186 -0.786 1
1 40 . 10 1 1 A 4 4 ALA N N 4 127.300 130.475 -3.175 1
1 41 . 10 1 1 A 5 5 GLU H H 5 8.290 8.827 -0.537 1
1 42 . 10 1 1 A 5 5 GLU HA H 5 4.290 4.471 -0.181 1
1 47 . 10 1 1 A 5 5 GLU CA C 5 56.100 56.132 -0.032 1
1 48 . 10 1 1 A 5 5 GLU CB C 5 30.500 29.180 1.320 1
1 50 . 10 1 1 A 5 5 GLU N N 5 121.000 119.008 1.992 1
1 51 . 10 1 1 A 6 6 TRP H H 6 8.670 7.902 0.768 1
1 52 . 10 1 1 A 6 6 TRP HA H 6 5.020 5.285 -0.265 1
1 61 . 10 1 1 A 6 6 TRP CA C 6 54.500 55.231 -0.731 1
1 62 . 10 1 1 A 6 6 TRP CB C 6 30.100 31.478 -1.378 1
1 68 . 10 1 1 A 6 6 TRP N N 6 124.900 122.772 2.128 1
1 70 . 10 1 1 A 7 7 ALA H H 7 7.850 9.237 -1.387 1
1 71 . 10 1 1 A 7 7 ALA HA H 7 3.790 4.139 -0.349 1
1 75 . 10 1 1 A 7 7 ALA CA C 7 53.200 51.348 1.852 1
1 76 . 10 1 1 A 7 7 ALA CB C 7 18.000 17.014 0.986 1
1 77 . 10 1 1 A 7 7 ALA N N 7 128.000 130.039 -2.039 1
1 78 . 10 1 1 A 8 8 VAL H H 8 5.280 7.558 -2.278 1
1 79 . 10 1 1 A 8 8 VAL HA H 8 2.850 4.095 -1.245 1
1 87 . 10 1 1 A 8 8 VAL CA C 8 59.700 57.407 2.293 1
1 88 . 10 1 1 A 8 8 VAL CB C 8 31.600 34.494 -2.894 1
1 91 . 10 1 1 A 8 8 VAL N N 8 117.000 120.662 -3.662 1
1 92 . 10 1 1 A 9 9 PRO HA H 9 4.340 4.398 -0.058 1
1 99 . 10 1 1 A 9 9 PRO CA C 9 62.800 63.235 -0.435 1
1 100 . 10 1 1 A 9 9 PRO CB C 9 32.400 32.487 -0.087 1
1 103 . 10 1 1 A 10 10 GLN HA H 10 3.710 3.892 -0.182 1
1 110 . 10 1 1 A 10 10 GLN CA C 10 60.100 59.090 1.010 1
1 111 . 10 1 1 A 10 10 GLN CB C 10 28.000 28.360 -0.360 1
1 114 . 10 1 1 A 11 11 SER HA H 11 4.070 4.133 -0.063 1
1 117 . 10 1 1 A 11 11 SER CA C 11 61.400 61.387 0.013 1
1 118 . 10 1 1 A 11 11 SER CB C 11 61.400 62.978 -1.578 1
1 119 . 10 1 1 A 12 12 SER H H 12 7.070 7.585 -0.515 1
1 120 . 10 1 1 A 12 12 SER HA H 12 3.990 4.183 -0.193 1
1 123 . 10 1 1 A 12 12 SER CA C 12 61.500 61.238 0.262 1
1 124 . 10 1 1 A 12 12 SER CB C 12 61.500 62.924 -1.424 1
1 125 . 10 1 1 A 12 12 SER N N 12 119.300 115.648 3.652 1
1 126 . 10 1 1 A 13 13 ARG H H 13 8.000 7.572 0.428 1
1 127 . 10 1 1 A 13 13 ARG HA H 13 3.930 4.104 -0.174 1
1 134 . 10 1 1 A 13 13 ARG CA C 13 59.800 58.944 0.856 1
1 135 . 10 1 1 A 13 13 ARG CB C 13 30.300 29.614 0.686 1
1 138 . 10 1 1 A 13 13 ARG N N 13 121.600 119.507 2.093 1
1 139 . 10 1 1 A 14 14 LEU H H 14 7.710 8.492 -0.782 1
1 140 . 10 1 1 A 14 14 LEU HA H 14 4.120 3.958 0.162 1
1 150 . 10 1 1 A 14 14 LEU CA C 14 57.900 58.020 -0.120 1
1 151 . 10 1 1 A 14 14 LEU CB C 14 41.900 41.485 0.415 1
1 155 . 10 1 1 A 14 14 LEU N N 14 117.100 121.196 -4.096 1
1 156 . 10 1 1 A 15 15 LYS H H 15 7.450 8.229 -0.779 1
1 157 . 10 1 1 A 15 15 LYS HA H 15 4.050 3.956 0.094 1
1 166 . 10 1 1 A 15 15 LYS CA C 15 59.100 59.396 -0.296 1
1 167 . 10 1 1 A 15 15 LYS CB C 15 33.000 32.146 0.854 1
1 171 . 10 1 1 A 15 15 LYS N N 15 118.800 120.643 -1.843 1
1 172 . 10 1 1 A 16 16 TYR H H 16 8.640 7.960 0.680 1
1 173 . 10 1 1 A 16 16 TYR HA H 16 5.130 4.046 1.084 1
1 180 . 10 1 1 A 16 16 TYR CA C 16 58.900 61.068 -2.168 1
1 181 . 10 1 1 A 16 16 TYR CB C 16 37.100 38.520 -1.420 1
1 184 . 10 1 1 A 16 16 TYR N N 16 117.800 120.743 -2.943 1
1 185 . 10 1 1 A 17 17 ARG H H 17 8.470 8.434 0.036 1
1 186 . 10 1 1 A 17 17 ARG HA H 17 4.230 3.977 0.253 1
1 193 . 10 1 1 A 17 17 ARG CA C 17 59.700 58.930 0.770 1
1 194 . 10 1 1 A 17 17 ARG CB C 17 29.800 29.529 0.271 1
1 197 . 10 1 1 A 17 17 ARG N N 17 124.000 118.690 5.310 1
1 198 . 10 1 1 A 18 18 GLN H H 18 7.740 7.475 0.265 1
1 199 . 10 1 1 A 18 18 GLN HA H 18 4.190 4.176 0.014 1
1 206 . 10 1 1 A 18 18 GLN CA C 18 59.300 57.664 1.636 1
1 207 . 10 1 1 A 18 18 GLN CB C 18 27.900 28.890 -0.990 1
1 209 . 10 1 1 A 18 18 GLN N N 18 118.000 116.424 1.576 1
1 211 . 10 1 1 A 19 19 LEU H H 19 7.770 8.064 -0.294 1
1 212 . 10 1 1 A 19 19 LEU HA H 19 4.400 4.470 -0.070 1
1 222 . 10 1 1 A 19 19 LEU CA C 19 58.000 53.659 4.341 1
1 223 . 10 1 1 A 19 19 LEU CB C 19 42.800 42.631 0.169 1
1 227 . 10 1 1 A 19 19 LEU N N 19 120.500 121.006 -0.506 1
1 228 . 10 1 1 A 20 20 PHE H H 20 8.710 6.769 1.941 1
1 229 . 10 1 1 A 20 20 PHE HA H 20 3.330 4.056 -0.726 1
1 237 . 10 1 1 A 20 20 PHE CA C 20 62.400 60.756 1.644 1
1 238 . 10 1 1 A 20 20 PHE CB C 20 38.500 39.066 -0.566 1
1 242 . 10 1 1 A 20 20 PHE N N 20 121.900 123.032 -1.132 1
1 243 . 10 1 1 A 21 21 ASN H H 21 8.770 8.653 0.117 1
1 244 . 10 1 1 A 21 21 ASN HA H 21 4.380 4.366 0.014 1
1 249 . 10 1 1 A 21 21 ASN CA C 21 55.400 56.442 -1.042 1
1 250 . 10 1 1 A 21 21 ASN CB C 21 37.600 39.328 -1.728 1
1 251 . 10 1 1 A 21 21 ASN N N 21 117.300 117.540 -0.240 1
1 253 . 10 1 1 A 22 22 SER H H 22 7.900 8.560 -0.660 1
1 254 . 10 1 1 A 22 22 SER HA H 22 4.180 4.200 -0.020 1
1 257 . 10 1 1 A 22 22 SER CA C 22 60.700 61.496 -0.796 1
1 258 . 10 1 1 A 22 22 SER CB C 22 62.900 63.221 -0.321 1
1 259 . 10 1 1 A 22 22 SER N N 22 114.800 115.809 -1.009 1
1 260 . 10 1 1 A 23 23 HIS H H 23 7.310 8.681 -1.371 1
1 261 . 10 1 1 A 23 23 HIS HA H 23 4.480 4.797 -0.317 1
1 266 . 10 1 1 A 23 23 HIS CA C 23 58.000 55.451 2.549 1
1 267 . 10 1 1 A 23 23 HIS CB C 23 32.400 30.756 1.644 1
1 270 . 10 1 1 A 23 23 HIS N N 23 118.900 115.661 3.239 1
1 271 . 10 1 1 A 24 24 ASP H H 24 7.870 7.379 0.491 1
1 272 . 10 1 1 A 24 24 ASP HA H 24 4.850 4.315 0.535 1
1 275 . 10 1 1 A 24 24 ASP CA C 24 52.100 54.227 -2.127 1
1 276 . 10 1 1 A 24 24 ASP CB C 24 38.500 41.345 -2.845 1
1 277 . 10 1 1 A 24 24 ASP N N 24 122.400 121.322 1.078 1
1 278 . 10 1 1 A 25 25 LYS H H 25 7.900 8.550 -0.650 1
1 279 . 10 1 1 A 25 25 LYS HA H 25 4.070 4.595 -0.525 1
1 288 . 10 1 1 A 25 25 LYS CA C 25 58.600 54.609 3.991 1
1 289 . 10 1 1 A 25 25 LYS CB C 25 32.600 32.336 0.264 1
1 293 . 10 1 1 A 25 25 LYS N N 25 122.400 123.337 -0.937 1
1 294 . 10 1 1 A 26 26 THR H H 26 8.120 8.014 0.106 1
1 295 . 10 1 1 A 26 26 THR HA H 26 4.340 3.967 0.373 1
1 300 . 10 1 1 A 26 26 THR CA C 26 61.000 62.999 -1.999 1
1 301 . 10 1 1 A 26 26 THR CB C 26 69.100 66.593 2.507 1
1 303 . 10 1 1 A 26 26 THR N N 26 106.400 111.610 -5.210 1
1 304 . 10 1 1 A 27 27 MET H H 27 8.030 7.340 0.690 1
1 305 . 10 1 1 A 27 27 MET HA H 27 3.980 4.625 -0.645 1
1 310 . 10 1 1 A 27 27 MET CA C 27 56.600 54.601 1.999 1
1 311 . 10 1 1 A 27 27 MET CB C 27 29.100 34.100 -5.000 1
1 313 . 10 1 1 A 27 27 MET N N 27 119.600 123.018 -3.418 1
1 314 . 10 1 1 A 28 28 SER H H 28 9.520 8.615 0.905 1
1 315 . 10 1 1 A 28 28 SER HA H 28 4.250 4.562 -0.312 1
1 318 . 10 1 1 A 28 28 SER CA C 28 60.500 57.948 2.552 1
1 319 . 10 1 1 A 28 28 SER CB C 28 64.400 62.584 1.816 1
1 320 . 10 1 1 A 28 28 SER N N 28 118.600 118.794 -0.194 1
1 321 . 10 1 1 A 29 29 GLY H H 29 10.710 8.556 2.154 1
1 322 . 10 1 1 A 29 29 GLY HA2 H 29 4.380 4.063 0.317 1
1 323 . 10 1 1 A 29 29 GLY HA3 H 29 3.690 4.203 -0.513 1
1 324 . 10 1 1 A 29 29 GLY CA C 29 45.200 45.879 -0.679 1
1 325 . 10 1 1 A 29 29 GLY N N 29 113.800 108.862 4.938 1
1 326 . 10 1 1 A 30 30 HIS H H 30 7.870 7.469 0.401 1
1 327 . 10 1 1 A 30 30 HIS HA H 30 5.520 5.439 0.081 1
1 332 . 10 1 1 A 30 30 HIS CA C 30 55.800 54.412 1.388 1
1 333 . 10 1 1 A 30 30 HIS CB C 30 32.800 32.423 0.377 1
1 336 . 10 1 1 A 30 30 HIS N N 30 115.700 114.552 1.148 1
1 337 . 10 1 1 A 31 31 LEU H H 31 9.140 9.412 -0.272 1
1 338 . 10 1 1 A 31 31 LEU HA H 31 4.840 4.840 0.000 1
1 348 . 10 1 1 A 31 31 LEU CA C 31 52.900 54.073 -1.173 1
1 349 . 10 1 1 A 31 31 LEU CB C 31 44.200 43.081 1.119 1
1 353 . 10 1 1 A 31 31 LEU N N 31 117.200 121.933 -4.733 1
1 354 . 10 1 1 A 32 32 THR H H 32 8.680 8.746 -0.066 1
1 355 . 10 1 1 A 32 32 THR HA H 32 4.340 4.798 -0.458 1
1 360 . 10 1 1 A 32 32 THR CA C 32 61.500 60.502 0.998 1
1 361 . 10 1 1 A 32 32 THR CB C 32 70.200 71.394 -1.194 1
1 363 . 10 1 1 A 32 32 THR N N 32 113.400 113.976 -0.576 1
1 364 . 10 1 1 A 33 33 GLY H H 33 9.090 8.939 0.151 1
1 365 . 10 1 1 A 33 33 GLY HA2 H 33 3.970 3.963 0.007 1
1 366 . 10 1 1 A 33 33 GLY HA3 H 33 4.070 4.182 -0.112 1
1 367 . 10 1 1 A 33 33 GLY CA C 33 49.300 48.409 0.891 1
1 368 . 10 1 1 A 33 33 GLY N N 33 108.000 109.644 -1.644 1
1 369 . 10 1 1 A 34 34 PRO HA H 34 4.110 4.195 -0.085 1
1 376 . 10 1 1 A 34 34 PRO CA C 34 65.400 65.529 -0.129 1
1 377 . 10 1 1 A 34 34 PRO CB C 34 32.200 30.922 1.278 1
1 380 . 10 1 1 A 35 35 GLN H H 35 7.240 8.199 -0.959 1
1 381 . 10 1 1 A 35 35 GLN HA H 35 4.040 4.052 -0.012 1
1 388 . 10 1 1 A 35 35 GLN CA C 35 58.200 59.374 -1.174 1
1 389 . 10 1 1 A 35 35 GLN CB C 35 29.800 28.405 1.395 1
1 391 . 10 1 1 A 35 35 GLN N N 35 116.700 117.411 -0.711 1
1 393 . 10 1 1 A 36 36 ALA H H 36 9.180 8.659 0.521 1
1 394 . 10 1 1 A 36 36 ALA HA H 36 4.080 3.910 0.170 1
1 398 . 10 1 1 A 36 36 ALA CA C 36 54.900 55.369 -0.469 1
1 399 . 10 1 1 A 36 36 ALA CB C 36 18.900 18.410 0.490 1
1 400 . 10 1 1 A 36 36 ALA N N 36 120.000 122.947 -2.947 1
1 401 . 10 1 1 A 37 37 ARG H H 37 9.060 8.357 0.703 1
1 402 . 10 1 1 A 37 37 ARG HA H 37 3.860 3.921 -0.061 1
1 409 . 10 1 1 A 37 37 ARG CA C 37 61.000 59.252 1.748 1
1 410 . 10 1 1 A 37 37 ARG CB C 37 29.900 29.650 0.250 1
1 413 . 10 1 1 A 37 37 ARG N N 37 117.200 117.470 -0.270 1
1 414 . 10 1 1 A 38 38 THR H H 38 7.620 8.281 -0.661 1
1 415 . 10 1 1 A 38 38 THR HA H 38 3.920 3.984 -0.064 1
1 420 . 10 1 1 A 38 38 THR CA C 38 66.900 67.100 -0.200 1
1 421 . 10 1 1 A 38 38 THR CB C 38 68.800 68.936 -0.136 1
1 423 . 10 1 1 A 38 38 THR N N 38 114.600 117.414 -2.814 1
1 424 . 10 1 1 A 39 39 ILE H H 39 7.180 7.651 -0.471 1
1 425 . 10 1 1 A 39 39 ILE HA H 39 3.730 3.775 -0.045 1
1 435 . 10 1 1 A 39 39 ILE CA C 39 64.900 64.233 0.667 1
1 436 . 10 1 1 A 39 39 ILE CB C 39 39.000 37.413 1.587 1
1 440 . 10 1 1 A 39 39 ILE N N 39 121.500 121.319 0.181 1
1 441 . 10 1 1 A 40 40 LEU H H 40 8.480 8.038 0.442 1
1 442 . 10 1 1 A 40 40 LEU HA H 40 3.870 3.939 -0.069 1
1 452 . 10 1 1 A 40 40 LEU CA C 40 58.500 57.905 0.595 1
1 453 . 10 1 1 A 40 40 LEU CB C 40 40.800 41.426 -0.626 1
1 457 . 10 1 1 A 40 40 LEU N N 40 119.900 120.708 -0.808 1
1 458 . 10 1 1 A 41 41 MET H H 41 8.160 8.333 -0.173 1
1 459 . 10 1 1 A 41 41 MET HA H 41 4.200 4.240 -0.040 1
1 464 . 10 1 1 A 41 41 MET CA C 41 57.700 58.003 -0.303 1
1 465 . 10 1 1 A 41 41 MET CB C 41 32.500 31.043 1.457 1
1 467 . 10 1 1 A 41 41 MET N N 41 115.300 116.525 -1.225 1
1 468 . 10 1 1 A 42 42 GLN H H 42 7.600 7.150 0.450 1
1 469 . 10 1 1 A 42 42 GLN HA H 42 4.230 4.247 -0.017 1
1 476 . 10 1 1 A 42 42 GLN CA C 42 57.200 58.105 -0.905 1
1 477 . 10 1 1 A 42 42 GLN CB C 42 27.900 28.448 -0.548 1
1 479 . 10 1 1 A 42 42 GLN N N 42 118.900 118.852 0.048 1
1 481 . 10 1 1 A 43 43 SER H H 43 7.670 7.531 0.139 1
1 482 . 10 1 1 A 43 43 SER HA H 43 4.300 4.461 -0.161 1
1 485 . 10 1 1 A 43 43 SER CA C 43 59.800 60.158 -0.358 1
1 486 . 10 1 1 A 43 43 SER CB C 43 65.200 63.692 1.508 1
1 487 . 10 1 1 A 43 43 SER N N 43 113.900 113.698 0.202 1
1 488 . 10 1 1 A 44 44 SER H H 44 8.040 7.872 0.168 1
1 489 . 10 1 1 A 44 44 SER HA H 44 4.300 4.144 0.156 1
1 492 . 10 1 1 A 44 44 SER CA C 44 59.400 59.547 -0.147 1
1 493 . 10 1 1 A 44 44 SER CB C 44 62.500 61.287 1.213 1
1 494 . 10 1 1 A 44 44 SER N N 44 113.500 115.118 -1.618 1
1 495 . 10 1 1 A 45 45 LEU H H 45 7.430 7.890 -0.460 1
1 496 . 10 1 1 A 45 45 LEU HA H 45 4.470 4.416 0.054 1
1 506 . 10 1 1 A 45 45 LEU CA C 45 53.300 53.236 0.064 1
1 507 . 10 1 1 A 45 45 LEU CB C 45 41.700 40.676 1.024 1
1 511 . 10 1 1 A 45 45 LEU N N 45 121.900 121.491 0.409 1
1 512 . 10 1 1 A 46 46 PRO HA H 46 4.460 4.464 -0.004 1
1 519 . 10 1 1 A 46 46 PRO CA C 46 62.500 63.369 -0.869 1
1 520 . 10 1 1 A 46 46 PRO CB C 46 32.500 31.748 0.752 1
1 523 . 10 1 1 A 47 47 GLN H H 47 8.820 8.596 0.224 1
1 524 . 10 1 1 A 47 47 GLN HA H 47 3.870 3.868 0.002 1
1 531 . 10 1 1 A 47 47 GLN CA C 47 59.600 59.120 0.480 1
1 532 . 10 1 1 A 47 47 GLN CB C 47 28.100 28.429 -0.329 1
1 534 . 10 1 1 A 47 47 GLN N N 47 123.400 122.648 0.752 1
1 536 . 10 1 1 A 48 48 ALA H H 48 9.000 8.259 0.741 1
1 537 . 10 1 1 A 48 48 ALA HA H 48 4.150 4.073 0.077 1
1 541 . 10 1 1 A 48 48 ALA CA C 48 55.200 55.255 -0.055 1
1 542 . 10 1 1 A 48 48 ALA CB C 48 18.200 18.106 0.094 1
1 543 . 10 1 1 A 48 48 ALA N N 48 119.800 122.426 -2.626 1
1 544 . 10 1 1 A 49 49 GLN H H 49 7.190 8.114 -0.924 1
1 545 . 10 1 1 A 49 49 GLN HA H 49 4.230 4.032 0.198 1
1 552 . 10 1 1 A 49 49 GLN CA C 49 58.600 58.866 -0.266 1
1 553 . 10 1 1 A 49 49 GLN CB C 49 29.400 28.303 1.097 1
1 555 . 10 1 1 A 49 49 GLN N N 49 115.800 117.958 -2.158 1
1 557 . 10 1 1 A 50 50 LEU H H 50 7.800 8.367 -0.567 1
1 558 . 10 1 1 A 50 50 LEU HA H 50 3.930 4.069 -0.139 1
1 568 . 10 1 1 A 50 50 LEU CA C 50 57.900 57.962 -0.062 1
1 569 . 10 1 1 A 50 50 LEU CB C 50 41.100 41.429 -0.329 1
1 573 . 10 1 1 A 50 50 LEU N N 50 119.800 119.833 -0.033 1
1 574 . 10 1 1 A 51 51 ALA H H 51 8.410 8.596 -0.186 1
1 575 . 10 1 1 A 51 51 ALA HA H 51 4.210 4.128 0.082 1
1 579 . 10 1 1 A 51 51 ALA CA C 51 55.100 55.283 -0.183 1
1 580 . 10 1 1 A 51 51 ALA CB C 51 17.500 17.982 -0.482 1
1 581 . 10 1 1 A 51 51 ALA N N 51 122.600 122.799 -0.199 1
1 582 . 10 1 1 A 52 52 SER H H 52 7.530 7.496 0.034 1
1 583 . 10 1 1 A 52 52 SER HA H 52 4.310 4.255 0.055 1
1 586 . 10 1 1 A 52 52 SER CA C 52 62.200 61.596 0.604 1
1 587 . 10 1 1 A 52 52 SER CB C 52 62.600 62.985 -0.385 1
1 588 . 10 1 1 A 52 52 SER N N 52 115.300 113.366 1.934 1
1 589 . 10 1 1 A 53 53 ILE H H 53 8.270 8.079 0.191 1
1 590 . 10 1 1 A 53 53 ILE HA H 53 3.430 3.685 -0.255 1
1 600 . 10 1 1 A 53 53 ILE CA C 53 66.300 65.123 1.177 1
1 601 . 10 1 1 A 53 53 ILE CB C 53 37.900 37.651 0.249 1
1 605 . 10 1 1 A 53 53 ILE N N 53 122.000 121.446 0.554 1
1 606 . 10 1 1 A 54 54 TRP H H 54 8.480 8.453 0.027 1
1 607 . 10 1 1 A 54 54 TRP HA H 54 3.720 4.067 -0.347 1
1 616 . 10 1 1 A 54 54 TRP CA C 54 61.400 60.764 0.636 1
1 617 . 10 1 1 A 54 54 TRP CB C 54 28.100 29.321 -1.221 1
1 623 . 10 1 1 A 54 54 TRP N N 54 122.100 121.747 0.353 1
1 625 . 10 1 1 A 55 55 ASN H H 55 7.860 8.266 -0.406 1
1 626 . 10 1 1 A 55 55 ASN HA H 55 4.350 4.439 -0.089 1
1 631 . 10 1 1 A 55 55 ASN CA C 55 55.900 56.597 -0.697 1
1 632 . 10 1 1 A 55 55 ASN CB C 55 38.500 40.293 -1.793 1
1 633 . 10 1 1 A 55 55 ASN N N 55 113.900 117.903 -4.003 1
1 635 . 10 1 1 A 56 56 LEU H H 56 8.020 8.387 -0.367 1
1 636 . 10 1 1 A 56 56 LEU HA H 56 3.990 4.083 -0.093 1
1 646 . 10 1 1 A 56 56 LEU CA C 56 56.700 57.800 -1.100 1
1 647 . 10 1 1 A 56 56 LEU CB C 56 43.900 41.126 2.774 1
1 651 . 10 1 1 A 56 56 LEU N N 56 117.500 119.837 -2.337 1
1 652 . 10 1 1 A 57 57 SER H H 57 7.280 7.978 -0.698 1
1 653 . 10 1 1 A 57 57 SER HA H 57 4.290 4.114 0.176 1
1 656 . 10 1 1 A 57 57 SER CA C 57 61.100 61.127 -0.027 1
1 657 . 10 1 1 A 57 57 SER CB C 57 64.000 62.725 1.275 1
1 658 . 10 1 1 A 57 57 SER N N 57 111.100 113.666 -2.566 1
1 659 . 10 1 1 A 58 58 ASP H H 58 7.030 7.468 -0.438 1
1 660 . 10 1 1 A 58 58 ASP HA H 58 4.650 4.271 0.379 1
1 663 . 10 1 1 A 58 58 ASP CA C 58 51.400 53.666 -2.266 1
1 664 . 10 1 1 A 58 58 ASP CB C 58 37.200 40.874 -3.674 1
1 665 . 10 1 1 A 58 58 ASP N N 58 115.600 119.925 -4.325 1
1 666 . 10 1 1 A 59 59 ILE H H 59 8.630 8.749 -0.119 1
1 667 . 10 1 1 A 59 59 ILE HA H 59 3.260 3.818 -0.558 1
1 677 . 10 1 1 A 59 59 ILE CA C 59 62.900 63.681 -0.781 1
1 678 . 10 1 1 A 59 59 ILE CB C 59 36.600 37.833 -1.233 1
1 682 . 10 1 1 A 59 59 ILE N N 59 128.500 126.010 2.490 1
1 683 . 10 1 1 A 60 60 ASP H H 60 7.960 7.248 0.712 1
1 684 . 10 1 1 A 60 60 ASP HA H 60 4.480 4.583 -0.103 1
1 687 . 10 1 1 A 60 60 ASP CA C 60 52.300 56.372 -4.072 1
1 688 . 10 1 1 A 60 60 ASP CB C 60 39.100 41.431 -2.331 1
1 689 . 10 1 1 A 60 60 ASP N N 60 113.200 121.010 -7.810 1
1 690 . 10 1 1 A 61 61 GLN H H 61 7.550 8.180 -0.630 1
1 691 . 10 1 1 A 61 61 GLN HA H 61 3.800 4.079 -0.279 1
1 698 . 10 1 1 A 61 61 GLN CA C 61 57.100 56.720 0.380 1
1 699 . 10 1 1 A 61 61 GLN CB C 61 26.400 25.857 0.543 1
1 701 . 10 1 1 A 61 61 GLN N N 61 113.800 116.732 -2.932 1
1 703 . 10 1 1 A 62 62 ASP H H 62 8.390 8.000 0.390 1
1 704 . 10 1 1 A 62 62 ASP HA H 62 4.720 4.750 -0.030 1
1 707 . 10 1 1 A 62 62 ASP CA C 62 52.800 54.325 -1.525 1
1 708 . 10 1 1 A 62 62 ASP CB C 62 41.000 41.506 -0.506 1
1 709 . 10 1 1 A 62 62 ASP N N 62 117.700 118.565 -0.865 1
1 710 . 10 1 1 A 63 63 GLY H H 63 10.840 8.763 2.077 1
1 711 . 10 1 1 A 63 63 GLY HA2 H 63 4.310 4.153 0.157 1
1 712 . 10 1 1 A 63 63 GLY HA3 H 63 3.880 4.312 -0.432 1
1 713 . 10 1 1 A 63 63 GLY CA C 63 46.200 45.659 0.541 1
1 714 . 10 1 1 A 63 63 GLY N N 63 114.200 107.371 6.829 1
1 715 . 10 1 1 A 64 64 LYS H H 64 8.070 7.342 0.728 1
1 716 . 10 1 1 A 64 64 LYS HA H 64 5.030 5.080 -0.050 1
1 725 . 10 1 1 A 64 64 LYS CA C 64 54.200 54.354 -0.154 1
1 726 . 10 1 1 A 64 64 LYS CB C 64 36.100 36.634 -0.534 1
1 730 . 10 1 1 A 64 64 LYS N N 64 117.400 119.487 -2.087 1
1 731 . 10 1 1 A 65 65 LEU H H 65 8.990 8.320 0.670 1
1 732 . 10 1 1 A 65 65 LEU HA H 65 5.750 4.704 1.046 1
1 742 . 10 1 1 A 65 65 LEU CA C 65 52.900 53.568 -0.668 1
1 743 . 10 1 1 A 65 65 LEU CB C 65 43.600 44.916 -1.316 1
1 747 . 10 1 1 A 65 65 LEU N N 65 120.700 121.535 -0.835 1
1 748 . 10 1 1 A 66 66 THR H H 66 10.210 8.960 1.250 1
1 749 . 10 1 1 A 66 66 THR HA H 66 4.910 4.742 0.168 1
1 754 . 10 1 1 A 66 66 THR CA C 66 60.900 61.103 -0.203 1
1 755 . 10 1 1 A 66 66 THR CB C 66 71.200 70.861 0.339 1
1 757 . 10 1 1 A 66 66 THR N N 66 116.300 117.938 -1.638 1
1 758 . 10 1 1 A 67 67 ALA H H 67 8.350 8.911 -0.561 1
1 759 . 10 1 1 A 67 67 ALA HA H 67 2.620 4.465 -1.845 1
1 763 . 10 1 1 A 67 67 ALA CA C 67 56.200 55.473 0.727 1
1 764 . 10 1 1 A 67 67 ALA CB C 67 18.000 17.820 0.180 1
1 765 . 10 1 1 A 67 67 ALA N N 67 122.000 124.103 -2.103 1
1 766 . 10 1 1 A 68 68 GLU H H 68 8.160 8.189 -0.029 1
1 767 . 10 1 1 A 68 68 GLU HA H 68 4.180 4.139 0.041 1
1 772 . 10 1 1 A 68 68 GLU CA C 68 60.500 59.397 1.103 1
1 773 . 10 1 1 A 68 68 GLU CB C 68 30.500 29.197 1.303 1
1 775 . 10 1 1 A 68 68 GLU N N 68 112.200 117.616 -5.416 1
1 776 . 10 1 1 A 69 69 GLU H H 69 7.280 7.165 0.115 1
1 777 . 10 1 1 A 69 69 GLU HA H 69 4.030 3.817 0.213 1
1 782 . 10 1 1 A 69 69 GLU CA C 69 60.100 58.663 1.437 1
1 783 . 10 1 1 A 69 69 GLU CB C 69 31.800 29.280 2.520 1
1 785 . 10 1 1 A 69 69 GLU N N 69 117.400 119.362 -1.962 1
1 786 . 10 1 1 A 70 70 PHE H H 70 8.940 8.144 0.796 1
1 787 . 10 1 1 A 70 70 PHE HA H 70 4.130 3.967 0.163 1
1 795 . 10 1 1 A 70 70 PHE CA C 70 61.900 60.737 1.163 1
1 796 . 10 1 1 A 70 70 PHE CB C 70 39.900 39.166 0.734 1
1 800 . 10 1 1 A 70 70 PHE N N 70 119.000 121.370 -2.370 1
1 801 . 10 1 1 A 71 71 ILE H H 71 8.890 7.887 1.003 1
1 802 . 10 1 1 A 71 71 ILE HA H 71 3.380 3.255 0.125 1
1 812 . 10 1 1 A 71 71 ILE CA C 71 65.800 65.069 0.731 1
1 813 . 10 1 1 A 71 71 ILE CB C 71 39.100 37.645 1.455 1
1 817 . 10 1 1 A 71 71 ILE N N 71 119.800 119.636 0.164 1
1 818 . 10 1 1 A 72 72 LEU H H 72 7.810 8.131 -0.321 1
1 819 . 10 1 1 A 72 72 LEU HA H 72 4.040 4.163 -0.123 1
1 829 . 10 1 1 A 72 72 LEU CA C 72 58.300 58.057 0.243 1
1 830 . 10 1 1 A 72 72 LEU CB C 72 42.600 41.440 1.160 1
1 834 . 10 1 1 A 72 72 LEU N N 72 118.100 121.023 -2.923 1
1 835 . 10 1 1 A 73 73 ALA H H 73 8.340 8.062 0.278 1
1 836 . 10 1 1 A 73 73 ALA HA H 73 3.820 4.075 -0.255 1
1 840 . 10 1 1 A 73 73 ALA CA C 73 55.600 55.481 0.119 1
1 841 . 10 1 1 A 73 73 ALA CB C 73 17.600 18.437 -0.837 1
1 842 . 10 1 1 A 73 73 ALA N N 73 122.000 121.059 0.941 1
1 843 . 10 1 1 A 74 74 MET H H 74 7.840 8.745 -0.905 1
1 844 . 10 1 1 A 74 74 MET HA H 74 3.830 4.255 -0.425 1
1 852 . 10 1 1 A 74 74 MET CA C 74 55.400 59.544 -4.144 1
1 853 . 10 1 1 A 74 74 MET CB C 74 27.800 32.523 -4.723 1
1 856 . 10 1 1 A 74 74 MET N N 74 113.400 116.809 -3.409 1
1 857 . 10 1 1 A 75 75 HIS H H 75 8.340 8.367 -0.027 1
1 858 . 10 1 1 A 75 75 HIS HA H 75 4.510 4.364 0.146 1
1 863 . 10 1 1 A 75 75 HIS CA C 75 60.000 59.921 0.079 1
1 864 . 10 1 1 A 75 75 HIS CB C 75 31.400 30.052 1.348 1
1 867 . 10 1 1 A 75 75 HIS N N 75 120.200 120.338 -0.138 1
1 868 . 10 1 1 A 76 76 LEU H H 76 8.750 8.491 0.259 1
1 869 . 10 1 1 A 76 76 LEU HA H 76 3.670 3.792 -0.122 1
1 879 . 10 1 1 A 76 76 LEU CA C 76 57.700 57.779 -0.079 1
1 880 . 10 1 1 A 76 76 LEU CB C 76 41.400 41.443 -0.043 1
1 884 . 10 1 1 A 76 76 LEU N N 76 118.600 119.415 -0.815 1
1 885 . 10 1 1 A 77 77 ILE H H 77 7.980 8.673 -0.693 1
1 886 . 10 1 1 A 77 77 ILE HA H 77 3.470 3.502 -0.032 1
1 896 . 10 1 1 A 77 77 ILE CA C 77 66.000 64.737 1.263 1
1 897 . 10 1 1 A 77 77 ILE CB C 77 36.500 37.450 -0.950 1
1 901 . 10 1 1 A 77 77 ILE N N 77 120.900 120.097 0.803 1
1 902 . 10 1 1 A 78 78 ASP H H 78 7.490 8.359 -0.869 1
1 903 . 10 1 1 A 78 78 ASP HA H 78 4.300 4.275 0.025 1
1 906 . 10 1 1 A 78 78 ASP CA C 78 57.900 57.594 0.306 1
1 907 . 10 1 1 A 78 78 ASP CB C 78 39.000 41.056 -2.056 1
1 908 . 10 1 1 A 78 78 ASP N N 78 121.500 120.690 0.810 1
1 909 . 10 1 1 A 79 79 VAL H H 79 8.380 7.937 0.443 1
1 910 . 10 1 1 A 79 79 VAL HA H 79 3.390 3.547 -0.157 1
1 918 . 10 1 1 A 79 79 VAL CA C 79 66.400 66.480 -0.080 1
1 919 . 10 1 1 A 79 79 VAL CB C 79 31.700 31.592 0.108 1
1 922 . 10 1 1 A 79 79 VAL N N 79 122.400 118.942 3.458 1
1 923 . 10 1 1 A 80 80 ALA H H 80 8.730 8.457 0.273 1
1 924 . 10 1 1 A 80 80 ALA HA H 80 4.360 3.973 0.387 1
1 928 . 10 1 1 A 80 80 ALA CA C 80 54.800 55.662 -0.862 1
1 929 . 10 1 1 A 80 80 ALA CB C 80 18.100 17.768 0.332 1
1 930 . 10 1 1 A 80 80 ALA N N 80 125.200 121.850 3.350 1
1 931 . 10 1 1 A 81 81 MET H H 81 9.360 8.457 0.903 1
1 932 . 10 1 1 A 81 81 MET HA H 81 4.210 4.115 0.095 1
1 940 . 10 1 1 A 81 81 MET CA C 81 57.800 58.510 -0.710 1
1 941 . 10 1 1 A 81 81 MET CB C 81 31.800 32.163 -0.363 1
1 944 . 10 1 1 A 81 81 MET N N 81 119.600 119.081 0.519 1
1 945 . 10 1 1 A 82 82 SER H H 82 7.780 7.515 0.265 1
1 946 . 10 1 1 A 82 82 SER HA H 82 4.510 4.489 0.021 1
1 949 . 10 1 1 A 82 82 SER CA C 82 59.500 58.484 1.016 1
1 950 . 10 1 1 A 82 82 SER CB C 82 64.000 63.594 0.406 1
1 951 . 10 1 1 A 82 82 SER N N 82 114.000 112.201 1.799 1
1 952 . 10 1 1 A 83 83 GLY H H 83 7.910 8.126 -0.216 1
1 953 . 10 1 1 A 83 83 GLY HA2 H 83 3.700 3.929 -0.229 1
1 954 . 10 1 1 A 83 83 GLY HA3 H 83 4.350 3.930 0.420 1
1 955 . 10 1 1 A 83 83 GLY CA C 83 44.900 45.628 -0.728 1
1 956 . 10 1 1 A 83 83 GLY N N 83 109.400 109.503 -0.103 1
1 957 . 10 1 1 A 84 84 GLN H H 84 7.100 7.846 -0.746 1
1 958 . 10 1 1 A 84 84 GLN HA H 84 4.530 4.739 -0.209 1
1 965 . 10 1 1 A 84 84 GLN CA C 84 53.100 52.535 0.565 1
1 966 . 10 1 1 A 84 84 GLN CB C 84 29.000 29.556 -0.556 1
1 968 . 10 1 1 A 84 84 GLN N N 84 120.700 120.150 0.550 1
1 970 . 10 1 1 A 85 85 PRO HA H 85 4.360 4.560 -0.200 1
1 977 . 10 1 1 A 85 85 PRO CA C 85 61.800 62.556 -0.756 1
1 978 . 10 1 1 A 85 85 PRO CB C 85 31.800 32.269 -0.469 1
1 981 . 10 1 1 A 86 86 LEU H H 86 8.360 8.470 -0.110 1
1 982 . 10 1 1 A 86 86 LEU HA H 86 4.380 4.798 -0.418 1
1 992 . 10 1 1 A 86 86 LEU CA C 86 51.600 52.398 -0.798 1
1 993 . 10 1 1 A 86 86 LEU CB C 86 41.000 42.452 -1.452 1
1 997 . 10 1 1 A 86 86 LEU N N 86 121.700 122.735 -1.035 1
1 998 . 10 1 1 A 87 87 PRO HA H 87 4.740 4.697 0.043 1
1 1005 . 10 1 1 A 87 87 PRO CA C 87 60.800 61.515 -0.715 1
1 1006 . 10 1 1 A 87 87 PRO CB C 87 30.900 32.107 -1.207 1
1 1009 . 10 1 1 A 88 88 PRO HA H 88 4.330 4.404 -0.074 1
1 1016 . 10 1 1 A 88 88 PRO CA C 88 63.900 64.644 -0.744 1
1 1017 . 10 1 1 A 88 88 PRO CB C 88 31.700 32.197 -0.497 1
1 1020 . 10 1 1 A 89 89 VAL H H 89 6.840 7.095 -0.255 1
1 1021 . 10 1 1 A 89 89 VAL HA H 89 4.030 4.665 -0.635 1
1 1029 . 10 1 1 A 89 89 VAL CA C 89 59.300 59.300 0.000 1
1 1030 . 10 1 1 A 89 89 VAL CB C 89 35.500 35.594 -0.094 1
1 1033 . 10 1 1 A 89 89 VAL N N 89 112.700 109.651 3.049 1
1 1034 . 10 1 1 A 90 90 LEU H H 90 8.990 8.586 0.404 1
1 1035 . 10 1 1 A 90 90 LEU HA H 90 4.150 4.811 -0.661 1
1 1045 . 10 1 1 A 90 90 LEU CA C 90 53.500 52.176 1.324 1
1 1046 . 10 1 1 A 90 90 LEU CB C 90 42.200 43.965 -1.765 1
1 1050 . 10 1 1 A 90 90 LEU N N 90 127.800 126.367 1.433 1
1 1051 . 10 1 1 A 91 91 PRO HA H 91 4.830 4.730 0.100 1
1 1058 . 10 1 1 A 91 91 PRO CA C 91 61.100 61.667 -0.567 1
1 1059 . 10 1 1 A 91 91 PRO CB C 91 31.300 32.312 -1.012 1
1 1062 . 10 1 1 A 92 92 PRO HA H 92 4.230 4.185 0.045 1
1 1069 . 10 1 1 A 92 92 PRO CA C 92 65.100 65.587 -0.487 1
1 1070 . 10 1 1 A 92 92 PRO CB C 92 31.800 32.153 -0.353 1
1 1073 . 10 1 1 A 93 93 GLU H H 93 10.180 8.935 1.245 1
1 1074 . 10 1 1 A 93 93 GLU HA H 93 4.300 4.126 0.174 1
1 1079 . 10 1 1 A 93 93 GLU CA C 93 58.700 59.273 -0.573 1
1 1080 . 10 1 1 A 93 93 GLU CB C 93 27.500 28.996 -1.496 1
1 1082 . 10 1 1 A 93 93 GLU N N 93 116.400 117.694 -1.294 1
1 1083 . 10 1 1 A 94 94 TYR H H 94 8.510 7.813 0.697 1
1 1084 . 10 1 1 A 94 94 TYR HA H 94 4.510 4.821 -0.311 1
1 1091 . 10 1 1 A 94 94 TYR CA C 94 60.100 59.086 1.014 1
1 1092 . 10 1 1 A 94 94 TYR CB C 94 39.600 38.684 0.916 1
1 1095 . 10 1 1 A 94 94 TYR N N 94 119.400 115.745 3.655 1
1 1096 . 10 1 1 A 95 95 ILE H H 95 7.800 7.452 0.348 1
1 1097 . 10 1 1 A 95 95 ILE HA H 95 3.940 4.250 -0.310 1
1 1107 . 10 1 1 A 95 95 ILE CA C 95 60.200 58.795 1.405 1
1 1108 . 10 1 1 A 95 95 ILE CB C 95 37.800 37.944 -0.144 1
1 1112 . 10 1 1 A 95 95 ILE N N 95 124.500 122.030 2.470 1
1 1113 . 10 1 1 A 96 96 PRO HA H 96 2.770 2.957 -0.187 1
1 1120 . 10 1 1 A 96 96 PRO CA C 96 60.700 60.985 -0.285 1
1 1121 . 10 1 1 A 96 96 PRO CB C 96 31.400 31.248 0.152 1
1 1124 . 10 1 1 A 97 97 PRO HA H 97 3.680 4.036 -0.356 1
1 1131 . 10 1 1 A 97 97 PRO CA C 97 65.900 63.322 2.578 1
1 1132 . 10 1 1 A 97 97 PRO CB C 97 32.100 32.067 0.033 1
1 1135 . 10 1 1 A 98 98 SER H H 98 9.160 8.523 0.637 1
1 1136 . 10 1 1 A 98 98 SER HA H 98 3.980 3.915 0.065 1
1 1139 . 10 1 1 A 98 98 SER CA C 98 60.900 60.794 0.106 1
1 1140 . 10 1 1 A 98 98 SER CB C 98 62.200 60.738 1.462 1
1 1141 . 10 1 1 A 98 98 SER N N 98 112.400 111.634 0.766 1
1 1142 . 10 1 1 A 99 99 PHE H H 99 7.950 8.439 -0.489 1
1 1143 . 10 1 1 A 99 99 PHE HA H 99 4.470 4.291 0.179 1
1 1151 . 10 1 1 A 99 99 PHE CA C 99 58.500 61.365 -2.865 1
1 1152 . 10 1 1 A 99 99 PHE CB C 99 40.100 38.009 2.091 1
1 1156 . 10 1 1 A 99 99 PHE N N 99 118.800 119.026 -0.226 1
1 1157 . 10 1 1 A 100 100 ARG H H 100 7.350 8.304 -0.954 1
1 1158 . 10 1 1 A 100 100 ARG HA H 100 4.270 4.161 0.109 1
1 1165 . 10 1 1 A 100 100 ARG CA C 100 56.600 57.773 -1.173 1
1 1166 . 10 1 1 A 100 100 ARG CB C 100 30.300 29.000 1.300 1
1 1169 . 10 1 1 A 100 100 ARG N N 100 120.200 117.936 2.264 1
1 1170 . 10 1 1 A 101 101 ARG H H 101 8.180 7.281 0.899 1
1 1171 . 10 1 1 A 101 101 ARG HA H 101 4.270 4.352 -0.082 1
1 1177 . 10 1 1 A 101 101 ARG CA C 101 56.700 55.028 1.672 1
1 1178 . 10 1 1 A 101 101 ARG CB C 101 30.700 29.158 1.542 1
1 1181 . 10 1 1 A 101 101 ARG N N 101 121.100 120.872 0.228 1
1 1182 . 10 1 1 A 102 102 VAL H H 102 8.160 8.300 -0.140 1
1 1183 . 10 1 1 A 102 102 VAL HA H 102 4.080 4.151 -0.071 1
1 1191 . 10 1 1 A 102 102 VAL CA C 102 62.500 62.652 -0.152 1
1 1192 . 10 1 1 A 102 102 VAL CB C 102 32.700 30.913 1.787 1
1 1195 . 10 1 1 A 102 102 VAL N N 102 121.500 125.382 -3.882 1
1 1196 . 10 1 1 A 103 103 ARG H H 103 7.920 8.903 -0.983 1
1 1197 . 10 1 1 A 103 103 ARG HA H 103 4.160 4.492 -0.332 1
1 1204 . 10 1 1 A 103 103 ARG CA C 103 57.300 57.414 -0.114 1
1 1205 . 10 1 1 A 103 103 ARG CB C 103 31.600 32.919 -1.319 1
1 1208 . 10 1 1 A 103 103 ARG N N 103 129.400 129.090 0.310 1
1 1209 . 10 1 1 A 104 104 LEU H H 104 8.190 7.584 0.606 1
1 1210 . 10 1 1 A 104 104 LEU N N 104 122.800 119.383 3.417 1
1 1211 . 10 1 1 A 105 105 GLU H H 105 8.220 8.673 -0.453 1
1 8 . 11 1 1 A 2 2 PRO HA H 2 4.430 4.713 -0.283 1
1 15 . 11 1 1 A 2 2 PRO CA C 2 62.800 62.782 0.018 1
1 16 . 11 1 1 A 2 2 PRO CB C 2 31.900 31.827 0.073 1
1 19 . 11 1 1 A 3 3 VAL H H 3 8.130 8.719 -0.589 1
1 20 . 11 1 1 A 3 3 VAL HA H 3 4.030 4.447 -0.417 1
1 28 . 11 1 1 A 3 3 VAL CA C 3 62.200 61.156 1.044 1
1 29 . 11 1 1 A 3 3 VAL CB C 3 32.700 33.858 -1.158 1
1 32 . 11 1 1 A 3 3 VAL N N 3 120.100 124.501 -4.401 1
1 33 . 11 1 1 A 4 4 ALA H H 4 8.330 8.701 -0.371 1
1 34 . 11 1 1 A 4 4 ALA HA H 4 4.310 3.931 0.379 1
1 38 . 11 1 1 A 4 4 ALA CA C 4 52.100 53.250 -1.150 1
1 39 . 11 1 1 A 4 4 ALA CB C 4 19.400 17.863 1.537 1
1 40 . 11 1 1 A 4 4 ALA N N 4 127.300 128.765 -1.465 1
1 41 . 11 1 1 A 5 5 GLU H H 5 8.290 8.112 0.178 1
1 42 . 11 1 1 A 5 5 GLU HA H 5 4.290 4.478 -0.188 1
1 47 . 11 1 1 A 5 5 GLU CA C 5 56.100 55.144 0.956 1
1 48 . 11 1 1 A 5 5 GLU CB C 5 30.500 28.489 2.011 1
1 50 . 11 1 1 A 5 5 GLU N N 5 121.000 116.701 4.299 1
1 51 . 11 1 1 A 6 6 TRP H H 6 8.670 8.732 -0.062 1
1 52 . 11 1 1 A 6 6 TRP HA H 6 5.020 4.746 0.274 1
1 61 . 11 1 1 A 6 6 TRP CA C 6 54.500 57.695 -3.195 1
1 62 . 11 1 1 A 6 6 TRP CB C 6 30.100 30.481 -0.381 1
1 68 . 11 1 1 A 6 6 TRP N N 6 124.900 127.983 -3.083 1
1 70 . 11 1 1 A 7 7 ALA H H 7 7.850 8.866 -1.016 1
1 71 . 11 1 1 A 7 7 ALA HA H 7 3.790 4.177 -0.387 1
1 75 . 11 1 1 A 7 7 ALA CA C 7 53.200 52.481 0.719 1
1 76 . 11 1 1 A 7 7 ALA CB C 7 18.000 18.113 -0.113 1
1 77 . 11 1 1 A 7 7 ALA N N 7 128.000 127.820 0.180 1
1 78 . 11 1 1 A 8 8 VAL H H 8 5.280 7.039 -1.759 1
1 79 . 11 1 1 A 8 8 VAL HA H 8 2.850 4.158 -1.308 1
1 87 . 11 1 1 A 8 8 VAL CA C 8 59.700 57.860 1.840 1
1 88 . 11 1 1 A 8 8 VAL CB C 8 31.600 34.097 -2.497 1
1 91 . 11 1 1 A 8 8 VAL N N 8 117.000 118.467 -1.467 1
1 92 . 11 1 1 A 9 9 PRO HA H 9 4.340 4.429 -0.089 1
1 99 . 11 1 1 A 9 9 PRO CA C 9 62.800 63.029 -0.229 1
1 100 . 11 1 1 A 9 9 PRO CB C 9 32.400 32.590 -0.190 1
1 103 . 11 1 1 A 10 10 GLN HA H 10 3.710 3.979 -0.269 1
1 110 . 11 1 1 A 10 10 GLN CA C 10 60.100 58.378 1.722 1
1 111 . 11 1 1 A 10 10 GLN CB C 10 28.000 27.865 0.135 1
1 114 . 11 1 1 A 11 11 SER HA H 11 4.070 4.159 -0.089 1
1 117 . 11 1 1 A 11 11 SER CA C 11 61.400 62.152 -0.752 1
1 118 . 11 1 1 A 11 11 SER CB C 11 61.400 62.833 -1.433 1
1 119 . 11 1 1 A 12 12 SER H H 12 7.070 8.448 -1.378 1
1 120 . 11 1 1 A 12 12 SER HA H 12 3.990 3.969 0.021 1
1 123 . 11 1 1 A 12 12 SER CA C 12 61.500 61.119 0.381 1
1 124 . 11 1 1 A 12 12 SER CB C 12 61.500 62.380 -0.880 1
1 125 . 11 1 1 A 12 12 SER N N 12 119.300 116.024 3.276 1
1 126 . 11 1 1 A 13 13 ARG H H 13 8.000 7.784 0.216 1
1 127 . 11 1 1 A 13 13 ARG HA H 13 3.930 4.135 -0.205 1
1 134 . 11 1 1 A 13 13 ARG CA C 13 59.800 58.558 1.242 1
1 135 . 11 1 1 A 13 13 ARG CB C 13 30.300 29.660 0.640 1
1 138 . 11 1 1 A 13 13 ARG N N 13 121.600 123.035 -1.435 1
1 139 . 11 1 1 A 14 14 LEU H H 14 7.710 8.383 -0.673 1
1 140 . 11 1 1 A 14 14 LEU HA H 14 4.120 3.967 0.153 1
1 150 . 11 1 1 A 14 14 LEU CA C 14 57.900 58.000 -0.100 1
1 151 . 11 1 1 A 14 14 LEU CB C 14 41.900 41.655 0.245 1
1 155 . 11 1 1 A 14 14 LEU N N 14 117.100 119.944 -2.844 1
1 156 . 11 1 1 A 15 15 LYS H H 15 7.450 7.686 -0.236 1
1 157 . 11 1 1 A 15 15 LYS HA H 15 4.050 3.914 0.136 1
1 166 . 11 1 1 A 15 15 LYS CA C 15 59.100 58.967 0.133 1
1 167 . 11 1 1 A 15 15 LYS CB C 15 33.000 32.223 0.777 1
1 171 . 11 1 1 A 15 15 LYS N N 15 118.800 120.576 -1.776 1
1 172 . 11 1 1 A 16 16 TYR H H 16 8.640 7.506 1.134 1
1 173 . 11 1 1 A 16 16 TYR HA H 16 5.130 4.610 0.520 1
1 180 . 11 1 1 A 16 16 TYR CA C 16 58.900 61.872 -2.972 1
1 181 . 11 1 1 A 16 16 TYR CB C 16 37.100 38.006 -0.906 1
1 184 . 11 1 1 A 16 16 TYR N N 16 117.800 118.291 -0.491 1
1 185 . 11 1 1 A 17 17 ARG H H 17 8.470 8.614 -0.144 1
1 186 . 11 1 1 A 17 17 ARG HA H 17 4.230 4.115 0.115 1
1 193 . 11 1 1 A 17 17 ARG CA C 17 59.700 59.329 0.371 1
1 194 . 11 1 1 A 17 17 ARG CB C 17 29.800 29.701 0.099 1
1 197 . 11 1 1 A 17 17 ARG N N 17 124.000 122.335 1.665 1
1 198 . 11 1 1 A 18 18 GLN H H 18 7.740 7.714 0.026 1
1 199 . 11 1 1 A 18 18 GLN HA H 18 4.190 4.222 -0.032 1
1 206 . 11 1 1 A 18 18 GLN CA C 18 59.300 57.399 1.901 1
1 207 . 11 1 1 A 18 18 GLN CB C 18 27.900 29.069 -1.169 1
1 209 . 11 1 1 A 18 18 GLN N N 18 118.000 116.517 1.483 1
1 211 . 11 1 1 A 19 19 LEU H H 19 7.770 7.862 -0.092 1
1 212 . 11 1 1 A 19 19 LEU HA H 19 4.400 4.611 -0.211 1
1 222 . 11 1 1 A 19 19 LEU CA C 19 58.000 53.951 4.049 1
1 223 . 11 1 1 A 19 19 LEU CB C 19 42.800 42.988 -0.188 1
1 227 . 11 1 1 A 19 19 LEU N N 19 120.500 121.705 -1.205 1
1 228 . 11 1 1 A 20 20 PHE H H 20 8.710 7.630 1.080 1
1 229 . 11 1 1 A 20 20 PHE HA H 20 3.330 3.694 -0.364 1
1 237 . 11 1 1 A 20 20 PHE CA C 20 62.400 62.148 0.252 1
1 238 . 11 1 1 A 20 20 PHE CB C 20 38.500 39.159 -0.659 1
1 242 . 11 1 1 A 20 20 PHE N N 20 121.900 121.617 0.283 1
1 243 . 11 1 1 A 21 21 ASN H H 21 8.770 8.906 -0.136 1
1 244 . 11 1 1 A 21 21 ASN HA H 21 4.380 4.269 0.111 1
1 249 . 11 1 1 A 21 21 ASN CA C 21 55.400 56.384 -0.984 1
1 250 . 11 1 1 A 21 21 ASN CB C 21 37.600 39.085 -1.485 1
1 251 . 11 1 1 A 21 21 ASN N N 21 117.300 117.559 -0.259 1
1 253 . 11 1 1 A 22 22 SER H H 22 7.900 8.711 -0.811 1
1 254 . 11 1 1 A 22 22 SER HA H 22 4.180 4.103 0.077 1
1 257 . 11 1 1 A 22 22 SER CA C 22 60.700 61.769 -1.069 1
1 258 . 11 1 1 A 22 22 SER CB C 22 62.900 62.995 -0.095 1
1 259 . 11 1 1 A 22 22 SER N N 22 114.800 115.647 -0.847 1
1 260 . 11 1 1 A 23 23 HIS H H 23 7.310 8.337 -1.027 1
1 261 . 11 1 1 A 23 23 HIS HA H 23 4.480 4.310 0.170 1
1 266 . 11 1 1 A 23 23 HIS CA C 23 58.000 58.317 -0.317 1
1 267 . 11 1 1 A 23 23 HIS CB C 23 32.400 30.536 1.864 1
1 270 . 11 1 1 A 23 23 HIS N N 23 118.900 116.879 2.021 1
1 271 . 11 1 1 A 24 24 ASP H H 24 7.870 7.786 0.084 1
1 272 . 11 1 1 A 24 24 ASP HA H 24 4.850 4.157 0.693 1
1 275 . 11 1 1 A 24 24 ASP CA C 24 52.100 54.935 -2.835 1
1 276 . 11 1 1 A 24 24 ASP CB C 24 38.500 40.212 -1.712 1
1 277 . 11 1 1 A 24 24 ASP N N 24 122.400 120.482 1.918 1
1 278 . 11 1 1 A 25 25 LYS H H 25 7.900 7.244 0.656 1
1 279 . 11 1 1 A 25 25 LYS HA H 25 4.070 4.045 0.025 1
1 288 . 11 1 1 A 25 25 LYS CA C 25 58.600 59.000 -0.400 1
1 289 . 11 1 1 A 25 25 LYS CB C 25 32.600 32.583 0.017 1
1 293 . 11 1 1 A 25 25 LYS N N 25 122.400 118.969 3.431 1
1 294 . 11 1 1 A 26 26 THR H H 26 8.120 7.686 0.434 1
1 295 . 11 1 1 A 26 26 THR HA H 26 4.340 4.641 -0.301 1
1 300 . 11 1 1 A 26 26 THR CA C 26 61.000 60.960 0.040 1
1 301 . 11 1 1 A 26 26 THR CB C 26 69.100 69.430 -0.330 1
1 303 . 11 1 1 A 26 26 THR N N 26 106.400 109.197 -2.797 1
1 304 . 11 1 1 A 27 27 MET H H 27 8.030 7.508 0.522 1
1 305 . 11 1 1 A 27 27 MET HA H 27 3.980 4.512 -0.532 1
1 310 . 11 1 1 A 27 27 MET CA C 27 56.600 53.357 3.243 1
1 311 . 11 1 1 A 27 27 MET CB C 27 29.100 34.464 -5.364 1
1 313 . 11 1 1 A 27 27 MET N N 27 119.600 123.195 -3.595 1
1 314 . 11 1 1 A 28 28 SER H H 28 9.520 8.780 0.740 1
1 315 . 11 1 1 A 28 28 SER HA H 28 4.250 4.667 -0.417 1
1 318 . 11 1 1 A 28 28 SER CA C 28 60.500 56.867 3.633 1
1 319 . 11 1 1 A 28 28 SER CB C 28 64.400 63.935 0.465 1
1 320 . 11 1 1 A 28 28 SER N N 28 118.600 115.829 2.771 1
1 321 . 11 1 1 A 29 29 GLY H H 29 10.710 8.547 2.163 1
1 322 . 11 1 1 A 29 29 GLY HA2 H 29 4.380 3.944 0.436 1
1 323 . 11 1 1 A 29 29 GLY HA3 H 29 3.690 4.106 -0.416 1
1 324 . 11 1 1 A 29 29 GLY CA C 29 45.200 45.701 -0.501 1
1 325 . 11 1 1 A 29 29 GLY N N 29 113.800 109.989 3.811 1
1 326 . 11 1 1 A 30 30 HIS H H 30 7.870 7.398 0.472 1
1 327 . 11 1 1 A 30 30 HIS HA H 30 5.520 5.205 0.315 1
1 332 . 11 1 1 A 30 30 HIS CA C 30 55.800 54.821 0.979 1
1 333 . 11 1 1 A 30 30 HIS CB C 30 32.800 31.468 1.332 1
1 336 . 11 1 1 A 30 30 HIS N N 30 115.700 114.397 1.303 1
1 337 . 11 1 1 A 31 31 LEU H H 31 9.140 9.695 -0.555 1
1 338 . 11 1 1 A 31 31 LEU HA H 31 4.840 4.963 -0.123 1
1 348 . 11 1 1 A 31 31 LEU CA C 31 52.900 53.639 -0.739 1
1 349 . 11 1 1 A 31 31 LEU CB C 31 44.200 44.135 0.065 1
1 353 . 11 1 1 A 31 31 LEU N N 31 117.200 121.750 -4.550 1
1 354 . 11 1 1 A 32 32 THR H H 32 8.680 8.612 0.068 1
1 355 . 11 1 1 A 32 32 THR HA H 32 4.340 4.830 -0.490 1
1 360 . 11 1 1 A 32 32 THR CA C 32 61.500 60.553 0.947 1
1 361 . 11 1 1 A 32 32 THR CB C 32 70.200 71.589 -1.389 1
1 363 . 11 1 1 A 32 32 THR N N 32 113.400 113.386 0.014 1
1 364 . 11 1 1 A 33 33 GLY H H 33 9.090 8.854 0.236 1
1 365 . 11 1 1 A 33 33 GLY HA2 H 33 3.970 3.847 0.123 1
1 366 . 11 1 1 A 33 33 GLY HA3 H 33 4.070 4.093 -0.023 1
1 367 . 11 1 1 A 33 33 GLY CA C 33 49.300 48.282 1.018 1
1 368 . 11 1 1 A 33 33 GLY N N 33 108.000 109.662 -1.662 1
1 369 . 11 1 1 A 34 34 PRO HA H 34 4.110 4.153 -0.043 1
1 376 . 11 1 1 A 34 34 PRO CA C 34 65.400 65.464 -0.064 1
1 377 . 11 1 1 A 34 34 PRO CB C 34 32.200 31.105 1.095 1
1 380 . 11 1 1 A 35 35 GLN H H 35 7.240 7.928 -0.688 1
1 381 . 11 1 1 A 35 35 GLN HA H 35 4.040 3.985 0.055 1
1 388 . 11 1 1 A 35 35 GLN CA C 35 58.200 59.200 -1.000 1
1 389 . 11 1 1 A 35 35 GLN CB C 35 29.800 28.258 1.542 1
1 391 . 11 1 1 A 35 35 GLN N N 35 116.700 117.068 -0.368 1
1 393 . 11 1 1 A 36 36 ALA H H 36 9.180 8.694 0.486 1
1 394 . 11 1 1 A 36 36 ALA HA H 36 4.080 4.212 -0.132 1
1 398 . 11 1 1 A 36 36 ALA CA C 36 54.900 55.541 -0.641 1
1 399 . 11 1 1 A 36 36 ALA CB C 36 18.900 18.462 0.438 1
1 400 . 11 1 1 A 36 36 ALA N N 36 120.000 122.943 -2.943 1
1 401 . 11 1 1 A 37 37 ARG H H 37 9.060 8.498 0.562 1
1 402 . 11 1 1 A 37 37 ARG HA H 37 3.860 4.066 -0.206 1
1 409 . 11 1 1 A 37 37 ARG CA C 37 61.000 59.364 1.636 1
1 410 . 11 1 1 A 37 37 ARG CB C 37 29.900 29.805 0.095 1
1 413 . 11 1 1 A 37 37 ARG N N 37 117.200 118.004 -0.804 1
1 414 . 11 1 1 A 38 38 THR H H 38 7.620 7.930 -0.310 1
1 415 . 11 1 1 A 38 38 THR HA H 38 3.920 3.946 -0.026 1
1 420 . 11 1 1 A 38 38 THR CA C 38 66.900 66.991 -0.091 1
1 421 . 11 1 1 A 38 38 THR CB C 38 68.800 68.012 0.788 1
1 423 . 11 1 1 A 38 38 THR N N 38 114.600 117.850 -3.250 1
1 424 . 11 1 1 A 39 39 ILE H H 39 7.180 7.453 -0.273 1
1 425 . 11 1 1 A 39 39 ILE HA H 39 3.730 3.796 -0.066 1
1 435 . 11 1 1 A 39 39 ILE CA C 39 64.900 64.176 0.724 1
1 436 . 11 1 1 A 39 39 ILE CB C 39 39.000 37.764 1.236 1
1 440 . 11 1 1 A 39 39 ILE N N 39 121.500 121.728 -0.228 1
1 441 . 11 1 1 A 40 40 LEU H H 40 8.480 8.430 0.050 1
1 442 . 11 1 1 A 40 40 LEU HA H 40 3.870 3.921 -0.051 1
1 452 . 11 1 1 A 40 40 LEU CA C 40 58.500 57.815 0.685 1
1 453 . 11 1 1 A 40 40 LEU CB C 40 40.800 41.462 -0.662 1
1 457 . 11 1 1 A 40 40 LEU N N 40 119.900 119.984 -0.084 1
1 458 . 11 1 1 A 41 41 MET H H 41 8.160 8.490 -0.330 1
1 459 . 11 1 1 A 41 41 MET HA H 41 4.200 4.270 -0.070 1
1 464 . 11 1 1 A 41 41 MET CA C 41 57.700 57.836 -0.136 1
1 465 . 11 1 1 A 41 41 MET CB C 41 32.500 32.525 -0.025 1
1 467 . 11 1 1 A 41 41 MET N N 41 115.300 118.608 -3.308 1
1 468 . 11 1 1 A 42 42 GLN H H 42 7.600 7.962 -0.362 1
1 469 . 11 1 1 A 42 42 GLN HA H 42 4.230 4.237 -0.007 1
1 476 . 11 1 1 A 42 42 GLN CA C 42 57.200 57.590 -0.390 1
1 477 . 11 1 1 A 42 42 GLN CB C 42 27.900 27.997 -0.097 1
1 479 . 11 1 1 A 42 42 GLN N N 42 118.900 118.797 0.103 1
1 481 . 11 1 1 A 43 43 SER H H 43 7.670 7.563 0.107 1
1 482 . 11 1 1 A 43 43 SER HA H 43 4.300 4.433 -0.133 1
1 485 . 11 1 1 A 43 43 SER CA C 43 59.800 58.445 1.355 1
1 486 . 11 1 1 A 43 43 SER CB C 43 65.200 64.339 0.861 1
1 487 . 11 1 1 A 43 43 SER N N 43 113.900 113.043 0.857 1
1 488 . 11 1 1 A 44 44 SER H H 44 8.040 8.031 0.009 1
1 489 . 11 1 1 A 44 44 SER HA H 44 4.300 4.140 0.160 1
1 492 . 11 1 1 A 44 44 SER CA C 44 59.400 59.482 -0.082 1
1 493 . 11 1 1 A 44 44 SER CB C 44 62.500 61.155 1.345 1
1 494 . 11 1 1 A 44 44 SER N N 44 113.500 113.341 0.159 1
1 495 . 11 1 1 A 45 45 LEU H H 45 7.430 7.425 0.005 1
1 496 . 11 1 1 A 45 45 LEU HA H 45 4.470 4.402 0.068 1
1 506 . 11 1 1 A 45 45 LEU CA C 45 53.300 52.987 0.313 1
1 507 . 11 1 1 A 45 45 LEU CB C 45 41.700 41.388 0.312 1
1 511 . 11 1 1 A 45 45 LEU N N 45 121.900 121.617 0.283 1
1 512 . 11 1 1 A 46 46 PRO HA H 46 4.460 4.540 -0.080 1
1 519 . 11 1 1 A 46 46 PRO CA C 46 62.500 62.860 -0.360 1
1 520 . 11 1 1 A 46 46 PRO CB C 46 32.500 32.592 -0.092 1
1 523 . 11 1 1 A 47 47 GLN H H 47 8.820 8.975 -0.155 1
1 524 . 11 1 1 A 47 47 GLN HA H 47 3.870 3.948 -0.078 1
1 531 . 11 1 1 A 47 47 GLN CA C 47 59.600 59.098 0.502 1
1 532 . 11 1 1 A 47 47 GLN CB C 47 28.100 28.230 -0.130 1
1 534 . 11 1 1 A 47 47 GLN N N 47 123.400 123.594 -0.194 1
1 536 . 11 1 1 A 48 48 ALA H H 48 9.000 8.331 0.669 1
1 537 . 11 1 1 A 48 48 ALA HA H 48 4.150 4.066 0.084 1
1 541 . 11 1 1 A 48 48 ALA CA C 48 55.200 55.142 0.058 1
1 542 . 11 1 1 A 48 48 ALA CB C 48 18.200 18.345 -0.145 1
1 543 . 11 1 1 A 48 48 ALA N N 48 119.800 122.051 -2.251 1
1 544 . 11 1 1 A 49 49 GLN H H 49 7.190 8.140 -0.950 1
1 545 . 11 1 1 A 49 49 GLN HA H 49 4.230 4.078 0.152 1
1 552 . 11 1 1 A 49 49 GLN CA C 49 58.600 58.738 -0.138 1
1 553 . 11 1 1 A 49 49 GLN CB C 49 29.400 28.248 1.152 1
1 555 . 11 1 1 A 49 49 GLN N N 49 115.800 117.404 -1.604 1
1 557 . 11 1 1 A 50 50 LEU H H 50 7.800 8.280 -0.480 1
1 558 . 11 1 1 A 50 50 LEU HA H 50 3.930 3.992 -0.062 1
1 568 . 11 1 1 A 50 50 LEU CA C 50 57.900 57.947 -0.047 1
1 569 . 11 1 1 A 50 50 LEU CB C 50 41.100 41.628 -0.528 1
1 573 . 11 1 1 A 50 50 LEU N N 50 119.800 120.871 -1.071 1
1 574 . 11 1 1 A 51 51 ALA H H 51 8.410 8.974 -0.564 1
1 575 . 11 1 1 A 51 51 ALA HA H 51 4.210 4.076 0.134 1
1 579 . 11 1 1 A 51 51 ALA CA C 51 55.100 55.334 -0.234 1
1 580 . 11 1 1 A 51 51 ALA CB C 51 17.500 17.940 -0.440 1
1 581 . 11 1 1 A 51 51 ALA N N 51 122.600 122.346 0.254 1
1 582 . 11 1 1 A 52 52 SER H H 52 7.530 7.843 -0.313 1
1 583 . 11 1 1 A 52 52 SER HA H 52 4.310 4.114 0.196 1
1 586 . 11 1 1 A 52 52 SER CA C 52 62.200 62.349 -0.149 1
1 587 . 11 1 1 A 52 52 SER CB C 52 62.600 63.224 -0.624 1
1 588 . 11 1 1 A 52 52 SER N N 52 115.300 113.595 1.705 1
1 589 . 11 1 1 A 53 53 ILE H H 53 8.270 8.338 -0.068 1
1 590 . 11 1 1 A 53 53 ILE HA H 53 3.430 3.662 -0.232 1
1 600 . 11 1 1 A 53 53 ILE CA C 53 66.300 65.107 1.193 1
1 601 . 11 1 1 A 53 53 ILE CB C 53 37.900 37.659 0.241 1
1 605 . 11 1 1 A 53 53 ILE N N 53 122.000 120.799 1.201 1
1 606 . 11 1 1 A 54 54 TRP H H 54 8.480 8.517 -0.037 1
1 607 . 11 1 1 A 54 54 TRP HA H 54 3.720 4.183 -0.463 1
1 616 . 11 1 1 A 54 54 TRP CA C 54 61.400 61.025 0.375 1
1 617 . 11 1 1 A 54 54 TRP CB C 54 28.100 29.589 -1.489 1
1 623 . 11 1 1 A 54 54 TRP N N 54 122.100 121.944 0.156 1
1 625 . 11 1 1 A 55 55 ASN H H 55 7.860 8.656 -0.796 1
1 626 . 11 1 1 A 55 55 ASN HA H 55 4.350 4.500 -0.150 1
1 631 . 11 1 1 A 55 55 ASN CA C 55 55.900 56.202 -0.302 1
1 632 . 11 1 1 A 55 55 ASN CB C 55 38.500 39.366 -0.866 1
1 633 . 11 1 1 A 55 55 ASN N N 55 113.900 118.333 -4.433 1
1 635 . 11 1 1 A 56 56 LEU H H 56 8.020 8.253 -0.233 1
1 636 . 11 1 1 A 56 56 LEU HA H 56 3.990 4.076 -0.086 1
1 646 . 11 1 1 A 56 56 LEU CA C 56 56.700 57.526 -0.826 1
1 647 . 11 1 1 A 56 56 LEU CB C 56 43.900 41.618 2.282 1
1 651 . 11 1 1 A 56 56 LEU N N 56 117.500 119.405 -1.905 1
1 652 . 11 1 1 A 57 57 SER H H 57 7.280 7.444 -0.164 1
1 653 . 11 1 1 A 57 57 SER HA H 57 4.290 4.390 -0.100 1
1 656 . 11 1 1 A 57 57 SER CA C 57 61.100 60.871 0.229 1
1 657 . 11 1 1 A 57 57 SER CB C 57 64.000 63.345 0.655 1
1 658 . 11 1 1 A 57 57 SER N N 57 111.100 112.749 -1.649 1
1 659 . 11 1 1 A 58 58 ASP H H 58 7.030 7.939 -0.909 1
1 660 . 11 1 1 A 58 58 ASP HA H 58 4.650 4.317 0.333 1
1 663 . 11 1 1 A 58 58 ASP CA C 58 51.400 54.166 -2.766 1
1 664 . 11 1 1 A 58 58 ASP CB C 58 37.200 41.511 -4.311 1
1 665 . 11 1 1 A 58 58 ASP N N 58 115.600 119.891 -4.291 1
1 666 . 11 1 1 A 59 59 ILE H H 59 8.630 8.375 0.255 1
1 667 . 11 1 1 A 59 59 ILE HA H 59 3.260 3.912 -0.652 1
1 677 . 11 1 1 A 59 59 ILE CA C 59 62.900 64.365 -1.465 1
1 678 . 11 1 1 A 59 59 ILE CB C 59 36.600 38.214 -1.614 1
1 682 . 11 1 1 A 59 59 ILE N N 59 128.500 126.031 2.469 1
1 683 . 11 1 1 A 60 60 ASP H H 60 7.960 8.053 -0.093 1
1 684 . 11 1 1 A 60 60 ASP HA H 60 4.480 4.861 -0.381 1
1 687 . 11 1 1 A 60 60 ASP CA C 60 52.300 52.900 -0.600 1
1 688 . 11 1 1 A 60 60 ASP CB C 60 39.100 41.544 -2.444 1
1 689 . 11 1 1 A 60 60 ASP N N 60 113.200 117.312 -4.112 1
1 690 . 11 1 1 A 61 61 GLN H H 61 7.550 7.873 -0.323 1
1 691 . 11 1 1 A 61 61 GLN HA H 61 3.800 4.267 -0.467 1
1 698 . 11 1 1 A 61 61 GLN CA C 61 57.100 56.438 0.662 1
1 699 . 11 1 1 A 61 61 GLN CB C 61 26.400 29.860 -3.460 1
1 701 . 11 1 1 A 61 61 GLN N N 61 113.800 119.026 -5.226 1
1 703 . 11 1 1 A 62 62 ASP H H 62 8.390 9.101 -0.711 1
1 704 . 11 1 1 A 62 62 ASP HA H 62 4.720 4.554 0.166 1
1 707 . 11 1 1 A 62 62 ASP CA C 62 52.800 55.281 -2.481 1
1 708 . 11 1 1 A 62 62 ASP CB C 62 41.000 40.409 0.591 1
1 709 . 11 1 1 A 62 62 ASP N N 62 117.700 119.024 -1.324 1
1 710 . 11 1 1 A 63 63 GLY H H 63 10.840 7.842 2.998 1
1 711 . 11 1 1 A 63 63 GLY HA2 H 63 4.310 4.230 0.080 1
1 712 . 11 1 1 A 63 63 GLY HA3 H 63 3.880 4.452 -0.572 1
1 713 . 11 1 1 A 63 63 GLY CA C 63 46.200 45.658 0.542 1
1 714 . 11 1 1 A 63 63 GLY N N 63 114.200 105.099 9.101 1
1 715 . 11 1 1 A 64 64 LYS H H 64 8.070 7.298 0.772 1
1 716 . 11 1 1 A 64 64 LYS HA H 64 5.030 5.278 -0.248 1
1 725 . 11 1 1 A 64 64 LYS CA C 64 54.200 54.560 -0.360 1
1 726 . 11 1 1 A 64 64 LYS CB C 64 36.100 36.134 -0.034 1
1 730 . 11 1 1 A 64 64 LYS N N 64 117.400 120.170 -2.770 1
1 731 . 11 1 1 A 65 65 LEU H H 65 8.990 9.256 -0.266 1
1 732 . 11 1 1 A 65 65 LEU HA H 65 5.750 4.936 0.814 1
1 742 . 11 1 1 A 65 65 LEU CA C 65 52.900 53.511 -0.611 1
1 743 . 11 1 1 A 65 65 LEU CB C 65 43.600 43.617 -0.017 1
1 747 . 11 1 1 A 65 65 LEU N N 65 120.700 124.263 -3.563 1
1 748 . 11 1 1 A 66 66 THR H H 66 10.210 8.745 1.465 1
1 749 . 11 1 1 A 66 66 THR HA H 66 4.910 4.665 0.245 1
1 754 . 11 1 1 A 66 66 THR CA C 66 60.900 60.357 0.543 1
1 755 . 11 1 1 A 66 66 THR CB C 66 71.200 70.910 0.290 1
1 757 . 11 1 1 A 66 66 THR N N 66 116.300 117.466 -1.166 1
1 758 . 11 1 1 A 67 67 ALA H H 67 8.350 8.444 -0.094 1
1 759 . 11 1 1 A 67 67 ALA HA H 67 2.620 3.481 -0.861 1
1 763 . 11 1 1 A 67 67 ALA CA C 67 56.200 54.795 1.405 1
1 764 . 11 1 1 A 67 67 ALA CB C 67 18.000 17.638 0.362 1
1 765 . 11 1 1 A 67 67 ALA N N 67 122.000 123.339 -1.339 1
1 766 . 11 1 1 A 68 68 GLU H H 68 8.160 7.931 0.229 1
1 767 . 11 1 1 A 68 68 GLU HA H 68 4.180 4.153 0.027 1
1 772 . 11 1 1 A 68 68 GLU CA C 68 60.500 59.525 0.975 1
1 773 . 11 1 1 A 68 68 GLU CB C 68 30.500 29.421 1.079 1
1 775 . 11 1 1 A 68 68 GLU N N 68 112.200 117.730 -5.530 1
1 776 . 11 1 1 A 69 69 GLU H H 69 7.280 7.434 -0.154 1
1 777 . 11 1 1 A 69 69 GLU HA H 69 4.030 3.884 0.146 1
1 782 . 11 1 1 A 69 69 GLU CA C 69 60.100 58.771 1.329 1
1 783 . 11 1 1 A 69 69 GLU CB C 69 31.800 29.412 2.388 1
1 785 . 11 1 1 A 69 69 GLU N N 69 117.400 120.338 -2.938 1
1 786 . 11 1 1 A 70 70 PHE H H 70 8.940 8.179 0.761 1
1 787 . 11 1 1 A 70 70 PHE HA H 70 4.130 4.063 0.067 1
1 795 . 11 1 1 A 70 70 PHE CA C 70 61.900 61.226 0.674 1
1 796 . 11 1 1 A 70 70 PHE CB C 70 39.900 39.329 0.571 1
1 800 . 11 1 1 A 70 70 PHE N N 70 119.000 121.916 -2.916 1
1 801 . 11 1 1 A 71 71 ILE H H 71 8.890 8.122 0.768 1
1 802 . 11 1 1 A 71 71 ILE HA H 71 3.380 3.688 -0.308 1
1 812 . 11 1 1 A 71 71 ILE CA C 71 65.800 65.169 0.631 1
1 813 . 11 1 1 A 71 71 ILE CB C 71 39.100 37.665 1.435 1
1 817 . 11 1 1 A 71 71 ILE N N 71 119.800 120.773 -0.973 1
1 818 . 11 1 1 A 72 72 LEU H H 72 7.810 7.888 -0.078 1
1 819 . 11 1 1 A 72 72 LEU HA H 72 4.040 4.006 0.034 1
1 829 . 11 1 1 A 72 72 LEU CA C 72 58.300 57.909 0.391 1
1 830 . 11 1 1 A 72 72 LEU CB C 72 42.600 41.727 0.873 1
1 834 . 11 1 1 A 72 72 LEU N N 72 118.100 121.685 -3.585 1
1 835 . 11 1 1 A 73 73 ALA H H 73 8.340 8.503 -0.163 1
1 836 . 11 1 1 A 73 73 ALA HA H 73 3.820 4.003 -0.183 1
1 840 . 11 1 1 A 73 73 ALA CA C 73 55.600 55.343 0.257 1
1 841 . 11 1 1 A 73 73 ALA CB C 73 17.600 18.320 -0.720 1
1 842 . 11 1 1 A 73 73 ALA N N 73 122.000 120.862 1.138 1
1 843 . 11 1 1 A 74 74 MET H H 74 7.840 8.039 -0.199 1
1 844 . 11 1 1 A 74 74 MET HA H 74 3.830 3.858 -0.028 1
1 852 . 11 1 1 A 74 74 MET CA C 74 55.400 57.861 -2.461 1
1 853 . 11 1 1 A 74 74 MET CB C 74 27.800 30.904 -3.104 1
1 856 . 11 1 1 A 74 74 MET N N 74 113.400 116.631 -3.231 1
1 857 . 11 1 1 A 75 75 HIS H H 75 8.340 7.505 0.835 1
1 858 . 11 1 1 A 75 75 HIS HA H 75 4.510 4.230 0.280 1
1 863 . 11 1 1 A 75 75 HIS CA C 75 60.000 59.298 0.702 1
1 864 . 11 1 1 A 75 75 HIS CB C 75 31.400 29.728 1.672 1
1 867 . 11 1 1 A 75 75 HIS N N 75 120.200 120.998 -0.798 1
1 868 . 11 1 1 A 76 76 LEU H H 76 8.750 7.926 0.824 1
1 869 . 11 1 1 A 76 76 LEU HA H 76 3.670 3.707 -0.037 1
1 879 . 11 1 1 A 76 76 LEU CA C 76 57.700 57.531 0.169 1
1 880 . 11 1 1 A 76 76 LEU CB C 76 41.400 41.244 0.156 1
1 884 . 11 1 1 A 76 76 LEU N N 76 118.600 119.079 -0.479 1
1 885 . 11 1 1 A 77 77 ILE H H 77 7.980 8.045 -0.065 1
1 886 . 11 1 1 A 77 77 ILE HA H 77 3.470 3.445 0.025 1
1 896 . 11 1 1 A 77 77 ILE CA C 77 66.000 64.917 1.083 1
1 897 . 11 1 1 A 77 77 ILE CB C 77 36.500 37.662 -1.162 1
1 901 . 11 1 1 A 77 77 ILE N N 77 120.900 120.159 0.741 1
1 902 . 11 1 1 A 78 78 ASP H H 78 7.490 7.873 -0.383 1
1 903 . 11 1 1 A 78 78 ASP HA H 78 4.300 4.232 0.068 1
1 906 . 11 1 1 A 78 78 ASP CA C 78 57.900 57.455 0.445 1
1 907 . 11 1 1 A 78 78 ASP CB C 78 39.000 41.261 -2.261 1
1 908 . 11 1 1 A 78 78 ASP N N 78 121.500 120.702 0.798 1
1 909 . 11 1 1 A 79 79 VAL H H 79 8.380 7.664 0.716 1
1 910 . 11 1 1 A 79 79 VAL HA H 79 3.390 3.528 -0.138 1
1 918 . 11 1 1 A 79 79 VAL CA C 79 66.400 66.376 0.024 1
1 919 . 11 1 1 A 79 79 VAL CB C 79 31.700 31.509 0.191 1
1 922 . 11 1 1 A 79 79 VAL N N 79 122.400 118.763 3.637 1
1 923 . 11 1 1 A 80 80 ALA H H 80 8.730 8.447 0.283 1
1 924 . 11 1 1 A 80 80 ALA HA H 80 4.360 3.982 0.378 1
1 928 . 11 1 1 A 80 80 ALA CA C 80 54.800 55.357 -0.557 1
1 929 . 11 1 1 A 80 80 ALA CB C 80 18.100 17.715 0.385 1
1 930 . 11 1 1 A 80 80 ALA N N 80 125.200 122.302 2.898 1
1 931 . 11 1 1 A 81 81 MET H H 81 9.360 8.434 0.926 1
1 932 . 11 1 1 A 81 81 MET HA H 81 4.210 4.193 0.017 1
1 940 . 11 1 1 A 81 81 MET CA C 81 57.800 57.917 -0.117 1
1 941 . 11 1 1 A 81 81 MET CB C 81 31.800 31.903 -0.103 1
1 944 . 11 1 1 A 81 81 MET N N 81 119.600 118.940 0.660 1
1 945 . 11 1 1 A 82 82 SER H H 82 7.780 7.468 0.312 1
1 946 . 11 1 1 A 82 82 SER HA H 82 4.510 4.539 -0.029 1
1 949 . 11 1 1 A 82 82 SER CA C 82 59.500 58.156 1.344 1
1 950 . 11 1 1 A 82 82 SER CB C 82 64.000 63.380 0.620 1
1 951 . 11 1 1 A 82 82 SER N N 82 114.000 112.951 1.049 1
1 952 . 11 1 1 A 83 83 GLY H H 83 7.910 8.115 -0.205 1
1 953 . 11 1 1 A 83 83 GLY HA2 H 83 3.700 3.925 -0.225 1
1 954 . 11 1 1 A 83 83 GLY HA3 H 83 4.350 3.929 0.421 1
1 955 . 11 1 1 A 83 83 GLY CA C 83 44.900 45.936 -1.036 1
1 956 . 11 1 1 A 83 83 GLY N N 83 109.400 110.392 -0.992 1
1 957 . 11 1 1 A 84 84 GLN H H 84 7.100 7.570 -0.470 1
1 958 . 11 1 1 A 84 84 GLN HA H 84 4.530 4.558 -0.028 1
1 965 . 11 1 1 A 84 84 GLN CA C 84 53.100 52.929 0.171 1
1 966 . 11 1 1 A 84 84 GLN CB C 84 29.000 29.087 -0.087 1
1 968 . 11 1 1 A 84 84 GLN N N 84 120.700 119.965 0.735 1
1 970 . 11 1 1 A 85 85 PRO HA H 85 4.360 4.610 -0.250 1
1 977 . 11 1 1 A 85 85 PRO CA C 85 61.800 62.439 -0.639 1
1 978 . 11 1 1 A 85 85 PRO CB C 85 31.800 32.608 -0.808 1
1 981 . 11 1 1 A 86 86 LEU H H 86 8.360 8.428 -0.068 1
1 982 . 11 1 1 A 86 86 LEU HA H 86 4.380 4.660 -0.280 1
1 992 . 11 1 1 A 86 86 LEU CA C 86 51.600 52.642 -1.042 1
1 993 . 11 1 1 A 86 86 LEU CB C 86 41.000 41.105 -0.105 1
1 997 . 11 1 1 A 86 86 LEU N N 86 121.700 123.542 -1.842 1
1 998 . 11 1 1 A 87 87 PRO HA H 87 4.740 4.644 0.096 1
1 1005 . 11 1 1 A 87 87 PRO CA C 87 60.800 61.684 -0.884 1
1 1006 . 11 1 1 A 87 87 PRO CB C 87 30.900 32.167 -1.267 1
1 1009 . 11 1 1 A 88 88 PRO HA H 88 4.330 4.326 0.004 1
1 1016 . 11 1 1 A 88 88 PRO CA C 88 63.900 65.069 -1.169 1
1 1017 . 11 1 1 A 88 88 PRO CB C 88 31.700 32.096 -0.396 1
1 1020 . 11 1 1 A 89 89 VAL H H 89 6.840 7.160 -0.320 1
1 1021 . 11 1 1 A 89 89 VAL HA H 89 4.030 4.673 -0.643 1
1 1029 . 11 1 1 A 89 89 VAL CA C 89 59.300 59.371 -0.071 1
1 1030 . 11 1 1 A 89 89 VAL CB C 89 35.500 35.419 0.081 1
1 1033 . 11 1 1 A 89 89 VAL N N 89 112.700 109.942 2.758 1
1 1034 . 11 1 1 A 90 90 LEU H H 90 8.990 8.447 0.543 1
1 1035 . 11 1 1 A 90 90 LEU HA H 90 4.150 4.650 -0.500 1
1 1045 . 11 1 1 A 90 90 LEU CA C 90 53.500 52.593 0.907 1
1 1046 . 11 1 1 A 90 90 LEU CB C 90 42.200 43.224 -1.024 1
1 1050 . 11 1 1 A 90 90 LEU N N 90 127.800 127.247 0.553 1
1 1051 . 11 1 1 A 91 91 PRO HA H 91 4.830 4.707 0.123 1
1 1058 . 11 1 1 A 91 91 PRO CA C 91 61.100 61.794 -0.694 1
1 1059 . 11 1 1 A 91 91 PRO CB C 91 31.300 32.498 -1.198 1
1 1062 . 11 1 1 A 92 92 PRO HA H 92 4.230 4.249 -0.019 1
1 1069 . 11 1 1 A 92 92 PRO CA C 92 65.100 65.245 -0.145 1
1 1070 . 11 1 1 A 92 92 PRO CB C 92 31.800 31.927 -0.127 1
1 1073 . 11 1 1 A 93 93 GLU H H 93 10.180 8.680 1.500 1
1 1074 . 11 1 1 A 93 93 GLU HA H 93 4.300 4.136 0.164 1
1 1079 . 11 1 1 A 93 93 GLU CA C 93 58.700 59.079 -0.379 1
1 1080 . 11 1 1 A 93 93 GLU CB C 93 27.500 29.099 -1.599 1
1 1082 . 11 1 1 A 93 93 GLU N N 93 116.400 117.386 -0.986 1
1 1083 . 11 1 1 A 94 94 TYR H H 94 8.510 7.854 0.656 1
1 1084 . 11 1 1 A 94 94 TYR HA H 94 4.510 4.770 -0.260 1
1 1091 . 11 1 1 A 94 94 TYR CA C 94 60.100 59.171 0.929 1
1 1092 . 11 1 1 A 94 94 TYR CB C 94 39.600 38.974 0.626 1
1 1095 . 11 1 1 A 94 94 TYR N N 94 119.400 115.743 3.657 1
1 1096 . 11 1 1 A 95 95 ILE H H 95 7.800 7.594 0.206 1
1 1097 . 11 1 1 A 95 95 ILE HA H 95 3.940 4.338 -0.398 1
1 1107 . 11 1 1 A 95 95 ILE CA C 95 60.200 59.362 0.838 1
1 1108 . 11 1 1 A 95 95 ILE CB C 95 37.800 38.099 -0.299 1
1 1112 . 11 1 1 A 95 95 ILE N N 95 124.500 121.607 2.893 1
1 1113 . 11 1 1 A 96 96 PRO HA H 96 2.770 3.708 -0.938 1
1 1120 . 11 1 1 A 96 96 PRO CA C 96 60.700 61.358 -0.658 1
1 1121 . 11 1 1 A 96 96 PRO CB C 96 31.400 31.430 -0.030 1
1 1124 . 11 1 1 A 97 97 PRO HA H 97 3.680 4.019 -0.339 1
1 1131 . 11 1 1 A 97 97 PRO CA C 97 65.900 63.496 2.404 1
1 1132 . 11 1 1 A 97 97 PRO CB C 97 32.100 32.008 0.092 1
1 1135 . 11 1 1 A 98 98 SER H H 98 9.160 8.570 0.590 1
1 1136 . 11 1 1 A 98 98 SER HA H 98 3.980 3.946 0.034 1
1 1139 . 11 1 1 A 98 98 SER CA C 98 60.900 60.536 0.364 1
1 1140 . 11 1 1 A 98 98 SER CB C 98 62.200 60.979 1.221 1
1 1141 . 11 1 1 A 98 98 SER N N 98 112.400 111.973 0.427 1
1 1142 . 11 1 1 A 99 99 PHE H H 99 7.950 7.686 0.264 1
1 1143 . 11 1 1 A 99 99 PHE HA H 99 4.470 4.524 -0.054 1
1 1151 . 11 1 1 A 99 99 PHE CA C 99 58.500 58.252 0.248 1
1 1152 . 11 1 1 A 99 99 PHE CB C 99 40.100 38.308 1.792 1
1 1156 . 11 1 1 A 99 99 PHE N N 99 118.800 118.006 0.794 1
1 1157 . 11 1 1 A 100 100 ARG H H 100 7.350 7.760 -0.410 1
1 1158 . 11 1 1 A 100 100 ARG HA H 100 4.270 4.276 -0.006 1
1 1165 . 11 1 1 A 100 100 ARG CA C 100 56.600 57.407 -0.807 1
1 1166 . 11 1 1 A 100 100 ARG CB C 100 30.300 30.167 0.133 1
1 1169 . 11 1 1 A 100 100 ARG N N 100 120.200 117.865 2.335 1
1 1170 . 11 1 1 A 101 101 ARG H H 101 8.180 7.557 0.623 1
1 1171 . 11 1 1 A 101 101 ARG HA H 101 4.270 5.004 -0.734 1
1 1177 . 11 1 1 A 101 101 ARG CA C 101 56.700 54.742 1.958 1
1 1178 . 11 1 1 A 101 101 ARG CB C 101 30.700 32.923 -2.223 1
1 1181 . 11 1 1 A 101 101 ARG N N 101 121.100 120.852 0.248 1
1 1182 . 11 1 1 A 102 102 VAL H H 102 8.160 9.135 -0.975 1
1 1183 . 11 1 1 A 102 102 VAL HA H 102 4.080 4.630 -0.550 1
1 1191 . 11 1 1 A 102 102 VAL CA C 102 62.500 61.486 1.014 1
1 1192 . 11 1 1 A 102 102 VAL CB C 102 32.700 33.358 -0.658 1
1 1195 . 11 1 1 A 102 102 VAL N N 102 121.500 126.962 -5.462 1
1 1196 . 11 1 1 A 103 103 ARG H H 103 7.920 9.108 -1.188 1
1 1197 . 11 1 1 A 103 103 ARG HA H 103 4.160 4.926 -0.766 1
1 1204 . 11 1 1 A 103 103 ARG CA C 103 57.300 54.870 2.430 1
1 1205 . 11 1 1 A 103 103 ARG CB C 103 31.600 31.312 0.288 1
1 1208 . 11 1 1 A 103 103 ARG N N 103 129.400 129.973 -0.573 1
1 1209 . 11 1 1 A 104 104 LEU H H 104 8.190 8.380 -0.190 1
1 1210 . 11 1 1 A 104 104 LEU N N 104 122.800 123.651 -0.851 1
1 1211 . 11 1 1 A 105 105 GLU H H 105 8.220 9.059 -0.839 1
1 8 . 12 1 1 A 2 2 PRO HA H 2 4.430 4.579 -0.149 1
1 15 . 12 1 1 A 2 2 PRO CA C 2 62.800 62.296 0.504 1
1 16 . 12 1 1 A 2 2 PRO CB C 2 31.900 33.109 -1.209 1
1 19 . 12 1 1 A 3 3 VAL H H 3 8.130 8.384 -0.254 1
1 20 . 12 1 1 A 3 3 VAL HA H 3 4.030 4.342 -0.312 1
1 28 . 12 1 1 A 3 3 VAL CA C 3 62.200 61.431 0.769 1
1 29 . 12 1 1 A 3 3 VAL CB C 3 32.700 31.377 1.323 1
1 32 . 12 1 1 A 3 3 VAL N N 3 120.100 119.772 0.328 1
1 33 . 12 1 1 A 4 4 ALA H H 4 8.330 8.484 -0.154 1
1 34 . 12 1 1 A 4 4 ALA HA H 4 4.310 4.124 0.186 1
1 38 . 12 1 1 A 4 4 ALA CA C 4 52.100 54.393 -2.293 1
1 39 . 12 1 1 A 4 4 ALA CB C 4 19.400 18.209 1.191 1
1 40 . 12 1 1 A 4 4 ALA N N 4 127.300 125.975 1.325 1
1 41 . 12 1 1 A 5 5 GLU H H 5 8.290 8.701 -0.411 1
1 42 . 12 1 1 A 5 5 GLU HA H 5 4.290 4.436 -0.146 1
1 47 . 12 1 1 A 5 5 GLU CA C 5 56.100 55.621 0.479 1
1 48 . 12 1 1 A 5 5 GLU CB C 5 30.500 28.029 2.471 1
1 50 . 12 1 1 A 5 5 GLU N N 5 121.000 121.331 -0.331 1
1 51 . 12 1 1 A 6 6 TRP H H 6 8.670 7.949 0.721 1
1 52 . 12 1 1 A 6 6 TRP HA H 6 5.020 5.015 0.005 1
1 61 . 12 1 1 A 6 6 TRP CA C 6 54.500 57.310 -2.810 1
1 62 . 12 1 1 A 6 6 TRP CB C 6 30.100 32.404 -2.304 1
1 68 . 12 1 1 A 6 6 TRP N N 6 124.900 126.240 -1.340 1
1 70 . 12 1 1 A 7 7 ALA H H 7 7.850 9.050 -1.200 1
1 71 . 12 1 1 A 7 7 ALA HA H 7 3.790 4.125 -0.335 1
1 75 . 12 1 1 A 7 7 ALA CA C 7 53.200 51.817 1.383 1
1 76 . 12 1 1 A 7 7 ALA CB C 7 18.000 16.861 1.139 1
1 77 . 12 1 1 A 7 7 ALA N N 7 128.000 129.471 -1.471 1
1 78 . 12 1 1 A 8 8 VAL H H 8 5.280 7.541 -2.261 1
1 79 . 12 1 1 A 8 8 VAL HA H 8 2.850 4.124 -1.274 1
1 87 . 12 1 1 A 8 8 VAL CA C 8 59.700 57.512 2.188 1
1 88 . 12 1 1 A 8 8 VAL CB C 8 31.600 34.581 -2.981 1
1 91 . 12 1 1 A 8 8 VAL N N 8 117.000 118.697 -1.697 1
1 92 . 12 1 1 A 9 9 PRO HA H 9 4.340 4.434 -0.094 1
1 99 . 12 1 1 A 9 9 PRO CA C 9 62.800 63.381 -0.581 1
1 100 . 12 1 1 A 9 9 PRO CB C 9 32.400 32.335 0.065 1
1 103 . 12 1 1 A 10 10 GLN HA H 10 3.710 3.968 -0.258 1
1 110 . 12 1 1 A 10 10 GLN CA C 10 60.100 59.152 0.948 1
1 111 . 12 1 1 A 10 10 GLN CB C 10 28.000 28.405 -0.405 1
1 114 . 12 1 1 A 11 11 SER HA H 11 4.070 4.159 -0.089 1
1 117 . 12 1 1 A 11 11 SER CA C 11 61.400 61.920 -0.520 1
1 118 . 12 1 1 A 11 11 SER CB C 11 61.400 62.897 -1.497 1
1 119 . 12 1 1 A 12 12 SER H H 12 7.070 8.156 -1.086 1
1 120 . 12 1 1 A 12 12 SER HA H 12 3.990 4.391 -0.401 1
1 123 . 12 1 1 A 12 12 SER CA C 12 61.500 61.201 0.299 1
1 124 . 12 1 1 A 12 12 SER CB C 12 61.500 63.105 -1.605 1
1 125 . 12 1 1 A 12 12 SER N N 12 119.300 117.327 1.973 1
1 126 . 12 1 1 A 13 13 ARG H H 13 8.000 7.850 0.150 1
1 127 . 12 1 1 A 13 13 ARG HA H 13 3.930 4.141 -0.211 1
1 134 . 12 1 1 A 13 13 ARG CA C 13 59.800 58.546 1.254 1
1 135 . 12 1 1 A 13 13 ARG CB C 13 30.300 29.696 0.604 1
1 138 . 12 1 1 A 13 13 ARG N N 13 121.600 122.186 -0.586 1
1 139 . 12 1 1 A 14 14 LEU H H 14 7.710 8.546 -0.836 1
1 140 . 12 1 1 A 14 14 LEU HA H 14 4.120 4.075 0.045 1
1 150 . 12 1 1 A 14 14 LEU CA C 14 57.900 57.946 -0.046 1
1 151 . 12 1 1 A 14 14 LEU CB C 14 41.900 41.259 0.641 1
1 155 . 12 1 1 A 14 14 LEU N N 14 117.100 119.771 -2.671 1
1 156 . 12 1 1 A 15 15 LYS H H 15 7.450 8.463 -1.013 1
1 157 . 12 1 1 A 15 15 LYS HA H 15 4.050 3.940 0.110 1
1 166 . 12 1 1 A 15 15 LYS CA C 15 59.100 59.076 0.024 1
1 167 . 12 1 1 A 15 15 LYS CB C 15 33.000 32.093 0.907 1
1 171 . 12 1 1 A 15 15 LYS N N 15 118.800 120.011 -1.211 1
1 172 . 12 1 1 A 16 16 TYR H H 16 8.640 7.886 0.754 1
1 173 . 12 1 1 A 16 16 TYR HA H 16 5.130 4.745 0.385 1
1 180 . 12 1 1 A 16 16 TYR CA C 16 58.900 58.167 0.733 1
1 181 . 12 1 1 A 16 16 TYR CB C 16 37.100 38.887 -1.787 1
1 184 . 12 1 1 A 16 16 TYR N N 16 117.800 117.021 0.779 1
1 185 . 12 1 1 A 17 17 ARG H H 17 8.470 8.290 0.180 1
1 186 . 12 1 1 A 17 17 ARG HA H 17 4.230 4.269 -0.039 1
1 193 . 12 1 1 A 17 17 ARG CA C 17 59.700 59.329 0.371 1
1 194 . 12 1 1 A 17 17 ARG CB C 17 29.800 29.673 0.127 1
1 197 . 12 1 1 A 17 17 ARG N N 17 124.000 123.345 0.655 1
1 198 . 12 1 1 A 18 18 GLN H H 18 7.740 7.939 -0.199 1
1 199 . 12 1 1 A 18 18 GLN HA H 18 4.190 4.208 -0.018 1
1 206 . 12 1 1 A 18 18 GLN CA C 18 59.300 57.386 1.914 1
1 207 . 12 1 1 A 18 18 GLN CB C 18 27.900 28.956 -1.056 1
1 209 . 12 1 1 A 18 18 GLN N N 18 118.000 116.636 1.364 1
1 211 . 12 1 1 A 19 19 LEU H H 19 7.770 7.819 -0.049 1
1 212 . 12 1 1 A 19 19 LEU HA H 19 4.400 4.531 -0.131 1
1 222 . 12 1 1 A 19 19 LEU CA C 19 58.000 53.757 4.243 1
1 223 . 12 1 1 A 19 19 LEU CB C 19 42.800 42.775 0.025 1
1 227 . 12 1 1 A 19 19 LEU N N 19 120.500 121.119 -0.619 1
1 228 . 12 1 1 A 20 20 PHE H H 20 8.710 8.091 0.619 1
1 229 . 12 1 1 A 20 20 PHE HA H 20 3.330 3.520 -0.190 1
1 237 . 12 1 1 A 20 20 PHE CA C 20 62.400 62.082 0.318 1
1 238 . 12 1 1 A 20 20 PHE CB C 20 38.500 39.116 -0.616 1
1 242 . 12 1 1 A 20 20 PHE N N 20 121.900 122.299 -0.399 1
1 243 . 12 1 1 A 21 21 ASN H H 21 8.770 8.873 -0.103 1
1 244 . 12 1 1 A 21 21 ASN HA H 21 4.380 4.329 0.051 1
1 249 . 12 1 1 A 21 21 ASN CA C 21 55.400 56.506 -1.106 1
1 250 . 12 1 1 A 21 21 ASN CB C 21 37.600 39.041 -1.441 1
1 251 . 12 1 1 A 21 21 ASN N N 21 117.300 117.582 -0.282 1
1 253 . 12 1 1 A 22 22 SER H H 22 7.900 8.821 -0.921 1
1 254 . 12 1 1 A 22 22 SER HA H 22 4.180 4.196 -0.016 1
1 257 . 12 1 1 A 22 22 SER CA C 22 60.700 60.306 0.394 1
1 258 . 12 1 1 A 22 22 SER CB C 22 62.900 63.063 -0.163 1
1 259 . 12 1 1 A 22 22 SER N N 22 114.800 113.837 0.963 1
1 260 . 12 1 1 A 23 23 HIS H H 23 7.310 8.208 -0.898 1
1 261 . 12 1 1 A 23 23 HIS HA H 23 4.480 4.481 -0.001 1
1 266 . 12 1 1 A 23 23 HIS CA C 23 58.000 56.457 1.543 1
1 267 . 12 1 1 A 23 23 HIS CB C 23 32.400 29.554 2.846 1
1 270 . 12 1 1 A 23 23 HIS N N 23 118.900 116.697 2.203 1
1 271 . 12 1 1 A 24 24 ASP H H 24 7.870 7.781 0.089 1
1 272 . 12 1 1 A 24 24 ASP HA H 24 4.850 4.201 0.649 1
1 275 . 12 1 1 A 24 24 ASP CA C 24 52.100 54.418 -2.318 1
1 276 . 12 1 1 A 24 24 ASP CB C 24 38.500 42.607 -4.107 1
1 277 . 12 1 1 A 24 24 ASP N N 24 122.400 121.657 0.743 1
1 278 . 12 1 1 A 25 25 LYS H H 25 7.900 8.715 -0.815 1
1 279 . 12 1 1 A 25 25 LYS HA H 25 4.070 4.036 0.034 1
1 288 . 12 1 1 A 25 25 LYS CA C 25 58.600 58.899 -0.299 1
1 289 . 12 1 1 A 25 25 LYS CB C 25 32.600 31.948 0.652 1
1 293 . 12 1 1 A 25 25 LYS N N 25 122.400 122.960 -0.560 1
1 294 . 12 1 1 A 26 26 THR H H 26 8.120 7.968 0.152 1
1 295 . 12 1 1 A 26 26 THR HA H 26 4.340 4.455 -0.115 1
1 300 . 12 1 1 A 26 26 THR CA C 26 61.000 63.394 -2.394 1
1 301 . 12 1 1 A 26 26 THR CB C 26 69.100 71.200 -2.100 1
1 303 . 12 1 1 A 26 26 THR N N 26 106.400 112.165 -5.765 1
1 304 . 12 1 1 A 27 27 MET H H 27 8.030 8.047 -0.017 1
1 305 . 12 1 1 A 27 27 MET HA H 27 3.980 4.694 -0.714 1
1 310 . 12 1 1 A 27 27 MET CA C 27 56.600 54.383 2.217 1
1 311 . 12 1 1 A 27 27 MET CB C 27 29.100 32.583 -3.483 1
1 313 . 12 1 1 A 27 27 MET N N 27 119.600 118.397 1.203 1
1 314 . 12 1 1 A 28 28 SER H H 28 9.520 8.847 0.673 1
1 315 . 12 1 1 A 28 28 SER HA H 28 4.250 4.243 0.007 1
1 318 . 12 1 1 A 28 28 SER CA C 28 60.500 59.280 1.220 1
1 319 . 12 1 1 A 28 28 SER CB C 28 64.400 64.046 0.354 1
1 320 . 12 1 1 A 28 28 SER N N 28 118.600 120.976 -2.376 1
1 321 . 12 1 1 A 29 29 GLY H H 29 10.710 9.249 1.461 1
1 322 . 12 1 1 A 29 29 GLY HA2 H 29 4.380 4.007 0.373 1
1 323 . 12 1 1 A 29 29 GLY HA3 H 29 3.690 4.085 -0.395 1
1 324 . 12 1 1 A 29 29 GLY CA C 29 45.200 45.739 -0.539 1
1 325 . 12 1 1 A 29 29 GLY N N 29 113.800 108.964 4.836 1
1 326 . 12 1 1 A 30 30 HIS H H 30 7.870 7.387 0.483 1
1 327 . 12 1 1 A 30 30 HIS HA H 30 5.520 5.184 0.336 1
1 332 . 12 1 1 A 30 30 HIS CA C 30 55.800 54.419 1.381 1
1 333 . 12 1 1 A 30 30 HIS CB C 30 32.800 31.532 1.268 1
1 336 . 12 1 1 A 30 30 HIS N N 30 115.700 114.408 1.292 1
1 337 . 12 1 1 A 31 31 LEU H H 31 9.140 9.871 -0.731 1
1 338 . 12 1 1 A 31 31 LEU HA H 31 4.840 5.105 -0.265 1
1 348 . 12 1 1 A 31 31 LEU CA C 31 52.900 53.626 -0.726 1
1 349 . 12 1 1 A 31 31 LEU CB C 31 44.200 44.994 -0.794 1
1 353 . 12 1 1 A 31 31 LEU N N 31 117.200 120.627 -3.427 1
1 354 . 12 1 1 A 32 32 THR H H 32 8.680 8.917 -0.237 1
1 355 . 12 1 1 A 32 32 THR HA H 32 4.340 4.890 -0.550 1
1 360 . 12 1 1 A 32 32 THR CA C 32 61.500 60.679 0.821 1
1 361 . 12 1 1 A 32 32 THR CB C 32 70.200 71.891 -1.691 1
1 363 . 12 1 1 A 32 32 THR N N 32 113.400 114.597 -1.197 1
1 364 . 12 1 1 A 33 33 GLY H H 33 9.090 8.611 0.479 1
1 365 . 12 1 1 A 33 33 GLY HA2 H 33 3.970 3.847 0.123 1
1 366 . 12 1 1 A 33 33 GLY HA3 H 33 4.070 4.037 0.033 1
1 367 . 12 1 1 A 33 33 GLY CA C 33 49.300 48.312 0.988 1
1 368 . 12 1 1 A 33 33 GLY N N 33 108.000 109.599 -1.599 1
1 369 . 12 1 1 A 34 34 PRO HA H 34 4.110 4.164 -0.054 1
1 376 . 12 1 1 A 34 34 PRO CA C 34 65.400 65.544 -0.144 1
1 377 . 12 1 1 A 34 34 PRO CB C 34 32.200 30.921 1.279 1
1 380 . 12 1 1 A 35 35 GLN H H 35 7.240 8.218 -0.978 1
1 381 . 12 1 1 A 35 35 GLN HA H 35 4.040 4.050 -0.010 1
1 388 . 12 1 1 A 35 35 GLN CA C 35 58.200 59.314 -1.114 1
1 389 . 12 1 1 A 35 35 GLN CB C 35 29.800 28.336 1.464 1
1 391 . 12 1 1 A 35 35 GLN N N 35 116.700 117.431 -0.731 1
1 393 . 12 1 1 A 36 36 ALA H H 36 9.180 8.811 0.369 1
1 394 . 12 1 1 A 36 36 ALA HA H 36 4.080 4.209 -0.129 1
1 398 . 12 1 1 A 36 36 ALA CA C 36 54.900 55.645 -0.745 1
1 399 . 12 1 1 A 36 36 ALA CB C 36 18.900 18.514 0.386 1
1 400 . 12 1 1 A 36 36 ALA N N 36 120.000 122.779 -2.779 1
1 401 . 12 1 1 A 37 37 ARG H H 37 9.060 8.327 0.733 1
1 402 . 12 1 1 A 37 37 ARG HA H 37 3.860 4.052 -0.192 1
1 409 . 12 1 1 A 37 37 ARG CA C 37 61.000 59.400 1.600 1
1 410 . 12 1 1 A 37 37 ARG CB C 37 29.900 29.797 0.103 1
1 413 . 12 1 1 A 37 37 ARG N N 37 117.200 118.263 -1.063 1
1 414 . 12 1 1 A 38 38 THR H H 38 7.620 8.009 -0.389 1
1 415 . 12 1 1 A 38 38 THR HA H 38 3.920 3.987 -0.067 1
1 420 . 12 1 1 A 38 38 THR CA C 38 66.900 67.131 -0.231 1
1 421 . 12 1 1 A 38 38 THR CB C 38 68.800 68.557 0.243 1
1 423 . 12 1 1 A 38 38 THR N N 38 114.600 117.839 -3.239 1
1 424 . 12 1 1 A 39 39 ILE H H 39 7.180 7.535 -0.355 1
1 425 . 12 1 1 A 39 39 ILE HA H 39 3.730 3.768 -0.038 1
1 435 . 12 1 1 A 39 39 ILE CA C 39 64.900 64.162 0.738 1
1 436 . 12 1 1 A 39 39 ILE CB C 39 39.000 37.354 1.646 1
1 440 . 12 1 1 A 39 39 ILE N N 39 121.500 121.346 0.154 1
1 441 . 12 1 1 A 40 40 LEU H H 40 8.480 8.352 0.128 1
1 442 . 12 1 1 A 40 40 LEU HA H 40 3.870 3.942 -0.072 1
1 452 . 12 1 1 A 40 40 LEU CA C 40 58.500 57.848 0.652 1
1 453 . 12 1 1 A 40 40 LEU CB C 40 40.800 41.437 -0.637 1
1 457 . 12 1 1 A 40 40 LEU N N 40 119.900 120.600 -0.700 1
1 458 . 12 1 1 A 41 41 MET H H 41 8.160 8.533 -0.373 1
1 459 . 12 1 1 A 41 41 MET HA H 41 4.200 4.235 -0.035 1
1 464 . 12 1 1 A 41 41 MET CA C 41 57.700 57.947 -0.247 1
1 465 . 12 1 1 A 41 41 MET CB C 41 32.500 32.356 0.144 1
1 467 . 12 1 1 A 41 41 MET N N 41 115.300 118.544 -3.244 1
1 468 . 12 1 1 A 42 42 GLN H H 42 7.600 7.371 0.229 1
1 469 . 12 1 1 A 42 42 GLN HA H 42 4.230 4.244 -0.014 1
1 476 . 12 1 1 A 42 42 GLN CA C 42 57.200 57.837 -0.637 1
1 477 . 12 1 1 A 42 42 GLN CB C 42 27.900 28.419 -0.519 1
1 479 . 12 1 1 A 42 42 GLN N N 42 118.900 118.839 0.061 1
1 481 . 12 1 1 A 43 43 SER H H 43 7.670 7.509 0.161 1
1 482 . 12 1 1 A 43 43 SER HA H 43 4.300 4.479 -0.179 1
1 485 . 12 1 1 A 43 43 SER CA C 43 59.800 59.111 0.689 1
1 486 . 12 1 1 A 43 43 SER CB C 43 65.200 63.494 1.706 1
1 487 . 12 1 1 A 43 43 SER N N 43 113.900 113.660 0.240 1
1 488 . 12 1 1 A 44 44 SER H H 44 8.040 7.798 0.242 1
1 489 . 12 1 1 A 44 44 SER HA H 44 4.300 4.172 0.128 1
1 492 . 12 1 1 A 44 44 SER CA C 44 59.400 59.611 -0.211 1
1 493 . 12 1 1 A 44 44 SER CB C 44 62.500 61.107 1.393 1
1 494 . 12 1 1 A 44 44 SER N N 44 113.500 114.782 -1.282 1
1 495 . 12 1 1 A 45 45 LEU H H 45 7.430 7.901 -0.471 1
1 496 . 12 1 1 A 45 45 LEU HA H 45 4.470 4.513 -0.043 1
1 506 . 12 1 1 A 45 45 LEU CA C 45 53.300 52.719 0.581 1
1 507 . 12 1 1 A 45 45 LEU CB C 45 41.700 41.522 0.178 1
1 511 . 12 1 1 A 45 45 LEU N N 45 121.900 121.889 0.011 1
1 512 . 12 1 1 A 46 46 PRO HA H 46 4.460 4.556 -0.096 1
1 519 . 12 1 1 A 46 46 PRO CA C 46 62.500 62.549 -0.049 1
1 520 . 12 1 1 A 46 46 PRO CB C 46 32.500 32.492 0.008 1
1 523 . 12 1 1 A 47 47 GLN H H 47 8.820 9.009 -0.189 1
1 524 . 12 1 1 A 47 47 GLN HA H 47 3.870 3.943 -0.073 1
1 531 . 12 1 1 A 47 47 GLN CA C 47 59.600 59.077 0.523 1
1 532 . 12 1 1 A 47 47 GLN CB C 47 28.100 28.238 -0.138 1
1 534 . 12 1 1 A 47 47 GLN N N 47 123.400 122.620 0.780 1
1 536 . 12 1 1 A 48 48 ALA H H 48 9.000 8.358 0.642 1
1 537 . 12 1 1 A 48 48 ALA HA H 48 4.150 4.078 0.072 1
1 541 . 12 1 1 A 48 48 ALA CA C 48 55.200 55.059 0.141 1
1 542 . 12 1 1 A 48 48 ALA CB C 48 18.200 18.616 -0.416 1
1 543 . 12 1 1 A 48 48 ALA N N 48 119.800 121.827 -2.027 1
1 544 . 12 1 1 A 49 49 GLN H H 49 7.190 7.699 -0.509 1
1 545 . 12 1 1 A 49 49 GLN HA H 49 4.230 4.046 0.184 1
1 552 . 12 1 1 A 49 49 GLN CA C 49 58.600 58.799 -0.199 1
1 553 . 12 1 1 A 49 49 GLN CB C 49 29.400 28.627 0.773 1
1 555 . 12 1 1 A 49 49 GLN N N 49 115.800 117.624 -1.824 1
1 557 . 12 1 1 A 50 50 LEU H H 50 7.800 8.269 -0.469 1
1 558 . 12 1 1 A 50 50 LEU HA H 50 3.930 4.042 -0.112 1
1 568 . 12 1 1 A 50 50 LEU CA C 50 57.900 57.966 -0.066 1
1 569 . 12 1 1 A 50 50 LEU CB C 50 41.100 41.493 -0.393 1
1 573 . 12 1 1 A 50 50 LEU N N 50 119.800 120.187 -0.387 1
1 574 . 12 1 1 A 51 51 ALA H H 51 8.410 8.918 -0.508 1
1 575 . 12 1 1 A 51 51 ALA HA H 51 4.210 4.080 0.130 1
1 579 . 12 1 1 A 51 51 ALA CA C 51 55.100 55.346 -0.246 1
1 580 . 12 1 1 A 51 51 ALA CB C 51 17.500 17.602 -0.102 1
1 581 . 12 1 1 A 51 51 ALA N N 51 122.600 123.115 -0.515 1
1 582 . 12 1 1 A 52 52 SER H H 52 7.530 7.498 0.032 1
1 583 . 12 1 1 A 52 52 SER HA H 52 4.310 4.221 0.089 1
1 586 . 12 1 1 A 52 52 SER CA C 52 62.200 61.579 0.621 1
1 587 . 12 1 1 A 52 52 SER CB C 52 62.600 63.013 -0.413 1
1 588 . 12 1 1 A 52 52 SER N N 52 115.300 113.122 2.178 1
1 589 . 12 1 1 A 53 53 ILE H H 53 8.270 8.112 0.158 1
1 590 . 12 1 1 A 53 53 ILE HA H 53 3.430 3.687 -0.257 1
1 600 . 12 1 1 A 53 53 ILE CA C 53 66.300 64.855 1.445 1
1 601 . 12 1 1 A 53 53 ILE CB C 53 37.900 37.544 0.356 1
1 605 . 12 1 1 A 53 53 ILE N N 53 122.000 121.548 0.452 1
1 606 . 12 1 1 A 54 54 TRP H H 54 8.480 8.679 -0.199 1
1 607 . 12 1 1 A 54 54 TRP HA H 54 3.720 4.091 -0.371 1
1 616 . 12 1 1 A 54 54 TRP CA C 54 61.400 60.733 0.667 1
1 617 . 12 1 1 A 54 54 TRP CB C 54 28.100 29.428 -1.328 1
1 623 . 12 1 1 A 54 54 TRP N N 54 122.100 121.506 0.594 1
1 625 . 12 1 1 A 55 55 ASN H H 55 7.860 8.727 -0.867 1
1 626 . 12 1 1 A 55 55 ASN HA H 55 4.350 4.505 -0.155 1
1 631 . 12 1 1 A 55 55 ASN CA C 55 55.900 56.596 -0.696 1
1 632 . 12 1 1 A 55 55 ASN CB C 55 38.500 40.109 -1.609 1
1 633 . 12 1 1 A 55 55 ASN N N 55 113.900 117.934 -4.034 1
1 635 . 12 1 1 A 56 56 LEU H H 56 8.020 8.087 -0.067 1
1 636 . 12 1 1 A 56 56 LEU HA H 56 3.990 4.097 -0.107 1
1 646 . 12 1 1 A 56 56 LEU CA C 56 56.700 57.808 -1.108 1
1 647 . 12 1 1 A 56 56 LEU CB C 56 43.900 41.202 2.698 1
1 651 . 12 1 1 A 56 56 LEU N N 56 117.500 119.557 -2.057 1
1 652 . 12 1 1 A 57 57 SER H H 57 7.280 8.030 -0.750 1
1 653 . 12 1 1 A 57 57 SER HA H 57 4.290 4.159 0.131 1
1 656 . 12 1 1 A 57 57 SER CA C 57 61.100 61.100 0.000 1
1 657 . 12 1 1 A 57 57 SER CB C 57 64.000 62.724 1.276 1
1 658 . 12 1 1 A 57 57 SER N N 57 111.100 113.683 -2.583 1
1 659 . 12 1 1 A 58 58 ASP H H 58 7.030 7.558 -0.528 1
1 660 . 12 1 1 A 58 58 ASP HA H 58 4.650 4.175 0.475 1
1 663 . 12 1 1 A 58 58 ASP CA C 58 51.400 54.253 -2.853 1
1 664 . 12 1 1 A 58 58 ASP CB C 58 37.200 41.728 -4.528 1
1 665 . 12 1 1 A 58 58 ASP N N 58 115.600 119.889 -4.289 1
1 666 . 12 1 1 A 59 59 ILE H H 59 8.630 8.088 0.542 1
1 667 . 12 1 1 A 59 59 ILE HA H 59 3.260 3.824 -0.564 1
1 677 . 12 1 1 A 59 59 ILE CA C 59 62.900 64.394 -1.494 1
1 678 . 12 1 1 A 59 59 ILE CB C 59 36.600 37.721 -1.121 1
1 682 . 12 1 1 A 59 59 ILE N N 59 128.500 126.450 2.050 1
1 683 . 12 1 1 A 60 60 ASP H H 60 7.960 7.797 0.163 1
1 684 . 12 1 1 A 60 60 ASP HA H 60 4.480 4.824 -0.344 1
1 687 . 12 1 1 A 60 60 ASP CA C 60 52.300 53.082 -0.782 1
1 688 . 12 1 1 A 60 60 ASP CB C 60 39.100 41.255 -2.155 1
1 689 . 12 1 1 A 60 60 ASP N N 60 113.200 118.714 -5.514 1
1 690 . 12 1 1 A 61 61 GLN H H 61 7.550 8.192 -0.642 1
1 691 . 12 1 1 A 61 61 GLN HA H 61 3.800 4.127 -0.327 1
1 698 . 12 1 1 A 61 61 GLN CA C 61 57.100 56.692 0.408 1
1 699 . 12 1 1 A 61 61 GLN CB C 61 26.400 25.849 0.551 1
1 701 . 12 1 1 A 61 61 GLN N N 61 113.800 116.785 -2.985 1
1 703 . 12 1 1 A 62 62 ASP H H 62 8.390 7.818 0.572 1
1 704 . 12 1 1 A 62 62 ASP HA H 62 4.720 4.672 0.048 1
1 707 . 12 1 1 A 62 62 ASP CA C 62 52.800 54.579 -1.779 1
1 708 . 12 1 1 A 62 62 ASP CB C 62 41.000 41.441 -0.441 1
1 709 . 12 1 1 A 62 62 ASP N N 62 117.700 118.683 -0.983 1
1 710 . 12 1 1 A 63 63 GLY H H 63 10.840 8.750 2.090 1
1 711 . 12 1 1 A 63 63 GLY HA2 H 63 4.310 4.206 0.104 1
1 712 . 12 1 1 A 63 63 GLY HA3 H 63 3.880 4.504 -0.624 1
1 713 . 12 1 1 A 63 63 GLY CA C 63 46.200 45.770 0.430 1
1 714 . 12 1 1 A 63 63 GLY N N 63 114.200 107.333 6.867 1
1 715 . 12 1 1 A 64 64 LYS H H 64 8.070 7.584 0.486 1
1 716 . 12 1 1 A 64 64 LYS HA H 64 5.030 5.219 -0.189 1
1 725 . 12 1 1 A 64 64 LYS CA C 64 54.200 54.248 -0.048 1
1 726 . 12 1 1 A 64 64 LYS CB C 64 36.100 36.003 0.097 1
1 730 . 12 1 1 A 64 64 LYS N N 64 117.400 119.420 -2.020 1
1 731 . 12 1 1 A 65 65 LEU H H 65 8.990 9.654 -0.664 1
1 732 . 12 1 1 A 65 65 LEU HA H 65 5.750 4.748 1.002 1
1 742 . 12 1 1 A 65 65 LEU CA C 65 52.900 53.654 -0.754 1
1 743 . 12 1 1 A 65 65 LEU CB C 65 43.600 44.017 -0.417 1
1 747 . 12 1 1 A 65 65 LEU N N 65 120.700 122.650 -1.950 1
1 748 . 12 1 1 A 66 66 THR H H 66 10.210 9.317 0.893 1
1 749 . 12 1 1 A 66 66 THR HA H 66 4.910 4.553 0.357 1
1 754 . 12 1 1 A 66 66 THR CA C 66 60.900 60.870 0.030 1
1 755 . 12 1 1 A 66 66 THR CB C 66 71.200 70.957 0.243 1
1 757 . 12 1 1 A 66 66 THR N N 66 116.300 118.527 -2.227 1
1 758 . 12 1 1 A 67 67 ALA H H 67 8.350 8.543 -0.193 1
1 759 . 12 1 1 A 67 67 ALA HA H 67 2.620 3.357 -0.737 1
1 763 . 12 1 1 A 67 67 ALA CA C 67 56.200 55.095 1.105 1
1 764 . 12 1 1 A 67 67 ALA CB C 67 18.000 17.735 0.265 1
1 765 . 12 1 1 A 67 67 ALA N N 67 122.000 123.354 -1.354 1
1 766 . 12 1 1 A 68 68 GLU H H 68 8.160 8.094 0.066 1
1 767 . 12 1 1 A 68 68 GLU HA H 68 4.180 4.307 -0.127 1
1 772 . 12 1 1 A 68 68 GLU CA C 68 60.500 59.425 1.075 1
1 773 . 12 1 1 A 68 68 GLU CB C 68 30.500 29.383 1.117 1
1 775 . 12 1 1 A 68 68 GLU N N 68 112.200 117.665 -5.465 1
1 776 . 12 1 1 A 69 69 GLU H H 69 7.280 7.763 -0.483 1
1 777 . 12 1 1 A 69 69 GLU HA H 69 4.030 4.029 0.001 1
1 782 . 12 1 1 A 69 69 GLU CA C 69 60.100 58.896 1.204 1
1 783 . 12 1 1 A 69 69 GLU CB C 69 31.800 29.328 2.472 1
1 785 . 12 1 1 A 69 69 GLU N N 69 117.400 120.319 -2.919 1
1 786 . 12 1 1 A 70 70 PHE H H 70 8.940 8.272 0.668 1
1 787 . 12 1 1 A 70 70 PHE HA H 70 4.130 4.097 0.033 1
1 795 . 12 1 1 A 70 70 PHE CA C 70 61.900 61.503 0.397 1
1 796 . 12 1 1 A 70 70 PHE CB C 70 39.900 39.274 0.626 1
1 800 . 12 1 1 A 70 70 PHE N N 70 119.000 121.789 -2.789 1
1 801 . 12 1 1 A 71 71 ILE H H 71 8.890 8.336 0.554 1
1 802 . 12 1 1 A 71 71 ILE HA H 71 3.380 3.696 -0.316 1
1 812 . 12 1 1 A 71 71 ILE CA C 71 65.800 65.445 0.355 1
1 813 . 12 1 1 A 71 71 ILE CB C 71 39.100 37.843 1.257 1
1 817 . 12 1 1 A 71 71 ILE N N 71 119.800 120.701 -0.901 1
1 818 . 12 1 1 A 72 72 LEU H H 72 7.810 8.155 -0.345 1
1 819 . 12 1 1 A 72 72 LEU HA H 72 4.040 4.046 -0.006 1
1 829 . 12 1 1 A 72 72 LEU CA C 72 58.300 58.005 0.295 1
1 830 . 12 1 1 A 72 72 LEU CB C 72 42.600 41.548 1.052 1
1 834 . 12 1 1 A 72 72 LEU N N 72 118.100 121.075 -2.975 1
1 835 . 12 1 1 A 73 73 ALA H H 73 8.340 8.339 0.001 1
1 836 . 12 1 1 A 73 73 ALA HA H 73 3.820 3.877 -0.057 1
1 840 . 12 1 1 A 73 73 ALA CA C 73 55.600 55.346 0.254 1
1 841 . 12 1 1 A 73 73 ALA CB C 73 17.600 18.355 -0.755 1
1 842 . 12 1 1 A 73 73 ALA N N 73 122.000 120.853 1.147 1
1 843 . 12 1 1 A 74 74 MET H H 74 7.840 8.107 -0.267 1
1 844 . 12 1 1 A 74 74 MET HA H 74 3.830 3.844 -0.014 1
1 852 . 12 1 1 A 74 74 MET CA C 74 55.400 58.400 -3.000 1
1 853 . 12 1 1 A 74 74 MET CB C 74 27.800 31.593 -3.793 1
1 856 . 12 1 1 A 74 74 MET N N 74 113.400 116.297 -2.897 1
1 857 . 12 1 1 A 75 75 HIS H H 75 8.340 8.069 0.271 1
1 858 . 12 1 1 A 75 75 HIS HA H 75 4.510 4.252 0.258 1
1 863 . 12 1 1 A 75 75 HIS CA C 75 60.000 59.629 0.371 1
1 864 . 12 1 1 A 75 75 HIS CB C 75 31.400 29.581 1.819 1
1 867 . 12 1 1 A 75 75 HIS N N 75 120.200 120.681 -0.481 1
1 868 . 12 1 1 A 76 76 LEU H H 76 8.750 8.161 0.589 1
1 869 . 12 1 1 A 76 76 LEU HA H 76 3.670 3.747 -0.077 1
1 879 . 12 1 1 A 76 76 LEU CA C 76 57.700 57.709 -0.009 1
1 880 . 12 1 1 A 76 76 LEU CB C 76 41.400 41.338 0.062 1
1 884 . 12 1 1 A 76 76 LEU N N 76 118.600 119.208 -0.608 1
1 885 . 12 1 1 A 77 77 ILE H H 77 7.980 8.357 -0.377 1
1 886 . 12 1 1 A 77 77 ILE HA H 77 3.470 3.336 0.134 1
1 896 . 12 1 1 A 77 77 ILE CA C 77 66.000 65.202 0.798 1
1 897 . 12 1 1 A 77 77 ILE CB C 77 36.500 37.541 -1.041 1
1 901 . 12 1 1 A 77 77 ILE N N 77 120.900 120.023 0.877 1
1 902 . 12 1 1 A 78 78 ASP H H 78 7.490 8.461 -0.971 1
1 903 . 12 1 1 A 78 78 ASP HA H 78 4.300 4.193 0.107 1
1 906 . 12 1 1 A 78 78 ASP CA C 78 57.900 57.504 0.396 1
1 907 . 12 1 1 A 78 78 ASP CB C 78 39.000 41.541 -2.541 1
1 908 . 12 1 1 A 78 78 ASP N N 78 121.500 120.280 1.220 1
1 909 . 12 1 1 A 79 79 VAL H H 79 8.380 7.961 0.419 1
1 910 . 12 1 1 A 79 79 VAL HA H 79 3.390 3.507 -0.117 1
1 918 . 12 1 1 A 79 79 VAL CA C 79 66.400 66.312 0.088 1
1 919 . 12 1 1 A 79 79 VAL CB C 79 31.700 31.458 0.242 1
1 922 . 12 1 1 A 79 79 VAL N N 79 122.400 118.917 3.483 1
1 923 . 12 1 1 A 80 80 ALA H H 80 8.730 8.450 0.280 1
1 924 . 12 1 1 A 80 80 ALA HA H 80 4.360 3.988 0.372 1
1 928 . 12 1 1 A 80 80 ALA CA C 80 54.800 55.225 -0.425 1
1 929 . 12 1 1 A 80 80 ALA CB C 80 18.100 17.879 0.221 1
1 930 . 12 1 1 A 80 80 ALA N N 80 125.200 122.166 3.034 1
1 931 . 12 1 1 A 81 81 MET H H 81 9.360 8.582 0.778 1
1 932 . 12 1 1 A 81 81 MET HA H 81 4.210 4.143 0.067 1
1 940 . 12 1 1 A 81 81 MET CA C 81 57.800 58.577 -0.777 1
1 941 . 12 1 1 A 81 81 MET CB C 81 31.800 32.675 -0.875 1
1 944 . 12 1 1 A 81 81 MET N N 81 119.600 117.114 2.486 1
1 945 . 12 1 1 A 82 82 SER H H 82 7.780 7.474 0.306 1
1 946 . 12 1 1 A 82 82 SER HA H 82 4.510 4.450 0.060 1
1 949 . 12 1 1 A 82 82 SER CA C 82 59.500 58.549 0.951 1
1 950 . 12 1 1 A 82 82 SER CB C 82 64.000 63.359 0.641 1
1 951 . 12 1 1 A 82 82 SER N N 82 114.000 110.351 3.649 1
1 952 . 12 1 1 A 83 83 GLY H H 83 7.910 7.989 -0.079 1
1 953 . 12 1 1 A 83 83 GLY HA2 H 83 3.700 3.938 -0.238 1
1 954 . 12 1 1 A 83 83 GLY HA3 H 83 4.350 3.943 0.407 1
1 955 . 12 1 1 A 83 83 GLY CA C 83 44.900 45.927 -1.027 1
1 956 . 12 1 1 A 83 83 GLY N N 83 109.400 111.098 -1.698 1
1 957 . 12 1 1 A 84 84 GLN H H 84 7.100 7.875 -0.775 1
1 958 . 12 1 1 A 84 84 GLN HA H 84 4.530 4.601 -0.071 1
1 965 . 12 1 1 A 84 84 GLN CA C 84 53.100 52.775 0.325 1
1 966 . 12 1 1 A 84 84 GLN CB C 84 29.000 29.199 -0.199 1
1 968 . 12 1 1 A 84 84 GLN N N 84 120.700 120.251 0.449 1
1 970 . 12 1 1 A 85 85 PRO HA H 85 4.360 4.627 -0.267 1
1 977 . 12 1 1 A 85 85 PRO CA C 85 61.800 62.375 -0.575 1
1 978 . 12 1 1 A 85 85 PRO CB C 85 31.800 32.437 -0.637 1
1 981 . 12 1 1 A 86 86 LEU H H 86 8.360 8.451 -0.091 1
1 982 . 12 1 1 A 86 86 LEU HA H 86 4.380 4.667 -0.287 1
1 992 . 12 1 1 A 86 86 LEU CA C 86 51.600 52.599 -0.999 1
1 993 . 12 1 1 A 86 86 LEU CB C 86 41.000 41.312 -0.312 1
1 997 . 12 1 1 A 86 86 LEU N N 86 121.700 123.184 -1.484 1
1 998 . 12 1 1 A 87 87 PRO HA H 87 4.740 4.696 0.044 1
1 1005 . 12 1 1 A 87 87 PRO CA C 87 60.800 61.519 -0.719 1
1 1006 . 12 1 1 A 87 87 PRO CB C 87 30.900 32.078 -1.178 1
1 1009 . 12 1 1 A 88 88 PRO HA H 88 4.330 4.409 -0.079 1
1 1016 . 12 1 1 A 88 88 PRO CA C 88 63.900 64.678 -0.778 1
1 1017 . 12 1 1 A 88 88 PRO CB C 88 31.700 32.230 -0.530 1
1 1020 . 12 1 1 A 89 89 VAL H H 89 6.840 7.614 -0.774 1
1 1021 . 12 1 1 A 89 89 VAL HA H 89 4.030 4.716 -0.686 1
1 1029 . 12 1 1 A 89 89 VAL CA C 89 59.300 60.362 -1.062 1
1 1030 . 12 1 1 A 89 89 VAL CB C 89 35.500 35.829 -0.329 1
1 1033 . 12 1 1 A 89 89 VAL N N 89 112.700 117.605 -4.905 1
1 1034 . 12 1 1 A 90 90 LEU H H 90 8.990 8.894 0.096 1
1 1035 . 12 1 1 A 90 90 LEU HA H 90 4.150 4.950 -0.800 1
1 1045 . 12 1 1 A 90 90 LEU CA C 90 53.500 51.703 1.797 1
1 1046 . 12 1 1 A 90 90 LEU CB C 90 42.200 44.792 -2.592 1
1 1050 . 12 1 1 A 90 90 LEU N N 90 127.800 129.393 -1.593 1
1 1051 . 12 1 1 A 91 91 PRO HA H 91 4.830 4.763 0.067 1
1 1058 . 12 1 1 A 91 91 PRO CA C 91 61.100 61.701 -0.601 1
1 1059 . 12 1 1 A 91 91 PRO CB C 91 31.300 32.329 -1.029 1
1 1062 . 12 1 1 A 92 92 PRO HA H 92 4.230 4.188 0.042 1
1 1069 . 12 1 1 A 92 92 PRO CA C 92 65.100 65.450 -0.350 1
1 1070 . 12 1 1 A 92 92 PRO CB C 92 31.800 32.213 -0.413 1
1 1073 . 12 1 1 A 93 93 GLU H H 93 10.180 8.704 1.476 1
1 1074 . 12 1 1 A 93 93 GLU HA H 93 4.300 4.085 0.215 1
1 1079 . 12 1 1 A 93 93 GLU CA C 93 58.700 59.115 -0.415 1
1 1080 . 12 1 1 A 93 93 GLU CB C 93 27.500 28.890 -1.390 1
1 1082 . 12 1 1 A 93 93 GLU N N 93 116.400 117.407 -1.007 1
1 1083 . 12 1 1 A 94 94 TYR H H 94 8.510 8.056 0.454 1
1 1084 . 12 1 1 A 94 94 TYR HA H 94 4.510 4.753 -0.243 1
1 1091 . 12 1 1 A 94 94 TYR CA C 94 60.100 59.131 0.969 1
1 1092 . 12 1 1 A 94 94 TYR CB C 94 39.600 39.063 0.537 1
1 1095 . 12 1 1 A 94 94 TYR N N 94 119.400 115.703 3.697 1
1 1096 . 12 1 1 A 95 95 ILE H H 95 7.800 7.224 0.576 1
1 1097 . 12 1 1 A 95 95 ILE HA H 95 3.940 4.304 -0.364 1
1 1107 . 12 1 1 A 95 95 ILE CA C 95 60.200 59.573 0.627 1
1 1108 . 12 1 1 A 95 95 ILE CB C 95 37.800 38.136 -0.336 1
1 1112 . 12 1 1 A 95 95 ILE N N 95 124.500 121.707 2.793 1
1 1113 . 12 1 1 A 96 96 PRO HA H 96 2.770 3.379 -0.609 1
1 1120 . 12 1 1 A 96 96 PRO CA C 96 60.700 61.235 -0.535 1
1 1121 . 12 1 1 A 96 96 PRO CB C 96 31.400 31.444 -0.044 1
1 1124 . 12 1 1 A 97 97 PRO HA H 97 3.680 4.136 -0.456 1
1 1131 . 12 1 1 A 97 97 PRO CA C 97 65.900 63.075 2.825 1
1 1132 . 12 1 1 A 97 97 PRO CB C 97 32.100 32.169 -0.069 1
1 1135 . 12 1 1 A 98 98 SER H H 98 9.160 8.506 0.654 1
1 1136 . 12 1 1 A 98 98 SER HA H 98 3.980 3.972 0.008 1
1 1139 . 12 1 1 A 98 98 SER CA C 98 60.900 60.869 0.031 1
1 1140 . 12 1 1 A 98 98 SER CB C 98 62.200 60.849 1.351 1
1 1141 . 12 1 1 A 98 98 SER N N 98 112.400 111.647 0.753 1
1 1142 . 12 1 1 A 99 99 PHE H H 99 7.950 8.601 -0.651 1
1 1143 . 12 1 1 A 99 99 PHE HA H 99 4.470 4.260 0.210 1
1 1151 . 12 1 1 A 99 99 PHE CA C 99 58.500 61.499 -2.999 1
1 1152 . 12 1 1 A 99 99 PHE CB C 99 40.100 38.060 2.040 1
1 1156 . 12 1 1 A 99 99 PHE N N 99 118.800 119.797 -0.997 1
1 1157 . 12 1 1 A 100 100 ARG H H 100 7.350 8.162 -0.812 1
1 1158 . 12 1 1 A 100 100 ARG HA H 100 4.270 4.112 0.158 1
1 1165 . 12 1 1 A 100 100 ARG CA C 100 56.600 59.127 -2.527 1
1 1166 . 12 1 1 A 100 100 ARG CB C 100 30.300 30.263 0.037 1
1 1169 . 12 1 1 A 100 100 ARG N N 100 120.200 120.105 0.095 1
1 1170 . 12 1 1 A 101 101 ARG H H 101 8.180 8.025 0.155 1
1 1171 . 12 1 1 A 101 101 ARG HA H 101 4.270 4.544 -0.274 1
1 1177 . 12 1 1 A 101 101 ARG CA C 101 56.700 55.082 1.618 1
1 1178 . 12 1 1 A 101 101 ARG CB C 101 30.700 30.372 0.328 1
1 1181 . 12 1 1 A 101 101 ARG N N 101 121.100 116.415 4.685 1
1 1182 . 12 1 1 A 102 102 VAL H H 102 8.160 8.059 0.101 1
1 1183 . 12 1 1 A 102 102 VAL HA H 102 4.080 4.489 -0.409 1
1 1191 . 12 1 1 A 102 102 VAL CA C 102 62.500 60.480 2.020 1
1 1192 . 12 1 1 A 102 102 VAL CB C 102 32.700 31.589 1.111 1
1 1195 . 12 1 1 A 102 102 VAL N N 102 121.500 117.630 3.870 1
1 1196 . 12 1 1 A 103 103 ARG H H 103 7.920 7.560 0.360 1
1 1197 . 12 1 1 A 103 103 ARG HA H 103 4.160 4.591 -0.431 1
1 1204 . 12 1 1 A 103 103 ARG CA C 103 57.300 55.526 1.774 1
1 1205 . 12 1 1 A 103 103 ARG CB C 103 31.600 31.016 0.584 1
1 1208 . 12 1 1 A 103 103 ARG N N 103 129.400 121.328 8.072 1
1 1209 . 12 1 1 A 104 104 LEU H H 104 8.190 8.979 -0.789 1
1 1210 . 12 1 1 A 104 104 LEU N N 104 122.800 126.059 -3.259 1
1 1211 . 12 1 1 A 105 105 GLU H H 105 8.220 8.972 -0.752 1
1 8 . 13 1 1 A 2 2 PRO HA H 2 4.430 4.522 -0.092 1
1 15 . 13 1 1 A 2 2 PRO CA C 2 62.800 63.082 -0.282 1
1 16 . 13 1 1 A 2 2 PRO CB C 2 31.900 31.869 0.031 1
1 19 . 13 1 1 A 3 3 VAL H H 3 8.130 8.530 -0.400 1
1 20 . 13 1 1 A 3 3 VAL HA H 3 4.030 4.511 -0.481 1
1 28 . 13 1 1 A 3 3 VAL CA C 3 62.200 61.176 1.024 1
1 29 . 13 1 1 A 3 3 VAL CB C 3 32.700 33.293 -0.593 1
1 32 . 13 1 1 A 3 3 VAL N N 3 120.100 124.201 -4.101 1
1 33 . 13 1 1 A 4 4 ALA H H 4 8.330 8.699 -0.369 1
1 34 . 13 1 1 A 4 4 ALA HA H 4 4.310 3.954 0.356 1
1 38 . 13 1 1 A 4 4 ALA CA C 4 52.100 54.046 -1.946 1
1 39 . 13 1 1 A 4 4 ALA CB C 4 19.400 17.909 1.491 1
1 40 . 13 1 1 A 4 4 ALA N N 4 127.300 126.456 0.844 1
1 41 . 13 1 1 A 5 5 GLU H H 5 8.290 7.949 0.341 1
1 42 . 13 1 1 A 5 5 GLU HA H 5 4.290 4.532 -0.242 1
1 47 . 13 1 1 A 5 5 GLU CA C 5 56.100 55.463 0.637 1
1 48 . 13 1 1 A 5 5 GLU CB C 5 30.500 31.141 -0.641 1
1 50 . 13 1 1 A 5 5 GLU N N 5 121.000 118.449 2.551 1
1 51 . 13 1 1 A 6 6 TRP H H 6 8.670 8.809 -0.139 1
1 52 . 13 1 1 A 6 6 TRP HA H 6 5.020 4.445 0.575 1
1 61 . 13 1 1 A 6 6 TRP CA C 6 54.500 58.080 -3.580 1
1 62 . 13 1 1 A 6 6 TRP CB C 6 30.100 27.930 2.170 1
1 68 . 13 1 1 A 6 6 TRP N N 6 124.900 128.144 -3.244 1
1 70 . 13 1 1 A 7 7 ALA H H 7 7.850 8.680 -0.830 1
1 71 . 13 1 1 A 7 7 ALA HA H 7 3.790 3.842 -0.052 1
1 75 . 13 1 1 A 7 7 ALA CA C 7 53.200 54.538 -1.338 1
1 76 . 13 1 1 A 7 7 ALA CB C 7 18.000 17.845 0.155 1
1 77 . 13 1 1 A 7 7 ALA N N 7 128.000 128.592 -0.592 1
1 78 . 13 1 1 A 8 8 VAL H H 8 5.280 6.930 -1.650 1
1 79 . 13 1 1 A 8 8 VAL HA H 8 2.850 3.823 -0.973 1
1 87 . 13 1 1 A 8 8 VAL CA C 8 59.700 60.045 -0.345 1
1 88 . 13 1 1 A 8 8 VAL CB C 8 31.600 31.982 -0.382 1
1 91 . 13 1 1 A 8 8 VAL N N 8 117.000 119.210 -2.210 1
1 92 . 13 1 1 A 9 9 PRO HA H 9 4.340 4.394 -0.054 1
1 99 . 13 1 1 A 9 9 PRO CA C 9 62.800 63.371 -0.571 1
1 100 . 13 1 1 A 9 9 PRO CB C 9 32.400 32.517 -0.117 1
1 103 . 13 1 1 A 10 10 GLN HA H 10 3.710 3.977 -0.267 1
1 110 . 13 1 1 A 10 10 GLN CA C 10 60.100 58.569 1.531 1
1 111 . 13 1 1 A 10 10 GLN CB C 10 28.000 28.123 -0.123 1
1 114 . 13 1 1 A 11 11 SER HA H 11 4.070 4.124 -0.054 1
1 117 . 13 1 1 A 11 11 SER CA C 11 61.400 61.851 -0.451 1
1 118 . 13 1 1 A 11 11 SER CB C 11 61.400 62.711 -1.311 1
1 119 . 13 1 1 A 12 12 SER H H 12 7.070 7.974 -0.904 1
1 120 . 13 1 1 A 12 12 SER HA H 12 3.990 4.027 -0.037 1
1 123 . 13 1 1 A 12 12 SER CA C 12 61.500 61.050 0.450 1
1 124 . 13 1 1 A 12 12 SER CB C 12 61.500 62.949 -1.449 1
1 125 . 13 1 1 A 12 12 SER N N 12 119.300 117.093 2.207 1
1 126 . 13 1 1 A 13 13 ARG H H 13 8.000 8.165 -0.165 1
1 127 . 13 1 1 A 13 13 ARG HA H 13 3.930 4.040 -0.110 1
1 134 . 13 1 1 A 13 13 ARG CA C 13 59.800 58.751 1.049 1
1 135 . 13 1 1 A 13 13 ARG CB C 13 30.300 29.526 0.774 1
1 138 . 13 1 1 A 13 13 ARG N N 13 121.600 119.995 1.605 1
1 139 . 13 1 1 A 14 14 LEU H H 14 7.710 8.498 -0.788 1
1 140 . 13 1 1 A 14 14 LEU HA H 14 4.120 4.027 0.093 1
1 150 . 13 1 1 A 14 14 LEU CA C 14 57.900 57.805 0.095 1
1 151 . 13 1 1 A 14 14 LEU CB C 14 41.900 41.429 0.471 1
1 155 . 13 1 1 A 14 14 LEU N N 14 117.100 121.152 -4.052 1
1 156 . 13 1 1 A 15 15 LYS H H 15 7.450 7.760 -0.310 1
1 157 . 13 1 1 A 15 15 LYS HA H 15 4.050 3.895 0.155 1
1 166 . 13 1 1 A 15 15 LYS CA C 15 59.100 59.050 0.050 1
1 167 . 13 1 1 A 15 15 LYS CB C 15 33.000 32.224 0.776 1
1 171 . 13 1 1 A 15 15 LYS N N 15 118.800 120.438 -1.638 1
1 172 . 13 1 1 A 16 16 TYR H H 16 8.640 7.380 1.260 1
1 173 . 13 1 1 A 16 16 TYR HA H 16 5.130 4.570 0.560 1
1 180 . 13 1 1 A 16 16 TYR CA C 16 58.900 61.026 -2.126 1
1 181 . 13 1 1 A 16 16 TYR CB C 16 37.100 37.697 -0.597 1
1 184 . 13 1 1 A 16 16 TYR N N 16 117.800 118.867 -1.067 1
1 185 . 13 1 1 A 17 17 ARG H H 17 8.470 8.424 0.046 1
1 186 . 13 1 1 A 17 17 ARG HA H 17 4.230 4.131 0.099 1
1 193 . 13 1 1 A 17 17 ARG CA C 17 59.700 59.161 0.539 1
1 194 . 13 1 1 A 17 17 ARG CB C 17 29.800 29.515 0.285 1
1 197 . 13 1 1 A 17 17 ARG N N 17 124.000 121.850 2.150 1
1 198 . 13 1 1 A 18 18 GLN H H 18 7.740 7.812 -0.072 1
1 199 . 13 1 1 A 18 18 GLN HA H 18 4.190 4.271 -0.081 1
1 206 . 13 1 1 A 18 18 GLN CA C 18 59.300 57.466 1.834 1
1 207 . 13 1 1 A 18 18 GLN CB C 18 27.900 29.075 -1.175 1
1 209 . 13 1 1 A 18 18 GLN N N 18 118.000 116.596 1.404 1
1 211 . 13 1 1 A 19 19 LEU H H 19 7.770 7.783 -0.013 1
1 212 . 13 1 1 A 19 19 LEU HA H 19 4.400 4.742 -0.342 1
1 222 . 13 1 1 A 19 19 LEU CA C 19 58.000 53.829 4.171 1
1 223 . 13 1 1 A 19 19 LEU CB C 19 42.800 43.334 -0.534 1
1 227 . 13 1 1 A 19 19 LEU N N 19 120.500 121.776 -1.276 1
1 228 . 13 1 1 A 20 20 PHE H H 20 8.710 7.968 0.742 1
1 229 . 13 1 1 A 20 20 PHE HA H 20 3.330 3.552 -0.222 1
1 237 . 13 1 1 A 20 20 PHE CA C 20 62.400 61.986 0.414 1
1 238 . 13 1 1 A 20 20 PHE CB C 20 38.500 39.087 -0.587 1
1 242 . 13 1 1 A 20 20 PHE N N 20 121.900 121.779 0.121 1
1 243 . 13 1 1 A 21 21 ASN H H 21 8.770 8.960 -0.190 1
1 244 . 13 1 1 A 21 21 ASN HA H 21 4.380 4.526 -0.146 1
1 249 . 13 1 1 A 21 21 ASN CA C 21 55.400 56.629 -1.229 1
1 250 . 13 1 1 A 21 21 ASN CB C 21 37.600 39.092 -1.492 1
1 251 . 13 1 1 A 21 21 ASN N N 21 117.300 117.762 -0.462 1
1 253 . 13 1 1 A 22 22 SER H H 22 7.900 8.715 -0.815 1
1 254 . 13 1 1 A 22 22 SER HA H 22 4.180 4.190 -0.010 1
1 257 . 13 1 1 A 22 22 SER CA C 22 60.700 60.442 0.258 1
1 258 . 13 1 1 A 22 22 SER CB C 22 62.900 63.205 -0.305 1
1 259 . 13 1 1 A 22 22 SER N N 22 114.800 114.035 0.765 1
1 260 . 13 1 1 A 23 23 HIS H H 23 7.310 8.103 -0.793 1
1 261 . 13 1 1 A 23 23 HIS HA H 23 4.480 4.376 0.104 1
1 266 . 13 1 1 A 23 23 HIS CA C 23 58.000 57.165 0.835 1
1 267 . 13 1 1 A 23 23 HIS CB C 23 32.400 30.033 2.367 1
1 270 . 13 1 1 A 23 23 HIS N N 23 118.900 116.990 1.910 1
1 271 . 13 1 1 A 24 24 ASP H H 24 7.870 7.451 0.419 1
1 272 . 13 1 1 A 24 24 ASP HA H 24 4.850 4.567 0.283 1
1 275 . 13 1 1 A 24 24 ASP CA C 24 52.100 53.388 -1.288 1
1 276 . 13 1 1 A 24 24 ASP CB C 24 38.500 42.377 -3.877 1
1 277 . 13 1 1 A 24 24 ASP N N 24 122.400 121.296 1.104 1
1 278 . 13 1 1 A 25 25 LYS H H 25 7.900 8.291 -0.391 1
1 279 . 13 1 1 A 25 25 LYS HA H 25 4.070 4.517 -0.447 1
1 288 . 13 1 1 A 25 25 LYS CA C 25 58.600 55.371 3.229 1
1 289 . 13 1 1 A 25 25 LYS CB C 25 32.600 31.412 1.188 1
1 293 . 13 1 1 A 25 25 LYS N N 25 122.400 123.055 -0.655 1
1 294 . 13 1 1 A 26 26 THR H H 26 8.120 8.059 0.061 1
1 295 . 13 1 1 A 26 26 THR HA H 26 4.340 4.024 0.316 1
1 300 . 13 1 1 A 26 26 THR CA C 26 61.000 63.242 -2.242 1
1 301 . 13 1 1 A 26 26 THR CB C 26 69.100 66.565 2.535 1
1 303 . 13 1 1 A 26 26 THR N N 26 106.400 112.905 -6.505 1
1 304 . 13 1 1 A 27 27 MET H H 27 8.030 7.861 0.169 1
1 305 . 13 1 1 A 27 27 MET HA H 27 3.980 4.769 -0.789 1
1 310 . 13 1 1 A 27 27 MET CA C 27 56.600 54.648 1.952 1
1 311 . 13 1 1 A 27 27 MET CB C 27 29.100 33.747 -4.647 1
1 313 . 13 1 1 A 27 27 MET N N 27 119.600 119.364 0.236 1
1 314 . 13 1 1 A 28 28 SER H H 28 9.520 7.939 1.581 1
1 315 . 13 1 1 A 28 28 SER HA H 28 4.250 4.341 -0.091 1
1 318 . 13 1 1 A 28 28 SER CA C 28 60.500 59.488 1.012 1
1 319 . 13 1 1 A 28 28 SER CB C 28 64.400 64.324 0.076 1
1 320 . 13 1 1 A 28 28 SER N N 28 118.600 113.915 4.685 1
1 321 . 13 1 1 A 29 29 GLY H H 29 10.710 9.018 1.692 1
1 322 . 13 1 1 A 29 29 GLY HA2 H 29 4.380 3.986 0.394 1
1 323 . 13 1 1 A 29 29 GLY HA3 H 29 3.690 4.030 -0.340 1
1 324 . 13 1 1 A 29 29 GLY CA C 29 45.200 45.681 -0.481 1
1 325 . 13 1 1 A 29 29 GLY N N 29 113.800 109.638 4.162 1
1 326 . 13 1 1 A 30 30 HIS H H 30 7.870 7.385 0.485 1
1 327 . 13 1 1 A 30 30 HIS HA H 30 5.520 5.412 0.108 1
1 332 . 13 1 1 A 30 30 HIS CA C 30 55.800 54.572 1.228 1
1 333 . 13 1 1 A 30 30 HIS CB C 30 32.800 31.925 0.875 1
1 336 . 13 1 1 A 30 30 HIS N N 30 115.700 114.368 1.332 1
1 337 . 13 1 1 A 31 31 LEU H H 31 9.140 10.004 -0.864 1
1 338 . 13 1 1 A 31 31 LEU HA H 31 4.840 4.809 0.031 1
1 348 . 13 1 1 A 31 31 LEU CA C 31 52.900 53.853 -0.953 1
1 349 . 13 1 1 A 31 31 LEU CB C 31 44.200 43.781 0.419 1
1 353 . 13 1 1 A 31 31 LEU N N 31 117.200 121.648 -4.448 1
1 354 . 13 1 1 A 32 32 THR H H 32 8.680 8.493 0.187 1
1 355 . 13 1 1 A 32 32 THR HA H 32 4.340 4.732 -0.392 1
1 360 . 13 1 1 A 32 32 THR CA C 32 61.500 60.511 0.989 1
1 361 . 13 1 1 A 32 32 THR CB C 32 70.200 71.130 -0.930 1
1 363 . 13 1 1 A 32 32 THR N N 32 113.400 115.483 -2.083 1
1 364 . 13 1 1 A 33 33 GLY H H 33 9.090 8.920 0.170 1
1 365 . 13 1 1 A 33 33 GLY HA2 H 33 3.970 3.960 0.010 1
1 366 . 13 1 1 A 33 33 GLY HA3 H 33 4.070 4.180 -0.110 1
1 367 . 13 1 1 A 33 33 GLY CA C 33 49.300 48.420 0.880 1
1 368 . 13 1 1 A 33 33 GLY N N 33 108.000 109.588 -1.588 1
1 369 . 13 1 1 A 34 34 PRO HA H 34 4.110 4.228 -0.118 1
1 376 . 13 1 1 A 34 34 PRO CA C 34 65.400 65.641 -0.241 1
1 377 . 13 1 1 A 34 34 PRO CB C 34 32.200 30.890 1.310 1
1 380 . 13 1 1 A 35 35 GLN H H 35 7.240 7.850 -0.610 1
1 381 . 13 1 1 A 35 35 GLN HA H 35 4.040 4.072 -0.032 1
1 388 . 13 1 1 A 35 35 GLN CA C 35 58.200 59.195 -0.995 1
1 389 . 13 1 1 A 35 35 GLN CB C 35 29.800 28.421 1.379 1
1 391 . 13 1 1 A 35 35 GLN N N 35 116.700 117.430 -0.730 1
1 393 . 13 1 1 A 36 36 ALA H H 36 9.180 8.701 0.479 1
1 394 . 13 1 1 A 36 36 ALA HA H 36 4.080 4.390 -0.310 1
1 398 . 13 1 1 A 36 36 ALA CA C 36 54.900 55.420 -0.520 1
1 399 . 13 1 1 A 36 36 ALA CB C 36 18.900 18.463 0.437 1
1 400 . 13 1 1 A 36 36 ALA N N 36 120.000 122.190 -2.190 1
1 401 . 13 1 1 A 37 37 ARG H H 37 9.060 8.696 0.364 1
1 402 . 13 1 1 A 37 37 ARG HA H 37 3.860 3.981 -0.121 1
1 409 . 13 1 1 A 37 37 ARG CA C 37 61.000 59.913 1.087 1
1 410 . 13 1 1 A 37 37 ARG CB C 37 29.900 30.240 -0.340 1
1 413 . 13 1 1 A 37 37 ARG N N 37 117.200 116.873 0.327 1
1 414 . 13 1 1 A 38 38 THR H H 38 7.620 8.416 -0.796 1
1 415 . 13 1 1 A 38 38 THR HA H 38 3.920 3.953 -0.033 1
1 420 . 13 1 1 A 38 38 THR CA C 38 66.900 66.903 -0.003 1
1 421 . 13 1 1 A 38 38 THR CB C 38 68.800 67.854 0.946 1
1 423 . 13 1 1 A 38 38 THR N N 38 114.600 118.772 -4.172 1
1 424 . 13 1 1 A 39 39 ILE H H 39 7.180 7.724 -0.544 1
1 425 . 13 1 1 A 39 39 ILE HA H 39 3.730 3.697 0.033 1
1 435 . 13 1 1 A 39 39 ILE CA C 39 64.900 64.056 0.844 1
1 436 . 13 1 1 A 39 39 ILE CB C 39 39.000 37.419 1.581 1
1 440 . 13 1 1 A 39 39 ILE N N 39 121.500 121.665 -0.165 1
1 441 . 13 1 1 A 40 40 LEU H H 40 8.480 8.369 0.111 1
1 442 . 13 1 1 A 40 40 LEU HA H 40 3.870 3.881 -0.011 1
1 452 . 13 1 1 A 40 40 LEU CA C 40 58.500 57.885 0.615 1
1 453 . 13 1 1 A 40 40 LEU CB C 40 40.800 41.518 -0.718 1
1 457 . 13 1 1 A 40 40 LEU N N 40 119.900 120.047 -0.147 1
1 458 . 13 1 1 A 41 41 MET H H 41 8.160 8.594 -0.434 1
1 459 . 13 1 1 A 41 41 MET HA H 41 4.200 4.127 0.073 1
1 464 . 13 1 1 A 41 41 MET CA C 41 57.700 58.468 -0.768 1
1 465 . 13 1 1 A 41 41 MET CB C 41 32.500 31.371 1.129 1
1 467 . 13 1 1 A 41 41 MET N N 41 115.300 116.719 -1.419 1
1 468 . 13 1 1 A 42 42 GLN H H 42 7.600 7.536 0.064 1
1 469 . 13 1 1 A 42 42 GLN HA H 42 4.230 4.253 -0.023 1
1 476 . 13 1 1 A 42 42 GLN CA C 42 57.200 57.977 -0.777 1
1 477 . 13 1 1 A 42 42 GLN CB C 42 27.900 28.541 -0.641 1
1 479 . 13 1 1 A 42 42 GLN N N 42 118.900 118.724 0.176 1
1 481 . 13 1 1 A 43 43 SER H H 43 7.670 7.679 -0.009 1
1 482 . 13 1 1 A 43 43 SER HA H 43 4.300 4.319 -0.019 1
1 485 . 13 1 1 A 43 43 SER CA C 43 59.800 59.351 0.449 1
1 486 . 13 1 1 A 43 43 SER CB C 43 65.200 64.055 1.145 1
1 487 . 13 1 1 A 43 43 SER N N 43 113.900 113.591 0.309 1
1 488 . 13 1 1 A 44 44 SER H H 44 8.040 7.984 0.056 1
1 489 . 13 1 1 A 44 44 SER HA H 44 4.300 4.202 0.098 1
1 492 . 13 1 1 A 44 44 SER CA C 44 59.400 59.836 -0.436 1
1 493 . 13 1 1 A 44 44 SER CB C 44 62.500 61.249 1.251 1
1 494 . 13 1 1 A 44 44 SER N N 44 113.500 112.725 0.775 1
1 495 . 13 1 1 A 45 45 LEU H H 45 7.430 7.454 -0.024 1
1 496 . 13 1 1 A 45 45 LEU HA H 45 4.470 4.358 0.112 1
1 506 . 13 1 1 A 45 45 LEU CA C 45 53.300 53.266 0.034 1
1 507 . 13 1 1 A 45 45 LEU CB C 45 41.700 41.531 0.169 1
1 511 . 13 1 1 A 45 45 LEU N N 45 121.900 122.241 -0.341 1
1 512 . 13 1 1 A 46 46 PRO HA H 46 4.460 4.526 -0.066 1
1 519 . 13 1 1 A 46 46 PRO CA C 46 62.500 62.710 -0.210 1
1 520 . 13 1 1 A 46 46 PRO CB C 46 32.500 32.632 -0.132 1
1 523 . 13 1 1 A 47 47 GLN H H 47 8.820 8.979 -0.159 1
1 524 . 13 1 1 A 47 47 GLN HA H 47 3.870 3.942 -0.072 1
1 531 . 13 1 1 A 47 47 GLN CA C 47 59.600 59.071 0.529 1
1 532 . 13 1 1 A 47 47 GLN CB C 47 28.100 28.208 -0.108 1
1 534 . 13 1 1 A 47 47 GLN N N 47 123.400 122.832 0.568 1
1 536 . 13 1 1 A 48 48 ALA H H 48 9.000 8.271 0.729 1
1 537 . 13 1 1 A 48 48 ALA HA H 48 4.150 4.061 0.089 1
1 541 . 13 1 1 A 48 48 ALA CA C 48 55.200 54.902 0.298 1
1 542 . 13 1 1 A 48 48 ALA CB C 48 18.200 18.534 -0.334 1
1 543 . 13 1 1 A 48 48 ALA N N 48 119.800 121.872 -2.072 1
1 544 . 13 1 1 A 49 49 GLN H H 49 7.190 7.712 -0.522 1
1 545 . 13 1 1 A 49 49 GLN HA H 49 4.230 4.061 0.169 1
1 552 . 13 1 1 A 49 49 GLN CA C 49 58.600 58.889 -0.289 1
1 553 . 13 1 1 A 49 49 GLN CB C 49 29.400 28.464 0.936 1
1 555 . 13 1 1 A 49 49 GLN N N 49 115.800 117.962 -2.162 1
1 557 . 13 1 1 A 50 50 LEU H H 50 7.800 8.194 -0.394 1
1 558 . 13 1 1 A 50 50 LEU HA H 50 3.930 3.981 -0.051 1
1 568 . 13 1 1 A 50 50 LEU CA C 50 57.900 57.944 -0.044 1
1 569 . 13 1 1 A 50 50 LEU CB C 50 41.100 41.617 -0.517 1
1 573 . 13 1 1 A 50 50 LEU N N 50 119.800 119.943 -0.143 1
1 574 . 13 1 1 A 51 51 ALA H H 51 8.410 8.681 -0.271 1
1 575 . 13 1 1 A 51 51 ALA HA H 51 4.210 4.122 0.088 1
1 579 . 13 1 1 A 51 51 ALA CA C 51 55.100 55.293 -0.193 1
1 580 . 13 1 1 A 51 51 ALA CB C 51 17.500 17.955 -0.455 1
1 581 . 13 1 1 A 51 51 ALA N N 51 122.600 122.233 0.367 1
1 582 . 13 1 1 A 52 52 SER H H 52 7.530 7.456 0.074 1
1 583 . 13 1 1 A 52 52 SER HA H 52 4.310 4.236 0.074 1
1 586 . 13 1 1 A 52 52 SER CA C 52 62.200 61.558 0.642 1
1 587 . 13 1 1 A 52 52 SER CB C 52 62.600 62.992 -0.392 1
1 588 . 13 1 1 A 52 52 SER N N 52 115.300 113.145 2.155 1
1 589 . 13 1 1 A 53 53 ILE H H 53 8.270 8.156 0.114 1
1 590 . 13 1 1 A 53 53 ILE HA H 53 3.430 3.676 -0.246 1
1 600 . 13 1 1 A 53 53 ILE CA C 53 66.300 65.101 1.199 1
1 601 . 13 1 1 A 53 53 ILE CB C 53 37.900 37.660 0.240 1
1 605 . 13 1 1 A 53 53 ILE N N 53 122.000 121.430 0.570 1
1 606 . 13 1 1 A 54 54 TRP H H 54 8.480 8.548 -0.068 1
1 607 . 13 1 1 A 54 54 TRP HA H 54 3.720 4.099 -0.379 1
1 616 . 13 1 1 A 54 54 TRP CA C 54 61.400 60.652 0.748 1
1 617 . 13 1 1 A 54 54 TRP CB C 54 28.100 29.343 -1.243 1
1 623 . 13 1 1 A 54 54 TRP N N 54 122.100 121.840 0.260 1
1 625 . 13 1 1 A 55 55 ASN H H 55 7.860 8.425 -0.565 1
1 626 . 13 1 1 A 55 55 ASN HA H 55 4.350 4.478 -0.128 1
1 631 . 13 1 1 A 55 55 ASN CA C 55 55.900 56.348 -0.448 1
1 632 . 13 1 1 A 55 55 ASN CB C 55 38.500 40.013 -1.513 1
1 633 . 13 1 1 A 55 55 ASN N N 55 113.900 118.088 -4.188 1
1 635 . 13 1 1 A 56 56 LEU H H 56 8.020 8.114 -0.094 1
1 636 . 13 1 1 A 56 56 LEU HA H 56 3.990 4.075 -0.085 1
1 646 . 13 1 1 A 56 56 LEU CA C 56 56.700 57.801 -1.101 1
1 647 . 13 1 1 A 56 56 LEU CB C 56 43.900 41.320 2.580 1
1 651 . 13 1 1 A 56 56 LEU N N 56 117.500 119.709 -2.209 1
1 652 . 13 1 1 A 57 57 SER H H 57 7.280 7.992 -0.712 1
1 653 . 13 1 1 A 57 57 SER HA H 57 4.290 4.185 0.105 1
1 656 . 13 1 1 A 57 57 SER CA C 57 61.100 61.077 0.023 1
1 657 . 13 1 1 A 57 57 SER CB C 57 64.000 62.787 1.213 1
1 658 . 13 1 1 A 57 57 SER N N 57 111.100 113.418 -2.318 1
1 659 . 13 1 1 A 58 58 ASP H H 58 7.030 8.001 -0.971 1
1 660 . 13 1 1 A 58 58 ASP HA H 58 4.650 4.291 0.359 1
1 663 . 13 1 1 A 58 58 ASP CA C 58 51.400 53.493 -2.093 1
1 664 . 13 1 1 A 58 58 ASP CB C 58 37.200 40.120 -2.920 1
1 665 . 13 1 1 A 58 58 ASP N N 58 115.600 119.946 -4.346 1
1 666 . 13 1 1 A 59 59 ILE H H 59 8.630 8.122 0.508 1
1 667 . 13 1 1 A 59 59 ILE HA H 59 3.260 3.909 -0.649 1
1 677 . 13 1 1 A 59 59 ILE CA C 59 62.900 63.825 -0.925 1
1 678 . 13 1 1 A 59 59 ILE CB C 59 36.600 37.723 -1.123 1
1 682 . 13 1 1 A 59 59 ILE N N 59 128.500 125.474 3.026 1
1 683 . 13 1 1 A 60 60 ASP H H 60 7.960 7.254 0.706 1
1 684 . 13 1 1 A 60 60 ASP HA H 60 4.480 4.833 -0.353 1
1 687 . 13 1 1 A 60 60 ASP CA C 60 52.300 52.729 -0.429 1
1 688 . 13 1 1 A 60 60 ASP CB C 60 39.100 40.960 -1.860 1
1 689 . 13 1 1 A 60 60 ASP N N 60 113.200 120.208 -7.008 1
1 690 . 13 1 1 A 61 61 GLN H H 61 7.550 7.995 -0.445 1
1 691 . 13 1 1 A 61 61 GLN HA H 61 3.800 4.013 -0.213 1
1 698 . 13 1 1 A 61 61 GLN CA C 61 57.100 56.868 0.232 1
1 699 . 13 1 1 A 61 61 GLN CB C 61 26.400 26.466 -0.066 1
1 701 . 13 1 1 A 61 61 GLN N N 61 113.800 116.355 -2.555 1
1 703 . 13 1 1 A 62 62 ASP H H 62 8.390 8.023 0.367 1
1 704 . 13 1 1 A 62 62 ASP HA H 62 4.720 4.768 -0.048 1
1 707 . 13 1 1 A 62 62 ASP CA C 62 52.800 54.213 -1.413 1
1 708 . 13 1 1 A 62 62 ASP CB C 62 41.000 41.471 -0.471 1
1 709 . 13 1 1 A 62 62 ASP N N 62 117.700 118.532 -0.832 1
1 710 . 13 1 1 A 63 63 GLY H H 63 10.840 9.347 1.493 1
1 711 . 13 1 1 A 63 63 GLY HA2 H 63 4.310 4.039 0.271 1
1 712 . 13 1 1 A 63 63 GLY HA3 H 63 3.880 4.313 -0.433 1
1 713 . 13 1 1 A 63 63 GLY CA C 63 46.200 45.937 0.263 1
1 714 . 13 1 1 A 63 63 GLY N N 63 114.200 108.014 6.186 1
1 715 . 13 1 1 A 64 64 LYS H H 64 8.070 7.880 0.190 1
1 716 . 13 1 1 A 64 64 LYS HA H 64 5.030 5.128 -0.098 1
1 725 . 13 1 1 A 64 64 LYS CA C 64 54.200 54.126 0.074 1
1 726 . 13 1 1 A 64 64 LYS CB C 64 36.100 36.163 -0.063 1
1 730 . 13 1 1 A 64 64 LYS N N 64 117.400 119.977 -2.577 1
1 731 . 13 1 1 A 65 65 LEU H H 65 8.990 9.302 -0.312 1
1 732 . 13 1 1 A 65 65 LEU HA H 65 5.750 4.900 0.850 1
1 742 . 13 1 1 A 65 65 LEU CA C 65 52.900 53.730 -0.830 1
1 743 . 13 1 1 A 65 65 LEU CB C 65 43.600 44.083 -0.483 1
1 747 . 13 1 1 A 65 65 LEU N N 65 120.700 123.223 -2.523 1
1 748 . 13 1 1 A 66 66 THR H H 66 10.210 9.459 0.751 1
1 749 . 13 1 1 A 66 66 THR HA H 66 4.910 4.713 0.197 1
1 754 . 13 1 1 A 66 66 THR CA C 66 60.900 61.107 -0.207 1
1 755 . 13 1 1 A 66 66 THR CB C 66 71.200 71.037 0.163 1
1 757 . 13 1 1 A 66 66 THR N N 66 116.300 118.522 -2.222 1
1 758 . 13 1 1 A 67 67 ALA H H 67 8.350 8.685 -0.335 1
1 759 . 13 1 1 A 67 67 ALA HA H 67 2.620 3.475 -0.855 1
1 763 . 13 1 1 A 67 67 ALA CA C 67 56.200 55.165 1.035 1
1 764 . 13 1 1 A 67 67 ALA CB C 67 18.000 17.691 0.309 1
1 765 . 13 1 1 A 67 67 ALA N N 67 122.000 123.755 -1.755 1
1 766 . 13 1 1 A 68 68 GLU H H 68 8.160 8.143 0.017 1
1 767 . 13 1 1 A 68 68 GLU HA H 68 4.180 4.317 -0.137 1
1 772 . 13 1 1 A 68 68 GLU CA C 68 60.500 59.692 0.808 1
1 773 . 13 1 1 A 68 68 GLU CB C 68 30.500 29.116 1.384 1
1 775 . 13 1 1 A 68 68 GLU N N 68 112.200 118.097 -5.897 1
1 776 . 13 1 1 A 69 69 GLU H H 69 7.280 7.286 -0.006 1
1 777 . 13 1 1 A 69 69 GLU HA H 69 4.030 3.908 0.122 1
1 782 . 13 1 1 A 69 69 GLU CA C 69 60.100 58.948 1.152 1
1 783 . 13 1 1 A 69 69 GLU CB C 69 31.800 29.367 2.433 1
1 785 . 13 1 1 A 69 69 GLU N N 69 117.400 120.507 -3.107 1
1 786 . 13 1 1 A 70 70 PHE H H 70 8.940 8.443 0.497 1
1 787 . 13 1 1 A 70 70 PHE HA H 70 4.130 4.093 0.037 1
1 795 . 13 1 1 A 70 70 PHE CA C 70 61.900 61.133 0.767 1
1 796 . 13 1 1 A 70 70 PHE CB C 70 39.900 39.618 0.282 1
1 800 . 13 1 1 A 70 70 PHE N N 70 119.000 121.583 -2.583 1
1 801 . 13 1 1 A 71 71 ILE H H 71 8.890 8.616 0.274 1
1 802 . 13 1 1 A 71 71 ILE HA H 71 3.380 3.828 -0.448 1
1 812 . 13 1 1 A 71 71 ILE CA C 71 65.800 65.497 0.303 1
1 813 . 13 1 1 A 71 71 ILE CB C 71 39.100 38.146 0.954 1
1 817 . 13 1 1 A 71 71 ILE N N 71 119.800 120.209 -0.409 1
1 818 . 13 1 1 A 72 72 LEU H H 72 7.810 8.209 -0.399 1
1 819 . 13 1 1 A 72 72 LEU HA H 72 4.040 4.052 -0.012 1
1 829 . 13 1 1 A 72 72 LEU CA C 72 58.300 57.954 0.346 1
1 830 . 13 1 1 A 72 72 LEU CB C 72 42.600 41.590 1.010 1
1 834 . 13 1 1 A 72 72 LEU N N 72 118.100 121.155 -3.055 1
1 835 . 13 1 1 A 73 73 ALA H H 73 8.340 7.981 0.359 1
1 836 . 13 1 1 A 73 73 ALA HA H 73 3.820 3.933 -0.113 1
1 840 . 13 1 1 A 73 73 ALA CA C 73 55.600 55.295 0.305 1
1 841 . 13 1 1 A 73 73 ALA CB C 73 17.600 18.215 -0.615 1
1 842 . 13 1 1 A 73 73 ALA N N 73 122.000 120.979 1.021 1
1 843 . 13 1 1 A 74 74 MET H H 74 7.840 7.977 -0.137 1
1 844 . 13 1 1 A 74 74 MET HA H 74 3.830 3.771 0.059 1
1 852 . 13 1 1 A 74 74 MET CA C 74 55.400 58.204 -2.804 1
1 853 . 13 1 1 A 74 74 MET CB C 74 27.800 31.478 -3.678 1
1 856 . 13 1 1 A 74 74 MET N N 74 113.400 116.336 -2.936 1
1 857 . 13 1 1 A 75 75 HIS H H 75 8.340 7.532 0.808 1
1 858 . 13 1 1 A 75 75 HIS HA H 75 4.510 4.048 0.462 1
1 863 . 13 1 1 A 75 75 HIS CA C 75 60.000 59.067 0.933 1
1 864 . 13 1 1 A 75 75 HIS CB C 75 31.400 30.067 1.333 1
1 867 . 13 1 1 A 75 75 HIS N N 75 120.200 120.354 -0.154 1
1 868 . 13 1 1 A 76 76 LEU H H 76 8.750 8.190 0.560 1
1 869 . 13 1 1 A 76 76 LEU HA H 76 3.670 3.702 -0.032 1
1 879 . 13 1 1 A 76 76 LEU CA C 76 57.700 57.701 -0.001 1
1 880 . 13 1 1 A 76 76 LEU CB C 76 41.400 41.442 -0.042 1
1 884 . 13 1 1 A 76 76 LEU N N 76 118.600 119.603 -1.003 1
1 885 . 13 1 1 A 77 77 ILE H H 77 7.980 8.018 -0.038 1
1 886 . 13 1 1 A 77 77 ILE HA H 77 3.470 3.341 0.129 1
1 896 . 13 1 1 A 77 77 ILE CA C 77 66.000 65.541 0.459 1
1 897 . 13 1 1 A 77 77 ILE CB C 77 36.500 37.855 -1.355 1
1 901 . 13 1 1 A 77 77 ILE N N 77 120.900 120.210 0.690 1
1 902 . 13 1 1 A 78 78 ASP H H 78 7.490 8.184 -0.694 1
1 903 . 13 1 1 A 78 78 ASP HA H 78 4.300 4.221 0.079 1
1 906 . 13 1 1 A 78 78 ASP CA C 78 57.900 57.562 0.338 1
1 907 . 13 1 1 A 78 78 ASP CB C 78 39.000 41.668 -2.668 1
1 908 . 13 1 1 A 78 78 ASP N N 78 121.500 120.368 1.132 1
1 909 . 13 1 1 A 79 79 VAL H H 79 8.380 7.971 0.409 1
1 910 . 13 1 1 A 79 79 VAL HA H 79 3.390 3.491 -0.101 1
1 918 . 13 1 1 A 79 79 VAL CA C 79 66.400 66.434 -0.034 1
1 919 . 13 1 1 A 79 79 VAL CB C 79 31.700 31.505 0.195 1
1 922 . 13 1 1 A 79 79 VAL N N 79 122.400 118.680 3.720 1
1 923 . 13 1 1 A 80 80 ALA H H 80 8.730 8.206 0.524 1
1 924 . 13 1 1 A 80 80 ALA HA H 80 4.360 4.028 0.332 1
1 928 . 13 1 1 A 80 80 ALA CA C 80 54.800 54.973 -0.173 1
1 929 . 13 1 1 A 80 80 ALA CB C 80 18.100 18.046 0.054 1
1 930 . 13 1 1 A 80 80 ALA N N 80 125.200 122.165 3.035 1
1 931 . 13 1 1 A 81 81 MET H H 81 9.360 8.199 1.161 1
1 932 . 13 1 1 A 81 81 MET HA H 81 4.210 4.203 0.007 1
1 940 . 13 1 1 A 81 81 MET CA C 81 57.800 57.416 0.384 1
1 941 . 13 1 1 A 81 81 MET CB C 81 31.800 31.859 -0.059 1
1 944 . 13 1 1 A 81 81 MET N N 81 119.600 115.581 4.019 1
1 945 . 13 1 1 A 82 82 SER H H 82 7.780 7.496 0.284 1
1 946 . 13 1 1 A 82 82 SER HA H 82 4.510 4.537 -0.027 1
1 949 . 13 1 1 A 82 82 SER CA C 82 59.500 58.223 1.277 1
1 950 . 13 1 1 A 82 82 SER CB C 82 64.000 63.527 0.473 1
1 951 . 13 1 1 A 82 82 SER N N 82 114.000 112.096 1.904 1
1 952 . 13 1 1 A 83 83 GLY H H 83 7.910 8.033 -0.123 1
1 953 . 13 1 1 A 83 83 GLY HA2 H 83 3.700 3.856 -0.156 1
1 954 . 13 1 1 A 83 83 GLY HA3 H 83 4.350 3.859 0.491 1
1 955 . 13 1 1 A 83 83 GLY CA C 83 44.900 45.381 -0.481 1
1 956 . 13 1 1 A 83 83 GLY N N 83 109.400 109.951 -0.551 1
1 957 . 13 1 1 A 84 84 GLN H H 84 7.100 7.397 -0.297 1
1 958 . 13 1 1 A 84 84 GLN HA H 84 4.530 4.462 0.068 1
1 965 . 13 1 1 A 84 84 GLN CA C 84 53.100 53.664 -0.564 1
1 966 . 13 1 1 A 84 84 GLN CB C 84 29.000 28.883 0.117 1
1 968 . 13 1 1 A 84 84 GLN N N 84 120.700 120.334 0.366 1
1 970 . 13 1 1 A 85 85 PRO HA H 85 4.360 4.635 -0.275 1
1 977 . 13 1 1 A 85 85 PRO CA C 85 61.800 62.480 -0.680 1
1 978 . 13 1 1 A 85 85 PRO CB C 85 31.800 32.603 -0.803 1
1 981 . 13 1 1 A 86 86 LEU H H 86 8.360 8.336 0.024 1
1 982 . 13 1 1 A 86 86 LEU HA H 86 4.380 4.530 -0.150 1
1 992 . 13 1 1 A 86 86 LEU CA C 86 51.600 52.869 -1.269 1
1 993 . 13 1 1 A 86 86 LEU CB C 86 41.000 41.268 -0.268 1
1 997 . 13 1 1 A 86 86 LEU N N 86 121.700 123.905 -2.205 1
1 998 . 13 1 1 A 87 87 PRO HA H 87 4.740 4.708 0.032 1
1 1005 . 13 1 1 A 87 87 PRO CA C 87 60.800 61.596 -0.796 1
1 1006 . 13 1 1 A 87 87 PRO CB C 87 30.900 31.960 -1.060 1
1 1009 . 13 1 1 A 88 88 PRO HA H 88 4.330 4.414 -0.084 1
1 1016 . 13 1 1 A 88 88 PRO CA C 88 63.900 64.668 -0.768 1
1 1017 . 13 1 1 A 88 88 PRO CB C 88 31.700 32.227 -0.527 1
1 1020 . 13 1 1 A 89 89 VAL H H 89 6.840 7.667 -0.827 1
1 1021 . 13 1 1 A 89 89 VAL HA H 89 4.030 4.791 -0.761 1
1 1029 . 13 1 1 A 89 89 VAL CA C 89 59.300 60.378 -1.078 1
1 1030 . 13 1 1 A 89 89 VAL CB C 89 35.500 35.700 -0.200 1
1 1033 . 13 1 1 A 89 89 VAL N N 89 112.700 117.471 -4.771 1
1 1034 . 13 1 1 A 90 90 LEU H H 90 8.990 8.809 0.181 1
1 1035 . 13 1 1 A 90 90 LEU HA H 90 4.150 4.859 -0.709 1
1 1045 . 13 1 1 A 90 90 LEU CA C 90 53.500 51.868 1.632 1
1 1046 . 13 1 1 A 90 90 LEU CB C 90 42.200 44.583 -2.383 1
1 1050 . 13 1 1 A 90 90 LEU N N 90 127.800 128.927 -1.127 1
1 1051 . 13 1 1 A 91 91 PRO HA H 91 4.830 4.744 0.086 1
1 1058 . 13 1 1 A 91 91 PRO CA C 91 61.100 61.818 -0.718 1
1 1059 . 13 1 1 A 91 91 PRO CB C 91 31.300 32.495 -1.195 1
1 1062 . 13 1 1 A 92 92 PRO HA H 92 4.230 4.221 0.009 1
1 1069 . 13 1 1 A 92 92 PRO CA C 92 65.100 65.274 -0.174 1
1 1070 . 13 1 1 A 92 92 PRO CB C 92 31.800 32.128 -0.328 1
1 1073 . 13 1 1 A 93 93 GLU H H 93 10.180 8.676 1.504 1
1 1074 . 13 1 1 A 93 93 GLU HA H 93 4.300 4.118 0.182 1
1 1079 . 13 1 1 A 93 93 GLU CA C 93 58.700 59.169 -0.469 1
1 1080 . 13 1 1 A 93 93 GLU CB C 93 27.500 28.899 -1.399 1
1 1082 . 13 1 1 A 93 93 GLU N N 93 116.400 117.168 -0.768 1
1 1083 . 13 1 1 A 94 94 TYR H H 94 8.510 7.798 0.712 1
1 1084 . 13 1 1 A 94 94 TYR HA H 94 4.510 4.774 -0.264 1
1 1091 . 13 1 1 A 94 94 TYR CA C 94 60.100 59.009 1.091 1
1 1092 . 13 1 1 A 94 94 TYR CB C 94 39.600 38.750 0.850 1
1 1095 . 13 1 1 A 94 94 TYR N N 94 119.400 115.701 3.699 1
1 1096 . 13 1 1 A 95 95 ILE H H 95 7.800 7.440 0.360 1
1 1097 . 13 1 1 A 95 95 ILE HA H 95 3.940 4.318 -0.378 1
1 1107 . 13 1 1 A 95 95 ILE CA C 95 60.200 58.720 1.480 1
1 1108 . 13 1 1 A 95 95 ILE CB C 95 37.800 38.005 -0.205 1
1 1112 . 13 1 1 A 95 95 ILE N N 95 124.500 122.056 2.444 1
1 1113 . 13 1 1 A 96 96 PRO HA H 96 2.770 3.839 -1.069 1
1 1120 . 13 1 1 A 96 96 PRO CA C 96 60.700 61.174 -0.474 1
1 1121 . 13 1 1 A 96 96 PRO CB C 96 31.400 31.284 0.116 1
1 1124 . 13 1 1 A 97 97 PRO HA H 97 3.680 4.100 -0.420 1
1 1131 . 13 1 1 A 97 97 PRO CA C 97 65.900 63.468 2.432 1
1 1132 . 13 1 1 A 97 97 PRO CB C 97 32.100 32.092 0.008 1
1 1135 . 13 1 1 A 98 98 SER H H 98 9.160 8.588 0.572 1
1 1136 . 13 1 1 A 98 98 SER HA H 98 3.980 3.939 0.041 1
1 1139 . 13 1 1 A 98 98 SER CA C 98 60.900 60.530 0.370 1
1 1140 . 13 1 1 A 98 98 SER CB C 98 62.200 60.817 1.383 1
1 1141 . 13 1 1 A 98 98 SER N N 98 112.400 111.730 0.670 1
1 1142 . 13 1 1 A 99 99 PHE H H 99 7.950 8.096 -0.146 1
1 1143 . 13 1 1 A 99 99 PHE HA H 99 4.470 4.427 0.043 1
1 1151 . 13 1 1 A 99 99 PHE CA C 99 58.500 59.159 -0.659 1
1 1152 . 13 1 1 A 99 99 PHE CB C 99 40.100 38.246 1.854 1
1 1156 . 13 1 1 A 99 99 PHE N N 99 118.800 118.019 0.781 1
1 1157 . 13 1 1 A 100 100 ARG H H 100 7.350 7.751 -0.401 1
1 1158 . 13 1 1 A 100 100 ARG HA H 100 4.270 4.282 -0.012 1
1 1165 . 13 1 1 A 100 100 ARG CA C 100 56.600 57.959 -1.359 1
1 1166 . 13 1 1 A 100 100 ARG CB C 100 30.300 31.021 -0.721 1
1 1169 . 13 1 1 A 100 100 ARG N N 100 120.200 117.925 2.275 1
1 1170 . 13 1 1 A 101 101 ARG H H 101 8.180 7.893 0.287 1
1 1171 . 13 1 1 A 101 101 ARG HA H 101 4.270 4.801 -0.531 1
1 1177 . 13 1 1 A 101 101 ARG CA C 101 56.700 55.059 1.641 1
1 1178 . 13 1 1 A 101 101 ARG CB C 101 30.700 32.911 -2.211 1
1 1181 . 13 1 1 A 101 101 ARG N N 101 121.100 114.176 6.924 1
1 1182 . 13 1 1 A 102 102 VAL H H 102 8.160 8.524 -0.364 1
1 1183 . 13 1 1 A 102 102 VAL HA H 102 4.080 3.799 0.281 1
1 1191 . 13 1 1 A 102 102 VAL CA C 102 62.500 62.297 0.203 1
1 1192 . 13 1 1 A 102 102 VAL CB C 102 32.700 30.133 2.567 1
1 1195 . 13 1 1 A 102 102 VAL N N 102 121.500 117.358 4.142 1
1 1196 . 13 1 1 A 103 103 ARG H H 103 7.920 8.136 -0.216 1
1 1197 . 13 1 1 A 103 103 ARG HA H 103 4.160 4.330 -0.170 1
1 1204 . 13 1 1 A 103 103 ARG CA C 103 57.300 57.368 -0.068 1
1 1205 . 13 1 1 A 103 103 ARG CB C 103 31.600 31.221 0.379 1
1 1208 . 13 1 1 A 103 103 ARG N N 103 129.400 123.135 6.265 1
1 1209 . 13 1 1 A 104 104 LEU H H 104 8.190 7.564 0.626 1
1 1210 . 13 1 1 A 104 104 LEU N N 104 122.800 114.116 8.684 1
1 1211 . 13 1 1 A 105 105 GLU H H 105 8.220 8.203 0.017 1
1 8 . 14 1 1 A 2 2 PRO HA H 2 4.430 4.610 -0.180 1
1 15 . 14 1 1 A 2 2 PRO CA C 2 62.800 62.775 0.025 1
1 16 . 14 1 1 A 2 2 PRO CB C 2 31.900 31.928 -0.028 1
1 19 . 14 1 1 A 3 3 VAL H H 3 8.130 8.618 -0.488 1
1 20 . 14 1 1 A 3 3 VAL HA H 3 4.030 4.352 -0.322 1
1 28 . 14 1 1 A 3 3 VAL CA C 3 62.200 61.194 1.006 1
1 29 . 14 1 1 A 3 3 VAL CB C 3 32.700 31.895 0.805 1
1 32 . 14 1 1 A 3 3 VAL N N 3 120.100 122.856 -2.756 1
1 33 . 14 1 1 A 4 4 ALA H H 4 8.330 7.848 0.482 1
1 34 . 14 1 1 A 4 4 ALA HA H 4 4.310 3.981 0.329 1
1 38 . 14 1 1 A 4 4 ALA CA C 4 52.100 52.891 -0.791 1
1 39 . 14 1 1 A 4 4 ALA CB C 4 19.400 17.659 1.741 1
1 40 . 14 1 1 A 4 4 ALA N N 4 127.300 123.243 4.057 1
1 41 . 14 1 1 A 5 5 GLU H H 5 8.290 7.818 0.472 1
1 42 . 14 1 1 A 5 5 GLU HA H 5 4.290 4.738 -0.448 1
1 47 . 14 1 1 A 5 5 GLU CA C 5 56.100 56.026 0.074 1
1 48 . 14 1 1 A 5 5 GLU CB C 5 30.500 33.743 -3.243 1
1 50 . 14 1 1 A 5 5 GLU N N 5 121.000 117.007 3.993 1
1 51 . 14 1 1 A 6 6 TRP H H 6 8.670 8.703 -0.033 1
1 52 . 14 1 1 A 6 6 TRP HA H 6 5.020 4.769 0.251 1
1 61 . 14 1 1 A 6 6 TRP CA C 6 54.500 57.382 -2.882 1
1 62 . 14 1 1 A 6 6 TRP CB C 6 30.100 30.419 -0.319 1
1 68 . 14 1 1 A 6 6 TRP N N 6 124.900 126.312 -1.412 1
1 70 . 14 1 1 A 7 7 ALA H H 7 7.850 8.914 -1.064 1
1 71 . 14 1 1 A 7 7 ALA HA H 7 3.790 4.194 -0.404 1
1 75 . 14 1 1 A 7 7 ALA CA C 7 53.200 52.656 0.544 1
1 76 . 14 1 1 A 7 7 ALA CB C 7 18.000 18.076 -0.076 1
1 77 . 14 1 1 A 7 7 ALA N N 7 128.000 128.429 -0.429 1
1 78 . 14 1 1 A 8 8 VAL H H 8 5.280 7.216 -1.936 1
1 79 . 14 1 1 A 8 8 VAL HA H 8 2.850 4.353 -1.503 1
1 87 . 14 1 1 A 8 8 VAL CA C 8 59.700 57.718 1.982 1
1 88 . 14 1 1 A 8 8 VAL CB C 8 31.600 34.239 -2.639 1
1 91 . 14 1 1 A 8 8 VAL N N 8 117.000 117.933 -0.933 1
1 92 . 14 1 1 A 9 9 PRO HA H 9 4.340 4.417 -0.077 1
1 99 . 14 1 1 A 9 9 PRO CA C 9 62.800 62.861 -0.061 1
1 100 . 14 1 1 A 9 9 PRO CB C 9 32.400 32.542 -0.142 1
1 103 . 14 1 1 A 10 10 GLN HA H 10 3.710 3.945 -0.235 1
1 110 . 14 1 1 A 10 10 GLN CA C 10 60.100 59.134 0.966 1
1 111 . 14 1 1 A 10 10 GLN CB C 10 28.000 28.440 -0.440 1
1 114 . 14 1 1 A 11 11 SER HA H 11 4.070 4.099 -0.029 1
1 117 . 14 1 1 A 11 11 SER CA C 11 61.400 61.838 -0.438 1
1 118 . 14 1 1 A 11 11 SER CB C 11 61.400 62.688 -1.288 1
1 119 . 14 1 1 A 12 12 SER H H 12 7.070 8.038 -0.968 1
1 120 . 14 1 1 A 12 12 SER HA H 12 3.990 3.885 0.105 1
1 123 . 14 1 1 A 12 12 SER CA C 12 61.500 61.147 0.353 1
1 124 . 14 1 1 A 12 12 SER CB C 12 61.500 62.604 -1.104 1
1 125 . 14 1 1 A 12 12 SER N N 12 119.300 117.506 1.794 1
1 126 . 14 1 1 A 13 13 ARG H H 13 8.000 7.973 0.027 1
1 127 . 14 1 1 A 13 13 ARG HA H 13 3.930 3.999 -0.069 1
1 134 . 14 1 1 A 13 13 ARG CA C 13 59.800 59.025 0.775 1
1 135 . 14 1 1 A 13 13 ARG CB C 13 30.300 29.891 0.409 1
1 138 . 14 1 1 A 13 13 ARG N N 13 121.600 122.060 -0.460 1
1 139 . 14 1 1 A 14 14 LEU H H 14 7.710 8.105 -0.395 1
1 140 . 14 1 1 A 14 14 LEU HA H 14 4.120 3.987 0.133 1
1 150 . 14 1 1 A 14 14 LEU CA C 14 57.900 58.005 -0.105 1
1 151 . 14 1 1 A 14 14 LEU CB C 14 41.900 41.549 0.351 1
1 155 . 14 1 1 A 14 14 LEU N N 14 117.100 119.705 -2.605 1
1 156 . 14 1 1 A 15 15 LYS H H 15 7.450 7.974 -0.524 1
1 157 . 14 1 1 A 15 15 LYS HA H 15 4.050 3.916 0.134 1
1 166 . 14 1 1 A 15 15 LYS CA C 15 59.100 58.995 0.105 1
1 167 . 14 1 1 A 15 15 LYS CB C 15 33.000 32.165 0.835 1
1 171 . 14 1 1 A 15 15 LYS N N 15 118.800 120.424 -1.624 1
1 172 . 14 1 1 A 16 16 TYR H H 16 8.640 7.467 1.173 1
1 173 . 14 1 1 A 16 16 TYR HA H 16 5.130 4.509 0.621 1
1 180 . 14 1 1 A 16 16 TYR CA C 16 58.900 61.320 -2.420 1
1 181 . 14 1 1 A 16 16 TYR CB C 16 37.100 38.334 -1.234 1
1 184 . 14 1 1 A 16 16 TYR N N 16 117.800 117.859 -0.059 1
1 185 . 14 1 1 A 17 17 ARG H H 17 8.470 8.694 -0.224 1
1 186 . 14 1 1 A 17 17 ARG HA H 17 4.230 4.200 0.030 1
1 193 . 14 1 1 A 17 17 ARG CA C 17 59.700 59.071 0.629 1
1 194 . 14 1 1 A 17 17 ARG CB C 17 29.800 29.748 0.052 1
1 197 . 14 1 1 A 17 17 ARG N N 17 124.000 122.423 1.577 1
1 198 . 14 1 1 A 18 18 GLN H H 18 7.740 7.999 -0.259 1
1 199 . 14 1 1 A 18 18 GLN HA H 18 4.190 4.288 -0.098 1
1 206 . 14 1 1 A 18 18 GLN CA C 18 59.300 57.870 1.430 1
1 207 . 14 1 1 A 18 18 GLN CB C 18 27.900 29.111 -1.211 1
1 209 . 14 1 1 A 18 18 GLN N N 18 118.000 117.110 0.890 1
1 211 . 14 1 1 A 19 19 LEU H H 19 7.770 7.871 -0.101 1
1 212 . 14 1 1 A 19 19 LEU HA H 19 4.400 4.784 -0.384 1
1 222 . 14 1 1 A 19 19 LEU CA C 19 58.000 54.134 3.866 1
1 223 . 14 1 1 A 19 19 LEU CB C 19 42.800 42.997 -0.197 1
1 227 . 14 1 1 A 19 19 LEU N N 19 120.500 121.544 -1.044 1
1 228 . 14 1 1 A 20 20 PHE H H 20 8.710 8.342 0.368 1
1 229 . 14 1 1 A 20 20 PHE HA H 20 3.330 3.919 -0.589 1
1 237 . 14 1 1 A 20 20 PHE CA C 20 62.400 62.122 0.278 1
1 238 . 14 1 1 A 20 20 PHE CB C 20 38.500 39.725 -1.225 1
1 242 . 14 1 1 A 20 20 PHE N N 20 121.900 123.602 -1.702 1
1 243 . 14 1 1 A 21 21 ASN H H 21 8.770 9.099 -0.329 1
1 244 . 14 1 1 A 21 21 ASN HA H 21 4.380 4.603 -0.223 1
1 249 . 14 1 1 A 21 21 ASN CA C 21 55.400 56.580 -1.180 1
1 250 . 14 1 1 A 21 21 ASN CB C 21 37.600 39.434 -1.834 1
1 251 . 14 1 1 A 21 21 ASN N N 21 117.300 117.894 -0.594 1
1 253 . 14 1 1 A 22 22 SER H H 22 7.900 8.475 -0.575 1
1 254 . 14 1 1 A 22 22 SER HA H 22 4.180 4.216 -0.036 1
1 257 . 14 1 1 A 22 22 SER CA C 22 60.700 61.816 -1.116 1
1 258 . 14 1 1 A 22 22 SER CB C 22 62.900 63.036 -0.136 1
1 259 . 14 1 1 A 22 22 SER N N 22 114.800 115.786 -0.986 1
1 260 . 14 1 1 A 23 23 HIS H H 23 7.310 8.659 -1.349 1
1 261 . 14 1 1 A 23 23 HIS HA H 23 4.480 4.589 -0.109 1
1 266 . 14 1 1 A 23 23 HIS CA C 23 58.000 56.887 1.113 1
1 267 . 14 1 1 A 23 23 HIS CB C 23 32.400 30.216 2.184 1
1 270 . 14 1 1 A 23 23 HIS N N 23 118.900 116.396 2.504 1
1 271 . 14 1 1 A 24 24 ASP H H 24 7.870 7.672 0.198 1
1 272 . 14 1 1 A 24 24 ASP HA H 24 4.850 4.713 0.137 1
1 275 . 14 1 1 A 24 24 ASP CA C 24 52.100 54.500 -2.400 1
1 276 . 14 1 1 A 24 24 ASP CB C 24 38.500 42.142 -3.642 1
1 277 . 14 1 1 A 24 24 ASP N N 24 122.400 121.333 1.067 1
1 278 . 14 1 1 A 25 25 LYS H H 25 7.900 8.739 -0.839 1
1 279 . 14 1 1 A 25 25 LYS HA H 25 4.070 4.632 -0.562 1
1 288 . 14 1 1 A 25 25 LYS CA C 25 58.600 55.721 2.879 1
1 289 . 14 1 1 A 25 25 LYS CB C 25 32.600 33.438 -0.838 1
1 293 . 14 1 1 A 25 25 LYS N N 25 122.400 121.205 1.195 1
1 294 . 14 1 1 A 26 26 THR H H 26 8.120 7.459 0.661 1
1 295 . 14 1 1 A 26 26 THR HA H 26 4.340 4.714 -0.374 1
1 300 . 14 1 1 A 26 26 THR CA C 26 61.000 59.390 1.610 1
1 301 . 14 1 1 A 26 26 THR CB C 26 69.100 71.085 -1.985 1
1 303 . 14 1 1 A 26 26 THR N N 26 106.400 112.339 -5.939 1
1 304 . 14 1 1 A 27 27 MET H H 27 8.030 8.691 -0.661 1
1 305 . 14 1 1 A 27 27 MET HA H 27 3.980 4.837 -0.857 1
1 310 . 14 1 1 A 27 27 MET CA C 27 56.600 54.150 2.450 1
1 311 . 14 1 1 A 27 27 MET CB C 27 29.100 34.064 -4.964 1
1 313 . 14 1 1 A 27 27 MET N N 27 119.600 122.555 -2.955 1
1 314 . 14 1 1 A 28 28 SER H H 28 9.520 8.592 0.928 1
1 315 . 14 1 1 A 28 28 SER HA H 28 4.250 4.173 0.077 1
1 318 . 14 1 1 A 28 28 SER CA C 28 60.500 59.053 1.447 1
1 319 . 14 1 1 A 28 28 SER CB C 28 64.400 61.655 2.745 1
1 320 . 14 1 1 A 28 28 SER N N 28 118.600 119.200 -0.600 1
1 321 . 14 1 1 A 29 29 GLY H H 29 10.710 8.301 2.409 1
1 322 . 14 1 1 A 29 29 GLY HA2 H 29 4.380 3.708 0.672 1
1 323 . 14 1 1 A 29 29 GLY HA3 H 29 3.690 3.906 -0.216 1
1 324 . 14 1 1 A 29 29 GLY CA C 29 45.200 46.659 -1.459 1
1 325 . 14 1 1 A 29 29 GLY N N 29 113.800 110.250 3.550 1
1 326 . 14 1 1 A 30 30 HIS H H 30 7.870 8.560 -0.690 1
1 327 . 14 1 1 A 30 30 HIS HA H 30 5.520 5.858 -0.338 1
1 332 . 14 1 1 A 30 30 HIS CA C 30 55.800 53.673 2.127 1
1 333 . 14 1 1 A 30 30 HIS CB C 30 32.800 33.163 -0.363 1
1 336 . 14 1 1 A 30 30 HIS N N 30 115.700 120.028 -4.328 1
1 337 . 14 1 1 A 31 31 LEU H H 31 9.140 9.603 -0.463 1
1 338 . 14 1 1 A 31 31 LEU HA H 31 4.840 4.924 -0.084 1
1 348 . 14 1 1 A 31 31 LEU CA C 31 52.900 53.533 -0.633 1
1 349 . 14 1 1 A 31 31 LEU CB C 31 44.200 44.244 -0.044 1
1 353 . 14 1 1 A 31 31 LEU N N 31 117.200 124.015 -6.815 1
1 354 . 14 1 1 A 32 32 THR H H 32 8.680 8.754 -0.074 1
1 355 . 14 1 1 A 32 32 THR HA H 32 4.340 4.728 -0.388 1
1 360 . 14 1 1 A 32 32 THR CA C 32 61.500 60.415 1.085 1
1 361 . 14 1 1 A 32 32 THR CB C 32 70.200 71.409 -1.209 1
1 363 . 14 1 1 A 32 32 THR N N 32 113.400 114.287 -0.887 1
1 364 . 14 1 1 A 33 33 GLY H H 33 9.090 8.906 0.184 1
1 365 . 14 1 1 A 33 33 GLY HA2 H 33 3.970 3.943 0.027 1
1 366 . 14 1 1 A 33 33 GLY HA3 H 33 4.070 4.212 -0.142 1
1 367 . 14 1 1 A 33 33 GLY CA C 33 49.300 48.349 0.951 1
1 368 . 14 1 1 A 33 33 GLY N N 33 108.000 109.613 -1.613 1
1 369 . 14 1 1 A 34 34 PRO HA H 34 4.110 4.175 -0.065 1
1 376 . 14 1 1 A 34 34 PRO CA C 34 65.400 65.508 -0.108 1
1 377 . 14 1 1 A 34 34 PRO CB C 34 32.200 31.124 1.076 1
1 380 . 14 1 1 A 35 35 GLN H H 35 7.240 7.662 -0.422 1
1 381 . 14 1 1 A 35 35 GLN HA H 35 4.040 4.034 0.006 1
1 388 . 14 1 1 A 35 35 GLN CA C 35 58.200 59.363 -1.163 1
1 389 . 14 1 1 A 35 35 GLN CB C 35 29.800 28.314 1.486 1
1 391 . 14 1 1 A 35 35 GLN N N 35 116.700 117.269 -0.569 1
1 393 . 14 1 1 A 36 36 ALA H H 36 9.180 8.267 0.913 1
1 394 . 14 1 1 A 36 36 ALA HA H 36 4.080 4.305 -0.225 1
1 398 . 14 1 1 A 36 36 ALA CA C 36 54.900 55.572 -0.672 1
1 399 . 14 1 1 A 36 36 ALA CB C 36 18.900 18.603 0.297 1
1 400 . 14 1 1 A 36 36 ALA N N 36 120.000 122.293 -2.293 1
1 401 . 14 1 1 A 37 37 ARG H H 37 9.060 8.556 0.504 1
1 402 . 14 1 1 A 37 37 ARG HA H 37 3.860 4.060 -0.200 1
1 409 . 14 1 1 A 37 37 ARG CA C 37 61.000 59.660 1.340 1
1 410 . 14 1 1 A 37 37 ARG CB C 37 29.900 29.949 -0.049 1
1 413 . 14 1 1 A 37 37 ARG N N 37 117.200 117.441 -0.241 1
1 414 . 14 1 1 A 38 38 THR H H 38 7.620 8.300 -0.680 1
1 415 . 14 1 1 A 38 38 THR HA H 38 3.920 4.028 -0.108 1
1 420 . 14 1 1 A 38 38 THR CA C 38 66.900 67.128 -0.228 1
1 421 . 14 1 1 A 38 38 THR CB C 38 68.800 68.178 0.622 1
1 423 . 14 1 1 A 38 38 THR N N 38 114.600 118.564 -3.964 1
1 424 . 14 1 1 A 39 39 ILE H H 39 7.180 7.645 -0.465 1
1 425 . 14 1 1 A 39 39 ILE HA H 39 3.730 3.742 -0.012 1
1 435 . 14 1 1 A 39 39 ILE CA C 39 64.900 64.145 0.755 1
1 436 . 14 1 1 A 39 39 ILE CB C 39 39.000 37.374 1.626 1
1 440 . 14 1 1 A 39 39 ILE N N 39 121.500 121.264 0.236 1
1 441 . 14 1 1 A 40 40 LEU H H 40 8.480 8.433 0.047 1
1 442 . 14 1 1 A 40 40 LEU HA H 40 3.870 3.866 0.004 1
1 452 . 14 1 1 A 40 40 LEU CA C 40 58.500 57.980 0.520 1
1 453 . 14 1 1 A 40 40 LEU CB C 40 40.800 41.199 -0.399 1
1 457 . 14 1 1 A 40 40 LEU N N 40 119.900 120.216 -0.316 1
1 458 . 14 1 1 A 41 41 MET H H 41 8.160 8.208 -0.048 1
1 459 . 14 1 1 A 41 41 MET HA H 41 4.200 4.218 -0.018 1
1 464 . 14 1 1 A 41 41 MET CA C 41 57.700 57.933 -0.233 1
1 465 . 14 1 1 A 41 41 MET CB C 41 32.500 32.489 0.011 1
1 467 . 14 1 1 A 41 41 MET N N 41 115.300 118.311 -3.011 1
1 468 . 14 1 1 A 42 42 GLN H H 42 7.600 7.443 0.157 1
1 469 . 14 1 1 A 42 42 GLN HA H 42 4.230 4.343 -0.113 1
1 476 . 14 1 1 A 42 42 GLN CA C 42 57.200 56.993 0.207 1
1 477 . 14 1 1 A 42 42 GLN CB C 42 27.900 28.572 -0.672 1
1 479 . 14 1 1 A 42 42 GLN N N 42 118.900 118.704 0.196 1
1 481 . 14 1 1 A 43 43 SER H H 43 7.670 7.704 -0.034 1
1 482 . 14 1 1 A 43 43 SER HA H 43 4.300 4.379 -0.079 1
1 485 . 14 1 1 A 43 43 SER CA C 43 59.800 60.640 -0.840 1
1 486 . 14 1 1 A 43 43 SER CB C 43 65.200 63.312 1.888 1
1 487 . 14 1 1 A 43 43 SER N N 43 113.900 116.067 -2.167 1
1 488 . 14 1 1 A 44 44 SER H H 44 8.040 7.844 0.196 1
1 489 . 14 1 1 A 44 44 SER HA H 44 4.300 4.638 -0.338 1
1 492 . 14 1 1 A 44 44 SER CA C 44 59.400 57.929 1.471 1
1 493 . 14 1 1 A 44 44 SER CB C 44 62.500 65.053 -2.553 1
1 494 . 14 1 1 A 44 44 SER N N 44 113.500 111.380 2.120 1
1 495 . 14 1 1 A 45 45 LEU H H 45 7.430 7.597 -0.167 1
1 496 . 14 1 1 A 45 45 LEU HA H 45 4.470 4.639 -0.169 1
1 506 . 14 1 1 A 45 45 LEU CA C 45 53.300 51.867 1.433 1
1 507 . 14 1 1 A 45 45 LEU CB C 45 41.700 43.288 -1.588 1
1 511 . 14 1 1 A 45 45 LEU N N 45 121.900 123.029 -1.129 1
1 512 . 14 1 1 A 46 46 PRO HA H 46 4.460 4.648 -0.188 1
1 519 . 14 1 1 A 46 46 PRO CA C 46 62.500 62.016 0.484 1
1 520 . 14 1 1 A 46 46 PRO CB C 46 32.500 32.965 -0.465 1
1 523 . 14 1 1 A 47 47 GLN H H 47 8.820 9.010 -0.190 1
1 524 . 14 1 1 A 47 47 GLN HA H 47 3.870 3.956 -0.086 1
1 531 . 14 1 1 A 47 47 GLN CA C 47 59.600 59.089 0.511 1
1 532 . 14 1 1 A 47 47 GLN CB C 47 28.100 28.199 -0.099 1
1 534 . 14 1 1 A 47 47 GLN N N 47 123.400 121.863 1.537 1
1 536 . 14 1 1 A 48 48 ALA H H 48 9.000 8.228 0.772 1
1 537 . 14 1 1 A 48 48 ALA HA H 48 4.150 4.068 0.082 1
1 541 . 14 1 1 A 48 48 ALA CA C 48 55.200 55.323 -0.123 1
1 542 . 14 1 1 A 48 48 ALA CB C 48 18.200 18.073 0.127 1
1 543 . 14 1 1 A 48 48 ALA N N 48 119.800 121.923 -2.123 1
1 544 . 14 1 1 A 49 49 GLN H H 49 7.190 8.125 -0.935 1
1 545 . 14 1 1 A 49 49 GLN HA H 49 4.230 4.050 0.180 1
1 552 . 14 1 1 A 49 49 GLN CA C 49 58.600 58.705 -0.105 1
1 553 . 14 1 1 A 49 49 GLN CB C 49 29.400 28.229 1.171 1
1 555 . 14 1 1 A 49 49 GLN N N 49 115.800 117.296 -1.496 1
1 557 . 14 1 1 A 50 50 LEU H H 50 7.800 8.262 -0.462 1
1 558 . 14 1 1 A 50 50 LEU HA H 50 3.930 4.041 -0.111 1
1 568 . 14 1 1 A 50 50 LEU CA C 50 57.900 57.960 -0.060 1
1 569 . 14 1 1 A 50 50 LEU CB C 50 41.100 41.531 -0.431 1
1 573 . 14 1 1 A 50 50 LEU N N 50 119.800 120.676 -0.876 1
1 574 . 14 1 1 A 51 51 ALA H H 51 8.410 8.563 -0.153 1
1 575 . 14 1 1 A 51 51 ALA HA H 51 4.210 4.151 0.059 1
1 579 . 14 1 1 A 51 51 ALA CA C 51 55.100 55.298 -0.198 1
1 580 . 14 1 1 A 51 51 ALA CB C 51 17.500 17.842 -0.342 1
1 581 . 14 1 1 A 51 51 ALA N N 51 122.600 123.026 -0.426 1
1 582 . 14 1 1 A 52 52 SER H H 52 7.530 7.506 0.024 1
1 583 . 14 1 1 A 52 52 SER HA H 52 4.310 4.229 0.081 1
1 586 . 14 1 1 A 52 52 SER CA C 52 62.200 61.568 0.632 1
1 587 . 14 1 1 A 52 52 SER CB C 52 62.600 62.998 -0.398 1
1 588 . 14 1 1 A 52 52 SER N N 52 115.300 113.076 2.224 1
1 589 . 14 1 1 A 53 53 ILE H H 53 8.270 8.314 -0.044 1
1 590 . 14 1 1 A 53 53 ILE HA H 53 3.430 3.700 -0.270 1
1 600 . 14 1 1 A 53 53 ILE CA C 53 66.300 65.044 1.256 1
1 601 . 14 1 1 A 53 53 ILE CB C 53 37.900 37.710 0.190 1
1 605 . 14 1 1 A 53 53 ILE N N 53 122.000 121.929 0.071 1
1 606 . 14 1 1 A 54 54 TRP H H 54 8.480 8.458 0.022 1
1 607 . 14 1 1 A 54 54 TRP HA H 54 3.720 4.175 -0.455 1
1 616 . 14 1 1 A 54 54 TRP CA C 54 61.400 60.505 0.895 1
1 617 . 14 1 1 A 54 54 TRP CB C 54 28.100 29.505 -1.405 1
1 623 . 14 1 1 A 54 54 TRP N N 54 122.100 121.856 0.244 1
1 625 . 14 1 1 A 55 55 ASN H H 55 7.860 8.587 -0.727 1
1 626 . 14 1 1 A 55 55 ASN HA H 55 4.350 4.519 -0.169 1
1 631 . 14 1 1 A 55 55 ASN CA C 55 55.900 56.684 -0.784 1
1 632 . 14 1 1 A 55 55 ASN CB C 55 38.500 39.755 -1.255 1
1 633 . 14 1 1 A 55 55 ASN N N 55 113.900 117.920 -4.020 1
1 635 . 14 1 1 A 56 56 LEU H H 56 8.020 8.133 -0.113 1
1 636 . 14 1 1 A 56 56 LEU HA H 56 3.990 4.133 -0.143 1
1 646 . 14 1 1 A 56 56 LEU CA C 56 56.700 57.735 -1.035 1
1 647 . 14 1 1 A 56 56 LEU CB C 56 43.900 41.305 2.595 1
1 651 . 14 1 1 A 56 56 LEU N N 56 117.500 120.121 -2.621 1
1 652 . 14 1 1 A 57 57 SER H H 57 7.280 8.239 -0.959 1
1 653 . 14 1 1 A 57 57 SER HA H 57 4.290 4.163 0.127 1
1 656 . 14 1 1 A 57 57 SER CA C 57 61.100 61.108 -0.008 1
1 657 . 14 1 1 A 57 57 SER CB C 57 64.000 62.861 1.139 1
1 658 . 14 1 1 A 57 57 SER N N 57 111.100 114.076 -2.976 1
1 659 . 14 1 1 A 58 58 ASP H H 58 7.030 8.003 -0.973 1
1 660 . 14 1 1 A 58 58 ASP HA H 58 4.650 4.298 0.352 1
1 663 . 14 1 1 A 58 58 ASP CA C 58 51.400 53.072 -1.672 1
1 664 . 14 1 1 A 58 58 ASP CB C 58 37.200 39.678 -2.478 1
1 665 . 14 1 1 A 58 58 ASP N N 58 115.600 119.633 -4.033 1
1 666 . 14 1 1 A 59 59 ILE H H 59 8.630 7.765 0.865 1
1 667 . 14 1 1 A 59 59 ILE HA H 59 3.260 3.861 -0.601 1
1 677 . 14 1 1 A 59 59 ILE CA C 59 62.900 64.858 -1.958 1
1 678 . 14 1 1 A 59 59 ILE CB C 59 36.600 38.295 -1.695 1
1 682 . 14 1 1 A 59 59 ILE N N 59 128.500 125.954 2.546 1
1 683 . 14 1 1 A 60 60 ASP H H 60 7.960 7.759 0.201 1
1 684 . 14 1 1 A 60 60 ASP HA H 60 4.480 4.846 -0.366 1
1 687 . 14 1 1 A 60 60 ASP CA C 60 52.300 53.189 -0.889 1
1 688 . 14 1 1 A 60 60 ASP CB C 60 39.100 40.824 -1.724 1
1 689 . 14 1 1 A 60 60 ASP N N 60 113.200 118.410 -5.210 1
1 690 . 14 1 1 A 61 61 GLN H H 61 7.550 8.054 -0.504 1
1 691 . 14 1 1 A 61 61 GLN HA H 61 3.800 4.333 -0.533 1
1 698 . 14 1 1 A 61 61 GLN CA C 61 57.100 56.708 0.392 1
1 699 . 14 1 1 A 61 61 GLN CB C 61 26.400 26.402 -0.002 1
1 701 . 14 1 1 A 61 61 GLN N N 61 113.800 118.653 -4.853 1
1 703 . 14 1 1 A 62 62 ASP H H 62 8.390 7.780 0.610 1
1 704 . 14 1 1 A 62 62 ASP HA H 62 4.720 4.839 -0.119 1
1 707 . 14 1 1 A 62 62 ASP CA C 62 52.800 53.873 -1.073 1
1 708 . 14 1 1 A 62 62 ASP CB C 62 41.000 41.505 -0.505 1
1 709 . 14 1 1 A 62 62 ASP N N 62 117.700 120.229 -2.529 1
1 710 . 14 1 1 A 63 63 GLY H H 63 10.840 8.997 1.843 1
1 711 . 14 1 1 A 63 63 GLY HA2 H 63 4.310 4.133 0.177 1
1 712 . 14 1 1 A 63 63 GLY HA3 H 63 3.880 4.341 -0.461 1
1 713 . 14 1 1 A 63 63 GLY CA C 63 46.200 46.285 -0.085 1
1 714 . 14 1 1 A 63 63 GLY N N 63 114.200 108.654 5.546 1
1 715 . 14 1 1 A 64 64 LYS H H 64 8.070 7.846 0.224 1
1 716 . 14 1 1 A 64 64 LYS HA H 64 5.030 4.884 0.146 1
1 725 . 14 1 1 A 64 64 LYS CA C 64 54.200 54.465 -0.265 1
1 726 . 14 1 1 A 64 64 LYS CB C 64 36.100 35.469 0.631 1
1 730 . 14 1 1 A 64 64 LYS N N 64 117.400 119.837 -2.437 1
1 731 . 14 1 1 A 65 65 LEU H H 65 8.990 8.888 0.102 1
1 732 . 14 1 1 A 65 65 LEU HA H 65 5.750 5.063 0.687 1
1 742 . 14 1 1 A 65 65 LEU CA C 65 52.900 53.649 -0.749 1
1 743 . 14 1 1 A 65 65 LEU CB C 65 43.600 42.949 0.651 1
1 747 . 14 1 1 A 65 65 LEU N N 65 120.700 125.141 -4.441 1
1 748 . 14 1 1 A 66 66 THR H H 66 10.210 9.160 1.050 1
1 749 . 14 1 1 A 66 66 THR HA H 66 4.910 4.754 0.156 1
1 754 . 14 1 1 A 66 66 THR CA C 66 60.900 60.931 -0.031 1
1 755 . 14 1 1 A 66 66 THR CB C 66 71.200 71.089 0.111 1
1 757 . 14 1 1 A 66 66 THR N N 66 116.300 118.133 -1.833 1
1 758 . 14 1 1 A 67 67 ALA H H 67 8.350 8.724 -0.374 1
1 759 . 14 1 1 A 67 67 ALA HA H 67 2.620 3.379 -0.759 1
1 763 . 14 1 1 A 67 67 ALA CA C 67 56.200 55.260 0.940 1
1 764 . 14 1 1 A 67 67 ALA CB C 67 18.000 17.723 0.277 1
1 765 . 14 1 1 A 67 67 ALA N N 67 122.000 123.757 -1.757 1
1 766 . 14 1 1 A 68 68 GLU H H 68 8.160 8.122 0.038 1
1 767 . 14 1 1 A 68 68 GLU HA H 68 4.180 4.156 0.024 1
1 772 . 14 1 1 A 68 68 GLU CA C 68 60.500 59.540 0.960 1
1 773 . 14 1 1 A 68 68 GLU CB C 68 30.500 28.950 1.550 1
1 775 . 14 1 1 A 68 68 GLU N N 68 112.200 117.946 -5.746 1
1 776 . 14 1 1 A 69 69 GLU H H 69 7.280 7.692 -0.412 1
1 777 . 14 1 1 A 69 69 GLU HA H 69 4.030 3.905 0.125 1
1 782 . 14 1 1 A 69 69 GLU CA C 69 60.100 58.766 1.334 1
1 783 . 14 1 1 A 69 69 GLU CB C 69 31.800 29.390 2.410 1
1 785 . 14 1 1 A 69 69 GLU N N 69 117.400 120.170 -2.770 1
1 786 . 14 1 1 A 70 70 PHE H H 70 8.940 8.611 0.329 1
1 787 . 14 1 1 A 70 70 PHE HA H 70 4.130 4.118 0.012 1
1 795 . 14 1 1 A 70 70 PHE CA C 70 61.900 61.309 0.591 1
1 796 . 14 1 1 A 70 70 PHE CB C 70 39.900 39.755 0.145 1
1 800 . 14 1 1 A 70 70 PHE N N 70 119.000 121.479 -2.479 1
1 801 . 14 1 1 A 71 71 ILE H H 71 8.890 8.762 0.128 1
1 802 . 14 1 1 A 71 71 ILE HA H 71 3.380 3.737 -0.357 1
1 812 . 14 1 1 A 71 71 ILE CA C 71 65.800 65.568 0.232 1
1 813 . 14 1 1 A 71 71 ILE CB C 71 39.100 37.924 1.176 1
1 817 . 14 1 1 A 71 71 ILE N N 71 119.800 120.831 -1.031 1
1 818 . 14 1 1 A 72 72 LEU H H 72 7.810 8.180 -0.370 1
1 819 . 14 1 1 A 72 72 LEU HA H 72 4.040 3.984 0.056 1
1 829 . 14 1 1 A 72 72 LEU CA C 72 58.300 57.894 0.406 1
1 830 . 14 1 1 A 72 72 LEU CB C 72 42.600 41.545 1.055 1
1 834 . 14 1 1 A 72 72 LEU N N 72 118.100 121.183 -3.083 1
1 835 . 14 1 1 A 73 73 ALA H H 73 8.340 8.356 -0.016 1
1 836 . 14 1 1 A 73 73 ALA HA H 73 3.820 3.884 -0.064 1
1 840 . 14 1 1 A 73 73 ALA CA C 73 55.600 55.255 0.345 1
1 841 . 14 1 1 A 73 73 ALA CB C 73 17.600 18.241 -0.641 1
1 842 . 14 1 1 A 73 73 ALA N N 73 122.000 120.946 1.054 1
1 843 . 14 1 1 A 74 74 MET H H 74 7.840 8.152 -0.312 1
1 844 . 14 1 1 A 74 74 MET HA H 74 3.830 3.774 0.056 1
1 852 . 14 1 1 A 74 74 MET CA C 74 55.400 58.853 -3.453 1
1 853 . 14 1 1 A 74 74 MET CB C 74 27.800 32.110 -4.310 1
1 856 . 14 1 1 A 74 74 MET N N 74 113.400 116.265 -2.865 1
1 857 . 14 1 1 A 75 75 HIS H H 75 8.340 7.515 0.825 1
1 858 . 14 1 1 A 75 75 HIS HA H 75 4.510 3.941 0.569 1
1 863 . 14 1 1 A 75 75 HIS CA C 75 60.000 58.981 1.019 1
1 864 . 14 1 1 A 75 75 HIS CB C 75 31.400 29.802 1.598 1
1 867 . 14 1 1 A 75 75 HIS N N 75 120.200 119.905 0.295 1
1 868 . 14 1 1 A 76 76 LEU H H 76 8.750 8.307 0.443 1
1 869 . 14 1 1 A 76 76 LEU HA H 76 3.670 3.691 -0.021 1
1 879 . 14 1 1 A 76 76 LEU CA C 76 57.700 57.699 0.001 1
1 880 . 14 1 1 A 76 76 LEU CB C 76 41.400 41.323 0.077 1
1 884 . 14 1 1 A 76 76 LEU N N 76 118.600 119.399 -0.799 1
1 885 . 14 1 1 A 77 77 ILE H H 77 7.980 8.271 -0.291 1
1 886 . 14 1 1 A 77 77 ILE HA H 77 3.470 3.384 0.086 1
1 896 . 14 1 1 A 77 77 ILE CA C 77 66.000 65.167 0.833 1
1 897 . 14 1 1 A 77 77 ILE CB C 77 36.500 37.660 -1.160 1
1 901 . 14 1 1 A 77 77 ILE N N 77 120.900 120.101 0.799 1
1 902 . 14 1 1 A 78 78 ASP H H 78 7.490 7.970 -0.480 1
1 903 . 14 1 1 A 78 78 ASP HA H 78 4.300 4.258 0.042 1
1 906 . 14 1 1 A 78 78 ASP CA C 78 57.900 57.573 0.327 1
1 907 . 14 1 1 A 78 78 ASP CB C 78 39.000 40.844 -1.844 1
1 908 . 14 1 1 A 78 78 ASP N N 78 121.500 120.469 1.031 1
1 909 . 14 1 1 A 79 79 VAL H H 79 8.380 7.764 0.616 1
1 910 . 14 1 1 A 79 79 VAL HA H 79 3.390 3.495 -0.105 1
1 918 . 14 1 1 A 79 79 VAL CA C 79 66.400 66.504 -0.104 1
1 919 . 14 1 1 A 79 79 VAL CB C 79 31.700 31.495 0.205 1
1 922 . 14 1 1 A 79 79 VAL N N 79 122.400 119.329 3.071 1
1 923 . 14 1 1 A 80 80 ALA H H 80 8.730 8.292 0.438 1
1 924 . 14 1 1 A 80 80 ALA HA H 80 4.360 4.091 0.269 1
1 928 . 14 1 1 A 80 80 ALA CA C 80 54.800 55.228 -0.428 1
1 929 . 14 1 1 A 80 80 ALA CB C 80 18.100 17.914 0.186 1
1 930 . 14 1 1 A 80 80 ALA N N 80 125.200 121.824 3.376 1
1 931 . 14 1 1 A 81 81 MET H H 81 9.360 8.480 0.880 1
1 932 . 14 1 1 A 81 81 MET HA H 81 4.210 4.134 0.076 1
1 940 . 14 1 1 A 81 81 MET CA C 81 57.800 58.212 -0.412 1
1 941 . 14 1 1 A 81 81 MET CB C 81 31.800 32.389 -0.589 1
1 944 . 14 1 1 A 81 81 MET N N 81 119.600 118.857 0.743 1
1 945 . 14 1 1 A 82 82 SER H H 82 7.780 7.348 0.432 1
1 946 . 14 1 1 A 82 82 SER HA H 82 4.510 4.501 0.009 1
1 949 . 14 1 1 A 82 82 SER CA C 82 59.500 58.239 1.261 1
1 950 . 14 1 1 A 82 82 SER CB C 82 64.000 63.594 0.406 1
1 951 . 14 1 1 A 82 82 SER N N 82 114.000 112.570 1.430 1
1 952 . 14 1 1 A 83 83 GLY H H 83 7.910 8.184 -0.274 1
1 953 . 14 1 1 A 83 83 GLY HA2 H 83 3.700 3.869 -0.169 1
1 954 . 14 1 1 A 83 83 GLY HA3 H 83 4.350 3.872 0.478 1
1 955 . 14 1 1 A 83 83 GLY CA C 83 44.900 45.255 -0.355 1
1 956 . 14 1 1 A 83 83 GLY N N 83 109.400 109.426 -0.026 1
1 957 . 14 1 1 A 84 84 GLN H H 84 7.100 7.567 -0.467 1
1 958 . 14 1 1 A 84 84 GLN HA H 84 4.530 4.511 0.019 1
1 965 . 14 1 1 A 84 84 GLN CA C 84 53.100 53.334 -0.234 1
1 966 . 14 1 1 A 84 84 GLN CB C 84 29.000 28.750 0.250 1
1 968 . 14 1 1 A 84 84 GLN N N 84 120.700 120.449 0.251 1
1 970 . 14 1 1 A 85 85 PRO HA H 85 4.360 4.768 -0.408 1
1 977 . 14 1 1 A 85 85 PRO CA C 85 61.800 62.338 -0.538 1
1 978 . 14 1 1 A 85 85 PRO CB C 85 31.800 32.555 -0.755 1
1 981 . 14 1 1 A 86 86 LEU H H 86 8.360 8.459 -0.099 1
1 982 . 14 1 1 A 86 86 LEU HA H 86 4.380 4.837 -0.457 1
1 992 . 14 1 1 A 86 86 LEU CA C 86 51.600 52.005 -0.405 1
1 993 . 14 1 1 A 86 86 LEU CB C 86 41.000 43.915 -2.915 1
1 997 . 14 1 1 A 86 86 LEU N N 86 121.700 122.415 -0.715 1
1 998 . 14 1 1 A 87 87 PRO HA H 87 4.740 4.657 0.083 1
1 1005 . 14 1 1 A 87 87 PRO CA C 87 60.800 61.675 -0.875 1
1 1006 . 14 1 1 A 87 87 PRO CB C 87 30.900 32.159 -1.259 1
1 1009 . 14 1 1 A 88 88 PRO HA H 88 4.330 4.378 -0.048 1
1 1016 . 14 1 1 A 88 88 PRO CA C 88 63.900 64.772 -0.872 1
1 1017 . 14 1 1 A 88 88 PRO CB C 88 31.700 32.285 -0.585 1
1 1020 . 14 1 1 A 89 89 VAL H H 89 6.840 7.347 -0.507 1
1 1021 . 14 1 1 A 89 89 VAL HA H 89 4.030 4.700 -0.670 1
1 1029 . 14 1 1 A 89 89 VAL CA C 89 59.300 59.447 -0.147 1
1 1030 . 14 1 1 A 89 89 VAL CB C 89 35.500 34.412 1.088 1
1 1033 . 14 1 1 A 89 89 VAL N N 89 112.700 111.114 1.586 1
1 1034 . 14 1 1 A 90 90 LEU H H 90 8.990 8.657 0.333 1
1 1035 . 14 1 1 A 90 90 LEU HA H 90 4.150 4.824 -0.674 1
1 1045 . 14 1 1 A 90 90 LEU CA C 90 53.500 52.041 1.459 1
1 1046 . 14 1 1 A 90 90 LEU CB C 90 42.200 43.854 -1.654 1
1 1050 . 14 1 1 A 90 90 LEU N N 90 127.800 127.765 0.035 1
1 1051 . 14 1 1 A 91 91 PRO HA H 91 4.830 4.717 0.113 1
1 1058 . 14 1 1 A 91 91 PRO CA C 91 61.100 61.901 -0.801 1
1 1059 . 14 1 1 A 91 91 PRO CB C 91 31.300 32.548 -1.248 1
1 1062 . 14 1 1 A 92 92 PRO HA H 92 4.230 4.286 -0.056 1
1 1069 . 14 1 1 A 92 92 PRO CA C 92 65.100 65.234 -0.134 1
1 1070 . 14 1 1 A 92 92 PRO CB C 92 31.800 32.069 -0.269 1
1 1073 . 14 1 1 A 93 93 GLU H H 93 10.180 8.596 1.584 1
1 1074 . 14 1 1 A 93 93 GLU HA H 93 4.300 4.175 0.125 1
1 1079 . 14 1 1 A 93 93 GLU CA C 93 58.700 58.715 -0.015 1
1 1080 . 14 1 1 A 93 93 GLU CB C 93 27.500 29.249 -1.749 1
1 1082 . 14 1 1 A 93 93 GLU N N 93 116.400 116.942 -0.542 1
1 1083 . 14 1 1 A 94 94 TYR H H 94 8.510 8.134 0.376 1
1 1084 . 14 1 1 A 94 94 TYR HA H 94 4.510 4.857 -0.347 1
1 1091 . 14 1 1 A 94 94 TYR CA C 94 60.100 58.955 1.145 1
1 1092 . 14 1 1 A 94 94 TYR CB C 94 39.600 39.500 0.100 1
1 1095 . 14 1 1 A 94 94 TYR N N 94 119.400 115.909 3.491 1
1 1096 . 14 1 1 A 95 95 ILE H H 95 7.800 7.162 0.638 1
1 1097 . 14 1 1 A 95 95 ILE HA H 95 3.940 4.330 -0.390 1
1 1107 . 14 1 1 A 95 95 ILE CA C 95 60.200 59.156 1.044 1
1 1108 . 14 1 1 A 95 95 ILE CB C 95 37.800 38.134 -0.334 1
1 1112 . 14 1 1 A 95 95 ILE N N 95 124.500 120.888 3.612 1
1 1113 . 14 1 1 A 96 96 PRO HA H 96 2.770 4.299 -1.529 1
1 1120 . 14 1 1 A 96 96 PRO CA C 96 60.700 61.488 -0.788 1
1 1121 . 14 1 1 A 96 96 PRO CB C 96 31.400 31.452 -0.052 1
1 1124 . 14 1 1 A 97 97 PRO HA H 97 3.680 4.160 -0.480 1
1 1131 . 14 1 1 A 97 97 PRO CA C 97 65.900 63.562 2.338 1
1 1132 . 14 1 1 A 97 97 PRO CB C 97 32.100 32.132 -0.032 1
1 1135 . 14 1 1 A 98 98 SER H H 98 9.160 8.665 0.495 1
1 1136 . 14 1 1 A 98 98 SER HA H 98 3.980 4.051 -0.071 1
1 1139 . 14 1 1 A 98 98 SER CA C 98 60.900 60.631 0.269 1
1 1140 . 14 1 1 A 98 98 SER CB C 98 62.200 60.889 1.311 1
1 1141 . 14 1 1 A 98 98 SER N N 98 112.400 111.901 0.499 1
1 1142 . 14 1 1 A 99 99 PHE H H 99 7.950 8.690 -0.740 1
1 1143 . 14 1 1 A 99 99 PHE HA H 99 4.470 4.277 0.193 1
1 1151 . 14 1 1 A 99 99 PHE CA C 99 58.500 61.808 -3.308 1
1 1152 . 14 1 1 A 99 99 PHE CB C 99 40.100 37.950 2.150 1
1 1156 . 14 1 1 A 99 99 PHE N N 99 118.800 119.545 -0.745 1
1 1157 . 14 1 1 A 100 100 ARG H H 100 7.350 7.770 -0.420 1
1 1158 . 14 1 1 A 100 100 ARG HA H 100 4.270 4.011 0.259 1
1 1165 . 14 1 1 A 100 100 ARG CA C 100 56.600 59.651 -3.051 1
1 1166 . 14 1 1 A 100 100 ARG CB C 100 30.300 30.202 0.098 1
1 1169 . 14 1 1 A 100 100 ARG N N 100 120.200 119.467 0.733 1
1 1170 . 14 1 1 A 101 101 ARG H H 101 8.180 7.989 0.191 1
1 1171 . 14 1 1 A 101 101 ARG HA H 101 4.270 3.970 0.300 1
1 1177 . 14 1 1 A 101 101 ARG CA C 101 56.700 56.940 -0.240 1
1 1178 . 14 1 1 A 101 101 ARG CB C 101 30.700 28.738 1.962 1
1 1181 . 14 1 1 A 101 101 ARG N N 101 121.100 119.316 1.784 1
1 1182 . 14 1 1 A 102 102 VAL H H 102 8.160 8.084 0.076 1
1 1183 . 14 1 1 A 102 102 VAL HA H 102 4.080 4.873 -0.793 1
1 1191 . 14 1 1 A 102 102 VAL CA C 102 62.500 60.721 1.779 1
1 1192 . 14 1 1 A 102 102 VAL CB C 102 32.700 33.278 -0.578 1
1 1195 . 14 1 1 A 102 102 VAL N N 102 121.500 117.814 3.686 1
1 1196 . 14 1 1 A 103 103 ARG H H 103 7.920 8.684 -0.764 1
1 1197 . 14 1 1 A 103 103 ARG HA H 103 4.160 4.701 -0.541 1
1 1204 . 14 1 1 A 103 103 ARG CA C 103 57.300 54.853 2.447 1
1 1205 . 14 1 1 A 103 103 ARG CB C 103 31.600 31.224 0.376 1
1 1208 . 14 1 1 A 103 103 ARG N N 103 129.400 127.359 2.041 1
1 1209 . 14 1 1 A 104 104 LEU H H 104 8.190 7.725 0.465 1
1 1210 . 14 1 1 A 104 104 LEU N N 104 122.800 124.424 -1.624 1
1 1211 . 14 1 1 A 105 105 GLU H H 105 8.220 8.653 -0.433 1
1 8 . 15 1 1 A 2 2 PRO HA H 2 4.430 4.352 0.078 1
1 15 . 15 1 1 A 2 2 PRO CA C 2 62.800 63.287 -0.487 1
1 16 . 15 1 1 A 2 2 PRO CB C 2 31.900 31.362 0.538 1
1 19 . 15 1 1 A 3 3 VAL H H 3 8.130 8.389 -0.259 1
1 20 . 15 1 1 A 3 3 VAL HA H 3 4.030 3.950 0.080 1
1 28 . 15 1 1 A 3 3 VAL CA C 3 62.200 63.020 -0.820 1
1 29 . 15 1 1 A 3 3 VAL CB C 3 32.700 30.846 1.854 1
1 32 . 15 1 1 A 3 3 VAL N N 3 120.100 116.838 3.262 1
1 33 . 15 1 1 A 4 4 ALA H H 4 8.330 8.771 -0.441 1
1 34 . 15 1 1 A 4 4 ALA HA H 4 4.310 4.867 -0.557 1
1 38 . 15 1 1 A 4 4 ALA CA C 4 52.100 51.606 0.494 1
1 39 . 15 1 1 A 4 4 ALA CB C 4 19.400 23.007 -3.607 1
1 40 . 15 1 1 A 4 4 ALA N N 4 127.300 129.011 -1.711 1
1 41 . 15 1 1 A 5 5 GLU H H 5 8.290 8.700 -0.410 1
1 42 . 15 1 1 A 5 5 GLU HA H 5 4.290 4.503 -0.213 1
1 47 . 15 1 1 A 5 5 GLU CA C 5 56.100 57.154 -1.054 1
1 48 . 15 1 1 A 5 5 GLU CB C 5 30.500 29.772 0.728 1
1 50 . 15 1 1 A 5 5 GLU N N 5 121.000 120.227 0.773 1
1 51 . 15 1 1 A 6 6 TRP H H 6 8.670 7.712 0.958 1
1 52 . 15 1 1 A 6 6 TRP HA H 6 5.020 5.179 -0.159 1
1 61 . 15 1 1 A 6 6 TRP CA C 6 54.500 55.940 -1.440 1
1 62 . 15 1 1 A 6 6 TRP CB C 6 30.100 29.615 0.485 1
1 68 . 15 1 1 A 6 6 TRP N N 6 124.900 124.404 0.496 1
1 70 . 15 1 1 A 7 7 ALA H H 7 7.850 9.034 -1.184 1
1 71 . 15 1 1 A 7 7 ALA HA H 7 3.790 4.184 -0.394 1
1 75 . 15 1 1 A 7 7 ALA CA C 7 53.200 52.137 1.063 1
1 76 . 15 1 1 A 7 7 ALA CB C 7 18.000 19.077 -1.077 1
1 77 . 15 1 1 A 7 7 ALA N N 7 128.000 128.669 -0.669 1
1 78 . 15 1 1 A 8 8 VAL H H 8 5.280 6.938 -1.658 1
1 79 . 15 1 1 A 8 8 VAL HA H 8 2.850 3.970 -1.120 1
1 87 . 15 1 1 A 8 8 VAL CA C 8 59.700 59.611 0.089 1
1 88 . 15 1 1 A 8 8 VAL CB C 8 31.600 32.007 -0.407 1
1 91 . 15 1 1 A 8 8 VAL N N 8 117.000 119.688 -2.688 1
1 92 . 15 1 1 A 9 9 PRO HA H 9 4.340 4.400 -0.060 1
1 99 . 15 1 1 A 9 9 PRO CA C 9 62.800 62.771 0.029 1
1 100 . 15 1 1 A 9 9 PRO CB C 9 32.400 32.666 -0.266 1
1 103 . 15 1 1 A 10 10 GLN HA H 10 3.710 3.916 -0.206 1
1 110 . 15 1 1 A 10 10 GLN CA C 10 60.100 58.973 1.127 1
1 111 . 15 1 1 A 10 10 GLN CB C 10 28.000 28.324 -0.324 1
1 114 . 15 1 1 A 11 11 SER HA H 11 4.070 4.142 -0.072 1
1 117 . 15 1 1 A 11 11 SER CA C 11 61.400 61.383 0.017 1
1 118 . 15 1 1 A 11 11 SER CB C 11 61.400 62.278 -0.878 1
1 119 . 15 1 1 A 12 12 SER H H 12 7.070 7.959 -0.889 1
1 120 . 15 1 1 A 12 12 SER HA H 12 3.990 3.914 0.076 1
1 123 . 15 1 1 A 12 12 SER CA C 12 61.500 61.222 0.278 1
1 124 . 15 1 1 A 12 12 SER CB C 12 61.500 62.730 -1.230 1
1 125 . 15 1 1 A 12 12 SER N N 12 119.300 116.267 3.033 1
1 126 . 15 1 1 A 13 13 ARG H H 13 8.000 7.886 0.114 1
1 127 . 15 1 1 A 13 13 ARG HA H 13 3.930 3.925 0.005 1
1 134 . 15 1 1 A 13 13 ARG CA C 13 59.800 59.017 0.783 1
1 135 . 15 1 1 A 13 13 ARG CB C 13 30.300 29.962 0.338 1
1 138 . 15 1 1 A 13 13 ARG N N 13 121.600 122.035 -0.435 1
1 139 . 15 1 1 A 14 14 LEU H H 14 7.710 7.937 -0.227 1
1 140 . 15 1 1 A 14 14 LEU HA H 14 4.120 3.955 0.165 1
1 150 . 15 1 1 A 14 14 LEU CA C 14 57.900 57.994 -0.094 1
1 151 . 15 1 1 A 14 14 LEU CB C 14 41.900 41.604 0.296 1
1 155 . 15 1 1 A 14 14 LEU N N 14 117.100 119.671 -2.571 1
1 156 . 15 1 1 A 15 15 LYS H H 15 7.450 8.043 -0.593 1
1 157 . 15 1 1 A 15 15 LYS HA H 15 4.050 3.903 0.147 1
1 166 . 15 1 1 A 15 15 LYS CA C 15 59.100 59.094 0.006 1
1 167 . 15 1 1 A 15 15 LYS CB C 15 33.000 32.206 0.794 1
1 171 . 15 1 1 A 15 15 LYS N N 15 118.800 120.529 -1.729 1
1 172 . 15 1 1 A 16 16 TYR H H 16 8.640 7.131 1.509 1
1 173 . 15 1 1 A 16 16 TYR HA H 16 5.130 4.611 0.519 1
1 180 . 15 1 1 A 16 16 TYR CA C 16 58.900 60.802 -1.902 1
1 181 . 15 1 1 A 16 16 TYR CB C 16 37.100 39.292 -2.192 1
1 184 . 15 1 1 A 16 16 TYR N N 16 117.800 117.572 0.228 1
1 185 . 15 1 1 A 17 17 ARG H H 17 8.470 8.682 -0.212 1
1 186 . 15 1 1 A 17 17 ARG HA H 17 4.230 4.125 0.105 1
1 193 . 15 1 1 A 17 17 ARG CA C 17 59.700 59.049 0.651 1
1 194 . 15 1 1 A 17 17 ARG CB C 17 29.800 29.678 0.122 1
1 197 . 15 1 1 A 17 17 ARG N N 17 124.000 122.834 1.166 1
1 198 . 15 1 1 A 18 18 GLN H H 18 7.740 7.642 0.098 1
1 199 . 15 1 1 A 18 18 GLN HA H 18 4.190 4.215 -0.025 1
1 206 . 15 1 1 A 18 18 GLN CA C 18 59.300 58.023 1.277 1
1 207 . 15 1 1 A 18 18 GLN CB C 18 27.900 28.832 -0.932 1
1 209 . 15 1 1 A 18 18 GLN N N 18 118.000 118.568 -0.568 1
1 211 . 15 1 1 A 19 19 LEU H H 19 7.770 7.685 0.085 1
1 212 . 15 1 1 A 19 19 LEU HA H 19 4.400 4.642 -0.242 1
1 222 . 15 1 1 A 19 19 LEU CA C 19 58.000 53.993 4.007 1
1 223 . 15 1 1 A 19 19 LEU CB C 19 42.800 43.022 -0.222 1
1 227 . 15 1 1 A 19 19 LEU N N 19 120.500 120.254 0.246 1
1 228 . 15 1 1 A 20 20 PHE H H 20 8.710 7.729 0.981 1
1 229 . 15 1 1 A 20 20 PHE HA H 20 3.330 3.752 -0.422 1
1 237 . 15 1 1 A 20 20 PHE CA C 20 62.400 62.088 0.312 1
1 238 . 15 1 1 A 20 20 PHE CB C 20 38.500 39.193 -0.693 1
1 242 . 15 1 1 A 20 20 PHE N N 20 121.900 121.724 0.176 1
1 243 . 15 1 1 A 21 21 ASN H H 21 8.770 9.162 -0.392 1
1 244 . 15 1 1 A 21 21 ASN HA H 21 4.380 4.412 -0.032 1
1 249 . 15 1 1 A 21 21 ASN CA C 21 55.400 56.515 -1.115 1
1 250 . 15 1 1 A 21 21 ASN CB C 21 37.600 39.571 -1.971 1
1 251 . 15 1 1 A 21 21 ASN N N 21 117.300 117.689 -0.389 1
1 253 . 15 1 1 A 22 22 SER H H 22 7.900 8.652 -0.752 1
1 254 . 15 1 1 A 22 22 SER HA H 22 4.180 4.133 0.047 1
1 257 . 15 1 1 A 22 22 SER CA C 22 60.700 62.134 -1.434 1
1 258 . 15 1 1 A 22 22 SER CB C 22 62.900 63.271 -0.371 1
1 259 . 15 1 1 A 22 22 SER N N 22 114.800 116.141 -1.341 1
1 260 . 15 1 1 A 23 23 HIS H H 23 7.310 8.008 -0.698 1
1 261 . 15 1 1 A 23 23 HIS HA H 23 4.480 4.372 0.108 1
1 266 . 15 1 1 A 23 23 HIS CA C 23 58.000 57.843 0.157 1
1 267 . 15 1 1 A 23 23 HIS CB C 23 32.400 31.247 1.153 1
1 270 . 15 1 1 A 23 23 HIS N N 23 118.900 116.946 1.954 1
1 271 . 15 1 1 A 24 24 ASP H H 24 7.870 7.302 0.568 1
1 272 . 15 1 1 A 24 24 ASP HA H 24 4.850 4.026 0.824 1
1 275 . 15 1 1 A 24 24 ASP CA C 24 52.100 54.520 -2.420 1
1 276 . 15 1 1 A 24 24 ASP CB C 24 38.500 40.963 -2.463 1
1 277 . 15 1 1 A 24 24 ASP N N 24 122.400 118.647 3.753 1
1 278 . 15 1 1 A 25 25 LYS H H 25 7.900 8.421 -0.521 1
1 279 . 15 1 1 A 25 25 LYS HA H 25 4.070 4.662 -0.592 1
1 288 . 15 1 1 A 25 25 LYS CA C 25 58.600 55.547 3.053 1
1 289 . 15 1 1 A 25 25 LYS CB C 25 32.600 33.177 -0.577 1
1 293 . 15 1 1 A 25 25 LYS N N 25 122.400 122.625 -0.225 1
1 294 . 15 1 1 A 26 26 THR H H 26 8.120 7.870 0.250 1
1 295 . 15 1 1 A 26 26 THR HA H 26 4.340 4.473 -0.133 1
1 300 . 15 1 1 A 26 26 THR CA C 26 61.000 61.980 -0.980 1
1 301 . 15 1 1 A 26 26 THR CB C 26 69.100 70.816 -1.716 1
1 303 . 15 1 1 A 26 26 THR N N 26 106.400 112.577 -6.177 1
1 304 . 15 1 1 A 27 27 MET H H 27 8.030 8.169 -0.139 1
1 305 . 15 1 1 A 27 27 MET HA H 27 3.980 4.268 -0.288 1
1 310 . 15 1 1 A 27 27 MET CA C 27 56.600 56.876 -0.276 1
1 311 . 15 1 1 A 27 27 MET CB C 27 29.100 31.114 -2.014 1
1 313 . 15 1 1 A 27 27 MET N N 27 119.600 119.861 -0.261 1
1 314 . 15 1 1 A 28 28 SER H H 28 9.520 9.032 0.488 1
1 315 . 15 1 1 A 28 28 SER HA H 28 4.250 4.532 -0.282 1
1 318 . 15 1 1 A 28 28 SER CA C 28 60.500 59.444 1.056 1
1 319 . 15 1 1 A 28 28 SER CB C 28 64.400 61.040 3.360 1
1 320 . 15 1 1 A 28 28 SER N N 28 118.600 107.145 11.455 1
1 321 . 15 1 1 A 29 29 GLY H H 29 10.710 8.360 2.350 1
1 322 . 15 1 1 A 29 29 GLY HA2 H 29 4.380 3.953 0.427 1
1 323 . 15 1 1 A 29 29 GLY HA3 H 29 3.690 4.007 -0.317 1
1 324 . 15 1 1 A 29 29 GLY CA C 29 45.200 45.058 0.142 1
1 325 . 15 1 1 A 29 29 GLY N N 29 113.800 106.516 7.284 1
1 326 . 15 1 1 A 30 30 HIS H H 30 7.870 8.438 -0.568 1
1 327 . 15 1 1 A 30 30 HIS HA H 30 5.520 4.995 0.525 1
1 332 . 15 1 1 A 30 30 HIS CA C 30 55.800 56.409 -0.609 1
1 333 . 15 1 1 A 30 30 HIS CB C 30 32.800 29.556 3.244 1
1 336 . 15 1 1 A 30 30 HIS N N 30 115.700 116.268 -0.568 1
1 337 . 15 1 1 A 31 31 LEU H H 31 9.140 9.618 -0.478 1
1 338 . 15 1 1 A 31 31 LEU HA H 31 4.840 4.897 -0.057 1
1 348 . 15 1 1 A 31 31 LEU CA C 31 52.900 53.508 -0.608 1
1 349 . 15 1 1 A 31 31 LEU CB C 31 44.200 44.630 -0.430 1
1 353 . 15 1 1 A 31 31 LEU N N 31 117.200 120.686 -3.486 1
1 354 . 15 1 1 A 32 32 THR H H 32 8.680 8.748 -0.068 1
1 355 . 15 1 1 A 32 32 THR HA H 32 4.340 4.816 -0.476 1
1 360 . 15 1 1 A 32 32 THR CA C 32 61.500 60.491 1.009 1
1 361 . 15 1 1 A 32 32 THR CB C 32 70.200 71.550 -1.350 1
1 363 . 15 1 1 A 32 32 THR N N 32 113.400 114.395 -0.995 1
1 364 . 15 1 1 A 33 33 GLY H H 33 9.090 8.940 0.150 1
1 365 . 15 1 1 A 33 33 GLY HA2 H 33 3.970 3.942 0.028 1
1 366 . 15 1 1 A 33 33 GLY HA3 H 33 4.070 4.149 -0.079 1
1 367 . 15 1 1 A 33 33 GLY CA C 33 49.300 48.366 0.934 1
1 368 . 15 1 1 A 33 33 GLY N N 33 108.000 109.548 -1.548 1
1 369 . 15 1 1 A 34 34 PRO HA H 34 4.110 4.217 -0.107 1
1 376 . 15 1 1 A 34 34 PRO CA C 34 65.400 65.634 -0.234 1
1 377 . 15 1 1 A 34 34 PRO CB C 34 32.200 30.884 1.316 1
1 380 . 15 1 1 A 35 35 GLN H H 35 7.240 8.209 -0.969 1
1 381 . 15 1 1 A 35 35 GLN HA H 35 4.040 4.053 -0.013 1
1 388 . 15 1 1 A 35 35 GLN CA C 35 58.200 59.327 -1.127 1
1 389 . 15 1 1 A 35 35 GLN CB C 35 29.800 28.348 1.452 1
1 391 . 15 1 1 A 35 35 GLN N N 35 116.700 117.466 -0.766 1
1 393 . 15 1 1 A 36 36 ALA H H 36 9.180 8.652 0.528 1
1 394 . 15 1 1 A 36 36 ALA HA H 36 4.080 4.384 -0.304 1
1 398 . 15 1 1 A 36 36 ALA CA C 36 54.900 55.475 -0.575 1
1 399 . 15 1 1 A 36 36 ALA CB C 36 18.900 18.449 0.451 1
1 400 . 15 1 1 A 36 36 ALA N N 36 120.000 122.820 -2.820 1
1 401 . 15 1 1 A 37 37 ARG H H 37 9.060 8.665 0.395 1
1 402 . 15 1 1 A 37 37 ARG HA H 37 3.860 3.960 -0.100 1
1 409 . 15 1 1 A 37 37 ARG CA C 37 61.000 59.959 1.041 1
1 410 . 15 1 1 A 37 37 ARG CB C 37 29.900 30.311 -0.411 1
1 413 . 15 1 1 A 37 37 ARG N N 37 117.200 116.749 0.451 1
1 414 . 15 1 1 A 38 38 THR H H 38 7.620 8.272 -0.652 1
1 415 . 15 1 1 A 38 38 THR HA H 38 3.920 4.011 -0.091 1
1 420 . 15 1 1 A 38 38 THR CA C 38 66.900 67.119 -0.219 1
1 421 . 15 1 1 A 38 38 THR CB C 38 68.800 68.272 0.528 1
1 423 . 15 1 1 A 38 38 THR N N 38 114.600 118.778 -4.178 1
1 424 . 15 1 1 A 39 39 ILE H H 39 7.180 7.800 -0.620 1
1 425 . 15 1 1 A 39 39 ILE HA H 39 3.730 3.765 -0.035 1
1 435 . 15 1 1 A 39 39 ILE CA C 39 64.900 64.216 0.684 1
1 436 . 15 1 1 A 39 39 ILE CB C 39 39.000 37.198 1.802 1
1 440 . 15 1 1 A 39 39 ILE N N 39 121.500 121.219 0.281 1
1 441 . 15 1 1 A 40 40 LEU H H 40 8.480 8.300 0.180 1
1 442 . 15 1 1 A 40 40 LEU HA H 40 3.870 3.919 -0.049 1
1 452 . 15 1 1 A 40 40 LEU CA C 40 58.500 57.895 0.605 1
1 453 . 15 1 1 A 40 40 LEU CB C 40 40.800 41.563 -0.763 1
1 457 . 15 1 1 A 40 40 LEU N N 40 119.900 121.133 -1.233 1
1 458 . 15 1 1 A 41 41 MET H H 41 8.160 8.170 -0.010 1
1 459 . 15 1 1 A 41 41 MET HA H 41 4.200 4.226 -0.026 1
1 464 . 15 1 1 A 41 41 MET CA C 41 57.700 58.010 -0.310 1
1 465 . 15 1 1 A 41 41 MET CB C 41 32.500 30.958 1.542 1
1 467 . 15 1 1 A 41 41 MET N N 41 115.300 116.675 -1.375 1
1 468 . 15 1 1 A 42 42 GLN H H 42 7.600 7.531 0.069 1
1 469 . 15 1 1 A 42 42 GLN HA H 42 4.230 4.227 0.003 1
1 476 . 15 1 1 A 42 42 GLN CA C 42 57.200 58.108 -0.908 1
1 477 . 15 1 1 A 42 42 GLN CB C 42 27.900 28.776 -0.876 1
1 479 . 15 1 1 A 42 42 GLN N N 42 118.900 119.072 -0.172 1
1 481 . 15 1 1 A 43 43 SER H H 43 7.670 7.550 0.120 1
1 482 . 15 1 1 A 43 43 SER HA H 43 4.300 4.400 -0.100 1
1 485 . 15 1 1 A 43 43 SER CA C 43 59.800 58.902 0.898 1
1 486 . 15 1 1 A 43 43 SER CB C 43 65.200 64.522 0.678 1
1 487 . 15 1 1 A 43 43 SER N N 43 113.900 113.172 0.728 1
1 488 . 15 1 1 A 44 44 SER H H 44 8.040 7.952 0.088 1
1 489 . 15 1 1 A 44 44 SER HA H 44 4.300 4.165 0.135 1
1 492 . 15 1 1 A 44 44 SER CA C 44 59.400 59.718 -0.318 1
1 493 . 15 1 1 A 44 44 SER CB C 44 62.500 61.035 1.465 1
1 494 . 15 1 1 A 44 44 SER N N 44 113.500 112.871 0.629 1
1 495 . 15 1 1 A 45 45 LEU H H 45 7.430 7.437 -0.007 1
1 496 . 15 1 1 A 45 45 LEU HA H 45 4.470 4.356 0.114 1
1 506 . 15 1 1 A 45 45 LEU CA C 45 53.300 53.535 -0.235 1
1 507 . 15 1 1 A 45 45 LEU CB C 45 41.700 41.114 0.586 1
1 511 . 15 1 1 A 45 45 LEU N N 45 121.900 121.968 -0.068 1
1 512 . 15 1 1 A 46 46 PRO HA H 46 4.460 4.528 -0.068 1
1 519 . 15 1 1 A 46 46 PRO CA C 46 62.500 63.144 -0.644 1
1 520 . 15 1 1 A 46 46 PRO CB C 46 32.500 32.586 -0.086 1
1 523 . 15 1 1 A 47 47 GLN H H 47 8.820 8.984 -0.164 1
1 524 . 15 1 1 A 47 47 GLN HA H 47 3.870 3.963 -0.093 1
1 531 . 15 1 1 A 47 47 GLN CA C 47 59.600 59.105 0.495 1
1 532 . 15 1 1 A 47 47 GLN CB C 47 28.100 28.206 -0.106 1
1 534 . 15 1 1 A 47 47 GLN N N 47 123.400 123.838 -0.438 1
1 536 . 15 1 1 A 48 48 ALA H H 48 9.000 8.228 0.772 1
1 537 . 15 1 1 A 48 48 ALA HA H 48 4.150 4.061 0.089 1
1 541 . 15 1 1 A 48 48 ALA CA C 48 55.200 55.421 -0.221 1
1 542 . 15 1 1 A 48 48 ALA CB C 48 18.200 18.054 0.146 1
1 543 . 15 1 1 A 48 48 ALA N N 48 119.800 121.973 -2.173 1
1 544 . 15 1 1 A 49 49 GLN H H 49 7.190 8.175 -0.985 1
1 545 . 15 1 1 A 49 49 GLN HA H 49 4.230 3.998 0.232 1
1 552 . 15 1 1 A 49 49 GLN CA C 49 58.600 58.923 -0.323 1
1 553 . 15 1 1 A 49 49 GLN CB C 49 29.400 28.007 1.393 1
1 555 . 15 1 1 A 49 49 GLN N N 49 115.800 117.350 -1.550 1
1 557 . 15 1 1 A 50 50 LEU H H 50 7.800 8.322 -0.522 1
1 558 . 15 1 1 A 50 50 LEU HA H 50 3.930 4.007 -0.077 1
1 568 . 15 1 1 A 50 50 LEU CA C 50 57.900 57.975 -0.075 1
1 569 . 15 1 1 A 50 50 LEU CB C 50 41.100 41.522 -0.422 1
1 573 . 15 1 1 A 50 50 LEU N N 50 119.800 119.676 0.124 1
1 574 . 15 1 1 A 51 51 ALA H H 51 8.410 8.740 -0.330 1
1 575 . 15 1 1 A 51 51 ALA HA H 51 4.210 4.085 0.125 1
1 579 . 15 1 1 A 51 51 ALA CA C 51 55.100 55.340 -0.240 1
1 580 . 15 1 1 A 51 51 ALA CB C 51 17.500 17.647 -0.147 1
1 581 . 15 1 1 A 51 51 ALA N N 51 122.600 122.883 -0.283 1
1 582 . 15 1 1 A 52 52 SER H H 52 7.530 7.802 -0.272 1
1 583 . 15 1 1 A 52 52 SER HA H 52 4.310 4.227 0.083 1
1 586 . 15 1 1 A 52 52 SER CA C 52 62.200 61.582 0.618 1
1 587 . 15 1 1 A 52 52 SER CB C 52 62.600 63.013 -0.413 1
1 588 . 15 1 1 A 52 52 SER N N 52 115.300 113.019 2.281 1
1 589 . 15 1 1 A 53 53 ILE H H 53 8.270 8.113 0.157 1
1 590 . 15 1 1 A 53 53 ILE HA H 53 3.430 3.640 -0.210 1
1 600 . 15 1 1 A 53 53 ILE CA C 53 66.300 64.871 1.429 1
1 601 . 15 1 1 A 53 53 ILE CB C 53 37.900 37.422 0.478 1
1 605 . 15 1 1 A 53 53 ILE N N 53 122.000 121.708 0.292 1
1 606 . 15 1 1 A 54 54 TRP H H 54 8.480 8.503 -0.023 1
1 607 . 15 1 1 A 54 54 TRP HA H 54 3.720 4.082 -0.362 1
1 616 . 15 1 1 A 54 54 TRP CA C 54 61.400 60.620 0.780 1
1 617 . 15 1 1 A 54 54 TRP CB C 54 28.100 29.334 -1.234 1
1 623 . 15 1 1 A 54 54 TRP N N 54 122.100 121.579 0.521 1
1 625 . 15 1 1 A 55 55 ASN H H 55 7.860 8.711 -0.851 1
1 626 . 15 1 1 A 55 55 ASN HA H 55 4.350 4.516 -0.166 1
1 631 . 15 1 1 A 55 55 ASN CA C 55 55.900 56.606 -0.706 1
1 632 . 15 1 1 A 55 55 ASN CB C 55 38.500 40.282 -1.782 1
1 633 . 15 1 1 A 55 55 ASN N N 55 113.900 117.915 -4.015 1
1 635 . 15 1 1 A 56 56 LEU H H 56 8.020 8.192 -0.172 1
1 636 . 15 1 1 A 56 56 LEU HA H 56 3.990 4.073 -0.083 1
1 646 . 15 1 1 A 56 56 LEU CA C 56 56.700 57.755 -1.055 1
1 647 . 15 1 1 A 56 56 LEU CB C 56 43.900 41.287 2.613 1
1 651 . 15 1 1 A 56 56 LEU N N 56 117.500 119.480 -1.980 1
1 652 . 15 1 1 A 57 57 SER H H 57 7.280 8.111 -0.831 1
1 653 . 15 1 1 A 57 57 SER HA H 57 4.290 4.132 0.158 1
1 656 . 15 1 1 A 57 57 SER CA C 57 61.100 61.104 -0.004 1
1 657 . 15 1 1 A 57 57 SER CB C 57 64.000 62.774 1.226 1
1 658 . 15 1 1 A 57 57 SER N N 57 111.100 113.382 -2.282 1
1 659 . 15 1 1 A 58 58 ASP H H 58 7.030 7.930 -0.900 1
1 660 . 15 1 1 A 58 58 ASP HA H 58 4.650 4.251 0.399 1
1 663 . 15 1 1 A 58 58 ASP CA C 58 51.400 53.623 -2.223 1
1 664 . 15 1 1 A 58 58 ASP CB C 58 37.200 40.821 -3.621 1
1 665 . 15 1 1 A 58 58 ASP N N 58 115.600 119.774 -4.174 1
1 666 . 15 1 1 A 59 59 ILE H H 59 8.630 7.789 0.841 1
1 667 . 15 1 1 A 59 59 ILE HA H 59 3.260 3.695 -0.435 1
1 677 . 15 1 1 A 59 59 ILE CA C 59 62.900 64.995 -2.095 1
1 678 . 15 1 1 A 59 59 ILE CB C 59 36.600 37.948 -1.348 1
1 682 . 15 1 1 A 59 59 ILE N N 59 128.500 125.622 2.878 1
1 683 . 15 1 1 A 60 60 ASP H H 60 7.960 7.864 0.096 1
1 684 . 15 1 1 A 60 60 ASP HA H 60 4.480 4.805 -0.325 1
1 687 . 15 1 1 A 60 60 ASP CA C 60 52.300 52.909 -0.609 1
1 688 . 15 1 1 A 60 60 ASP CB C 60 39.100 40.838 -1.738 1
1 689 . 15 1 1 A 60 60 ASP N N 60 113.200 117.756 -4.556 1
1 690 . 15 1 1 A 61 61 GLN H H 61 7.550 7.939 -0.389 1
1 691 . 15 1 1 A 61 61 GLN HA H 61 3.800 5.024 -1.224 1
1 698 . 15 1 1 A 61 61 GLN CA C 61 57.100 56.559 0.541 1
1 699 . 15 1 1 A 61 61 GLN CB C 61 26.400 27.114 -0.714 1
1 701 . 15 1 1 A 61 61 GLN N N 61 113.800 115.791 -1.991 1
1 703 . 15 1 1 A 62 62 ASP H H 62 8.390 8.496 -0.106 1
1 704 . 15 1 1 A 62 62 ASP HA H 62 4.720 4.902 -0.182 1
1 707 . 15 1 1 A 62 62 ASP CA C 62 52.800 54.592 -1.792 1
1 708 . 15 1 1 A 62 62 ASP CB C 62 41.000 43.047 -2.047 1
1 709 . 15 1 1 A 62 62 ASP N N 62 117.700 121.573 -3.873 1
1 710 . 15 1 1 A 63 63 GLY H H 63 10.840 8.693 2.147 1
1 711 . 15 1 1 A 63 63 GLY HA2 H 63 4.310 4.135 0.175 1
1 712 . 15 1 1 A 63 63 GLY HA3 H 63 3.880 4.337 -0.457 1
1 713 . 15 1 1 A 63 63 GLY CA C 63 46.200 46.311 -0.111 1
1 714 . 15 1 1 A 63 63 GLY N N 63 114.200 108.301 5.899 1
1 715 . 15 1 1 A 64 64 LYS H H 64 8.070 7.745 0.325 1
1 716 . 15 1 1 A 64 64 LYS HA H 64 5.030 4.879 0.151 1
1 725 . 15 1 1 A 64 64 LYS CA C 64 54.200 54.318 -0.118 1
1 726 . 15 1 1 A 64 64 LYS CB C 64 36.100 35.345 0.755 1
1 730 . 15 1 1 A 64 64 LYS N N 64 117.400 120.059 -2.659 1
1 731 . 15 1 1 A 65 65 LEU H H 65 8.990 8.555 0.435 1
1 732 . 15 1 1 A 65 65 LEU HA H 65 5.750 5.001 0.749 1
1 742 . 15 1 1 A 65 65 LEU CA C 65 52.900 53.769 -0.869 1
1 743 . 15 1 1 A 65 65 LEU CB C 65 43.600 43.220 0.380 1
1 747 . 15 1 1 A 65 65 LEU N N 65 120.700 124.752 -4.052 1
1 748 . 15 1 1 A 66 66 THR H H 66 10.210 9.111 1.099 1
1 749 . 15 1 1 A 66 66 THR HA H 66 4.910 4.836 0.074 1
1 754 . 15 1 1 A 66 66 THR CA C 66 60.900 61.029 -0.129 1
1 755 . 15 1 1 A 66 66 THR CB C 66 71.200 71.409 -0.209 1
1 757 . 15 1 1 A 66 66 THR N N 66 116.300 117.882 -1.582 1
1 758 . 15 1 1 A 67 67 ALA H H 67 8.350 8.667 -0.317 1
1 759 . 15 1 1 A 67 67 ALA HA H 67 2.620 3.366 -0.746 1
1 763 . 15 1 1 A 67 67 ALA CA C 67 56.200 55.129 1.071 1
1 764 . 15 1 1 A 67 67 ALA CB C 67 18.000 17.748 0.252 1
1 765 . 15 1 1 A 67 67 ALA N N 67 122.000 123.763 -1.763 1
1 766 . 15 1 1 A 68 68 GLU H H 68 8.160 8.216 -0.056 1
1 767 . 15 1 1 A 68 68 GLU HA H 68 4.180 4.275 -0.095 1
1 772 . 15 1 1 A 68 68 GLU CA C 68 60.500 59.630 0.870 1
1 773 . 15 1 1 A 68 68 GLU CB C 68 30.500 29.397 1.103 1
1 775 . 15 1 1 A 68 68 GLU N N 68 112.200 118.483 -6.283 1
1 776 . 15 1 1 A 69 69 GLU H H 69 7.280 7.492 -0.212 1
1 777 . 15 1 1 A 69 69 GLU HA H 69 4.030 3.910 0.120 1
1 782 . 15 1 1 A 69 69 GLU CA C 69 60.100 58.757 1.343 1
1 783 . 15 1 1 A 69 69 GLU CB C 69 31.800 29.190 2.610 1
1 785 . 15 1 1 A 69 69 GLU N N 69 117.400 120.077 -2.677 1
1 786 . 15 1 1 A 70 70 PHE H H 70 8.940 8.192 0.748 1
1 787 . 15 1 1 A 70 70 PHE HA H 70 4.130 4.077 0.053 1
1 795 . 15 1 1 A 70 70 PHE CA C 70 61.900 61.496 0.404 1
1 796 . 15 1 1 A 70 70 PHE CB C 70 39.900 39.381 0.519 1
1 800 . 15 1 1 A 70 70 PHE N N 70 119.000 121.811 -2.811 1
1 801 . 15 1 1 A 71 71 ILE H H 71 8.890 8.440 0.450 1
1 802 . 15 1 1 A 71 71 ILE HA H 71 3.380 3.933 -0.553 1
1 812 . 15 1 1 A 71 71 ILE CA C 71 65.800 65.719 0.081 1
1 813 . 15 1 1 A 71 71 ILE CB C 71 39.100 38.041 1.059 1
1 817 . 15 1 1 A 71 71 ILE N N 71 119.800 120.795 -0.995 1
1 818 . 15 1 1 A 72 72 LEU H H 72 7.810 8.176 -0.366 1
1 819 . 15 1 1 A 72 72 LEU HA H 72 4.040 4.171 -0.131 1
1 829 . 15 1 1 A 72 72 LEU CA C 72 58.300 58.001 0.299 1
1 830 . 15 1 1 A 72 72 LEU CB C 72 42.600 41.776 0.824 1
1 834 . 15 1 1 A 72 72 LEU N N 72 118.100 121.285 -3.185 1
1 835 . 15 1 1 A 73 73 ALA H H 73 8.340 8.562 -0.222 1
1 836 . 15 1 1 A 73 73 ALA HA H 73 3.820 3.999 -0.179 1
1 840 . 15 1 1 A 73 73 ALA CA C 73 55.600 55.329 0.271 1
1 841 . 15 1 1 A 73 73 ALA CB C 73 17.600 18.353 -0.753 1
1 842 . 15 1 1 A 73 73 ALA N N 73 122.000 121.035 0.965 1
1 843 . 15 1 1 A 74 74 MET H H 74 7.840 8.093 -0.253 1
1 844 . 15 1 1 A 74 74 MET HA H 74 3.830 3.980 -0.150 1
1 852 . 15 1 1 A 74 74 MET CA C 74 55.400 57.074 -1.674 1
1 853 . 15 1 1 A 74 74 MET CB C 74 27.800 30.954 -3.154 1
1 856 . 15 1 1 A 74 74 MET N N 74 113.400 116.882 -3.482 1
1 857 . 15 1 1 A 75 75 HIS H H 75 8.340 7.292 1.048 1
1 858 . 15 1 1 A 75 75 HIS HA H 75 4.510 4.296 0.214 1
1 863 . 15 1 1 A 75 75 HIS CA C 75 60.000 59.124 0.876 1
1 864 . 15 1 1 A 75 75 HIS CB C 75 31.400 29.975 1.425 1
1 867 . 15 1 1 A 75 75 HIS N N 75 120.200 120.677 -0.477 1
1 868 . 15 1 1 A 76 76 LEU H H 76 8.750 8.069 0.681 1
1 869 . 15 1 1 A 76 76 LEU HA H 76 3.670 3.664 0.006 1
1 879 . 15 1 1 A 76 76 LEU CA C 76 57.700 57.880 -0.180 1
1 880 . 15 1 1 A 76 76 LEU CB C 76 41.400 41.487 -0.087 1
1 884 . 15 1 1 A 76 76 LEU N N 76 118.600 119.465 -0.865 1
1 885 . 15 1 1 A 77 77 ILE H H 77 7.980 8.141 -0.161 1
1 886 . 15 1 1 A 77 77 ILE HA H 77 3.470 3.383 0.087 1
1 896 . 15 1 1 A 77 77 ILE CA C 77 66.000 65.191 0.809 1
1 897 . 15 1 1 A 77 77 ILE CB C 77 36.500 37.669 -1.169 1
1 901 . 15 1 1 A 77 77 ILE N N 77 120.900 119.776 1.124 1
1 902 . 15 1 1 A 78 78 ASP H H 78 7.490 8.297 -0.807 1
1 903 . 15 1 1 A 78 78 ASP HA H 78 4.300 4.273 0.027 1
1 906 . 15 1 1 A 78 78 ASP CA C 78 57.900 57.503 0.397 1
1 907 . 15 1 1 A 78 78 ASP CB C 78 39.000 41.095 -2.095 1
1 908 . 15 1 1 A 78 78 ASP N N 78 121.500 120.553 0.947 1
1 909 . 15 1 1 A 79 79 VAL H H 79 8.380 7.807 0.573 1
1 910 . 15 1 1 A 79 79 VAL HA H 79 3.390 3.495 -0.105 1
1 918 . 15 1 1 A 79 79 VAL CA C 79 66.400 66.263 0.137 1
1 919 . 15 1 1 A 79 79 VAL CB C 79 31.700 31.229 0.471 1
1 922 . 15 1 1 A 79 79 VAL N N 79 122.400 119.123 3.277 1
1 923 . 15 1 1 A 80 80 ALA H H 80 8.730 8.428 0.302 1
1 924 . 15 1 1 A 80 80 ALA HA H 80 4.360 4.274 0.086 1
1 928 . 15 1 1 A 80 80 ALA CA C 80 54.800 55.062 -0.262 1
1 929 . 15 1 1 A 80 80 ALA CB C 80 18.100 17.982 0.118 1
1 930 . 15 1 1 A 80 80 ALA N N 80 125.200 122.519 2.681 1
1 931 . 15 1 1 A 81 81 MET H H 81 9.360 8.404 0.956 1
1 932 . 15 1 1 A 81 81 MET HA H 81 4.210 4.183 0.027 1
1 940 . 15 1 1 A 81 81 MET CA C 81 57.800 58.158 -0.358 1
1 941 . 15 1 1 A 81 81 MET CB C 81 31.800 32.639 -0.839 1
1 944 . 15 1 1 A 81 81 MET N N 81 119.600 118.700 0.900 1
1 945 . 15 1 1 A 82 82 SER H H 82 7.780 7.684 0.096 1
1 946 . 15 1 1 A 82 82 SER HA H 82 4.510 4.530 -0.020 1
1 949 . 15 1 1 A 82 82 SER CA C 82 59.500 58.606 0.894 1
1 950 . 15 1 1 A 82 82 SER CB C 82 64.000 63.720 0.280 1
1 951 . 15 1 1 A 82 82 SER N N 82 114.000 112.083 1.917 1
1 952 . 15 1 1 A 83 83 GLY H H 83 7.910 8.333 -0.423 1
1 953 . 15 1 1 A 83 83 GLY HA2 H 83 3.700 3.879 -0.179 1
1 954 . 15 1 1 A 83 83 GLY HA3 H 83 4.350 3.881 0.469 1
1 955 . 15 1 1 A 83 83 GLY CA C 83 44.900 45.028 -0.128 1
1 956 . 15 1 1 A 83 83 GLY N N 83 109.400 109.692 -0.292 1
1 957 . 15 1 1 A 84 84 GLN H H 84 7.100 7.857 -0.757 1
1 958 . 15 1 1 A 84 84 GLN HA H 84 4.530 4.673 -0.143 1
1 965 . 15 1 1 A 84 84 GLN CA C 84 53.100 52.785 0.315 1
1 966 . 15 1 1 A 84 84 GLN CB C 84 29.000 29.368 -0.368 1
1 968 . 15 1 1 A 84 84 GLN N N 84 120.700 120.777 -0.077 1
1 970 . 15 1 1 A 85 85 PRO HA H 85 4.360 4.618 -0.258 1
1 977 . 15 1 1 A 85 85 PRO CA C 85 61.800 62.271 -0.471 1
1 978 . 15 1 1 A 85 85 PRO CB C 85 31.800 33.079 -1.279 1
1 981 . 15 1 1 A 86 86 LEU H H 86 8.360 8.321 0.039 1
1 982 . 15 1 1 A 86 86 LEU HA H 86 4.380 4.780 -0.400 1
1 992 . 15 1 1 A 86 86 LEU CA C 86 51.600 51.902 -0.302 1
1 993 . 15 1 1 A 86 86 LEU CB C 86 41.000 45.278 -4.278 1
1 997 . 15 1 1 A 86 86 LEU N N 86 121.700 121.544 0.156 1
1 998 . 15 1 1 A 87 87 PRO HA H 87 4.740 4.609 0.131 1
1 1005 . 15 1 1 A 87 87 PRO CA C 87 60.800 61.864 -1.064 1
1 1006 . 15 1 1 A 87 87 PRO CB C 87 30.900 32.469 -1.569 1
1 1009 . 15 1 1 A 88 88 PRO HA H 88 4.330 4.348 -0.018 1
1 1016 . 15 1 1 A 88 88 PRO CA C 88 63.900 64.809 -0.909 1
1 1017 . 15 1 1 A 88 88 PRO CB C 88 31.700 32.293 -0.593 1
1 1020 . 15 1 1 A 89 89 VAL H H 89 6.840 7.170 -0.330 1
1 1021 . 15 1 1 A 89 89 VAL HA H 89 4.030 4.685 -0.655 1
1 1029 . 15 1 1 A 89 89 VAL CA C 89 59.300 59.150 0.150 1
1 1030 . 15 1 1 A 89 89 VAL CB C 89 35.500 35.499 0.001 1
1 1033 . 15 1 1 A 89 89 VAL N N 89 112.700 109.889 2.811 1
1 1034 . 15 1 1 A 90 90 LEU H H 90 8.990 8.345 0.645 1
1 1035 . 15 1 1 A 90 90 LEU HA H 90 4.150 4.757 -0.607 1
1 1045 . 15 1 1 A 90 90 LEU CA C 90 53.500 52.559 0.941 1
1 1046 . 15 1 1 A 90 90 LEU CB C 90 42.200 43.450 -1.250 1
1 1050 . 15 1 1 A 90 90 LEU N N 90 127.800 126.466 1.334 1
1 1051 . 15 1 1 A 91 91 PRO HA H 91 4.830 4.744 0.086 1
1 1058 . 15 1 1 A 91 91 PRO CA C 91 61.100 61.728 -0.628 1
1 1059 . 15 1 1 A 91 91 PRO CB C 91 31.300 32.291 -0.991 1
1 1062 . 15 1 1 A 92 92 PRO HA H 92 4.230 4.204 0.026 1
1 1069 . 15 1 1 A 92 92 PRO CA C 92 65.100 65.293 -0.193 1
1 1070 . 15 1 1 A 92 92 PRO CB C 92 31.800 31.957 -0.157 1
1 1073 . 15 1 1 A 93 93 GLU H H 93 10.180 8.736 1.444 1
1 1074 . 15 1 1 A 93 93 GLU HA H 93 4.300 4.227 0.073 1
1 1079 . 15 1 1 A 93 93 GLU CA C 93 58.700 58.529 0.171 1
1 1080 . 15 1 1 A 93 93 GLU CB C 93 27.500 29.310 -1.810 1
1 1082 . 15 1 1 A 93 93 GLU N N 93 116.400 116.706 -0.306 1
1 1083 . 15 1 1 A 94 94 TYR H H 94 8.510 8.378 0.132 1
1 1084 . 15 1 1 A 94 94 TYR HA H 94 4.510 5.169 -0.659 1
1 1091 . 15 1 1 A 94 94 TYR CA C 94 60.100 57.156 2.944 1
1 1092 . 15 1 1 A 94 94 TYR CB C 94 39.600 38.638 0.962 1
1 1095 . 15 1 1 A 94 94 TYR N N 94 119.400 115.781 3.619 1
1 1096 . 15 1 1 A 95 95 ILE H H 95 7.800 7.292 0.508 1
1 1097 . 15 1 1 A 95 95 ILE HA H 95 3.940 4.237 -0.297 1
1 1107 . 15 1 1 A 95 95 ILE CA C 95 60.200 58.166 2.034 1
1 1108 . 15 1 1 A 95 95 ILE CB C 95 37.800 38.022 -0.222 1
1 1112 . 15 1 1 A 95 95 ILE N N 95 124.500 122.345 2.155 1
1 1113 . 15 1 1 A 96 96 PRO HA H 96 2.770 3.161 -0.391 1
1 1120 . 15 1 1 A 96 96 PRO CA C 96 60.700 61.135 -0.435 1
1 1121 . 15 1 1 A 96 96 PRO CB C 96 31.400 32.106 -0.706 1
1 1124 . 15 1 1 A 97 97 PRO HA H 97 3.680 4.082 -0.402 1
1 1131 . 15 1 1 A 97 97 PRO CA C 97 65.900 65.089 0.811 1
1 1132 . 15 1 1 A 97 97 PRO CB C 97 32.100 31.936 0.164 1
1 1135 . 15 1 1 A 98 98 SER H H 98 9.160 7.920 1.240 1
1 1136 . 15 1 1 A 98 98 SER HA H 98 3.980 4.174 -0.194 1
1 1139 . 15 1 1 A 98 98 SER CA C 98 60.900 59.471 1.429 1
1 1140 . 15 1 1 A 98 98 SER CB C 98 62.200 62.639 -0.439 1
1 1141 . 15 1 1 A 98 98 SER N N 98 112.400 111.932 0.468 1
1 1142 . 15 1 1 A 99 99 PHE H H 99 7.950 7.421 0.529 1
1 1143 . 15 1 1 A 99 99 PHE HA H 99 4.470 4.587 -0.117 1
1 1151 . 15 1 1 A 99 99 PHE CA C 99 58.500 58.854 -0.354 1
1 1152 . 15 1 1 A 99 99 PHE CB C 99 40.100 40.337 -0.237 1
1 1156 . 15 1 1 A 99 99 PHE N N 99 118.800 118.670 0.130 1
1 1157 . 15 1 1 A 100 100 ARG H H 100 7.350 8.571 -1.221 1
1 1158 . 15 1 1 A 100 100 ARG HA H 100 4.270 4.135 0.135 1
1 1165 . 15 1 1 A 100 100 ARG CA C 100 56.600 58.603 -2.003 1
1 1166 . 15 1 1 A 100 100 ARG CB C 100 30.300 29.911 0.389 1
1 1169 . 15 1 1 A 100 100 ARG N N 100 120.200 119.116 1.084 1
1 1170 . 15 1 1 A 101 101 ARG H H 101 8.180 7.128 1.052 1
1 1171 . 15 1 1 A 101 101 ARG HA H 101 4.270 4.451 -0.181 1
1 1177 . 15 1 1 A 101 101 ARG CA C 101 56.700 55.873 0.827 1
1 1178 . 15 1 1 A 101 101 ARG CB C 101 30.700 31.234 -0.534 1
1 1181 . 15 1 1 A 101 101 ARG N N 101 121.100 119.122 1.978 1
1 1182 . 15 1 1 A 102 102 VAL H H 102 8.160 8.721 -0.561 1
1 1183 . 15 1 1 A 102 102 VAL HA H 102 4.080 4.208 -0.128 1
1 1191 . 15 1 1 A 102 102 VAL CA C 102 62.500 61.423 1.077 1
1 1192 . 15 1 1 A 102 102 VAL CB C 102 32.700 32.865 -0.165 1
1 1195 . 15 1 1 A 102 102 VAL N N 102 121.500 126.316 -4.816 1
1 1196 . 15 1 1 A 103 103 ARG H H 103 7.920 7.727 0.193 1
1 1197 . 15 1 1 A 103 103 ARG HA H 103 4.160 4.700 -0.540 1
1 1204 . 15 1 1 A 103 103 ARG CA C 103 57.300 53.790 3.510 1
1 1205 . 15 1 1 A 103 103 ARG CB C 103 31.600 33.396 -1.796 1
1 1208 . 15 1 1 A 103 103 ARG N N 103 129.400 119.126 10.274 1
1 1209 . 15 1 1 A 104 104 LEU H H 104 8.190 8.707 -0.517 1
1 1210 . 15 1 1 A 104 104 LEU N N 104 122.800 120.089 2.711 1
1 1211 . 15 1 1 A 105 105 GLU H H 105 8.220 8.504 -0.284 1
1 8 . 16 1 1 A 2 2 PRO HA H 2 4.430 4.468 -0.038 1
1 15 . 16 1 1 A 2 2 PRO CA C 2 62.800 62.905 -0.105 1
1 16 . 16 1 1 A 2 2 PRO CB C 2 31.900 31.768 0.132 1
1 19 . 16 1 1 A 3 3 VAL H H 3 8.130 8.291 -0.161 1
1 20 . 16 1 1 A 3 3 VAL HA H 3 4.030 4.122 -0.092 1
1 28 . 16 1 1 A 3 3 VAL CA C 3 62.200 62.729 -0.529 1
1 29 . 16 1 1 A 3 3 VAL CB C 3 32.700 31.742 0.958 1
1 32 . 16 1 1 A 3 3 VAL N N 3 120.100 122.513 -2.413 1
1 33 . 16 1 1 A 4 4 ALA H H 4 8.330 8.538 -0.208 1
1 34 . 16 1 1 A 4 4 ALA HA H 4 4.310 4.537 -0.227 1
1 38 . 16 1 1 A 4 4 ALA CA C 4 52.100 51.096 1.004 1
1 39 . 16 1 1 A 4 4 ALA CB C 4 19.400 19.492 -0.092 1
1 40 . 16 1 1 A 4 4 ALA N N 4 127.300 131.156 -3.856 1
1 41 . 16 1 1 A 5 5 GLU H H 5 8.290 8.249 0.041 1
1 42 . 16 1 1 A 5 5 GLU HA H 5 4.290 4.510 -0.220 1
1 47 . 16 1 1 A 5 5 GLU CA C 5 56.100 58.103 -2.003 1
1 48 . 16 1 1 A 5 5 GLU CB C 5 30.500 28.625 1.875 1
1 50 . 16 1 1 A 5 5 GLU N N 5 121.000 114.403 6.597 1
1 51 . 16 1 1 A 6 6 TRP H H 6 8.670 8.774 -0.104 1
1 52 . 16 1 1 A 6 6 TRP HA H 6 5.020 4.517 0.503 1
1 61 . 16 1 1 A 6 6 TRP CA C 6 54.500 58.017 -3.517 1
1 62 . 16 1 1 A 6 6 TRP CB C 6 30.100 28.009 2.091 1
1 68 . 16 1 1 A 6 6 TRP N N 6 124.900 123.562 1.338 1
1 70 . 16 1 1 A 7 7 ALA H H 7 7.850 9.385 -1.535 1
1 71 . 16 1 1 A 7 7 ALA HA H 7 3.790 4.114 -0.324 1
1 75 . 16 1 1 A 7 7 ALA CA C 7 53.200 51.451 1.749 1
1 76 . 16 1 1 A 7 7 ALA CB C 7 18.000 17.187 0.813 1
1 77 . 16 1 1 A 7 7 ALA N N 7 128.000 128.271 -0.271 1
1 78 . 16 1 1 A 8 8 VAL H H 8 5.280 8.011 -2.731 1
1 79 . 16 1 1 A 8 8 VAL HA H 8 2.850 4.173 -1.323 1
1 87 . 16 1 1 A 8 8 VAL CA C 8 59.700 57.669 2.031 1
1 88 . 16 1 1 A 8 8 VAL CB C 8 31.600 33.965 -2.365 1
1 91 . 16 1 1 A 8 8 VAL N N 8 117.000 120.764 -3.764 1
1 92 . 16 1 1 A 9 9 PRO HA H 9 4.340 4.413 -0.073 1
1 99 . 16 1 1 A 9 9 PRO CA C 9 62.800 63.287 -0.487 1
1 100 . 16 1 1 A 9 9 PRO CB C 9 32.400 32.475 -0.075 1
1 103 . 16 1 1 A 10 10 GLN HA H 10 3.710 3.915 -0.205 1
1 110 . 16 1 1 A 10 10 GLN CA C 10 60.100 59.069 1.031 1
1 111 . 16 1 1 A 10 10 GLN CB C 10 28.000 28.650 -0.650 1
1 114 . 16 1 1 A 11 11 SER HA H 11 4.070 4.125 -0.055 1
1 117 . 16 1 1 A 11 11 SER CA C 11 61.400 61.705 -0.305 1
1 118 . 16 1 1 A 11 11 SER CB C 11 61.400 62.765 -1.365 1
1 119 . 16 1 1 A 12 12 SER H H 12 7.070 8.086 -1.016 1
1 120 . 16 1 1 A 12 12 SER HA H 12 3.990 4.041 -0.051 1
1 123 . 16 1 1 A 12 12 SER CA C 12 61.500 61.198 0.302 1
1 124 . 16 1 1 A 12 12 SER CB C 12 61.500 62.984 -1.484 1
1 125 . 16 1 1 A 12 12 SER N N 12 119.300 117.964 1.336 1
1 126 . 16 1 1 A 13 13 ARG H H 13 8.000 8.357 -0.357 1
1 127 . 16 1 1 A 13 13 ARG HA H 13 3.930 4.240 -0.310 1
1 134 . 16 1 1 A 13 13 ARG CA C 13 59.800 58.912 0.888 1
1 135 . 16 1 1 A 13 13 ARG CB C 13 30.300 29.659 0.641 1
1 138 . 16 1 1 A 13 13 ARG N N 13 121.600 119.908 1.692 1
1 139 . 16 1 1 A 14 14 LEU H H 14 7.710 8.392 -0.682 1
1 140 . 16 1 1 A 14 14 LEU HA H 14 4.120 3.972 0.148 1
1 150 . 16 1 1 A 14 14 LEU CA C 14 57.900 58.013 -0.113 1
1 151 . 16 1 1 A 14 14 LEU CB C 14 41.900 41.625 0.275 1
1 155 . 16 1 1 A 14 14 LEU N N 14 117.100 121.195 -4.095 1
1 156 . 16 1 1 A 15 15 LYS H H 15 7.450 7.609 -0.159 1
1 157 . 16 1 1 A 15 15 LYS HA H 15 4.050 3.920 0.130 1
1 166 . 16 1 1 A 15 15 LYS CA C 15 59.100 58.982 0.118 1
1 167 . 16 1 1 A 15 15 LYS CB C 15 33.000 31.883 1.117 1
1 171 . 16 1 1 A 15 15 LYS N N 15 118.800 120.532 -1.732 1
1 172 . 16 1 1 A 16 16 TYR H H 16 8.640 7.056 1.584 1
1 173 . 16 1 1 A 16 16 TYR HA H 16 5.130 4.583 0.547 1
1 180 . 16 1 1 A 16 16 TYR CA C 16 58.900 61.065 -2.165 1
1 181 . 16 1 1 A 16 16 TYR CB C 16 37.100 38.412 -1.312 1
1 184 . 16 1 1 A 16 16 TYR N N 16 117.800 117.832 -0.032 1
1 185 . 16 1 1 A 17 17 ARG H H 17 8.470 8.804 -0.334 1
1 186 . 16 1 1 A 17 17 ARG HA H 17 4.230 4.178 0.052 1
1 193 . 16 1 1 A 17 17 ARG CA C 17 59.700 59.271 0.429 1
1 194 . 16 1 1 A 17 17 ARG CB C 17 29.800 29.687 0.113 1
1 197 . 16 1 1 A 17 17 ARG N N 17 124.000 122.077 1.923 1
1 198 . 16 1 1 A 18 18 GLN H H 18 7.740 7.927 -0.187 1
1 199 . 16 1 1 A 18 18 GLN HA H 18 4.190 4.282 -0.092 1
1 206 . 16 1 1 A 18 18 GLN CA C 18 59.300 57.880 1.420 1
1 207 . 16 1 1 A 18 18 GLN CB C 18 27.900 29.110 -1.210 1
1 209 . 16 1 1 A 18 18 GLN N N 18 118.000 117.106 0.894 1
1 211 . 16 1 1 A 19 19 LEU H H 19 7.770 7.965 -0.195 1
1 212 . 16 1 1 A 19 19 LEU HA H 19 4.400 4.660 -0.260 1
1 222 . 16 1 1 A 19 19 LEU CA C 19 58.000 53.734 4.266 1
1 223 . 16 1 1 A 19 19 LEU CB C 19 42.800 43.270 -0.470 1
1 227 . 16 1 1 A 19 19 LEU N N 19 120.500 121.588 -1.088 1
1 228 . 16 1 1 A 20 20 PHE H H 20 8.710 7.912 0.798 1
1 229 . 16 1 1 A 20 20 PHE HA H 20 3.330 3.693 -0.363 1
1 237 . 16 1 1 A 20 20 PHE CA C 20 62.400 62.196 0.204 1
1 238 . 16 1 1 A 20 20 PHE CB C 20 38.500 39.166 -0.666 1
1 242 . 16 1 1 A 20 20 PHE N N 20 121.900 121.756 0.144 1
1 243 . 16 1 1 A 21 21 ASN H H 21 8.770 9.210 -0.440 1
1 244 . 16 1 1 A 21 21 ASN HA H 21 4.380 4.408 -0.028 1
1 249 . 16 1 1 A 21 21 ASN CA C 21 55.400 56.499 -1.099 1
1 250 . 16 1 1 A 21 21 ASN CB C 21 37.600 39.463 -1.863 1
1 251 . 16 1 1 A 21 21 ASN N N 21 117.300 117.655 -0.355 1
1 253 . 16 1 1 A 22 22 SER H H 22 7.900 8.447 -0.547 1
1 254 . 16 1 1 A 22 22 SER HA H 22 4.180 4.183 -0.003 1
1 257 . 16 1 1 A 22 22 SER CA C 22 60.700 61.760 -1.060 1
1 258 . 16 1 1 A 22 22 SER CB C 22 62.900 63.164 -0.264 1
1 259 . 16 1 1 A 22 22 SER N N 22 114.800 115.900 -1.100 1
1 260 . 16 1 1 A 23 23 HIS H H 23 7.310 8.267 -0.957 1
1 261 . 16 1 1 A 23 23 HIS HA H 23 4.480 4.490 -0.010 1
1 266 . 16 1 1 A 23 23 HIS CA C 23 58.000 56.717 1.283 1
1 267 . 16 1 1 A 23 23 HIS CB C 23 32.400 30.122 2.278 1
1 270 . 16 1 1 A 23 23 HIS N N 23 118.900 116.719 2.181 1
1 271 . 16 1 1 A 24 24 ASP H H 24 7.870 7.720 0.150 1
1 272 . 16 1 1 A 24 24 ASP HA H 24 4.850 4.519 0.331 1
1 275 . 16 1 1 A 24 24 ASP CA C 24 52.100 52.649 -0.549 1
1 276 . 16 1 1 A 24 24 ASP CB C 24 38.500 42.977 -4.477 1
1 277 . 16 1 1 A 24 24 ASP N N 24 122.400 121.490 0.910 1
1 278 . 16 1 1 A 25 25 LYS H H 25 7.900 8.845 -0.945 1
1 279 . 16 1 1 A 25 25 LYS HA H 25 4.070 4.460 -0.390 1
1 288 . 16 1 1 A 25 25 LYS CA C 25 58.600 56.423 2.177 1
1 289 . 16 1 1 A 25 25 LYS CB C 25 32.600 33.984 -1.384 1
1 293 . 16 1 1 A 25 25 LYS N N 25 122.400 122.339 0.061 1
1 294 . 16 1 1 A 26 26 THR H H 26 8.120 8.371 -0.251 1
1 295 . 16 1 1 A 26 26 THR HA H 26 4.340 4.576 -0.236 1
1 300 . 16 1 1 A 26 26 THR CA C 26 61.000 62.313 -1.313 1
1 301 . 16 1 1 A 26 26 THR CB C 26 69.100 69.645 -0.545 1
1 303 . 16 1 1 A 26 26 THR N N 26 106.400 107.584 -1.184 1
1 304 . 16 1 1 A 27 27 MET H H 27 8.030 7.839 0.191 1
1 305 . 16 1 1 A 27 27 MET HA H 27 3.980 4.816 -0.836 1
1 310 . 16 1 1 A 27 27 MET CA C 27 56.600 55.563 1.037 1
1 311 . 16 1 1 A 27 27 MET CB C 27 29.100 35.338 -6.238 1
1 313 . 16 1 1 A 27 27 MET N N 27 119.600 119.557 0.043 1
1 314 . 16 1 1 A 28 28 SER H H 28 9.520 9.107 0.413 1
1 315 . 16 1 1 A 28 28 SER HA H 28 4.250 4.473 -0.223 1
1 318 . 16 1 1 A 28 28 SER CA C 28 60.500 59.819 0.681 1
1 319 . 16 1 1 A 28 28 SER CB C 28 64.400 61.659 2.741 1
1 320 . 16 1 1 A 28 28 SER N N 28 118.600 121.903 -3.303 1
1 321 . 16 1 1 A 29 29 GLY H H 29 10.710 9.130 1.580 1
1 322 . 16 1 1 A 29 29 GLY HA2 H 29 4.380 3.876 0.504 1
1 323 . 16 1 1 A 29 29 GLY HA3 H 29 3.690 3.960 -0.270 1
1 324 . 16 1 1 A 29 29 GLY CA C 29 45.200 45.332 -0.132 1
1 325 . 16 1 1 A 29 29 GLY N N 29 113.800 106.509 7.291 1
1 326 . 16 1 1 A 30 30 HIS H H 30 7.870 8.461 -0.591 1
1 327 . 16 1 1 A 30 30 HIS HA H 30 5.520 4.942 0.578 1
1 332 . 16 1 1 A 30 30 HIS CA C 30 55.800 56.006 -0.206 1
1 333 . 16 1 1 A 30 30 HIS CB C 30 32.800 28.062 4.738 1
1 336 . 16 1 1 A 30 30 HIS N N 30 115.700 116.231 -0.531 1
1 337 . 16 1 1 A 31 31 LEU H H 31 9.140 9.384 -0.244 1
1 338 . 16 1 1 A 31 31 LEU HA H 31 4.840 4.848 -0.008 1
1 348 . 16 1 1 A 31 31 LEU CA C 31 52.900 53.660 -0.760 1
1 349 . 16 1 1 A 31 31 LEU CB C 31 44.200 44.266 -0.066 1
1 353 . 16 1 1 A 31 31 LEU N N 31 117.200 121.628 -4.428 1
1 354 . 16 1 1 A 32 32 THR H H 32 8.680 8.781 -0.101 1
1 355 . 16 1 1 A 32 32 THR HA H 32 4.340 4.822 -0.482 1
1 360 . 16 1 1 A 32 32 THR CA C 32 61.500 60.499 1.001 1
1 361 . 16 1 1 A 32 32 THR CB C 32 70.200 71.419 -1.219 1
1 363 . 16 1 1 A 32 32 THR N N 32 113.400 115.457 -2.057 1
1 364 . 16 1 1 A 33 33 GLY H H 33 9.090 8.974 0.116 1
1 365 . 16 1 1 A 33 33 GLY HA2 H 33 3.970 3.896 0.074 1
1 366 . 16 1 1 A 33 33 GLY HA3 H 33 4.070 4.149 -0.079 1
1 367 . 16 1 1 A 33 33 GLY CA C 33 49.300 48.361 0.939 1
1 368 . 16 1 1 A 33 33 GLY N N 33 108.000 109.679 -1.679 1
1 369 . 16 1 1 A 34 34 PRO HA H 34 4.110 4.195 -0.085 1
1 376 . 16 1 1 A 34 34 PRO CA C 34 65.400 65.616 -0.216 1
1 377 . 16 1 1 A 34 34 PRO CB C 34 32.200 30.810 1.390 1
1 380 . 16 1 1 A 35 35 GLN H H 35 7.240 8.200 -0.960 1
1 381 . 16 1 1 A 35 35 GLN HA H 35 4.040 4.091 -0.051 1
1 388 . 16 1 1 A 35 35 GLN CA C 35 58.200 59.283 -1.083 1
1 389 . 16 1 1 A 35 35 GLN CB C 35 29.800 28.482 1.318 1
1 391 . 16 1 1 A 35 35 GLN N N 35 116.700 117.438 -0.738 1
1 393 . 16 1 1 A 36 36 ALA H H 36 9.180 8.674 0.506 1
1 394 . 16 1 1 A 36 36 ALA HA H 36 4.080 4.479 -0.399 1
1 398 . 16 1 1 A 36 36 ALA CA C 36 54.900 55.502 -0.602 1
1 399 . 16 1 1 A 36 36 ALA CB C 36 18.900 18.451 0.449 1
1 400 . 16 1 1 A 36 36 ALA N N 36 120.000 122.887 -2.887 1
1 401 . 16 1 1 A 37 37 ARG H H 37 9.060 8.689 0.371 1
1 402 . 16 1 1 A 37 37 ARG HA H 37 3.860 3.939 -0.079 1
1 409 . 16 1 1 A 37 37 ARG CA C 37 61.000 59.836 1.164 1
1 410 . 16 1 1 A 37 37 ARG CB C 37 29.900 30.175 -0.275 1
1 413 . 16 1 1 A 37 37 ARG N N 37 117.200 116.941 0.259 1
1 414 . 16 1 1 A 38 38 THR H H 38 7.620 8.166 -0.546 1
1 415 . 16 1 1 A 38 38 THR HA H 38 3.920 3.926 -0.006 1
1 420 . 16 1 1 A 38 38 THR CA C 38 66.900 66.906 -0.006 1
1 421 . 16 1 1 A 38 38 THR CB C 38 68.800 67.869 0.931 1
1 423 . 16 1 1 A 38 38 THR N N 38 114.600 118.643 -4.043 1
1 424 . 16 1 1 A 39 39 ILE H H 39 7.180 7.673 -0.493 1
1 425 . 16 1 1 A 39 39 ILE HA H 39 3.730 3.854 -0.124 1
1 435 . 16 1 1 A 39 39 ILE CA C 39 64.900 64.277 0.623 1
1 436 . 16 1 1 A 39 39 ILE CB C 39 39.000 37.137 1.863 1
1 440 . 16 1 1 A 39 39 ILE N N 39 121.500 121.558 -0.058 1
1 441 . 16 1 1 A 40 40 LEU H H 40 8.480 8.337 0.143 1
1 442 . 16 1 1 A 40 40 LEU HA H 40 3.870 3.933 -0.063 1
1 452 . 16 1 1 A 40 40 LEU CA C 40 58.500 57.921 0.579 1
1 453 . 16 1 1 A 40 40 LEU CB C 40 40.800 41.487 -0.687 1
1 457 . 16 1 1 A 40 40 LEU N N 40 119.900 121.078 -1.178 1
1 458 . 16 1 1 A 41 41 MET H H 41 8.160 8.488 -0.328 1
1 459 . 16 1 1 A 41 41 MET HA H 41 4.200 4.243 -0.043 1
1 464 . 16 1 1 A 41 41 MET CA C 41 57.700 57.593 0.107 1
1 465 . 16 1 1 A 41 41 MET CB C 41 32.500 31.280 1.220 1
1 467 . 16 1 1 A 41 41 MET N N 41 115.300 116.862 -1.562 1
1 468 . 16 1 1 A 42 42 GLN H H 42 7.600 7.580 0.020 1
1 469 . 16 1 1 A 42 42 GLN HA H 42 4.230 4.265 -0.035 1
1 476 . 16 1 1 A 42 42 GLN CA C 42 57.200 57.946 -0.746 1
1 477 . 16 1 1 A 42 42 GLN CB C 42 27.900 28.635 -0.735 1
1 479 . 16 1 1 A 42 42 GLN N N 42 118.900 119.161 -0.261 1
1 481 . 16 1 1 A 43 43 SER H H 43 7.670 7.632 0.038 1
1 482 . 16 1 1 A 43 43 SER HA H 43 4.300 4.322 -0.022 1
1 485 . 16 1 1 A 43 43 SER CA C 43 59.800 59.653 0.147 1
1 486 . 16 1 1 A 43 43 SER CB C 43 65.200 64.215 0.985 1
1 487 . 16 1 1 A 43 43 SER N N 43 113.900 113.211 0.689 1
1 488 . 16 1 1 A 44 44 SER H H 44 8.040 7.967 0.073 1
1 489 . 16 1 1 A 44 44 SER HA H 44 4.300 4.080 0.220 1
1 492 . 16 1 1 A 44 44 SER CA C 44 59.400 59.463 -0.063 1
1 493 . 16 1 1 A 44 44 SER CB C 44 62.500 62.761 -0.261 1
1 494 . 16 1 1 A 44 44 SER N N 44 113.500 115.926 -2.426 1
1 495 . 16 1 1 A 45 45 LEU H H 45 7.430 7.437 -0.007 1
1 496 . 16 1 1 A 45 45 LEU HA H 45 4.470 4.425 0.045 1
1 506 . 16 1 1 A 45 45 LEU CA C 45 53.300 53.033 0.267 1
1 507 . 16 1 1 A 45 45 LEU CB C 45 41.700 41.148 0.552 1
1 511 . 16 1 1 A 45 45 LEU N N 45 121.900 122.002 -0.102 1
1 512 . 16 1 1 A 46 46 PRO HA H 46 4.460 4.547 -0.087 1
1 519 . 16 1 1 A 46 46 PRO CA C 46 62.500 62.849 -0.349 1
1 520 . 16 1 1 A 46 46 PRO CB C 46 32.500 32.592 -0.092 1
1 523 . 16 1 1 A 47 47 GLN H H 47 8.820 8.542 0.278 1
1 524 . 16 1 1 A 47 47 GLN HA H 47 3.870 3.845 0.025 1
1 531 . 16 1 1 A 47 47 GLN CA C 47 59.600 58.976 0.624 1
1 532 . 16 1 1 A 47 47 GLN CB C 47 28.100 28.425 -0.325 1
1 534 . 16 1 1 A 47 47 GLN N N 47 123.400 122.221 1.179 1
1 536 . 16 1 1 A 48 48 ALA H H 48 9.000 8.217 0.783 1
1 537 . 16 1 1 A 48 48 ALA HA H 48 4.150 4.080 0.070 1
1 541 . 16 1 1 A 48 48 ALA CA C 48 55.200 55.043 0.157 1
1 542 . 16 1 1 A 48 48 ALA CB C 48 18.200 18.585 -0.385 1
1 543 . 16 1 1 A 48 48 ALA N N 48 119.800 122.443 -2.643 1
1 544 . 16 1 1 A 49 49 GLN H H 49 7.190 7.783 -0.593 1
1 545 . 16 1 1 A 49 49 GLN HA H 49 4.230 4.041 0.189 1
1 552 . 16 1 1 A 49 49 GLN CA C 49 58.600 58.729 -0.129 1
1 553 . 16 1 1 A 49 49 GLN CB C 49 29.400 28.485 0.915 1
1 555 . 16 1 1 A 49 49 GLN N N 49 115.800 117.788 -1.988 1
1 557 . 16 1 1 A 50 50 LEU H H 50 7.800 8.067 -0.267 1
1 558 . 16 1 1 A 50 50 LEU HA H 50 3.930 3.953 -0.023 1
1 568 . 16 1 1 A 50 50 LEU CA C 50 57.900 57.881 0.019 1
1 569 . 16 1 1 A 50 50 LEU CB C 50 41.100 41.587 -0.487 1
1 573 . 16 1 1 A 50 50 LEU N N 50 119.800 120.302 -0.502 1
1 574 . 16 1 1 A 51 51 ALA H H 51 8.410 9.028 -0.618 1
1 575 . 16 1 1 A 51 51 ALA HA H 51 4.210 4.117 0.093 1
1 579 . 16 1 1 A 51 51 ALA CA C 51 55.100 55.333 -0.233 1
1 580 . 16 1 1 A 51 51 ALA CB C 51 17.500 17.767 -0.267 1
1 581 . 16 1 1 A 51 51 ALA N N 51 122.600 122.173 0.427 1
1 582 . 16 1 1 A 52 52 SER H H 52 7.530 7.634 -0.104 1
1 583 . 16 1 1 A 52 52 SER HA H 52 4.310 4.233 0.077 1
1 586 . 16 1 1 A 52 52 SER CA C 52 62.200 61.576 0.624 1
1 587 . 16 1 1 A 52 52 SER CB C 52 62.600 63.015 -0.415 1
1 588 . 16 1 1 A 52 52 SER N N 52 115.300 113.106 2.194 1
1 589 . 16 1 1 A 53 53 ILE H H 53 8.270 8.197 0.073 1
1 590 . 16 1 1 A 53 53 ILE HA H 53 3.430 3.736 -0.306 1
1 600 . 16 1 1 A 53 53 ILE CA C 53 66.300 65.028 1.272 1
1 601 . 16 1 1 A 53 53 ILE CB C 53 37.900 37.723 0.177 1
1 605 . 16 1 1 A 53 53 ILE N N 53 122.000 121.968 0.032 1
1 606 . 16 1 1 A 54 54 TRP H H 54 8.480 8.415 0.065 1
1 607 . 16 1 1 A 54 54 TRP HA H 54 3.720 4.070 -0.350 1
1 616 . 16 1 1 A 54 54 TRP CA C 54 61.400 60.661 0.739 1
1 617 . 16 1 1 A 54 54 TRP CB C 54 28.100 29.332 -1.232 1
1 623 . 16 1 1 A 54 54 TRP N N 54 122.100 121.704 0.396 1
1 625 . 16 1 1 A 55 55 ASN H H 55 7.860 8.665 -0.805 1
1 626 . 16 1 1 A 55 55 ASN HA H 55 4.350 4.441 -0.091 1
1 631 . 16 1 1 A 55 55 ASN CA C 55 55.900 56.533 -0.633 1
1 632 . 16 1 1 A 55 55 ASN CB C 55 38.500 40.179 -1.679 1
1 633 . 16 1 1 A 55 55 ASN N N 55 113.900 117.860 -3.960 1
1 635 . 16 1 1 A 56 56 LEU H H 56 8.020 8.033 -0.013 1
1 636 . 16 1 1 A 56 56 LEU HA H 56 3.990 4.049 -0.059 1
1 646 . 16 1 1 A 56 56 LEU CA C 56 56.700 57.557 -0.857 1
1 647 . 16 1 1 A 56 56 LEU CB C 56 43.900 41.314 2.586 1
1 651 . 16 1 1 A 56 56 LEU N N 56 117.500 119.351 -1.851 1
1 652 . 16 1 1 A 57 57 SER H H 57 7.280 7.789 -0.509 1
1 653 . 16 1 1 A 57 57 SER HA H 57 4.290 4.035 0.255 1
1 656 . 16 1 1 A 57 57 SER CA C 57 61.100 61.136 -0.036 1
1 657 . 16 1 1 A 57 57 SER CB C 57 64.000 62.737 1.263 1
1 658 . 16 1 1 A 57 57 SER N N 57 111.100 113.499 -2.399 1
1 659 . 16 1 1 A 58 58 ASP H H 58 7.030 7.364 -0.334 1
1 660 . 16 1 1 A 58 58 ASP HA H 58 4.650 4.297 0.353 1
1 663 . 16 1 1 A 58 58 ASP CA C 58 51.400 53.251 -1.851 1
1 664 . 16 1 1 A 58 58 ASP CB C 58 37.200 41.688 -4.488 1
1 665 . 16 1 1 A 58 58 ASP N N 58 115.600 119.482 -3.882 1
1 666 . 16 1 1 A 59 59 ILE H H 59 8.630 8.381 0.249 1
1 667 . 16 1 1 A 59 59 ILE HA H 59 3.260 3.807 -0.547 1
1 677 . 16 1 1 A 59 59 ILE CA C 59 62.900 64.126 -1.226 1
1 678 . 16 1 1 A 59 59 ILE CB C 59 36.600 37.941 -1.341 1
1 682 . 16 1 1 A 59 59 ILE N N 59 128.500 126.198 2.302 1
1 683 . 16 1 1 A 60 60 ASP H H 60 7.960 7.731 0.229 1
1 684 . 16 1 1 A 60 60 ASP HA H 60 4.480 4.765 -0.285 1
1 687 . 16 1 1 A 60 60 ASP CA C 60 52.300 53.622 -1.322 1
1 688 . 16 1 1 A 60 60 ASP CB C 60 39.100 41.724 -2.624 1
1 689 . 16 1 1 A 60 60 ASP N N 60 113.200 118.731 -5.531 1
1 690 . 16 1 1 A 61 61 GLN H H 61 7.550 8.182 -0.632 1
1 691 . 16 1 1 A 61 61 GLN HA H 61 3.800 3.983 -0.183 1
1 698 . 16 1 1 A 61 61 GLN CA C 61 57.100 56.819 0.281 1
1 699 . 16 1 1 A 61 61 GLN CB C 61 26.400 25.997 0.403 1
1 701 . 16 1 1 A 61 61 GLN N N 61 113.800 116.769 -2.969 1
1 703 . 16 1 1 A 62 62 ASP H H 62 8.390 8.039 0.351 1
1 704 . 16 1 1 A 62 62 ASP HA H 62 4.720 4.758 -0.038 1
1 707 . 16 1 1 A 62 62 ASP CA C 62 52.800 54.262 -1.462 1
1 708 . 16 1 1 A 62 62 ASP CB C 62 41.000 41.472 -0.472 1
1 709 . 16 1 1 A 62 62 ASP N N 62 117.700 118.856 -1.156 1
1 710 . 16 1 1 A 63 63 GLY H H 63 10.840 8.384 2.456 1
1 711 . 16 1 1 A 63 63 GLY HA2 H 63 4.310 4.088 0.222 1
1 712 . 16 1 1 A 63 63 GLY HA3 H 63 3.880 4.267 -0.387 1
1 713 . 16 1 1 A 63 63 GLY CA C 63 46.200 45.430 0.770 1
1 714 . 16 1 1 A 63 63 GLY N N 63 114.200 107.774 6.426 1
1 715 . 16 1 1 A 64 64 LYS H H 64 8.070 7.911 0.159 1
1 716 . 16 1 1 A 64 64 LYS HA H 64 5.030 4.912 0.118 1
1 725 . 16 1 1 A 64 64 LYS CA C 64 54.200 54.587 -0.387 1
1 726 . 16 1 1 A 64 64 LYS CB C 64 36.100 35.075 1.025 1
1 730 . 16 1 1 A 64 64 LYS N N 64 117.400 120.490 -3.090 1
1 731 . 16 1 1 A 65 65 LEU H H 65 8.990 9.735 -0.745 1
1 732 . 16 1 1 A 65 65 LEU HA H 65 5.750 4.871 0.879 1
1 742 . 16 1 1 A 65 65 LEU CA C 65 52.900 53.811 -0.911 1
1 743 . 16 1 1 A 65 65 LEU CB C 65 43.600 43.238 0.362 1
1 747 . 16 1 1 A 65 65 LEU N N 65 120.700 124.613 -3.913 1
1 748 . 16 1 1 A 66 66 THR H H 66 10.210 8.983 1.227 1
1 749 . 16 1 1 A 66 66 THR HA H 66 4.910 4.864 0.046 1
1 754 . 16 1 1 A 66 66 THR CA C 66 60.900 60.676 0.224 1
1 755 . 16 1 1 A 66 66 THR CB C 66 71.200 70.703 0.497 1
1 757 . 16 1 1 A 66 66 THR N N 66 116.300 118.063 -1.763 1
1 758 . 16 1 1 A 67 67 ALA H H 67 8.350 8.548 -0.198 1
1 759 . 16 1 1 A 67 67 ALA HA H 67 2.620 3.293 -0.673 1
1 763 . 16 1 1 A 67 67 ALA CA C 67 56.200 55.067 1.133 1
1 764 . 16 1 1 A 67 67 ALA CB C 67 18.000 17.711 0.289 1
1 765 . 16 1 1 A 67 67 ALA N N 67 122.000 123.108 -1.108 1
1 766 . 16 1 1 A 68 68 GLU H H 68 8.160 7.982 0.178 1
1 767 . 16 1 1 A 68 68 GLU HA H 68 4.180 4.031 0.149 1
1 772 . 16 1 1 A 68 68 GLU CA C 68 60.500 59.404 1.096 1
1 773 . 16 1 1 A 68 68 GLU CB C 68 30.500 29.081 1.419 1
1 775 . 16 1 1 A 68 68 GLU N N 68 112.200 117.803 -5.603 1
1 776 . 16 1 1 A 69 69 GLU H H 69 7.280 7.729 -0.449 1
1 777 . 16 1 1 A 69 69 GLU HA H 69 4.030 3.748 0.282 1
1 782 . 16 1 1 A 69 69 GLU CA C 69 60.100 58.704 1.396 1
1 783 . 16 1 1 A 69 69 GLU CB C 69 31.800 29.253 2.547 1
1 785 . 16 1 1 A 69 69 GLU N N 69 117.400 120.089 -2.689 1
1 786 . 16 1 1 A 70 70 PHE H H 70 8.940 8.369 0.571 1
1 787 . 16 1 1 A 70 70 PHE HA H 70 4.130 4.115 0.015 1
1 795 . 16 1 1 A 70 70 PHE CA C 70 61.900 61.221 0.679 1
1 796 . 16 1 1 A 70 70 PHE CB C 70 39.900 39.474 0.426 1
1 800 . 16 1 1 A 70 70 PHE N N 70 119.000 121.598 -2.598 1
1 801 . 16 1 1 A 71 71 ILE H H 71 8.890 8.521 0.369 1
1 802 . 16 1 1 A 71 71 ILE HA H 71 3.380 3.813 -0.433 1
1 812 . 16 1 1 A 71 71 ILE CA C 71 65.800 65.570 0.230 1
1 813 . 16 1 1 A 71 71 ILE CB C 71 39.100 37.775 1.325 1
1 817 . 16 1 1 A 71 71 ILE N N 71 119.800 120.670 -0.870 1
1 818 . 16 1 1 A 72 72 LEU H H 72 7.810 8.132 -0.322 1
1 819 . 16 1 1 A 72 72 LEU HA H 72 4.040 4.296 -0.256 1
1 829 . 16 1 1 A 72 72 LEU CA C 72 58.300 58.181 0.119 1
1 830 . 16 1 1 A 72 72 LEU CB C 72 42.600 41.819 0.781 1
1 834 . 16 1 1 A 72 72 LEU N N 72 118.100 121.876 -3.776 1
1 835 . 16 1 1 A 73 73 ALA H H 73 8.340 8.004 0.336 1
1 836 . 16 1 1 A 73 73 ALA HA H 73 3.820 3.972 -0.152 1
1 840 . 16 1 1 A 73 73 ALA CA C 73 55.600 55.307 0.293 1
1 841 . 16 1 1 A 73 73 ALA CB C 73 17.600 18.209 -0.609 1
1 842 . 16 1 1 A 73 73 ALA N N 73 122.000 120.927 1.073 1
1 843 . 16 1 1 A 74 74 MET H H 74 7.840 8.027 -0.187 1
1 844 . 16 1 1 A 74 74 MET HA H 74 3.830 3.792 0.038 1
1 852 . 16 1 1 A 74 74 MET CA C 74 55.400 58.920 -3.520 1
1 853 . 16 1 1 A 74 74 MET CB C 74 27.800 32.255 -4.455 1
1 856 . 16 1 1 A 74 74 MET N N 74 113.400 116.357 -2.957 1
1 857 . 16 1 1 A 75 75 HIS H H 75 8.340 7.719 0.621 1
1 858 . 16 1 1 A 75 75 HIS HA H 75 4.510 4.014 0.496 1
1 863 . 16 1 1 A 75 75 HIS CA C 75 60.000 59.080 0.920 1
1 864 . 16 1 1 A 75 75 HIS CB C 75 31.400 29.640 1.760 1
1 867 . 16 1 1 A 75 75 HIS N N 75 120.200 119.849 0.351 1
1 868 . 16 1 1 A 76 76 LEU H H 76 8.750 8.236 0.514 1
1 869 . 16 1 1 A 76 76 LEU HA H 76 3.670 3.717 -0.047 1
1 879 . 16 1 1 A 76 76 LEU CA C 76 57.700 57.745 -0.045 1
1 880 . 16 1 1 A 76 76 LEU CB C 76 41.400 41.297 0.103 1
1 884 . 16 1 1 A 76 76 LEU N N 76 118.600 119.262 -0.662 1
1 885 . 16 1 1 A 77 77 ILE H H 77 7.980 8.285 -0.305 1
1 886 . 16 1 1 A 77 77 ILE HA H 77 3.470 3.398 0.072 1
1 896 . 16 1 1 A 77 77 ILE CA C 77 66.000 65.046 0.954 1
1 897 . 16 1 1 A 77 77 ILE CB C 77 36.500 37.554 -1.054 1
1 901 . 16 1 1 A 77 77 ILE N N 77 120.900 119.862 1.038 1
1 902 . 16 1 1 A 78 78 ASP H H 78 7.490 8.242 -0.752 1
1 903 . 16 1 1 A 78 78 ASP HA H 78 4.300 4.227 0.073 1
1 906 . 16 1 1 A 78 78 ASP CA C 78 57.900 57.569 0.331 1
1 907 . 16 1 1 A 78 78 ASP CB C 78 39.000 41.894 -2.894 1
1 908 . 16 1 1 A 78 78 ASP N N 78 121.500 120.397 1.103 1
1 909 . 16 1 1 A 79 79 VAL H H 79 8.380 7.551 0.829 1
1 910 . 16 1 1 A 79 79 VAL HA H 79 3.390 3.512 -0.122 1
1 918 . 16 1 1 A 79 79 VAL CA C 79 66.400 66.262 0.138 1
1 919 . 16 1 1 A 79 79 VAL CB C 79 31.700 31.288 0.412 1
1 922 . 16 1 1 A 79 79 VAL N N 79 122.400 119.021 3.379 1
1 923 . 16 1 1 A 80 80 ALA H H 80 8.730 8.590 0.140 1
1 924 . 16 1 1 A 80 80 ALA HA H 80 4.360 3.994 0.366 1
1 928 . 16 1 1 A 80 80 ALA CA C 80 54.800 55.240 -0.440 1
1 929 . 16 1 1 A 80 80 ALA CB C 80 18.100 17.874 0.226 1
1 930 . 16 1 1 A 80 80 ALA N N 80 125.200 122.282 2.918 1
1 931 . 16 1 1 A 81 81 MET H H 81 9.360 8.454 0.906 1
1 932 . 16 1 1 A 81 81 MET HA H 81 4.210 4.100 0.110 1
1 940 . 16 1 1 A 81 81 MET CA C 81 57.800 58.227 -0.427 1
1 941 . 16 1 1 A 81 81 MET CB C 81 31.800 32.218 -0.418 1
1 944 . 16 1 1 A 81 81 MET N N 81 119.600 118.858 0.742 1
1 945 . 16 1 1 A 82 82 SER H H 82 7.780 7.410 0.370 1
1 946 . 16 1 1 A 82 82 SER HA H 82 4.510 4.479 0.031 1
1 949 . 16 1 1 A 82 82 SER CA C 82 59.500 58.320 1.180 1
1 950 . 16 1 1 A 82 82 SER CB C 82 64.000 63.558 0.442 1
1 951 . 16 1 1 A 82 82 SER N N 82 114.000 112.535 1.465 1
1 952 . 16 1 1 A 83 83 GLY H H 83 7.910 8.306 -0.396 1
1 953 . 16 1 1 A 83 83 GLY HA2 H 83 3.700 3.903 -0.203 1
1 954 . 16 1 1 A 83 83 GLY HA3 H 83 4.350 3.906 0.444 1
1 955 . 16 1 1 A 83 83 GLY CA C 83 44.900 45.709 -0.809 1
1 956 . 16 1 1 A 83 83 GLY N N 83 109.400 109.468 -0.068 1
1 957 . 16 1 1 A 84 84 GLN H H 84 7.100 7.895 -0.795 1
1 958 . 16 1 1 A 84 84 GLN HA H 84 4.530 4.641 -0.111 1
1 965 . 16 1 1 A 84 84 GLN CA C 84 53.100 52.759 0.341 1
1 966 . 16 1 1 A 84 84 GLN CB C 84 29.000 29.231 -0.231 1
1 968 . 16 1 1 A 84 84 GLN N N 84 120.700 120.201 0.499 1
1 970 . 16 1 1 A 85 85 PRO HA H 85 4.360 4.556 -0.196 1
1 977 . 16 1 1 A 85 85 PRO CA C 85 61.800 62.591 -0.791 1
1 978 . 16 1 1 A 85 85 PRO CB C 85 31.800 32.052 -0.252 1
1 981 . 16 1 1 A 86 86 LEU H H 86 8.360 8.429 -0.069 1
1 982 . 16 1 1 A 86 86 LEU HA H 86 4.380 4.682 -0.302 1
1 992 . 16 1 1 A 86 86 LEU CA C 86 51.600 52.686 -1.086 1
1 993 . 16 1 1 A 86 86 LEU CB C 86 41.000 41.242 -0.242 1
1 997 . 16 1 1 A 86 86 LEU N N 86 121.700 123.045 -1.345 1
1 998 . 16 1 1 A 87 87 PRO HA H 87 4.740 4.638 0.102 1
1 1005 . 16 1 1 A 87 87 PRO CA C 87 60.800 61.681 -0.881 1
1 1006 . 16 1 1 A 87 87 PRO CB C 87 30.900 32.218 -1.318 1
1 1009 . 16 1 1 A 88 88 PRO HA H 88 4.330 4.364 -0.034 1
1 1016 . 16 1 1 A 88 88 PRO CA C 88 63.900 64.975 -1.075 1
1 1017 . 16 1 1 A 88 88 PRO CB C 88 31.700 32.205 -0.505 1
1 1020 . 16 1 1 A 89 89 VAL H H 89 6.840 7.118 -0.278 1
1 1021 . 16 1 1 A 89 89 VAL HA H 89 4.030 4.650 -0.620 1
1 1029 . 16 1 1 A 89 89 VAL CA C 89 59.300 59.055 0.245 1
1 1030 . 16 1 1 A 89 89 VAL CB C 89 35.500 35.808 -0.308 1
1 1033 . 16 1 1 A 89 89 VAL N N 89 112.700 109.861 2.839 1
1 1034 . 16 1 1 A 90 90 LEU H H 90 8.990 8.391 0.599 1
1 1035 . 16 1 1 A 90 90 LEU HA H 90 4.150 4.685 -0.535 1
1 1045 . 16 1 1 A 90 90 LEU CA C 90 53.500 52.574 0.926 1
1 1046 . 16 1 1 A 90 90 LEU CB C 90 42.200 43.337 -1.137 1
1 1050 . 16 1 1 A 90 90 LEU N N 90 127.800 126.103 1.697 1
1 1051 . 16 1 1 A 91 91 PRO HA H 91 4.830 4.757 0.073 1
1 1058 . 16 1 1 A 91 91 PRO CA C 91 61.100 61.694 -0.594 1
1 1059 . 16 1 1 A 91 91 PRO CB C 91 31.300 32.309 -1.009 1
1 1062 . 16 1 1 A 92 92 PRO HA H 92 4.230 4.206 0.024 1
1 1069 . 16 1 1 A 92 92 PRO CA C 92 65.100 65.325 -0.225 1
1 1070 . 16 1 1 A 92 92 PRO CB C 92 31.800 32.131 -0.331 1
1 1073 . 16 1 1 A 93 93 GLU H H 93 10.180 8.771 1.409 1
1 1074 . 16 1 1 A 93 93 GLU HA H 93 4.300 4.046 0.254 1
1 1079 . 16 1 1 A 93 93 GLU CA C 93 58.700 59.484 -0.784 1
1 1080 . 16 1 1 A 93 93 GLU CB C 93 27.500 29.013 -1.513 1
1 1082 . 16 1 1 A 93 93 GLU N N 93 116.400 117.492 -1.092 1
1 1083 . 16 1 1 A 94 94 TYR H H 94 8.510 8.015 0.495 1
1 1084 . 16 1 1 A 94 94 TYR HA H 94 4.510 4.932 -0.422 1
1 1091 . 16 1 1 A 94 94 TYR CA C 94 60.100 58.041 2.059 1
1 1092 . 16 1 1 A 94 94 TYR CB C 94 39.600 38.322 1.278 1
1 1095 . 16 1 1 A 94 94 TYR N N 94 119.400 115.366 4.034 1
1 1096 . 16 1 1 A 95 95 ILE H H 95 7.800 7.368 0.432 1
1 1097 . 16 1 1 A 95 95 ILE HA H 95 3.940 4.208 -0.268 1
1 1107 . 16 1 1 A 95 95 ILE CA C 95 60.200 58.420 1.780 1
1 1108 . 16 1 1 A 95 95 ILE CB C 95 37.800 38.075 -0.275 1
1 1112 . 16 1 1 A 95 95 ILE N N 95 124.500 122.485 2.015 1
1 1113 . 16 1 1 A 96 96 PRO HA H 96 2.770 3.978 -1.208 1
1 1120 . 16 1 1 A 96 96 PRO CA C 96 60.700 60.500 0.200 1
1 1121 . 16 1 1 A 96 96 PRO CB C 96 31.400 30.867 0.533 1
1 1124 . 16 1 1 A 97 97 PRO HA H 97 3.680 4.148 -0.468 1
1 1131 . 16 1 1 A 97 97 PRO CA C 97 65.900 63.508 2.392 1
1 1132 . 16 1 1 A 97 97 PRO CB C 97 32.100 32.187 -0.087 1
1 1135 . 16 1 1 A 98 98 SER H H 98 9.160 8.549 0.611 1
1 1136 . 16 1 1 A 98 98 SER HA H 98 3.980 3.937 0.043 1
1 1139 . 16 1 1 A 98 98 SER CA C 98 60.900 60.501 0.399 1
1 1140 . 16 1 1 A 98 98 SER CB C 98 62.200 61.352 0.848 1
1 1141 . 16 1 1 A 98 98 SER N N 98 112.400 111.799 0.601 1
1 1142 . 16 1 1 A 99 99 PHE H H 99 7.950 7.596 0.354 1
1 1143 . 16 1 1 A 99 99 PHE HA H 99 4.470 4.788 -0.318 1
1 1151 . 16 1 1 A 99 99 PHE CA C 99 58.500 57.028 1.472 1
1 1152 . 16 1 1 A 99 99 PHE CB C 99 40.100 39.380 0.720 1
1 1156 . 16 1 1 A 99 99 PHE N N 99 118.800 119.688 -0.888 1
1 1157 . 16 1 1 A 100 100 ARG H H 100 7.350 7.592 -0.242 1
1 1158 . 16 1 1 A 100 100 ARG HA H 100 4.270 4.266 0.004 1
1 1165 . 16 1 1 A 100 100 ARG CA C 100 56.600 55.972 0.628 1
1 1166 . 16 1 1 A 100 100 ARG CB C 100 30.300 31.075 -0.775 1
1 1169 . 16 1 1 A 100 100 ARG N N 100 120.200 121.509 -1.309 1
1 1170 . 16 1 1 A 101 101 ARG H H 101 8.180 8.451 -0.271 1
1 1171 . 16 1 1 A 101 101 ARG HA H 101 4.270 4.365 -0.095 1
1 1177 . 16 1 1 A 101 101 ARG CA C 101 56.700 56.204 0.496 1
1 1178 . 16 1 1 A 101 101 ARG CB C 101 30.700 30.020 0.680 1
1 1181 . 16 1 1 A 101 101 ARG N N 101 121.100 124.569 -3.469 1
1 1182 . 16 1 1 A 102 102 VAL H H 102 8.160 8.843 -0.683 1
1 1183 . 16 1 1 A 102 102 VAL HA H 102 4.080 4.871 -0.791 1
1 1191 . 16 1 1 A 102 102 VAL CA C 102 62.500 60.826 1.674 1
1 1192 . 16 1 1 A 102 102 VAL CB C 102 32.700 33.104 -0.404 1
1 1195 . 16 1 1 A 102 102 VAL N N 102 121.500 121.684 -0.184 1
1 1196 . 16 1 1 A 103 103 ARG H H 103 7.920 8.385 -0.465 1
1 1197 . 16 1 1 A 103 103 ARG HA H 103 4.160 4.697 -0.537 1
1 1204 . 16 1 1 A 103 103 ARG CA C 103 57.300 55.574 1.726 1
1 1205 . 16 1 1 A 103 103 ARG CB C 103 31.600 31.011 0.589 1
1 1208 . 16 1 1 A 103 103 ARG N N 103 129.400 124.136 5.264 1
1 1209 . 16 1 1 A 104 104 LEU H H 104 8.190 7.826 0.364 1
1 1210 . 16 1 1 A 104 104 LEU N N 104 122.800 121.633 1.167 1
1 1211 . 16 1 1 A 105 105 GLU H H 105 8.220 8.010 0.210 1
1 8 . 17 1 1 A 2 2 PRO HA H 2 4.430 4.473 -0.043 1
1 15 . 17 1 1 A 2 2 PRO CA C 2 62.800 62.781 0.019 1
1 16 . 17 1 1 A 2 2 PRO CB C 2 31.900 32.041 -0.141 1
1 19 . 17 1 1 A 3 3 VAL H H 3 8.130 8.233 -0.103 1
1 20 . 17 1 1 A 3 3 VAL HA H 3 4.030 4.202 -0.172 1
1 28 . 17 1 1 A 3 3 VAL CA C 3 62.200 61.628 0.572 1
1 29 . 17 1 1 A 3 3 VAL CB C 3 32.700 32.855 -0.155 1
1 32 . 17 1 1 A 3 3 VAL N N 3 120.100 121.657 -1.557 1
1 33 . 17 1 1 A 4 4 ALA H H 4 8.330 8.541 -0.211 1
1 34 . 17 1 1 A 4 4 ALA HA H 4 4.310 4.362 -0.052 1
1 38 . 17 1 1 A 4 4 ALA CA C 4 52.100 51.747 0.353 1
1 39 . 17 1 1 A 4 4 ALA CB C 4 19.400 20.242 -0.842 1
1 40 . 17 1 1 A 4 4 ALA N N 4 127.300 128.820 -1.520 1
1 41 . 17 1 1 A 5 5 GLU H H 5 8.290 9.365 -1.075 1
1 42 . 17 1 1 A 5 5 GLU HA H 5 4.290 4.067 0.223 1
1 47 . 17 1 1 A 5 5 GLU CA C 5 56.100 58.091 -1.991 1
1 48 . 17 1 1 A 5 5 GLU CB C 5 30.500 28.130 2.370 1
1 50 . 17 1 1 A 5 5 GLU N N 5 121.000 115.099 5.901 1
1 51 . 17 1 1 A 6 6 TRP H H 6 8.670 8.474 0.196 1
1 52 . 17 1 1 A 6 6 TRP HA H 6 5.020 4.973 0.047 1
1 61 . 17 1 1 A 6 6 TRP CA C 6 54.500 57.981 -3.481 1
1 62 . 17 1 1 A 6 6 TRP CB C 6 30.100 27.913 2.187 1
1 68 . 17 1 1 A 6 6 TRP N N 6 124.900 117.162 7.738 1
1 70 . 17 1 1 A 7 7 ALA H H 7 7.850 8.760 -0.910 1
1 71 . 17 1 1 A 7 7 ALA HA H 7 3.790 4.421 -0.631 1
1 75 . 17 1 1 A 7 7 ALA CA C 7 53.200 51.421 1.779 1
1 76 . 17 1 1 A 7 7 ALA CB C 7 18.000 16.855 1.145 1
1 77 . 17 1 1 A 7 7 ALA N N 7 128.000 129.065 -1.065 1
1 78 . 17 1 1 A 8 8 VAL H H 8 5.280 7.682 -2.402 1
1 79 . 17 1 1 A 8 8 VAL HA H 8 2.850 4.094 -1.244 1
1 87 . 17 1 1 A 8 8 VAL CA C 8 59.700 57.451 2.249 1
1 88 . 17 1 1 A 8 8 VAL CB C 8 31.600 34.307 -2.707 1
1 91 . 17 1 1 A 8 8 VAL N N 8 117.000 120.030 -3.030 1
1 92 . 17 1 1 A 9 9 PRO HA H 9 4.340 4.416 -0.076 1
1 99 . 17 1 1 A 9 9 PRO CA C 9 62.800 63.165 -0.365 1
1 100 . 17 1 1 A 9 9 PRO CB C 9 32.400 32.575 -0.175 1
1 103 . 17 1 1 A 10 10 GLN HA H 10 3.710 3.963 -0.253 1
1 110 . 17 1 1 A 10 10 GLN CA C 10 60.100 58.984 1.116 1
1 111 . 17 1 1 A 10 10 GLN CB C 10 28.000 28.101 -0.101 1
1 114 . 17 1 1 A 11 11 SER HA H 11 4.070 4.190 -0.120 1
1 117 . 17 1 1 A 11 11 SER CA C 11 61.400 61.633 -0.233 1
1 118 . 17 1 1 A 11 11 SER CB C 11 61.400 62.202 -0.802 1
1 119 . 17 1 1 A 12 12 SER H H 12 7.070 8.091 -1.021 1
1 120 . 17 1 1 A 12 12 SER HA H 12 3.990 4.100 -0.110 1
1 123 . 17 1 1 A 12 12 SER CA C 12 61.500 61.526 -0.026 1
1 124 . 17 1 1 A 12 12 SER CB C 12 61.500 62.877 -1.377 1
1 125 . 17 1 1 A 12 12 SER N N 12 119.300 116.697 2.603 1
1 126 . 17 1 1 A 13 13 ARG H H 13 8.000 8.079 -0.079 1
1 127 . 17 1 1 A 13 13 ARG HA H 13 3.930 4.125 -0.195 1
1 134 . 17 1 1 A 13 13 ARG CA C 13 59.800 59.156 0.644 1
1 135 . 17 1 1 A 13 13 ARG CB C 13 30.300 29.953 0.347 1
1 138 . 17 1 1 A 13 13 ARG N N 13 121.600 122.396 -0.796 1
1 139 . 17 1 1 A 14 14 LEU H H 14 7.710 8.528 -0.818 1
1 140 . 17 1 1 A 14 14 LEU HA H 14 4.120 3.971 0.149 1
1 150 . 17 1 1 A 14 14 LEU CA C 14 57.900 57.848 0.052 1
1 151 . 17 1 1 A 14 14 LEU CB C 14 41.900 41.554 0.346 1
1 155 . 17 1 1 A 14 14 LEU N N 14 117.100 120.183 -3.083 1
1 156 . 17 1 1 A 15 15 LYS H H 15 7.450 7.824 -0.374 1
1 157 . 17 1 1 A 15 15 LYS HA H 15 4.050 3.949 0.101 1
1 166 . 17 1 1 A 15 15 LYS CA C 15 59.100 58.943 0.157 1
1 167 . 17 1 1 A 15 15 LYS CB C 15 33.000 32.124 0.876 1
1 171 . 17 1 1 A 15 15 LYS N N 15 118.800 120.083 -1.283 1
1 172 . 17 1 1 A 16 16 TYR H H 16 8.640 7.991 0.649 1
1 173 . 17 1 1 A 16 16 TYR HA H 16 5.130 4.683 0.447 1
1 180 . 17 1 1 A 16 16 TYR CA C 16 58.900 61.160 -2.260 1
1 181 . 17 1 1 A 16 16 TYR CB C 16 37.100 37.931 -0.831 1
1 184 . 17 1 1 A 16 16 TYR N N 16 117.800 117.901 -0.101 1
1 185 . 17 1 1 A 17 17 ARG H H 17 8.470 8.481 -0.011 1
1 186 . 17 1 1 A 17 17 ARG HA H 17 4.230 4.095 0.135 1
1 193 . 17 1 1 A 17 17 ARG CA C 17 59.700 59.529 0.171 1
1 194 . 17 1 1 A 17 17 ARG CB C 17 29.800 29.840 -0.040 1
1 197 . 17 1 1 A 17 17 ARG N N 17 124.000 122.738 1.262 1
1 198 . 17 1 1 A 18 18 GLN H H 18 7.740 7.512 0.228 1
1 199 . 17 1 1 A 18 18 GLN HA H 18 4.190 4.227 -0.037 1
1 206 . 17 1 1 A 18 18 GLN CA C 18 59.300 57.847 1.453 1
1 207 . 17 1 1 A 18 18 GLN CB C 18 27.900 28.968 -1.068 1
1 209 . 17 1 1 A 18 18 GLN N N 18 118.000 118.617 -0.617 1
1 211 . 17 1 1 A 19 19 LEU H H 19 7.770 7.865 -0.095 1
1 212 . 17 1 1 A 19 19 LEU HA H 19 4.400 4.712 -0.312 1
1 222 . 17 1 1 A 19 19 LEU CA C 19 58.000 53.954 4.046 1
1 223 . 17 1 1 A 19 19 LEU CB C 19 42.800 42.984 -0.184 1
1 227 . 17 1 1 A 19 19 LEU N N 19 120.500 120.735 -0.235 1
1 228 . 17 1 1 A 20 20 PHE H H 20 8.710 7.924 0.786 1
1 229 . 17 1 1 A 20 20 PHE HA H 20 3.330 3.305 0.025 1
1 237 . 17 1 1 A 20 20 PHE CA C 20 62.400 61.886 0.514 1
1 238 . 17 1 1 A 20 20 PHE CB C 20 38.500 38.908 -0.408 1
1 242 . 17 1 1 A 20 20 PHE N N 20 121.900 122.108 -0.208 1
1 243 . 17 1 1 A 21 21 ASN H H 21 8.770 9.056 -0.286 1
1 244 . 17 1 1 A 21 21 ASN HA H 21 4.380 4.788 -0.408 1
1 249 . 17 1 1 A 21 21 ASN CA C 21 55.400 56.694 -1.294 1
1 250 . 17 1 1 A 21 21 ASN CB C 21 37.600 39.920 -2.320 1
1 251 . 17 1 1 A 21 21 ASN N N 21 117.300 117.736 -0.436 1
1 253 . 17 1 1 A 22 22 SER H H 22 7.900 8.931 -1.031 1
1 254 . 17 1 1 A 22 22 SER HA H 22 4.180 4.242 -0.062 1
1 257 . 17 1 1 A 22 22 SER CA C 22 60.700 60.521 0.179 1
1 258 . 17 1 1 A 22 22 SER CB C 22 62.900 63.164 -0.264 1
1 259 . 17 1 1 A 22 22 SER N N 22 114.800 114.037 0.763 1
1 260 . 17 1 1 A 23 23 HIS H H 23 7.310 8.272 -0.962 1
1 261 . 17 1 1 A 23 23 HIS HA H 23 4.480 4.376 0.104 1
1 266 . 17 1 1 A 23 23 HIS CA C 23 58.000 58.011 -0.011 1
1 267 . 17 1 1 A 23 23 HIS CB C 23 32.400 29.870 2.530 1
1 270 . 17 1 1 A 23 23 HIS N N 23 118.900 117.226 1.674 1
1 271 . 17 1 1 A 24 24 ASP H H 24 7.870 8.023 -0.153 1
1 272 . 17 1 1 A 24 24 ASP HA H 24 4.850 4.854 -0.004 1
1 275 . 17 1 1 A 24 24 ASP CA C 24 52.100 52.833 -0.733 1
1 276 . 17 1 1 A 24 24 ASP CB C 24 38.500 44.504 -6.004 1
1 277 . 17 1 1 A 24 24 ASP N N 24 122.400 118.800 3.600 1
1 278 . 17 1 1 A 25 25 LYS H H 25 7.900 8.488 -0.588 1
1 279 . 17 1 1 A 25 25 LYS HA H 25 4.070 4.711 -0.641 1
1 288 . 17 1 1 A 25 25 LYS CA C 25 58.600 56.218 2.382 1
1 289 . 17 1 1 A 25 25 LYS CB C 25 32.600 34.204 -1.604 1
1 293 . 17 1 1 A 25 25 LYS N N 25 122.400 120.581 1.819 1
1 294 . 17 1 1 A 26 26 THR H H 26 8.120 8.186 -0.066 1
1 295 . 17 1 1 A 26 26 THR HA H 26 4.340 4.492 -0.152 1
1 300 . 17 1 1 A 26 26 THR CA C 26 61.000 61.010 -0.010 1
1 301 . 17 1 1 A 26 26 THR CB C 26 69.100 67.376 1.724 1
1 303 . 17 1 1 A 26 26 THR N N 26 106.400 114.849 -8.449 1
1 304 . 17 1 1 A 27 27 MET H H 27 8.030 8.568 -0.538 1
1 305 . 17 1 1 A 27 27 MET HA H 27 3.980 4.180 -0.200 1
1 310 . 17 1 1 A 27 27 MET CA C 27 56.600 57.672 -1.072 1
1 311 . 17 1 1 A 27 27 MET CB C 27 29.100 31.271 -2.171 1
1 313 . 17 1 1 A 27 27 MET N N 27 119.600 123.473 -3.873 1
1 314 . 17 1 1 A 28 28 SER H H 28 9.520 8.800 0.720 1
1 315 . 17 1 1 A 28 28 SER HA H 28 4.250 4.183 0.067 1
1 318 . 17 1 1 A 28 28 SER CA C 28 60.500 61.954 -1.454 1
1 319 . 17 1 1 A 28 28 SER CB C 28 64.400 62.973 1.427 1
1 320 . 17 1 1 A 28 28 SER N N 28 118.600 119.021 -0.421 1
1 321 . 17 1 1 A 29 29 GLY H H 29 10.710 7.947 2.763 1
1 322 . 17 1 1 A 29 29 GLY HA2 H 29 4.380 3.878 0.502 1
1 323 . 17 1 1 A 29 29 GLY HA3 H 29 3.690 3.938 -0.248 1
1 324 . 17 1 1 A 29 29 GLY CA C 29 45.200 45.855 -0.655 1
1 325 . 17 1 1 A 29 29 GLY N N 29 113.800 108.925 4.875 1
1 326 . 17 1 1 A 30 30 HIS H H 30 7.870 8.562 -0.692 1
1 327 . 17 1 1 A 30 30 HIS HA H 30 5.520 4.744 0.776 1
1 332 . 17 1 1 A 30 30 HIS CA C 30 55.800 56.471 -0.671 1
1 333 . 17 1 1 A 30 30 HIS CB C 30 32.800 29.570 3.230 1
1 336 . 17 1 1 A 30 30 HIS N N 30 115.700 118.194 -2.494 1
1 337 . 17 1 1 A 31 31 LEU H H 31 9.140 9.844 -0.704 1
1 338 . 17 1 1 A 31 31 LEU HA H 31 4.840 5.117 -0.277 1
1 348 . 17 1 1 A 31 31 LEU CA C 31 52.900 53.562 -0.662 1
1 349 . 17 1 1 A 31 31 LEU CB C 31 44.200 44.775 -0.575 1
1 353 . 17 1 1 A 31 31 LEU N N 31 117.200 120.701 -3.501 1
1 354 . 17 1 1 A 32 32 THR H H 32 8.680 8.410 0.270 1
1 355 . 17 1 1 A 32 32 THR HA H 32 4.340 4.804 -0.464 1
1 360 . 17 1 1 A 32 32 THR CA C 32 61.500 60.637 0.863 1
1 361 . 17 1 1 A 32 32 THR CB C 32 70.200 71.552 -1.352 1
1 363 . 17 1 1 A 32 32 THR N N 32 113.400 113.963 -0.563 1
1 364 . 17 1 1 A 33 33 GLY H H 33 9.090 8.941 0.149 1
1 365 . 17 1 1 A 33 33 GLY HA2 H 33 3.970 3.870 0.100 1
1 366 . 17 1 1 A 33 33 GLY HA3 H 33 4.070 4.124 -0.054 1
1 367 . 17 1 1 A 33 33 GLY CA C 33 49.300 48.315 0.985 1
1 368 . 17 1 1 A 33 33 GLY N N 33 108.000 109.500 -1.500 1
1 369 . 17 1 1 A 34 34 PRO HA H 34 4.110 4.167 -0.057 1
1 376 . 17 1 1 A 34 34 PRO CA C 34 65.400 65.620 -0.220 1
1 377 . 17 1 1 A 34 34 PRO CB C 34 32.200 30.806 1.394 1
1 380 . 17 1 1 A 35 35 GLN H H 35 7.240 8.210 -0.970 1
1 381 . 17 1 1 A 35 35 GLN HA H 35 4.040 4.055 -0.015 1
1 388 . 17 1 1 A 35 35 GLN CA C 35 58.200 59.318 -1.118 1
1 389 . 17 1 1 A 35 35 GLN CB C 35 29.800 28.489 1.311 1
1 391 . 17 1 1 A 35 35 GLN N N 35 116.700 117.410 -0.710 1
1 393 . 17 1 1 A 36 36 ALA H H 36 9.180 8.658 0.522 1
1 394 . 17 1 1 A 36 36 ALA HA H 36 4.080 4.254 -0.174 1
1 398 . 17 1 1 A 36 36 ALA CA C 36 54.900 55.384 -0.484 1
1 399 . 17 1 1 A 36 36 ALA CB C 36 18.900 18.397 0.503 1
1 400 . 17 1 1 A 36 36 ALA N N 36 120.000 122.287 -2.287 1
1 401 . 17 1 1 A 37 37 ARG H H 37 9.060 8.424 0.636 1
1 402 . 17 1 1 A 37 37 ARG HA H 37 3.860 3.990 -0.130 1
1 409 . 17 1 1 A 37 37 ARG CA C 37 61.000 59.166 1.834 1
1 410 . 17 1 1 A 37 37 ARG CB C 37 29.900 29.653 0.247 1
1 413 . 17 1 1 A 37 37 ARG N N 37 117.200 117.317 -0.117 1
1 414 . 17 1 1 A 38 38 THR H H 38 7.620 8.154 -0.534 1
1 415 . 17 1 1 A 38 38 THR HA H 38 3.920 3.985 -0.065 1
1 420 . 17 1 1 A 38 38 THR CA C 38 66.900 67.058 -0.158 1
1 421 . 17 1 1 A 38 38 THR CB C 38 68.800 68.081 0.719 1
1 423 . 17 1 1 A 38 38 THR N N 38 114.600 117.537 -2.937 1
1 424 . 17 1 1 A 39 39 ILE H H 39 7.180 7.695 -0.515 1
1 425 . 17 1 1 A 39 39 ILE HA H 39 3.730 3.683 0.047 1
1 435 . 17 1 1 A 39 39 ILE CA C 39 64.900 64.411 0.489 1
1 436 . 17 1 1 A 39 39 ILE CB C 39 39.000 37.502 1.498 1
1 440 . 17 1 1 A 39 39 ILE N N 39 121.500 121.359 0.141 1
1 441 . 17 1 1 A 40 40 LEU H H 40 8.480 8.266 0.214 1
1 442 . 17 1 1 A 40 40 LEU HA H 40 3.870 3.882 -0.012 1
1 452 . 17 1 1 A 40 40 LEU CA C 40 58.500 57.887 0.613 1
1 453 . 17 1 1 A 40 40 LEU CB C 40 40.800 41.435 -0.635 1
1 457 . 17 1 1 A 40 40 LEU N N 40 119.900 119.934 -0.034 1
1 458 . 17 1 1 A 41 41 MET H H 41 8.160 8.493 -0.333 1
1 459 . 17 1 1 A 41 41 MET HA H 41 4.200 4.234 -0.034 1
1 464 . 17 1 1 A 41 41 MET CA C 41 57.700 57.869 -0.169 1
1 465 . 17 1 1 A 41 41 MET CB C 41 32.500 32.151 0.349 1
1 467 . 17 1 1 A 41 41 MET N N 41 115.300 118.533 -3.233 1
1 468 . 17 1 1 A 42 42 GLN H H 42 7.600 7.475 0.125 1
1 469 . 17 1 1 A 42 42 GLN HA H 42 4.230 4.179 0.051 1
1 476 . 17 1 1 A 42 42 GLN CA C 42 57.200 58.075 -0.875 1
1 477 . 17 1 1 A 42 42 GLN CB C 42 27.900 28.489 -0.589 1
1 479 . 17 1 1 A 42 42 GLN N N 42 118.900 118.849 0.051 1
1 481 . 17 1 1 A 43 43 SER H H 43 7.670 7.519 0.151 1
1 482 . 17 1 1 A 43 43 SER HA H 43 4.300 4.484 -0.184 1
1 485 . 17 1 1 A 43 43 SER CA C 43 59.800 58.623 1.177 1
1 486 . 17 1 1 A 43 43 SER CB C 43 65.200 63.718 1.482 1
1 487 . 17 1 1 A 43 43 SER N N 43 113.900 113.473 0.427 1
1 488 . 17 1 1 A 44 44 SER H H 44 8.040 8.100 -0.060 1
1 489 . 17 1 1 A 44 44 SER HA H 44 4.300 4.146 0.154 1
1 492 . 17 1 1 A 44 44 SER CA C 44 59.400 59.222 0.178 1
1 493 . 17 1 1 A 44 44 SER CB C 44 62.500 61.113 1.387 1
1 494 . 17 1 1 A 44 44 SER N N 44 113.500 114.524 -1.024 1
1 495 . 17 1 1 A 45 45 LEU H H 45 7.430 7.873 -0.443 1
1 496 . 17 1 1 A 45 45 LEU HA H 45 4.470 4.367 0.103 1
1 506 . 17 1 1 A 45 45 LEU CA C 45 53.300 53.289 0.011 1
1 507 . 17 1 1 A 45 45 LEU CB C 45 41.700 41.291 0.409 1
1 511 . 17 1 1 A 45 45 LEU N N 45 121.900 121.686 0.214 1
1 512 . 17 1 1 A 46 46 PRO HA H 46 4.460 4.504 -0.044 1
1 519 . 17 1 1 A 46 46 PRO CA C 46 62.500 63.158 -0.658 1
1 520 . 17 1 1 A 46 46 PRO CB C 46 32.500 32.707 -0.207 1
1 523 . 17 1 1 A 47 47 GLN H H 47 8.820 8.976 -0.156 1
1 524 . 17 1 1 A 47 47 GLN HA H 47 3.870 3.943 -0.073 1
1 531 . 17 1 1 A 47 47 GLN CA C 47 59.600 59.162 0.438 1
1 532 . 17 1 1 A 47 47 GLN CB C 47 28.100 28.283 -0.183 1
1 534 . 17 1 1 A 47 47 GLN N N 47 123.400 123.835 -0.435 1
1 536 . 17 1 1 A 48 48 ALA H H 48 9.000 8.336 0.664 1
1 537 . 17 1 1 A 48 48 ALA HA H 48 4.150 4.073 0.077 1
1 541 . 17 1 1 A 48 48 ALA CA C 48 55.200 55.103 0.097 1
1 542 . 17 1 1 A 48 48 ALA CB C 48 18.200 18.405 -0.205 1
1 543 . 17 1 1 A 48 48 ALA N N 48 119.800 121.719 -1.919 1
1 544 . 17 1 1 A 49 49 GLN H H 49 7.190 8.090 -0.900 1
1 545 . 17 1 1 A 49 49 GLN HA H 49 4.230 4.011 0.219 1
1 552 . 17 1 1 A 49 49 GLN CA C 49 58.600 58.806 -0.206 1
1 553 . 17 1 1 A 49 49 GLN CB C 49 29.400 28.375 1.025 1
1 555 . 17 1 1 A 49 49 GLN N N 49 115.800 117.762 -1.962 1
1 557 . 17 1 1 A 50 50 LEU H H 50 7.800 8.491 -0.691 1
1 558 . 17 1 1 A 50 50 LEU HA H 50 3.930 3.976 -0.046 1
1 568 . 17 1 1 A 50 50 LEU CA C 50 57.900 57.958 -0.058 1
1 569 . 17 1 1 A 50 50 LEU CB C 50 41.100 41.553 -0.453 1
1 573 . 17 1 1 A 50 50 LEU N N 50 119.800 120.195 -0.395 1
1 574 . 17 1 1 A 51 51 ALA H H 51 8.410 8.704 -0.294 1
1 575 . 17 1 1 A 51 51 ALA HA H 51 4.210 4.127 0.083 1
1 579 . 17 1 1 A 51 51 ALA CA C 51 55.100 55.289 -0.189 1
1 580 . 17 1 1 A 51 51 ALA CB C 51 17.500 17.971 -0.471 1
1 581 . 17 1 1 A 51 51 ALA N N 51 122.600 122.467 0.133 1
1 582 . 17 1 1 A 52 52 SER H H 52 7.530 7.656 -0.126 1
1 583 . 17 1 1 A 52 52 SER HA H 52 4.310 4.225 0.085 1
1 586 . 17 1 1 A 52 52 SER CA C 52 62.200 61.600 0.600 1
1 587 . 17 1 1 A 52 52 SER CB C 52 62.600 63.009 -0.409 1
1 588 . 17 1 1 A 52 52 SER N N 52 115.300 113.230 2.070 1
1 589 . 17 1 1 A 53 53 ILE H H 53 8.270 8.207 0.063 1
1 590 . 17 1 1 A 53 53 ILE HA H 53 3.430 3.658 -0.228 1
1 600 . 17 1 1 A 53 53 ILE CA C 53 66.300 64.971 1.329 1
1 601 . 17 1 1 A 53 53 ILE CB C 53 37.900 37.540 0.360 1
1 605 . 17 1 1 A 53 53 ILE N N 53 122.000 121.295 0.705 1
1 606 . 17 1 1 A 54 54 TRP H H 54 8.480 8.587 -0.107 1
1 607 . 17 1 1 A 54 54 TRP HA H 54 3.720 4.099 -0.379 1
1 616 . 17 1 1 A 54 54 TRP CA C 54 61.400 60.925 0.475 1
1 617 . 17 1 1 A 54 54 TRP CB C 54 28.100 29.542 -1.442 1
1 623 . 17 1 1 A 54 54 TRP N N 54 122.100 121.575 0.525 1
1 625 . 17 1 1 A 55 55 ASN H H 55 7.860 8.586 -0.726 1
1 626 . 17 1 1 A 55 55 ASN HA H 55 4.350 4.373 -0.023 1
1 631 . 17 1 1 A 55 55 ASN CA C 55 55.900 56.266 -0.366 1
1 632 . 17 1 1 A 55 55 ASN CB C 55 38.500 40.110 -1.610 1
1 633 . 17 1 1 A 55 55 ASN N N 55 113.900 117.949 -4.049 1
1 635 . 17 1 1 A 56 56 LEU H H 56 8.020 8.235 -0.215 1
1 636 . 17 1 1 A 56 56 LEU HA H 56 3.990 3.997 -0.007 1
1 646 . 17 1 1 A 56 56 LEU CA C 56 56.700 57.763 -1.063 1
1 647 . 17 1 1 A 56 56 LEU CB C 56 43.900 41.243 2.657 1
1 651 . 17 1 1 A 56 56 LEU N N 56 117.500 119.873 -2.373 1
1 652 . 17 1 1 A 57 57 SER H H 57 7.280 7.375 -0.095 1
1 653 . 17 1 1 A 57 57 SER HA H 57 4.290 4.404 -0.114 1
1 656 . 17 1 1 A 57 57 SER CA C 57 61.100 58.332 2.768 1
1 657 . 17 1 1 A 57 57 SER CB C 57 64.000 63.565 0.435 1
1 658 . 17 1 1 A 57 57 SER N N 57 111.100 111.971 -0.871 1
1 659 . 17 1 1 A 58 58 ASP H H 58 7.030 7.388 -0.358 1
1 660 . 17 1 1 A 58 58 ASP HA H 58 4.650 4.314 0.336 1
1 663 . 17 1 1 A 58 58 ASP CA C 58 51.400 52.803 -1.403 1
1 664 . 17 1 1 A 58 58 ASP CB C 58 37.200 39.843 -2.643 1
1 665 . 17 1 1 A 58 58 ASP N N 58 115.600 121.088 -5.488 1
1 666 . 17 1 1 A 59 59 ILE H H 59 8.630 8.002 0.628 1
1 667 . 17 1 1 A 59 59 ILE HA H 59 3.260 3.858 -0.598 1
1 677 . 17 1 1 A 59 59 ILE CA C 59 62.900 63.249 -0.349 1
1 678 . 17 1 1 A 59 59 ILE CB C 59 36.600 37.752 -1.152 1
1 682 . 17 1 1 A 59 59 ILE N N 59 128.500 125.354 3.146 1
1 683 . 17 1 1 A 60 60 ASP H H 60 7.960 7.704 0.256 1
1 684 . 17 1 1 A 60 60 ASP HA H 60 4.480 4.572 -0.092 1
1 687 . 17 1 1 A 60 60 ASP CA C 60 52.300 53.841 -1.541 1
1 688 . 17 1 1 A 60 60 ASP CB C 60 39.100 41.040 -1.940 1
1 689 . 17 1 1 A 60 60 ASP N N 60 113.200 117.664 -4.464 1
1 690 . 17 1 1 A 61 61 GLN H H 61 7.550 7.754 -0.204 1
1 691 . 17 1 1 A 61 61 GLN HA H 61 3.800 4.402 -0.602 1
1 698 . 17 1 1 A 61 61 GLN CA C 61 57.100 56.715 0.385 1
1 699 . 17 1 1 A 61 61 GLN CB C 61 26.400 25.699 0.701 1
1 701 . 17 1 1 A 61 61 GLN N N 61 113.800 114.938 -1.138 1
1 703 . 17 1 1 A 62 62 ASP H H 62 8.390 7.988 0.402 1
1 704 . 17 1 1 A 62 62 ASP HA H 62 4.720 4.776 -0.056 1
1 707 . 17 1 1 A 62 62 ASP CA C 62 52.800 54.147 -1.347 1
1 708 . 17 1 1 A 62 62 ASP CB C 62 41.000 41.557 -0.557 1
1 709 . 17 1 1 A 62 62 ASP N N 62 117.700 118.331 -0.631 1
1 710 . 17 1 1 A 63 63 GLY H H 63 10.840 8.945 1.895 1
1 711 . 17 1 1 A 63 63 GLY HA2 H 63 4.310 4.152 0.158 1
1 712 . 17 1 1 A 63 63 GLY HA3 H 63 3.880 4.260 -0.380 1
1 713 . 17 1 1 A 63 63 GLY CA C 63 46.200 46.370 -0.170 1
1 714 . 17 1 1 A 63 63 GLY N N 63 114.200 108.191 6.009 1
1 715 . 17 1 1 A 64 64 LYS H H 64 8.070 7.805 0.265 1
1 716 . 17 1 1 A 64 64 LYS HA H 64 5.030 4.912 0.118 1
1 725 . 17 1 1 A 64 64 LYS CA C 64 54.200 54.372 -0.172 1
1 726 . 17 1 1 A 64 64 LYS CB C 64 36.100 35.397 0.703 1
1 730 . 17 1 1 A 64 64 LYS N N 64 117.400 119.650 -2.250 1
1 731 . 17 1 1 A 65 65 LEU H H 65 8.990 9.210 -0.220 1
1 732 . 17 1 1 A 65 65 LEU HA H 65 5.750 5.082 0.668 1
1 742 . 17 1 1 A 65 65 LEU CA C 65 52.900 53.507 -0.607 1
1 743 . 17 1 1 A 65 65 LEU CB C 65 43.600 43.148 0.452 1
1 747 . 17 1 1 A 65 65 LEU N N 65 120.700 124.888 -4.188 1
1 748 . 17 1 1 A 66 66 THR H H 66 10.210 9.454 0.756 1
1 749 . 17 1 1 A 66 66 THR HA H 66 4.910 4.696 0.214 1
1 754 . 17 1 1 A 66 66 THR CA C 66 60.900 61.116 -0.216 1
1 755 . 17 1 1 A 66 66 THR CB C 66 71.200 71.181 0.019 1
1 757 . 17 1 1 A 66 66 THR N N 66 116.300 117.842 -1.542 1
1 758 . 17 1 1 A 67 67 ALA H H 67 8.350 8.602 -0.252 1
1 759 . 17 1 1 A 67 67 ALA HA H 67 2.620 3.487 -0.867 1
1 763 . 17 1 1 A 67 67 ALA CA C 67 56.200 55.096 1.104 1
1 764 . 17 1 1 A 67 67 ALA CB C 67 18.000 17.643 0.357 1
1 765 . 17 1 1 A 67 67 ALA N N 67 122.000 123.486 -1.486 1
1 766 . 17 1 1 A 68 68 GLU H H 68 8.160 8.096 0.064 1
1 767 . 17 1 1 A 68 68 GLU HA H 68 4.180 4.271 -0.091 1
1 772 . 17 1 1 A 68 68 GLU CA C 68 60.500 59.819 0.681 1
1 773 . 17 1 1 A 68 68 GLU CB C 68 30.500 29.283 1.217 1
1 775 . 17 1 1 A 68 68 GLU N N 68 112.200 118.021 -5.821 1
1 776 . 17 1 1 A 69 69 GLU H H 69 7.280 7.803 -0.523 1
1 777 . 17 1 1 A 69 69 GLU HA H 69 4.030 4.229 -0.199 1
1 782 . 17 1 1 A 69 69 GLU CA C 69 60.100 58.958 1.142 1
1 783 . 17 1 1 A 69 69 GLU CB C 69 31.800 29.654 2.146 1
1 785 . 17 1 1 A 69 69 GLU N N 69 117.400 120.416 -3.016 1
1 786 . 17 1 1 A 70 70 PHE H H 70 8.940 8.410 0.530 1
1 787 . 17 1 1 A 70 70 PHE HA H 70 4.130 4.264 -0.134 1
1 795 . 17 1 1 A 70 70 PHE CA C 70 61.900 61.334 0.566 1
1 796 . 17 1 1 A 70 70 PHE CB C 70 39.900 39.578 0.322 1
1 800 . 17 1 1 A 70 70 PHE N N 70 119.000 121.921 -2.921 1
1 801 . 17 1 1 A 71 71 ILE H H 71 8.890 8.743 0.147 1
1 802 . 17 1 1 A 71 71 ILE HA H 71 3.380 3.791 -0.411 1
1 812 . 17 1 1 A 71 71 ILE CA C 71 65.800 65.616 0.184 1
1 813 . 17 1 1 A 71 71 ILE CB C 71 39.100 38.104 0.996 1
1 817 . 17 1 1 A 71 71 ILE N N 71 119.800 120.954 -1.154 1
1 818 . 17 1 1 A 72 72 LEU H H 72 7.810 8.629 -0.819 1
1 819 . 17 1 1 A 72 72 LEU HA H 72 4.040 4.146 -0.106 1
1 829 . 17 1 1 A 72 72 LEU CA C 72 58.300 58.123 0.177 1
1 830 . 17 1 1 A 72 72 LEU CB C 72 42.600 41.760 0.840 1
1 834 . 17 1 1 A 72 72 LEU N N 72 118.100 121.260 -3.160 1
1 835 . 17 1 1 A 73 73 ALA H H 73 8.340 8.725 -0.385 1
1 836 . 17 1 1 A 73 73 ALA HA H 73 3.820 4.082 -0.262 1
1 840 . 17 1 1 A 73 73 ALA CA C 73 55.600 55.417 0.183 1
1 841 . 17 1 1 A 73 73 ALA CB C 73 17.600 18.451 -0.851 1
1 842 . 17 1 1 A 73 73 ALA N N 73 122.000 121.116 0.884 1
1 843 . 17 1 1 A 74 74 MET H H 74 7.840 8.167 -0.327 1
1 844 . 17 1 1 A 74 74 MET HA H 74 3.830 4.065 -0.235 1
1 852 . 17 1 1 A 74 74 MET CA C 74 55.400 57.382 -1.982 1
1 853 . 17 1 1 A 74 74 MET CB C 74 27.800 30.946 -3.146 1
1 856 . 17 1 1 A 74 74 MET N N 74 113.400 116.934 -3.534 1
1 857 . 17 1 1 A 75 75 HIS H H 75 8.340 7.948 0.392 1
1 858 . 17 1 1 A 75 75 HIS HA H 75 4.510 4.242 0.268 1
1 863 . 17 1 1 A 75 75 HIS CA C 75 60.000 59.432 0.568 1
1 864 . 17 1 1 A 75 75 HIS CB C 75 31.400 29.708 1.692 1
1 867 . 17 1 1 A 75 75 HIS N N 75 120.200 121.314 -1.114 1
1 868 . 17 1 1 A 76 76 LEU H H 76 8.750 7.973 0.777 1
1 869 . 17 1 1 A 76 76 LEU HA H 76 3.670 3.735 -0.065 1
1 879 . 17 1 1 A 76 76 LEU CA C 76 57.700 57.672 0.028 1
1 880 . 17 1 1 A 76 76 LEU CB C 76 41.400 41.313 0.087 1
1 884 . 17 1 1 A 76 76 LEU N N 76 118.600 119.087 -0.487 1
1 885 . 17 1 1 A 77 77 ILE H H 77 7.980 7.791 0.189 1
1 886 . 17 1 1 A 77 77 ILE HA H 77 3.470 3.409 0.061 1
1 896 . 17 1 1 A 77 77 ILE CA C 77 66.000 64.716 1.284 1
1 897 . 17 1 1 A 77 77 ILE CB C 77 36.500 37.220 -0.720 1
1 901 . 17 1 1 A 77 77 ILE N N 77 120.900 120.195 0.705 1
1 902 . 17 1 1 A 78 78 ASP H H 78 7.490 8.408 -0.918 1
1 903 . 17 1 1 A 78 78 ASP HA H 78 4.300 4.246 0.054 1
1 906 . 17 1 1 A 78 78 ASP CA C 78 57.900 57.628 0.272 1
1 907 . 17 1 1 A 78 78 ASP CB C 78 39.000 42.124 -3.124 1
1 908 . 17 1 1 A 78 78 ASP N N 78 121.500 120.765 0.735 1
1 909 . 17 1 1 A 79 79 VAL H H 79 8.380 8.020 0.360 1
1 910 . 17 1 1 A 79 79 VAL HA H 79 3.390 3.445 -0.055 1
1 918 . 17 1 1 A 79 79 VAL CA C 79 66.400 66.406 -0.006 1
1 919 . 17 1 1 A 79 79 VAL CB C 79 31.700 31.333 0.367 1
1 922 . 17 1 1 A 79 79 VAL N N 79 122.400 119.248 3.152 1
1 923 . 17 1 1 A 80 80 ALA H H 80 8.730 8.384 0.346 1
1 924 . 17 1 1 A 80 80 ALA HA H 80 4.360 4.199 0.161 1
1 928 . 17 1 1 A 80 80 ALA CA C 80 54.800 55.579 -0.779 1
1 929 . 17 1 1 A 80 80 ALA CB C 80 18.100 17.888 0.212 1
1 930 . 17 1 1 A 80 80 ALA N N 80 125.200 121.695 3.505 1
1 931 . 17 1 1 A 81 81 MET H H 81 9.360 8.835 0.525 1
1 932 . 17 1 1 A 81 81 MET HA H 81 4.210 4.219 -0.009 1
1 940 . 17 1 1 A 81 81 MET CA C 81 57.800 57.853 -0.053 1
1 941 . 17 1 1 A 81 81 MET CB C 81 31.800 32.048 -0.248 1
1 944 . 17 1 1 A 81 81 MET N N 81 119.600 117.414 2.186 1
1 945 . 17 1 1 A 82 82 SER H H 82 7.780 7.463 0.317 1
1 946 . 17 1 1 A 82 82 SER HA H 82 4.510 4.535 -0.025 1
1 949 . 17 1 1 A 82 82 SER CA C 82 59.500 58.230 1.270 1
1 950 . 17 1 1 A 82 82 SER CB C 82 64.000 63.605 0.395 1
1 951 . 17 1 1 A 82 82 SER N N 82 114.000 112.024 1.976 1
1 952 . 17 1 1 A 83 83 GLY H H 83 7.910 8.260 -0.350 1
1 953 . 17 1 1 A 83 83 GLY HA2 H 83 3.700 3.879 -0.179 1
1 954 . 17 1 1 A 83 83 GLY HA3 H 83 4.350 3.882 0.468 1
1 955 . 17 1 1 A 83 83 GLY CA C 83 44.900 45.445 -0.545 1
1 956 . 17 1 1 A 83 83 GLY N N 83 109.400 109.911 -0.511 1
1 957 . 17 1 1 A 84 84 GLN H H 84 7.100 7.633 -0.533 1
1 958 . 17 1 1 A 84 84 GLN HA H 84 4.530 4.609 -0.079 1
1 965 . 17 1 1 A 84 84 GLN CA C 84 53.100 52.910 0.190 1
1 966 . 17 1 1 A 84 84 GLN CB C 84 29.000 29.061 -0.061 1
1 968 . 17 1 1 A 84 84 GLN N N 84 120.700 120.691 0.009 1
1 970 . 17 1 1 A 85 85 PRO HA H 85 4.360 4.622 -0.262 1
1 977 . 17 1 1 A 85 85 PRO CA C 85 61.800 62.206 -0.406 1
1 978 . 17 1 1 A 85 85 PRO CB C 85 31.800 33.019 -1.219 1
1 981 . 17 1 1 A 86 86 LEU H H 86 8.360 8.266 0.094 1
1 982 . 17 1 1 A 86 86 LEU HA H 86 4.380 4.868 -0.488 1
1 992 . 17 1 1 A 86 86 LEU CA C 86 51.600 52.072 -0.472 1
1 993 . 17 1 1 A 86 86 LEU CB C 86 41.000 44.058 -3.058 1
1 997 . 17 1 1 A 86 86 LEU N N 86 121.700 121.824 -0.124 1
1 998 . 17 1 1 A 87 87 PRO HA H 87 4.740 4.672 0.068 1
1 1005 . 17 1 1 A 87 87 PRO CA C 87 60.800 61.505 -0.705 1
1 1006 . 17 1 1 A 87 87 PRO CB C 87 30.900 32.058 -1.158 1
1 1009 . 17 1 1 A 88 88 PRO HA H 88 4.330 4.364 -0.034 1
1 1016 . 17 1 1 A 88 88 PRO CA C 88 63.900 64.863 -0.963 1
1 1017 . 17 1 1 A 88 88 PRO CB C 88 31.700 32.191 -0.491 1
1 1020 . 17 1 1 A 89 89 VAL H H 89 6.840 7.770 -0.930 1
1 1021 . 17 1 1 A 89 89 VAL HA H 89 4.030 4.603 -0.573 1
1 1029 . 17 1 1 A 89 89 VAL CA C 89 59.300 60.709 -1.409 1
1 1030 . 17 1 1 A 89 89 VAL CB C 89 35.500 35.074 0.426 1
1 1033 . 17 1 1 A 89 89 VAL N N 89 112.700 117.773 -5.073 1
1 1034 . 17 1 1 A 90 90 LEU H H 90 8.990 8.870 0.120 1
1 1035 . 17 1 1 A 90 90 LEU HA H 90 4.150 4.910 -0.760 1
1 1045 . 17 1 1 A 90 90 LEU CA C 90 53.500 51.352 2.148 1
1 1046 . 17 1 1 A 90 90 LEU CB C 90 42.200 45.062 -2.862 1
1 1050 . 17 1 1 A 90 90 LEU N N 90 127.800 129.217 -1.417 1
1 1051 . 17 1 1 A 91 91 PRO HA H 91 4.830 4.722 0.108 1
1 1058 . 17 1 1 A 91 91 PRO CA C 91 61.100 61.777 -0.677 1
1 1059 . 17 1 1 A 91 91 PRO CB C 91 31.300 32.469 -1.169 1
1 1062 . 17 1 1 A 92 92 PRO HA H 92 4.230 4.230 0.000 1
1 1069 . 17 1 1 A 92 92 PRO CA C 92 65.100 65.303 -0.203 1
1 1070 . 17 1 1 A 92 92 PRO CB C 92 31.800 32.056 -0.256 1
1 1073 . 17 1 1 A 93 93 GLU H H 93 10.180 8.801 1.379 1
1 1074 . 17 1 1 A 93 93 GLU HA H 93 4.300 4.207 0.093 1
1 1079 . 17 1 1 A 93 93 GLU CA C 93 58.700 59.242 -0.542 1
1 1080 . 17 1 1 A 93 93 GLU CB C 93 27.500 29.101 -1.601 1
1 1082 . 17 1 1 A 93 93 GLU N N 93 116.400 117.376 -0.976 1
1 1083 . 17 1 1 A 94 94 TYR H H 94 8.510 8.047 0.463 1
1 1084 . 17 1 1 A 94 94 TYR HA H 94 4.510 4.899 -0.389 1
1 1091 . 17 1 1 A 94 94 TYR CA C 94 60.100 58.235 1.865 1
1 1092 . 17 1 1 A 94 94 TYR CB C 94 39.600 38.919 0.681 1
1 1095 . 17 1 1 A 94 94 TYR N N 94 119.400 116.014 3.386 1
1 1096 . 17 1 1 A 95 95 ILE H H 95 7.800 7.671 0.129 1
1 1097 . 17 1 1 A 95 95 ILE HA H 95 3.940 4.421 -0.481 1
1 1107 . 17 1 1 A 95 95 ILE CA C 95 60.200 57.669 2.531 1
1 1108 . 17 1 1 A 95 95 ILE CB C 95 37.800 38.369 -0.569 1
1 1112 . 17 1 1 A 95 95 ILE N N 95 124.500 121.711 2.789 1
1 1113 . 17 1 1 A 96 96 PRO HA H 96 2.770 3.950 -1.180 1
1 1120 . 17 1 1 A 96 96 PRO CA C 96 60.700 61.582 -0.882 1
1 1121 . 17 1 1 A 96 96 PRO CB C 96 31.400 32.111 -0.711 1
1 1124 . 17 1 1 A 97 97 PRO HA H 97 3.680 4.081 -0.401 1
1 1131 . 17 1 1 A 97 97 PRO CA C 97 65.900 65.387 0.513 1
1 1132 . 17 1 1 A 97 97 PRO CB C 97 32.100 31.899 0.201 1
1 1135 . 17 1 1 A 98 98 SER H H 98 9.160 8.084 1.076 1
1 1136 . 17 1 1 A 98 98 SER HA H 98 3.980 3.974 0.006 1
1 1139 . 17 1 1 A 98 98 SER CA C 98 60.900 60.529 0.371 1
1 1140 . 17 1 1 A 98 98 SER CB C 98 62.200 62.517 -0.317 1
1 1141 . 17 1 1 A 98 98 SER N N 98 112.400 112.433 -0.033 1
1 1142 . 17 1 1 A 99 99 PHE H H 99 7.950 7.904 0.046 1
1 1143 . 17 1 1 A 99 99 PHE HA H 99 4.470 4.860 -0.390 1
1 1151 . 17 1 1 A 99 99 PHE CA C 99 58.500 56.916 1.584 1
1 1152 . 17 1 1 A 99 99 PHE CB C 99 40.100 38.825 1.275 1
1 1156 . 17 1 1 A 99 99 PHE N N 99 118.800 117.402 1.398 1
1 1157 . 17 1 1 A 100 100 ARG H H 100 7.350 7.779 -0.429 1
1 1158 . 17 1 1 A 100 100 ARG HA H 100 4.270 4.374 -0.104 1
1 1165 . 17 1 1 A 100 100 ARG CA C 100 56.600 57.528 -0.928 1
1 1166 . 17 1 1 A 100 100 ARG CB C 100 30.300 31.131 -0.831 1
1 1169 . 17 1 1 A 100 100 ARG N N 100 120.200 120.058 0.142 1
1 1170 . 17 1 1 A 101 101 ARG H H 101 8.180 8.027 0.153 1
1 1171 . 17 1 1 A 101 101 ARG HA H 101 4.270 4.619 -0.349 1
1 1177 . 17 1 1 A 101 101 ARG CA C 101 56.700 55.143 1.557 1
1 1178 . 17 1 1 A 101 101 ARG CB C 101 30.700 30.033 0.667 1
1 1181 . 17 1 1 A 101 101 ARG N N 101 121.100 115.628 5.472 1
1 1182 . 17 1 1 A 102 102 VAL H H 102 8.160 7.706 0.454 1
1 1183 . 17 1 1 A 102 102 VAL HA H 102 4.080 4.249 -0.169 1
1 1191 . 17 1 1 A 102 102 VAL CA C 102 62.500 62.639 -0.139 1
1 1192 . 17 1 1 A 102 102 VAL CB C 102 32.700 32.195 0.505 1
1 1195 . 17 1 1 A 102 102 VAL N N 102 121.500 119.479 2.021 1
1 1196 . 17 1 1 A 103 103 ARG H H 103 7.920 8.030 -0.110 1
1 1197 . 17 1 1 A 103 103 ARG HA H 103 4.160 4.006 0.154 1
1 1204 . 17 1 1 A 103 103 ARG CA C 103 57.300 56.904 0.396 1
1 1205 . 17 1 1 A 103 103 ARG CB C 103 31.600 28.900 2.700 1
1 1208 . 17 1 1 A 103 103 ARG N N 103 129.400 122.203 7.197 1
1 1209 . 17 1 1 A 104 104 LEU H H 104 8.190 8.705 -0.515 1
1 1210 . 17 1 1 A 104 104 LEU N N 104 122.800 127.265 -4.465 1
1 1211 . 17 1 1 A 105 105 GLU H H 105 8.220 8.905 -0.685 1
1 8 . 18 1 1 A 2 2 PRO HA H 2 4.430 4.711 -0.281 1
1 15 . 18 1 1 A 2 2 PRO CA C 2 62.800 62.668 0.132 1
1 16 . 18 1 1 A 2 2 PRO CB C 2 31.900 31.636 0.264 1
1 19 . 18 1 1 A 3 3 VAL H H 3 8.130 8.297 -0.167 1
1 20 . 18 1 1 A 3 3 VAL HA H 3 4.030 4.354 -0.324 1
1 28 . 18 1 1 A 3 3 VAL CA C 3 62.200 62.034 0.166 1
1 29 . 18 1 1 A 3 3 VAL CB C 3 32.700 30.463 2.237 1
1 32 . 18 1 1 A 3 3 VAL N N 3 120.100 124.014 -3.914 1
1 33 . 18 1 1 A 4 4 ALA H H 4 8.330 7.914 0.416 1
1 34 . 18 1 1 A 4 4 ALA HA H 4 4.310 4.681 -0.371 1
1 38 . 18 1 1 A 4 4 ALA CA C 4 52.100 51.721 0.379 1
1 39 . 18 1 1 A 4 4 ALA CB C 4 19.400 19.041 0.359 1
1 40 . 18 1 1 A 4 4 ALA N N 4 127.300 129.444 -2.144 1
1 41 . 18 1 1 A 5 5 GLU H H 5 8.290 8.781 -0.491 1
1 42 . 18 1 1 A 5 5 GLU HA H 5 4.290 4.642 -0.352 1
1 47 . 18 1 1 A 5 5 GLU CA C 5 56.100 56.777 -0.677 1
1 48 . 18 1 1 A 5 5 GLU CB C 5 30.500 29.363 1.137 1
1 50 . 18 1 1 A 5 5 GLU N N 5 121.000 122.623 -1.623 1
1 51 . 18 1 1 A 6 6 TRP H H 6 8.670 8.891 -0.221 1
1 52 . 18 1 1 A 6 6 TRP HA H 6 5.020 4.846 0.174 1
1 61 . 18 1 1 A 6 6 TRP CA C 6 54.500 58.009 -3.509 1
1 62 . 18 1 1 A 6 6 TRP CB C 6 30.100 27.880 2.220 1
1 68 . 18 1 1 A 6 6 TRP N N 6 124.900 125.594 -0.694 1
1 70 . 18 1 1 A 7 7 ALA H H 7 7.850 8.625 -0.775 1
1 71 . 18 1 1 A 7 7 ALA HA H 7 3.790 4.108 -0.318 1
1 75 . 18 1 1 A 7 7 ALA CA C 7 53.200 51.710 1.490 1
1 76 . 18 1 1 A 7 7 ALA CB C 7 18.000 17.062 0.938 1
1 77 . 18 1 1 A 7 7 ALA N N 7 128.000 129.094 -1.094 1
1 78 . 18 1 1 A 8 8 VAL H H 8 5.280 7.439 -2.159 1
1 79 . 18 1 1 A 8 8 VAL HA H 8 2.850 4.090 -1.240 1
1 87 . 18 1 1 A 8 8 VAL CA C 8 59.700 57.603 2.097 1
1 88 . 18 1 1 A 8 8 VAL CB C 8 31.600 34.273 -2.673 1
1 91 . 18 1 1 A 8 8 VAL N N 8 117.000 118.834 -1.834 1
1 92 . 18 1 1 A 9 9 PRO HA H 9 4.340 4.388 -0.048 1
1 99 . 18 1 1 A 9 9 PRO CA C 9 62.800 62.957 -0.157 1
1 100 . 18 1 1 A 9 9 PRO CB C 9 32.400 32.569 -0.169 1
1 103 . 18 1 1 A 10 10 GLN HA H 10 3.710 3.929 -0.219 1
1 110 . 18 1 1 A 10 10 GLN CA C 10 60.100 59.128 0.972 1
1 111 . 18 1 1 A 10 10 GLN CB C 10 28.000 28.463 -0.463 1
1 114 . 18 1 1 A 11 11 SER HA H 11 4.070 4.142 -0.072 1
1 117 . 18 1 1 A 11 11 SER CA C 11 61.400 61.894 -0.494 1
1 118 . 18 1 1 A 11 11 SER CB C 11 61.400 62.708 -1.308 1
1 119 . 18 1 1 A 12 12 SER H H 12 7.070 7.896 -0.826 1
1 120 . 18 1 1 A 12 12 SER HA H 12 3.990 4.048 -0.058 1
1 123 . 18 1 1 A 12 12 SER CA C 12 61.500 61.369 0.131 1
1 124 . 18 1 1 A 12 12 SER CB C 12 61.500 62.956 -1.456 1
1 125 . 18 1 1 A 12 12 SER N N 12 119.300 116.546 2.754 1
1 126 . 18 1 1 A 13 13 ARG H H 13 8.000 7.895 0.105 1
1 127 . 18 1 1 A 13 13 ARG HA H 13 3.930 4.077 -0.147 1
1 134 . 18 1 1 A 13 13 ARG CA C 13 59.800 59.108 0.692 1
1 135 . 18 1 1 A 13 13 ARG CB C 13 30.300 29.916 0.384 1
1 138 . 18 1 1 A 13 13 ARG N N 13 121.600 121.698 -0.098 1
1 139 . 18 1 1 A 14 14 LEU H H 14 7.710 8.148 -0.438 1
1 140 . 18 1 1 A 14 14 LEU HA H 14 4.120 4.022 0.098 1
1 150 . 18 1 1 A 14 14 LEU CA C 14 57.900 57.921 -0.021 1
1 151 . 18 1 1 A 14 14 LEU CB C 14 41.900 41.477 0.423 1
1 155 . 18 1 1 A 14 14 LEU N N 14 117.100 119.844 -2.744 1
1 156 . 18 1 1 A 15 15 LYS H H 15 7.450 7.955 -0.505 1
1 157 . 18 1 1 A 15 15 LYS HA H 15 4.050 3.910 0.140 1
1 166 . 18 1 1 A 15 15 LYS CA C 15 59.100 58.939 0.161 1
1 167 . 18 1 1 A 15 15 LYS CB C 15 33.000 32.061 0.939 1
1 171 . 18 1 1 A 15 15 LYS N N 15 118.800 120.226 -1.426 1
1 172 . 18 1 1 A 16 16 TYR H H 16 8.640 7.677 0.963 1
1 173 . 18 1 1 A 16 16 TYR HA H 16 5.130 4.626 0.504 1
1 180 . 18 1 1 A 16 16 TYR CA C 16 58.900 60.902 -2.002 1
1 181 . 18 1 1 A 16 16 TYR CB C 16 37.100 38.351 -1.251 1
1 184 . 18 1 1 A 16 16 TYR N N 16 117.800 117.711 0.089 1
1 185 . 18 1 1 A 17 17 ARG H H 17 8.470 8.482 -0.012 1
1 186 . 18 1 1 A 17 17 ARG HA H 17 4.230 4.146 0.084 1
1 193 . 18 1 1 A 17 17 ARG CA C 17 59.700 59.408 0.292 1
1 194 . 18 1 1 A 17 17 ARG CB C 17 29.800 29.723 0.077 1
1 197 . 18 1 1 A 17 17 ARG N N 17 124.000 122.722 1.278 1
1 198 . 18 1 1 A 18 18 GLN H H 18 7.740 7.891 -0.151 1
1 199 . 18 1 1 A 18 18 GLN HA H 18 4.190 4.279 -0.089 1
1 206 . 18 1 1 A 18 18 GLN CA C 18 59.300 57.458 1.842 1
1 207 . 18 1 1 A 18 18 GLN CB C 18 27.900 29.054 -1.154 1
1 209 . 18 1 1 A 18 18 GLN N N 18 118.000 116.619 1.381 1
1 211 . 18 1 1 A 19 19 LEU H H 19 7.770 7.899 -0.129 1
1 212 . 18 1 1 A 19 19 LEU HA H 19 4.400 4.647 -0.247 1
1 222 . 18 1 1 A 19 19 LEU CA C 19 58.000 54.060 3.940 1
1 223 . 18 1 1 A 19 19 LEU CB C 19 42.800 42.971 -0.171 1
1 227 . 18 1 1 A 19 19 LEU N N 19 120.500 121.274 -0.774 1
1 228 . 18 1 1 A 20 20 PHE H H 20 8.710 8.029 0.681 1
1 229 . 18 1 1 A 20 20 PHE HA H 20 3.330 3.499 -0.169 1
1 237 . 18 1 1 A 20 20 PHE CA C 20 62.400 62.072 0.328 1
1 238 . 18 1 1 A 20 20 PHE CB C 20 38.500 39.037 -0.537 1
1 242 . 18 1 1 A 20 20 PHE N N 20 121.900 122.184 -0.284 1
1 243 . 18 1 1 A 21 21 ASN H H 21 8.770 9.032 -0.262 1
1 244 . 18 1 1 A 21 21 ASN HA H 21 4.380 4.605 -0.225 1
1 249 . 18 1 1 A 21 21 ASN CA C 21 55.400 56.387 -0.987 1
1 250 . 18 1 1 A 21 21 ASN CB C 21 37.600 39.515 -1.915 1
1 251 . 18 1 1 A 21 21 ASN N N 21 117.300 117.676 -0.376 1
1 253 . 18 1 1 A 22 22 SER H H 22 7.900 8.476 -0.576 1
1 254 . 18 1 1 A 22 22 SER HA H 22 4.180 4.192 -0.012 1
1 257 . 18 1 1 A 22 22 SER CA C 22 60.700 61.730 -1.030 1
1 258 . 18 1 1 A 22 22 SER CB C 22 62.900 62.986 -0.086 1
1 259 . 18 1 1 A 22 22 SER N N 22 114.800 116.375 -1.575 1
1 260 . 18 1 1 A 23 23 HIS H H 23 7.310 8.530 -1.220 1
1 261 . 18 1 1 A 23 23 HIS HA H 23 4.480 4.626 -0.146 1
1 266 . 18 1 1 A 23 23 HIS CA C 23 58.000 55.351 2.649 1
1 267 . 18 1 1 A 23 23 HIS CB C 23 32.400 29.883 2.517 1
1 270 . 18 1 1 A 23 23 HIS N N 23 118.900 115.711 3.189 1
1 271 . 18 1 1 A 24 24 ASP H H 24 7.870 7.841 0.029 1
1 272 . 18 1 1 A 24 24 ASP HA H 24 4.850 4.425 0.425 1
1 275 . 18 1 1 A 24 24 ASP CA C 24 52.100 54.084 -1.984 1
1 276 . 18 1 1 A 24 24 ASP CB C 24 38.500 42.152 -3.652 1
1 277 . 18 1 1 A 24 24 ASP N N 24 122.400 121.913 0.487 1
1 278 . 18 1 1 A 25 25 LYS H H 25 7.900 8.710 -0.810 1
1 279 . 18 1 1 A 25 25 LYS HA H 25 4.070 4.450 -0.380 1
1 288 . 18 1 1 A 25 25 LYS CA C 25 58.600 57.056 1.544 1
1 289 . 18 1 1 A 25 25 LYS CB C 25 32.600 33.730 -1.130 1
1 293 . 18 1 1 A 25 25 LYS N N 25 122.400 121.692 0.708 1
1 294 . 18 1 1 A 26 26 THR H H 26 8.120 7.824 0.296 1
1 295 . 18 1 1 A 26 26 THR HA H 26 4.340 4.569 -0.229 1
1 300 . 18 1 1 A 26 26 THR CA C 26 61.000 62.050 -1.050 1
1 301 . 18 1 1 A 26 26 THR CB C 26 69.100 69.609 -0.509 1
1 303 . 18 1 1 A 26 26 THR N N 26 106.400 107.545 -1.145 1
1 304 . 18 1 1 A 27 27 MET H H 27 8.030 8.328 -0.298 1
1 305 . 18 1 1 A 27 27 MET HA H 27 3.980 4.948 -0.968 1
1 310 . 18 1 1 A 27 27 MET CA C 27 56.600 54.252 2.348 1
1 311 . 18 1 1 A 27 27 MET CB C 27 29.100 33.145 -4.045 1
1 313 . 18 1 1 A 27 27 MET N N 27 119.600 119.986 -0.386 1
1 314 . 18 1 1 A 28 28 SER H H 28 9.520 9.021 0.499 1
1 315 . 18 1 1 A 28 28 SER HA H 28 4.250 4.286 -0.036 1
1 318 . 18 1 1 A 28 28 SER CA C 28 60.500 59.123 1.377 1
1 319 . 18 1 1 A 28 28 SER CB C 28 64.400 60.863 3.537 1
1 320 . 18 1 1 A 28 28 SER N N 28 118.600 115.716 2.884 1
1 321 . 18 1 1 A 29 29 GLY H H 29 10.710 7.927 2.783 1
1 322 . 18 1 1 A 29 29 GLY HA2 H 29 4.380 3.851 0.529 1
1 323 . 18 1 1 A 29 29 GLY HA3 H 29 3.690 3.892 -0.202 1
1 324 . 18 1 1 A 29 29 GLY CA C 29 45.200 45.186 0.014 1
1 325 . 18 1 1 A 29 29 GLY N N 29 113.800 109.701 4.099 1
1 326 . 18 1 1 A 30 30 HIS H H 30 7.870 8.270 -0.400 1
1 327 . 18 1 1 A 30 30 HIS HA H 30 5.520 4.820 0.700 1
1 332 . 18 1 1 A 30 30 HIS CA C 30 55.800 56.245 -0.445 1
1 333 . 18 1 1 A 30 30 HIS CB C 30 32.800 29.172 3.628 1
1 336 . 18 1 1 A 30 30 HIS N N 30 115.700 115.901 -0.201 1
1 337 . 18 1 1 A 31 31 LEU H H 31 9.140 9.534 -0.394 1
1 338 . 18 1 1 A 31 31 LEU HA H 31 4.840 5.081 -0.241 1
1 348 . 18 1 1 A 31 31 LEU CA C 31 52.900 53.387 -0.487 1
1 349 . 18 1 1 A 31 31 LEU CB C 31 44.200 44.810 -0.610 1
1 353 . 18 1 1 A 31 31 LEU N N 31 117.200 120.942 -3.742 1
1 354 . 18 1 1 A 32 32 THR H H 32 8.680 8.833 -0.153 1
1 355 . 18 1 1 A 32 32 THR HA H 32 4.340 4.786 -0.446 1
1 360 . 18 1 1 A 32 32 THR CA C 32 61.500 60.534 0.966 1
1 361 . 18 1 1 A 32 32 THR CB C 32 70.200 71.547 -1.347 1
1 363 . 18 1 1 A 32 32 THR N N 32 113.400 113.203 0.197 1
1 364 . 18 1 1 A 33 33 GLY H H 33 9.090 8.915 0.175 1
1 365 . 18 1 1 A 33 33 GLY HA2 H 33 3.970 3.920 0.050 1
1 366 . 18 1 1 A 33 33 GLY HA3 H 33 4.070 4.168 -0.098 1
1 367 . 18 1 1 A 33 33 GLY CA C 33 49.300 48.329 0.971 1
1 368 . 18 1 1 A 33 33 GLY N N 33 108.000 109.512 -1.512 1
1 369 . 18 1 1 A 34 34 PRO HA H 34 4.110 4.178 -0.068 1
1 376 . 18 1 1 A 34 34 PRO CA C 34 65.400 65.518 -0.118 1
1 377 . 18 1 1 A 34 34 PRO CB C 34 32.200 31.018 1.182 1
1 380 . 18 1 1 A 35 35 GLN H H 35 7.240 8.197 -0.957 1
1 381 . 18 1 1 A 35 35 GLN HA H 35 4.040 4.051 -0.011 1
1 388 . 18 1 1 A 35 35 GLN CA C 35 58.200 59.329 -1.129 1
1 389 . 18 1 1 A 35 35 GLN CB C 35 29.800 28.362 1.438 1
1 391 . 18 1 1 A 35 35 GLN N N 35 116.700 117.348 -0.648 1
1 393 . 18 1 1 A 36 36 ALA H H 36 9.180 8.639 0.541 1
1 394 . 18 1 1 A 36 36 ALA HA H 36 4.080 4.290 -0.210 1
1 398 . 18 1 1 A 36 36 ALA CA C 36 54.900 55.480 -0.580 1
1 399 . 18 1 1 A 36 36 ALA CB C 36 18.900 18.418 0.482 1
1 400 . 18 1 1 A 36 36 ALA N N 36 120.000 122.993 -2.993 1
1 401 . 18 1 1 A 37 37 ARG H H 37 9.060 8.551 0.509 1
1 402 . 18 1 1 A 37 37 ARG HA H 37 3.860 4.016 -0.156 1
1 409 . 18 1 1 A 37 37 ARG CA C 37 61.000 59.717 1.283 1
1 410 . 18 1 1 A 37 37 ARG CB C 37 29.900 30.010 -0.110 1
1 413 . 18 1 1 A 37 37 ARG N N 37 117.200 116.901 0.299 1
1 414 . 18 1 1 A 38 38 THR H H 38 7.620 8.253 -0.633 1
1 415 . 18 1 1 A 38 38 THR HA H 38 3.920 4.010 -0.090 1
1 420 . 18 1 1 A 38 38 THR CA C 38 66.900 67.019 -0.119 1
1 421 . 18 1 1 A 38 38 THR CB C 38 68.800 67.871 0.929 1
1 423 . 18 1 1 A 38 38 THR N N 38 114.600 118.488 -3.888 1
1 424 . 18 1 1 A 39 39 ILE H H 39 7.180 7.669 -0.489 1
1 425 . 18 1 1 A 39 39 ILE HA H 39 3.730 3.716 0.014 1
1 435 . 18 1 1 A 39 39 ILE CA C 39 64.900 64.219 0.681 1
1 436 . 18 1 1 A 39 39 ILE CB C 39 39.000 37.798 1.202 1
1 440 . 18 1 1 A 39 39 ILE N N 39 121.500 121.624 -0.124 1
1 441 . 18 1 1 A 40 40 LEU H H 40 8.480 8.432 0.048 1
1 442 . 18 1 1 A 40 40 LEU HA H 40 3.870 3.851 0.019 1
1 452 . 18 1 1 A 40 40 LEU CA C 40 58.500 57.860 0.640 1
1 453 . 18 1 1 A 40 40 LEU CB C 40 40.800 41.312 -0.512 1
1 457 . 18 1 1 A 40 40 LEU N N 40 119.900 119.924 -0.024 1
1 458 . 18 1 1 A 41 41 MET H H 41 8.160 8.579 -0.419 1
1 459 . 18 1 1 A 41 41 MET HA H 41 4.200 4.245 -0.045 1
1 464 . 18 1 1 A 41 41 MET CA C 41 57.700 57.786 -0.086 1
1 465 . 18 1 1 A 41 41 MET CB C 41 32.500 32.371 0.129 1
1 467 . 18 1 1 A 41 41 MET N N 41 115.300 118.331 -3.031 1
1 468 . 18 1 1 A 42 42 GLN H H 42 7.600 7.654 -0.054 1
1 469 . 18 1 1 A 42 42 GLN HA H 42 4.230 4.322 -0.092 1
1 476 . 18 1 1 A 42 42 GLN CA C 42 57.200 57.986 -0.786 1
1 477 . 18 1 1 A 42 42 GLN CB C 42 27.900 28.522 -0.622 1
1 479 . 18 1 1 A 42 42 GLN N N 42 118.900 118.798 0.102 1
1 481 . 18 1 1 A 43 43 SER H H 43 7.670 7.491 0.179 1
1 482 . 18 1 1 A 43 43 SER HA H 43 4.300 4.332 -0.032 1
1 485 . 18 1 1 A 43 43 SER CA C 43 59.800 59.111 0.689 1
1 486 . 18 1 1 A 43 43 SER CB C 43 65.200 64.174 1.026 1
1 487 . 18 1 1 A 43 43 SER N N 43 113.900 113.606 0.294 1
1 488 . 18 1 1 A 44 44 SER H H 44 8.040 7.961 0.079 1
1 489 . 18 1 1 A 44 44 SER HA H 44 4.300 4.139 0.161 1
1 492 . 18 1 1 A 44 44 SER CA C 44 59.400 59.618 -0.218 1
1 493 . 18 1 1 A 44 44 SER CB C 44 62.500 61.211 1.289 1
1 494 . 18 1 1 A 44 44 SER N N 44 113.500 112.907 0.593 1
1 495 . 18 1 1 A 45 45 LEU H H 45 7.430 7.862 -0.432 1
1 496 . 18 1 1 A 45 45 LEU HA H 45 4.470 4.420 0.050 1
1 506 . 18 1 1 A 45 45 LEU CA C 45 53.300 52.971 0.329 1
1 507 . 18 1 1 A 45 45 LEU CB C 45 41.700 41.292 0.408 1
1 511 . 18 1 1 A 45 45 LEU N N 45 121.900 121.719 0.181 1
1 512 . 18 1 1 A 46 46 PRO HA H 46 4.460 4.545 -0.085 1
1 519 . 18 1 1 A 46 46 PRO CA C 46 62.500 62.882 -0.382 1
1 520 . 18 1 1 A 46 46 PRO CB C 46 32.500 32.553 -0.053 1
1 523 . 18 1 1 A 47 47 GLN H H 47 8.820 8.532 0.288 1
1 524 . 18 1 1 A 47 47 GLN HA H 47 3.870 3.859 0.011 1
1 531 . 18 1 1 A 47 47 GLN CA C 47 59.600 59.048 0.552 1
1 532 . 18 1 1 A 47 47 GLN CB C 47 28.100 28.425 -0.325 1
1 534 . 18 1 1 A 47 47 GLN N N 47 123.400 122.206 1.194 1
1 536 . 18 1 1 A 48 48 ALA H H 48 9.000 8.170 0.830 1
1 537 . 18 1 1 A 48 48 ALA HA H 48 4.150 4.058 0.092 1
1 541 . 18 1 1 A 48 48 ALA CA C 48 55.200 55.463 -0.263 1
1 542 . 18 1 1 A 48 48 ALA CB C 48 18.200 18.004 0.196 1
1 543 . 18 1 1 A 48 48 ALA N N 48 119.800 122.816 -3.016 1
1 544 . 18 1 1 A 49 49 GLN H H 49 7.190 8.235 -1.045 1
1 545 . 18 1 1 A 49 49 GLN HA H 49 4.230 4.010 0.220 1
1 552 . 18 1 1 A 49 49 GLN CA C 49 58.600 58.819 -0.219 1
1 553 . 18 1 1 A 49 49 GLN CB C 49 29.400 28.445 0.955 1
1 555 . 18 1 1 A 49 49 GLN N N 49 115.800 117.115 -1.315 1
1 557 . 18 1 1 A 50 50 LEU H H 50 7.800 8.380 -0.580 1
1 558 . 18 1 1 A 50 50 LEU HA H 50 3.930 3.988 -0.058 1
1 568 . 18 1 1 A 50 50 LEU CA C 50 57.900 57.986 -0.086 1
1 569 . 18 1 1 A 50 50 LEU CB C 50 41.100 41.398 -0.298 1
1 573 . 18 1 1 A 50 50 LEU N N 50 119.800 120.197 -0.397 1
1 574 . 18 1 1 A 51 51 ALA H H 51 8.410 8.842 -0.432 1
1 575 . 18 1 1 A 51 51 ALA HA H 51 4.210 4.095 0.115 1
1 579 . 18 1 1 A 51 51 ALA CA C 51 55.100 55.282 -0.182 1
1 580 . 18 1 1 A 51 51 ALA CB C 51 17.500 17.956 -0.456 1
1 581 . 18 1 1 A 51 51 ALA N N 51 122.600 122.906 -0.306 1
1 582 . 18 1 1 A 52 52 SER H H 52 7.530 7.743 -0.213 1
1 583 . 18 1 1 A 52 52 SER HA H 52 4.310 4.215 0.095 1
1 586 . 18 1 1 A 52 52 SER CA C 52 62.200 61.571 0.629 1
1 587 . 18 1 1 A 52 52 SER CB C 52 62.600 63.000 -0.400 1
1 588 . 18 1 1 A 52 52 SER N N 52 115.300 113.210 2.090 1
1 589 . 18 1 1 A 53 53 ILE H H 53 8.270 8.265 0.005 1
1 590 . 18 1 1 A 53 53 ILE HA H 53 3.430 3.647 -0.217 1
1 600 . 18 1 1 A 53 53 ILE CA C 53 66.300 64.921 1.379 1
1 601 . 18 1 1 A 53 53 ILE CB C 53 37.900 37.504 0.396 1
1 605 . 18 1 1 A 53 53 ILE N N 53 122.000 121.559 0.441 1
1 606 . 18 1 1 A 54 54 TRP H H 54 8.480 8.580 -0.100 1
1 607 . 18 1 1 A 54 54 TRP HA H 54 3.720 4.092 -0.372 1
1 616 . 18 1 1 A 54 54 TRP CA C 54 61.400 60.612 0.788 1
1 617 . 18 1 1 A 54 54 TRP CB C 54 28.100 29.373 -1.273 1
1 623 . 18 1 1 A 54 54 TRP N N 54 122.100 121.636 0.464 1
1 625 . 18 1 1 A 55 55 ASN H H 55 7.860 8.557 -0.697 1
1 626 . 18 1 1 A 55 55 ASN HA H 55 4.350 4.482 -0.132 1
1 631 . 18 1 1 A 55 55 ASN CA C 55 55.900 56.417 -0.517 1
1 632 . 18 1 1 A 55 55 ASN CB C 55 38.500 39.884 -1.384 1
1 633 . 18 1 1 A 55 55 ASN N N 55 113.900 118.079 -4.179 1
1 635 . 18 1 1 A 56 56 LEU H H 56 8.020 8.283 -0.263 1
1 636 . 18 1 1 A 56 56 LEU HA H 56 3.990 4.085 -0.095 1
1 646 . 18 1 1 A 56 56 LEU CA C 56 56.700 57.796 -1.096 1
1 647 . 18 1 1 A 56 56 LEU CB C 56 43.900 41.223 2.677 1
1 651 . 18 1 1 A 56 56 LEU N N 56 117.500 119.440 -1.940 1
1 652 . 18 1 1 A 57 57 SER H H 57 7.280 8.013 -0.733 1
1 653 . 18 1 1 A 57 57 SER HA H 57 4.290 4.157 0.133 1
1 656 . 18 1 1 A 57 57 SER CA C 57 61.100 61.080 0.020 1
1 657 . 18 1 1 A 57 57 SER CB C 57 64.000 62.738 1.262 1
1 658 . 18 1 1 A 57 57 SER N N 57 111.100 113.585 -2.485 1
1 659 . 18 1 1 A 58 58 ASP H H 58 7.030 7.954 -0.924 1
1 660 . 18 1 1 A 58 58 ASP HA H 58 4.650 4.291 0.359 1
1 663 . 18 1 1 A 58 58 ASP CA C 58 51.400 53.534 -2.134 1
1 664 . 18 1 1 A 58 58 ASP CB C 58 37.200 40.570 -3.370 1
1 665 . 18 1 1 A 58 58 ASP N N 58 115.600 119.707 -4.107 1
1 666 . 18 1 1 A 59 59 ILE H H 59 8.630 7.630 1.000 1
1 667 . 18 1 1 A 59 59 ILE HA H 59 3.260 3.565 -0.305 1
1 677 . 18 1 1 A 59 59 ILE CA C 59 62.900 65.327 -2.427 1
1 678 . 18 1 1 A 59 59 ILE CB C 59 36.600 37.810 -1.210 1
1 682 . 18 1 1 A 59 59 ILE N N 59 128.500 125.338 3.162 1
1 683 . 18 1 1 A 60 60 ASP H H 60 7.960 7.762 0.198 1
1 684 . 18 1 1 A 60 60 ASP HA H 60 4.480 4.781 -0.301 1
1 687 . 18 1 1 A 60 60 ASP CA C 60 52.300 52.858 -0.558 1
1 688 . 18 1 1 A 60 60 ASP CB C 60 39.100 40.776 -1.676 1
1 689 . 18 1 1 A 60 60 ASP N N 60 113.200 118.375 -5.175 1
1 690 . 18 1 1 A 61 61 GLN H H 61 7.550 7.908 -0.358 1
1 691 . 18 1 1 A 61 61 GLN HA H 61 3.800 3.966 -0.166 1
1 698 . 18 1 1 A 61 61 GLN CA C 61 57.100 56.900 0.200 1
1 699 . 18 1 1 A 61 61 GLN CB C 61 26.400 26.689 -0.289 1
1 701 . 18 1 1 A 61 61 GLN N N 61 113.800 116.293 -2.493 1
1 703 . 18 1 1 A 62 62 ASP H H 62 8.390 8.367 0.023 1
1 704 . 18 1 1 A 62 62 ASP HA H 62 4.720 4.674 0.046 1
1 707 . 18 1 1 A 62 62 ASP CA C 62 52.800 54.772 -1.972 1
1 708 . 18 1 1 A 62 62 ASP CB C 62 41.000 42.514 -1.514 1
1 709 . 18 1 1 A 62 62 ASP N N 62 117.700 120.425 -2.725 1
1 710 . 18 1 1 A 63 63 GLY H H 63 10.840 8.697 2.143 1
1 711 . 18 1 1 A 63 63 GLY HA2 H 63 4.310 4.147 0.163 1
1 712 . 18 1 1 A 63 63 GLY HA3 H 63 3.880 4.442 -0.562 1
1 713 . 18 1 1 A 63 63 GLY CA C 63 46.200 45.524 0.676 1
1 714 . 18 1 1 A 63 63 GLY N N 63 114.200 107.229 6.971 1
1 715 . 18 1 1 A 64 64 LYS H H 64 8.070 7.924 0.146 1
1 716 . 18 1 1 A 64 64 LYS HA H 64 5.030 4.913 0.117 1
1 725 . 18 1 1 A 64 64 LYS CA C 64 54.200 54.486 -0.286 1
1 726 . 18 1 1 A 64 64 LYS CB C 64 36.100 35.084 1.016 1
1 730 . 18 1 1 A 64 64 LYS N N 64 117.400 120.529 -3.129 1
1 731 . 18 1 1 A 65 65 LEU H H 65 8.990 9.045 -0.055 1
1 732 . 18 1 1 A 65 65 LEU HA H 65 5.750 5.065 0.685 1
1 742 . 18 1 1 A 65 65 LEU CA C 65 52.900 53.627 -0.727 1
1 743 . 18 1 1 A 65 65 LEU CB C 65 43.600 43.307 0.293 1
1 747 . 18 1 1 A 65 65 LEU N N 65 120.700 124.833 -4.133 1
1 748 . 18 1 1 A 66 66 THR H H 66 10.210 8.906 1.304 1
1 749 . 18 1 1 A 66 66 THR HA H 66 4.910 4.808 0.102 1
1 754 . 18 1 1 A 66 66 THR CA C 66 60.900 60.712 0.188 1
1 755 . 18 1 1 A 66 66 THR CB C 66 71.200 71.388 -0.188 1
1 757 . 18 1 1 A 66 66 THR N N 66 116.300 117.694 -1.394 1
1 758 . 18 1 1 A 67 67 ALA H H 67 8.350 8.596 -0.246 1
1 759 . 18 1 1 A 67 67 ALA HA H 67 2.620 3.471 -0.851 1
1 763 . 18 1 1 A 67 67 ALA CA C 67 56.200 54.904 1.296 1
1 764 . 18 1 1 A 67 67 ALA CB C 67 18.000 17.540 0.460 1
1 765 . 18 1 1 A 67 67 ALA N N 67 122.000 123.689 -1.689 1
1 766 . 18 1 1 A 68 68 GLU H H 68 8.160 8.161 -0.001 1
1 767 . 18 1 1 A 68 68 GLU HA H 68 4.180 4.135 0.045 1
1 772 . 18 1 1 A 68 68 GLU CA C 68 60.500 59.743 0.757 1
1 773 . 18 1 1 A 68 68 GLU CB C 68 30.500 29.358 1.142 1
1 775 . 18 1 1 A 68 68 GLU N N 68 112.200 118.106 -5.906 1
1 776 . 18 1 1 A 69 69 GLU H H 69 7.280 7.710 -0.430 1
1 777 . 18 1 1 A 69 69 GLU HA H 69 4.030 3.944 0.086 1
1 782 . 18 1 1 A 69 69 GLU CA C 69 60.100 58.990 1.110 1
1 783 . 18 1 1 A 69 69 GLU CB C 69 31.800 29.324 2.476 1
1 785 . 18 1 1 A 69 69 GLU N N 69 117.400 120.179 -2.779 1
1 786 . 18 1 1 A 70 70 PHE H H 70 8.940 8.531 0.409 1
1 787 . 18 1 1 A 70 70 PHE HA H 70 4.130 4.186 -0.056 1
1 795 . 18 1 1 A 70 70 PHE CA C 70 61.900 61.278 0.622 1
1 796 . 18 1 1 A 70 70 PHE CB C 70 39.900 39.457 0.443 1
1 800 . 18 1 1 A 70 70 PHE N N 70 119.000 121.892 -2.892 1
1 801 . 18 1 1 A 71 71 ILE H H 71 8.890 8.539 0.351 1
1 802 . 18 1 1 A 71 71 ILE HA H 71 3.380 3.827 -0.447 1
1 812 . 18 1 1 A 71 71 ILE CA C 71 65.800 65.515 0.285 1
1 813 . 18 1 1 A 71 71 ILE CB C 71 39.100 37.773 1.327 1
1 817 . 18 1 1 A 71 71 ILE N N 71 119.800 120.939 -1.139 1
1 818 . 18 1 1 A 72 72 LEU H H 72 7.810 8.061 -0.251 1
1 819 . 18 1 1 A 72 72 LEU HA H 72 4.040 4.163 -0.123 1
1 829 . 18 1 1 A 72 72 LEU CA C 72 58.300 58.119 0.181 1
1 830 . 18 1 1 A 72 72 LEU CB C 72 42.600 41.791 0.809 1
1 834 . 18 1 1 A 72 72 LEU N N 72 118.100 121.439 -3.339 1
1 835 . 18 1 1 A 73 73 ALA H H 73 8.340 8.640 -0.300 1
1 836 . 18 1 1 A 73 73 ALA HA H 73 3.820 4.030 -0.210 1
1 840 . 18 1 1 A 73 73 ALA CA C 73 55.600 55.356 0.244 1
1 841 . 18 1 1 A 73 73 ALA CB C 73 17.600 18.395 -0.795 1
1 842 . 18 1 1 A 73 73 ALA N N 73 122.000 120.989 1.011 1
1 843 . 18 1 1 A 74 74 MET H H 74 7.840 8.268 -0.428 1
1 844 . 18 1 1 A 74 74 MET HA H 74 3.830 3.892 -0.062 1
1 852 . 18 1 1 A 74 74 MET CA C 74 55.400 57.716 -2.316 1
1 853 . 18 1 1 A 74 74 MET CB C 74 27.800 30.951 -3.151 1
1 856 . 18 1 1 A 74 74 MET N N 74 113.400 116.763 -3.363 1
1 857 . 18 1 1 A 75 75 HIS H H 75 8.340 7.860 0.480 1
1 858 . 18 1 1 A 75 75 HIS HA H 75 4.510 4.311 0.199 1
1 863 . 18 1 1 A 75 75 HIS CA C 75 60.000 59.437 0.563 1
1 864 . 18 1 1 A 75 75 HIS CB C 75 31.400 29.670 1.730 1
1 867 . 18 1 1 A 75 75 HIS N N 75 120.200 121.214 -1.014 1
1 868 . 18 1 1 A 76 76 LEU H H 76 8.750 8.060 0.690 1
1 869 . 18 1 1 A 76 76 LEU HA H 76 3.670 3.748 -0.078 1
1 879 . 18 1 1 A 76 76 LEU CA C 76 57.700 57.700 0.000 1
1 880 . 18 1 1 A 76 76 LEU CB C 76 41.400 41.423 -0.023 1
1 884 . 18 1 1 A 76 76 LEU N N 76 118.600 119.332 -0.732 1
1 885 . 18 1 1 A 77 77 ILE H H 77 7.980 8.108 -0.128 1
1 886 . 18 1 1 A 77 77 ILE HA H 77 3.470 3.422 0.048 1
1 896 . 18 1 1 A 77 77 ILE CA C 77 66.000 64.943 1.057 1
1 897 . 18 1 1 A 77 77 ILE CB C 77 36.500 37.590 -1.090 1
1 901 . 18 1 1 A 77 77 ILE N N 77 120.900 119.877 1.023 1
1 902 . 18 1 1 A 78 78 ASP H H 78 7.490 8.232 -0.742 1
1 903 . 18 1 1 A 78 78 ASP HA H 78 4.300 4.268 0.032 1
1 906 . 18 1 1 A 78 78 ASP CA C 78 57.900 57.616 0.284 1
1 907 . 18 1 1 A 78 78 ASP CB C 78 39.000 42.002 -3.002 1
1 908 . 18 1 1 A 78 78 ASP N N 78 121.500 120.691 0.809 1
1 909 . 18 1 1 A 79 79 VAL H H 79 8.380 7.627 0.753 1
1 910 . 18 1 1 A 79 79 VAL HA H 79 3.390 3.452 -0.062 1
1 918 . 18 1 1 A 79 79 VAL CA C 79 66.400 66.292 0.108 1
1 919 . 18 1 1 A 79 79 VAL CB C 79 31.700 31.367 0.333 1
1 922 . 18 1 1 A 79 79 VAL N N 79 122.400 119.066 3.334 1
1 923 . 18 1 1 A 80 80 ALA H H 80 8.730 8.625 0.105 1
1 924 . 18 1 1 A 80 80 ALA HA H 80 4.360 4.028 0.332 1
1 928 . 18 1 1 A 80 80 ALA CA C 80 54.800 55.026 -0.226 1
1 929 . 18 1 1 A 80 80 ALA CB C 80 18.100 18.289 -0.189 1
1 930 . 18 1 1 A 80 80 ALA N N 80 125.200 121.915 3.285 1
1 931 . 18 1 1 A 81 81 MET H H 81 9.360 8.307 1.053 1
1 932 . 18 1 1 A 81 81 MET HA H 81 4.210 4.066 0.144 1
1 940 . 18 1 1 A 81 81 MET CA C 81 57.800 58.188 -0.388 1
1 941 . 18 1 1 A 81 81 MET CB C 81 31.800 32.306 -0.506 1
1 944 . 18 1 1 A 81 81 MET N N 81 119.600 118.663 0.937 1
1 945 . 18 1 1 A 82 82 SER H H 82 7.780 7.504 0.276 1
1 946 . 18 1 1 A 82 82 SER HA H 82 4.510 4.533 -0.023 1
1 949 . 18 1 1 A 82 82 SER CA C 82 59.500 58.297 1.203 1
1 950 . 18 1 1 A 82 82 SER CB C 82 64.000 63.644 0.356 1
1 951 . 18 1 1 A 82 82 SER N N 82 114.000 112.661 1.339 1
1 952 . 18 1 1 A 83 83 GLY H H 83 7.910 8.408 -0.498 1
1 953 . 18 1 1 A 83 83 GLY HA2 H 83 3.700 3.892 -0.192 1
1 954 . 18 1 1 A 83 83 GLY HA3 H 83 4.350 3.895 0.455 1
1 955 . 18 1 1 A 83 83 GLY CA C 83 44.900 45.706 -0.806 1
1 956 . 18 1 1 A 83 83 GLY N N 83 109.400 109.884 -0.484 1
1 957 . 18 1 1 A 84 84 GLN H H 84 7.100 7.864 -0.764 1
1 958 . 18 1 1 A 84 84 GLN HA H 84 4.530 4.539 -0.009 1
1 965 . 18 1 1 A 84 84 GLN CA C 84 53.100 53.098 0.002 1
1 966 . 18 1 1 A 84 84 GLN CB C 84 29.000 28.832 0.168 1
1 968 . 18 1 1 A 84 84 GLN N N 84 120.700 119.962 0.738 1
1 970 . 18 1 1 A 85 85 PRO HA H 85 4.360 4.709 -0.349 1
1 977 . 18 1 1 A 85 85 PRO CA C 85 61.800 62.509 -0.709 1
1 978 . 18 1 1 A 85 85 PRO CB C 85 31.800 32.535 -0.735 1
1 981 . 18 1 1 A 86 86 LEU H H 86 8.360 8.456 -0.096 1
1 982 . 18 1 1 A 86 86 LEU HA H 86 4.380 4.816 -0.436 1
1 992 . 18 1 1 A 86 86 LEU CA C 86 51.600 51.955 -0.355 1
1 993 . 18 1 1 A 86 86 LEU CB C 86 41.000 43.938 -2.938 1
1 997 . 18 1 1 A 86 86 LEU N N 86 121.700 122.397 -0.697 1
1 998 . 18 1 1 A 87 87 PRO HA H 87 4.740 4.608 0.132 1
1 1005 . 18 1 1 A 87 87 PRO CA C 87 60.800 61.703 -0.903 1
1 1006 . 18 1 1 A 87 87 PRO CB C 87 30.900 32.288 -1.388 1
1 1009 . 18 1 1 A 88 88 PRO HA H 88 4.330 4.338 -0.008 1
1 1016 . 18 1 1 A 88 88 PRO CA C 88 63.900 64.777 -0.877 1
1 1017 . 18 1 1 A 88 88 PRO CB C 88 31.700 32.309 -0.609 1
1 1020 . 18 1 1 A 89 89 VAL H H 89 6.840 7.093 -0.253 1
1 1021 . 18 1 1 A 89 89 VAL HA H 89 4.030 4.655 -0.625 1
1 1029 . 18 1 1 A 89 89 VAL CA C 89 59.300 59.053 0.247 1
1 1030 . 18 1 1 A 89 89 VAL CB C 89 35.500 35.711 -0.211 1
1 1033 . 18 1 1 A 89 89 VAL N N 89 112.700 109.594 3.106 1
1 1034 . 18 1 1 A 90 90 LEU H H 90 8.990 8.568 0.422 1
1 1035 . 18 1 1 A 90 90 LEU HA H 90 4.150 4.841 -0.691 1
1 1045 . 18 1 1 A 90 90 LEU CA C 90 53.500 51.675 1.825 1
1 1046 . 18 1 1 A 90 90 LEU CB C 90 42.200 44.535 -2.335 1
1 1050 . 18 1 1 A 90 90 LEU N N 90 127.800 125.012 2.788 1
1 1051 . 18 1 1 A 91 91 PRO HA H 91 4.830 4.707 0.123 1
1 1058 . 18 1 1 A 91 91 PRO CA C 91 61.100 61.782 -0.682 1
1 1059 . 18 1 1 A 91 91 PRO CB C 91 31.300 32.426 -1.126 1
1 1062 . 18 1 1 A 92 92 PRO HA H 92 4.230 4.186 0.044 1
1 1069 . 18 1 1 A 92 92 PRO CA C 92 65.100 65.677 -0.577 1
1 1070 . 18 1 1 A 92 92 PRO CB C 92 31.800 32.164 -0.364 1
1 1073 . 18 1 1 A 93 93 GLU H H 93 10.180 9.123 1.057 1
1 1074 . 18 1 1 A 93 93 GLU HA H 93 4.300 4.255 0.045 1
1 1079 . 18 1 1 A 93 93 GLU CA C 93 58.700 57.906 0.794 1
1 1080 . 18 1 1 A 93 93 GLU CB C 93 27.500 28.415 -0.915 1
1 1082 . 18 1 1 A 93 93 GLU N N 93 116.400 116.016 0.384 1
1 1083 . 18 1 1 A 94 94 TYR H H 94 8.510 7.901 0.609 1
1 1084 . 18 1 1 A 94 94 TYR HA H 94 4.510 4.683 -0.173 1
1 1091 . 18 1 1 A 94 94 TYR CA C 94 60.100 59.269 0.831 1
1 1092 . 18 1 1 A 94 94 TYR CB C 94 39.600 38.641 0.959 1
1 1095 . 18 1 1 A 94 94 TYR N N 94 119.400 118.150 1.250 1
1 1096 . 18 1 1 A 95 95 ILE H H 95 7.800 7.622 0.178 1
1 1097 . 18 1 1 A 95 95 ILE HA H 95 3.940 4.292 -0.352 1
1 1107 . 18 1 1 A 95 95 ILE CA C 95 60.200 59.457 0.743 1
1 1108 . 18 1 1 A 95 95 ILE CB C 95 37.800 38.159 -0.359 1
1 1112 . 18 1 1 A 95 95 ILE N N 95 124.500 122.300 2.200 1
1 1113 . 18 1 1 A 96 96 PRO HA H 96 2.770 3.274 -0.504 1
1 1120 . 18 1 1 A 96 96 PRO CA C 96 60.700 60.960 -0.260 1
1 1121 . 18 1 1 A 96 96 PRO CB C 96 31.400 31.195 0.205 1
1 1124 . 18 1 1 A 97 97 PRO HA H 97 3.680 4.036 -0.356 1
1 1131 . 18 1 1 A 97 97 PRO CA C 97 65.900 63.483 2.417 1
1 1132 . 18 1 1 A 97 97 PRO CB C 97 32.100 32.000 0.100 1
1 1135 . 18 1 1 A 98 98 SER H H 98 9.160 8.556 0.604 1
1 1136 . 18 1 1 A 98 98 SER HA H 98 3.980 3.949 0.031 1
1 1139 . 18 1 1 A 98 98 SER CA C 98 60.900 60.482 0.418 1
1 1140 . 18 1 1 A 98 98 SER CB C 98 62.200 60.685 1.515 1
1 1141 . 18 1 1 A 98 98 SER N N 98 112.400 111.966 0.434 1
1 1142 . 18 1 1 A 99 99 PHE H H 99 7.950 8.026 -0.076 1
1 1143 . 18 1 1 A 99 99 PHE HA H 99 4.470 4.320 0.150 1
1 1151 . 18 1 1 A 99 99 PHE CA C 99 58.500 61.205 -2.705 1
1 1152 . 18 1 1 A 99 99 PHE CB C 99 40.100 39.021 1.079 1
1 1156 . 18 1 1 A 99 99 PHE N N 99 118.800 118.021 0.779 1
1 1157 . 18 1 1 A 100 100 ARG H H 100 7.350 8.040 -0.690 1
1 1158 . 18 1 1 A 100 100 ARG HA H 100 4.270 4.200 0.070 1
1 1165 . 18 1 1 A 100 100 ARG CA C 100 56.600 58.747 -2.147 1
1 1166 . 18 1 1 A 100 100 ARG CB C 100 30.300 30.612 -0.312 1
1 1169 . 18 1 1 A 100 100 ARG N N 100 120.200 118.419 1.781 1
1 1170 . 18 1 1 A 101 101 ARG H H 101 8.180 7.559 0.621 1
1 1171 . 18 1 1 A 101 101 ARG HA H 101 4.270 4.918 -0.648 1
1 1177 . 18 1 1 A 101 101 ARG CA C 101 56.700 54.734 1.966 1
1 1178 . 18 1 1 A 101 101 ARG CB C 101 30.700 31.695 -0.995 1
1 1181 . 18 1 1 A 101 101 ARG N N 101 121.100 120.772 0.328 1
1 1182 . 18 1 1 A 102 102 VAL H H 102 8.160 8.823 -0.663 1
1 1183 . 18 1 1 A 102 102 VAL HA H 102 4.080 4.366 -0.286 1
1 1191 . 18 1 1 A 102 102 VAL CA C 102 62.500 60.461 2.039 1
1 1192 . 18 1 1 A 102 102 VAL CB C 102 32.700 34.836 -2.136 1
1 1195 . 18 1 1 A 102 102 VAL N N 102 121.500 125.204 -3.704 1
1 1196 . 18 1 1 A 103 103 ARG H H 103 7.920 8.672 -0.752 1
1 1197 . 18 1 1 A 103 103 ARG HA H 103 4.160 3.875 0.285 1
1 1204 . 18 1 1 A 103 103 ARG CA C 103 57.300 56.887 0.413 1
1 1205 . 18 1 1 A 103 103 ARG CB C 103 31.600 28.608 2.992 1
1 1208 . 18 1 1 A 103 103 ARG N N 103 129.400 125.293 4.107 1
1 1209 . 18 1 1 A 104 104 LEU H H 104 8.190 8.132 0.058 1
1 1210 . 18 1 1 A 104 104 LEU N N 104 122.800 121.169 1.631 1
1 1211 . 18 1 1 A 105 105 GLU H H 105 8.220 8.672 -0.452 1
1 8 . 19 1 1 A 2 2 PRO HA H 2 4.430 4.742 -0.312 1
1 15 . 19 1 1 A 2 2 PRO CA C 2 62.800 62.380 0.420 1
1 16 . 19 1 1 A 2 2 PRO CB C 2 31.900 31.212 0.688 1
1 19 . 19 1 1 A 3 3 VAL H H 3 8.130 8.577 -0.447 1
1 20 . 19 1 1 A 3 3 VAL HA H 3 4.030 4.308 -0.278 1
1 28 . 19 1 1 A 3 3 VAL CA C 3 62.200 62.023 0.177 1
1 29 . 19 1 1 A 3 3 VAL CB C 3 32.700 30.392 2.308 1
1 32 . 19 1 1 A 3 3 VAL N N 3 120.100 124.329 -4.229 1
1 33 . 19 1 1 A 4 4 ALA H H 4 8.330 8.077 0.253 1
1 34 . 19 1 1 A 4 4 ALA HA H 4 4.310 4.570 -0.260 1
1 38 . 19 1 1 A 4 4 ALA CA C 4 52.100 51.691 0.409 1
1 39 . 19 1 1 A 4 4 ALA CB C 4 19.400 21.429 -2.029 1
1 40 . 19 1 1 A 4 4 ALA N N 4 127.300 129.576 -2.276 1
1 41 . 19 1 1 A 5 5 GLU H H 5 8.290 9.368 -1.078 1
1 42 . 19 1 1 A 5 5 GLU HA H 5 4.290 3.961 0.329 1
1 47 . 19 1 1 A 5 5 GLU CA C 5 56.100 57.489 -1.389 1
1 48 . 19 1 1 A 5 5 GLU CB C 5 30.500 28.690 1.810 1
1 50 . 19 1 1 A 5 5 GLU N N 5 121.000 124.128 -3.128 1
1 51 . 19 1 1 A 6 6 TRP H H 6 8.670 8.461 0.209 1
1 52 . 19 1 1 A 6 6 TRP HA H 6 5.020 4.743 0.277 1
1 61 . 19 1 1 A 6 6 TRP CA C 6 54.500 57.908 -3.408 1
1 62 . 19 1 1 A 6 6 TRP CB C 6 30.100 27.870 2.230 1
1 68 . 19 1 1 A 6 6 TRP N N 6 124.900 123.051 1.849 1
1 70 . 19 1 1 A 7 7 ALA H H 7 7.850 9.019 -1.169 1
1 71 . 19 1 1 A 7 7 ALA HA H 7 3.790 4.200 -0.410 1
1 75 . 19 1 1 A 7 7 ALA CA C 7 53.200 52.163 1.037 1
1 76 . 19 1 1 A 7 7 ALA CB C 7 18.000 17.555 0.445 1
1 77 . 19 1 1 A 7 7 ALA N N 7 128.000 128.632 -0.632 1
1 78 . 19 1 1 A 8 8 VAL H H 8 5.280 7.280 -2.000 1
1 79 . 19 1 1 A 8 8 VAL HA H 8 2.850 4.155 -1.305 1
1 87 . 19 1 1 A 8 8 VAL CA C 8 59.700 57.956 1.744 1
1 88 . 19 1 1 A 8 8 VAL CB C 8 31.600 33.932 -2.332 1
1 91 . 19 1 1 A 8 8 VAL N N 8 117.000 118.529 -1.529 1
1 92 . 19 1 1 A 9 9 PRO HA H 9 4.340 4.414 -0.074 1
1 99 . 19 1 1 A 9 9 PRO CA C 9 62.800 63.030 -0.230 1
1 100 . 19 1 1 A 9 9 PRO CB C 9 32.400 32.607 -0.207 1
1 103 . 19 1 1 A 10 10 GLN HA H 10 3.710 3.921 -0.211 1
1 110 . 19 1 1 A 10 10 GLN CA C 10 60.100 59.134 0.966 1
1 111 . 19 1 1 A 10 10 GLN CB C 10 28.000 28.323 -0.323 1
1 114 . 19 1 1 A 11 11 SER HA H 11 4.070 4.170 -0.100 1
1 117 . 19 1 1 A 11 11 SER CA C 11 61.400 61.602 -0.202 1
1 118 . 19 1 1 A 11 11 SER CB C 11 61.400 62.229 -0.829 1
1 119 . 19 1 1 A 12 12 SER H H 12 7.070 7.861 -0.791 1
1 120 . 19 1 1 A 12 12 SER HA H 12 3.990 3.995 -0.005 1
1 123 . 19 1 1 A 12 12 SER CA C 12 61.500 61.207 0.293 1
1 124 . 19 1 1 A 12 12 SER CB C 12 61.500 62.847 -1.347 1
1 125 . 19 1 1 A 12 12 SER N N 12 119.300 117.293 2.007 1
1 126 . 19 1 1 A 13 13 ARG H H 13 8.000 8.267 -0.267 1
1 127 . 19 1 1 A 13 13 ARG HA H 13 3.930 4.162 -0.232 1
1 134 . 19 1 1 A 13 13 ARG CA C 13 59.800 58.941 0.859 1
1 135 . 19 1 1 A 13 13 ARG CB C 13 30.300 29.628 0.672 1
1 138 . 19 1 1 A 13 13 ARG N N 13 121.600 119.332 2.268 1
1 139 . 19 1 1 A 14 14 LEU H H 14 7.710 8.408 -0.698 1
1 140 . 19 1 1 A 14 14 LEU HA H 14 4.120 3.969 0.151 1
1 150 . 19 1 1 A 14 14 LEU CA C 14 57.900 58.031 -0.131 1
1 151 . 19 1 1 A 14 14 LEU CB C 14 41.900 41.575 0.325 1
1 155 . 19 1 1 A 14 14 LEU N N 14 117.100 121.174 -4.074 1
1 156 . 19 1 1 A 15 15 LYS H H 15 7.450 7.662 -0.212 1
1 157 . 19 1 1 A 15 15 LYS HA H 15 4.050 3.922 0.128 1
1 166 . 19 1 1 A 15 15 LYS CA C 15 59.100 59.121 -0.021 1
1 167 . 19 1 1 A 15 15 LYS CB C 15 33.000 31.972 1.028 1
1 171 . 19 1 1 A 15 15 LYS N N 15 118.800 120.455 -1.655 1
1 172 . 19 1 1 A 16 16 TYR H H 16 8.640 7.102 1.538 1
1 173 . 19 1 1 A 16 16 TYR HA H 16 5.130 4.627 0.503 1
1 180 . 19 1 1 A 16 16 TYR CA C 16 58.900 61.098 -2.198 1
1 181 . 19 1 1 A 16 16 TYR CB C 16 37.100 38.156 -1.056 1
1 184 . 19 1 1 A 16 16 TYR N N 16 117.800 118.376 -0.576 1
1 185 . 19 1 1 A 17 17 ARG H H 17 8.470 8.701 -0.231 1
1 186 . 19 1 1 A 17 17 ARG HA H 17 4.230 4.110 0.120 1
1 193 . 19 1 1 A 17 17 ARG CA C 17 59.700 59.115 0.585 1
1 194 . 19 1 1 A 17 17 ARG CB C 17 29.800 29.613 0.187 1
1 197 . 19 1 1 A 17 17 ARG N N 17 124.000 122.431 1.569 1
1 198 . 19 1 1 A 18 18 GLN H H 18 7.740 7.943 -0.203 1
1 199 . 19 1 1 A 18 18 GLN HA H 18 4.190 4.309 -0.119 1
1 206 . 19 1 1 A 18 18 GLN CA C 18 59.300 57.516 1.784 1
1 207 . 19 1 1 A 18 18 GLN CB C 18 27.900 28.871 -0.971 1
1 209 . 19 1 1 A 18 18 GLN N N 18 118.000 116.596 1.404 1
1 211 . 19 1 1 A 19 19 LEU H H 19 7.770 7.818 -0.048 1
1 212 . 19 1 1 A 19 19 LEU HA H 19 4.400 4.692 -0.292 1
1 222 . 19 1 1 A 19 19 LEU CA C 19 58.000 54.106 3.894 1
1 223 . 19 1 1 A 19 19 LEU CB C 19 42.800 43.311 -0.511 1
1 227 . 19 1 1 A 19 19 LEU N N 19 120.500 121.841 -1.341 1
1 228 . 19 1 1 A 20 20 PHE H H 20 8.710 7.712 0.998 1
1 229 . 19 1 1 A 20 20 PHE HA H 20 3.330 3.728 -0.398 1
1 237 . 19 1 1 A 20 20 PHE CA C 20 62.400 62.132 0.268 1
1 238 . 19 1 1 A 20 20 PHE CB C 20 38.500 39.136 -0.636 1
1 242 . 19 1 1 A 20 20 PHE N N 20 121.900 121.551 0.349 1
1 243 . 19 1 1 A 21 21 ASN H H 21 8.770 8.910 -0.140 1
1 244 . 19 1 1 A 21 21 ASN HA H 21 4.380 4.574 -0.194 1
1 249 . 19 1 1 A 21 21 ASN CA C 21 55.400 56.580 -1.180 1
1 250 . 19 1 1 A 21 21 ASN CB C 21 37.600 39.465 -1.865 1
1 251 . 19 1 1 A 21 21 ASN N N 21 117.300 117.619 -0.319 1
1 253 . 19 1 1 A 22 22 SER H H 22 7.900 8.818 -0.918 1
1 254 . 19 1 1 A 22 22 SER HA H 22 4.180 4.237 -0.057 1
1 257 . 19 1 1 A 22 22 SER CA C 22 60.700 61.531 -0.831 1
1 258 . 19 1 1 A 22 22 SER CB C 22 62.900 63.211 -0.311 1
1 259 . 19 1 1 A 22 22 SER N N 22 114.800 116.312 -1.512 1
1 260 . 19 1 1 A 23 23 HIS H H 23 7.310 8.063 -0.753 1
1 261 . 19 1 1 A 23 23 HIS HA H 23 4.480 4.466 0.014 1
1 266 . 19 1 1 A 23 23 HIS CA C 23 58.000 57.034 0.966 1
1 267 . 19 1 1 A 23 23 HIS CB C 23 32.400 29.816 2.584 1
1 270 . 19 1 1 A 23 23 HIS N N 23 118.900 116.820 2.080 1
1 271 . 19 1 1 A 24 24 ASP H H 24 7.870 7.396 0.474 1
1 272 . 19 1 1 A 24 24 ASP HA H 24 4.850 4.127 0.723 1
1 275 . 19 1 1 A 24 24 ASP CA C 24 52.100 54.568 -2.468 1
1 276 . 19 1 1 A 24 24 ASP CB C 24 38.500 41.215 -2.715 1
1 277 . 19 1 1 A 24 24 ASP N N 24 122.400 121.528 0.872 1
1 278 . 19 1 1 A 25 25 LYS H H 25 7.900 8.612 -0.712 1
1 279 . 19 1 1 A 25 25 LYS HA H 25 4.070 4.595 -0.525 1
1 288 . 19 1 1 A 25 25 LYS CA C 25 58.600 55.741 2.859 1
1 289 . 19 1 1 A 25 25 LYS CB C 25 32.600 33.369 -0.769 1
1 293 . 19 1 1 A 25 25 LYS N N 25 122.400 121.416 0.984 1
1 294 . 19 1 1 A 26 26 THR H H 26 8.120 7.443 0.677 1
1 295 . 19 1 1 A 26 26 THR HA H 26 4.340 5.089 -0.749 1
1 300 . 19 1 1 A 26 26 THR CA C 26 61.000 60.335 0.665 1
1 301 . 19 1 1 A 26 26 THR CB C 26 69.100 71.692 -2.592 1
1 303 . 19 1 1 A 26 26 THR N N 26 106.400 109.922 -3.522 1
1 304 . 19 1 1 A 27 27 MET H H 27 8.030 8.674 -0.644 1
1 305 . 19 1 1 A 27 27 MET HA H 27 3.980 4.116 -0.136 1
1 310 . 19 1 1 A 27 27 MET CA C 27 56.600 56.191 0.409 1
1 311 . 19 1 1 A 27 27 MET CB C 27 29.100 32.740 -3.640 1
1 313 . 19 1 1 A 27 27 MET N N 27 119.600 125.149 -5.549 1
1 314 . 19 1 1 A 28 28 SER H H 28 9.520 8.597 0.923 1
1 315 . 19 1 1 A 28 28 SER HA H 28 4.250 4.096 0.154 1
1 318 . 19 1 1 A 28 28 SER CA C 28 60.500 59.056 1.444 1
1 319 . 19 1 1 A 28 28 SER CB C 28 64.400 61.645 2.755 1
1 320 . 19 1 1 A 28 28 SER N N 28 118.600 117.138 1.462 1
1 321 . 19 1 1 A 29 29 GLY H H 29 10.710 8.599 2.111 1
1 322 . 19 1 1 A 29 29 GLY HA2 H 29 4.380 3.882 0.498 1
1 323 . 19 1 1 A 29 29 GLY HA3 H 29 3.690 3.960 -0.270 1
1 324 . 19 1 1 A 29 29 GLY CA C 29 45.200 46.833 -1.633 1
1 325 . 19 1 1 A 29 29 GLY N N 29 113.800 113.199 0.601 1
1 326 . 19 1 1 A 30 30 HIS H H 30 7.870 8.536 -0.666 1
1 327 . 19 1 1 A 30 30 HIS HA H 30 5.520 5.413 0.107 1
1 332 . 19 1 1 A 30 30 HIS CA C 30 55.800 54.727 1.073 1
1 333 . 19 1 1 A 30 30 HIS CB C 30 32.800 32.075 0.725 1
1 336 . 19 1 1 A 30 30 HIS N N 30 115.700 115.387 0.313 1
1 337 . 19 1 1 A 31 31 LEU H H 31 9.140 9.435 -0.295 1
1 338 . 19 1 1 A 31 31 LEU HA H 31 4.840 4.568 0.272 1
1 348 . 19 1 1 A 31 31 LEU CA C 31 52.900 54.484 -1.584 1
1 349 . 19 1 1 A 31 31 LEU CB C 31 44.200 42.723 1.477 1
1 353 . 19 1 1 A 31 31 LEU N N 31 117.200 123.404 -6.204 1
1 354 . 19 1 1 A 32 32 THR H H 32 8.680 8.430 0.250 1
1 355 . 19 1 1 A 32 32 THR HA H 32 4.340 4.762 -0.422 1
1 360 . 19 1 1 A 32 32 THR CA C 32 61.500 60.415 1.085 1
1 361 . 19 1 1 A 32 32 THR CB C 32 70.200 71.326 -1.126 1
1 363 . 19 1 1 A 32 32 THR N N 32 113.400 115.447 -2.047 1
1 364 . 19 1 1 A 33 33 GLY H H 33 9.090 8.930 0.160 1
1 365 . 19 1 1 A 33 33 GLY HA2 H 33 3.970 3.877 0.093 1
1 366 . 19 1 1 A 33 33 GLY HA3 H 33 4.070 4.144 -0.074 1
1 367 . 19 1 1 A 33 33 GLY CA C 33 49.300 48.332 0.968 1
1 368 . 19 1 1 A 33 33 GLY N N 33 108.000 109.508 -1.508 1
1 369 . 19 1 1 A 34 34 PRO HA H 34 4.110 4.203 -0.093 1
1 376 . 19 1 1 A 34 34 PRO CA C 34 65.400 65.593 -0.193 1
1 377 . 19 1 1 A 34 34 PRO CB C 34 32.200 31.099 1.101 1
1 380 . 19 1 1 A 35 35 GLN H H 35 7.240 8.226 -0.986 1
1 381 . 19 1 1 A 35 35 GLN HA H 35 4.040 4.061 -0.021 1
1 388 . 19 1 1 A 35 35 GLN CA C 35 58.200 59.315 -1.115 1
1 389 . 19 1 1 A 35 35 GLN CB C 35 29.800 28.379 1.421 1
1 391 . 19 1 1 A 35 35 GLN N N 35 116.700 117.569 -0.869 1
1 393 . 19 1 1 A 36 36 ALA H H 36 9.180 8.522 0.658 1
1 394 . 19 1 1 A 36 36 ALA HA H 36 4.080 4.343 -0.263 1
1 398 . 19 1 1 A 36 36 ALA CA C 36 54.900 55.541 -0.641 1
1 399 . 19 1 1 A 36 36 ALA CB C 36 18.900 18.403 0.497 1
1 400 . 19 1 1 A 36 36 ALA N N 36 120.000 122.304 -2.304 1
1 401 . 19 1 1 A 37 37 ARG H H 37 9.060 8.632 0.428 1
1 402 . 19 1 1 A 37 37 ARG HA H 37 3.860 4.066 -0.206 1
1 409 . 19 1 1 A 37 37 ARG CA C 37 61.000 59.649 1.351 1
1 410 . 19 1 1 A 37 37 ARG CB C 37 29.900 30.068 -0.168 1
1 413 . 19 1 1 A 37 37 ARG N N 37 117.200 117.486 -0.286 1
1 414 . 19 1 1 A 38 38 THR H H 38 7.620 8.102 -0.482 1
1 415 . 19 1 1 A 38 38 THR HA H 38 3.920 3.987 -0.067 1
1 420 . 19 1 1 A 38 38 THR CA C 38 66.900 66.889 0.011 1
1 421 . 19 1 1 A 38 38 THR CB C 38 68.800 67.874 0.926 1
1 423 . 19 1 1 A 38 38 THR N N 38 114.600 118.585 -3.985 1
1 424 . 19 1 1 A 39 39 ILE H H 39 7.180 7.517 -0.337 1
1 425 . 19 1 1 A 39 39 ILE HA H 39 3.730 3.792 -0.062 1
1 435 . 19 1 1 A 39 39 ILE CA C 39 64.900 64.064 0.836 1
1 436 . 19 1 1 A 39 39 ILE CB C 39 39.000 37.827 1.173 1
1 440 . 19 1 1 A 39 39 ILE N N 39 121.500 121.537 -0.037 1
1 441 . 19 1 1 A 40 40 LEU H H 40 8.480 8.575 -0.095 1
1 442 . 19 1 1 A 40 40 LEU HA H 40 3.870 3.828 0.042 1
1 452 . 19 1 1 A 40 40 LEU CA C 40 58.500 57.931 0.569 1
1 453 . 19 1 1 A 40 40 LEU CB C 40 40.800 41.202 -0.402 1
1 457 . 19 1 1 A 40 40 LEU N N 40 119.900 119.966 -0.066 1
1 458 . 19 1 1 A 41 41 MET H H 41 8.160 8.665 -0.505 1
1 459 . 19 1 1 A 41 41 MET HA H 41 4.200 4.212 -0.012 1
1 464 . 19 1 1 A 41 41 MET CA C 41 57.700 57.605 0.095 1
1 465 . 19 1 1 A 41 41 MET CB C 41 32.500 32.034 0.466 1
1 467 . 19 1 1 A 41 41 MET N N 41 115.300 117.465 -2.165 1
1 468 . 19 1 1 A 42 42 GLN H H 42 7.600 7.722 -0.122 1
1 469 . 19 1 1 A 42 42 GLN HA H 42 4.230 4.269 -0.039 1
1 476 . 19 1 1 A 42 42 GLN CA C 42 57.200 58.106 -0.906 1
1 477 . 19 1 1 A 42 42 GLN CB C 42 27.900 28.127 -0.227 1
1 479 . 19 1 1 A 42 42 GLN N N 42 118.900 118.627 0.273 1
1 481 . 19 1 1 A 43 43 SER H H 43 7.670 7.552 0.118 1
1 482 . 19 1 1 A 43 43 SER HA H 43 4.300 4.368 -0.068 1
1 485 . 19 1 1 A 43 43 SER CA C 43 59.800 58.690 1.110 1
1 486 . 19 1 1 A 43 43 SER CB C 43 65.200 63.881 1.319 1
1 487 . 19 1 1 A 43 43 SER N N 43 113.900 113.434 0.466 1
1 488 . 19 1 1 A 44 44 SER H H 44 8.040 7.824 0.216 1
1 489 . 19 1 1 A 44 44 SER HA H 44 4.300 4.146 0.154 1
1 492 . 19 1 1 A 44 44 SER CA C 44 59.400 59.614 -0.214 1
1 493 . 19 1 1 A 44 44 SER CB C 44 62.500 61.248 1.252 1
1 494 . 19 1 1 A 44 44 SER N N 44 113.500 113.195 0.305 1
1 495 . 19 1 1 A 45 45 LEU H H 45 7.430 7.365 0.065 1
1 496 . 19 1 1 A 45 45 LEU HA H 45 4.470 4.587 -0.117 1
1 506 . 19 1 1 A 45 45 LEU CA C 45 53.300 52.239 1.061 1
1 507 . 19 1 1 A 45 45 LEU CB C 45 41.700 42.037 -0.337 1
1 511 . 19 1 1 A 45 45 LEU N N 45 121.900 121.735 0.165 1
1 512 . 19 1 1 A 46 46 PRO HA H 46 4.460 4.547 -0.087 1
1 519 . 19 1 1 A 46 46 PRO CA C 46 62.500 62.854 -0.354 1
1 520 . 19 1 1 A 46 46 PRO CB C 46 32.500 32.699 -0.199 1
1 523 . 19 1 1 A 47 47 GLN H H 47 8.820 8.593 0.227 1
1 524 . 19 1 1 A 47 47 GLN HA H 47 3.870 3.928 -0.058 1
1 531 . 19 1 1 A 47 47 GLN CA C 47 59.600 58.251 1.349 1
1 532 . 19 1 1 A 47 47 GLN CB C 47 28.100 28.070 0.030 1
1 534 . 19 1 1 A 47 47 GLN N N 47 123.400 121.950 1.450 1
1 536 . 19 1 1 A 48 48 ALA H H 48 9.000 8.397 0.603 1
1 537 . 19 1 1 A 48 48 ALA HA H 48 4.150 4.030 0.120 1
1 541 . 19 1 1 A 48 48 ALA CA C 48 55.200 54.924 0.276 1
1 542 . 19 1 1 A 48 48 ALA CB C 48 18.200 18.195 0.005 1
1 543 . 19 1 1 A 48 48 ALA N N 48 119.800 123.329 -3.529 1
1 544 . 19 1 1 A 49 49 GLN H H 49 7.190 7.612 -0.422 1
1 545 . 19 1 1 A 49 49 GLN HA H 49 4.230 4.056 0.174 1
1 552 . 19 1 1 A 49 49 GLN CA C 49 58.600 58.747 -0.147 1
1 553 . 19 1 1 A 49 49 GLN CB C 49 29.400 28.428 0.972 1
1 555 . 19 1 1 A 49 49 GLN N N 49 115.800 118.239 -2.439 1
1 557 . 19 1 1 A 50 50 LEU H H 50 7.800 8.240 -0.440 1
1 558 . 19 1 1 A 50 50 LEU HA H 50 3.930 4.006 -0.076 1
1 568 . 19 1 1 A 50 50 LEU CA C 50 57.900 57.956 -0.056 1
1 569 . 19 1 1 A 50 50 LEU CB C 50 41.100 41.329 -0.229 1
1 573 . 19 1 1 A 50 50 LEU N N 50 119.800 120.002 -0.202 1
1 574 . 19 1 1 A 51 51 ALA H H 51 8.410 8.705 -0.295 1
1 575 . 19 1 1 A 51 51 ALA HA H 51 4.210 4.089 0.121 1
1 579 . 19 1 1 A 51 51 ALA CA C 51 55.100 55.320 -0.220 1
1 580 . 19 1 1 A 51 51 ALA CB C 51 17.500 17.944 -0.444 1
1 581 . 19 1 1 A 51 51 ALA N N 51 122.600 122.975 -0.375 1
1 582 . 19 1 1 A 52 52 SER H H 52 7.530 7.483 0.047 1
1 583 . 19 1 1 A 52 52 SER HA H 52 4.310 4.238 0.072 1
1 586 . 19 1 1 A 52 52 SER CA C 52 62.200 61.549 0.651 1
1 587 . 19 1 1 A 52 52 SER CB C 52 62.600 62.994 -0.394 1
1 588 . 19 1 1 A 52 52 SER N N 52 115.300 113.454 1.846 1
1 589 . 19 1 1 A 53 53 ILE H H 53 8.270 8.041 0.229 1
1 590 . 19 1 1 A 53 53 ILE HA H 53 3.430 3.676 -0.246 1
1 600 . 19 1 1 A 53 53 ILE CA C 53 66.300 65.170 1.130 1
1 601 . 19 1 1 A 53 53 ILE CB C 53 37.900 37.572 0.328 1
1 605 . 19 1 1 A 53 53 ILE N N 53 122.000 121.350 0.650 1
1 606 . 19 1 1 A 54 54 TRP H H 54 8.480 8.647 -0.167 1
1 607 . 19 1 1 A 54 54 TRP HA H 54 3.720 4.071 -0.351 1
1 616 . 19 1 1 A 54 54 TRP CA C 54 61.400 60.730 0.670 1
1 617 . 19 1 1 A 54 54 TRP CB C 54 28.100 29.368 -1.268 1
1 623 . 19 1 1 A 54 54 TRP N N 54 122.100 122.244 -0.144 1
1 625 . 19 1 1 A 55 55 ASN H H 55 7.860 8.427 -0.567 1
1 626 . 19 1 1 A 55 55 ASN HA H 55 4.350 4.496 -0.146 1
1 631 . 19 1 1 A 55 55 ASN CA C 55 55.900 56.359 -0.459 1
1 632 . 19 1 1 A 55 55 ASN CB C 55 38.500 39.987 -1.487 1
1 633 . 19 1 1 A 55 55 ASN N N 55 113.900 118.107 -4.207 1
1 635 . 19 1 1 A 56 56 LEU H H 56 8.020 8.044 -0.024 1
1 636 . 19 1 1 A 56 56 LEU HA H 56 3.990 4.071 -0.081 1
1 646 . 19 1 1 A 56 56 LEU CA C 56 56.700 57.685 -0.985 1
1 647 . 19 1 1 A 56 56 LEU CB C 56 43.900 41.468 2.432 1
1 651 . 19 1 1 A 56 56 LEU N N 56 117.500 119.349 -1.849 1
1 652 . 19 1 1 A 57 57 SER H H 57 7.280 7.590 -0.310 1
1 653 . 19 1 1 A 57 57 SER HA H 57 4.290 4.182 0.108 1
1 656 . 19 1 1 A 57 57 SER CA C 57 61.100 61.080 0.020 1
1 657 . 19 1 1 A 57 57 SER CB C 57 64.000 62.789 1.211 1
1 658 . 19 1 1 A 57 57 SER N N 57 111.100 112.699 -1.599 1
1 659 . 19 1 1 A 58 58 ASP H H 58 7.030 7.747 -0.717 1
1 660 . 19 1 1 A 58 58 ASP HA H 58 4.650 4.203 0.447 1
1 663 . 19 1 1 A 58 58 ASP CA C 58 51.400 53.887 -2.487 1
1 664 . 19 1 1 A 58 58 ASP CB C 58 37.200 40.697 -3.497 1
1 665 . 19 1 1 A 58 58 ASP N N 58 115.600 120.011 -4.411 1
1 666 . 19 1 1 A 59 59 ILE H H 59 8.630 7.687 0.943 1
1 667 . 19 1 1 A 59 59 ILE HA H 59 3.260 3.988 -0.728 1
1 677 . 19 1 1 A 59 59 ILE CA C 59 62.900 62.276 0.624 1
1 678 . 19 1 1 A 59 59 ILE CB C 59 36.600 37.941 -1.341 1
1 682 . 19 1 1 A 59 59 ILE N N 59 128.500 125.841 2.659 1
1 683 . 19 1 1 A 60 60 ASP H H 60 7.960 7.434 0.526 1
1 684 . 19 1 1 A 60 60 ASP HA H 60 4.480 4.703 -0.223 1
1 687 . 19 1 1 A 60 60 ASP CA C 60 52.300 53.923 -1.623 1
1 688 . 19 1 1 A 60 60 ASP CB C 60 39.100 41.548 -2.448 1
1 689 . 19 1 1 A 60 60 ASP N N 60 113.200 120.960 -7.760 1
1 690 . 19 1 1 A 61 61 GLN H H 61 7.550 8.136 -0.586 1
1 691 . 19 1 1 A 61 61 GLN HA H 61 3.800 4.109 -0.309 1
1 698 . 19 1 1 A 61 61 GLN CA C 61 57.100 56.762 0.338 1
1 699 . 19 1 1 A 61 61 GLN CB C 61 26.400 25.822 0.578 1
1 701 . 19 1 1 A 61 61 GLN N N 61 113.800 116.715 -2.915 1
1 703 . 19 1 1 A 62 62 ASP H H 62 8.390 7.724 0.666 1
1 704 . 19 1 1 A 62 62 ASP HA H 62 4.720 4.780 -0.060 1
1 707 . 19 1 1 A 62 62 ASP CA C 62 52.800 54.099 -1.299 1
1 708 . 19 1 1 A 62 62 ASP CB C 62 41.000 41.613 -0.613 1
1 709 . 19 1 1 A 62 62 ASP N N 62 117.700 118.760 -1.060 1
1 710 . 19 1 1 A 63 63 GLY H H 63 10.840 9.775 1.065 1
1 711 . 19 1 1 A 63 63 GLY HA2 H 63 4.310 4.090 0.220 1
1 712 . 19 1 1 A 63 63 GLY HA3 H 63 3.880 4.354 -0.474 1
1 713 . 19 1 1 A 63 63 GLY CA C 63 46.200 46.305 -0.105 1
1 714 . 19 1 1 A 63 63 GLY N N 63 114.200 108.270 5.930 1
1 715 . 19 1 1 A 64 64 LYS H H 64 8.070 7.843 0.227 1
1 716 . 19 1 1 A 64 64 LYS HA H 64 5.030 5.105 -0.075 1
1 725 . 19 1 1 A 64 64 LYS CA C 64 54.200 54.279 -0.079 1
1 726 . 19 1 1 A 64 64 LYS CB C 64 36.100 36.367 -0.267 1
1 730 . 19 1 1 A 64 64 LYS N N 64 117.400 119.905 -2.505 1
1 731 . 19 1 1 A 65 65 LEU H H 65 8.990 9.612 -0.622 1
1 732 . 19 1 1 A 65 65 LEU HA H 65 5.750 4.939 0.811 1
1 742 . 19 1 1 A 65 65 LEU CA C 65 52.900 53.385 -0.485 1
1 743 . 19 1 1 A 65 65 LEU CB C 65 43.600 43.946 -0.346 1
1 747 . 19 1 1 A 65 65 LEU N N 65 120.700 123.573 -2.873 1
1 748 . 19 1 1 A 66 66 THR H H 66 10.210 9.170 1.040 1
1 749 . 19 1 1 A 66 66 THR HA H 66 4.910 4.796 0.114 1
1 754 . 19 1 1 A 66 66 THR CA C 66 60.900 61.144 -0.244 1
1 755 . 19 1 1 A 66 66 THR CB C 66 71.200 71.327 -0.127 1
1 757 . 19 1 1 A 66 66 THR N N 66 116.300 117.782 -1.482 1
1 758 . 19 1 1 A 67 67 ALA H H 67 8.350 8.765 -0.415 1
1 759 . 19 1 1 A 67 67 ALA HA H 67 2.620 3.817 -1.197 1
1 763 . 19 1 1 A 67 67 ALA CA C 67 56.200 55.360 0.840 1
1 764 . 19 1 1 A 67 67 ALA CB C 67 18.000 17.846 0.154 1
1 765 . 19 1 1 A 67 67 ALA N N 67 122.000 123.834 -1.834 1
1 766 . 19 1 1 A 68 68 GLU H H 68 8.160 8.178 -0.018 1
1 767 . 19 1 1 A 68 68 GLU HA H 68 4.180 4.335 -0.155 1
1 772 . 19 1 1 A 68 68 GLU CA C 68 60.500 59.709 0.791 1
1 773 . 19 1 1 A 68 68 GLU CB C 68 30.500 29.303 1.197 1
1 775 . 19 1 1 A 68 68 GLU N N 68 112.200 118.252 -6.052 1
1 776 . 19 1 1 A 69 69 GLU H H 69 7.280 7.421 -0.141 1
1 777 . 19 1 1 A 69 69 GLU HA H 69 4.030 3.959 0.071 1
1 782 . 19 1 1 A 69 69 GLU CA C 69 60.100 58.771 1.329 1
1 783 . 19 1 1 A 69 69 GLU CB C 69 31.800 29.220 2.580 1
1 785 . 19 1 1 A 69 69 GLU N N 69 117.400 120.341 -2.941 1
1 786 . 19 1 1 A 70 70 PHE H H 70 8.940 8.405 0.535 1
1 787 . 19 1 1 A 70 70 PHE HA H 70 4.130 4.107 0.023 1
1 795 . 19 1 1 A 70 70 PHE CA C 70 61.900 61.559 0.341 1
1 796 . 19 1 1 A 70 70 PHE CB C 70 39.900 39.352 0.548 1
1 800 . 19 1 1 A 70 70 PHE N N 70 119.000 121.996 -2.996 1
1 801 . 19 1 1 A 71 71 ILE H H 71 8.890 8.816 0.074 1
1 802 . 19 1 1 A 71 71 ILE HA H 71 3.380 3.718 -0.338 1
1 812 . 19 1 1 A 71 71 ILE CA C 71 65.800 65.469 0.331 1
1 813 . 19 1 1 A 71 71 ILE CB C 71 39.100 38.069 1.031 1
1 817 . 19 1 1 A 71 71 ILE N N 71 119.800 120.519 -0.719 1
1 818 . 19 1 1 A 72 72 LEU H H 72 7.810 8.337 -0.527 1
1 819 . 19 1 1 A 72 72 LEU HA H 72 4.040 4.063 -0.023 1
1 829 . 19 1 1 A 72 72 LEU CA C 72 58.300 58.071 0.229 1
1 830 . 19 1 1 A 72 72 LEU CB C 72 42.600 41.859 0.741 1
1 834 . 19 1 1 A 72 72 LEU N N 72 118.100 121.444 -3.344 1
1 835 . 19 1 1 A 73 73 ALA H H 73 8.340 8.511 -0.171 1
1 836 . 19 1 1 A 73 73 ALA HA H 73 3.820 3.997 -0.177 1
1 840 . 19 1 1 A 73 73 ALA CA C 73 55.600 55.336 0.264 1
1 841 . 19 1 1 A 73 73 ALA CB C 73 17.600 18.383 -0.783 1
1 842 . 19 1 1 A 73 73 ALA N N 73 122.000 120.875 1.125 1
1 843 . 19 1 1 A 74 74 MET H H 74 7.840 8.044 -0.204 1
1 844 . 19 1 1 A 74 74 MET HA H 74 3.830 3.882 -0.052 1
1 852 . 19 1 1 A 74 74 MET CA C 74 55.400 57.831 -2.431 1
1 853 . 19 1 1 A 74 74 MET CB C 74 27.800 30.856 -3.056 1
1 856 . 19 1 1 A 74 74 MET N N 74 113.400 116.699 -3.299 1
1 857 . 19 1 1 A 75 75 HIS H H 75 8.340 7.531 0.809 1
1 858 . 19 1 1 A 75 75 HIS HA H 75 4.510 4.311 0.199 1
1 863 . 19 1 1 A 75 75 HIS CA C 75 60.000 59.120 0.880 1
1 864 . 19 1 1 A 75 75 HIS CB C 75 31.400 29.683 1.717 1
1 867 . 19 1 1 A 75 75 HIS N N 75 120.200 120.778 -0.578 1
1 868 . 19 1 1 A 76 76 LEU H H 76 8.750 8.021 0.729 1
1 869 . 19 1 1 A 76 76 LEU HA H 76 3.670 3.745 -0.075 1
1 879 . 19 1 1 A 76 76 LEU CA C 76 57.700 57.602 0.098 1
1 880 . 19 1 1 A 76 76 LEU CB C 76 41.400 41.269 0.131 1
1 884 . 19 1 1 A 76 76 LEU N N 76 118.600 119.080 -0.480 1
1 885 . 19 1 1 A 77 77 ILE H H 77 7.980 8.059 -0.079 1
1 886 . 19 1 1 A 77 77 ILE HA H 77 3.470 3.426 0.044 1
1 896 . 19 1 1 A 77 77 ILE CA C 77 66.000 64.966 1.034 1
1 897 . 19 1 1 A 77 77 ILE CB C 77 36.500 37.626 -1.126 1
1 901 . 19 1 1 A 77 77 ILE N N 77 120.900 120.104 0.796 1
1 902 . 19 1 1 A 78 78 ASP H H 78 7.490 8.153 -0.663 1
1 903 . 19 1 1 A 78 78 ASP HA H 78 4.300 4.245 0.055 1
1 906 . 19 1 1 A 78 78 ASP CA C 78 57.900 57.590 0.310 1
1 907 . 19 1 1 A 78 78 ASP CB C 78 39.000 40.853 -1.853 1
1 908 . 19 1 1 A 78 78 ASP N N 78 121.500 120.726 0.774 1
1 909 . 19 1 1 A 79 79 VAL H H 79 8.380 8.061 0.319 1
1 910 . 19 1 1 A 79 79 VAL HA H 79 3.390 3.532 -0.142 1
1 918 . 19 1 1 A 79 79 VAL CA C 79 66.400 66.333 0.067 1
1 919 . 19 1 1 A 79 79 VAL CB C 79 31.700 31.519 0.181 1
1 922 . 19 1 1 A 79 79 VAL N N 79 122.400 119.111 3.289 1
1 923 . 19 1 1 A 80 80 ALA H H 80 8.730 8.501 0.229 1
1 924 . 19 1 1 A 80 80 ALA HA H 80 4.360 4.012 0.348 1
1 928 . 19 1 1 A 80 80 ALA CA C 80 54.800 55.675 -0.875 1
1 929 . 19 1 1 A 80 80 ALA CB C 80 18.100 17.810 0.290 1
1 930 . 19 1 1 A 80 80 ALA N N 80 125.200 122.532 2.668 1
1 931 . 19 1 1 A 81 81 MET H H 81 9.360 8.595 0.765 1
1 932 . 19 1 1 A 81 81 MET HA H 81 4.210 4.197 0.013 1
1 940 . 19 1 1 A 81 81 MET CA C 81 57.800 57.800 0.000 1
1 941 . 19 1 1 A 81 81 MET CB C 81 31.800 32.054 -0.254 1
1 944 . 19 1 1 A 81 81 MET N N 81 119.600 117.490 2.110 1
1 945 . 19 1 1 A 82 82 SER H H 82 7.780 7.467 0.313 1
1 946 . 19 1 1 A 82 82 SER HA H 82 4.510 4.514 -0.004 1
1 949 . 19 1 1 A 82 82 SER CA C 82 59.500 58.698 0.802 1
1 950 . 19 1 1 A 82 82 SER CB C 82 64.000 63.897 0.103 1
1 951 . 19 1 1 A 82 82 SER N N 82 114.000 112.421 1.579 1
1 952 . 19 1 1 A 83 83 GLY H H 83 7.910 8.260 -0.350 1
1 953 . 19 1 1 A 83 83 GLY HA2 H 83 3.700 3.901 -0.201 1
1 954 . 19 1 1 A 83 83 GLY HA3 H 83 4.350 3.904 0.446 1
1 955 . 19 1 1 A 83 83 GLY CA C 83 44.900 45.659 -0.759 1
1 956 . 19 1 1 A 83 83 GLY N N 83 109.400 109.946 -0.546 1
1 957 . 19 1 1 A 84 84 GLN H H 84 7.100 7.681 -0.581 1
1 958 . 19 1 1 A 84 84 GLN HA H 84 4.530 4.658 -0.128 1
1 965 . 19 1 1 A 84 84 GLN CA C 84 53.100 52.770 0.330 1
1 966 . 19 1 1 A 84 84 GLN CB C 84 29.000 29.206 -0.206 1
1 968 . 19 1 1 A 84 84 GLN N N 84 120.700 120.950 -0.250 1
1 970 . 19 1 1 A 85 85 PRO HA H 85 4.360 4.529 -0.169 1
1 977 . 19 1 1 A 85 85 PRO CA C 85 61.800 62.502 -0.702 1
1 978 . 19 1 1 A 85 85 PRO CB C 85 31.800 32.105 -0.305 1
1 981 . 19 1 1 A 86 86 LEU H H 86 8.360 8.405 -0.045 1
1 982 . 19 1 1 A 86 86 LEU HA H 86 4.380 4.616 -0.236 1
1 992 . 19 1 1 A 86 86 LEU CA C 86 51.600 52.648 -1.048 1
1 993 . 19 1 1 A 86 86 LEU CB C 86 41.000 41.116 -0.116 1
1 997 . 19 1 1 A 86 86 LEU N N 86 121.700 123.205 -1.505 1
1 998 . 19 1 1 A 87 87 PRO HA H 87 4.740 4.626 0.114 1
1 1005 . 19 1 1 A 87 87 PRO CA C 87 60.800 61.661 -0.861 1
1 1006 . 19 1 1 A 87 87 PRO CB C 87 30.900 32.139 -1.239 1
1 1009 . 19 1 1 A 88 88 PRO HA H 88 4.330 4.390 -0.060 1
1 1016 . 19 1 1 A 88 88 PRO CA C 88 63.900 64.876 -0.976 1
1 1017 . 19 1 1 A 88 88 PRO CB C 88 31.700 32.209 -0.509 1
1 1020 . 19 1 1 A 89 89 VAL H H 89 6.840 7.667 -0.827 1
1 1021 . 19 1 1 A 89 89 VAL HA H 89 4.030 4.608 -0.578 1
1 1029 . 19 1 1 A 89 89 VAL CA C 89 59.300 60.395 -1.095 1
1 1030 . 19 1 1 A 89 89 VAL CB C 89 35.500 34.942 0.558 1
1 1033 . 19 1 1 A 89 89 VAL N N 89 112.700 117.439 -4.739 1
1 1034 . 19 1 1 A 90 90 LEU H H 90 8.990 8.375 0.615 1
1 1035 . 19 1 1 A 90 90 LEU HA H 90 4.150 4.712 -0.562 1
1 1045 . 19 1 1 A 90 90 LEU CA C 90 53.500 52.535 0.965 1
1 1046 . 19 1 1 A 90 90 LEU CB C 90 42.200 43.512 -1.312 1
1 1050 . 19 1 1 A 90 90 LEU N N 90 127.800 126.696 1.104 1
1 1051 . 19 1 1 A 91 91 PRO HA H 91 4.830 4.769 0.061 1
1 1058 . 19 1 1 A 91 91 PRO CA C 91 61.100 61.678 -0.578 1
1 1059 . 19 1 1 A 91 91 PRO CB C 91 31.300 32.025 -0.725 1
1 1062 . 19 1 1 A 92 92 PRO HA H 92 4.230 4.208 0.022 1
1 1069 . 19 1 1 A 92 92 PRO CA C 92 65.100 65.283 -0.183 1
1 1070 . 19 1 1 A 92 92 PRO CB C 92 31.800 31.913 -0.113 1
1 1073 . 19 1 1 A 93 93 GLU H H 93 10.180 8.617 1.563 1
1 1074 . 19 1 1 A 93 93 GLU HA H 93 4.300 4.176 0.124 1
1 1079 . 19 1 1 A 93 93 GLU CA C 93 58.700 58.608 0.092 1
1 1080 . 19 1 1 A 93 93 GLU CB C 93 27.500 29.512 -2.012 1
1 1082 . 19 1 1 A 93 93 GLU N N 93 116.400 116.695 -0.295 1
1 1083 . 19 1 1 A 94 94 TYR H H 94 8.510 8.390 0.120 1
1 1084 . 19 1 1 A 94 94 TYR HA H 94 4.510 4.967 -0.457 1
1 1091 . 19 1 1 A 94 94 TYR CA C 94 60.100 57.703 2.397 1
1 1092 . 19 1 1 A 94 94 TYR CB C 94 39.600 38.587 1.013 1
1 1095 . 19 1 1 A 94 94 TYR N N 94 119.400 115.446 3.954 1
1 1096 . 19 1 1 A 95 95 ILE H H 95 7.800 7.604 0.196 1
1 1097 . 19 1 1 A 95 95 ILE HA H 95 3.940 4.252 -0.312 1
1 1107 . 19 1 1 A 95 95 ILE CA C 95 60.200 59.280 0.920 1
1 1108 . 19 1 1 A 95 95 ILE CB C 95 37.800 38.134 -0.334 1
1 1112 . 19 1 1 A 95 95 ILE N N 95 124.500 122.911 1.589 1
1 1113 . 19 1 1 A 96 96 PRO HA H 96 2.770 3.246 -0.476 1
1 1120 . 19 1 1 A 96 96 PRO CA C 96 60.700 61.279 -0.579 1
1 1121 . 19 1 1 A 96 96 PRO CB C 96 31.400 32.293 -0.893 1
1 1124 . 19 1 1 A 97 97 PRO HA H 97 3.680 4.022 -0.342 1
1 1131 . 19 1 1 A 97 97 PRO CA C 97 65.900 65.183 0.717 1
1 1132 . 19 1 1 A 97 97 PRO CB C 97 32.100 32.013 0.087 1
1 1135 . 19 1 1 A 98 98 SER H H 98 9.160 8.107 1.053 1
1 1136 . 19 1 1 A 98 98 SER HA H 98 3.980 4.132 -0.152 1
1 1139 . 19 1 1 A 98 98 SER CA C 98 60.900 59.520 1.380 1
1 1140 . 19 1 1 A 98 98 SER CB C 98 62.200 62.300 -0.100 1
1 1141 . 19 1 1 A 98 98 SER N N 98 112.400 112.050 0.350 1
1 1142 . 19 1 1 A 99 99 PHE H H 99 7.950 7.678 0.272 1
1 1143 . 19 1 1 A 99 99 PHE HA H 99 4.470 5.039 -0.569 1
1 1151 . 19 1 1 A 99 99 PHE CA C 99 58.500 56.809 1.691 1
1 1152 . 19 1 1 A 99 99 PHE CB C 99 40.100 38.689 1.411 1
1 1156 . 19 1 1 A 99 99 PHE N N 99 118.800 117.856 0.944 1
1 1157 . 19 1 1 A 100 100 ARG H H 100 7.350 7.861 -0.511 1
1 1158 . 19 1 1 A 100 100 ARG HA H 100 4.270 4.185 0.085 1
1 1165 . 19 1 1 A 100 100 ARG CA C 100 56.600 58.316 -1.716 1
1 1166 . 19 1 1 A 100 100 ARG CB C 100 30.300 30.736 -0.436 1
1 1169 . 19 1 1 A 100 100 ARG N N 100 120.200 120.153 0.047 1
1 1170 . 19 1 1 A 101 101 ARG H H 101 8.180 7.765 0.415 1
1 1171 . 19 1 1 A 101 101 ARG HA H 101 4.270 4.829 -0.559 1
1 1177 . 19 1 1 A 101 101 ARG CA C 101 56.700 54.660 2.040 1
1 1178 . 19 1 1 A 101 101 ARG CB C 101 30.700 32.286 -1.586 1
1 1181 . 19 1 1 A 101 101 ARG N N 101 121.100 118.182 2.918 1
1 1182 . 19 1 1 A 102 102 VAL H H 102 8.160 8.969 -0.809 1
1 1183 . 19 1 1 A 102 102 VAL HA H 102 4.080 4.881 -0.801 1
1 1191 . 19 1 1 A 102 102 VAL CA C 102 62.500 59.025 3.475 1
1 1192 . 19 1 1 A 102 102 VAL CB C 102 32.700 35.806 -3.106 1
1 1195 . 19 1 1 A 102 102 VAL N N 102 121.500 117.410 4.090 1
1 1196 . 19 1 1 A 103 103 ARG H H 103 7.920 8.888 -0.968 1
1 1197 . 19 1 1 A 103 103 ARG HA H 103 4.160 4.681 -0.521 1
1 1204 . 19 1 1 A 103 103 ARG CA C 103 57.300 55.193 2.107 1
1 1205 . 19 1 1 A 103 103 ARG CB C 103 31.600 30.886 0.714 1
1 1208 . 19 1 1 A 103 103 ARG N N 103 129.400 123.664 5.736 1
1 1209 . 19 1 1 A 104 104 LEU H H 104 8.190 8.618 -0.428 1
1 1210 . 19 1 1 A 104 104 LEU N N 104 122.800 123.844 -1.044 1
1 1211 . 19 1 1 A 105 105 GLU H H 105 8.220 8.867 -0.647 1
1 8 . 20 1 1 A 2 2 PRO HA H 2 4.430 4.294 0.136 1
1 15 . 20 1 1 A 2 2 PRO CA C 2 62.800 63.652 -0.852 1
1 16 . 20 1 1 A 2 2 PRO CB C 2 31.900 31.450 0.450 1
1 19 . 20 1 1 A 3 3 VAL H H 3 8.130 8.460 -0.330 1
1 20 . 20 1 1 A 3 3 VAL HA H 3 4.030 3.621 0.409 1
1 28 . 20 1 1 A 3 3 VAL CA C 3 62.200 62.627 -0.427 1
1 29 . 20 1 1 A 3 3 VAL CB C 3 32.700 30.295 2.405 1
1 32 . 20 1 1 A 3 3 VAL N N 3 120.100 116.664 3.436 1
1 33 . 20 1 1 A 4 4 ALA H H 4 8.330 8.363 -0.033 1
1 34 . 20 1 1 A 4 4 ALA HA H 4 4.310 4.590 -0.280 1
1 38 . 20 1 1 A 4 4 ALA CA C 4 52.100 51.145 0.955 1
1 39 . 20 1 1 A 4 4 ALA CB C 4 19.400 19.161 0.239 1
1 40 . 20 1 1 A 4 4 ALA N N 4 127.300 125.451 1.849 1
1 41 . 20 1 1 A 5 5 GLU H H 5 8.290 7.748 0.542 1
1 42 . 20 1 1 A 5 5 GLU HA H 5 4.290 4.425 -0.135 1
1 47 . 20 1 1 A 5 5 GLU CA C 5 56.100 56.476 -0.376 1
1 48 . 20 1 1 A 5 5 GLU CB C 5 30.500 29.986 0.514 1
1 50 . 20 1 1 A 5 5 GLU N N 5 121.000 117.995 3.005 1
1 51 . 20 1 1 A 6 6 TRP H H 6 8.670 8.808 -0.138 1
1 52 . 20 1 1 A 6 6 TRP HA H 6 5.020 4.878 0.142 1
1 61 . 20 1 1 A 6 6 TRP CA C 6 54.500 56.559 -2.059 1
1 62 . 20 1 1 A 6 6 TRP CB C 6 30.100 29.933 0.167 1
1 68 . 20 1 1 A 6 6 TRP N N 6 124.900 125.557 -0.657 1
1 70 . 20 1 1 A 7 7 ALA H H 7 7.850 9.353 -1.503 1
1 71 . 20 1 1 A 7 7 ALA HA H 7 3.790 4.121 -0.331 1
1 75 . 20 1 1 A 7 7 ALA CA C 7 53.200 51.578 1.622 1
1 76 . 20 1 1 A 7 7 ALA CB C 7 18.000 17.061 0.939 1
1 77 . 20 1 1 A 7 7 ALA N N 7 128.000 129.366 -1.366 1
1 78 . 20 1 1 A 8 8 VAL H H 8 5.280 7.738 -2.458 1
1 79 . 20 1 1 A 8 8 VAL HA H 8 2.850 3.864 -1.014 1
1 87 . 20 1 1 A 8 8 VAL CA C 8 59.700 57.348 2.352 1
1 88 . 20 1 1 A 8 8 VAL CB C 8 31.600 33.909 -2.309 1
1 91 . 20 1 1 A 8 8 VAL N N 8 117.000 119.873 -2.873 1
1 92 . 20 1 1 A 9 9 PRO HA H 9 4.340 4.353 -0.013 1
1 99 . 20 1 1 A 9 9 PRO CA C 9 62.800 62.911 -0.111 1
1 100 . 20 1 1 A 9 9 PRO CB C 9 32.400 32.357 0.043 1
1 103 . 20 1 1 A 10 10 GLN HA H 10 3.710 3.868 -0.158 1
1 110 . 20 1 1 A 10 10 GLN CA C 10 60.100 59.053 1.047 1
1 111 . 20 1 1 A 10 10 GLN CB C 10 28.000 28.669 -0.669 1
1 114 . 20 1 1 A 11 11 SER HA H 11 4.070 4.099 -0.029 1
1 117 . 20 1 1 A 11 11 SER CA C 11 61.400 61.765 -0.365 1
1 118 . 20 1 1 A 11 11 SER CB C 11 61.400 62.669 -1.269 1
1 119 . 20 1 1 A 12 12 SER H H 12 7.070 7.802 -0.732 1
1 120 . 20 1 1 A 12 12 SER HA H 12 3.990 3.962 0.028 1
1 123 . 20 1 1 A 12 12 SER CA C 12 61.500 61.099 0.401 1
1 124 . 20 1 1 A 12 12 SER CB C 12 61.500 62.721 -1.221 1
1 125 . 20 1 1 A 12 12 SER N N 12 119.300 116.367 2.933 1
1 126 . 20 1 1 A 13 13 ARG H H 13 8.000 8.174 -0.174 1
1 127 . 20 1 1 A 13 13 ARG HA H 13 3.930 4.073 -0.143 1
1 134 . 20 1 1 A 13 13 ARG CA C 13 59.800 58.928 0.872 1
1 135 . 20 1 1 A 13 13 ARG CB C 13 30.300 29.566 0.734 1
1 138 . 20 1 1 A 13 13 ARG N N 13 121.600 119.217 2.383 1
1 139 . 20 1 1 A 14 14 LEU H H 14 7.710 8.485 -0.775 1
1 140 . 20 1 1 A 14 14 LEU HA H 14 4.120 3.946 0.174 1
1 150 . 20 1 1 A 14 14 LEU CA C 14 57.900 57.994 -0.094 1
1 151 . 20 1 1 A 14 14 LEU CB C 14 41.900 41.606 0.294 1
1 155 . 20 1 1 A 14 14 LEU N N 14 117.100 121.059 -3.959 1
1 156 . 20 1 1 A 15 15 LYS H H 15 7.450 7.638 -0.188 1
1 157 . 20 1 1 A 15 15 LYS HA H 15 4.050 3.973 0.077 1
1 166 . 20 1 1 A 15 15 LYS CA C 15 59.100 58.737 0.363 1
1 167 . 20 1 1 A 15 15 LYS CB C 15 33.000 31.966 1.034 1
1 171 . 20 1 1 A 15 15 LYS N N 15 118.800 120.572 -1.772 1
1 172 . 20 1 1 A 16 16 TYR H H 16 8.640 7.270 1.370 1
1 173 . 20 1 1 A 16 16 TYR HA H 16 5.130 4.589 0.541 1
1 180 . 20 1 1 A 16 16 TYR CA C 16 58.900 61.087 -2.187 1
1 181 . 20 1 1 A 16 16 TYR CB C 16 37.100 39.389 -2.289 1
1 184 . 20 1 1 A 16 16 TYR N N 16 117.800 117.507 0.293 1
1 185 . 20 1 1 A 17 17 ARG H H 17 8.470 8.550 -0.080 1
1 186 . 20 1 1 A 17 17 ARG HA H 17 4.230 4.111 0.119 1
1 193 . 20 1 1 A 17 17 ARG CA C 17 59.700 59.151 0.549 1
1 194 . 20 1 1 A 17 17 ARG CB C 17 29.800 29.768 0.032 1
1 197 . 20 1 1 A 17 17 ARG N N 17 124.000 122.676 1.324 1
1 198 . 20 1 1 A 18 18 GLN H H 18 7.740 7.668 0.072 1
1 199 . 20 1 1 A 18 18 GLN HA H 18 4.190 4.252 -0.062 1
1 206 . 20 1 1 A 18 18 GLN CA C 18 59.300 57.853 1.447 1
1 207 . 20 1 1 A 18 18 GLN CB C 18 27.900 29.055 -1.155 1
1 209 . 20 1 1 A 18 18 GLN N N 18 118.000 116.971 1.029 1
1 211 . 20 1 1 A 19 19 LEU H H 19 7.770 7.894 -0.124 1
1 212 . 20 1 1 A 19 19 LEU HA H 19 4.400 4.598 -0.198 1
1 222 . 20 1 1 A 19 19 LEU CA C 19 58.000 53.964 4.036 1
1 223 . 20 1 1 A 19 19 LEU CB C 19 42.800 42.974 -0.174 1
1 227 . 20 1 1 A 19 19 LEU N N 19 120.500 121.105 -0.605 1
1 228 . 20 1 1 A 20 20 PHE H H 20 8.710 7.748 0.962 1
1 229 . 20 1 1 A 20 20 PHE HA H 20 3.330 3.744 -0.414 1
1 237 . 20 1 1 A 20 20 PHE CA C 20 62.400 62.069 0.331 1
1 238 . 20 1 1 A 20 20 PHE CB C 20 38.500 39.173 -0.673 1
1 242 . 20 1 1 A 20 20 PHE N N 20 121.900 121.440 0.460 1
1 243 . 20 1 1 A 21 21 ASN H H 21 8.770 9.025 -0.255 1
1 244 . 20 1 1 A 21 21 ASN HA H 21 4.380 4.527 -0.147 1
1 249 . 20 1 1 A 21 21 ASN CA C 21 55.400 56.541 -1.141 1
1 250 . 20 1 1 A 21 21 ASN CB C 21 37.600 39.498 -1.898 1
1 251 . 20 1 1 A 21 21 ASN N N 21 117.300 117.702 -0.402 1
1 253 . 20 1 1 A 22 22 SER H H 22 7.900 8.708 -0.808 1
1 254 . 20 1 1 A 22 22 SER HA H 22 4.180 4.207 -0.027 1
1 257 . 20 1 1 A 22 22 SER CA C 22 60.700 60.384 0.316 1
1 258 . 20 1 1 A 22 22 SER CB C 22 62.900 63.070 -0.170 1
1 259 . 20 1 1 A 22 22 SER N N 22 114.800 113.882 0.918 1
1 260 . 20 1 1 A 23 23 HIS H H 23 7.310 8.010 -0.700 1
1 261 . 20 1 1 A 23 23 HIS HA H 23 4.480 4.444 0.036 1
1 266 . 20 1 1 A 23 23 HIS CA C 23 58.000 56.531 1.469 1
1 267 . 20 1 1 A 23 23 HIS CB C 23 32.400 29.831 2.569 1
1 270 . 20 1 1 A 23 23 HIS N N 23 118.900 116.977 1.923 1
1 271 . 20 1 1 A 24 24 ASP H H 24 7.870 7.708 0.162 1
1 272 . 20 1 1 A 24 24 ASP HA H 24 4.850 4.643 0.207 1
1 275 . 20 1 1 A 24 24 ASP CA C 24 52.100 53.500 -1.400 1
1 276 . 20 1 1 A 24 24 ASP CB C 24 38.500 42.515 -4.015 1
1 277 . 20 1 1 A 24 24 ASP N N 24 122.400 121.724 0.676 1
1 278 . 20 1 1 A 25 25 LYS H H 25 7.900 8.706 -0.806 1
1 279 . 20 1 1 A 25 25 LYS HA H 25 4.070 4.641 -0.571 1
1 288 . 20 1 1 A 25 25 LYS CA C 25 58.600 55.714 2.886 1
1 289 . 20 1 1 A 25 25 LYS CB C 25 32.600 33.395 -0.795 1
1 293 . 20 1 1 A 25 25 LYS N N 25 122.400 121.003 1.397 1
1 294 . 20 1 1 A 26 26 THR H H 26 8.120 7.298 0.822 1
1 295 . 20 1 1 A 26 26 THR HA H 26 4.340 4.528 -0.188 1
1 300 . 20 1 1 A 26 26 THR CA C 26 61.000 60.046 0.954 1
1 301 . 20 1 1 A 26 26 THR CB C 26 69.100 69.993 -0.893 1
1 303 . 20 1 1 A 26 26 THR N N 26 106.400 111.787 -5.387 1
1 304 . 20 1 1 A 27 27 MET H H 27 8.030 8.509 -0.479 1
1 305 . 20 1 1 A 27 27 MET HA H 27 3.980 4.692 -0.712 1
1 310 . 20 1 1 A 27 27 MET CA C 27 56.600 54.568 2.032 1
1 311 . 20 1 1 A 27 27 MET CB C 27 29.100 30.635 -1.535 1
1 313 . 20 1 1 A 27 27 MET N N 27 119.600 123.044 -3.444 1
1 314 . 20 1 1 A 28 28 SER H H 28 9.520 7.743 1.777 1
1 315 . 20 1 1 A 28 28 SER HA H 28 4.250 4.670 -0.420 1
1 318 . 20 1 1 A 28 28 SER CA C 28 60.500 57.191 3.309 1
1 319 . 20 1 1 A 28 28 SER CB C 28 64.400 63.938 0.462 1
1 320 . 20 1 1 A 28 28 SER N N 28 118.600 118.866 -0.266 1
1 321 . 20 1 1 A 29 29 GLY H H 29 10.710 9.034 1.676 1
1 322 . 20 1 1 A 29 29 GLY HA2 H 29 4.380 3.918 0.462 1
1 323 . 20 1 1 A 29 29 GLY HA3 H 29 3.690 4.025 -0.335 1
1 324 . 20 1 1 A 29 29 GLY CA C 29 45.200 46.613 -1.413 1
1 325 . 20 1 1 A 29 29 GLY N N 29 113.800 115.751 -1.951 1
1 326 . 20 1 1 A 30 30 HIS H H 30 7.870 7.697 0.173 1
1 327 . 20 1 1 A 30 30 HIS HA H 30 5.520 5.211 0.309 1
1 332 . 20 1 1 A 30 30 HIS CA C 30 55.800 54.998 0.802 1
1 333 . 20 1 1 A 30 30 HIS CB C 30 32.800 31.329 1.471 1
1 336 . 20 1 1 A 30 30 HIS N N 30 115.700 115.724 -0.024 1
1 337 . 20 1 1 A 31 31 LEU H H 31 9.140 9.938 -0.798 1
1 338 . 20 1 1 A 31 31 LEU HA H 31 4.840 4.850 -0.010 1
1 348 . 20 1 1 A 31 31 LEU CA C 31 52.900 53.733 -0.833 1
1 349 . 20 1 1 A 31 31 LEU CB C 31 44.200 43.829 0.371 1
1 353 . 20 1 1 A 31 31 LEU N N 31 117.200 121.347 -4.147 1
1 354 . 20 1 1 A 32 32 THR H H 32 8.680 8.625 0.055 1
1 355 . 20 1 1 A 32 32 THR HA H 32 4.340 4.807 -0.467 1
1 360 . 20 1 1 A 32 32 THR CA C 32 61.500 60.545 0.955 1
1 361 . 20 1 1 A 32 32 THR CB C 32 70.200 71.601 -1.401 1
1 363 . 20 1 1 A 32 32 THR N N 32 113.400 115.181 -1.781 1
1 364 . 20 1 1 A 33 33 GLY H H 33 9.090 8.694 0.396 1
1 365 . 20 1 1 A 33 33 GLY HA2 H 33 3.970 3.897 0.073 1
1 366 . 20 1 1 A 33 33 GLY HA3 H 33 4.070 4.178 -0.108 1
1 367 . 20 1 1 A 33 33 GLY CA C 33 49.300 48.362 0.938 1
1 368 . 20 1 1 A 33 33 GLY N N 33 108.000 109.509 -1.509 1
1 369 . 20 1 1 A 34 34 PRO HA H 34 4.110 4.167 -0.057 1
1 376 . 20 1 1 A 34 34 PRO CA C 34 65.400 65.536 -0.136 1
1 377 . 20 1 1 A 34 34 PRO CB C 34 32.200 30.927 1.273 1
1 380 . 20 1 1 A 35 35 GLN H H 35 7.240 8.206 -0.966 1
1 381 . 20 1 1 A 35 35 GLN HA H 35 4.040 4.004 0.036 1
1 388 . 20 1 1 A 35 35 GLN CA C 35 58.200 59.272 -1.072 1
1 389 . 20 1 1 A 35 35 GLN CB C 35 29.800 28.361 1.439 1
1 391 . 20 1 1 A 35 35 GLN N N 35 116.700 117.472 -0.772 1
1 393 . 20 1 1 A 36 36 ALA H H 36 9.180 8.696 0.484 1
1 394 . 20 1 1 A 36 36 ALA HA H 36 4.080 4.201 -0.121 1
1 398 . 20 1 1 A 36 36 ALA CA C 36 54.900 55.591 -0.691 1
1 399 . 20 1 1 A 36 36 ALA CB C 36 18.900 18.495 0.405 1
1 400 . 20 1 1 A 36 36 ALA N N 36 120.000 122.796 -2.796 1
1 401 . 20 1 1 A 37 37 ARG H H 37 9.060 8.515 0.545 1
1 402 . 20 1 1 A 37 37 ARG HA H 37 3.860 4.035 -0.175 1
1 409 . 20 1 1 A 37 37 ARG CA C 37 61.000 59.624 1.376 1
1 410 . 20 1 1 A 37 37 ARG CB C 37 29.900 29.987 -0.087 1
1 413 . 20 1 1 A 37 37 ARG N N 37 117.200 117.887 -0.687 1
1 414 . 20 1 1 A 38 38 THR H H 38 7.620 8.269 -0.649 1
1 415 . 20 1 1 A 38 38 THR HA H 38 3.920 4.034 -0.114 1
1 420 . 20 1 1 A 38 38 THR CA C 38 66.900 66.721 0.179 1
1 421 . 20 1 1 A 38 38 THR CB C 38 68.800 67.823 0.977 1
1 423 . 20 1 1 A 38 38 THR N N 38 114.600 118.420 -3.820 1
1 424 . 20 1 1 A 39 39 ILE H H 39 7.180 7.422 -0.242 1
1 425 . 20 1 1 A 39 39 ILE HA H 39 3.730 3.760 -0.030 1
1 435 . 20 1 1 A 39 39 ILE CA C 39 64.900 64.187 0.713 1
1 436 . 20 1 1 A 39 39 ILE CB C 39 39.000 37.344 1.656 1
1 440 . 20 1 1 A 39 39 ILE N N 39 121.500 121.316 0.184 1
1 441 . 20 1 1 A 40 40 LEU H H 40 8.480 8.345 0.135 1
1 442 . 20 1 1 A 40 40 LEU HA H 40 3.870 3.887 -0.017 1
1 452 . 20 1 1 A 40 40 LEU CA C 40 58.500 57.928 0.572 1
1 453 . 20 1 1 A 40 40 LEU CB C 40 40.800 41.537 -0.737 1
1 457 . 20 1 1 A 40 40 LEU N N 40 119.900 120.330 -0.430 1
1 458 . 20 1 1 A 41 41 MET H H 41 8.160 8.548 -0.388 1
1 459 . 20 1 1 A 41 41 MET HA H 41 4.200 4.213 -0.013 1
1 464 . 20 1 1 A 41 41 MET CA C 41 57.700 57.654 0.046 1
1 465 . 20 1 1 A 41 41 MET CB C 41 32.500 32.009 0.491 1
1 467 . 20 1 1 A 41 41 MET N N 41 115.300 117.526 -2.226 1
1 468 . 20 1 1 A 42 42 GLN H H 42 7.600 7.850 -0.250 1
1 469 . 20 1 1 A 42 42 GLN HA H 42 4.230 4.238 -0.008 1
1 476 . 20 1 1 A 42 42 GLN CA C 42 57.200 58.128 -0.928 1
1 477 . 20 1 1 A 42 42 GLN CB C 42 27.900 28.698 -0.798 1
1 479 . 20 1 1 A 42 42 GLN N N 42 118.900 119.057 -0.157 1
1 481 . 20 1 1 A 43 43 SER H H 43 7.670 7.618 0.052 1
1 482 . 20 1 1 A 43 43 SER HA H 43 4.300 4.522 -0.222 1
1 485 . 20 1 1 A 43 43 SER CA C 43 59.800 58.723 1.077 1
1 486 . 20 1 1 A 43 43 SER CB C 43 65.200 63.660 1.540 1
1 487 . 20 1 1 A 43 43 SER N N 43 113.900 113.453 0.447 1
1 488 . 20 1 1 A 44 44 SER H H 44 8.040 8.228 -0.188 1
1 489 . 20 1 1 A 44 44 SER HA H 44 4.300 4.155 0.145 1
1 492 . 20 1 1 A 44 44 SER CA C 44 59.400 59.365 0.035 1
1 493 . 20 1 1 A 44 44 SER CB C 44 62.500 61.037 1.463 1
1 494 . 20 1 1 A 44 44 SER N N 44 113.500 114.749 -1.249 1
1 495 . 20 1 1 A 45 45 LEU H H 45 7.430 7.916 -0.486 1
1 496 . 20 1 1 A 45 45 LEU HA H 45 4.470 4.469 0.001 1
1 506 . 20 1 1 A 45 45 LEU CA C 45 53.300 52.777 0.523 1
1 507 . 20 1 1 A 45 45 LEU CB C 45 41.700 41.313 0.387 1
1 511 . 20 1 1 A 45 45 LEU N N 45 121.900 121.428 0.472 1
1 512 . 20 1 1 A 46 46 PRO HA H 46 4.460 4.503 -0.043 1
1 519 . 20 1 1 A 46 46 PRO CA C 46 62.500 63.284 -0.784 1
1 520 . 20 1 1 A 46 46 PRO CB C 46 32.500 32.757 -0.257 1
1 523 . 20 1 1 A 47 47 GLN H H 47 8.820 8.977 -0.157 1
1 524 . 20 1 1 A 47 47 GLN HA H 47 3.870 3.947 -0.077 1
1 531 . 20 1 1 A 47 47 GLN CA C 47 59.600 59.115 0.485 1
1 532 . 20 1 1 A 47 47 GLN CB C 47 28.100 28.258 -0.158 1
1 534 . 20 1 1 A 47 47 GLN N N 47 123.400 123.876 -0.476 1
1 536 . 20 1 1 A 48 48 ALA H H 48 9.000 8.285 0.715 1
1 537 . 20 1 1 A 48 48 ALA HA H 48 4.150 4.070 0.080 1
1 541 . 20 1 1 A 48 48 ALA CA C 48 55.200 55.061 0.139 1
1 542 . 20 1 1 A 48 48 ALA CB C 48 18.200 18.355 -0.155 1
1 543 . 20 1 1 A 48 48 ALA N N 48 119.800 121.947 -2.147 1
1 544 . 20 1 1 A 49 49 GLN H H 49 7.190 8.048 -0.858 1
1 545 . 20 1 1 A 49 49 GLN HA H 49 4.230 4.014 0.216 1
1 552 . 20 1 1 A 49 49 GLN CA C 49 58.600 58.814 -0.214 1
1 553 . 20 1 1 A 49 49 GLN CB C 49 29.400 28.383 1.017 1
1 555 . 20 1 1 A 49 49 GLN N N 49 115.800 117.806 -2.006 1
1 557 . 20 1 1 A 50 50 LEU H H 50 7.800 8.459 -0.659 1
1 558 . 20 1 1 A 50 50 LEU HA H 50 3.930 3.961 -0.031 1
1 568 . 20 1 1 A 50 50 LEU CA C 50 57.900 57.900 0.000 1
1 569 . 20 1 1 A 50 50 LEU CB C 50 41.100 41.536 -0.436 1
1 573 . 20 1 1 A 50 50 LEU N N 50 119.800 120.559 -0.759 1
1 574 . 20 1 1 A 51 51 ALA H H 51 8.410 8.914 -0.504 1
1 575 . 20 1 1 A 51 51 ALA HA H 51 4.210 4.099 0.111 1
1 579 . 20 1 1 A 51 51 ALA CA C 51 55.100 55.297 -0.197 1
1 580 . 20 1 1 A 51 51 ALA CB C 51 17.500 17.939 -0.439 1
1 581 . 20 1 1 A 51 51 ALA N N 51 122.600 122.113 0.487 1
1 582 . 20 1 1 A 52 52 SER H H 52 7.530 7.774 -0.244 1
1 583 . 20 1 1 A 52 52 SER HA H 52 4.310 4.237 0.073 1
1 586 . 20 1 1 A 52 52 SER CA C 52 62.200 61.593 0.607 1
1 587 . 20 1 1 A 52 52 SER CB C 52 62.600 63.014 -0.414 1
1 588 . 20 1 1 A 52 52 SER N N 52 115.300 113.497 1.803 1
1 589 . 20 1 1 A 53 53 ILE H H 53 8.270 8.226 0.044 1
1 590 . 20 1 1 A 53 53 ILE HA H 53 3.430 3.701 -0.271 1
1 600 . 20 1 1 A 53 53 ILE CA C 53 66.300 65.147 1.153 1
1 601 . 20 1 1 A 53 53 ILE CB C 53 37.900 37.702 0.198 1
1 605 . 20 1 1 A 53 53 ILE N N 53 122.000 121.957 0.043 1
1 606 . 20 1 1 A 54 54 TRP H H 54 8.480 8.426 0.054 1
1 607 . 20 1 1 A 54 54 TRP HA H 54 3.720 4.118 -0.398 1
1 616 . 20 1 1 A 54 54 TRP CA C 54 61.400 60.930 0.470 1
1 617 . 20 1 1 A 54 54 TRP CB C 54 28.100 29.360 -1.260 1
1 623 . 20 1 1 A 54 54 TRP N N 54 122.100 121.824 0.276 1
1 625 . 20 1 1 A 55 55 ASN H H 55 7.860 8.699 -0.839 1
1 626 . 20 1 1 A 55 55 ASN HA H 55 4.350 4.526 -0.176 1
1 631 . 20 1 1 A 55 55 ASN CA C 55 55.900 56.484 -0.584 1
1 632 . 20 1 1 A 55 55 ASN CB C 55 38.500 40.011 -1.511 1
1 633 . 20 1 1 A 55 55 ASN N N 55 113.900 118.112 -4.212 1
1 635 . 20 1 1 A 56 56 LEU H H 56 8.020 8.198 -0.178 1
1 636 . 20 1 1 A 56 56 LEU HA H 56 3.990 4.111 -0.121 1
1 646 . 20 1 1 A 56 56 LEU CA C 56 56.700 57.686 -0.986 1
1 647 . 20 1 1 A 56 56 LEU CB C 56 43.900 41.495 2.405 1
1 651 . 20 1 1 A 56 56 LEU N N 56 117.500 119.460 -1.960 1
1 652 . 20 1 1 A 57 57 SER H H 57 7.280 7.507 -0.227 1
1 653 . 20 1 1 A 57 57 SER HA H 57 4.290 4.383 -0.093 1
1 656 . 20 1 1 A 57 57 SER CA C 57 61.100 60.544 0.556 1
1 657 . 20 1 1 A 57 57 SER CB C 57 64.000 63.832 0.168 1
1 658 . 20 1 1 A 57 57 SER N N 57 111.100 112.666 -1.566 1
1 659 . 20 1 1 A 58 58 ASP H H 58 7.030 7.713 -0.683 1
1 660 . 20 1 1 A 58 58 ASP HA H 58 4.650 4.482 0.168 1
1 663 . 20 1 1 A 58 58 ASP CA C 58 51.400 54.399 -2.999 1
1 664 . 20 1 1 A 58 58 ASP CB C 58 37.200 41.738 -4.538 1
1 665 . 20 1 1 A 58 58 ASP N N 58 115.600 120.195 -4.595 1
1 666 . 20 1 1 A 59 59 ILE H H 59 8.630 8.988 -0.358 1
1 667 . 20 1 1 A 59 59 ILE HA H 59 3.260 4.395 -1.135 1
1 677 . 20 1 1 A 59 59 ILE CA C 59 62.900 61.976 0.924 1
1 678 . 20 1 1 A 59 59 ILE CB C 59 36.600 40.029 -3.429 1
1 682 . 20 1 1 A 59 59 ILE N N 59 128.500 126.758 1.742 1
1 683 . 20 1 1 A 60 60 ASP H H 60 7.960 7.824 0.136 1
1 684 . 20 1 1 A 60 60 ASP HA H 60 4.480 4.923 -0.443 1
1 687 . 20 1 1 A 60 60 ASP CA C 60 52.300 53.422 -1.122 1
1 688 . 20 1 1 A 60 60 ASP CB C 60 39.100 43.154 -4.054 1
1 689 . 20 1 1 A 60 60 ASP N N 60 113.200 120.942 -7.742 1
1 690 . 20 1 1 A 61 61 GLN H H 61 7.550 8.328 -0.778 1
1 691 . 20 1 1 A 61 61 GLN HA H 61 3.800 4.661 -0.861 1
1 698 . 20 1 1 A 61 61 GLN CA C 61 57.100 54.565 2.535 1
1 699 . 20 1 1 A 61 61 GLN CB C 61 26.400 28.699 -2.299 1
1 701 . 20 1 1 A 61 61 GLN N N 61 113.800 116.097 -2.297 1
1 703 . 20 1 1 A 62 62 ASP H H 62 8.390 8.745 -0.355 1
1 704 . 20 1 1 A 62 62 ASP HA H 62 4.720 4.552 0.168 1
1 707 . 20 1 1 A 62 62 ASP CA C 62 52.800 56.727 -3.927 1
1 708 . 20 1 1 A 62 62 ASP CB C 62 41.000 40.592 0.408 1
1 709 . 20 1 1 A 62 62 ASP N N 62 117.700 122.756 -5.056 1
1 710 . 20 1 1 A 63 63 GLY H H 63 10.840 8.028 2.812 1
1 711 . 20 1 1 A 63 63 GLY HA2 H 63 4.310 4.233 0.077 1
1 712 . 20 1 1 A 63 63 GLY HA3 H 63 3.880 4.448 -0.568 1
1 713 . 20 1 1 A 63 63 GLY CA C 63 46.200 45.746 0.454 1
1 714 . 20 1 1 A 63 63 GLY N N 63 114.200 106.007 8.193 1
1 715 . 20 1 1 A 64 64 LYS H H 64 8.070 7.553 0.517 1
1 716 . 20 1 1 A 64 64 LYS HA H 64 5.030 5.210 -0.180 1
1 725 . 20 1 1 A 64 64 LYS CA C 64 54.200 54.531 -0.331 1
1 726 . 20 1 1 A 64 64 LYS CB C 64 36.100 36.180 -0.080 1
1 730 . 20 1 1 A 64 64 LYS N N 64 117.400 118.673 -1.273 1
1 731 . 20 1 1 A 65 65 LEU H H 65 8.990 9.449 -0.459 1
1 732 . 20 1 1 A 65 65 LEU HA H 65 5.750 4.839 0.911 1
1 742 . 20 1 1 A 65 65 LEU CA C 65 52.900 53.379 -0.479 1
1 743 . 20 1 1 A 65 65 LEU CB C 65 43.600 44.065 -0.465 1
1 747 . 20 1 1 A 65 65 LEU N N 65 120.700 123.679 -2.979 1
1 748 . 20 1 1 A 66 66 THR H H 66 10.210 8.864 1.346 1
1 749 . 20 1 1 A 66 66 THR HA H 66 4.910 4.817 0.093 1
1 754 . 20 1 1 A 66 66 THR CA C 66 60.900 60.978 -0.078 1
1 755 . 20 1 1 A 66 66 THR CB C 66 71.200 71.296 -0.096 1
1 757 . 20 1 1 A 66 66 THR N N 66 116.300 118.178 -1.878 1
1 758 . 20 1 1 A 67 67 ALA H H 67 8.350 8.569 -0.219 1
1 759 . 20 1 1 A 67 67 ALA HA H 67 2.620 3.815 -1.195 1
1 763 . 20 1 1 A 67 67 ALA CA C 67 56.200 54.839 1.361 1
1 764 . 20 1 1 A 67 67 ALA CB C 67 18.000 17.490 0.510 1
1 765 . 20 1 1 A 67 67 ALA N N 67 122.000 123.696 -1.696 1
1 766 . 20 1 1 A 68 68 GLU H H 68 8.160 8.017 0.143 1
1 767 . 20 1 1 A 68 68 GLU HA H 68 4.180 4.165 0.015 1
1 772 . 20 1 1 A 68 68 GLU CA C 68 60.500 59.573 0.927 1
1 773 . 20 1 1 A 68 68 GLU CB C 68 30.500 29.459 1.041 1
1 775 . 20 1 1 A 68 68 GLU N N 68 112.200 117.801 -5.601 1
1 776 . 20 1 1 A 69 69 GLU H H 69 7.280 7.776 -0.496 1
1 777 . 20 1 1 A 69 69 GLU HA H 69 4.030 3.959 0.071 1
1 782 . 20 1 1 A 69 69 GLU CA C 69 60.100 58.898 1.202 1
1 783 . 20 1 1 A 69 69 GLU CB C 69 31.800 29.245 2.555 1
1 785 . 20 1 1 A 69 69 GLU N N 69 117.400 120.175 -2.775 1
1 786 . 20 1 1 A 70 70 PHE H H 70 8.940 8.311 0.629 1
1 787 . 20 1 1 A 70 70 PHE HA H 70 4.130 4.128 0.002 1
1 795 . 20 1 1 A 70 70 PHE CA C 70 61.900 61.494 0.406 1
1 796 . 20 1 1 A 70 70 PHE CB C 70 39.900 39.411 0.489 1
1 800 . 20 1 1 A 70 70 PHE N N 70 119.000 121.583 -2.583 1
1 801 . 20 1 1 A 71 71 ILE H H 71 8.890 8.606 0.284 1
1 802 . 20 1 1 A 71 71 ILE HA H 71 3.380 3.825 -0.445 1
1 812 . 20 1 1 A 71 71 ILE CA C 71 65.800 65.682 0.118 1
1 813 . 20 1 1 A 71 71 ILE CB C 71 39.100 38.000 1.100 1
1 817 . 20 1 1 A 71 71 ILE N N 71 119.800 120.994 -1.194 1
1 818 . 20 1 1 A 72 72 LEU H H 72 7.810 8.232 -0.422 1
1 819 . 20 1 1 A 72 72 LEU HA H 72 4.040 4.181 -0.141 1
1 829 . 20 1 1 A 72 72 LEU CA C 72 58.300 58.121 0.179 1
1 830 . 20 1 1 A 72 72 LEU CB C 72 42.600 41.814 0.786 1
1 834 . 20 1 1 A 72 72 LEU N N 72 118.100 121.295 -3.195 1
1 835 . 20 1 1 A 73 73 ALA H H 73 8.340 8.759 -0.419 1
1 836 . 20 1 1 A 73 73 ALA HA H 73 3.820 3.976 -0.156 1
1 840 . 20 1 1 A 73 73 ALA CA C 73 55.600 55.404 0.196 1
1 841 . 20 1 1 A 73 73 ALA CB C 73 17.600 18.334 -0.734 1
1 842 . 20 1 1 A 73 73 ALA N N 73 122.000 120.828 1.172 1
1 843 . 20 1 1 A 74 74 MET H H 74 7.840 8.082 -0.242 1
1 844 . 20 1 1 A 74 74 MET HA H 74 3.830 4.079 -0.249 1
1 852 . 20 1 1 A 74 74 MET CA C 74 55.400 56.781 -1.381 1
1 853 . 20 1 1 A 74 74 MET CB C 74 27.800 30.546 -2.746 1
1 856 . 20 1 1 A 74 74 MET N N 74 113.400 116.804 -3.404 1
1 857 . 20 1 1 A 75 75 HIS H H 75 8.340 7.811 0.529 1
1 858 . 20 1 1 A 75 75 HIS HA H 75 4.510 4.375 0.135 1
1 863 . 20 1 1 A 75 75 HIS CA C 75 60.000 59.371 0.629 1
1 864 . 20 1 1 A 75 75 HIS CB C 75 31.400 29.811 1.589 1
1 867 . 20 1 1 A 75 75 HIS N N 75 120.200 120.965 -0.765 1
1 868 . 20 1 1 A 76 76 LEU H H 76 8.750 8.163 0.587 1
1 869 . 20 1 1 A 76 76 LEU HA H 76 3.670 3.767 -0.097 1
1 879 . 20 1 1 A 76 76 LEU CA C 76 57.700 57.710 -0.010 1
1 880 . 20 1 1 A 76 76 LEU CB C 76 41.400 41.044 0.356 1
1 884 . 20 1 1 A 76 76 LEU N N 76 118.600 119.253 -0.653 1
1 885 . 20 1 1 A 77 77 ILE H H 77 7.980 8.381 -0.401 1
1 886 . 20 1 1 A 77 77 ILE HA H 77 3.470 3.459 0.011 1
1 896 . 20 1 1 A 77 77 ILE CA C 77 66.000 64.483 1.517 1
1 897 . 20 1 1 A 77 77 ILE CB C 77 36.500 37.377 -0.877 1
1 901 . 20 1 1 A 77 77 ILE N N 77 120.900 120.061 0.839 1
1 902 . 20 1 1 A 78 78 ASP H H 78 7.490 8.385 -0.895 1
1 903 . 20 1 1 A 78 78 ASP HA H 78 4.300 4.338 -0.038 1
1 906 . 20 1 1 A 78 78 ASP CA C 78 57.900 57.557 0.343 1
1 907 . 20 1 1 A 78 78 ASP CB C 78 39.000 42.339 -3.339 1
1 908 . 20 1 1 A 78 78 ASP N N 78 121.500 120.503 0.997 1
1 909 . 20 1 1 A 79 79 VAL H H 79 8.380 7.417 0.963 1
1 910 . 20 1 1 A 79 79 VAL HA H 79 3.390 3.566 -0.176 1
1 918 . 20 1 1 A 79 79 VAL CA C 79 66.400 66.257 0.143 1
1 919 . 20 1 1 A 79 79 VAL CB C 79 31.700 31.433 0.267 1
1 922 . 20 1 1 A 79 79 VAL N N 79 122.400 119.163 3.237 1
1 923 . 20 1 1 A 80 80 ALA H H 80 8.730 8.695 0.035 1
1 924 . 20 1 1 A 80 80 ALA HA H 80 4.360 4.062 0.298 1
1 928 . 20 1 1 A 80 80 ALA CA C 80 54.800 55.370 -0.570 1
1 929 . 20 1 1 A 80 80 ALA CB C 80 18.100 17.939 0.161 1
1 930 . 20 1 1 A 80 80 ALA N N 80 125.200 122.172 3.028 1
1 931 . 20 1 1 A 81 81 MET H H 81 9.360 8.582 0.778 1
1 932 . 20 1 1 A 81 81 MET HA H 81 4.210 4.278 -0.068 1
1 940 . 20 1 1 A 81 81 MET CA C 81 57.800 56.899 0.901 1
1 941 . 20 1 1 A 81 81 MET CB C 81 31.800 32.021 -0.221 1
1 944 . 20 1 1 A 81 81 MET N N 81 119.600 117.214 2.386 1
1 945 . 20 1 1 A 82 82 SER H H 82 7.780 7.765 0.015 1
1 946 . 20 1 1 A 82 82 SER HA H 82 4.510 4.594 -0.084 1
1 949 . 20 1 1 A 82 82 SER CA C 82 59.500 58.069 1.431 1
1 950 . 20 1 1 A 82 82 SER CB C 82 64.000 63.373 0.627 1
1 951 . 20 1 1 A 82 82 SER N N 82 114.000 112.595 1.405 1
1 952 . 20 1 1 A 83 83 GLY H H 83 7.910 8.035 -0.125 1
1 953 . 20 1 1 A 83 83 GLY HA2 H 83 3.700 3.916 -0.216 1
1 954 . 20 1 1 A 83 83 GLY HA3 H 83 4.350 3.918 0.432 1
1 955 . 20 1 1 A 83 83 GLY CA C 83 44.900 45.745 -0.845 1
1 956 . 20 1 1 A 83 83 GLY N N 83 109.400 110.378 -0.978 1
1 957 . 20 1 1 A 84 84 GLN H H 84 7.100 7.846 -0.746 1
1 958 . 20 1 1 A 84 84 GLN HA H 84 4.530 4.506 0.024 1
1 965 . 20 1 1 A 84 84 GLN CA C 84 53.100 53.518 -0.418 1
1 966 . 20 1 1 A 84 84 GLN CB C 84 29.000 28.609 0.391 1
1 968 . 20 1 1 A 84 84 GLN N N 84 120.700 120.517 0.183 1
1 970 . 20 1 1 A 85 85 PRO HA H 85 4.360 4.667 -0.307 1
1 977 . 20 1 1 A 85 85 PRO CA C 85 61.800 62.449 -0.649 1
1 978 . 20 1 1 A 85 85 PRO CB C 85 31.800 32.473 -0.673 1
1 981 . 20 1 1 A 86 86 LEU H H 86 8.360 8.447 -0.087 1
1 982 . 20 1 1 A 86 86 LEU HA H 86 4.380 4.789 -0.409 1
1 992 . 20 1 1 A 86 86 LEU CA C 86 51.600 52.326 -0.726 1
1 993 . 20 1 1 A 86 86 LEU CB C 86 41.000 42.279 -1.279 1
1 997 . 20 1 1 A 86 86 LEU N N 86 121.700 122.984 -1.284 1
1 998 . 20 1 1 A 87 87 PRO HA H 87 4.740 4.683 0.057 1
1 1005 . 20 1 1 A 87 87 PRO CA C 87 60.800 61.595 -0.795 1
1 1006 . 20 1 1 A 87 87 PRO CB C 87 30.900 32.013 -1.113 1
1 1009 . 20 1 1 A 88 88 PRO HA H 88 4.330 4.321 0.009 1
1 1016 . 20 1 1 A 88 88 PRO CA C 88 63.900 65.052 -1.152 1
1 1017 . 20 1 1 A 88 88 PRO CB C 88 31.700 31.955 -0.255 1
1 1020 . 20 1 1 A 89 89 VAL H H 89 6.840 7.758 -0.918 1
1 1021 . 20 1 1 A 89 89 VAL HA H 89 4.030 4.616 -0.586 1
1 1029 . 20 1 1 A 89 89 VAL CA C 89 59.300 60.384 -1.084 1
1 1030 . 20 1 1 A 89 89 VAL CB C 89 35.500 35.073 0.427 1
1 1033 . 20 1 1 A 89 89 VAL N N 89 112.700 117.334 -4.634 1
1 1034 . 20 1 1 A 90 90 LEU H H 90 8.990 8.479 0.511 1
1 1035 . 20 1 1 A 90 90 LEU HA H 90 4.150 4.782 -0.632 1
1 1045 . 20 1 1 A 90 90 LEU CA C 90 53.500 51.976 1.524 1
1 1046 . 20 1 1 A 90 90 LEU CB C 90 42.200 44.460 -2.260 1
1 1050 . 20 1 1 A 90 90 LEU N N 90 127.800 127.265 0.535 1
1 1051 . 20 1 1 A 91 91 PRO HA H 91 4.830 4.592 0.238 1
1 1058 . 20 1 1 A 91 91 PRO CA C 91 61.100 61.959 -0.859 1
1 1059 . 20 1 1 A 91 91 PRO CB C 91 31.300 32.426 -1.126 1
1 1062 . 20 1 1 A 92 92 PRO HA H 92 4.230 4.268 -0.038 1
1 1069 . 20 1 1 A 92 92 PRO CA C 92 65.100 65.532 -0.432 1
1 1070 . 20 1 1 A 92 92 PRO CB C 92 31.800 32.004 -0.204 1
1 1073 . 20 1 1 A 93 93 GLU H H 93 10.180 8.617 1.563 1
1 1074 . 20 1 1 A 93 93 GLU HA H 93 4.300 4.250 0.050 1
1 1079 . 20 1 1 A 93 93 GLU CA C 93 58.700 58.733 -0.033 1
1 1080 . 20 1 1 A 93 93 GLU CB C 93 27.500 29.338 -1.838 1
1 1082 . 20 1 1 A 93 93 GLU N N 93 116.400 117.196 -0.796 1
1 1083 . 20 1 1 A 94 94 TYR H H 94 8.510 7.665 0.845 1
1 1084 . 20 1 1 A 94 94 TYR HA H 94 4.510 4.715 -0.205 1
1 1091 . 20 1 1 A 94 94 TYR CA C 94 60.100 59.779 0.321 1
1 1092 . 20 1 1 A 94 94 TYR CB C 94 39.600 38.922 0.678 1
1 1095 . 20 1 1 A 94 94 TYR N N 94 119.400 116.247 3.153 1
1 1096 . 20 1 1 A 95 95 ILE H H 95 7.800 7.686 0.114 1
1 1097 . 20 1 1 A 95 95 ILE HA H 95 3.940 4.274 -0.334 1
1 1107 . 20 1 1 A 95 95 ILE CA C 95 60.200 59.173 1.027 1
1 1108 . 20 1 1 A 95 95 ILE CB C 95 37.800 38.170 -0.370 1
1 1112 . 20 1 1 A 95 95 ILE N N 95 124.500 121.594 2.906 1
1 1113 . 20 1 1 A 96 96 PRO HA H 96 2.770 3.708 -0.938 1
1 1120 . 20 1 1 A 96 96 PRO CA C 96 60.700 61.029 -0.329 1
1 1121 . 20 1 1 A 96 96 PRO CB C 96 31.400 30.963 0.437 1
1 1124 . 20 1 1 A 97 97 PRO HA H 97 3.680 4.124 -0.444 1
1 1131 . 20 1 1 A 97 97 PRO CA C 97 65.900 63.545 2.355 1
1 1132 . 20 1 1 A 97 97 PRO CB C 97 32.100 32.118 -0.018 1
1 1135 . 20 1 1 A 98 98 SER H H 98 9.160 8.600 0.560 1
1 1136 . 20 1 1 A 98 98 SER HA H 98 3.980 3.986 -0.006 1
1 1139 . 20 1 1 A 98 98 SER CA C 98 60.900 60.530 0.370 1
1 1140 . 20 1 1 A 98 98 SER CB C 98 62.200 60.753 1.447 1
1 1141 . 20 1 1 A 98 98 SER N N 98 112.400 111.718 0.682 1
1 1142 . 20 1 1 A 99 99 PHE H H 99 7.950 8.383 -0.433 1
1 1143 . 20 1 1 A 99 99 PHE HA H 99 4.470 4.399 0.071 1
1 1151 . 20 1 1 A 99 99 PHE CA C 99 58.500 61.007 -2.507 1
1 1152 . 20 1 1 A 99 99 PHE CB C 99 40.100 38.038 2.062 1
1 1156 . 20 1 1 A 99 99 PHE N N 99 118.800 118.403 0.397 1
1 1157 . 20 1 1 A 100 100 ARG H H 100 7.350 7.854 -0.504 1
1 1158 . 20 1 1 A 100 100 ARG HA H 100 4.270 4.329 -0.059 1
1 1165 . 20 1 1 A 100 100 ARG CA C 100 56.600 58.030 -1.430 1
1 1166 . 20 1 1 A 100 100 ARG CB C 100 30.300 30.366 -0.066 1
1 1169 . 20 1 1 A 100 100 ARG N N 100 120.200 118.535 1.665 1
1 1170 . 20 1 1 A 101 101 ARG H H 101 8.180 7.587 0.593 1
1 1171 . 20 1 1 A 101 101 ARG HA H 101 4.270 4.495 -0.225 1
1 1177 . 20 1 1 A 101 101 ARG CA C 101 56.700 55.303 1.397 1
1 1178 . 20 1 1 A 101 101 ARG CB C 101 30.700 29.958 0.742 1
1 1181 . 20 1 1 A 101 101 ARG N N 101 121.100 119.576 1.524 1
1 1182 . 20 1 1 A 102 102 VAL H H 102 8.160 8.775 -0.615 1
1 1183 . 20 1 1 A 102 102 VAL HA H 102 4.080 4.403 -0.323 1
1 1191 . 20 1 1 A 102 102 VAL CA C 102 62.500 60.956 1.544 1
1 1192 . 20 1 1 A 102 102 VAL CB C 102 32.700 31.879 0.821 1
1 1195 . 20 1 1 A 102 102 VAL N N 102 121.500 125.388 -3.888 1
1 1196 . 20 1 1 A 103 103 ARG H H 103 7.920 8.234 -0.314 1
1 1197 . 20 1 1 A 103 103 ARG HA H 103 4.160 3.867 0.293 1
1 1204 . 20 1 1 A 103 103 ARG CA C 103 57.300 56.973 0.327 1
1 1205 . 20 1 1 A 103 103 ARG CB C 103 31.600 28.336 3.264 1
1 1208 . 20 1 1 A 103 103 ARG N N 103 129.400 121.747 7.653 1
1 1209 . 20 1 1 A 104 104 LEU H H 104 8.190 7.915 0.275 1
1 1210 . 20 1 1 A 104 104 LEU N N 104 122.800 120.102 2.698 1
1 1211 . 20 1 1 A 105 105 GLU H H 105 8.220 8.714 -0.494 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 102 1.167 1
3 1 1 1 "RMS(OBS, PRED)" CB 98 1.432 1
4 1 1 1 "RMS(OBS, PRED)" H 91 0.677 1
5 1 1 1 "RMS(OBS, PRED)" HA 106 0.353 1
6 1 1 1 "RMS(OBS, PRED)" N 90 2.739 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 102 1.212 1
9 1 2 1 "RMS(OBS, PRED)" CB 98 1.517 1
10 1 2 1 "RMS(OBS, PRED)" H 91 0.738 1
11 1 2 1 "RMS(OBS, PRED)" HA 106 0.349 1
12 1 2 1 "RMS(OBS, PRED)" N 90 2.860 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 102 1.181 1
15 1 3 1 "RMS(OBS, PRED)" CB 98 1.355 1
16 1 3 1 "RMS(OBS, PRED)" H 91 0.694 1
17 1 3 1 "RMS(OBS, PRED)" HA 106 0.326 1
18 1 3 1 "RMS(OBS, PRED)" N 90 2.698 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 102 1.135 1
21 1 4 1 "RMS(OBS, PRED)" CB 98 1.288 1
22 1 4 1 "RMS(OBS, PRED)" H 91 0.671 1
23 1 4 1 "RMS(OBS, PRED)" HA 106 0.309 1
24 1 4 1 "RMS(OBS, PRED)" N 90 2.840 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 102 1.282 1
27 1 5 1 "RMS(OBS, PRED)" CB 98 1.400 1
28 1 5 1 "RMS(OBS, PRED)" H 91 0.729 1
29 1 5 1 "RMS(OBS, PRED)" HA 106 0.337 1
30 1 5 1 "RMS(OBS, PRED)" N 90 2.686 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 102 1.228 1
33 1 6 1 "RMS(OBS, PRED)" CB 98 1.593 1
34 1 6 1 "RMS(OBS, PRED)" H 91 0.677 1
35 1 6 1 "RMS(OBS, PRED)" HA 106 0.328 1
36 1 6 1 "RMS(OBS, PRED)" N 90 2.743 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 102 1.232 1
39 1 7 1 "RMS(OBS, PRED)" CB 98 1.550 1
40 1 7 1 "RMS(OBS, PRED)" H 91 0.691 1
41 1 7 1 "RMS(OBS, PRED)" HA 106 0.357 1
42 1 7 1 "RMS(OBS, PRED)" N 90 2.640 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 102 1.253 1
45 1 8 1 "RMS(OBS, PRED)" CB 98 1.281 1
46 1 8 1 "RMS(OBS, PRED)" H 91 0.738 1
47 1 8 1 "RMS(OBS, PRED)" HA 106 0.367 1
48 1 8 1 "RMS(OBS, PRED)" N 90 2.763 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 102 1.287 1
51 1 9 1 "RMS(OBS, PRED)" CB 98 1.548 1
52 1 9 1 "RMS(OBS, PRED)" H 91 0.665 1
53 1 9 1 "RMS(OBS, PRED)" HA 106 0.318 1
54 1 9 1 "RMS(OBS, PRED)" N 90 2.733 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 102 1.344 1
57 1 10 1 "RMS(OBS, PRED)" CB 98 1.430 1
58 1 10 1 "RMS(OBS, PRED)" H 91 0.743 1
59 1 10 1 "RMS(OBS, PRED)" HA 106 0.362 1
60 1 10 1 "RMS(OBS, PRED)" N 90 2.624 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 102 1.255 1
63 1 11 1 "RMS(OBS, PRED)" CB 98 1.324 1
64 1 11 1 "RMS(OBS, PRED)" H 91 0.726 1
65 1 11 1 "RMS(OBS, PRED)" HA 106 0.336 1
66 1 11 1 "RMS(OBS, PRED)" N 90 2.575 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 102 1.253 1
69 1 12 1 "RMS(OBS, PRED)" CB 98 1.431 1
70 1 12 1 "RMS(OBS, PRED)" H 91 0.666 1
71 1 12 1 "RMS(OBS, PRED)" HA 106 0.314 1
72 1 12 1 "RMS(OBS, PRED)" N 90 2.573 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 102 1.153 1
75 1 13 1 "RMS(OBS, PRED)" CB 98 1.340 1
76 1 13 1 "RMS(OBS, PRED)" H 91 0.609 1
77 1 13 1 "RMS(OBS, PRED)" HA 106 0.316 1
78 1 13 1 "RMS(OBS, PRED)" N 90 2.913 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 102 1.274 1
81 1 14 1 "RMS(OBS, PRED)" CB 98 1.451 1
82 1 14 1 "RMS(OBS, PRED)" H 91 0.676 1
83 1 14 1 "RMS(OBS, PRED)" HA 106 0.373 1
84 1 14 1 "RMS(OBS, PRED)" N 90 2.543 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 102 1.112 1
87 1 15 1 "RMS(OBS, PRED)" CB 98 1.392 1
88 1 15 1 "RMS(OBS, PRED)" H 91 0.709 1
89 1 15 1 "RMS(OBS, PRED)" HA 106 0.325 1
90 1 15 1 "RMS(OBS, PRED)" N 90 2.946 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 102 1.159 1
93 1 16 1 "RMS(OBS, PRED)" CB 98 1.572 1
94 1 16 1 "RMS(OBS, PRED)" H 91 0.689 1
95 1 16 1 "RMS(OBS, PRED)" HA 106 0.339 1
96 1 16 1 "RMS(OBS, PRED)" N 90 2.583 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 102 1.133 1
99 1 17 1 "RMS(OBS, PRED)" CB 98 1.458 1
100 1 17 1 "RMS(OBS, PRED)" H 91 0.687 1
101 1 17 1 "RMS(OBS, PRED)" HA 106 0.326 1
102 1 17 1 "RMS(OBS, PRED)" N 90 2.872 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 102 1.196 1
105 1 18 1 "RMS(OBS, PRED)" CB 98 1.481 1
106 1 18 1 "RMS(OBS, PRED)" H 91 0.689 1
107 1 18 1 "RMS(OBS, PRED)" HA 106 0.311 1
108 1 18 1 "RMS(OBS, PRED)" N 90 2.366 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 102 1.225 1
111 1 19 1 "RMS(OBS, PRED)" CB 98 1.351 1
112 1 19 1 "RMS(OBS, PRED)" H 91 0.670 1
113 1 19 1 "RMS(OBS, PRED)" HA 106 0.339 1
114 1 19 1 "RMS(OBS, PRED)" N 90 2.618 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 102 1.259 1
117 1 20 1 "RMS(OBS, PRED)" CB 98 1.453 1
118 1 20 1 "RMS(OBS, PRED)" H 91 0.747 1
119 1 20 1 "RMS(OBS, PRED)" HA 106 0.340 1
120 1 20 1 "RMS(OBS, PRED)" N 90 2.688 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 8 . 1 1 A 2 2 PRO HA H 2 4.430 4.558 -0.128 2
1 15 . 1 1 A 2 2 PRO CA C 2 62.800 62.783 0.017 2
1 16 . 1 1 A 2 2 PRO CB C 2 31.900 31.806 0.094 2
1 19 . 1 1 A 3 3 VAL H H 3 8.130 8.466 -0.336 2
1 20 . 1 1 A 3 3 VAL HA H 3 4.030 4.199 -0.169 2
1 28 . 1 1 A 3 3 VAL CA C 3 62.200 61.980 0.220 2
1 29 . 1 1 A 3 3 VAL CB C 3 32.700 31.685 1.015 2
1 32 . 1 1 A 3 3 VAL N N 3 120.100 121.872 -1.772 2
1 33 . 1 1 A 4 4 ALA H H 4 8.330 8.470 -0.140 2
1 34 . 1 1 A 4 4 ALA HA H 4 4.310 4.488 -0.178 2
1 38 . 1 1 A 4 4 ALA CA C 4 52.100 51.921 0.179 2
1 39 . 1 1 A 4 4 ALA CB C 4 19.400 19.433 -0.033 2
1 40 . 1 1 A 4 4 ALA N N 4 127.300 128.290 -0.990 2
1 41 . 1 1 A 5 5 GLU H H 5 8.290 8.572 -0.282 2
1 42 . 1 1 A 5 5 GLU HA H 5 4.290 4.499 -0.209 2
1 47 . 1 1 A 5 5 GLU CA C 5 56.100 56.383 -0.283 2
1 48 . 1 1 A 5 5 GLU CB C 5 30.500 30.231 0.269 2
1 50 . 1 1 A 5 5 GLU N N 5 121.000 119.536 1.464 2
1 51 . 1 1 A 6 6 TRP H H 6 8.670 8.549 0.121 2
1 52 . 1 1 A 6 6 TRP HA H 6 5.020 4.918 0.102 2
1 61 . 1 1 A 6 6 TRP CA C 6 54.500 57.082 -2.582 2
1 62 . 1 1 A 6 6 TRP CB C 6 30.100 29.972 0.128 2
1 68 . 1 1 A 6 6 TRP N N 6 124.900 125.287 -0.387 2
1 70 . 1 1 A 7 7 ALA H H 7 7.850 9.022 -1.172 2
1 71 . 1 1 A 7 7 ALA HA H 7 3.790 4.123 -0.333 2
1 75 . 1 1 A 7 7 ALA CA C 7 53.200 52.160 1.040 2
1 76 . 1 1 A 7 7 ALA CB C 7 18.000 17.417 0.583 2
1 77 . 1 1 A 7 7 ALA N N 7 128.000 128.814 -0.814 2
1 78 . 1 1 A 8 8 VAL H H 8 5.280 7.437 -2.157 2
1 79 . 1 1 A 8 8 VAL HA H 8 2.850 4.049 -1.199 2
1 87 . 1 1 A 8 8 VAL CA C 8 59.700 58.036 1.664 2
1 88 . 1 1 A 8 8 VAL CB C 8 31.600 33.807 -2.208 2
1 91 . 1 1 A 8 8 VAL N N 8 117.000 119.405 -2.405 2
1 92 . 1 1 A 9 9 PRO HA H 9 4.340 4.407 -0.067 2
1 99 . 1 1 A 9 9 PRO CA C 9 62.800 63.087 -0.287 2
1 100 . 1 1 A 9 9 PRO CB C 9 32.400 32.498 -0.098 2
1 103 . 1 1 A 10 10 GLN HA H 10 3.710 3.935 -0.225 2
1 110 . 1 1 A 10 10 GLN CA C 10 60.100 58.952 1.148 2
1 111 . 1 1 A 10 10 GLN CB C 10 28.000 28.358 -0.358 2
1 114 . 1 1 A 11 11 SER HA H 11 4.070 4.140 -0.070 2
1 117 . 1 1 A 11 11 SER CA C 11 61.400 61.780 -0.380 2
1 118 . 1 1 A 11 11 SER CB C 11 61.400 62.661 -1.261 2
1 119 . 1 1 A 12 12 SER H H 12 7.070 8.010 -0.940 2
1 120 . 1 1 A 12 12 SER HA H 12 3.990 4.055 -0.065 2
1 123 . 1 1 A 12 12 SER CA C 12 61.500 61.255 0.245 2
1 124 . 1 1 A 12 12 SER CB C 12 61.500 62.867 -1.367 2
1 125 . 1 1 A 12 12 SER N N 12 119.300 117.004 2.295 2
1 126 . 1 1 A 13 13 ARG H H 13 8.000 8.074 -0.074 2
1 127 . 1 1 A 13 13 ARG HA H 13 3.930 4.101 -0.171 2
1 134 . 1 1 A 13 13 ARG CA C 13 59.800 58.888 0.912 2
1 135 . 1 1 A 13 13 ARG CB C 13 30.300 29.752 0.548 2
1 138 . 1 1 A 13 13 ARG N N 13 121.600 120.719 0.881 2
1 139 . 1 1 A 14 14 LEU H H 14 7.710 8.296 -0.587 2
1 140 . 1 1 A 14 14 LEU HA H 14 4.120 4.019 0.101 2
1 150 . 1 1 A 14 14 LEU CA C 14 57.900 57.893 0.007 2
1 151 . 1 1 A 14 14 LEU CB C 14 41.900 41.440 0.460 2
1 155 . 1 1 A 14 14 LEU N N 14 117.100 120.507 -3.407 2
1 156 . 1 1 A 15 15 LYS H H 15 7.450 7.895 -0.445 2
1 157 . 1 1 A 15 15 LYS HA H 15 4.050 3.945 0.105 2
1 166 . 1 1 A 15 15 LYS CA C 15 59.100 58.992 0.108 2
1 167 . 1 1 A 15 15 LYS CB C 15 33.000 32.041 0.959 2
1 171 . 1 1 A 15 15 LYS N N 15 118.800 120.473 -1.673 2
1 172 . 1 1 A 16 16 TYR H H 16 8.640 7.573 1.067 2
1 173 . 1 1 A 16 16 TYR HA H 16 5.130 4.543 0.587 2
1 180 . 1 1 A 16 16 TYR CA C 16 58.900 60.935 -2.035 2
1 181 . 1 1 A 16 16 TYR CB C 16 37.100 38.353 -1.253 2
1 184 . 1 1 A 16 16 TYR N N 16 117.800 118.257 -0.457 2
1 185 . 1 1 A 17 17 ARG H H 17 8.470 8.481 -0.011 2
1 186 . 1 1 A 17 17 ARG HA H 17 4.230 4.136 0.094 2
1 193 . 1 1 A 17 17 ARG CA C 17 59.700 59.217 0.484 2
1 194 . 1 1 A 17 17 ARG CB C 17 29.800 29.672 0.128 2
1 197 . 1 1 A 17 17 ARG N N 17 124.000 122.140 1.860 2
1 198 . 1 1 A 18 18 GLN H H 18 7.740 7.794 -0.054 2
1 199 . 1 1 A 18 18 GLN HA H 18 4.190 4.248 -0.058 2
1 206 . 1 1 A 18 18 GLN CA C 18 59.300 57.664 1.636 2
1 207 . 1 1 A 18 18 GLN CB C 18 27.900 28.995 -1.095 2
1 209 . 1 1 A 18 18 GLN N N 18 118.000 116.932 1.068 2
1 211 . 1 1 A 19 19 LEU H H 19 7.770 7.867 -0.097 2
1 212 . 1 1 A 19 19 LEU HA H 19 4.400 4.617 -0.217 2
1 222 . 1 1 A 19 19 LEU CA C 19 58.000 53.920 4.080 2
1 223 . 1 1 A 19 19 LEU CB C 19 42.800 42.995 -0.195 2
1 227 . 1 1 A 19 19 LEU N N 19 120.500 121.306 -0.806 2
1 228 . 1 1 A 20 20 PHE H H 20 8.710 7.773 0.937 2
1 229 . 1 1 A 20 20 PHE HA H 20 3.330 3.684 -0.354 2
1 237 . 1 1 A 20 20 PHE CA C 20 62.400 61.898 0.502 2
1 238 . 1 1 A 20 20 PHE CB C 20 38.500 39.161 -0.661 2
1 242 . 1 1 A 20 20 PHE N N 20 121.900 122.111 -0.211 2
1 243 . 1 1 A 21 21 ASN H H 21 8.770 8.980 -0.210 2
1 244 . 1 1 A 21 21 ASN HA H 21 4.380 4.467 -0.087 2
1 249 . 1 1 A 21 21 ASN CA C 21 55.400 56.514 -1.114 2
1 250 . 1 1 A 21 21 ASN CB C 21 37.600 39.351 -1.751 2
1 251 . 1 1 A 21 21 ASN N N 21 117.300 117.656 -0.356 2
1 253 . 1 1 A 22 22 SER H H 22 7.900 8.684 -0.784 2
1 254 . 1 1 A 22 22 SER HA H 22 4.180 4.188 -0.008 2
1 257 . 1 1 A 22 22 SER CA C 22 60.700 61.224 -0.524 2
1 258 . 1 1 A 22 22 SER CB C 22 62.900 63.088 -0.188 2
1 259 . 1 1 A 22 22 SER N N 22 114.800 115.213 -0.413 2
1 260 . 1 1 A 23 23 HIS H H 23 7.310 8.234 -0.924 2
1 261 . 1 1 A 23 23 HIS HA H 23 4.480 4.492 -0.012 2
1 266 . 1 1 A 23 23 HIS CA C 23 58.000 56.761 1.239 2
1 267 . 1 1 A 23 23 HIS CB C 23 32.400 30.239 2.161 2
1 270 . 1 1 A 23 23 HIS N N 23 118.900 116.758 2.142 2
1 271 . 1 1 A 24 24 ASP H H 24 7.870 7.669 0.201 2
1 272 . 1 1 A 24 24 ASP HA H 24 4.850 4.444 0.406 2
1 275 . 1 1 A 24 24 ASP CA C 24 52.100 53.738 -1.638 2
1 276 . 1 1 A 24 24 ASP CB C 24 38.500 42.032 -3.532 2
1 277 . 1 1 A 24 24 ASP N N 24 122.400 120.473 1.927 2
1 278 . 1 1 A 25 25 LYS H H 25 7.900 8.562 -0.662 2
1 279 . 1 1 A 25 25 LYS HA H 25 4.070 4.465 -0.395 2
1 288 . 1 1 A 25 25 LYS CA C 25 58.600 56.472 2.128 2
1 289 . 1 1 A 25 25 LYS CB C 25 32.600 33.015 -0.415 2
1 293 . 1 1 A 25 25 LYS N N 25 122.400 122.290 0.110 2
1 294 . 1 1 A 26 26 THR H H 26 8.120 7.865 0.255 2
1 295 . 1 1 A 26 26 THR HA H 26 4.340 4.484 -0.144 2
1 300 . 1 1 A 26 26 THR CA C 26 61.000 61.708 -0.708 2
1 301 . 1 1 A 26 26 THR CB C 26 69.100 69.352 -0.252 2
1 303 . 1 1 A 26 26 THR N N 26 106.400 111.366 -4.966 2
1 304 . 1 1 A 27 27 MET H H 27 8.030 8.217 -0.187 2
1 305 . 1 1 A 27 27 MET HA H 27 3.980 4.575 -0.595 2
1 310 . 1 1 A 27 27 MET CA C 27 56.600 55.438 1.162 2
1 311 . 1 1 A 27 27 MET CB C 27 29.100 33.051 -3.951 2
1 313 . 1 1 A 27 27 MET N N 27 119.600 121.554 -1.954 2
1 314 . 1 1 A 28 28 SER H H 28 9.520 8.422 1.098 2
1 315 . 1 1 A 28 28 SER HA H 28 4.250 4.428 -0.178 2
1 318 . 1 1 A 28 28 SER CA C 28 60.500 59.094 1.406 2
1 319 . 1 1 A 28 28 SER CB C 28 64.400 62.989 1.411 2
1 320 . 1 1 A 28 28 SER N N 28 118.600 116.075 2.525 2
1 321 . 1 1 A 29 29 GLY H H 29 10.710 8.633 2.077 2
1 322 . 1 1 A 29 29 GLY HA2 H 29 4.380 3.929 0.451 2
1 323 . 1 1 A 29 29 GLY HA3 H 29 3.690 4.029 -0.339 2
1 324 . 1 1 A 29 29 GLY CA C 29 45.200 45.815 -0.615 2
1 325 . 1 1 A 29 29 GLY N N 29 113.800 110.000 3.800 2
1 326 . 1 1 A 30 30 HIS H H 30 7.870 7.966 -0.097 2
1 327 . 1 1 A 30 30 HIS HA H 30 5.520 5.209 0.311 2
1 332 . 1 1 A 30 30 HIS CA C 30 55.800 55.132 0.668 2
1 333 . 1 1 A 30 30 HIS CB C 30 32.800 30.933 1.867 2
1 336 . 1 1 A 30 30 HIS N N 30 115.700 115.592 0.108 2
1 337 . 1 1 A 31 31 LEU H H 31 9.140 9.690 -0.550 2
1 338 . 1 1 A 31 31 LEU HA H 31 4.840 4.902 -0.062 2
1 348 . 1 1 A 31 31 LEU CA C 31 52.900 53.792 -0.892 2
1 349 . 1 1 A 31 31 LEU CB C 31 44.200 44.016 0.184 2
1 353 . 1 1 A 31 31 LEU N N 31 117.200 121.653 -4.453 2
1 354 . 1 1 A 32 32 THR H H 32 8.680 8.738 -0.058 2
1 355 . 1 1 A 32 32 THR HA H 32 4.340 4.785 -0.446 2
1 360 . 1 1 A 32 32 THR CA C 32 61.500 60.706 0.794 2
1 361 . 1 1 A 32 32 THR CB C 32 70.200 71.308 -1.108 2
1 363 . 1 1 A 32 32 THR N N 32 113.400 115.097 -1.697 2
1 364 . 1 1 A 33 33 GLY H H 33 9.090 8.846 0.244 2
1 365 . 1 1 A 33 33 GLY HA2 H 33 3.970 3.890 0.080 2
1 366 . 1 1 A 33 33 GLY HA3 H 33 4.070 4.138 -0.068 2
1 367 . 1 1 A 33 33 GLY CA C 33 49.300 48.341 0.959 2
1 368 . 1 1 A 33 33 GLY N N 33 108.000 109.877 -1.877 2
1 369 . 1 1 A 34 34 PRO HA H 34 4.110 4.185 -0.075 2
1 376 . 1 1 A 34 34 PRO CA C 34 65.400 65.559 -0.159 2
1 377 . 1 1 A 34 34 PRO CB C 34 32.200 30.958 1.242 2
1 380 . 1 1 A 35 35 GLN H H 35 7.240 8.144 -0.904 2
1 381 . 1 1 A 35 35 GLN HA H 35 4.040 4.052 -0.012 2
1 388 . 1 1 A 35 35 GLN CA C 35 58.200 59.307 -1.107 2
1 389 . 1 1 A 35 35 GLN CB C 35 29.800 28.367 1.433 2
1 391 . 1 1 A 35 35 GLN N N 35 116.700 117.419 -0.719 2
1 393 . 1 1 A 36 36 ALA H H 36 9.180 8.635 0.545 2
1 394 . 1 1 A 36 36 ALA HA H 36 4.080 4.291 -0.211 2
1 398 . 1 1 A 36 36 ALA CA C 36 54.900 55.485 -0.585 2
1 399 . 1 1 A 36 36 ALA CB C 36 18.900 18.492 0.408 2
1 400 . 1 1 A 36 36 ALA N N 36 120.000 122.560 -2.560 2
1 401 . 1 1 A 37 37 ARG H H 37 9.060 8.523 0.537 2
1 402 . 1 1 A 37 37 ARG HA H 37 3.860 4.023 -0.163 2
1 409 . 1 1 A 37 37 ARG CA C 37 61.000 59.532 1.468 2
1 410 . 1 1 A 37 37 ARG CB C 37 29.900 29.926 -0.026 2
1 413 . 1 1 A 37 37 ARG N N 37 117.200 117.572 -0.372 2
1 414 . 1 1 A 38 38 THR H H 38 7.620 8.177 -0.557 2
1 415 . 1 1 A 38 38 THR HA H 38 3.920 3.980 -0.060 2
1 420 . 1 1 A 38 38 THR CA C 38 66.900 67.014 -0.114 2
1 421 . 1 1 A 38 38 THR CB C 38 68.800 68.157 0.643 2
1 423 . 1 1 A 38 38 THR N N 38 114.600 118.153 -3.553 2
1 424 . 1 1 A 39 39 ILE H H 39 7.180 7.597 -0.417 2
1 425 . 1 1 A 39 39 ILE HA H 39 3.730 3.752 -0.022 2
1 435 . 1 1 A 39 39 ILE CA C 39 64.900 64.211 0.689 2
1 436 . 1 1 A 39 39 ILE CB C 39 39.000 37.495 1.506 2
1 440 . 1 1 A 39 39 ILE N N 39 121.500 121.482 0.018 2
1 441 . 1 1 A 40 40 LEU H H 40 8.480 8.326 0.154 2
1 442 . 1 1 A 40 40 LEU HA H 40 3.870 3.897 -0.027 2
1 452 . 1 1 A 40 40 LEU CA C 40 58.500 57.900 0.600 2
1 453 . 1 1 A 40 40 LEU CB C 40 40.800 41.405 -0.605 2
1 457 . 1 1 A 40 40 LEU N N 40 119.900 120.214 -0.314 2
1 458 . 1 1 A 41 41 MET H H 41 8.160 8.473 -0.313 2
1 459 . 1 1 A 41 41 MET HA H 41 4.200 4.233 -0.033 2
1 464 . 1 1 A 41 41 MET CA C 41 57.700 57.847 -0.147 2
1 465 . 1 1 A 41 41 MET CB C 41 32.500 31.874 0.626 2
1 467 . 1 1 A 41 41 MET N N 41 115.300 117.618 -2.318 2
1 468 . 1 1 A 42 42 GLN H H 42 7.600 7.603 -0.003 2
1 469 . 1 1 A 42 42 GLN HA H 42 4.230 4.252 -0.022 2
1 476 . 1 1 A 42 42 GLN CA C 42 57.200 57.853 -0.653 2
1 477 . 1 1 A 42 42 GLN CB C 42 27.900 28.388 -0.488 2
1 479 . 1 1 A 42 42 GLN N N 42 118.900 118.869 0.031 2
1 481 . 1 1 A 43 43 SER H H 43 7.670 7.593 0.077 2
1 482 . 1 1 A 43 43 SER HA H 43 4.300 4.405 -0.105 2
1 485 . 1 1 A 43 43 SER CA C 43 59.800 59.403 0.397 2
1 486 . 1 1 A 43 43 SER CB C 43 65.200 63.877 1.323 2
1 487 . 1 1 A 43 43 SER N N 43 113.900 114.043 -0.143 2
1 488 . 1 1 A 44 44 SER H H 44 8.040 7.951 0.089 2
1 489 . 1 1 A 44 44 SER HA H 44 4.300 4.247 0.053 2
1 492 . 1 1 A 44 44 SER CA C 44 59.400 59.323 0.077 2
1 493 . 1 1 A 44 44 SER CB C 44 62.500 62.214 0.286 2
1 494 . 1 1 A 44 44 SER N N 44 113.500 113.481 0.020 2
1 495 . 1 1 A 45 45 LEU H H 45 7.430 7.614 -0.184 2
1 496 . 1 1 A 45 45 LEU HA H 45 4.470 4.442 0.028 2
1 506 . 1 1 A 45 45 LEU CA C 45 53.300 53.027 0.273 2
1 507 . 1 1 A 45 45 LEU CB C 45 41.700 41.474 0.226 2
1 511 . 1 1 A 45 45 LEU N N 45 121.900 121.980 -0.080 2
1 512 . 1 1 A 46 46 PRO HA H 46 4.460 4.556 -0.096 2
1 519 . 1 1 A 46 46 PRO CA C 46 62.500 62.758 -0.258 2
1 520 . 1 1 A 46 46 PRO CB C 46 32.500 32.588 -0.088 2
1 523 . 1 1 A 47 47 GLN H H 47 8.820 8.808 0.012 2
1 524 . 1 1 A 47 47 GLN HA H 47 3.870 3.940 -0.070 2
1 531 . 1 1 A 47 47 GLN CA C 47 59.600 58.911 0.688 2
1 532 . 1 1 A 47 47 GLN CB C 47 28.100 28.211 -0.111 2
1 534 . 1 1 A 47 47 GLN N N 47 123.400 122.702 0.698 2
1 536 . 1 1 A 48 48 ALA H H 48 9.000 8.265 0.735 2
1 537 . 1 1 A 48 48 ALA HA H 48 4.150 4.061 0.089 2
1 541 . 1 1 A 48 48 ALA CA C 48 55.200 55.200 -0.000 2
1 542 . 1 1 A 48 48 ALA CB C 48 18.200 18.283 -0.083 2
1 543 . 1 1 A 48 48 ALA N N 48 119.800 122.304 -2.504 2
1 544 . 1 1 A 49 49 GLN H H 49 7.190 7.999 -0.809 2
1 545 . 1 1 A 49 49 GLN HA H 49 4.230 4.046 0.184 2
1 552 . 1 1 A 49 49 GLN CA C 49 58.600 58.763 -0.163 2
1 553 . 1 1 A 49 49 GLN CB C 49 29.400 28.319 1.081 2
1 555 . 1 1 A 49 49 GLN N N 49 115.800 117.538 -1.738 2
1 557 . 1 1 A 50 50 LEU H H 50 7.800 8.260 -0.460 2
1 558 . 1 1 A 50 50 LEU HA H 50 3.930 4.000 -0.070 2
1 568 . 1 1 A 50 50 LEU CA C 50 57.900 57.944 -0.044 2
1 569 . 1 1 A 50 50 LEU CB C 50 41.100 41.511 -0.411 2
1 573 . 1 1 A 50 50 LEU N N 50 119.800 120.475 -0.675 2
1 574 . 1 1 A 51 51 ALA H H 51 8.410 8.727 -0.317 2
1 575 . 1 1 A 51 51 ALA HA H 51 4.210 4.096 0.114 2
1 579 . 1 1 A 51 51 ALA CA C 51 55.100 55.301 -0.201 2
1 580 . 1 1 A 51 51 ALA CB C 51 17.500 17.899 -0.399 2
1 581 . 1 1 A 51 51 ALA N N 51 122.600 122.585 0.015 2
1 582 . 1 1 A 52 52 SER H H 52 7.530 7.676 -0.146 2
1 583 . 1 1 A 52 52 SER HA H 52 4.310 4.204 0.106 2
1 586 . 1 1 A 52 52 SER CA C 52 62.200 61.762 0.438 2
1 587 . 1 1 A 52 52 SER CB C 52 62.600 63.061 -0.461 2
1 588 . 1 1 A 52 52 SER N N 52 115.300 113.387 1.913 2
1 589 . 1 1 A 53 53 ILE H H 53 8.270 8.222 0.048 2
1 590 . 1 1 A 53 53 ILE HA H 53 3.430 3.672 -0.242 2
1 600 . 1 1 A 53 53 ILE CA C 53 66.300 65.029 1.271 2
1 601 . 1 1 A 53 53 ILE CB C 53 37.900 37.598 0.302 2
1 605 . 1 1 A 53 53 ILE N N 53 122.000 121.388 0.612 2
1 606 . 1 1 A 54 54 TRP H H 54 8.480 8.497 -0.017 2
1 607 . 1 1 A 54 54 TRP HA H 54 3.720 4.130 -0.410 2
1 616 . 1 1 A 54 54 TRP CA C 54 61.400 60.711 0.689 2
1 617 . 1 1 A 54 54 TRP CB C 54 28.100 29.409 -1.309 2
1 623 . 1 1 A 54 54 TRP N N 54 122.100 121.764 0.336 2
1 625 . 1 1 A 55 55 ASN H H 55 7.860 8.557 -0.697 2
1 626 . 1 1 A 55 55 ASN HA H 55 4.350 4.490 -0.140 2
1 631 . 1 1 A 55 55 ASN CA C 55 55.900 56.449 -0.549 2
1 632 . 1 1 A 55 55 ASN CB C 55 38.500 40.021 -1.521 2
1 633 . 1 1 A 55 55 ASN N N 55 113.900 118.012 -4.112 2
1 635 . 1 1 A 56 56 LEU H H 56 8.020 8.145 -0.125 2
1 636 . 1 1 A 56 56 LEU HA H 56 3.990 4.076 -0.086 2
1 646 . 1 1 A 56 56 LEU CA C 56 56.700 57.676 -0.976 2
1 647 . 1 1 A 56 56 LEU CB C 56 43.900 41.375 2.525 2
1 651 . 1 1 A 56 56 LEU N N 56 117.500 119.551 -2.051 2
1 652 . 1 1 A 57 57 SER H H 57 7.280 7.766 -0.486 2
1 653 . 1 1 A 57 57 SER HA H 57 4.290 4.222 0.068 2
1 656 . 1 1 A 57 57 SER CA C 57 61.100 60.687 0.413 2
1 657 . 1 1 A 57 57 SER CB C 57 64.000 63.040 0.960 2
1 658 . 1 1 A 57 57 SER N N 57 111.100 113.096 -1.996 2
1 659 . 1 1 A 58 58 ASP H H 58 7.030 7.759 -0.729 2
1 660 . 1 1 A 58 58 ASP HA H 58 4.650 4.275 0.375 2
1 663 . 1 1 A 58 58 ASP CA C 58 51.400 53.670 -2.270 2
1 664 . 1 1 A 58 58 ASP CB C 58 37.200 40.847 -3.647 2
1 665 . 1 1 A 58 58 ASP N N 58 115.600 120.038 -4.438 2
1 666 . 1 1 A 59 59 ILE H H 59 8.630 8.179 0.451 2
1 667 . 1 1 A 59 59 ILE HA H 59 3.260 3.915 -0.655 2
1 677 . 1 1 A 59 59 ILE CA C 59 62.900 63.716 -0.816 2
1 678 . 1 1 A 59 59 ILE CB C 59 36.600 38.129 -1.529 2
1 682 . 1 1 A 59 59 ILE N N 59 128.500 125.886 2.614 2
1 683 . 1 1 A 60 60 ASP H H 60 7.960 7.684 0.276 2
1 684 . 1 1 A 60 60 ASP HA H 60 4.480 4.780 -0.300 2
1 687 . 1 1 A 60 60 ASP CA C 60 52.300 53.824 -1.524 2
1 688 . 1 1 A 60 60 ASP CB C 60 39.100 41.487 -2.387 2
1 689 . 1 1 A 60 60 ASP N N 60 113.200 119.219 -6.019 2
1 690 . 1 1 A 61 61 GLN H H 61 7.550 7.976 -0.426 2
1 691 . 1 1 A 61 61 GLN HA H 61 3.800 4.209 -0.409 2
1 698 . 1 1 A 61 61 GLN CA C 61 57.100 56.567 0.533 2
1 699 . 1 1 A 61 61 GLN CB C 61 26.400 27.080 -0.680 2
1 701 . 1 1 A 61 61 GLN N N 61 113.800 116.839 -3.039 2
1 703 . 1 1 A 62 62 ASP H H 62 8.390 8.222 0.168 2
1 704 . 1 1 A 62 62 ASP HA H 62 4.720 4.714 0.006 2
1 707 . 1 1 A 62 62 ASP CA C 62 52.800 54.783 -1.983 2
1 708 . 1 1 A 62 62 ASP CB C 62 41.000 41.653 -0.653 2
1 709 . 1 1 A 62 62 ASP N N 62 117.700 119.489 -1.789 2
1 710 . 1 1 A 63 63 GLY H H 63 10.840 8.694 2.146 2
1 711 . 1 1 A 63 63 GLY HA2 H 63 4.310 4.167 0.143 2
1 712 . 1 1 A 63 63 GLY HA3 H 63 3.880 4.415 -0.535 2
1 713 . 1 1 A 63 63 GLY CA C 63 46.200 45.835 0.365 2
1 714 . 1 1 A 63 63 GLY N N 63 114.200 107.225 6.975 2
1 715 . 1 1 A 64 64 LYS H H 64 8.070 7.725 0.345 2
1 716 . 1 1 A 64 64 LYS HA H 64 5.030 5.072 -0.042 2
1 725 . 1 1 A 64 64 LYS CA C 64 54.200 54.443 -0.243 2
1 726 . 1 1 A 64 64 LYS CB C 64 36.100 35.923 0.177 2
1 730 . 1 1 A 64 64 LYS N N 64 117.400 119.878 -2.478 2
1 731 . 1 1 A 65 65 LEU H H 65 8.990 9.258 -0.268 2
1 732 . 1 1 A 65 65 LEU HA H 65 5.750 4.899 0.851 2
1 742 . 1 1 A 65 65 LEU CA C 65 52.900 53.576 -0.676 2
1 743 . 1 1 A 65 65 LEU CB C 65 43.600 43.765 -0.165 2
1 747 . 1 1 A 65 65 LEU N N 65 120.700 123.730 -3.030 2
1 748 . 1 1 A 66 66 THR H H 66 10.210 9.102 1.107 2
1 749 . 1 1 A 66 66 THR HA H 66 4.910 4.758 0.152 2
1 754 . 1 1 A 66 66 THR CA C 66 60.900 60.927 -0.027 2
1 755 . 1 1 A 66 66 THR CB C 66 71.200 71.138 0.062 2
1 757 . 1 1 A 66 66 THR N N 66 116.300 118.007 -1.707 2
1 758 . 1 1 A 67 67 ALA H H 67 8.350 8.603 -0.253 2
1 759 . 1 1 A 67 67 ALA HA H 67 2.620 3.537 -0.917 2
1 763 . 1 1 A 67 67 ALA CA C 67 56.200 55.064 1.136 2
1 764 . 1 1 A 67 67 ALA CB C 67 18.000 17.652 0.348 2
1 765 . 1 1 A 67 67 ALA N N 67 122.000 123.638 -1.638 2
1 766 . 1 1 A 68 68 GLU H H 68 8.160 8.078 0.082 2
1 767 . 1 1 A 68 68 GLU HA H 68 4.180 4.217 -0.037 2
1 772 . 1 1 A 68 68 GLU CA C 68 60.500 59.556 0.944 2
1 773 . 1 1 A 68 68 GLU CB C 68 30.500 29.289 1.211 2
1 775 . 1 1 A 68 68 GLU N N 68 112.200 117.872 -5.672 2
1 776 . 1 1 A 69 69 GLU H H 69 7.280 7.580 -0.300 2
1 777 . 1 1 A 69 69 GLU HA H 69 4.030 3.942 0.088 2
1 782 . 1 1 A 69 69 GLU CA C 69 60.100 58.819 1.281 2
1 783 . 1 1 A 69 69 GLU CB C 69 31.800 29.330 2.470 2
1 785 . 1 1 A 69 69 GLU N N 69 117.400 120.190 -2.790 2
1 786 . 1 1 A 70 70 PHE H H 70 8.940 8.356 0.584 2
1 787 . 1 1 A 70 70 PHE HA H 70 4.130 4.097 0.033 2
1 795 . 1 1 A 70 70 PHE CA C 70 61.900 61.305 0.595 2
1 796 . 1 1 A 70 70 PHE CB C 70 39.900 39.407 0.493 2
1 800 . 1 1 A 70 70 PHE N N 70 119.000 121.747 -2.747 2
1 801 . 1 1 A 71 71 ILE H H 71 8.890 8.420 0.470 2
1 802 . 1 1 A 71 71 ILE HA H 71 3.380 3.712 -0.332 2
1 812 . 1 1 A 71 71 ILE CA C 71 65.800 65.494 0.306 2
1 813 . 1 1 A 71 71 ILE CB C 71 39.100 37.896 1.204 2
1 817 . 1 1 A 71 71 ILE N N 71 119.800 120.648 -0.848 2
1 818 . 1 1 A 72 72 LEU H H 72 7.810 8.140 -0.330 2
1 819 . 1 1 A 72 72 LEU HA H 72 4.040 4.094 -0.054 2
1 829 . 1 1 A 72 72 LEU CA C 72 58.300 58.030 0.270 2
1 830 . 1 1 A 72 72 LEU CB C 72 42.600 41.650 0.950 2
1 834 . 1 1 A 72 72 LEU N N 72 118.100 121.273 -3.173 2
1 835 . 1 1 A 73 73 ALA H H 73 8.340 8.337 0.003 2
1 836 . 1 1 A 73 73 ALA HA H 73 3.820 3.976 -0.156 2
1 840 . 1 1 A 73 73 ALA CA C 73 55.600 55.341 0.259 2
1 841 . 1 1 A 73 73 ALA CB C 73 17.600 18.309 -0.709 2
1 842 . 1 1 A 73 73 ALA N N 73 122.000 120.941 1.060 2
1 843 . 1 1 A 74 74 MET H H 74 7.840 8.129 -0.289 2
1 844 . 1 1 A 74 74 MET HA H 74 3.830 3.934 -0.104 2
1 852 . 1 1 A 74 74 MET CA C 74 55.400 58.011 -2.611 2
1 853 . 1 1 A 74 74 MET CB C 74 27.800 31.317 -3.517 2
1 856 . 1 1 A 74 74 MET N N 74 113.400 116.624 -3.224 2
1 857 . 1 1 A 75 75 HIS H H 75 8.340 7.756 0.584 2
1 858 . 1 1 A 75 75 HIS HA H 75 4.510 4.218 0.292 2
1 863 . 1 1 A 75 75 HIS CA C 75 60.000 59.293 0.707 2
1 864 . 1 1 A 75 75 HIS CB C 75 31.400 29.774 1.626 2
1 867 . 1 1 A 75 75 HIS N N 75 120.200 120.757 -0.557 2
1 868 . 1 1 A 76 76 LEU H H 76 8.750 8.129 0.621 2
1 869 . 1 1 A 76 76 LEU HA H 76 3.670 3.712 -0.042 2
1 879 . 1 1 A 76 76 LEU CA C 76 57.700 57.658 0.042 2
1 880 . 1 1 A 76 76 LEU CB C 76 41.400 41.297 0.103 2
1 884 . 1 1 A 76 76 LEU N N 76 118.600 119.214 -0.614 2
1 885 . 1 1 A 77 77 ILE H H 77 7.980 8.152 -0.172 2
1 886 . 1 1 A 77 77 ILE HA H 77 3.470 3.408 0.062 2
1 896 . 1 1 A 77 77 ILE CA C 77 66.000 64.977 1.023 2
1 897 . 1 1 A 77 77 ILE CB C 77 36.500 37.541 -1.041 2
1 901 . 1 1 A 77 77 ILE N N 77 120.900 120.105 0.795 2
1 902 . 1 1 A 78 78 ASP H H 78 7.490 8.186 -0.696 2
1 903 . 1 1 A 78 78 ASP HA H 78 4.300 4.251 0.049 2
1 906 . 1 1 A 78 78 ASP CA C 78 57.900 57.551 0.349 2
1 907 . 1 1 A 78 78 ASP CB C 78 39.000 41.564 -2.564 2
1 908 . 1 1 A 78 78 ASP N N 78 121.500 120.557 0.943 2
1 909 . 1 1 A 79 79 VAL H H 79 8.380 7.803 0.577 2
1 910 . 1 1 A 79 79 VAL HA H 79 3.390 3.495 -0.105 2
1 918 . 1 1 A 79 79 VAL CA C 79 66.400 66.376 0.024 2
1 919 . 1 1 A 79 79 VAL CB C 79 31.700 31.421 0.279 2
1 922 . 1 1 A 79 79 VAL N N 79 122.400 119.089 3.311 2
1 923 . 1 1 A 80 80 ALA H H 80 8.730 8.395 0.335 2
1 924 . 1 1 A 80 80 ALA HA H 80 4.360 4.077 0.283 2
1 928 . 1 1 A 80 80 ALA CA C 80 54.800 55.309 -0.508 2
1 929 . 1 1 A 80 80 ALA CB C 80 18.100 17.913 0.187 2
1 930 . 1 1 A 80 80 ALA N N 80 125.200 122.044 3.156 2
1 931 . 1 1 A 81 81 MET H H 81 9.360 8.505 0.855 2
1 932 . 1 1 A 81 81 MET HA H 81 4.210 4.159 0.051 2
1 940 . 1 1 A 81 81 MET CA C 81 57.800 58.024 -0.224 2
1 941 . 1 1 A 81 81 MET CB C 81 31.800 32.232 -0.432 2
1 944 . 1 1 A 81 81 MET N N 81 119.600 118.004 1.596 2
1 945 . 1 1 A 82 82 SER H H 82 7.780 7.514 0.266 2
1 946 . 1 1 A 82 82 SER HA H 82 4.510 4.515 -0.005 2
1 949 . 1 1 A 82 82 SER CA C 82 59.500 58.399 1.101 2
1 950 . 1 1 A 82 82 SER CB C 82 64.000 63.583 0.417 2
1 951 . 1 1 A 82 82 SER N N 82 114.000 112.291 1.709 2
1 952 . 1 1 A 83 83 GLY H H 83 7.910 8.180 -0.269 2
1 953 . 1 1 A 83 83 GLY HA2 H 83 3.700 3.897 -0.197 2
1 954 . 1 1 A 83 83 GLY HA3 H 83 4.350 3.900 0.450 2
1 955 . 1 1 A 83 83 GLY CA C 83 44.900 45.543 -0.643 2
1 956 . 1 1 A 83 83 GLY N N 83 109.400 109.871 -0.471 2
1 957 . 1 1 A 84 84 GLN H H 84 7.100 7.665 -0.565 2
1 958 . 1 1 A 84 84 GLN HA H 84 4.530 4.608 -0.078 2
1 965 . 1 1 A 84 84 GLN CA C 84 53.100 52.946 0.154 2
1 966 . 1 1 A 84 84 GLN CB C 84 29.000 29.132 -0.132 2
1 968 . 1 1 A 84 84 GLN N N 84 120.700 120.446 0.254 2
1 970 . 1 1 A 85 85 PRO HA H 85 4.360 4.608 -0.248 2
1 977 . 1 1 A 85 85 PRO CA C 85 61.800 62.452 -0.652 2
1 978 . 1 1 A 85 85 PRO CB C 85 31.800 32.484 -0.684 2
1 981 . 1 1 A 86 86 LEU H H 86 8.360 8.383 -0.023 2
1 982 . 1 1 A 86 86 LEU HA H 86 4.380 4.671 -0.291 2
1 992 . 1 1 A 86 86 LEU CA C 86 51.600 52.538 -0.938 2
1 993 . 1 1 A 86 86 LEU CB C 86 41.000 41.974 -0.974 2
1 997 . 1 1 A 86 86 LEU N N 86 121.700 123.014 -1.314 2
1 998 . 1 1 A 87 87 PRO HA H 87 4.740 4.653 0.087 2
1 1005 . 1 1 A 87 87 PRO CA C 87 60.800 61.628 -0.828 2
1 1006 . 1 1 A 87 87 PRO CB C 87 30.900 32.162 -1.262 2
1 1009 . 1 1 A 88 88 PRO HA H 88 4.330 4.383 -0.053 2
1 1016 . 1 1 A 88 88 PRO CA C 88 63.900 64.740 -0.840 2
1 1017 . 1 1 A 88 88 PRO CB C 88 31.700 32.187 -0.487 2
1 1020 . 1 1 A 89 89 VAL H H 89 6.840 7.407 -0.567 2
1 1021 . 1 1 A 89 89 VAL HA H 89 4.030 4.706 -0.676 2
1 1029 . 1 1 A 89 89 VAL CA C 89 59.300 59.791 -0.490 2
1 1030 . 1 1 A 89 89 VAL CB C 89 35.500 35.490 0.010 2
1 1033 . 1 1 A 89 89 VAL N N 89 112.700 113.810 -1.110 2
1 1034 . 1 1 A 90 90 LEU H H 90 8.990 8.652 0.338 2
1 1035 . 1 1 A 90 90 LEU HA H 90 4.150 4.816 -0.666 2
1 1045 . 1 1 A 90 90 LEU CA C 90 53.500 52.024 1.476 2
1 1046 . 1 1 A 90 90 LEU CB C 90 42.200 44.191 -1.991 2
1 1050 . 1 1 A 90 90 LEU N N 90 127.800 127.287 0.513 2
1 1051 . 1 1 A 91 91 PRO HA H 91 4.830 4.735 0.095 2
1 1058 . 1 1 A 91 91 PRO CA C 91 61.100 61.743 -0.643 2
1 1059 . 1 1 A 91 91 PRO CB C 91 31.300 32.348 -1.048 2
1 1062 . 1 1 A 92 92 PRO HA H 92 4.230 4.228 0.002 2
1 1069 . 1 1 A 92 92 PRO CA C 92 65.100 65.349 -0.249 2
1 1070 . 1 1 A 92 92 PRO CB C 92 31.800 32.068 -0.268 2
1 1073 . 1 1 A 93 93 GLU H H 93 10.180 8.781 1.399 2
1 1074 . 1 1 A 93 93 GLU HA H 93 4.300 4.155 0.145 2
1 1079 . 1 1 A 93 93 GLU CA C 93 58.700 58.984 -0.284 2
1 1080 . 1 1 A 93 93 GLU CB C 93 27.500 29.101 -1.601 2
1 1082 . 1 1 A 93 93 GLU N N 93 116.400 117.171 -0.771 2
1 1083 . 1 1 A 94 94 TYR H H 94 8.510 8.006 0.504 2
1 1084 . 1 1 A 94 94 TYR HA H 94 4.510 4.860 -0.350 2
1 1091 . 1 1 A 94 94 TYR CA C 94 60.100 58.614 1.486 2
1 1092 . 1 1 A 94 94 TYR CB C 94 39.600 38.859 0.741 2
1 1095 . 1 1 A 94 94 TYR N N 94 119.400 115.844 3.556 2
1 1096 . 1 1 A 95 95 ILE H H 95 7.800 7.481 0.318 2
1 1097 . 1 1 A 95 95 ILE HA H 95 3.940 4.306 -0.366 2
1 1107 . 1 1 A 95 95 ILE CA C 95 60.200 58.865 1.335 2
1 1108 . 1 1 A 95 95 ILE CB C 95 37.800 38.136 -0.336 2
1 1112 . 1 1 A 95 95 ILE N N 95 124.500 122.005 2.495 2
1 1113 . 1 1 A 96 96 PRO HA H 96 2.770 3.623 -0.853 2
1 1120 . 1 1 A 96 96 PRO CA C 96 60.700 61.162 -0.462 2
1 1121 . 1 1 A 96 96 PRO CB C 96 31.400 31.451 -0.051 2
1 1124 . 1 1 A 97 97 PRO HA H 97 3.680 4.088 -0.408 2
1 1131 . 1 1 A 97 97 PRO CA C 97 65.900 63.744 2.156 2
1 1132 . 1 1 A 97 97 PRO CB C 97 32.100 32.083 0.017 2
1 1135 . 1 1 A 98 98 SER H H 98 9.160 8.479 0.681 2
1 1136 . 1 1 A 98 98 SER HA H 98 3.980 4.008 -0.028 2
1 1139 . 1 1 A 98 98 SER CA C 98 60.900 60.425 0.475 2
1 1140 . 1 1 A 98 98 SER CB C 98 62.200 61.310 0.890 2
1 1141 . 1 1 A 98 98 SER N N 98 112.400 112.098 0.302 2
1 1142 . 1 1 A 99 99 PHE H H 99 7.950 8.181 -0.231 2
1 1143 . 1 1 A 99 99 PHE HA H 99 4.470 4.493 -0.023 2
1 1151 . 1 1 A 99 99 PHE CA C 99 58.500 59.675 -1.175 2
1 1152 . 1 1 A 99 99 PHE CB C 99 40.100 38.529 1.571 2
1 1156 . 1 1 A 99 99 PHE N N 99 118.800 118.442 0.358 2
1 1157 . 1 1 A 100 100 ARG H H 100 7.350 7.978 -0.628 2
1 1158 . 1 1 A 100 100 ARG HA H 100 4.270 4.207 0.063 2
1 1165 . 1 1 A 100 100 ARG CA C 100 56.600 58.176 -1.576 2
1 1166 . 1 1 A 100 100 ARG CB C 100 30.300 30.334 -0.033 2
1 1169 . 1 1 A 100 100 ARG N N 100 120.200 119.138 1.062 2
1 1170 . 1 1 A 101 101 ARG H H 101 8.180 7.682 0.498 2
1 1171 . 1 1 A 101 101 ARG HA H 101 4.270 4.630 -0.360 2
1 1177 . 1 1 A 101 101 ARG CA C 101 56.700 55.282 1.417 2
1 1178 . 1 1 A 101 101 ARG CB C 101 30.700 31.142 -0.442 2
1 1181 . 1 1 A 101 101 ARG N N 101 121.100 118.653 2.447 2
1 1182 . 1 1 A 102 102 VAL H H 102 8.160 8.534 -0.374 2
1 1183 . 1 1 A 102 102 VAL HA H 102 4.080 4.472 -0.392 2
1 1191 . 1 1 A 102 102 VAL CA C 102 62.500 61.303 1.197 2
1 1192 . 1 1 A 102 102 VAL CB C 102 32.700 32.594 0.106 2
1 1195 . 1 1 A 102 102 VAL N N 102 121.500 122.401 -0.901 2
1 1196 . 1 1 A 103 103 ARG H H 103 7.920 8.372 -0.452 2
1 1197 . 1 1 A 103 103 ARG HA H 103 4.160 4.478 -0.318 2
1 1204 . 1 1 A 103 103 ARG CA C 103 57.300 55.807 1.493 2
1 1205 . 1 1 A 103 103 ARG CB C 103 31.600 30.885 0.715 2
1 1208 . 1 1 A 103 103 ARG N N 103 129.400 124.779 4.621 2
1 1209 . 1 1 A 104 104 LEU H H 104 8.190 8.313 -0.123 2
1 1210 . 1 1 A 104 104 LEU N N 104 122.800 123.637 -0.837 2
1 1211 . 1 1 A 105 105 GLU H H 105 8.220 8.455 -0.235 2
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