data_16030_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16030
_Entry.PDB_ID 2KAT
_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 9 . 1 1 1 A 2 2 GLN H H 2 8.840 8.649 0.191 1
1 10 . 1 1 1 A 2 2 GLN HA H 2 4.310 4.282 0.028 1
1 17 . 1 1 1 A 2 2 GLN CA C 2 55.600 55.446 0.154 1
1 18 . 1 1 1 A 2 2 GLN CB C 2 29.900 29.623 0.277 1
1 20 . 1 1 1 A 2 2 GLN N N 2 124.000 119.402 4.598 1
1 22 . 1 1 1 A 3 3 ALA H H 3 8.780 8.603 0.177 1
1 23 . 1 1 1 A 3 3 ALA HA H 3 4.240 4.049 0.191 1
1 27 . 1 1 1 A 3 3 ALA CA C 3 52.600 53.001 -0.401 1
1 28 . 1 1 1 A 3 3 ALA CB C 3 18.800 17.906 0.894 1
1 29 . 1 1 1 A 3 3 ALA N N 3 127.500 120.680 6.820 1
1 30 . 1 1 1 A 4 4 ILE H H 4 8.490 8.258 0.232 1
1 31 . 1 1 1 A 4 4 ILE HA H 4 3.820 3.781 0.039 1
1 41 . 1 1 1 A 4 4 ILE CA C 4 63.700 65.076 -1.376 1
1 42 . 1 1 1 A 4 4 ILE CB C 4 37.800 37.540 0.260 1
1 46 . 1 1 1 A 4 4 ILE N N 4 120.900 124.647 -3.747 1
1 47 . 1 1 1 A 5 5 THR H H 5 7.730 8.093 -0.363 1
1 48 . 1 1 1 A 5 5 THR HA H 5 3.540 3.843 -0.303 1
1 53 . 1 1 1 A 5 5 THR CA C 5 64.700 65.799 -1.099 1
1 54 . 1 1 1 A 5 5 THR CB C 5 66.700 68.314 -1.614 1
1 56 . 1 1 1 A 5 5 THR N N 5 110.700 113.585 -2.885 1
1 57 . 1 1 1 A 6 6 GLU H H 6 7.220 8.425 -1.205 1
1 58 . 1 1 1 A 6 6 GLU HA H 6 3.940 3.869 0.071 1
1 63 . 1 1 1 A 6 6 GLU CA C 6 59.200 59.635 -0.435 1
1 64 . 1 1 1 A 6 6 GLU CB C 6 28.900 29.708 -0.808 1
1 66 . 1 1 1 A 6 6 GLU N N 6 120.400 122.347 -1.947 1
1 67 . 1 1 1 A 7 7 ARG H H 7 7.930 7.645 0.285 1
1 68 . 1 1 1 A 7 7 ARG HA H 7 3.950 4.085 -0.135 1
1 75 . 1 1 1 A 7 7 ARG CA C 7 59.100 58.854 0.246 1
1 76 . 1 1 1 A 7 7 ARG CB C 7 30.100 29.663 0.437 1
1 79 . 1 1 1 A 7 7 ARG N N 7 119.900 119.023 0.877 1
1 80 . 1 1 1 A 8 8 LEU H H 8 8.130 8.108 0.022 1
1 81 . 1 1 1 A 8 8 LEU HA H 8 4.150 3.973 0.177 1
1 91 . 1 1 1 A 8 8 LEU CA C 8 57.800 57.875 -0.075 1
1 92 . 1 1 1 A 8 8 LEU CB C 8 41.000 41.118 -0.118 1
1 96 . 1 1 1 A 8 8 LEU N N 8 119.600 121.007 -1.407 1
1 97 . 1 1 1 A 9 9 GLU H H 9 8.530 8.408 0.122 1
1 98 . 1 1 1 A 9 9 GLU HA H 9 4.150 4.007 0.143 1
1 103 . 1 1 1 A 9 9 GLU CA C 9 59.100 59.602 -0.502 1
1 104 . 1 1 1 A 9 9 GLU CB C 9 28.300 29.053 -0.753 1
1 106 . 1 1 1 A 9 9 GLU N N 9 118.200 119.650 -1.450 1
1 107 . 1 1 1 A 10 10 ALA H H 10 7.800 8.272 -0.472 1
1 108 . 1 1 1 A 10 10 ALA HA H 10 4.230 4.098 0.132 1
1 112 . 1 1 1 A 10 10 ALA CA C 10 55.000 55.281 -0.281 1
1 113 . 1 1 1 A 10 10 ALA CB C 10 17.200 18.242 -1.042 1
1 114 . 1 1 1 A 10 10 ALA N N 10 122.900 122.314 0.586 1
1 115 . 1 1 1 A 11 11 MET H H 11 7.700 8.008 -0.308 1
1 116 . 1 1 1 A 11 11 MET HA H 11 4.040 4.168 -0.128 1
1 124 . 1 1 1 A 11 11 MET CA C 11 58.900 58.017 0.883 1
1 125 . 1 1 1 A 11 11 MET CB C 11 31.800 32.272 -0.472 1
1 128 . 1 1 1 A 11 11 MET N N 11 118.800 116.618 2.182 1
1 129 . 1 1 1 A 12 12 LEU H H 12 8.070 8.093 -0.023 1
1 130 . 1 1 1 A 12 12 LEU HA H 12 4.870 4.020 0.850 1
1 140 . 1 1 1 A 12 12 LEU CA C 12 56.900 57.423 -0.523 1
1 141 . 1 1 1 A 12 12 LEU CB C 12 41.900 40.776 1.124 1
1 145 . 1 1 1 A 12 12 LEU N N 12 122.500 121.806 0.694 1
1 146 . 1 1 1 A 13 13 ALA H H 13 8.150 7.786 0.364 1
1 147 . 1 1 1 A 13 13 ALA HA H 13 4.130 4.234 -0.104 1
1 151 . 1 1 1 A 13 13 ALA CA C 13 54.100 53.354 0.746 1
1 152 . 1 1 1 A 13 13 ALA CB C 13 17.700 18.360 -0.660 1
1 153 . 1 1 1 A 13 13 ALA N N 13 122.300 121.048 1.252 1
1 154 . 1 1 1 A 14 14 GLN H H 14 7.560 7.415 0.145 1
1 155 . 1 1 1 A 14 14 GLN HA H 14 4.340 4.386 -0.046 1
1 162 . 1 1 1 A 14 14 GLN CA C 14 55.500 55.739 -0.239 1
1 163 . 1 1 1 A 14 14 GLN CB C 14 28.700 29.342 -0.642 1
1 165 . 1 1 1 A 14 14 GLN N N 14 115.100 116.090 -0.990 1
1 167 . 1 1 1 A 15 15 GLY H H 15 7.870 7.738 0.132 1
1 168 . 1 1 1 A 15 15 GLY HA2 H 15 3.720 3.893 -0.173 1
1 169 . 1 1 1 A 15 15 GLY HA3 H 15 4.430 3.898 0.532 1
1 170 . 1 1 1 A 15 15 GLY CA C 15 45.100 46.067 -0.967 1
1 171 . 1 1 1 A 15 15 GLY N N 15 106.800 108.131 -1.331 1
1 172 . 1 1 1 A 16 16 THR H H 16 7.980 7.616 0.364 1
1 173 . 1 1 1 A 16 16 THR HA H 16 4.190 4.394 -0.204 1
1 178 . 1 1 1 A 16 16 THR CA C 16 62.600 61.202 1.398 1
1 179 . 1 1 1 A 16 16 THR CB C 16 68.800 66.786 2.014 1
1 181 . 1 1 1 A 16 16 THR N N 16 120.800 117.202 3.598 1
1 182 . 1 1 1 A 17 17 ASP H H 17 8.110 8.106 0.004 1
1 183 . 1 1 1 A 17 17 ASP HA H 17 4.830 4.853 -0.023 1
1 186 . 1 1 1 A 17 17 ASP CA C 17 53.300 53.495 -0.195 1
1 187 . 1 1 1 A 17 17 ASP CB C 17 42.700 40.159 2.541 1
1 188 . 1 1 1 A 17 17 ASP N N 17 122.800 124.978 -2.178 1
1 189 . 1 1 1 A 18 18 ASN HA H 18 3.460 4.985 -1.525 1
1 194 . 1 1 1 A 18 18 ASN CA C 18 52.200 51.874 0.326 1
1 195 . 1 1 1 A 18 18 ASN CB C 18 39.600 40.891 -1.291 1
1 197 . 1 1 1 A 19 19 MET H H 19 8.260 8.597 -0.337 1
1 198 . 1 1 1 A 19 19 MET HA H 19 3.650 4.110 -0.460 1
1 206 . 1 1 1 A 19 19 MET CA C 19 61.100 58.438 2.662 1
1 207 . 1 1 1 A 19 19 MET CB C 19 32.900 32.340 0.560 1
1 210 . 1 1 1 A 19 19 MET N N 19 119.100 122.275 -3.175 1
1 211 . 1 1 1 A 20 20 LEU H H 20 8.350 8.149 0.201 1
1 212 . 1 1 1 A 20 20 LEU HA H 20 4.220 3.900 0.320 1
1 222 . 1 1 1 A 20 20 LEU CA C 20 57.500 57.690 -0.190 1
1 223 . 1 1 1 A 20 20 LEU CB C 20 41.200 40.864 0.336 1
1 227 . 1 1 1 A 20 20 LEU N N 20 120.400 119.863 0.537 1
1 228 . 1 1 1 A 21 21 LEU H H 21 8.520 8.120 0.400 1
1 229 . 1 1 1 A 21 21 LEU HA H 21 3.910 3.899 0.011 1
1 239 . 1 1 1 A 21 21 LEU CA C 21 59.200 57.301 1.899 1
1 240 . 1 1 1 A 21 21 LEU CB C 21 42.400 40.688 1.712 1
1 244 . 1 1 1 A 21 21 LEU N N 21 125.500 119.445 6.055 1
1 245 . 1 1 1 A 22 22 ARG H H 22 7.830 8.093 -0.263 1
1 246 . 1 1 1 A 22 22 ARG HA H 22 4.230 4.002 0.228 1
1 253 . 1 1 1 A 22 22 ARG CA C 22 57.300 59.608 -2.308 1
1 254 . 1 1 1 A 22 22 ARG CB C 22 28.800 29.821 -1.021 1
1 257 . 1 1 1 A 22 22 ARG N N 22 117.200 119.564 -2.364 1
1 258 . 1 1 1 A 23 23 PHE H H 23 9.380 7.782 1.598 1
1 259 . 1 1 1 A 23 23 PHE HA H 23 3.950 4.137 -0.187 1
1 267 . 1 1 1 A 23 23 PHE CA C 23 61.500 61.102 0.398 1
1 268 . 1 1 1 A 23 23 PHE CB C 23 40.200 38.885 1.315 1
1 272 . 1 1 1 A 23 23 PHE N N 23 118.500 121.638 -3.138 1
1 273 . 1 1 1 A 24 24 THR H H 24 8.600 8.456 0.144 1
1 274 . 1 1 1 A 24 24 THR HA H 24 4.030 3.673 0.357 1
1 279 . 1 1 1 A 24 24 THR CA C 24 68.000 67.147 0.853 1
1 280 . 1 1 1 A 24 24 THR CB C 24 67.400 68.353 -0.953 1
1 282 . 1 1 1 A 24 24 THR N N 24 115.400 115.073 0.327 1
1 283 . 1 1 1 A 25 25 LEU H H 25 8.200 7.648 0.552 1
1 284 . 1 1 1 A 25 25 LEU HA H 25 3.390 3.719 -0.329 1
1 294 . 1 1 1 A 25 25 LEU CA C 25 58.200 57.617 0.583 1
1 295 . 1 1 1 A 25 25 LEU CB C 25 42.200 41.505 0.695 1
1 299 . 1 1 1 A 25 25 LEU N N 25 124.500 120.031 4.469 1
1 300 . 1 1 1 A 26 26 GLY H H 26 8.520 7.697 0.823 1
1 301 . 1 1 1 A 26 26 GLY HA2 H 26 3.910 3.444 0.466 1
1 302 . 1 1 1 A 26 26 GLY HA3 H 26 3.570 3.511 0.059 1
1 303 . 1 1 1 A 26 26 GLY CA C 26 48.400 47.061 1.339 1
1 304 . 1 1 1 A 26 26 GLY N N 26 104.600 106.268 -1.668 1
1 305 . 1 1 1 A 27 27 LYS H H 27 8.730 7.729 1.001 1
1 306 . 1 1 1 A 27 27 LYS HA H 27 2.970 3.121 -0.151 1
1 315 . 1 1 1 A 27 27 LYS CA C 27 59.100 57.874 1.226 1
1 316 . 1 1 1 A 27 27 LYS CB C 27 31.400 31.524 -0.124 1
1 320 . 1 1 1 A 27 27 LYS N N 27 121.200 121.256 -0.056 1
1 321 . 1 1 1 A 28 28 THR H H 28 7.420 7.308 0.112 1
1 322 . 1 1 1 A 28 28 THR HA H 28 3.680 3.542 0.138 1
1 327 . 1 1 1 A 28 28 THR CA C 28 67.100 66.136 0.964 1
1 328 . 1 1 1 A 28 28 THR CB C 28 67.700 68.101 -0.401 1
1 330 . 1 1 1 A 28 28 THR N N 28 114.500 115.626 -1.126 1
1 331 . 1 1 1 A 29 29 TYR H H 29 8.220 7.561 0.659 1
1 332 . 1 1 1 A 29 29 TYR HA H 29 4.380 4.153 0.227 1
1 339 . 1 1 1 A 29 29 TYR CA C 29 61.400 60.318 1.082 1
1 340 . 1 1 1 A 29 29 TYR CB C 29 37.100 37.155 -0.055 1
1 343 . 1 1 1 A 29 29 TYR N N 29 120.400 120.393 0.007 1
1 344 . 1 1 1 A 30 30 ALA H H 30 8.500 7.838 0.662 1
1 345 . 1 1 1 A 30 30 ALA HA H 30 3.770 3.634 0.136 1
1 349 . 1 1 1 A 30 30 ALA CA C 30 56.000 54.596 1.404 1
1 350 . 1 1 1 A 30 30 ALA CB C 30 18.200 18.221 -0.021 1
1 351 . 1 1 1 A 30 30 ALA N N 30 123.300 123.075 0.225 1
1 352 . 1 1 1 A 31 31 GLU H H 31 8.940 7.947 0.993 1
1 353 . 1 1 1 A 31 31 GLU HA H 31 4.180 4.203 -0.023 1
1 358 . 1 1 1 A 31 31 GLU CA C 31 58.600 58.364 0.236 1
1 359 . 1 1 1 A 31 31 GLU CB C 31 28.700 29.503 -0.803 1
1 361 . 1 1 1 A 31 31 GLU N N 31 120.700 119.083 1.617 1
1 362 . 1 1 1 A 32 32 HIS H H 32 7.340 7.184 0.156 1
1 363 . 1 1 1 A 32 32 HIS HA H 32 4.740 4.556 0.184 1
1 368 . 1 1 1 A 32 32 HIS CA C 32 54.800 55.496 -0.696 1
1 369 . 1 1 1 A 32 32 HIS CB C 32 28.200 29.875 -1.675 1
1 372 . 1 1 1 A 32 32 HIS N N 32 115.300 115.578 -0.278 1
1 373 . 1 1 1 A 33 33 GLU H H 33 7.830 7.567 0.263 1
1 374 . 1 1 1 A 33 33 GLU HA H 33 2.500 3.095 -0.595 1
1 379 . 1 1 1 A 33 33 GLU CA C 33 56.800 57.212 -0.412 1
1 380 . 1 1 1 A 33 33 GLU CB C 33 25.000 26.726 -1.726 1
1 382 . 1 1 1 A 33 33 GLU N N 33 112.200 115.008 -2.808 1
1 383 . 1 1 1 A 34 34 GLN H H 34 8.030 7.918 0.112 1
1 384 . 1 1 1 A 34 34 GLN HA H 34 4.460 4.367 0.093 1
1 391 . 1 1 1 A 34 34 GLN CA C 34 53.200 54.237 -1.037 1
1 392 . 1 1 1 A 34 34 GLN CB C 34 26.500 27.378 -0.878 1
1 394 . 1 1 1 A 34 34 GLN N N 34 121.000 118.987 2.013 1
1 396 . 1 1 1 A 35 35 PHE H H 35 7.050 7.697 -0.647 1
1 397 . 1 1 1 A 35 35 PHE HA H 35 4.180 4.203 -0.023 1
1 405 . 1 1 1 A 35 35 PHE CA C 35 60.700 61.038 -0.338 1
1 406 . 1 1 1 A 35 35 PHE CB C 35 38.200 38.864 -0.664 1
1 410 . 1 1 1 A 35 35 PHE N N 35 118.600 122.917 -4.317 1
1 411 . 1 1 1 A 36 36 ASP H H 36 8.410 8.374 0.036 1
1 412 . 1 1 1 A 36 36 ASP HA H 36 4.200 4.350 -0.150 1
1 415 . 1 1 1 A 36 36 ASP CA C 36 56.700 57.717 -1.017 1
1 416 . 1 1 1 A 36 36 ASP CB C 36 38.800 41.630 -2.830 1
1 417 . 1 1 1 A 36 36 ASP N N 36 117.000 120.524 -3.524 1
1 418 . 1 1 1 A 37 37 ALA H H 37 7.540 7.651 -0.111 1
1 419 . 1 1 1 A 37 37 ALA HA H 37 3.860 4.005 -0.145 1
1 423 . 1 1 1 A 37 37 ALA CA C 37 52.900 54.618 -1.718 1
1 424 . 1 1 1 A 37 37 ALA CB C 37 16.300 17.916 -1.616 1
1 425 . 1 1 1 A 37 37 ALA N N 37 120.900 121.261 -0.361 1
1 426 . 1 1 1 A 38 38 ALA H H 38 7.700 7.872 -0.172 1
1 427 . 1 1 1 A 38 38 ALA HA H 38 4.210 4.018 0.192 1
1 431 . 1 1 1 A 38 38 ALA CA C 38 55.100 55.080 0.020 1
1 432 . 1 1 1 A 38 38 ALA CB C 38 20.500 18.091 2.409 1
1 433 . 1 1 1 A 38 38 ALA N N 38 117.600 120.150 -2.550 1
1 434 . 1 1 1 A 39 39 LEU H H 39 7.430 8.086 -0.656 1
1 435 . 1 1 1 A 39 39 LEU HA H 39 4.050 3.967 0.083 1
1 445 . 1 1 1 A 39 39 LEU CA C 39 60.500 60.011 0.489 1
1 446 . 1 1 1 A 39 39 LEU CB C 39 39.200 40.136 -0.936 1
1 450 . 1 1 1 A 39 39 LEU N N 39 114.900 118.339 -3.439 1
1 451 . 1 1 1 A 40 40 PRO HA H 40 4.180 4.346 -0.166 1
1 458 . 1 1 1 A 40 40 PRO CA C 40 65.100 65.901 -0.801 1
1 459 . 1 1 1 A 40 40 PRO CB C 40 30.600 30.754 -0.154 1
1 462 . 1 1 1 A 41 41 HIS H H 41 6.570 7.592 -1.022 1
1 463 . 1 1 1 A 41 41 HIS HA H 41 4.740 4.208 0.532 1
1 468 . 1 1 1 A 41 41 HIS CA C 41 58.800 59.492 -0.692 1
1 469 . 1 1 1 A 41 41 HIS CB C 41 30.800 30.146 0.654 1
1 472 . 1 1 1 A 41 41 HIS N N 41 116.500 117.386 -0.886 1
1 473 . 1 1 1 A 42 42 LEU H H 42 8.140 8.899 -0.759 1
1 474 . 1 1 1 A 42 42 LEU HA H 42 4.120 3.984 0.136 1
1 484 . 1 1 1 A 42 42 LEU CA C 42 57.800 58.069 -0.269 1
1 485 . 1 1 1 A 42 42 LEU CB C 42 42.100 41.335 0.765 1
1 489 . 1 1 1 A 42 42 LEU N N 42 119.900 118.908 0.992 1
1 490 . 1 1 1 A 43 43 ARG H H 43 8.300 8.240 0.060 1
1 491 . 1 1 1 A 43 43 ARG HA H 43 3.740 4.142 -0.402 1
1 498 . 1 1 1 A 43 43 ARG CA C 43 59.700 59.422 0.278 1
1 499 . 1 1 1 A 43 43 ARG CB C 43 28.300 29.967 -1.667 1
1 502 . 1 1 1 A 43 43 ARG N N 43 116.400 121.140 -4.740 1
1 503 . 1 1 1 A 44 44 ALA H H 44 7.850 7.903 -0.053 1
1 504 . 1 1 1 A 44 44 ALA HA H 44 4.060 4.194 -0.134 1
1 508 . 1 1 1 A 44 44 ALA CA C 44 54.600 55.130 -0.530 1
1 509 . 1 1 1 A 44 44 ALA CB C 44 17.000 18.048 -1.048 1
1 510 . 1 1 1 A 44 44 ALA N N 44 121.000 119.767 1.233 1
1 511 . 1 1 1 A 45 45 ALA H H 45 8.440 7.564 0.876 1
1 512 . 1 1 1 A 45 45 ALA HA H 45 4.270 4.222 0.048 1
1 516 . 1 1 1 A 45 45 ALA CA C 45 56.200 55.048 1.152 1
1 517 . 1 1 1 A 45 45 ALA CB C 45 17.000 18.414 -1.414 1
1 518 . 1 1 1 A 45 45 ALA N N 45 121.200 120.832 0.368 1
1 519 . 1 1 1 A 46 46 LEU H H 46 7.310 8.364 -1.054 1
1 520 . 1 1 1 A 46 46 LEU HA H 46 4.010 4.115 -0.105 1
1 530 . 1 1 1 A 46 46 LEU CA C 46 55.900 57.848 -1.948 1
1 531 . 1 1 1 A 46 46 LEU CB C 46 42.200 41.087 1.113 1
1 535 . 1 1 1 A 46 46 LEU N N 46 116.800 118.836 -2.036 1
1 536 . 1 1 1 A 47 47 ASP H H 47 7.590 8.060 -0.470 1
1 537 . 1 1 1 A 47 47 ASP HA H 47 4.440 4.315 0.125 1
1 540 . 1 1 1 A 47 47 ASP CA C 47 55.500 57.124 -1.624 1
1 541 . 1 1 1 A 47 47 ASP CB C 47 39.200 40.753 -1.553 1
1 542 . 1 1 1 A 47 47 ASP N N 47 118.900 119.781 -0.881 1
1 543 . 1 1 1 A 48 48 PHE H H 48 7.490 7.825 -0.335 1
1 544 . 1 1 1 A 48 48 PHE HA H 48 4.450 4.355 0.095 1
1 552 . 1 1 1 A 48 48 PHE CA C 48 61.200 59.819 1.381 1
1 553 . 1 1 1 A 48 48 PHE CB C 48 39.600 40.104 -0.504 1
1 557 . 1 1 1 A 48 48 PHE N N 48 117.200 116.148 1.052 1
1 558 . 1 1 1 A 49 49 ASP H H 49 7.790 8.599 -0.809 1
1 559 . 1 1 1 A 49 49 ASP HA H 49 4.980 5.075 -0.095 1
1 562 . 1 1 1 A 49 49 ASP CA C 49 51.000 51.813 -0.813 1
1 563 . 1 1 1 A 49 49 ASP CB C 49 41.800 40.963 0.837 1
1 564 . 1 1 1 A 49 49 ASP N N 49 113.500 115.711 -2.211 1
1 565 . 1 1 1 A 50 50 PRO HA H 50 4.780 4.717 0.063 1
1 572 . 1 1 1 A 50 50 PRO CA C 50 64.000 64.043 -0.043 1
1 573 . 1 1 1 A 50 50 PRO CB C 50 32.000 32.379 -0.379 1
1 576 . 1 1 1 A 51 51 THR H H 51 8.640 7.981 0.659 1
1 577 . 1 1 1 A 51 51 THR HA H 51 4.620 4.797 -0.177 1
1 582 . 1 1 1 A 51 51 THR CA C 51 60.900 62.301 -1.401 1
1 583 . 1 1 1 A 51 51 THR CB C 51 68.600 69.565 -0.965 1
1 585 . 1 1 1 A 51 51 THR N N 51 111.900 109.947 1.953 1
1 586 . 1 1 1 A 52 52 TYR H H 52 7.350 7.855 -0.505 1
1 587 . 1 1 1 A 52 52 TYR HA H 52 4.820 4.687 0.133 1
1 594 . 1 1 1 A 52 52 TYR CA C 52 56.100 55.882 0.218 1
1 595 . 1 1 1 A 52 52 TYR CB C 52 35.900 37.885 -1.985 1
1 598 . 1 1 1 A 52 52 TYR N N 52 122.600 123.656 -1.056 1
1 599 . 1 1 1 A 53 53 SER H H 53 8.480 8.065 0.415 1
1 600 . 1 1 1 A 53 53 SER HA H 53 4.170 1.452 2.718 1
1 603 . 1 1 1 A 53 53 SER CA C 53 62.900 60.479 2.421 1
1 604 . 1 1 1 A 53 53 SER CB C 53 62.900 62.132 0.768 1
1 605 . 1 1 1 A 53 53 SER N N 53 127.100 123.206 3.894 1
1 606 . 1 1 1 A 54 54 VAL H H 54 7.860 7.166 0.694 1
1 607 . 1 1 1 A 54 54 VAL HA H 54 3.850 3.515 0.335 1
1 615 . 1 1 1 A 54 54 VAL CA C 54 65.500 66.286 -0.786 1
1 616 . 1 1 1 A 54 54 VAL CB C 54 31.200 31.211 -0.011 1
1 619 . 1 1 1 A 54 54 VAL N N 54 116.800 121.647 -4.847 1
1 620 . 1 1 1 A 55 55 ALA H H 55 7.120 8.010 -0.890 1
1 621 . 1 1 1 A 55 55 ALA HA H 55 4.490 4.683 -0.193 1
1 625 . 1 1 1 A 55 55 ALA CA C 55 55.700 55.354 0.346 1
1 626 . 1 1 1 A 55 55 ALA CB C 55 16.700 18.658 -1.958 1
1 627 . 1 1 1 A 55 55 ALA N N 55 123.000 121.205 1.795 1
1 628 . 1 1 1 A 56 56 TRP H H 56 7.340 7.603 -0.263 1
1 629 . 1 1 1 A 56 56 TRP HA H 56 4.160 4.591 -0.431 1
1 638 . 1 1 1 A 56 56 TRP CA C 56 60.700 60.013 0.687 1
1 639 . 1 1 1 A 56 56 TRP CB C 56 30.100 29.245 0.855 1
1 645 . 1 1 1 A 56 56 TRP N N 56 119.300 118.888 0.412 1
1 647 . 1 1 1 A 57 57 LYS H H 57 8.330 7.901 0.429 1
1 648 . 1 1 1 A 57 57 LYS HA H 57 3.970 4.148 -0.178 1
1 657 . 1 1 1 A 57 57 LYS CA C 57 59.300 59.127 0.173 1
1 658 . 1 1 1 A 57 57 LYS CB C 57 34.400 31.819 2.581 1
1 662 . 1 1 1 A 57 57 LYS N N 57 117.700 120.569 -2.869 1
1 663 . 1 1 1 A 58 58 TRP H H 58 8.170 7.940 0.230 1
1 664 . 1 1 1 A 58 58 TRP HA H 58 4.230 4.643 -0.413 1
1 673 . 1 1 1 A 58 58 TRP CA C 58 61.600 60.194 1.406 1
1 674 . 1 1 1 A 58 58 TRP CB C 58 29.000 29.848 -0.848 1
1 680 . 1 1 1 A 58 58 TRP N N 58 119.100 120.363 -1.263 1
1 682 . 1 1 1 A 59 59 LEU H H 59 9.500 8.786 0.714 1
1 683 . 1 1 1 A 59 59 LEU HA H 59 4.090 4.075 0.015 1
1 693 . 1 1 1 A 59 59 LEU CA C 59 58.500 58.534 -0.034 1
1 694 . 1 1 1 A 59 59 LEU CB C 59 41.300 42.066 -0.766 1
1 698 . 1 1 1 A 59 59 LEU N N 59 127.300 120.791 6.509 1
1 699 . 1 1 1 A 60 60 GLY H H 60 8.480 8.141 0.339 1
1 700 . 1 1 1 A 60 60 GLY HA2 H 60 3.050 3.287 -0.237 1
1 701 . 1 1 1 A 60 60 GLY HA3 H 60 2.250 3.533 -1.283 1
1 702 . 1 1 1 A 60 60 GLY CA C 60 47.500 46.861 0.639 1
1 703 . 1 1 1 A 60 60 GLY N N 60 105.100 105.647 -0.547 1
1 704 . 1 1 1 A 61 61 LYS H H 61 7.680 7.661 0.019 1
1 705 . 1 1 1 A 61 61 LYS HA H 61 3.890 4.441 -0.551 1
1 714 . 1 1 1 A 61 61 LYS CA C 61 59.300 59.336 -0.036 1
1 715 . 1 1 1 A 61 61 LYS CB C 61 32.000 31.979 0.021 1
1 719 . 1 1 1 A 61 61 LYS N N 61 118.600 122.396 -3.796 1
1 720 . 1 1 1 A 62 62 THR H H 62 8.030 7.969 0.061 1
1 721 . 1 1 1 A 62 62 THR HA H 62 3.780 3.706 0.074 1
1 726 . 1 1 1 A 62 62 THR CA C 62 67.400 67.119 0.281 1
1 727 . 1 1 1 A 62 62 THR CB C 62 66.300 68.522 -2.222 1
1 729 . 1 1 1 A 62 62 THR N N 62 120.100 116.979 3.121 1
1 730 . 1 1 1 A 63 63 LEU H H 63 8.090 8.081 0.009 1
1 731 . 1 1 1 A 63 63 LEU HA H 63 4.080 3.829 0.251 1
1 741 . 1 1 1 A 63 63 LEU CA C 63 57.800 57.673 0.127 1
1 742 . 1 1 1 A 63 63 LEU CB C 63 40.800 40.941 -0.141 1
1 746 . 1 1 1 A 63 63 LEU N N 63 121.400 120.657 0.743 1
1 747 . 1 1 1 A 64 64 GLN H H 64 8.300 7.946 0.354 1
1 748 . 1 1 1 A 64 64 GLN HA H 64 3.400 3.933 -0.533 1
1 755 . 1 1 1 A 64 64 GLN CA C 64 59.300 58.164 1.136 1
1 756 . 1 1 1 A 64 64 GLN CB C 64 28.100 27.735 0.365 1
1 758 . 1 1 1 A 64 64 GLN N N 64 119.500 117.586 1.914 1
1 760 . 1 1 1 A 65 65 GLY H H 65 7.720 7.652 0.068 1
1 761 . 1 1 1 A 65 65 GLY HA2 H 65 2.300 2.956 -0.656 1
1 762 . 1 1 1 A 65 65 GLY HA3 H 65 3.430 3.644 -0.214 1
1 763 . 1 1 1 A 65 65 GLY CA C 65 46.000 46.824 -0.824 1
1 764 . 1 1 1 A 65 65 GLY N N 65 110.300 107.695 2.605 1
1 765 . 1 1 1 A 66 66 GLN H H 66 7.250 7.661 -0.411 1
1 766 . 1 1 1 A 66 66 GLN HA H 66 4.270 4.383 -0.113 1
1 773 . 1 1 1 A 66 66 GLN CA C 66 55.900 57.275 -1.375 1
1 774 . 1 1 1 A 66 66 GLN CB C 66 30.000 29.499 0.501 1
1 776 . 1 1 1 A 66 66 GLN N N 66 117.500 120.336 -2.836 1
1 778 . 1 1 1 A 67 67 GLY H H 67 7.800 7.816 -0.016 1
1 779 . 1 1 1 A 67 67 GLY HA2 H 67 4.230 4.033 0.197 1
1 780 . 1 1 1 A 67 67 GLY HA3 H 67 3.660 4.043 -0.383 1
1 781 . 1 1 1 A 67 67 GLY CA C 67 44.800 45.225 -0.425 1
1 782 . 1 1 1 A 67 67 GLY N N 67 107.400 107.380 0.020 1
1 783 . 1 1 1 A 68 68 ASP H H 68 8.100 7.985 0.115 1
1 784 . 1 1 1 A 68 68 ASP HA H 68 4.780 4.852 -0.072 1
1 787 . 1 1 1 A 68 68 ASP CA C 68 51.100 52.712 -1.612 1
1 788 . 1 1 1 A 68 68 ASP CB C 68 38.800 41.196 -2.396 1
1 789 . 1 1 1 A 68 68 ASP N N 68 121.600 120.524 1.076 1
1 790 . 1 1 1 A 69 69 ARG H H 69 7.770 8.540 -0.770 1
1 791 . 1 1 1 A 69 69 ARG HA H 69 3.650 3.879 -0.229 1
1 798 . 1 1 1 A 69 69 ARG CA C 69 59.800 59.424 0.376 1
1 799 . 1 1 1 A 69 69 ARG CB C 69 28.700 29.822 -1.122 1
1 802 . 1 1 1 A 69 69 ARG N N 69 123.700 126.572 -2.872 1
1 803 . 1 1 1 A 70 70 ALA H H 70 8.490 8.153 0.337 1
1 804 . 1 1 1 A 70 70 ALA HA H 70 4.040 4.011 0.029 1
1 808 . 1 1 1 A 70 70 ALA CA C 70 54.700 54.831 -0.131 1
1 809 . 1 1 1 A 70 70 ALA CB C 70 17.800 18.908 -1.108 1
1 810 . 1 1 1 A 70 70 ALA N N 70 122.400 122.131 0.269 1
1 811 . 1 1 1 A 71 71 GLY H H 71 8.540 8.630 -0.090 1
1 812 . 1 1 1 A 71 71 GLY HA2 H 71 3.570 3.700 -0.130 1
1 813 . 1 1 1 A 71 71 GLY HA3 H 71 3.710 3.711 -0.001 1
1 814 . 1 1 1 A 71 71 GLY CA C 71 47.100 47.175 -0.075 1
1 815 . 1 1 1 A 71 71 GLY N N 71 109.100 108.090 1.010 1
1 816 . 1 1 1 A 72 72 ALA H H 72 8.060 7.787 0.273 1
1 817 . 1 1 1 A 72 72 ALA HA H 72 3.310 3.425 -0.115 1
1 821 . 1 1 1 A 72 72 ALA CA C 72 55.200 54.604 0.596 1
1 822 . 1 1 1 A 72 72 ALA CB C 72 17.200 18.316 -1.116 1
1 823 . 1 1 1 A 72 72 ALA N N 72 126.600 124.838 1.762 1
1 824 . 1 1 1 A 73 73 ARG H H 73 7.840 7.802 0.038 1
1 825 . 1 1 1 A 73 73 ARG HA H 73 3.760 4.138 -0.378 1
1 832 . 1 1 1 A 73 73 ARG CA C 73 59.700 59.776 -0.076 1
1 833 . 1 1 1 A 73 73 ARG CB C 73 29.800 30.073 -0.273 1
1 836 . 1 1 1 A 73 73 ARG N N 73 116.300 118.445 -2.145 1
1 837 . 1 1 1 A 74 74 GLN H H 74 7.690 8.096 -0.406 1
1 838 . 1 1 1 A 74 74 GLN HA H 74 3.970 4.020 -0.050 1
1 845 . 1 1 1 A 74 74 GLN CA C 74 58.800 58.730 0.070 1
1 846 . 1 1 1 A 74 74 GLN CB C 74 28.400 28.497 -0.097 1
1 848 . 1 1 1 A 74 74 GLN N N 74 116.500 118.134 -1.634 1
1 850 . 1 1 1 A 75 75 ALA H H 75 8.160 7.879 0.281 1
1 851 . 1 1 1 A 75 75 ALA HA H 75 4.350 4.069 0.281 1
1 855 . 1 1 1 A 75 75 ALA CA C 75 54.400 55.010 -0.610 1
1 856 . 1 1 1 A 75 75 ALA CB C 75 17.600 18.174 -0.574 1
1 857 . 1 1 1 A 75 75 ALA N N 75 121.900 122.266 -0.366 1
1 858 . 1 1 1 A 76 76 TRP H H 76 8.640 8.049 0.591 1
1 859 . 1 1 1 A 76 76 TRP HA H 76 4.640 4.483 0.157 1
1 868 . 1 1 1 A 76 76 TRP CA C 76 58.200 60.196 -1.996 1
1 869 . 1 1 1 A 76 76 TRP CB C 76 27.600 29.597 -1.997 1
1 875 . 1 1 1 A 76 76 TRP N N 76 118.400 118.381 0.019 1
1 877 . 1 1 1 A 77 77 GLU H H 77 9.050 8.415 0.635 1
1 878 . 1 1 1 A 77 77 GLU HA H 77 4.010 3.942 0.068 1
1 883 . 1 1 1 A 77 77 GLU CA C 77 58.900 59.856 -0.956 1
1 884 . 1 1 1 A 77 77 GLU CB C 77 28.100 29.455 -1.355 1
1 886 . 1 1 1 A 77 77 GLU N N 77 121.000 119.881 1.119 1
1 887 . 1 1 1 A 78 78 SER H H 78 8.280 8.042 0.238 1
1 888 . 1 1 1 A 78 78 SER HA H 78 3.800 4.149 -0.349 1
1 891 . 1 1 1 A 78 78 SER CA C 78 62.400 62.558 -0.158 1
1 892 . 1 1 1 A 78 78 SER CB C 78 68.000 62.655 5.345 1
1 893 . 1 1 1 A 78 78 SER N N 78 120.000 117.395 2.605 1
1 894 . 1 1 1 A 79 79 GLY H H 79 8.580 8.418 0.162 1
1 895 . 1 1 1 A 79 79 GLY HA2 H 79 3.470 3.566 -0.096 1
1 896 . 1 1 1 A 79 79 GLY HA3 H 79 3.580 3.850 -0.270 1
1 897 . 1 1 1 A 79 79 GLY CA C 79 47.000 46.949 0.051 1
1 898 . 1 1 1 A 79 79 GLY N N 79 111.000 109.370 1.630 1
1 899 . 1 1 1 A 80 80 LEU H H 80 8.640 8.217 0.423 1
1 900 . 1 1 1 A 80 80 LEU HA H 80 3.830 4.075 -0.245 1
1 910 . 1 1 1 A 80 80 LEU CA C 80 58.200 57.794 0.406 1
1 911 . 1 1 1 A 80 80 LEU CB C 80 41.800 41.687 0.113 1
1 915 . 1 1 1 A 80 80 LEU N N 80 125.600 123.058 2.542 1
1 916 . 1 1 1 A 81 81 ALA H H 81 7.400 8.386 -0.986 1
1 917 . 1 1 1 A 81 81 ALA HA H 81 4.140 3.948 0.192 1
1 921 . 1 1 1 A 81 81 ALA CA C 81 54.600 55.106 -0.506 1
1 922 . 1 1 1 A 81 81 ALA CB C 81 17.500 18.130 -0.630 1
1 923 . 1 1 1 A 81 81 ALA N N 81 120.400 120.756 -0.356 1
1 924 . 1 1 1 A 82 82 ALA H H 82 7.640 7.461 0.179 1
1 925 . 1 1 1 A 82 82 ALA HA H 82 4.160 3.832 0.328 1
1 929 . 1 1 1 A 82 82 ALA CA C 82 54.700 54.624 0.076 1
1 930 . 1 1 1 A 82 82 ALA CB C 82 17.200 17.989 -0.789 1
1 931 . 1 1 1 A 82 82 ALA N N 82 120.900 120.109 0.791 1
1 932 . 1 1 1 A 83 83 ALA H H 83 8.910 8.091 0.819 1
1 933 . 1 1 1 A 83 83 ALA HA H 83 4.260 4.491 -0.231 1
1 937 . 1 1 1 A 83 83 ALA CA C 83 54.900 55.349 -0.449 1
1 938 . 1 1 1 A 83 83 ALA CB C 83 18.600 18.323 0.277 1
1 939 . 1 1 1 A 83 83 ALA N N 83 122.000 120.077 1.923 1
1 940 . 1 1 1 A 84 84 GLN H H 84 8.770 8.200 0.570 1
1 941 . 1 1 1 A 84 84 GLN HA H 84 3.940 4.074 -0.134 1
1 948 . 1 1 1 A 84 84 GLN CA C 84 58.800 59.170 -0.370 1
1 949 . 1 1 1 A 84 84 GLN CB C 84 28.200 28.360 -0.160 1
1 951 . 1 1 1 A 84 84 GLN N N 84 118.400 118.910 -0.510 1
1 953 . 1 1 1 A 85 85 SER H H 85 7.920 8.252 -0.332 1
1 954 . 1 1 1 A 85 85 SER HA H 85 4.250 4.230 0.020 1
1 957 . 1 1 1 A 85 85 SER CA C 85 61.200 61.048 0.152 1
1 958 . 1 1 1 A 85 85 SER CB C 85 62.700 63.328 -0.628 1
1 959 . 1 1 1 A 85 85 SER N N 85 115.200 115.147 0.053 1
1 960 . 1 1 1 A 86 86 ARG H H 86 7.590 7.503 0.087 1
1 961 . 1 1 1 A 86 86 ARG HA H 86 4.380 4.462 -0.082 1
1 968 . 1 1 1 A 86 86 ARG CA C 86 55.800 55.864 -0.064 1
1 969 . 1 1 1 A 86 86 ARG CB C 86 31.200 30.998 0.202 1
1 972 . 1 1 1 A 86 86 ARG N N 86 117.800 117.740 0.060 1
1 973 . 1 1 1 A 87 87 GLY H H 87 7.790 7.905 -0.115 1
1 974 . 1 1 1 A 87 87 GLY HA2 H 87 3.870 3.952 -0.082 1
1 975 . 1 1 1 A 87 87 GLY HA3 H 87 4.080 3.954 0.126 1
1 976 . 1 1 1 A 87 87 GLY CA C 87 46.100 46.440 -0.340 1
1 977 . 1 1 1 A 87 87 GLY N N 87 109.100 108.919 0.181 1
1 978 . 1 1 1 A 88 88 ASP H H 88 8.210 8.440 -0.230 1
1 979 . 1 1 1 A 88 88 ASP HA H 88 4.830 4.757 0.073 1
1 982 . 1 1 1 A 88 88 ASP CA C 88 52.100 52.387 -0.287 1
1 983 . 1 1 1 A 88 88 ASP CB C 88 39.000 40.045 -1.045 1
1 984 . 1 1 1 A 88 88 ASP N N 88 120.200 120.883 -0.683 1
1 985 . 1 1 1 A 89 89 GLN H H 89 8.110 8.547 -0.437 1
1 986 . 1 1 1 A 89 89 GLN HA H 89 3.840 4.046 -0.206 1
1 993 . 1 1 1 A 89 89 GLN CA C 89 58.500 59.175 -0.675 1
1 994 . 1 1 1 A 89 89 GLN CB C 89 28.000 28.246 -0.246 1
1 996 . 1 1 1 A 89 89 GLN N N 89 122.400 125.162 -2.762 1
1 998 . 1 1 1 A 90 90 GLN H H 90 8.720 7.871 0.849 1
1 999 . 1 1 1 A 90 90 GLN HA H 90 4.000 4.056 -0.056 1
1 1006 . 1 1 1 A 90 90 GLN CA C 90 58.800 58.673 0.127 1
1 1007 . 1 1 1 A 90 90 GLN CB C 90 27.800 28.525 -0.725 1
1 1009 . 1 1 1 A 90 90 GLN N N 90 119.100 120.160 -1.060 1
1 1011 . 1 1 1 A 91 91 VAL H H 91 7.170 7.772 -0.602 1
1 1012 . 1 1 1 A 91 91 VAL HA H 91 3.660 3.531 0.129 1
1 1020 . 1 1 1 A 91 91 VAL CA C 91 65.500 66.212 -0.712 1
1 1021 . 1 1 1 A 91 91 VAL CB C 91 31.300 31.509 -0.209 1
1 1024 . 1 1 1 A 91 91 VAL N N 91 119.900 119.462 0.438 1
1 1025 . 1 1 1 A 92 92 VAL H H 92 7.880 7.744 0.136 1
1 1026 . 1 1 1 A 92 92 VAL HA H 92 3.240 3.512 -0.272 1
1 1034 . 1 1 1 A 92 92 VAL CA C 92 67.300 67.009 0.291 1
1 1035 . 1 1 1 A 92 92 VAL CB C 92 31.500 31.469 0.031 1
1 1038 . 1 1 1 A 92 92 VAL N N 92 119.900 120.451 -0.551 1
1 1039 . 1 1 1 A 93 93 LYS H H 93 7.480 8.005 -0.525 1
1 1040 . 1 1 1 A 93 93 LYS HA H 93 3.920 3.881 0.039 1
1 1049 . 1 1 1 A 93 93 LYS CA C 93 59.300 60.166 -0.866 1
1 1050 . 1 1 1 A 93 93 LYS CB C 93 31.900 31.989 -0.089 1
1 1054 . 1 1 1 A 93 93 LYS N N 93 116.000 118.643 -2.643 1
1 1055 . 1 1 1 A 94 94 GLU H H 94 7.480 8.155 -0.675 1
1 1056 . 1 1 1 A 94 94 GLU HA H 94 3.580 4.042 -0.462 1
1 1061 . 1 1 1 A 94 94 GLU CA C 94 58.600 58.972 -0.372 1
1 1062 . 1 1 1 A 94 94 GLU CB C 94 29.500 29.221 0.279 1
1 1064 . 1 1 1 A 94 94 GLU N N 94 117.500 120.583 -3.083 1
1 1065 . 1 1 1 A 95 95 LEU H H 95 8.370 8.380 -0.010 1
1 1066 . 1 1 1 A 95 95 LEU HA H 95 3.530 3.645 -0.115 1
1 1076 . 1 1 1 A 95 95 LEU CA C 95 57.600 57.397 0.203 1
1 1077 . 1 1 1 A 95 95 LEU CB C 95 40.900 40.989 -0.089 1
1 1081 . 1 1 1 A 95 95 LEU N N 95 117.500 120.020 -2.520 1
1 1082 . 1 1 1 A 96 96 GLN H H 96 8.330 8.196 0.134 1
1 1083 . 1 1 1 A 96 96 GLN HA H 96 3.980 3.806 0.174 1
1 1090 . 1 1 1 A 96 96 GLN CA C 96 58.900 59.721 -0.821 1
1 1091 . 1 1 1 A 96 96 GLN CB C 96 28.100 27.928 0.172 1
1 1093 . 1 1 1 A 96 96 GLN N N 96 117.600 119.456 -1.856 1
1 1095 . 1 1 1 A 97 97 VAL H H 97 7.450 7.965 -0.515 1
1 1096 . 1 1 1 A 97 97 VAL HA H 97 3.450 3.583 -0.133 1
1 1104 . 1 1 1 A 97 97 VAL CA C 97 66.700 66.460 0.240 1
1 1105 . 1 1 1 A 97 97 VAL CB C 97 31.000 31.593 -0.593 1
1 1108 . 1 1 1 A 97 97 VAL N N 97 120.300 119.481 0.819 1
1 1109 . 1 1 1 A 98 98 PHE H H 98 7.460 7.306 0.154 1
1 1110 . 1 1 1 A 98 98 PHE HA H 98 3.980 4.006 -0.026 1
1 1118 . 1 1 1 A 98 98 PHE CA C 98 58.700 60.693 -1.993 1
1 1119 . 1 1 1 A 98 98 PHE CB C 98 35.500 38.087 -2.587 1
1 1123 . 1 1 1 A 98 98 PHE N N 98 119.100 117.985 1.115 1
1 1124 . 1 1 1 A 99 99 LEU H H 99 8.330 7.775 0.555 1
1 1125 . 1 1 1 A 99 99 LEU HA H 99 4.090 3.901 0.189 1
1 1135 . 1 1 1 A 99 99 LEU CA C 99 57.800 57.773 0.027 1
1 1136 . 1 1 1 A 99 99 LEU CB C 99 41.800 41.325 0.475 1
1 1140 . 1 1 1 A 99 99 LEU N N 99 119.300 120.575 -1.275 1
1 1141 . 1 1 1 A 100 100 ARG H H 100 8.350 8.003 0.347 1
1 1142 . 1 1 1 A 100 100 ARG HA H 100 4.110 4.011 0.099 1
1 1149 . 1 1 1 A 100 100 ARG CA C 100 59.300 59.498 -0.198 1
1 1150 . 1 1 1 A 100 100 ARG CB C 100 29.900 30.229 -0.329 1
1 1153 . 1 1 1 A 100 100 ARG N N 100 121.900 119.746 2.154 1
1 1154 . 1 1 1 A 101 101 ARG H H 101 8.110 7.477 0.633 1
1 1155 . 1 1 1 A 101 101 ARG HA H 101 4.020 4.062 -0.042 1
1 1162 . 1 1 1 A 101 101 ARG CA C 101 57.600 58.638 -1.038 1
1 1163 . 1 1 1 A 101 101 ARG CB C 101 30.200 30.100 0.100 1
1 1166 . 1 1 1 A 101 101 ARG N N 101 120.500 119.997 0.503 1
1 1167 . 1 1 1 A 102 102 LEU H H 102 7.890 8.079 -0.189 1
1 1168 . 1 1 1 A 102 102 LEU HA H 102 4.150 4.147 0.003 1
1 1178 . 1 1 1 A 102 102 LEU CA C 102 57.600 57.721 -0.121 1
1 1179 . 1 1 1 A 102 102 LEU CB C 102 42.300 41.517 0.783 1
1 1183 . 1 1 1 A 102 102 LEU N N 102 119.900 121.075 -1.175 1
1 1184 . 1 1 1 A 103 103 ALA H H 103 7.880 8.124 -0.244 1
1 1185 . 1 1 1 A 103 103 ALA HA H 103 4.170 4.049 0.121 1
1 1189 . 1 1 1 A 103 103 ALA CA C 103 54.700 54.920 -0.220 1
1 1190 . 1 1 1 A 103 103 ALA CB C 103 17.800 18.260 -0.460 1
1 1191 . 1 1 1 A 103 103 ALA N N 103 120.000 120.691 -0.691 1
1 1192 . 1 1 1 A 104 104 ARG H H 104 8.060 7.607 0.453 1
1 1193 . 1 1 1 A 104 104 ARG HA H 104 4.130 4.145 -0.015 1
1 1200 . 1 1 1 A 104 104 ARG CA C 104 58.500 59.388 -0.888 1
1 1201 . 1 1 1 A 104 104 ARG CB C 104 29.800 29.778 0.022 1
1 1204 . 1 1 1 A 104 104 ARG N N 104 119.800 117.799 2.001 1
1 1205 . 1 1 1 A 105 105 GLU H H 105 8.050 7.852 0.198 1
1 1206 . 1 1 1 A 105 105 GLU HA H 105 4.020 4.137 -0.117 1
1 1211 . 1 1 1 A 105 105 GLU CA C 105 58.500 59.322 -0.822 1
1 1212 . 1 1 1 A 105 105 GLU CB C 105 28.900 29.646 -0.746 1
1 1214 . 1 1 1 A 105 105 GLU N N 105 119.700 119.927 -0.227 1
1 1215 . 1 1 1 A 106 106 ASP H H 106 8.360 8.072 0.288 1
1 1216 . 1 1 1 A 106 106 ASP HA H 106 4.380 4.451 -0.071 1
1 1219 . 1 1 1 A 106 106 ASP CA C 106 56.500 58.052 -1.552 1
1 1220 . 1 1 1 A 106 106 ASP CB C 106 40.500 42.174 -1.674 1
1 1221 . 1 1 1 A 106 106 ASP N N 106 119.800 120.076 -0.276 1
1 1222 . 1 1 1 A 107 107 ALA H H 107 7.910 8.345 -0.435 1
1 1223 . 1 1 1 A 107 107 ALA HA H 107 4.150 4.244 -0.094 1
1 1227 . 1 1 1 A 107 107 ALA CA C 107 54.200 54.882 -0.682 1
1 1228 . 1 1 1 A 107 107 ALA CB C 107 18.100 18.591 -0.491 1
1 1229 . 1 1 1 A 107 107 ALA N N 107 121.900 121.598 0.302 1
1 1230 . 1 1 1 A 108 108 LEU H H 108 7.840 7.969 -0.129 1
1 1231 . 1 1 1 A 108 108 LEU HA H 108 4.120 4.006 0.114 1
1 1241 . 1 1 1 A 108 108 LEU CA C 108 56.400 57.627 -1.227 1
1 1242 . 1 1 1 A 108 108 LEU CB C 108 42.000 42.140 -0.140 1
1 1246 . 1 1 1 A 108 108 LEU N N 108 119.000 120.394 -1.394 1
1 1247 . 1 1 1 A 109 109 GLU H H 109 7.860 7.926 -0.066 1
1 1248 . 1 1 1 A 109 109 GLU HA H 109 4.090 4.327 -0.237 1
1 1253 . 1 1 1 A 109 109 GLU CA C 109 57.000 58.572 -1.572 1
1 1254 . 1 1 1 A 109 109 GLU CB C 109 29.100 30.211 -1.111 1
1 1256 . 1 1 1 A 109 109 GLU N N 109 118.600 115.713 2.887 1
1 1257 . 1 1 1 A 110 110 HIS H H 110 8.140 8.242 -0.102 1
1 1258 . 1 1 1 A 110 110 HIS HA H 110 4.560 4.688 -0.128 1
1 1261 . 1 1 1 A 110 110 HIS CA C 110 55.600 56.542 -0.942 1
1 1262 . 1 1 1 A 110 110 HIS CB C 110 28.300 30.110 -1.810 1
1 1263 . 1 1 1 A 110 110 HIS N N 110 117.000 120.056 -3.056 1
1 1264 . 1 1 1 A 111 111 HIS H H 111 8.340 8.103 0.237 1
1 1265 . 1 1 1 A 111 111 HIS HA H 111 4.600 4.667 -0.067 1
1 1268 . 1 1 1 A 111 111 HIS CA C 111 55.500 56.624 -1.124 1
1 1269 . 1 1 1 A 111 111 HIS CB C 111 28.500 27.814 0.686 1
1 1270 . 1 1 1 A 111 111 HIS N N 111 117.800 118.334 -0.534 1
1 1271 . 1 1 1 A 112 112 HIS H H 112 8.530 8.121 0.409 1
1 1272 . 1 1 1 A 112 112 HIS HA H 112 4.620 4.469 0.151 1
1 1275 . 1 1 1 A 112 112 HIS CA C 112 55.300 56.277 -0.977 1
1 1276 . 1 1 1 A 112 112 HIS CB C 112 28.800 29.963 -1.163 1
1 1277 . 1 1 1 A 112 112 HIS N N 112 119.000 118.331 0.669 1
1 1278 . 1 1 1 A 113 113 HIS H H 113 8.660 6.971 1.689 1
1 1279 . 1 1 1 A 113 113 HIS HA H 113 4.640 4.376 0.264 1
1 1282 . 1 1 1 A 113 113 HIS CA C 113 55.200 57.237 -2.037 1
1 1283 . 1 1 1 A 113 113 HIS CB C 113 28.900 30.399 -1.499 1
1 1284 . 1 1 1 A 113 113 HIS N N 113 120.000 120.044 -0.044 1
1 1285 . 1 1 1 A 114 114 HIS H H 114 8.630 8.603 0.027 1
1 1286 . 1 1 1 A 114 114 HIS HA H 114 4.610 3.940 0.670 1
1 1289 . 1 1 1 A 114 114 HIS CA C 114 55.200 59.007 -3.807 1
1 1290 . 1 1 1 A 114 114 HIS CB C 114 28.900 29.879 -0.979 1
1 1291 . 1 1 1 A 114 114 HIS N N 114 120.800 124.518 -3.718 1
1 9 . 2 1 1 A 2 2 GLN H H 2 8.840 8.718 0.122 1
1 10 . 2 1 1 A 2 2 GLN HA H 2 4.310 4.992 -0.682 1
1 17 . 2 1 1 A 2 2 GLN CA C 2 55.600 54.062 1.538 1
1 18 . 2 1 1 A 2 2 GLN CB C 2 29.900 32.199 -2.299 1
1 20 . 2 1 1 A 2 2 GLN N N 2 124.000 121.800 2.200 1
1 22 . 2 1 1 A 3 3 ALA H H 3 8.780 8.456 0.324 1
1 23 . 2 1 1 A 3 3 ALA HA H 3 4.240 4.451 -0.211 1
1 27 . 2 1 1 A 3 3 ALA CA C 3 52.600 50.456 2.144 1
1 28 . 2 1 1 A 3 3 ALA CB C 3 18.800 18.834 -0.034 1
1 29 . 2 1 1 A 3 3 ALA N N 3 127.500 127.594 -0.094 1
1 30 . 2 1 1 A 4 4 ILE H H 4 8.490 8.125 0.365 1
1 31 . 2 1 1 A 4 4 ILE HA H 4 3.820 3.597 0.223 1
1 41 . 2 1 1 A 4 4 ILE CA C 4 63.700 64.957 -1.257 1
1 42 . 2 1 1 A 4 4 ILE CB C 4 37.800 37.651 0.149 1
1 46 . 2 1 1 A 4 4 ILE N N 4 120.900 123.134 -2.234 1
1 47 . 2 1 1 A 5 5 THR H H 5 7.730 7.879 -0.149 1
1 48 . 2 1 1 A 5 5 THR HA H 5 3.540 3.705 -0.165 1
1 53 . 2 1 1 A 5 5 THR CA C 5 64.700 65.195 -0.495 1
1 54 . 2 1 1 A 5 5 THR CB C 5 66.700 68.376 -1.676 1
1 56 . 2 1 1 A 5 5 THR N N 5 110.700 114.949 -4.249 1
1 57 . 2 1 1 A 6 6 GLU H H 6 7.220 7.676 -0.456 1
1 58 . 2 1 1 A 6 6 GLU HA H 6 3.940 3.954 -0.014 1
1 63 . 2 1 1 A 6 6 GLU CA C 6 59.200 59.497 -0.297 1
1 64 . 2 1 1 A 6 6 GLU CB C 6 28.900 29.072 -0.172 1
1 66 . 2 1 1 A 6 6 GLU N N 6 120.400 120.676 -0.276 1
1 67 . 2 1 1 A 7 7 ARG H H 7 7.930 7.570 0.360 1
1 68 . 2 1 1 A 7 7 ARG HA H 7 3.950 4.084 -0.134 1
1 75 . 2 1 1 A 7 7 ARG CA C 7 59.100 58.851 0.249 1
1 76 . 2 1 1 A 7 7 ARG CB C 7 30.100 29.652 0.448 1
1 79 . 2 1 1 A 7 7 ARG N N 7 119.900 118.613 1.287 1
1 80 . 2 1 1 A 8 8 LEU H H 8 8.130 8.174 -0.044 1
1 81 . 2 1 1 A 8 8 LEU HA H 8 4.150 3.925 0.225 1
1 91 . 2 1 1 A 8 8 LEU CA C 8 57.800 58.057 -0.257 1
1 92 . 2 1 1 A 8 8 LEU CB C 8 41.000 41.259 -0.259 1
1 96 . 2 1 1 A 8 8 LEU N N 8 119.600 121.302 -1.702 1
1 97 . 2 1 1 A 9 9 GLU H H 9 8.530 8.702 -0.172 1
1 98 . 2 1 1 A 9 9 GLU HA H 9 4.150 4.041 0.109 1
1 103 . 2 1 1 A 9 9 GLU CA C 9 59.100 59.556 -0.456 1
1 104 . 2 1 1 A 9 9 GLU CB C 9 28.300 29.472 -1.172 1
1 106 . 2 1 1 A 9 9 GLU N N 9 118.200 120.555 -2.355 1
1 107 . 2 1 1 A 10 10 ALA H H 10 7.800 8.119 -0.319 1
1 108 . 2 1 1 A 10 10 ALA HA H 10 4.230 4.084 0.146 1
1 112 . 2 1 1 A 10 10 ALA CA C 10 55.000 55.269 -0.269 1
1 113 . 2 1 1 A 10 10 ALA CB C 10 17.200 18.138 -0.938 1
1 114 . 2 1 1 A 10 10 ALA N N 10 122.900 122.120 0.780 1
1 115 . 2 1 1 A 11 11 MET H H 11 7.700 8.213 -0.513 1
1 116 . 2 1 1 A 11 11 MET HA H 11 4.040 4.177 -0.137 1
1 124 . 2 1 1 A 11 11 MET CA C 11 58.900 58.317 0.583 1
1 125 . 2 1 1 A 11 11 MET CB C 11 31.800 32.860 -1.060 1
1 128 . 2 1 1 A 11 11 MET N N 11 118.800 116.497 2.303 1
1 129 . 2 1 1 A 12 12 LEU H H 12 8.070 8.150 -0.080 1
1 130 . 2 1 1 A 12 12 LEU HA H 12 4.870 4.051 0.819 1
1 140 . 2 1 1 A 12 12 LEU CA C 12 56.900 58.239 -1.339 1
1 141 . 2 1 1 A 12 12 LEU CB C 12 41.900 41.329 0.571 1
1 145 . 2 1 1 A 12 12 LEU N N 12 122.500 121.778 0.722 1
1 146 . 2 1 1 A 13 13 ALA H H 13 8.150 7.887 0.263 1
1 147 . 2 1 1 A 13 13 ALA HA H 13 4.130 4.145 -0.015 1
1 151 . 2 1 1 A 13 13 ALA CA C 13 54.100 54.163 -0.063 1
1 152 . 2 1 1 A 13 13 ALA CB C 13 17.700 18.450 -0.750 1
1 153 . 2 1 1 A 13 13 ALA N N 13 122.300 120.394 1.906 1
1 154 . 2 1 1 A 14 14 GLN H H 14 7.560 7.532 0.028 1
1 155 . 2 1 1 A 14 14 GLN HA H 14 4.340 4.375 -0.035 1
1 162 . 2 1 1 A 14 14 GLN CA C 14 55.500 55.861 -0.361 1
1 163 . 2 1 1 A 14 14 GLN CB C 14 28.700 29.063 -0.363 1
1 165 . 2 1 1 A 14 14 GLN N N 14 115.100 115.989 -0.889 1
1 167 . 2 1 1 A 15 15 GLY H H 15 7.870 8.096 -0.226 1
1 168 . 2 1 1 A 15 15 GLY HA2 H 15 3.720 4.006 -0.286 1
1 169 . 2 1 1 A 15 15 GLY HA3 H 15 4.430 4.006 0.424 1
1 170 . 2 1 1 A 15 15 GLY CA C 15 45.100 45.664 -0.564 1
1 171 . 2 1 1 A 15 15 GLY N N 15 106.800 107.090 -0.290 1
1 172 . 2 1 1 A 16 16 THR H H 16 7.980 7.757 0.223 1
1 173 . 2 1 1 A 16 16 THR HA H 16 4.190 4.657 -0.467 1
1 178 . 2 1 1 A 16 16 THR CA C 16 62.600 60.622 1.978 1
1 179 . 2 1 1 A 16 16 THR CB C 16 68.800 69.261 -0.461 1
1 181 . 2 1 1 A 16 16 THR N N 16 120.800 114.862 5.938 1
1 182 . 2 1 1 A 17 17 ASP H H 17 8.110 8.171 -0.061 1
1 183 . 2 1 1 A 17 17 ASP HA H 17 4.830 4.738 0.092 1
1 186 . 2 1 1 A 17 17 ASP CA C 17 53.300 53.780 -0.480 1
1 187 . 2 1 1 A 17 17 ASP CB C 17 42.700 39.113 3.587 1
1 188 . 2 1 1 A 17 17 ASP N N 17 122.800 125.201 -2.401 1
1 189 . 2 1 1 A 18 18 ASN HA H 18 3.460 4.986 -1.526 1
1 194 . 2 1 1 A 18 18 ASN CA C 18 52.200 51.602 0.598 1
1 195 . 2 1 1 A 18 18 ASN CB C 18 39.600 41.032 -1.432 1
1 197 . 2 1 1 A 19 19 MET H H 19 8.260 8.550 -0.290 1
1 198 . 2 1 1 A 19 19 MET HA H 19 3.650 4.040 -0.390 1
1 206 . 2 1 1 A 19 19 MET CA C 19 61.100 58.093 3.007 1
1 207 . 2 1 1 A 19 19 MET CB C 19 32.900 32.207 0.693 1
1 210 . 2 1 1 A 19 19 MET N N 19 119.100 123.938 -4.838 1
1 211 . 2 1 1 A 20 20 LEU H H 20 8.350 8.060 0.290 1
1 212 . 2 1 1 A 20 20 LEU HA H 20 4.220 3.998 0.222 1
1 222 . 2 1 1 A 20 20 LEU CA C 20 57.500 57.829 -0.329 1
1 223 . 2 1 1 A 20 20 LEU CB C 20 41.200 41.711 -0.511 1
1 227 . 2 1 1 A 20 20 LEU N N 20 120.400 120.802 -0.402 1
1 228 . 2 1 1 A 21 21 LEU H H 21 8.520 8.201 0.319 1
1 229 . 2 1 1 A 21 21 LEU HA H 21 3.910 3.965 -0.055 1
1 239 . 2 1 1 A 21 21 LEU CA C 21 59.200 58.500 0.700 1
1 240 . 2 1 1 A 21 21 LEU CB C 21 42.400 41.653 0.747 1
1 244 . 2 1 1 A 21 21 LEU N N 21 125.500 120.155 5.345 1
1 245 . 2 1 1 A 22 22 ARG H H 22 7.830 8.034 -0.204 1
1 246 . 2 1 1 A 22 22 ARG HA H 22 4.230 4.186 0.044 1
1 253 . 2 1 1 A 22 22 ARG CA C 22 57.300 58.305 -1.005 1
1 254 . 2 1 1 A 22 22 ARG CB C 22 28.800 29.761 -0.961 1
1 257 . 2 1 1 A 22 22 ARG N N 22 117.200 118.180 -0.980 1
1 258 . 2 1 1 A 23 23 PHE H H 23 9.380 8.334 1.046 1
1 259 . 2 1 1 A 23 23 PHE HA H 23 3.950 4.095 -0.145 1
1 267 . 2 1 1 A 23 23 PHE CA C 23 61.500 61.128 0.372 1
1 268 . 2 1 1 A 23 23 PHE CB C 23 40.200 39.214 0.986 1
1 272 . 2 1 1 A 23 23 PHE N N 23 118.500 121.376 -2.876 1
1 273 . 2 1 1 A 24 24 THR H H 24 8.600 8.054 0.546 1
1 274 . 2 1 1 A 24 24 THR HA H 24 4.030 3.772 0.258 1
1 279 . 2 1 1 A 24 24 THR CA C 24 68.000 67.332 0.668 1
1 280 . 2 1 1 A 24 24 THR CB C 24 67.400 68.171 -0.771 1
1 282 . 2 1 1 A 24 24 THR N N 24 115.400 115.517 -0.117 1
1 283 . 2 1 1 A 25 25 LEU H H 25 8.200 7.661 0.539 1
1 284 . 2 1 1 A 25 25 LEU HA H 25 3.390 3.685 -0.295 1
1 294 . 2 1 1 A 25 25 LEU CA C 25 58.200 57.639 0.561 1
1 295 . 2 1 1 A 25 25 LEU CB C 25 42.200 41.257 0.943 1
1 299 . 2 1 1 A 25 25 LEU N N 25 124.500 120.281 4.219 1
1 300 . 2 1 1 A 26 26 GLY H H 26 8.520 7.658 0.862 1
1 301 . 2 1 1 A 26 26 GLY HA2 H 26 3.910 3.599 0.311 1
1 302 . 2 1 1 A 26 26 GLY HA3 H 26 3.570 3.624 -0.054 1
1 303 . 2 1 1 A 26 26 GLY CA C 26 48.400 46.888 1.512 1
1 304 . 2 1 1 A 26 26 GLY N N 26 104.600 106.550 -1.950 1
1 305 . 2 1 1 A 27 27 LYS H H 27 8.730 7.234 1.496 1
1 306 . 2 1 1 A 27 27 LYS HA H 27 2.970 3.245 -0.275 1
1 315 . 2 1 1 A 27 27 LYS CA C 27 59.100 58.942 0.158 1
1 316 . 2 1 1 A 27 27 LYS CB C 27 31.400 31.748 -0.348 1
1 320 . 2 1 1 A 27 27 LYS N N 27 121.200 121.756 -0.556 1
1 321 . 2 1 1 A 28 28 THR H H 28 7.420 7.645 -0.225 1
1 322 . 2 1 1 A 28 28 THR HA H 28 3.680 3.820 -0.140 1
1 327 . 2 1 1 A 28 28 THR CA C 28 67.100 66.364 0.736 1
1 328 . 2 1 1 A 28 28 THR CB C 28 67.700 68.280 -0.580 1
1 330 . 2 1 1 A 28 28 THR N N 28 114.500 118.164 -3.664 1
1 331 . 2 1 1 A 29 29 TYR H H 29 8.220 7.742 0.478 1
1 332 . 2 1 1 A 29 29 TYR HA H 29 4.380 4.335 0.045 1
1 339 . 2 1 1 A 29 29 TYR CA C 29 61.400 59.903 1.497 1
1 340 . 2 1 1 A 29 29 TYR CB C 29 37.100 37.372 -0.272 1
1 343 . 2 1 1 A 29 29 TYR N N 29 120.400 120.578 -0.178 1
1 344 . 2 1 1 A 30 30 ALA H H 30 8.500 7.982 0.518 1
1 345 . 2 1 1 A 30 30 ALA HA H 30 3.770 3.920 -0.150 1
1 349 . 2 1 1 A 30 30 ALA CA C 30 56.000 55.002 0.998 1
1 350 . 2 1 1 A 30 30 ALA CB C 30 18.200 18.248 -0.048 1
1 351 . 2 1 1 A 30 30 ALA N N 30 123.300 122.992 0.308 1
1 352 . 2 1 1 A 31 31 GLU H H 31 8.940 8.161 0.779 1
1 353 . 2 1 1 A 31 31 GLU HA H 31 4.180 4.254 -0.074 1
1 358 . 2 1 1 A 31 31 GLU CA C 31 58.600 58.208 0.392 1
1 359 . 2 1 1 A 31 31 GLU CB C 31 28.700 29.395 -0.695 1
1 361 . 2 1 1 A 31 31 GLU N N 31 120.700 118.997 1.703 1
1 362 . 2 1 1 A 32 32 HIS H H 32 7.340 7.385 -0.045 1
1 363 . 2 1 1 A 32 32 HIS HA H 32 4.740 4.547 0.193 1
1 368 . 2 1 1 A 32 32 HIS CA C 32 54.800 55.637 -0.837 1
1 369 . 2 1 1 A 32 32 HIS CB C 32 28.200 29.772 -1.572 1
1 372 . 2 1 1 A 32 32 HIS N N 32 115.300 115.608 -0.308 1
1 373 . 2 1 1 A 33 33 GLU H H 33 7.830 7.579 0.251 1
1 374 . 2 1 1 A 33 33 GLU HA H 33 2.500 3.106 -0.606 1
1 379 . 2 1 1 A 33 33 GLU CA C 33 56.800 57.473 -0.673 1
1 380 . 2 1 1 A 33 33 GLU CB C 33 25.000 29.318 -4.318 1
1 382 . 2 1 1 A 33 33 GLU N N 33 112.200 117.832 -5.632 1
1 383 . 2 1 1 A 34 34 GLN H H 34 8.030 8.099 -0.069 1
1 384 . 2 1 1 A 34 34 GLN HA H 34 4.460 4.380 0.080 1
1 391 . 2 1 1 A 34 34 GLN CA C 34 53.200 54.347 -1.147 1
1 392 . 2 1 1 A 34 34 GLN CB C 34 26.500 27.737 -1.237 1
1 394 . 2 1 1 A 34 34 GLN N N 34 121.000 118.841 2.159 1
1 396 . 2 1 1 A 35 35 PHE H H 35 7.050 7.777 -0.727 1
1 397 . 2 1 1 A 35 35 PHE HA H 35 4.180 4.313 -0.133 1
1 405 . 2 1 1 A 35 35 PHE CA C 35 60.700 60.945 -0.245 1
1 406 . 2 1 1 A 35 35 PHE CB C 35 38.200 38.668 -0.468 1
1 410 . 2 1 1 A 35 35 PHE N N 35 118.600 122.845 -4.245 1
1 411 . 2 1 1 A 36 36 ASP H H 36 8.410 8.545 -0.135 1
1 412 . 2 1 1 A 36 36 ASP HA H 36 4.200 4.393 -0.193 1
1 415 . 2 1 1 A 36 36 ASP CA C 36 56.700 57.851 -1.151 1
1 416 . 2 1 1 A 36 36 ASP CB C 36 38.800 41.897 -3.097 1
1 417 . 2 1 1 A 36 36 ASP N N 36 117.000 119.320 -2.320 1
1 418 . 2 1 1 A 37 37 ALA H H 37 7.540 7.648 -0.108 1
1 419 . 2 1 1 A 37 37 ALA HA H 37 3.860 4.069 -0.209 1
1 423 . 2 1 1 A 37 37 ALA CA C 37 52.900 54.655 -1.755 1
1 424 . 2 1 1 A 37 37 ALA CB C 37 16.300 17.948 -1.648 1
1 425 . 2 1 1 A 37 37 ALA N N 37 120.900 120.800 0.100 1
1 426 . 2 1 1 A 38 38 ALA H H 38 7.700 7.764 -0.064 1
1 427 . 2 1 1 A 38 38 ALA HA H 38 4.210 4.048 0.162 1
1 431 . 2 1 1 A 38 38 ALA CA C 38 55.100 55.145 -0.045 1
1 432 . 2 1 1 A 38 38 ALA CB C 38 20.500 18.080 2.420 1
1 433 . 2 1 1 A 38 38 ALA N N 38 117.600 120.250 -2.650 1
1 434 . 2 1 1 A 39 39 LEU H H 39 7.430 7.842 -0.412 1
1 435 . 2 1 1 A 39 39 LEU HA H 39 4.050 3.981 0.069 1
1 445 . 2 1 1 A 39 39 LEU CA C 39 60.500 60.029 0.471 1
1 446 . 2 1 1 A 39 39 LEU CB C 39 39.200 40.122 -0.922 1
1 450 . 2 1 1 A 39 39 LEU N N 39 114.900 118.032 -3.132 1
1 451 . 2 1 1 A 40 40 PRO HA H 40 4.180 4.346 -0.166 1
1 458 . 2 1 1 A 40 40 PRO CA C 40 65.100 65.832 -0.732 1
1 459 . 2 1 1 A 40 40 PRO CB C 40 30.600 30.723 -0.123 1
1 462 . 2 1 1 A 41 41 HIS H H 41 6.570 7.151 -0.581 1
1 463 . 2 1 1 A 41 41 HIS HA H 41 4.740 4.167 0.573 1
1 468 . 2 1 1 A 41 41 HIS CA C 41 58.800 59.559 -0.759 1
1 469 . 2 1 1 A 41 41 HIS CB C 41 30.800 29.747 1.053 1
1 472 . 2 1 1 A 41 41 HIS N N 41 116.500 117.622 -1.122 1
1 473 . 2 1 1 A 42 42 LEU H H 42 8.140 8.647 -0.507 1
1 474 . 2 1 1 A 42 42 LEU HA H 42 4.120 4.098 0.022 1
1 484 . 2 1 1 A 42 42 LEU CA C 42 57.800 57.982 -0.182 1
1 485 . 2 1 1 A 42 42 LEU CB C 42 42.100 41.921 0.179 1
1 489 . 2 1 1 A 42 42 LEU N N 42 119.900 120.484 -0.584 1
1 490 . 2 1 1 A 43 43 ARG H H 43 8.300 8.292 0.008 1
1 491 . 2 1 1 A 43 43 ARG HA H 43 3.740 4.155 -0.415 1
1 498 . 2 1 1 A 43 43 ARG CA C 43 59.700 59.071 0.629 1
1 499 . 2 1 1 A 43 43 ARG CB C 43 28.300 29.895 -1.595 1
1 502 . 2 1 1 A 43 43 ARG N N 43 116.400 119.382 -2.982 1
1 503 . 2 1 1 A 44 44 ALA H H 44 7.850 7.822 0.028 1
1 504 . 2 1 1 A 44 44 ALA HA H 44 4.060 4.107 -0.047 1
1 508 . 2 1 1 A 44 44 ALA CA C 44 54.600 55.091 -0.491 1
1 509 . 2 1 1 A 44 44 ALA CB C 44 17.000 18.127 -1.127 1
1 510 . 2 1 1 A 44 44 ALA N N 44 121.000 122.106 -1.106 1
1 511 . 2 1 1 A 45 45 ALA H H 45 8.440 7.911 0.529 1
1 512 . 2 1 1 A 45 45 ALA HA H 45 4.270 4.299 -0.029 1
1 516 . 2 1 1 A 45 45 ALA CA C 45 56.200 55.126 1.074 1
1 517 . 2 1 1 A 45 45 ALA CB C 45 17.000 18.422 -1.422 1
1 518 . 2 1 1 A 45 45 ALA N N 45 121.200 121.039 0.161 1
1 519 . 2 1 1 A 46 46 LEU H H 46 7.310 8.175 -0.865 1
1 520 . 2 1 1 A 46 46 LEU HA H 46 4.010 4.093 -0.083 1
1 530 . 2 1 1 A 46 46 LEU CA C 46 55.900 57.840 -1.940 1
1 531 . 2 1 1 A 46 46 LEU CB C 46 42.200 41.139 1.061 1
1 535 . 2 1 1 A 46 46 LEU N N 46 116.800 119.400 -2.600 1
1 536 . 2 1 1 A 47 47 ASP H H 47 7.590 8.267 -0.677 1
1 537 . 2 1 1 A 47 47 ASP HA H 47 4.440 4.292 0.148 1
1 540 . 2 1 1 A 47 47 ASP CA C 47 55.500 57.141 -1.641 1
1 541 . 2 1 1 A 47 47 ASP CB C 47 39.200 40.680 -1.480 1
1 542 . 2 1 1 A 47 47 ASP N N 47 118.900 119.755 -0.855 1
1 543 . 2 1 1 A 48 48 PHE H H 48 7.490 7.640 -0.150 1
1 544 . 2 1 1 A 48 48 PHE HA H 48 4.450 4.331 0.119 1
1 552 . 2 1 1 A 48 48 PHE CA C 48 61.200 59.794 1.406 1
1 553 . 2 1 1 A 48 48 PHE CB C 48 39.600 40.061 -0.461 1
1 557 . 2 1 1 A 48 48 PHE N N 48 117.200 116.431 0.769 1
1 558 . 2 1 1 A 49 49 ASP H H 49 7.790 7.970 -0.180 1
1 559 . 2 1 1 A 49 49 ASP HA H 49 4.980 5.066 -0.086 1
1 562 . 2 1 1 A 49 49 ASP CA C 49 51.000 51.547 -0.547 1
1 563 . 2 1 1 A 49 49 ASP CB C 49 41.800 41.533 0.267 1
1 564 . 2 1 1 A 49 49 ASP N N 49 113.500 117.608 -4.108 1
1 565 . 2 1 1 A 50 50 PRO HA H 50 4.780 4.650 0.130 1
1 572 . 2 1 1 A 50 50 PRO CA C 50 64.000 64.234 -0.234 1
1 573 . 2 1 1 A 50 50 PRO CB C 50 32.000 31.909 0.091 1
1 576 . 2 1 1 A 51 51 THR H H 51 8.640 8.045 0.595 1
1 577 . 2 1 1 A 51 51 THR HA H 51 4.620 4.944 -0.324 1
1 582 . 2 1 1 A 51 51 THR CA C 51 60.900 62.233 -1.333 1
1 583 . 2 1 1 A 51 51 THR CB C 51 68.600 69.553 -0.953 1
1 585 . 2 1 1 A 51 51 THR N N 51 111.900 108.715 3.185 1
1 586 . 2 1 1 A 52 52 TYR H H 52 7.350 7.605 -0.255 1
1 587 . 2 1 1 A 52 52 TYR HA H 52 4.820 4.442 0.378 1
1 594 . 2 1 1 A 52 52 TYR CA C 52 56.100 55.977 0.123 1
1 595 . 2 1 1 A 52 52 TYR CB C 52 35.900 38.015 -2.115 1
1 598 . 2 1 1 A 52 52 TYR N N 52 122.600 124.387 -1.787 1
1 599 . 2 1 1 A 53 53 SER H H 53 8.480 7.607 0.873 1
1 600 . 2 1 1 A 53 53 SER HA H 53 4.170 1.559 2.611 1
1 603 . 2 1 1 A 53 53 SER CA C 53 62.900 61.506 1.394 1
1 604 . 2 1 1 A 53 53 SER CB C 53 62.900 62.324 0.576 1
1 605 . 2 1 1 A 53 53 SER N N 53 127.100 122.319 4.781 1
1 606 . 2 1 1 A 54 54 VAL H H 54 7.860 7.608 0.252 1
1 607 . 2 1 1 A 54 54 VAL HA H 54 3.850 3.656 0.194 1
1 615 . 2 1 1 A 54 54 VAL CA C 54 65.500 66.600 -1.100 1
1 616 . 2 1 1 A 54 54 VAL CB C 54 31.200 31.584 -0.384 1
1 619 . 2 1 1 A 54 54 VAL N N 54 116.800 121.508 -4.708 1
1 620 . 2 1 1 A 55 55 ALA H H 55 7.120 8.132 -1.012 1
1 621 . 2 1 1 A 55 55 ALA HA H 55 4.490 4.535 -0.045 1
1 625 . 2 1 1 A 55 55 ALA CA C 55 55.700 55.252 0.448 1
1 626 . 2 1 1 A 55 55 ALA CB C 55 16.700 18.634 -1.934 1
1 627 . 2 1 1 A 55 55 ALA N N 55 123.000 121.428 1.572 1
1 628 . 2 1 1 A 56 56 TRP H H 56 7.340 7.539 -0.199 1
1 629 . 2 1 1 A 56 56 TRP HA H 56 4.160 4.591 -0.431 1
1 638 . 2 1 1 A 56 56 TRP CA C 56 60.700 60.060 0.640 1
1 639 . 2 1 1 A 56 56 TRP CB C 56 30.100 29.084 1.016 1
1 645 . 2 1 1 A 56 56 TRP N N 56 119.300 118.538 0.762 1
1 647 . 2 1 1 A 57 57 LYS H H 57 8.330 7.826 0.504 1
1 648 . 2 1 1 A 57 57 LYS HA H 57 3.970 4.092 -0.122 1
1 657 . 2 1 1 A 57 57 LYS CA C 57 59.300 59.352 -0.052 1
1 658 . 2 1 1 A 57 57 LYS CB C 57 34.400 32.065 2.335 1
1 662 . 2 1 1 A 57 57 LYS N N 57 117.700 120.861 -3.161 1
1 663 . 2 1 1 A 58 58 TRP H H 58 8.170 8.041 0.129 1
1 664 . 2 1 1 A 58 58 TRP HA H 58 4.230 4.602 -0.372 1
1 673 . 2 1 1 A 58 58 TRP CA C 58 61.600 60.183 1.417 1
1 674 . 2 1 1 A 58 58 TRP CB C 58 29.000 29.604 -0.604 1
1 680 . 2 1 1 A 58 58 TRP N N 58 119.100 120.693 -1.593 1
1 682 . 2 1 1 A 59 59 LEU H H 59 9.500 8.762 0.738 1
1 683 . 2 1 1 A 59 59 LEU HA H 59 4.090 4.062 0.028 1
1 693 . 2 1 1 A 59 59 LEU CA C 59 58.500 58.090 0.410 1
1 694 . 2 1 1 A 59 59 LEU CB C 59 41.300 42.108 -0.808 1
1 698 . 2 1 1 A 59 59 LEU N N 59 127.300 121.476 5.824 1
1 699 . 2 1 1 A 60 60 GLY H H 60 8.480 8.092 0.388 1
1 700 . 2 1 1 A 60 60 GLY HA2 H 60 3.050 3.080 -0.030 1
1 701 . 2 1 1 A 60 60 GLY HA3 H 60 2.250 3.309 -1.059 1
1 702 . 2 1 1 A 60 60 GLY CA C 60 47.500 46.746 0.754 1
1 703 . 2 1 1 A 60 60 GLY N N 60 105.100 105.991 -0.891 1
1 704 . 2 1 1 A 61 61 LYS H H 61 7.680 7.810 -0.130 1
1 705 . 2 1 1 A 61 61 LYS HA H 61 3.890 4.151 -0.261 1
1 714 . 2 1 1 A 61 61 LYS CA C 61 59.300 59.657 -0.357 1
1 715 . 2 1 1 A 61 61 LYS CB C 61 32.000 32.377 -0.377 1
1 719 . 2 1 1 A 61 61 LYS N N 61 118.600 122.121 -3.521 1
1 720 . 2 1 1 A 62 62 THR H H 62 8.030 7.975 0.055 1
1 721 . 2 1 1 A 62 62 THR HA H 62 3.780 4.061 -0.281 1
1 726 . 2 1 1 A 62 62 THR CA C 62 67.400 67.096 0.304 1
1 727 . 2 1 1 A 62 62 THR CB C 62 66.300 67.806 -1.506 1
1 729 . 2 1 1 A 62 62 THR N N 62 120.100 118.769 1.331 1
1 730 . 2 1 1 A 63 63 LEU H H 63 8.090 8.043 0.047 1
1 731 . 2 1 1 A 63 63 LEU HA H 63 4.080 3.920 0.160 1
1 741 . 2 1 1 A 63 63 LEU CA C 63 57.800 57.833 -0.033 1
1 742 . 2 1 1 A 63 63 LEU CB C 63 40.800 40.520 0.280 1
1 746 . 2 1 1 A 63 63 LEU N N 63 121.400 121.822 -0.422 1
1 747 . 2 1 1 A 64 64 GLN H H 64 8.300 7.833 0.467 1
1 748 . 2 1 1 A 64 64 GLN HA H 64 3.400 3.872 -0.472 1
1 755 . 2 1 1 A 64 64 GLN CA C 64 59.300 59.526 -0.226 1
1 756 . 2 1 1 A 64 64 GLN CB C 64 28.100 27.939 0.161 1
1 758 . 2 1 1 A 64 64 GLN N N 64 119.500 118.801 0.699 1
1 760 . 2 1 1 A 65 65 GLY H H 65 7.720 7.672 0.048 1
1 761 . 2 1 1 A 65 65 GLY HA2 H 65 2.300 3.407 -1.107 1
1 762 . 2 1 1 A 65 65 GLY HA3 H 65 3.430 3.670 -0.240 1
1 763 . 2 1 1 A 65 65 GLY CA C 65 46.000 46.468 -0.468 1
1 764 . 2 1 1 A 65 65 GLY N N 65 110.300 107.016 3.284 1
1 765 . 2 1 1 A 66 66 GLN H H 66 7.250 7.140 0.110 1
1 766 . 2 1 1 A 66 66 GLN HA H 66 4.270 4.287 -0.017 1
1 773 . 2 1 1 A 66 66 GLN CA C 66 55.900 55.685 0.215 1
1 774 . 2 1 1 A 66 66 GLN CB C 66 30.000 29.094 0.906 1
1 776 . 2 1 1 A 66 66 GLN N N 66 117.500 118.061 -0.561 1
1 778 . 2 1 1 A 67 67 GLY H H 67 7.800 7.785 0.015 1
1 779 . 2 1 1 A 67 67 GLY HA2 H 67 4.230 3.927 0.303 1
1 780 . 2 1 1 A 67 67 GLY HA3 H 67 3.660 3.937 -0.277 1
1 781 . 2 1 1 A 67 67 GLY CA C 67 44.800 44.968 -0.168 1
1 782 . 2 1 1 A 67 67 GLY N N 67 107.400 106.472 0.928 1
1 783 . 2 1 1 A 68 68 ASP H H 68 8.100 7.378 0.722 1
1 784 . 2 1 1 A 68 68 ASP HA H 68 4.780 4.700 0.080 1
1 787 . 2 1 1 A 68 68 ASP CA C 68 51.100 52.917 -1.817 1
1 788 . 2 1 1 A 68 68 ASP CB C 68 38.800 39.861 -1.061 1
1 789 . 2 1 1 A 68 68 ASP N N 68 121.600 120.361 1.239 1
1 790 . 2 1 1 A 69 69 ARG H H 69 7.770 8.008 -0.238 1
1 791 . 2 1 1 A 69 69 ARG HA H 69 3.650 3.848 -0.198 1
1 798 . 2 1 1 A 69 69 ARG CA C 69 59.800 59.593 0.207 1
1 799 . 2 1 1 A 69 69 ARG CB C 69 28.700 29.889 -1.189 1
1 802 . 2 1 1 A 69 69 ARG N N 69 123.700 126.512 -2.812 1
1 803 . 2 1 1 A 70 70 ALA H H 70 8.490 8.182 0.308 1
1 804 . 2 1 1 A 70 70 ALA HA H 70 4.040 4.041 -0.001 1
1 808 . 2 1 1 A 70 70 ALA CA C 70 54.700 54.839 -0.139 1
1 809 . 2 1 1 A 70 70 ALA CB C 70 17.800 18.862 -1.062 1
1 810 . 2 1 1 A 70 70 ALA N N 70 122.400 121.424 0.976 1
1 811 . 2 1 1 A 71 71 GLY H H 71 8.540 8.718 -0.178 1
1 812 . 2 1 1 A 71 71 GLY HA2 H 71 3.570 3.714 -0.144 1
1 813 . 2 1 1 A 71 71 GLY HA3 H 71 3.710 3.724 -0.014 1
1 814 . 2 1 1 A 71 71 GLY CA C 71 47.100 47.182 -0.082 1
1 815 . 2 1 1 A 71 71 GLY N N 71 109.100 108.289 0.811 1
1 816 . 2 1 1 A 72 72 ALA H H 72 8.060 8.016 0.044 1
1 817 . 2 1 1 A 72 72 ALA HA H 72 3.310 3.576 -0.266 1
1 821 . 2 1 1 A 72 72 ALA CA C 72 55.200 54.715 0.485 1
1 822 . 2 1 1 A 72 72 ALA CB C 72 17.200 18.538 -1.338 1
1 823 . 2 1 1 A 72 72 ALA N N 72 126.600 125.006 1.594 1
1 824 . 2 1 1 A 73 73 ARG H H 73 7.840 7.380 0.460 1
1 825 . 2 1 1 A 73 73 ARG HA H 73 3.760 4.172 -0.412 1
1 832 . 2 1 1 A 73 73 ARG CA C 73 59.700 59.576 0.124 1
1 833 . 2 1 1 A 73 73 ARG CB C 73 29.800 29.773 0.027 1
1 836 . 2 1 1 A 73 73 ARG N N 73 116.300 118.716 -2.416 1
1 837 . 2 1 1 A 74 74 GLN H H 74 7.690 8.152 -0.462 1
1 838 . 2 1 1 A 74 74 GLN HA H 74 3.970 4.258 -0.288 1
1 845 . 2 1 1 A 74 74 GLN CA C 74 58.800 58.733 0.067 1
1 846 . 2 1 1 A 74 74 GLN CB C 74 28.400 28.290 0.110 1
1 848 . 2 1 1 A 74 74 GLN N N 74 116.500 118.012 -1.512 1
1 850 . 2 1 1 A 75 75 ALA H H 75 8.160 7.998 0.162 1
1 851 . 2 1 1 A 75 75 ALA HA H 75 4.350 4.075 0.275 1
1 855 . 2 1 1 A 75 75 ALA CA C 75 54.400 54.882 -0.482 1
1 856 . 2 1 1 A 75 75 ALA CB C 75 17.600 18.194 -0.594 1
1 857 . 2 1 1 A 75 75 ALA N N 75 121.900 122.339 -0.439 1
1 858 . 2 1 1 A 76 76 TRP H H 76 8.640 7.681 0.959 1
1 859 . 2 1 1 A 76 76 TRP HA H 76 4.640 4.437 0.203 1
1 868 . 2 1 1 A 76 76 TRP CA C 76 58.200 60.380 -2.180 1
1 869 . 2 1 1 A 76 76 TRP CB C 76 27.600 29.644 -2.044 1
1 875 . 2 1 1 A 76 76 TRP N N 76 118.400 118.287 0.113 1
1 877 . 2 1 1 A 77 77 GLU H H 77 9.050 8.175 0.875 1
1 878 . 2 1 1 A 77 77 GLU HA H 77 4.010 3.923 0.087 1
1 883 . 2 1 1 A 77 77 GLU CA C 77 58.900 59.922 -1.022 1
1 884 . 2 1 1 A 77 77 GLU CB C 77 28.100 29.349 -1.249 1
1 886 . 2 1 1 A 77 77 GLU N N 77 121.000 119.919 1.081 1
1 887 . 2 1 1 A 78 78 SER H H 78 8.280 8.013 0.267 1
1 888 . 2 1 1 A 78 78 SER HA H 78 3.800 4.166 -0.366 1
1 891 . 2 1 1 A 78 78 SER CA C 78 62.400 60.880 1.520 1
1 892 . 2 1 1 A 78 78 SER CB C 78 68.000 62.626 5.374 1
1 893 . 2 1 1 A 78 78 SER N N 78 120.000 115.575 4.425 1
1 894 . 2 1 1 A 79 79 GLY H H 79 8.580 8.484 0.096 1
1 895 . 2 1 1 A 79 79 GLY HA2 H 79 3.470 3.503 -0.033 1
1 896 . 2 1 1 A 79 79 GLY HA3 H 79 3.580 3.832 -0.252 1
1 897 . 2 1 1 A 79 79 GLY CA C 79 47.000 46.999 0.001 1
1 898 . 2 1 1 A 79 79 GLY N N 79 111.000 108.422 2.578 1
1 899 . 2 1 1 A 80 80 LEU H H 80 8.640 8.267 0.373 1
1 900 . 2 1 1 A 80 80 LEU HA H 80 3.830 4.151 -0.321 1
1 910 . 2 1 1 A 80 80 LEU CA C 80 58.200 57.453 0.747 1
1 911 . 2 1 1 A 80 80 LEU CB C 80 41.800 41.643 0.157 1
1 915 . 2 1 1 A 80 80 LEU N N 80 125.600 123.142 2.458 1
1 916 . 2 1 1 A 81 81 ALA H H 81 7.400 7.951 -0.551 1
1 917 . 2 1 1 A 81 81 ALA HA H 81 4.140 3.933 0.207 1
1 921 . 2 1 1 A 81 81 ALA CA C 81 54.600 55.121 -0.521 1
1 922 . 2 1 1 A 81 81 ALA CB C 81 17.500 18.158 -0.658 1
1 923 . 2 1 1 A 81 81 ALA N N 81 120.400 120.406 -0.006 1
1 924 . 2 1 1 A 82 82 ALA H H 82 7.640 7.602 0.038 1
1 925 . 2 1 1 A 82 82 ALA HA H 82 4.160 3.893 0.267 1
1 929 . 2 1 1 A 82 82 ALA CA C 82 54.700 54.660 0.040 1
1 930 . 2 1 1 A 82 82 ALA CB C 82 17.200 18.096 -0.896 1
1 931 . 2 1 1 A 82 82 ALA N N 82 120.900 120.056 0.844 1
1 932 . 2 1 1 A 83 83 ALA H H 83 8.910 7.982 0.928 1
1 933 . 2 1 1 A 83 83 ALA HA H 83 4.260 4.377 -0.117 1
1 937 . 2 1 1 A 83 83 ALA CA C 83 54.900 55.364 -0.464 1
1 938 . 2 1 1 A 83 83 ALA CB C 83 18.600 18.173 0.427 1
1 939 . 2 1 1 A 83 83 ALA N N 83 122.000 119.858 2.142 1
1 940 . 2 1 1 A 84 84 GLN H H 84 8.770 8.384 0.386 1
1 941 . 2 1 1 A 84 84 GLN HA H 84 3.940 4.044 -0.104 1
1 948 . 2 1 1 A 84 84 GLN CA C 84 58.800 59.068 -0.268 1
1 949 . 2 1 1 A 84 84 GLN CB C 84 28.200 28.185 0.015 1
1 951 . 2 1 1 A 84 84 GLN N N 84 118.400 118.746 -0.346 1
1 953 . 2 1 1 A 85 85 SER H H 85 7.920 8.435 -0.515 1
1 954 . 2 1 1 A 85 85 SER HA H 85 4.250 4.110 0.140 1
1 957 . 2 1 1 A 85 85 SER CA C 85 61.200 61.673 -0.473 1
1 958 . 2 1 1 A 85 85 SER CB C 85 62.700 62.893 -0.193 1
1 959 . 2 1 1 A 85 85 SER N N 85 115.200 117.284 -2.084 1
1 960 . 2 1 1 A 86 86 ARG H H 86 7.590 7.914 -0.324 1
1 961 . 2 1 1 A 86 86 ARG HA H 86 4.380 4.403 -0.023 1
1 968 . 2 1 1 A 86 86 ARG CA C 86 55.800 56.072 -0.272 1
1 969 . 2 1 1 A 86 86 ARG CB C 86 31.200 30.834 0.366 1
1 972 . 2 1 1 A 86 86 ARG N N 86 117.800 118.349 -0.549 1
1 973 . 2 1 1 A 87 87 GLY H H 87 7.790 8.071 -0.281 1
1 974 . 2 1 1 A 87 87 GLY HA2 H 87 3.870 3.955 -0.085 1
1 975 . 2 1 1 A 87 87 GLY HA3 H 87 4.080 3.957 0.123 1
1 976 . 2 1 1 A 87 87 GLY CA C 87 46.100 46.110 -0.010 1
1 977 . 2 1 1 A 87 87 GLY N N 87 109.100 109.314 -0.214 1
1 978 . 2 1 1 A 88 88 ASP H H 88 8.210 7.983 0.227 1
1 979 . 2 1 1 A 88 88 ASP HA H 88 4.830 4.851 -0.021 1
1 982 . 2 1 1 A 88 88 ASP CA C 88 52.100 52.906 -0.806 1
1 983 . 2 1 1 A 88 88 ASP CB C 88 39.000 38.822 0.178 1
1 984 . 2 1 1 A 88 88 ASP N N 88 120.200 121.175 -0.975 1
1 985 . 2 1 1 A 89 89 GLN H H 89 8.110 8.245 -0.135 1
1 986 . 2 1 1 A 89 89 GLN HA H 89 3.840 4.036 -0.196 1
1 993 . 2 1 1 A 89 89 GLN CA C 89 58.500 58.970 -0.470 1
1 994 . 2 1 1 A 89 89 GLN CB C 89 28.000 28.745 -0.745 1
1 996 . 2 1 1 A 89 89 GLN N N 89 122.400 123.280 -0.880 1
1 998 . 2 1 1 A 90 90 GLN H H 90 8.720 7.811 0.909 1
1 999 . 2 1 1 A 90 90 GLN HA H 90 4.000 4.131 -0.131 1
1 1006 . 2 1 1 A 90 90 GLN CA C 90 58.800 58.640 0.160 1
1 1007 . 2 1 1 A 90 90 GLN CB C 90 27.800 28.121 -0.321 1
1 1009 . 2 1 1 A 90 90 GLN N N 90 119.100 119.952 -0.852 1
1 1011 . 2 1 1 A 91 91 VAL H H 91 7.170 7.810 -0.640 1
1 1012 . 2 1 1 A 91 91 VAL HA H 91 3.660 3.643 0.017 1
1 1020 . 2 1 1 A 91 91 VAL CA C 91 65.500 66.303 -0.803 1
1 1021 . 2 1 1 A 91 91 VAL CB C 91 31.300 31.568 -0.268 1
1 1024 . 2 1 1 A 91 91 VAL N N 91 119.900 119.852 0.048 1
1 1025 . 2 1 1 A 92 92 VAL H H 92 7.880 7.860 0.020 1
1 1026 . 2 1 1 A 92 92 VAL HA H 92 3.240 3.586 -0.346 1
1 1034 . 2 1 1 A 92 92 VAL CA C 92 67.300 66.924 0.376 1
1 1035 . 2 1 1 A 92 92 VAL CB C 92 31.500 31.373 0.127 1
1 1038 . 2 1 1 A 92 92 VAL N N 92 119.900 120.718 -0.818 1
1 1039 . 2 1 1 A 93 93 LYS H H 93 7.480 7.798 -0.318 1
1 1040 . 2 1 1 A 93 93 LYS HA H 93 3.920 3.903 0.017 1
1 1049 . 2 1 1 A 93 93 LYS CA C 93 59.300 60.075 -0.775 1
1 1050 . 2 1 1 A 93 93 LYS CB C 93 31.900 31.990 -0.090 1
1 1054 . 2 1 1 A 93 93 LYS N N 93 116.000 118.552 -2.552 1
1 1055 . 2 1 1 A 94 94 GLU H H 94 7.480 7.902 -0.422 1
1 1056 . 2 1 1 A 94 94 GLU HA H 94 3.580 4.082 -0.502 1
1 1061 . 2 1 1 A 94 94 GLU CA C 94 58.600 58.729 -0.129 1
1 1062 . 2 1 1 A 94 94 GLU CB C 94 29.500 29.900 -0.400 1
1 1064 . 2 1 1 A 94 94 GLU N N 94 117.500 120.737 -3.237 1
1 1065 . 2 1 1 A 95 95 LEU H H 95 8.370 8.719 -0.349 1
1 1066 . 2 1 1 A 95 95 LEU HA H 95 3.530 4.252 -0.722 1
1 1076 . 2 1 1 A 95 95 LEU CA C 95 57.600 57.832 -0.232 1
1 1077 . 2 1 1 A 95 95 LEU CB C 95 40.900 40.984 -0.084 1
1 1081 . 2 1 1 A 95 95 LEU N N 95 117.500 120.183 -2.683 1
1 1082 . 2 1 1 A 96 96 GLN H H 96 8.330 8.330 0.000 1
1 1083 . 2 1 1 A 96 96 GLN HA H 96 3.980 3.992 -0.012 1
1 1090 . 2 1 1 A 96 96 GLN CA C 96 58.900 58.983 -0.083 1
1 1091 . 2 1 1 A 96 96 GLN CB C 96 28.100 28.225 -0.125 1
1 1093 . 2 1 1 A 96 96 GLN N N 96 117.600 119.543 -1.943 1
1 1095 . 2 1 1 A 97 97 VAL H H 97 7.450 7.531 -0.081 1
1 1096 . 2 1 1 A 97 97 VAL HA H 97 3.450 3.472 -0.022 1
1 1104 . 2 1 1 A 97 97 VAL CA C 97 66.700 66.075 0.625 1
1 1105 . 2 1 1 A 97 97 VAL CB C 97 31.000 31.141 -0.141 1
1 1108 . 2 1 1 A 97 97 VAL N N 97 120.300 118.537 1.763 1
1 1109 . 2 1 1 A 98 98 PHE H H 98 7.460 7.294 0.166 1
1 1110 . 2 1 1 A 98 98 PHE HA H 98 3.980 3.901 0.079 1
1 1118 . 2 1 1 A 98 98 PHE CA C 98 58.700 60.593 -1.893 1
1 1119 . 2 1 1 A 98 98 PHE CB C 98 35.500 37.626 -2.126 1
1 1123 . 2 1 1 A 98 98 PHE N N 98 119.100 118.117 0.983 1
1 1124 . 2 1 1 A 99 99 LEU H H 99 8.330 7.848 0.482 1
1 1125 . 2 1 1 A 99 99 LEU HA H 99 4.090 3.953 0.137 1
1 1135 . 2 1 1 A 99 99 LEU CA C 99 57.800 57.654 0.146 1
1 1136 . 2 1 1 A 99 99 LEU CB C 99 41.800 41.367 0.433 1
1 1140 . 2 1 1 A 99 99 LEU N N 99 119.300 119.558 -0.258 1
1 1141 . 2 1 1 A 100 100 ARG H H 100 8.350 7.837 0.513 1
1 1142 . 2 1 1 A 100 100 ARG HA H 100 4.110 4.033 0.077 1
1 1149 . 2 1 1 A 100 100 ARG CA C 100 59.300 59.509 -0.209 1
1 1150 . 2 1 1 A 100 100 ARG CB C 100 29.900 29.994 -0.094 1
1 1153 . 2 1 1 A 100 100 ARG N N 100 121.900 119.904 1.996 1
1 1154 . 2 1 1 A 101 101 ARG H H 101 8.110 7.567 0.543 1
1 1155 . 2 1 1 A 101 101 ARG HA H 101 4.020 4.111 -0.091 1
1 1162 . 2 1 1 A 101 101 ARG CA C 101 57.600 58.839 -1.239 1
1 1163 . 2 1 1 A 101 101 ARG CB C 101 30.200 30.060 0.140 1
1 1166 . 2 1 1 A 101 101 ARG N N 101 120.500 119.840 0.660 1
1 1167 . 2 1 1 A 102 102 LEU H H 102 7.890 8.224 -0.334 1
1 1168 . 2 1 1 A 102 102 LEU HA H 102 4.150 4.176 -0.026 1
1 1178 . 2 1 1 A 102 102 LEU CA C 102 57.600 57.560 0.040 1
1 1179 . 2 1 1 A 102 102 LEU CB C 102 42.300 41.693 0.607 1
1 1183 . 2 1 1 A 102 102 LEU N N 102 119.900 121.119 -1.219 1
1 1184 . 2 1 1 A 103 103 ALA H H 103 7.880 8.499 -0.619 1
1 1185 . 2 1 1 A 103 103 ALA HA H 103 4.170 3.978 0.192 1
1 1189 . 2 1 1 A 103 103 ALA CA C 103 54.700 55.215 -0.515 1
1 1190 . 2 1 1 A 103 103 ALA CB C 103 17.800 18.332 -0.532 1
1 1191 . 2 1 1 A 103 103 ALA N N 103 120.000 120.815 -0.815 1
1 1192 . 2 1 1 A 104 104 ARG H H 104 8.060 7.918 0.142 1
1 1193 . 2 1 1 A 104 104 ARG HA H 104 4.130 4.150 -0.020 1
1 1200 . 2 1 1 A 104 104 ARG CA C 104 58.500 59.954 -1.454 1
1 1201 . 2 1 1 A 104 104 ARG CB C 104 29.800 29.967 -0.167 1
1 1204 . 2 1 1 A 104 104 ARG N N 104 119.800 117.792 2.008 1
1 1205 . 2 1 1 A 105 105 GLU H H 105 8.050 8.085 -0.035 1
1 1206 . 2 1 1 A 105 105 GLU HA H 105 4.020 4.155 -0.135 1
1 1211 . 2 1 1 A 105 105 GLU CA C 105 58.500 59.268 -0.768 1
1 1212 . 2 1 1 A 105 105 GLU CB C 105 28.900 29.753 -0.853 1
1 1214 . 2 1 1 A 105 105 GLU N N 105 119.700 119.683 0.017 1
1 1215 . 2 1 1 A 106 106 ASP H H 106 8.360 8.064 0.296 1
1 1216 . 2 1 1 A 106 106 ASP HA H 106 4.380 4.364 0.016 1
1 1219 . 2 1 1 A 106 106 ASP CA C 106 56.500 57.329 -0.829 1
1 1220 . 2 1 1 A 106 106 ASP CB C 106 40.500 41.005 -0.505 1
1 1221 . 2 1 1 A 106 106 ASP N N 106 119.800 119.938 -0.138 1
1 1222 . 2 1 1 A 107 107 ALA H H 107 7.910 8.597 -0.687 1
1 1223 . 2 1 1 A 107 107 ALA HA H 107 4.150 4.136 0.014 1
1 1227 . 2 1 1 A 107 107 ALA CA C 107 54.200 55.124 -0.924 1
1 1228 . 2 1 1 A 107 107 ALA CB C 107 18.100 18.359 -0.259 1
1 1229 . 2 1 1 A 107 107 ALA N N 107 121.900 121.658 0.242 1
1 1230 . 2 1 1 A 108 108 LEU H H 108 7.840 7.530 0.310 1
1 1231 . 2 1 1 A 108 108 LEU HA H 108 4.120 4.310 -0.190 1
1 1241 . 2 1 1 A 108 108 LEU CA C 108 56.400 55.154 1.246 1
1 1242 . 2 1 1 A 108 108 LEU CB C 108 42.000 42.124 -0.124 1
1 1246 . 2 1 1 A 108 108 LEU N N 108 119.000 116.616 2.384 1
1 1247 . 2 1 1 A 109 109 GLU H H 109 7.860 7.993 -0.133 1
1 1248 . 2 1 1 A 109 109 GLU HA H 109 4.090 3.905 0.185 1
1 1253 . 2 1 1 A 109 109 GLU CA C 109 57.000 57.986 -0.986 1
1 1254 . 2 1 1 A 109 109 GLU CB C 109 29.100 28.057 1.043 1
1 1256 . 2 1 1 A 109 109 GLU N N 109 118.600 116.825 1.775 1
1 1257 . 2 1 1 A 110 110 HIS H H 110 8.140 8.278 -0.138 1
1 1258 . 2 1 1 A 110 110 HIS HA H 110 4.560 4.188 0.372 1
1 1261 . 2 1 1 A 110 110 HIS CA C 110 55.600 57.073 -1.473 1
1 1262 . 2 1 1 A 110 110 HIS CB C 110 28.300 28.439 -0.139 1
1 1263 . 2 1 1 A 110 110 HIS N N 110 117.000 115.283 1.717 1
1 1264 . 2 1 1 A 111 111 HIS H H 111 8.340 8.566 -0.226 1
1 1265 . 2 1 1 A 111 111 HIS HA H 111 4.600 4.146 0.454 1
1 1268 . 2 1 1 A 111 111 HIS CA C 111 55.500 57.048 -1.548 1
1 1269 . 2 1 1 A 111 111 HIS CB C 111 28.500 28.908 -0.408 1
1 1270 . 2 1 1 A 111 111 HIS N N 111 117.800 115.474 2.326 1
1 1271 . 2 1 1 A 112 112 HIS H H 112 8.530 8.545 -0.015 1
1 1272 . 2 1 1 A 112 112 HIS HA H 112 4.620 4.084 0.536 1
1 1275 . 2 1 1 A 112 112 HIS CA C 112 55.300 56.974 -1.674 1
1 1276 . 2 1 1 A 112 112 HIS CB C 112 28.800 28.451 0.349 1
1 1277 . 2 1 1 A 112 112 HIS N N 112 119.000 115.937 3.063 1
1 1278 . 2 1 1 A 113 113 HIS H H 113 8.660 7.658 1.002 1
1 1279 . 2 1 1 A 113 113 HIS HA H 113 4.640 4.462 0.178 1
1 1282 . 2 1 1 A 113 113 HIS CA C 113 55.200 54.528 0.672 1
1 1283 . 2 1 1 A 113 113 HIS CB C 113 28.900 29.268 -0.368 1
1 1284 . 2 1 1 A 113 113 HIS N N 113 120.000 118.975 1.025 1
1 1285 . 2 1 1 A 114 114 HIS H H 114 8.630 7.919 0.711 1
1 1286 . 2 1 1 A 114 114 HIS HA H 114 4.610 4.497 0.113 1
1 1289 . 2 1 1 A 114 114 HIS CA C 114 55.200 55.930 -0.730 1
1 1290 . 2 1 1 A 114 114 HIS CB C 114 28.900 27.846 1.054 1
1 1291 . 2 1 1 A 114 114 HIS N N 114 120.800 124.713 -3.913 1
1 9 . 3 1 1 A 2 2 GLN H H 2 8.840 9.075 -0.235 1
1 10 . 3 1 1 A 2 2 GLN HA H 2 4.310 4.836 -0.526 1
1 17 . 3 1 1 A 2 2 GLN CA C 2 55.600 54.183 1.417 1
1 18 . 3 1 1 A 2 2 GLN CB C 2 29.900 31.957 -2.057 1
1 20 . 3 1 1 A 2 2 GLN N N 2 124.000 122.711 1.289 1
1 22 . 3 1 1 A 3 3 ALA H H 3 8.780 8.619 0.161 1
1 23 . 3 1 1 A 3 3 ALA HA H 3 4.240 4.082 0.158 1
1 27 . 3 1 1 A 3 3 ALA CA C 3 52.600 54.313 -1.713 1
1 28 . 3 1 1 A 3 3 ALA CB C 3 18.800 18.184 0.616 1
1 29 . 3 1 1 A 3 3 ALA N N 3 127.500 121.134 6.366 1
1 30 . 3 1 1 A 4 4 ILE H H 4 8.490 8.730 -0.240 1
1 31 . 3 1 1 A 4 4 ILE HA H 4 3.820 3.810 0.010 1
1 41 . 3 1 1 A 4 4 ILE CA C 4 63.700 63.893 -0.193 1
1 42 . 3 1 1 A 4 4 ILE CB C 4 37.800 37.418 0.382 1
1 46 . 3 1 1 A 4 4 ILE N N 4 120.900 121.022 -0.122 1
1 47 . 3 1 1 A 5 5 THR H H 5 7.730 8.087 -0.357 1
1 48 . 3 1 1 A 5 5 THR HA H 5 3.540 3.656 -0.116 1
1 53 . 3 1 1 A 5 5 THR CA C 5 64.700 66.956 -2.256 1
1 54 . 3 1 1 A 5 5 THR CB C 5 66.700 68.121 -1.421 1
1 56 . 3 1 1 A 5 5 THR N N 5 110.700 117.364 -6.664 1
1 57 . 3 1 1 A 6 6 GLU H H 6 7.220 8.451 -1.231 1
1 58 . 3 1 1 A 6 6 GLU HA H 6 3.940 3.871 0.069 1
1 63 . 3 1 1 A 6 6 GLU CA C 6 59.200 59.647 -0.447 1
1 64 . 3 1 1 A 6 6 GLU CB C 6 28.900 29.200 -0.300 1
1 66 . 3 1 1 A 6 6 GLU N N 6 120.400 118.872 1.528 1
1 67 . 3 1 1 A 7 7 ARG H H 7 7.930 8.007 -0.077 1
1 68 . 3 1 1 A 7 7 ARG HA H 7 3.950 4.074 -0.124 1
1 75 . 3 1 1 A 7 7 ARG CA C 7 59.100 58.837 0.263 1
1 76 . 3 1 1 A 7 7 ARG CB C 7 30.100 29.882 0.218 1
1 79 . 3 1 1 A 7 7 ARG N N 7 119.900 119.014 0.886 1
1 80 . 3 1 1 A 8 8 LEU H H 8 8.130 7.990 0.140 1
1 81 . 3 1 1 A 8 8 LEU HA H 8 4.150 3.955 0.195 1
1 91 . 3 1 1 A 8 8 LEU CA C 8 57.800 57.938 -0.138 1
1 92 . 3 1 1 A 8 8 LEU CB C 8 41.000 40.936 0.064 1
1 96 . 3 1 1 A 8 8 LEU N N 8 119.600 120.390 -0.790 1
1 97 . 3 1 1 A 9 9 GLU H H 9 8.530 8.457 0.073 1
1 98 . 3 1 1 A 9 9 GLU HA H 9 4.150 3.970 0.180 1
1 103 . 3 1 1 A 9 9 GLU CA C 9 59.100 59.560 -0.460 1
1 104 . 3 1 1 A 9 9 GLU CB C 9 28.300 29.219 -0.919 1
1 106 . 3 1 1 A 9 9 GLU N N 9 118.200 118.616 -0.416 1
1 107 . 3 1 1 A 10 10 ALA H H 10 7.800 7.775 0.025 1
1 108 . 3 1 1 A 10 10 ALA HA H 10 4.230 4.070 0.160 1
1 112 . 3 1 1 A 10 10 ALA CA C 10 55.000 55.253 -0.253 1
1 113 . 3 1 1 A 10 10 ALA CB C 10 17.200 18.352 -1.152 1
1 114 . 3 1 1 A 10 10 ALA N N 10 122.900 122.255 0.645 1
1 115 . 3 1 1 A 11 11 MET H H 11 7.700 8.101 -0.401 1
1 116 . 3 1 1 A 11 11 MET HA H 11 4.040 4.141 -0.101 1
1 124 . 3 1 1 A 11 11 MET CA C 11 58.900 58.059 0.841 1
1 125 . 3 1 1 A 11 11 MET CB C 11 31.800 32.511 -0.711 1
1 128 . 3 1 1 A 11 11 MET N N 11 118.800 116.736 2.064 1
1 129 . 3 1 1 A 12 12 LEU H H 12 8.070 8.429 -0.359 1
1 130 . 3 1 1 A 12 12 LEU HA H 12 4.870 4.035 0.835 1
1 140 . 3 1 1 A 12 12 LEU CA C 12 56.900 57.975 -1.075 1
1 141 . 3 1 1 A 12 12 LEU CB C 12 41.900 41.485 0.415 1
1 145 . 3 1 1 A 12 12 LEU N N 12 122.500 123.646 -1.146 1
1 146 . 3 1 1 A 13 13 ALA H H 13 8.150 7.832 0.318 1
1 147 . 3 1 1 A 13 13 ALA HA H 13 4.130 4.112 0.018 1
1 151 . 3 1 1 A 13 13 ALA CA C 13 54.100 54.569 -0.469 1
1 152 . 3 1 1 A 13 13 ALA CB C 13 17.700 18.229 -0.529 1
1 153 . 3 1 1 A 13 13 ALA N N 13 122.300 120.253 2.047 1
1 154 . 3 1 1 A 14 14 GLN H H 14 7.560 7.358 0.202 1
1 155 . 3 1 1 A 14 14 GLN HA H 14 4.340 4.346 -0.006 1
1 162 . 3 1 1 A 14 14 GLN CA C 14 55.500 55.956 -0.456 1
1 163 . 3 1 1 A 14 14 GLN CB C 14 28.700 28.989 -0.289 1
1 165 . 3 1 1 A 14 14 GLN N N 14 115.100 115.767 -0.667 1
1 167 . 3 1 1 A 15 15 GLY H H 15 7.870 7.848 0.022 1
1 168 . 3 1 1 A 15 15 GLY HA2 H 15 3.720 4.019 -0.299 1
1 169 . 3 1 1 A 15 15 GLY HA3 H 15 4.430 4.020 0.410 1
1 170 . 3 1 1 A 15 15 GLY CA C 15 45.100 44.959 0.141 1
1 171 . 3 1 1 A 15 15 GLY N N 15 106.800 106.114 0.686 1
1 172 . 3 1 1 A 16 16 THR H H 16 7.980 7.420 0.560 1
1 173 . 3 1 1 A 16 16 THR HA H 16 4.190 4.385 -0.195 1
1 178 . 3 1 1 A 16 16 THR CA C 16 62.600 61.434 1.166 1
1 179 . 3 1 1 A 16 16 THR CB C 16 68.800 66.581 2.219 1
1 181 . 3 1 1 A 16 16 THR N N 16 120.800 117.275 3.525 1
1 182 . 3 1 1 A 17 17 ASP H H 17 8.110 7.921 0.189 1
1 183 . 3 1 1 A 17 17 ASP HA H 17 4.830 5.035 -0.205 1
1 186 . 3 1 1 A 17 17 ASP CA C 17 53.300 53.374 -0.074 1
1 187 . 3 1 1 A 17 17 ASP CB C 17 42.700 44.337 -1.637 1
1 188 . 3 1 1 A 17 17 ASP N N 17 122.800 125.721 -2.921 1
1 189 . 3 1 1 A 18 18 ASN HA H 18 3.460 4.809 -1.349 1
1 194 . 3 1 1 A 18 18 ASN CA C 18 52.200 53.952 -1.752 1
1 195 . 3 1 1 A 18 18 ASN CB C 18 39.600 39.824 -0.224 1
1 197 . 3 1 1 A 19 19 MET H H 19 8.260 8.035 0.225 1
1 198 . 3 1 1 A 19 19 MET HA H 19 3.650 4.655 -1.005 1
1 206 . 3 1 1 A 19 19 MET CA C 19 61.100 56.478 4.622 1
1 207 . 3 1 1 A 19 19 MET CB C 19 32.900 35.186 -2.286 1
1 210 . 3 1 1 A 19 19 MET N N 19 119.100 117.065 2.035 1
1 211 . 3 1 1 A 20 20 LEU H H 20 8.350 7.854 0.496 1
1 212 . 3 1 1 A 20 20 LEU HA H 20 4.220 4.000 0.220 1
1 222 . 3 1 1 A 20 20 LEU CA C 20 57.500 58.955 -1.455 1
1 223 . 3 1 1 A 20 20 LEU CB C 20 41.200 41.743 -0.543 1
1 227 . 3 1 1 A 20 20 LEU N N 20 120.400 121.051 -0.651 1
1 228 . 3 1 1 A 21 21 LEU H H 21 8.520 8.303 0.217 1
1 229 . 3 1 1 A 21 21 LEU HA H 21 3.910 3.832 0.078 1
1 239 . 3 1 1 A 21 21 LEU CA C 21 59.200 58.094 1.106 1
1 240 . 3 1 1 A 21 21 LEU CB C 21 42.400 41.095 1.305 1
1 244 . 3 1 1 A 21 21 LEU N N 21 125.500 118.907 6.593 1
1 245 . 3 1 1 A 22 22 ARG H H 22 7.830 8.008 -0.178 1
1 246 . 3 1 1 A 22 22 ARG HA H 22 4.230 3.608 0.622 1
1 253 . 3 1 1 A 22 22 ARG CA C 22 57.300 59.527 -2.227 1
1 254 . 3 1 1 A 22 22 ARG CB C 22 28.800 29.721 -0.921 1
1 257 . 3 1 1 A 22 22 ARG N N 22 117.200 119.236 -2.036 1
1 258 . 3 1 1 A 23 23 PHE H H 23 9.380 8.331 1.049 1
1 259 . 3 1 1 A 23 23 PHE HA H 23 3.950 4.027 -0.077 1
1 267 . 3 1 1 A 23 23 PHE CA C 23 61.500 61.051 0.449 1
1 268 . 3 1 1 A 23 23 PHE CB C 23 40.200 39.088 1.112 1
1 272 . 3 1 1 A 23 23 PHE N N 23 118.500 120.114 -1.614 1
1 273 . 3 1 1 A 24 24 THR H H 24 8.600 8.340 0.260 1
1 274 . 3 1 1 A 24 24 THR HA H 24 4.030 3.778 0.252 1
1 279 . 3 1 1 A 24 24 THR CA C 24 68.000 67.290 0.710 1
1 280 . 3 1 1 A 24 24 THR CB C 24 67.400 67.859 -0.459 1
1 282 . 3 1 1 A 24 24 THR N N 24 115.400 115.022 0.378 1
1 283 . 3 1 1 A 25 25 LEU H H 25 8.200 8.391 -0.191 1
1 284 . 3 1 1 A 25 25 LEU HA H 25 3.390 3.568 -0.178 1
1 294 . 3 1 1 A 25 25 LEU CA C 25 58.200 57.732 0.468 1
1 295 . 3 1 1 A 25 25 LEU CB C 25 42.200 41.424 0.776 1
1 299 . 3 1 1 A 25 25 LEU N N 25 124.500 120.301 4.199 1
1 300 . 3 1 1 A 26 26 GLY H H 26 8.520 7.957 0.563 1
1 301 . 3 1 1 A 26 26 GLY HA2 H 26 3.910 3.666 0.244 1
1 302 . 3 1 1 A 26 26 GLY HA3 H 26 3.570 3.867 -0.297 1
1 303 . 3 1 1 A 26 26 GLY CA C 26 48.400 46.985 1.415 1
1 304 . 3 1 1 A 26 26 GLY N N 26 104.600 105.620 -1.020 1
1 305 . 3 1 1 A 27 27 LYS H H 27 8.730 7.754 0.976 1
1 306 . 3 1 1 A 27 27 LYS HA H 27 2.970 3.451 -0.481 1
1 315 . 3 1 1 A 27 27 LYS CA C 27 59.100 57.873 1.227 1
1 316 . 3 1 1 A 27 27 LYS CB C 27 31.400 31.669 -0.269 1
1 320 . 3 1 1 A 27 27 LYS N N 27 121.200 121.281 -0.081 1
1 321 . 3 1 1 A 28 28 THR H H 28 7.420 7.915 -0.495 1
1 322 . 3 1 1 A 28 28 THR HA H 28 3.680 3.860 -0.180 1
1 327 . 3 1 1 A 28 28 THR CA C 28 67.100 66.490 0.610 1
1 328 . 3 1 1 A 28 28 THR CB C 28 67.700 68.115 -0.415 1
1 330 . 3 1 1 A 28 28 THR N N 28 114.500 116.479 -1.979 1
1 331 . 3 1 1 A 29 29 TYR H H 29 8.220 7.834 0.386 1
1 332 . 3 1 1 A 29 29 TYR HA H 29 4.380 4.277 0.103 1
1 339 . 3 1 1 A 29 29 TYR CA C 29 61.400 60.428 0.972 1
1 340 . 3 1 1 A 29 29 TYR CB C 29 37.100 37.088 0.012 1
1 343 . 3 1 1 A 29 29 TYR N N 29 120.400 120.720 -0.320 1
1 344 . 3 1 1 A 30 30 ALA H H 30 8.500 8.058 0.442 1
1 345 . 3 1 1 A 30 30 ALA HA H 30 3.770 3.616 0.154 1
1 349 . 3 1 1 A 30 30 ALA CA C 30 56.000 55.022 0.978 1
1 350 . 3 1 1 A 30 30 ALA CB C 30 18.200 18.419 -0.219 1
1 351 . 3 1 1 A 30 30 ALA N N 30 123.300 123.186 0.114 1
1 352 . 3 1 1 A 31 31 GLU H H 31 8.940 8.043 0.897 1
1 353 . 3 1 1 A 31 31 GLU HA H 31 4.180 4.240 -0.060 1
1 358 . 3 1 1 A 31 31 GLU CA C 31 58.600 58.475 0.125 1
1 359 . 3 1 1 A 31 31 GLU CB C 31 28.700 29.369 -0.669 1
1 361 . 3 1 1 A 31 31 GLU N N 31 120.700 119.143 1.557 1
1 362 . 3 1 1 A 32 32 HIS H H 32 7.340 7.435 -0.095 1
1 363 . 3 1 1 A 32 32 HIS HA H 32 4.740 4.558 0.182 1
1 368 . 3 1 1 A 32 32 HIS CA C 32 54.800 55.605 -0.805 1
1 369 . 3 1 1 A 32 32 HIS CB C 32 28.200 30.030 -1.830 1
1 372 . 3 1 1 A 32 32 HIS N N 32 115.300 115.762 -0.462 1
1 373 . 3 1 1 A 33 33 GLU H H 33 7.830 7.728 0.102 1
1 374 . 3 1 1 A 33 33 GLU HA H 33 2.500 3.246 -0.746 1
1 379 . 3 1 1 A 33 33 GLU CA C 33 56.800 57.364 -0.564 1
1 380 . 3 1 1 A 33 33 GLU CB C 33 25.000 29.006 -4.006 1
1 382 . 3 1 1 A 33 33 GLU N N 33 112.200 118.201 -6.001 1
1 383 . 3 1 1 A 34 34 GLN H H 34 8.030 7.976 0.054 1
1 384 . 3 1 1 A 34 34 GLN HA H 34 4.460 4.501 -0.041 1
1 391 . 3 1 1 A 34 34 GLN CA C 34 53.200 54.167 -0.967 1
1 392 . 3 1 1 A 34 34 GLN CB C 34 26.500 28.938 -2.438 1
1 394 . 3 1 1 A 34 34 GLN N N 34 121.000 118.581 2.419 1
1 396 . 3 1 1 A 35 35 PHE H H 35 7.050 7.788 -0.738 1
1 397 . 3 1 1 A 35 35 PHE HA H 35 4.180 4.232 -0.052 1
1 405 . 3 1 1 A 35 35 PHE CA C 35 60.700 60.785 -0.085 1
1 406 . 3 1 1 A 35 35 PHE CB C 35 38.200 38.690 -0.490 1
1 410 . 3 1 1 A 35 35 PHE N N 35 118.600 122.672 -4.072 1
1 411 . 3 1 1 A 36 36 ASP H H 36 8.410 8.386 0.024 1
1 412 . 3 1 1 A 36 36 ASP HA H 36 4.200 4.363 -0.163 1
1 415 . 3 1 1 A 36 36 ASP CA C 36 56.700 57.778 -1.078 1
1 416 . 3 1 1 A 36 36 ASP CB C 36 38.800 42.000 -3.200 1
1 417 . 3 1 1 A 36 36 ASP N N 36 117.000 120.207 -3.207 1
1 418 . 3 1 1 A 37 37 ALA H H 37 7.540 7.820 -0.280 1
1 419 . 3 1 1 A 37 37 ALA HA H 37 3.860 4.054 -0.194 1
1 423 . 3 1 1 A 37 37 ALA CA C 37 52.900 54.653 -1.753 1
1 424 . 3 1 1 A 37 37 ALA CB C 37 16.300 17.832 -1.532 1
1 425 . 3 1 1 A 37 37 ALA N N 37 120.900 120.870 0.030 1
1 426 . 3 1 1 A 38 38 ALA H H 38 7.700 7.663 0.037 1
1 427 . 3 1 1 A 38 38 ALA HA H 38 4.210 4.280 -0.070 1
1 431 . 3 1 1 A 38 38 ALA CA C 38 55.100 55.158 -0.058 1
1 432 . 3 1 1 A 38 38 ALA CB C 38 20.500 18.326 2.174 1
1 433 . 3 1 1 A 38 38 ALA N N 38 117.600 120.295 -2.695 1
1 434 . 3 1 1 A 39 39 LEU H H 39 7.430 8.241 -0.811 1
1 435 . 3 1 1 A 39 39 LEU HA H 39 4.050 3.975 0.075 1
1 445 . 3 1 1 A 39 39 LEU CA C 39 60.500 60.057 0.443 1
1 446 . 3 1 1 A 39 39 LEU CB C 39 39.200 40.191 -0.991 1
1 450 . 3 1 1 A 39 39 LEU N N 39 114.900 118.381 -3.481 1
1 451 . 3 1 1 A 40 40 PRO HA H 40 4.180 4.263 -0.083 1
1 458 . 3 1 1 A 40 40 PRO CA C 40 65.100 65.995 -0.895 1
1 459 . 3 1 1 A 40 40 PRO CB C 40 30.600 30.699 -0.099 1
1 462 . 3 1 1 A 41 41 HIS H H 41 6.570 7.499 -0.929 1
1 463 . 3 1 1 A 41 41 HIS HA H 41 4.740 4.235 0.505 1
1 468 . 3 1 1 A 41 41 HIS CA C 41 58.800 59.523 -0.723 1
1 469 . 3 1 1 A 41 41 HIS CB C 41 30.800 30.195 0.605 1
1 472 . 3 1 1 A 41 41 HIS N N 41 116.500 116.423 0.077 1
1 473 . 3 1 1 A 42 42 LEU H H 42 8.140 8.550 -0.410 1
1 474 . 3 1 1 A 42 42 LEU HA H 42 4.120 3.986 0.134 1
1 484 . 3 1 1 A 42 42 LEU CA C 42 57.800 57.996 -0.196 1
1 485 . 3 1 1 A 42 42 LEU CB C 42 42.100 41.715 0.385 1
1 489 . 3 1 1 A 42 42 LEU N N 42 119.900 121.193 -1.293 1
1 490 . 3 1 1 A 43 43 ARG H H 43 8.300 8.240 0.060 1
1 491 . 3 1 1 A 43 43 ARG HA H 43 3.740 4.034 -0.294 1
1 498 . 3 1 1 A 43 43 ARG CA C 43 59.700 59.569 0.131 1
1 499 . 3 1 1 A 43 43 ARG CB C 43 28.300 29.922 -1.622 1
1 502 . 3 1 1 A 43 43 ARG N N 43 116.400 119.523 -3.123 1
1 503 . 3 1 1 A 44 44 ALA H H 44 7.850 8.060 -0.210 1
1 504 . 3 1 1 A 44 44 ALA HA H 44 4.060 4.173 -0.113 1
1 508 . 3 1 1 A 44 44 ALA CA C 44 54.600 54.943 -0.343 1
1 509 . 3 1 1 A 44 44 ALA CB C 44 17.000 18.348 -1.348 1
1 510 . 3 1 1 A 44 44 ALA N N 44 121.000 120.272 0.728 1
1 511 . 3 1 1 A 45 45 ALA H H 45 8.440 7.669 0.771 1
1 512 . 3 1 1 A 45 45 ALA HA H 45 4.270 4.230 0.040 1
1 516 . 3 1 1 A 45 45 ALA CA C 45 56.200 55.095 1.105 1
1 517 . 3 1 1 A 45 45 ALA CB C 45 17.000 18.247 -1.247 1
1 518 . 3 1 1 A 45 45 ALA N N 45 121.200 120.790 0.410 1
1 519 . 3 1 1 A 46 46 LEU H H 46 7.310 7.981 -0.671 1
1 520 . 3 1 1 A 46 46 LEU HA H 46 4.010 4.290 -0.280 1
1 530 . 3 1 1 A 46 46 LEU CA C 46 55.900 57.957 -2.057 1
1 531 . 3 1 1 A 46 46 LEU CB C 46 42.200 41.443 0.757 1
1 535 . 3 1 1 A 46 46 LEU N N 46 116.800 119.526 -2.726 1
1 536 . 3 1 1 A 47 47 ASP H H 47 7.590 8.364 -0.774 1
1 537 . 3 1 1 A 47 47 ASP HA H 47 4.440 4.271 0.169 1
1 540 . 3 1 1 A 47 47 ASP CA C 47 55.500 57.312 -1.812 1
1 541 . 3 1 1 A 47 47 ASP CB C 47 39.200 41.280 -2.080 1
1 542 . 3 1 1 A 47 47 ASP N N 47 118.900 119.893 -0.993 1
1 543 . 3 1 1 A 48 48 PHE H H 48 7.490 7.624 -0.134 1
1 544 . 3 1 1 A 48 48 PHE HA H 48 4.450 4.347 0.103 1
1 552 . 3 1 1 A 48 48 PHE CA C 48 61.200 59.873 1.327 1
1 553 . 3 1 1 A 48 48 PHE CB C 48 39.600 40.157 -0.557 1
1 557 . 3 1 1 A 48 48 PHE N N 48 117.200 116.096 1.104 1
1 558 . 3 1 1 A 49 49 ASP H H 49 7.790 8.367 -0.577 1
1 559 . 3 1 1 A 49 49 ASP HA H 49 4.980 5.083 -0.103 1
1 562 . 3 1 1 A 49 49 ASP CA C 49 51.000 51.164 -0.164 1
1 563 . 3 1 1 A 49 49 ASP CB C 49 41.800 41.545 0.255 1
1 564 . 3 1 1 A 49 49 ASP N N 49 113.500 117.588 -4.088 1
1 565 . 3 1 1 A 50 50 PRO HA H 50 4.780 4.716 0.064 1
1 572 . 3 1 1 A 50 50 PRO CA C 50 64.000 64.241 -0.241 1
1 573 . 3 1 1 A 50 50 PRO CB C 50 32.000 31.888 0.112 1
1 576 . 3 1 1 A 51 51 THR H H 51 8.640 8.098 0.542 1
1 577 . 3 1 1 A 51 51 THR HA H 51 4.620 4.873 -0.253 1
1 582 . 3 1 1 A 51 51 THR CA C 51 60.900 61.974 -1.074 1
1 583 . 3 1 1 A 51 51 THR CB C 51 68.600 69.362 -0.762 1
1 585 . 3 1 1 A 51 51 THR N N 51 111.900 108.978 2.922 1
1 586 . 3 1 1 A 52 52 TYR H H 52 7.350 7.407 -0.057 1
1 587 . 3 1 1 A 52 52 TYR HA H 52 4.820 4.545 0.275 1
1 594 . 3 1 1 A 52 52 TYR CA C 52 56.100 55.672 0.428 1
1 595 . 3 1 1 A 52 52 TYR CB C 52 35.900 37.576 -1.676 1
1 598 . 3 1 1 A 52 52 TYR N N 52 122.600 123.832 -1.232 1
1 599 . 3 1 1 A 53 53 SER H H 53 8.480 7.537 0.943 1
1 600 . 3 1 1 A 53 53 SER HA H 53 4.170 1.832 2.338 1
1 603 . 3 1 1 A 53 53 SER CA C 53 62.900 61.636 1.264 1
1 604 . 3 1 1 A 53 53 SER CB C 53 62.900 62.453 0.447 1
1 605 . 3 1 1 A 53 53 SER N N 53 127.100 121.818 5.282 1
1 606 . 3 1 1 A 54 54 VAL H H 54 7.860 7.719 0.141 1
1 607 . 3 1 1 A 54 54 VAL HA H 54 3.850 3.763 0.087 1
1 615 . 3 1 1 A 54 54 VAL CA C 54 65.500 66.588 -1.088 1
1 616 . 3 1 1 A 54 54 VAL CB C 54 31.200 31.631 -0.431 1
1 619 . 3 1 1 A 54 54 VAL N N 54 116.800 121.659 -4.859 1
1 620 . 3 1 1 A 55 55 ALA H H 55 7.120 8.137 -1.017 1
1 621 . 3 1 1 A 55 55 ALA HA H 55 4.490 4.542 -0.052 1
1 625 . 3 1 1 A 55 55 ALA CA C 55 55.700 55.344 0.356 1
1 626 . 3 1 1 A 55 55 ALA CB C 55 16.700 18.533 -1.833 1
1 627 . 3 1 1 A 55 55 ALA N N 55 123.000 121.573 1.427 1
1 628 . 3 1 1 A 56 56 TRP H H 56 7.340 7.672 -0.332 1
1 629 . 3 1 1 A 56 56 TRP HA H 56 4.160 4.580 -0.420 1
1 638 . 3 1 1 A 56 56 TRP CA C 56 60.700 60.138 0.562 1
1 639 . 3 1 1 A 56 56 TRP CB C 56 30.100 29.037 1.063 1
1 645 . 3 1 1 A 56 56 TRP N N 56 119.300 118.324 0.976 1
1 647 . 3 1 1 A 57 57 LYS H H 57 8.330 7.837 0.493 1
1 648 . 3 1 1 A 57 57 LYS HA H 57 3.970 4.279 -0.309 1
1 657 . 3 1 1 A 57 57 LYS CA C 57 59.300 59.190 0.110 1
1 658 . 3 1 1 A 57 57 LYS CB C 57 34.400 32.044 2.356 1
1 662 . 3 1 1 A 57 57 LYS N N 57 117.700 120.256 -2.556 1
1 663 . 3 1 1 A 58 58 TRP H H 58 8.170 8.201 -0.031 1
1 664 . 3 1 1 A 58 58 TRP HA H 58 4.230 4.567 -0.337 1
1 673 . 3 1 1 A 58 58 TRP CA C 58 61.600 60.170 1.430 1
1 674 . 3 1 1 A 58 58 TRP CB C 58 29.000 29.377 -0.377 1
1 680 . 3 1 1 A 58 58 TRP N N 58 119.100 120.643 -1.543 1
1 682 . 3 1 1 A 59 59 LEU H H 59 9.500 8.511 0.989 1
1 683 . 3 1 1 A 59 59 LEU HA H 59 4.090 4.052 0.038 1
1 693 . 3 1 1 A 59 59 LEU CA C 59 58.500 58.526 -0.026 1
1 694 . 3 1 1 A 59 59 LEU CB C 59 41.300 42.109 -0.809 1
1 698 . 3 1 1 A 59 59 LEU N N 59 127.300 120.636 6.664 1
1 699 . 3 1 1 A 60 60 GLY H H 60 8.480 8.175 0.305 1
1 700 . 3 1 1 A 60 60 GLY HA2 H 60 3.050 3.149 -0.099 1
1 701 . 3 1 1 A 60 60 GLY HA3 H 60 2.250 3.509 -1.259 1
1 702 . 3 1 1 A 60 60 GLY CA C 60 47.500 46.905 0.595 1
1 703 . 3 1 1 A 60 60 GLY N N 60 105.100 105.105 -0.005 1
1 704 . 3 1 1 A 61 61 LYS H H 61 7.680 7.590 0.090 1
1 705 . 3 1 1 A 61 61 LYS HA H 61 3.890 3.891 -0.001 1
1 714 . 3 1 1 A 61 61 LYS CA C 61 59.300 59.461 -0.161 1
1 715 . 3 1 1 A 61 61 LYS CB C 61 32.000 32.130 -0.130 1
1 719 . 3 1 1 A 61 61 LYS N N 61 118.600 122.085 -3.485 1
1 720 . 3 1 1 A 62 62 THR H H 62 8.030 8.227 -0.197 1
1 721 . 3 1 1 A 62 62 THR HA H 62 3.780 4.292 -0.512 1
1 726 . 3 1 1 A 62 62 THR CA C 62 67.400 67.093 0.307 1
1 727 . 3 1 1 A 62 62 THR CB C 62 66.300 68.041 -1.741 1
1 729 . 3 1 1 A 62 62 THR N N 62 120.100 119.086 1.014 1
1 730 . 3 1 1 A 63 63 LEU H H 63 8.090 8.139 -0.049 1
1 731 . 3 1 1 A 63 63 LEU HA H 63 4.080 3.826 0.254 1
1 741 . 3 1 1 A 63 63 LEU CA C 63 57.800 57.659 0.141 1
1 742 . 3 1 1 A 63 63 LEU CB C 63 40.800 40.982 -0.182 1
1 746 . 3 1 1 A 63 63 LEU N N 63 121.400 121.060 0.340 1
1 747 . 3 1 1 A 64 64 GLN H H 64 8.300 8.079 0.221 1
1 748 . 3 1 1 A 64 64 GLN HA H 64 3.400 3.926 -0.526 1
1 755 . 3 1 1 A 64 64 GLN CA C 64 59.300 58.712 0.588 1
1 756 . 3 1 1 A 64 64 GLN CB C 64 28.100 28.395 -0.295 1
1 758 . 3 1 1 A 64 64 GLN N N 64 119.500 118.616 0.884 1
1 760 . 3 1 1 A 65 65 GLY H H 65 7.720 7.472 0.248 1
1 761 . 3 1 1 A 65 65 GLY HA2 H 65 2.300 2.012 0.288 1
1 762 . 3 1 1 A 65 65 GLY HA3 H 65 3.430 3.324 0.106 1
1 763 . 3 1 1 A 65 65 GLY CA C 65 46.000 46.345 -0.345 1
1 764 . 3 1 1 A 65 65 GLY N N 65 110.300 108.224 2.076 1
1 765 . 3 1 1 A 66 66 GLN H H 66 7.250 7.270 -0.020 1
1 766 . 3 1 1 A 66 66 GLN HA H 66 4.270 4.272 -0.002 1
1 773 . 3 1 1 A 66 66 GLN CA C 66 55.900 57.145 -1.245 1
1 774 . 3 1 1 A 66 66 GLN CB C 66 30.000 29.387 0.613 1
1 776 . 3 1 1 A 66 66 GLN N N 66 117.500 120.219 -2.719 1
1 778 . 3 1 1 A 67 67 GLY H H 67 7.800 8.053 -0.253 1
1 779 . 3 1 1 A 67 67 GLY HA2 H 67 4.230 3.949 0.281 1
1 780 . 3 1 1 A 67 67 GLY HA3 H 67 3.660 3.966 -0.306 1
1 781 . 3 1 1 A 67 67 GLY CA C 67 44.800 44.962 -0.162 1
1 782 . 3 1 1 A 67 67 GLY N N 67 107.400 107.375 0.025 1
1 783 . 3 1 1 A 68 68 ASP H H 68 8.100 7.810 0.290 1
1 784 . 3 1 1 A 68 68 ASP HA H 68 4.780 4.673 0.107 1
1 787 . 3 1 1 A 68 68 ASP CA C 68 51.100 52.568 -1.468 1
1 788 . 3 1 1 A 68 68 ASP CB C 68 38.800 39.672 -0.872 1
1 789 . 3 1 1 A 68 68 ASP N N 68 121.600 120.623 0.977 1
1 790 . 3 1 1 A 69 69 ARG H H 69 7.770 8.186 -0.416 1
1 791 . 3 1 1 A 69 69 ARG HA H 69 3.650 3.982 -0.332 1
1 798 . 3 1 1 A 69 69 ARG CA C 69 59.800 58.901 0.899 1
1 799 . 3 1 1 A 69 69 ARG CB C 69 28.700 29.878 -1.178 1
1 802 . 3 1 1 A 69 69 ARG N N 69 123.700 125.649 -1.949 1
1 803 . 3 1 1 A 70 70 ALA H H 70 8.490 8.102 0.388 1
1 804 . 3 1 1 A 70 70 ALA HA H 70 4.040 4.023 0.017 1
1 808 . 3 1 1 A 70 70 ALA CA C 70 54.700 54.793 -0.093 1
1 809 . 3 1 1 A 70 70 ALA CB C 70 17.800 19.182 -1.382 1
1 810 . 3 1 1 A 70 70 ALA N N 70 122.400 122.234 0.166 1
1 811 . 3 1 1 A 71 71 GLY H H 71 8.540 8.330 0.210 1
1 812 . 3 1 1 A 71 71 GLY HA2 H 71 3.570 3.704 -0.134 1
1 813 . 3 1 1 A 71 71 GLY HA3 H 71 3.710 3.722 -0.012 1
1 814 . 3 1 1 A 71 71 GLY CA C 71 47.100 46.707 0.393 1
1 815 . 3 1 1 A 71 71 GLY N N 71 109.100 107.130 1.970 1
1 816 . 3 1 1 A 72 72 ALA H H 72 8.060 7.893 0.167 1
1 817 . 3 1 1 A 72 72 ALA HA H 72 3.310 3.396 -0.086 1
1 821 . 3 1 1 A 72 72 ALA CA C 72 55.200 54.516 0.684 1
1 822 . 3 1 1 A 72 72 ALA CB C 72 17.200 18.164 -0.964 1
1 823 . 3 1 1 A 72 72 ALA N N 72 126.600 124.743 1.857 1
1 824 . 3 1 1 A 73 73 ARG H H 73 7.840 7.842 -0.002 1
1 825 . 3 1 1 A 73 73 ARG HA H 73 3.760 4.186 -0.426 1
1 832 . 3 1 1 A 73 73 ARG CA C 73 59.700 59.852 -0.152 1
1 833 . 3 1 1 A 73 73 ARG CB C 73 29.800 30.006 -0.206 1
1 836 . 3 1 1 A 73 73 ARG N N 73 116.300 118.358 -2.058 1
1 837 . 3 1 1 A 74 74 GLN H H 74 7.690 8.066 -0.376 1
1 838 . 3 1 1 A 74 74 GLN HA H 74 3.970 4.062 -0.092 1
1 845 . 3 1 1 A 74 74 GLN CA C 74 58.800 59.033 -0.233 1
1 846 . 3 1 1 A 74 74 GLN CB C 74 28.400 28.911 -0.511 1
1 848 . 3 1 1 A 74 74 GLN N N 74 116.500 119.042 -2.542 1
1 850 . 3 1 1 A 75 75 ALA H H 75 8.160 7.978 0.182 1
1 851 . 3 1 1 A 75 75 ALA HA H 75 4.350 4.075 0.275 1
1 855 . 3 1 1 A 75 75 ALA CA C 75 54.400 55.012 -0.612 1
1 856 . 3 1 1 A 75 75 ALA CB C 75 17.600 18.079 -0.479 1
1 857 . 3 1 1 A 75 75 ALA N N 75 121.900 121.739 0.161 1
1 858 . 3 1 1 A 76 76 TRP H H 76 8.640 8.641 -0.001 1
1 859 . 3 1 1 A 76 76 TRP HA H 76 4.640 4.578 0.062 1
1 868 . 3 1 1 A 76 76 TRP CA C 76 58.200 59.867 -1.667 1
1 869 . 3 1 1 A 76 76 TRP CB C 76 27.600 29.256 -1.656 1
1 875 . 3 1 1 A 76 76 TRP N N 76 118.400 119.265 -0.865 1
1 877 . 3 1 1 A 77 77 GLU H H 77 9.050 8.381 0.669 1
1 878 . 3 1 1 A 77 77 GLU HA H 77 4.010 3.986 0.024 1
1 883 . 3 1 1 A 77 77 GLU CA C 77 58.900 59.851 -0.951 1
1 884 . 3 1 1 A 77 77 GLU CB C 77 28.100 29.483 -1.383 1
1 886 . 3 1 1 A 77 77 GLU N N 77 121.000 120.088 0.912 1
1 887 . 3 1 1 A 78 78 SER H H 78 8.280 8.048 0.232 1
1 888 . 3 1 1 A 78 78 SER HA H 78 3.800 4.196 -0.396 1
1 891 . 3 1 1 A 78 78 SER CA C 78 62.400 62.648 -0.248 1
1 892 . 3 1 1 A 78 78 SER CB C 78 68.000 62.623 5.377 1
1 893 . 3 1 1 A 78 78 SER N N 78 120.000 117.876 2.124 1
1 894 . 3 1 1 A 79 79 GLY H H 79 8.580 8.838 -0.258 1
1 895 . 3 1 1 A 79 79 GLY HA2 H 79 3.470 3.564 -0.094 1
1 896 . 3 1 1 A 79 79 GLY HA3 H 79 3.580 3.869 -0.289 1
1 897 . 3 1 1 A 79 79 GLY CA C 79 47.000 46.991 0.009 1
1 898 . 3 1 1 A 79 79 GLY N N 79 111.000 109.619 1.381 1
1 899 . 3 1 1 A 80 80 LEU H H 80 8.640 8.477 0.163 1
1 900 . 3 1 1 A 80 80 LEU HA H 80 3.830 4.084 -0.254 1
1 910 . 3 1 1 A 80 80 LEU CA C 80 58.200 57.764 0.436 1
1 911 . 3 1 1 A 80 80 LEU CB C 80 41.800 41.554 0.246 1
1 915 . 3 1 1 A 80 80 LEU N N 80 125.600 123.174 2.426 1
1 916 . 3 1 1 A 81 81 ALA H H 81 7.400 7.961 -0.561 1
1 917 . 3 1 1 A 81 81 ALA HA H 81 4.140 3.913 0.227 1
1 921 . 3 1 1 A 81 81 ALA CA C 81 54.600 55.137 -0.537 1
1 922 . 3 1 1 A 81 81 ALA CB C 81 17.500 18.172 -0.672 1
1 923 . 3 1 1 A 81 81 ALA N N 81 120.400 120.600 -0.200 1
1 924 . 3 1 1 A 82 82 ALA H H 82 7.640 7.709 -0.069 1
1 925 . 3 1 1 A 82 82 ALA HA H 82 4.160 3.858 0.302 1
1 929 . 3 1 1 A 82 82 ALA CA C 82 54.700 54.427 0.273 1
1 930 . 3 1 1 A 82 82 ALA CB C 82 17.200 17.991 -0.791 1
1 931 . 3 1 1 A 82 82 ALA N N 82 120.900 120.120 0.780 1
1 932 . 3 1 1 A 83 83 ALA H H 83 8.910 8.149 0.761 1
1 933 . 3 1 1 A 83 83 ALA HA H 83 4.260 4.223 0.037 1
1 937 . 3 1 1 A 83 83 ALA CA C 83 54.900 55.286 -0.386 1
1 938 . 3 1 1 A 83 83 ALA CB C 83 18.600 18.206 0.394 1
1 939 . 3 1 1 A 83 83 ALA N N 83 122.000 119.104 2.896 1
1 940 . 3 1 1 A 84 84 GLN H H 84 8.770 8.495 0.275 1
1 941 . 3 1 1 A 84 84 GLN HA H 84 3.940 4.069 -0.129 1
1 948 . 3 1 1 A 84 84 GLN CA C 84 58.800 59.226 -0.426 1
1 949 . 3 1 1 A 84 84 GLN CB C 84 28.200 28.262 -0.062 1
1 951 . 3 1 1 A 84 84 GLN N N 84 118.400 118.412 -0.012 1
1 953 . 3 1 1 A 85 85 SER H H 85 7.920 8.255 -0.335 1
1 954 . 3 1 1 A 85 85 SER HA H 85 4.250 4.241 0.009 1
1 957 . 3 1 1 A 85 85 SER CA C 85 61.200 61.460 -0.260 1
1 958 . 3 1 1 A 85 85 SER CB C 85 62.700 63.032 -0.332 1
1 959 . 3 1 1 A 85 85 SER N N 85 115.200 116.279 -1.079 1
1 960 . 3 1 1 A 86 86 ARG H H 86 7.590 7.536 0.054 1
1 961 . 3 1 1 A 86 86 ARG HA H 86 4.380 4.460 -0.080 1
1 968 . 3 1 1 A 86 86 ARG CA C 86 55.800 55.900 -0.100 1
1 969 . 3 1 1 A 86 86 ARG CB C 86 31.200 31.252 -0.052 1
1 972 . 3 1 1 A 86 86 ARG N N 86 117.800 118.956 -1.156 1
1 973 . 3 1 1 A 87 87 GLY H H 87 7.790 8.169 -0.379 1
1 974 . 3 1 1 A 87 87 GLY HA2 H 87 3.870 3.987 -0.117 1
1 975 . 3 1 1 A 87 87 GLY HA3 H 87 4.080 3.989 0.091 1
1 976 . 3 1 1 A 87 87 GLY CA C 87 46.100 45.632 0.468 1
1 977 . 3 1 1 A 87 87 GLY N N 87 109.100 108.210 0.890 1
1 978 . 3 1 1 A 88 88 ASP H H 88 8.210 8.410 -0.200 1
1 979 . 3 1 1 A 88 88 ASP HA H 88 4.830 4.937 -0.107 1
1 982 . 3 1 1 A 88 88 ASP CA C 88 52.100 52.935 -0.835 1
1 983 . 3 1 1 A 88 88 ASP CB C 88 39.000 39.050 -0.050 1
1 984 . 3 1 1 A 88 88 ASP N N 88 120.200 121.169 -0.969 1
1 985 . 3 1 1 A 89 89 GLN H H 89 8.110 8.111 -0.001 1
1 986 . 3 1 1 A 89 89 GLN HA H 89 3.840 4.055 -0.215 1
1 993 . 3 1 1 A 89 89 GLN CA C 89 58.500 58.967 -0.467 1
1 994 . 3 1 1 A 89 89 GLN CB C 89 28.000 28.484 -0.484 1
1 996 . 3 1 1 A 89 89 GLN N N 89 122.400 122.466 -0.066 1
1 998 . 3 1 1 A 90 90 GLN H H 90 8.720 7.892 0.828 1
1 999 . 3 1 1 A 90 90 GLN HA H 90 4.000 4.083 -0.083 1
1 1006 . 3 1 1 A 90 90 GLN CA C 90 58.800 58.700 0.100 1
1 1007 . 3 1 1 A 90 90 GLN CB C 90 27.800 28.510 -0.710 1
1 1009 . 3 1 1 A 90 90 GLN N N 90 119.100 120.034 -0.934 1
1 1011 . 3 1 1 A 91 91 VAL H H 91 7.170 7.981 -0.811 1
1 1012 . 3 1 1 A 91 91 VAL HA H 91 3.660 3.687 -0.027 1
1 1020 . 3 1 1 A 91 91 VAL CA C 91 65.500 66.421 -0.921 1
1 1021 . 3 1 1 A 91 91 VAL CB C 91 31.300 31.676 -0.376 1
1 1024 . 3 1 1 A 91 91 VAL N N 91 119.900 119.507 0.393 1
1 1025 . 3 1 1 A 92 92 VAL H H 92 7.880 7.952 -0.072 1
1 1026 . 3 1 1 A 92 92 VAL HA H 92 3.240 3.559 -0.319 1
1 1034 . 3 1 1 A 92 92 VAL CA C 92 67.300 67.046 0.254 1
1 1035 . 3 1 1 A 92 92 VAL CB C 92 31.500 31.511 -0.011 1
1 1038 . 3 1 1 A 92 92 VAL N N 92 119.900 120.518 -0.618 1
1 1039 . 3 1 1 A 93 93 LYS H H 93 7.480 8.040 -0.560 1
1 1040 . 3 1 1 A 93 93 LYS HA H 93 3.920 3.889 0.031 1
1 1049 . 3 1 1 A 93 93 LYS CA C 93 59.300 60.047 -0.747 1
1 1050 . 3 1 1 A 93 93 LYS CB C 93 31.900 32.014 -0.114 1
1 1054 . 3 1 1 A 93 93 LYS N N 93 116.000 118.719 -2.719 1
1 1055 . 3 1 1 A 94 94 GLU H H 94 7.480 7.992 -0.512 1
1 1056 . 3 1 1 A 94 94 GLU HA H 94 3.580 4.009 -0.429 1
1 1061 . 3 1 1 A 94 94 GLU CA C 94 58.600 58.884 -0.284 1
1 1062 . 3 1 1 A 94 94 GLU CB C 94 29.500 29.445 0.055 1
1 1064 . 3 1 1 A 94 94 GLU N N 94 117.500 120.562 -3.062 1
1 1065 . 3 1 1 A 95 95 LEU H H 95 8.370 8.645 -0.275 1
1 1066 . 3 1 1 A 95 95 LEU HA H 95 3.530 4.166 -0.636 1
1 1076 . 3 1 1 A 95 95 LEU CA C 95 57.600 57.672 -0.072 1
1 1077 . 3 1 1 A 95 95 LEU CB C 95 40.900 41.181 -0.281 1
1 1081 . 3 1 1 A 95 95 LEU N N 95 117.500 120.173 -2.673 1
1 1082 . 3 1 1 A 96 96 GLN H H 96 8.330 8.436 -0.106 1
1 1083 . 3 1 1 A 96 96 GLN HA H 96 3.980 3.882 0.098 1
1 1090 . 3 1 1 A 96 96 GLN CA C 96 58.900 59.407 -0.507 1
1 1091 . 3 1 1 A 96 96 GLN CB C 96 28.100 28.003 0.097 1
1 1093 . 3 1 1 A 96 96 GLN N N 96 117.600 119.801 -2.201 1
1 1095 . 3 1 1 A 97 97 VAL H H 97 7.450 7.406 0.044 1
1 1096 . 3 1 1 A 97 97 VAL HA H 97 3.450 3.421 0.029 1
1 1104 . 3 1 1 A 97 97 VAL CA C 97 66.700 66.220 0.480 1
1 1105 . 3 1 1 A 97 97 VAL CB C 97 31.000 31.191 -0.191 1
1 1108 . 3 1 1 A 97 97 VAL N N 97 120.300 119.077 1.223 1
1 1109 . 3 1 1 A 98 98 PHE H H 98 7.460 7.093 0.367 1
1 1110 . 3 1 1 A 98 98 PHE HA H 98 3.980 3.925 0.055 1
1 1118 . 3 1 1 A 98 98 PHE CA C 98 58.700 60.304 -1.604 1
1 1119 . 3 1 1 A 98 98 PHE CB C 98 35.500 37.316 -1.816 1
1 1123 . 3 1 1 A 98 98 PHE N N 98 119.100 117.862 1.238 1
1 1124 . 3 1 1 A 99 99 LEU H H 99 8.330 8.052 0.278 1
1 1125 . 3 1 1 A 99 99 LEU HA H 99 4.090 3.915 0.175 1
1 1135 . 3 1 1 A 99 99 LEU CA C 99 57.800 57.638 0.162 1
1 1136 . 3 1 1 A 99 99 LEU CB C 99 41.800 41.398 0.402 1
1 1140 . 3 1 1 A 99 99 LEU N N 99 119.300 119.356 -0.056 1
1 1141 . 3 1 1 A 100 100 ARG H H 100 8.350 7.824 0.526 1
1 1142 . 3 1 1 A 100 100 ARG HA H 100 4.110 4.005 0.105 1
1 1149 . 3 1 1 A 100 100 ARG CA C 100 59.300 59.460 -0.160 1
1 1150 . 3 1 1 A 100 100 ARG CB C 100 29.900 30.058 -0.158 1
1 1153 . 3 1 1 A 100 100 ARG N N 100 121.900 120.131 1.769 1
1 1154 . 3 1 1 A 101 101 ARG H H 101 8.110 7.946 0.164 1
1 1155 . 3 1 1 A 101 101 ARG HA H 101 4.020 4.095 -0.075 1
1 1162 . 3 1 1 A 101 101 ARG CA C 101 57.600 58.899 -1.299 1
1 1163 . 3 1 1 A 101 101 ARG CB C 101 30.200 29.751 0.449 1
1 1166 . 3 1 1 A 101 101 ARG N N 101 120.500 119.448 1.052 1
1 1167 . 3 1 1 A 102 102 LEU H H 102 7.890 8.244 -0.354 1
1 1168 . 3 1 1 A 102 102 LEU HA H 102 4.150 4.215 -0.065 1
1 1178 . 3 1 1 A 102 102 LEU CA C 102 57.600 57.600 0.000 1
1 1179 . 3 1 1 A 102 102 LEU CB C 102 42.300 41.500 0.800 1
1 1183 . 3 1 1 A 102 102 LEU N N 102 119.900 121.482 -1.582 1
1 1184 . 3 1 1 A 103 103 ALA H H 103 7.880 8.323 -0.443 1
1 1185 . 3 1 1 A 103 103 ALA HA H 103 4.170 4.071 0.099 1
1 1189 . 3 1 1 A 103 103 ALA CA C 103 54.700 55.011 -0.311 1
1 1190 . 3 1 1 A 103 103 ALA CB C 103 17.800 18.302 -0.502 1
1 1191 . 3 1 1 A 103 103 ALA N N 103 120.000 120.897 -0.897 1
1 1192 . 3 1 1 A 104 104 ARG H H 104 8.060 7.957 0.103 1
1 1193 . 3 1 1 A 104 104 ARG HA H 104 4.130 4.102 0.028 1
1 1200 . 3 1 1 A 104 104 ARG CA C 104 58.500 59.882 -1.382 1
1 1201 . 3 1 1 A 104 104 ARG CB C 104 29.800 30.110 -0.310 1
1 1204 . 3 1 1 A 104 104 ARG N N 104 119.800 117.716 2.084 1
1 1205 . 3 1 1 A 105 105 GLU H H 105 8.050 8.330 -0.280 1
1 1206 . 3 1 1 A 105 105 GLU HA H 105 4.020 4.101 -0.081 1
1 1211 . 3 1 1 A 105 105 GLU CA C 105 58.500 59.300 -0.800 1
1 1212 . 3 1 1 A 105 105 GLU CB C 105 28.900 29.194 -0.294 1
1 1214 . 3 1 1 A 105 105 GLU N N 105 119.700 119.952 -0.252 1
1 1215 . 3 1 1 A 106 106 ASP H H 106 8.360 7.720 0.640 1
1 1216 . 3 1 1 A 106 106 ASP HA H 106 4.380 4.456 -0.076 1
1 1219 . 3 1 1 A 106 106 ASP CA C 106 56.500 57.459 -0.959 1
1 1220 . 3 1 1 A 106 106 ASP CB C 106 40.500 40.980 -0.480 1
1 1221 . 3 1 1 A 106 106 ASP N N 106 119.800 119.936 -0.136 1
1 1222 . 3 1 1 A 107 107 ALA H H 107 7.910 8.467 -0.557 1
1 1223 . 3 1 1 A 107 107 ALA HA H 107 4.150 4.236 -0.086 1
1 1227 . 3 1 1 A 107 107 ALA CA C 107 54.200 54.775 -0.575 1
1 1228 . 3 1 1 A 107 107 ALA CB C 107 18.100 18.464 -0.364 1
1 1229 . 3 1 1 A 107 107 ALA N N 107 121.900 122.176 -0.276 1
1 1230 . 3 1 1 A 108 108 LEU H H 108 7.840 8.145 -0.305 1
1 1231 . 3 1 1 A 108 108 LEU HA H 108 4.120 3.964 0.156 1
1 1241 . 3 1 1 A 108 108 LEU CA C 108 56.400 58.336 -1.936 1
1 1242 . 3 1 1 A 108 108 LEU CB C 108 42.000 41.962 0.038 1
1 1246 . 3 1 1 A 108 108 LEU N N 108 119.000 119.401 -0.401 1
1 1247 . 3 1 1 A 109 109 GLU H H 109 7.860 8.145 -0.285 1
1 1248 . 3 1 1 A 109 109 GLU HA H 109 4.090 4.409 -0.319 1
1 1253 . 3 1 1 A 109 109 GLU CA C 109 57.000 58.089 -1.089 1
1 1254 . 3 1 1 A 109 109 GLU CB C 109 29.100 30.299 -1.199 1
1 1256 . 3 1 1 A 109 109 GLU N N 109 118.600 117.147 1.453 1
1 1257 . 3 1 1 A 110 110 HIS H H 110 8.140 8.238 -0.098 1
1 1258 . 3 1 1 A 110 110 HIS HA H 110 4.560 4.658 -0.098 1
1 1261 . 3 1 1 A 110 110 HIS CA C 110 55.600 57.383 -1.783 1
1 1262 . 3 1 1 A 110 110 HIS CB C 110 28.300 31.698 -3.398 1
1 1263 . 3 1 1 A 110 110 HIS N N 110 117.000 119.625 -2.625 1
1 1264 . 3 1 1 A 111 111 HIS H H 111 8.340 7.848 0.492 1
1 1265 . 3 1 1 A 111 111 HIS HA H 111 4.600 4.326 0.274 1
1 1268 . 3 1 1 A 111 111 HIS CA C 111 55.500 55.217 0.283 1
1 1269 . 3 1 1 A 111 111 HIS CB C 111 28.500 28.127 0.373 1
1 1270 . 3 1 1 A 111 111 HIS N N 111 117.800 117.543 0.257 1
1 1271 . 3 1 1 A 112 112 HIS H H 112 8.530 7.483 1.047 1
1 1272 . 3 1 1 A 112 112 HIS HA H 112 4.620 4.022 0.598 1
1 1275 . 3 1 1 A 112 112 HIS CA C 112 55.300 59.062 -3.762 1
1 1276 . 3 1 1 A 112 112 HIS CB C 112 28.800 30.639 -1.839 1
1 1277 . 3 1 1 A 112 112 HIS N N 112 119.000 121.142 -2.142 1
1 1278 . 3 1 1 A 113 113 HIS H H 113 8.660 7.943 0.717 1
1 1279 . 3 1 1 A 113 113 HIS HA H 113 4.640 3.939 0.701 1
1 1282 . 3 1 1 A 113 113 HIS CA C 113 55.200 58.871 -3.671 1
1 1283 . 3 1 1 A 113 113 HIS CB C 113 28.900 28.042 0.858 1
1 1284 . 3 1 1 A 113 113 HIS N N 113 120.000 116.742 3.258 1
1 1285 . 3 1 1 A 114 114 HIS H H 114 8.630 8.212 0.418 1
1 1286 . 3 1 1 A 114 114 HIS HA H 114 4.610 4.594 0.016 1
1 1289 . 3 1 1 A 114 114 HIS CA C 114 55.200 54.356 0.844 1
1 1290 . 3 1 1 A 114 114 HIS CB C 114 28.900 31.997 -3.097 1
1 1291 . 3 1 1 A 114 114 HIS N N 114 120.800 115.737 5.063 1
1 9 . 4 1 1 A 2 2 GLN H H 2 8.840 8.344 0.496 1
1 10 . 4 1 1 A 2 2 GLN HA H 2 4.310 4.550 -0.240 1
1 17 . 4 1 1 A 2 2 GLN CA C 2 55.600 55.486 0.114 1
1 18 . 4 1 1 A 2 2 GLN CB C 2 29.900 29.727 0.173 1
1 20 . 4 1 1 A 2 2 GLN N N 2 124.000 120.379 3.621 1
1 22 . 4 1 1 A 3 3 ALA H H 3 8.780 8.552 0.228 1
1 23 . 4 1 1 A 3 3 ALA HA H 3 4.240 4.869 -0.629 1
1 27 . 4 1 1 A 3 3 ALA CA C 3 52.600 50.504 2.096 1
1 28 . 4 1 1 A 3 3 ALA CB C 3 18.800 21.368 -2.568 1
1 29 . 4 1 1 A 3 3 ALA N N 3 127.500 122.123 5.377 1
1 30 . 4 1 1 A 4 4 ILE H H 4 8.490 8.696 -0.206 1
1 31 . 4 1 1 A 4 4 ILE HA H 4 3.820 3.687 0.133 1
1 41 . 4 1 1 A 4 4 ILE CA C 4 63.700 64.779 -1.079 1
1 42 . 4 1 1 A 4 4 ILE CB C 4 37.800 37.201 0.599 1
1 46 . 4 1 1 A 4 4 ILE N N 4 120.900 124.794 -3.894 1
1 47 . 4 1 1 A 5 5 THR H H 5 7.730 7.983 -0.253 1
1 48 . 4 1 1 A 5 5 THR HA H 5 3.540 3.765 -0.225 1
1 53 . 4 1 1 A 5 5 THR CA C 5 64.700 65.756 -1.056 1
1 54 . 4 1 1 A 5 5 THR CB C 5 66.700 67.816 -1.116 1
1 56 . 4 1 1 A 5 5 THR N N 5 110.700 113.413 -2.713 1
1 57 . 4 1 1 A 6 6 GLU H H 6 7.220 7.958 -0.738 1
1 58 . 4 1 1 A 6 6 GLU HA H 6 3.940 3.920 0.020 1
1 63 . 4 1 1 A 6 6 GLU CA C 6 59.200 59.698 -0.498 1
1 64 . 4 1 1 A 6 6 GLU CB C 6 28.900 29.492 -0.592 1
1 66 . 4 1 1 A 6 6 GLU N N 6 120.400 122.524 -2.124 1
1 67 . 4 1 1 A 7 7 ARG H H 7 7.930 7.979 -0.049 1
1 68 . 4 1 1 A 7 7 ARG HA H 7 3.950 4.079 -0.129 1
1 75 . 4 1 1 A 7 7 ARG CA C 7 59.100 58.855 0.245 1
1 76 . 4 1 1 A 7 7 ARG CB C 7 30.100 29.648 0.452 1
1 79 . 4 1 1 A 7 7 ARG N N 7 119.900 119.023 0.877 1
1 80 . 4 1 1 A 8 8 LEU H H 8 8.130 8.074 0.056 1
1 81 . 4 1 1 A 8 8 LEU HA H 8 4.150 3.861 0.289 1
1 91 . 4 1 1 A 8 8 LEU CA C 8 57.800 57.837 -0.037 1
1 92 . 4 1 1 A 8 8 LEU CB C 8 41.000 41.340 -0.340 1
1 96 . 4 1 1 A 8 8 LEU N N 8 119.600 121.503 -1.903 1
1 97 . 4 1 1 A 9 9 GLU H H 9 8.530 8.916 -0.386 1
1 98 . 4 1 1 A 9 9 GLU HA H 9 4.150 4.052 0.098 1
1 103 . 4 1 1 A 9 9 GLU CA C 9 59.100 59.660 -0.560 1
1 104 . 4 1 1 A 9 9 GLU CB C 9 28.300 29.342 -1.042 1
1 106 . 4 1 1 A 9 9 GLU N N 9 118.200 117.601 0.599 1
1 107 . 4 1 1 A 10 10 ALA H H 10 7.800 7.869 -0.069 1
1 108 . 4 1 1 A 10 10 ALA HA H 10 4.230 4.128 0.102 1
1 112 . 4 1 1 A 10 10 ALA CA C 10 55.000 55.257 -0.257 1
1 113 . 4 1 1 A 10 10 ALA CB C 10 17.200 18.174 -0.974 1
1 114 . 4 1 1 A 10 10 ALA N N 10 122.900 122.526 0.374 1
1 115 . 4 1 1 A 11 11 MET H H 11 7.700 8.399 -0.699 1
1 116 . 4 1 1 A 11 11 MET HA H 11 4.040 4.150 -0.110 1
1 124 . 4 1 1 A 11 11 MET CA C 11 58.900 58.057 0.843 1
1 125 . 4 1 1 A 11 11 MET CB C 11 31.800 32.424 -0.624 1
1 128 . 4 1 1 A 11 11 MET N N 11 118.800 116.728 2.072 1
1 129 . 4 1 1 A 12 12 LEU H H 12 8.070 8.413 -0.343 1
1 130 . 4 1 1 A 12 12 LEU HA H 12 4.870 4.078 0.792 1
1 140 . 4 1 1 A 12 12 LEU CA C 12 56.900 57.719 -0.819 1
1 141 . 4 1 1 A 12 12 LEU CB C 12 41.900 41.790 0.110 1
1 145 . 4 1 1 A 12 12 LEU N N 12 122.500 122.071 0.429 1
1 146 . 4 1 1 A 13 13 ALA H H 13 8.150 7.977 0.173 1
1 147 . 4 1 1 A 13 13 ALA HA H 13 4.130 4.115 0.015 1
1 151 . 4 1 1 A 13 13 ALA CA C 13 54.100 54.310 -0.210 1
1 152 . 4 1 1 A 13 13 ALA CB C 13 17.700 18.169 -0.469 1
1 153 . 4 1 1 A 13 13 ALA N N 13 122.300 120.745 1.555 1
1 154 . 4 1 1 A 14 14 GLN H H 14 7.560 7.545 0.015 1
1 155 . 4 1 1 A 14 14 GLN HA H 14 4.340 4.465 -0.125 1
1 162 . 4 1 1 A 14 14 GLN CA C 14 55.500 55.726 -0.226 1
1 163 . 4 1 1 A 14 14 GLN CB C 14 28.700 29.257 -0.557 1
1 165 . 4 1 1 A 14 14 GLN N N 14 115.100 115.092 0.008 1
1 167 . 4 1 1 A 15 15 GLY H H 15 7.870 7.430 0.440 1
1 168 . 4 1 1 A 15 15 GLY HA2 H 15 3.720 4.046 -0.326 1
1 169 . 4 1 1 A 15 15 GLY HA3 H 15 4.430 4.047 0.383 1
1 170 . 4 1 1 A 15 15 GLY CA C 15 45.100 45.960 -0.860 1
1 171 . 4 1 1 A 15 15 GLY N N 15 106.800 107.075 -0.275 1
1 172 . 4 1 1 A 16 16 THR H H 16 7.980 8.110 -0.130 1
1 173 . 4 1 1 A 16 16 THR HA H 16 4.190 4.520 -0.330 1
1 178 . 4 1 1 A 16 16 THR CA C 16 62.600 61.459 1.141 1
1 179 . 4 1 1 A 16 16 THR CB C 16 68.800 69.658 -0.858 1
1 181 . 4 1 1 A 16 16 THR N N 16 120.800 112.842 7.958 1
1 182 . 4 1 1 A 17 17 ASP H H 17 8.110 8.709 -0.599 1
1 183 . 4 1 1 A 17 17 ASP HA H 17 4.830 4.288 0.542 1
1 186 . 4 1 1 A 17 17 ASP CA C 17 53.300 56.644 -3.344 1
1 187 . 4 1 1 A 17 17 ASP CB C 17 42.700 40.612 2.088 1
1 188 . 4 1 1 A 17 17 ASP N N 17 122.800 128.150 -5.350 1
1 189 . 4 1 1 A 18 18 ASN HA H 18 3.460 4.492 -1.032 1
1 194 . 4 1 1 A 18 18 ASN CA C 18 52.200 53.887 -1.687 1
1 195 . 4 1 1 A 18 18 ASN CB C 18 39.600 38.048 1.552 1
1 197 . 4 1 1 A 19 19 MET H H 19 8.260 8.779 -0.519 1
1 198 . 4 1 1 A 19 19 MET HA H 19 3.650 4.586 -0.936 1
1 206 . 4 1 1 A 19 19 MET CA C 19 61.100 56.460 4.640 1
1 207 . 4 1 1 A 19 19 MET CB C 19 32.900 34.875 -1.975 1
1 210 . 4 1 1 A 19 19 MET N N 19 119.100 122.642 -3.542 1
1 211 . 4 1 1 A 20 20 LEU H H 20 8.350 7.984 0.366 1
1 212 . 4 1 1 A 20 20 LEU HA H 20 4.220 4.143 0.077 1
1 222 . 4 1 1 A 20 20 LEU CA C 20 57.500 56.068 1.432 1
1 223 . 4 1 1 A 20 20 LEU CB C 20 41.200 41.549 -0.349 1
1 227 . 4 1 1 A 20 20 LEU N N 20 120.400 118.770 1.630 1
1 228 . 4 1 1 A 21 21 LEU H H 21 8.520 7.746 0.774 1
1 229 . 4 1 1 A 21 21 LEU HA H 21 3.910 4.436 -0.526 1
1 239 . 4 1 1 A 21 21 LEU CA C 21 59.200 56.182 3.018 1
1 240 . 4 1 1 A 21 21 LEU CB C 21 42.400 44.178 -1.778 1
1 244 . 4 1 1 A 21 21 LEU N N 21 125.500 118.362 7.138 1
1 245 . 4 1 1 A 22 22 ARG H H 22 7.830 7.938 -0.108 1
1 246 . 4 1 1 A 22 22 ARG HA H 22 4.230 4.117 0.113 1
1 253 . 4 1 1 A 22 22 ARG CA C 22 57.300 58.444 -1.144 1
1 254 . 4 1 1 A 22 22 ARG CB C 22 28.800 30.022 -1.222 1
1 257 . 4 1 1 A 22 22 ARG N N 22 117.200 119.057 -1.857 1
1 258 . 4 1 1 A 23 23 PHE H H 23 9.380 7.827 1.553 1
1 259 . 4 1 1 A 23 23 PHE HA H 23 3.950 4.394 -0.444 1
1 267 . 4 1 1 A 23 23 PHE CA C 23 61.500 60.238 1.262 1
1 268 . 4 1 1 A 23 23 PHE CB C 23 40.200 37.854 2.346 1
1 272 . 4 1 1 A 23 23 PHE N N 23 118.500 118.295 0.205 1
1 273 . 4 1 1 A 24 24 THR H H 24 8.600 7.429 1.171 1
1 274 . 4 1 1 A 24 24 THR HA H 24 4.030 3.433 0.597 1
1 279 . 4 1 1 A 24 24 THR CA C 24 68.000 66.401 1.599 1
1 280 . 4 1 1 A 24 24 THR CB C 24 67.400 67.707 -0.307 1
1 282 . 4 1 1 A 24 24 THR N N 24 115.400 115.165 0.235 1
1 283 . 4 1 1 A 25 25 LEU H H 25 8.200 8.013 0.187 1
1 284 . 4 1 1 A 25 25 LEU HA H 25 3.390 3.790 -0.400 1
1 294 . 4 1 1 A 25 25 LEU CA C 25 58.200 57.790 0.410 1
1 295 . 4 1 1 A 25 25 LEU CB C 25 42.200 41.518 0.682 1
1 299 . 4 1 1 A 25 25 LEU N N 25 124.500 121.238 3.262 1
1 300 . 4 1 1 A 26 26 GLY H H 26 8.520 8.371 0.149 1
1 301 . 4 1 1 A 26 26 GLY HA2 H 26 3.910 3.866 0.044 1
1 302 . 4 1 1 A 26 26 GLY HA3 H 26 3.570 3.994 -0.424 1
1 303 . 4 1 1 A 26 26 GLY CA C 26 48.400 47.215 1.185 1
1 304 . 4 1 1 A 26 26 GLY N N 26 104.600 106.933 -2.333 1
1 305 . 4 1 1 A 27 27 LYS H H 27 8.730 7.534 1.196 1
1 306 . 4 1 1 A 27 27 LYS HA H 27 2.970 3.462 -0.492 1
1 315 . 4 1 1 A 27 27 LYS CA C 27 59.100 59.279 -0.179 1
1 316 . 4 1 1 A 27 27 LYS CB C 27 31.400 31.875 -0.475 1
1 320 . 4 1 1 A 27 27 LYS N N 27 121.200 121.947 -0.747 1
1 321 . 4 1 1 A 28 28 THR H H 28 7.420 7.564 -0.144 1
1 322 . 4 1 1 A 28 28 THR HA H 28 3.680 3.971 -0.291 1
1 327 . 4 1 1 A 28 28 THR CA C 28 67.100 66.479 0.621 1
1 328 . 4 1 1 A 28 28 THR CB C 28 67.700 68.479 -0.779 1
1 330 . 4 1 1 A 28 28 THR N N 28 114.500 116.865 -2.365 1
1 331 . 4 1 1 A 29 29 TYR H H 29 8.220 8.164 0.056 1
1 332 . 4 1 1 A 29 29 TYR HA H 29 4.380 4.382 -0.002 1
1 339 . 4 1 1 A 29 29 TYR CA C 29 61.400 59.973 1.427 1
1 340 . 4 1 1 A 29 29 TYR CB C 29 37.100 37.381 -0.281 1
1 343 . 4 1 1 A 29 29 TYR N N 29 120.400 120.578 -0.178 1
1 344 . 4 1 1 A 30 30 ALA H H 30 8.500 8.118 0.382 1
1 345 . 4 1 1 A 30 30 ALA HA H 30 3.770 3.953 -0.183 1
1 349 . 4 1 1 A 30 30 ALA CA C 30 56.000 54.824 1.176 1
1 350 . 4 1 1 A 30 30 ALA CB C 30 18.200 18.617 -0.417 1
1 351 . 4 1 1 A 30 30 ALA N N 30 123.300 123.202 0.098 1
1 352 . 4 1 1 A 31 31 GLU H H 31 8.940 8.521 0.419 1
1 353 . 4 1 1 A 31 31 GLU HA H 31 4.180 4.229 -0.049 1
1 358 . 4 1 1 A 31 31 GLU CA C 31 58.600 58.454 0.146 1
1 359 . 4 1 1 A 31 31 GLU CB C 31 28.700 29.586 -0.886 1
1 361 . 4 1 1 A 31 31 GLU N N 31 120.700 119.431 1.269 1
1 362 . 4 1 1 A 32 32 HIS H H 32 7.340 7.580 -0.240 1
1 363 . 4 1 1 A 32 32 HIS HA H 32 4.740 4.545 0.195 1
1 368 . 4 1 1 A 32 32 HIS CA C 32 54.800 55.559 -0.759 1
1 369 . 4 1 1 A 32 32 HIS CB C 32 28.200 29.829 -1.629 1
1 372 . 4 1 1 A 32 32 HIS N N 32 115.300 115.325 -0.025 1
1 373 . 4 1 1 A 33 33 GLU H H 33 7.830 7.909 -0.079 1
1 374 . 4 1 1 A 33 33 GLU HA H 33 2.500 3.188 -0.688 1
1 379 . 4 1 1 A 33 33 GLU CA C 33 56.800 57.484 -0.684 1
1 380 . 4 1 1 A 33 33 GLU CB C 33 25.000 29.234 -4.234 1
1 382 . 4 1 1 A 33 33 GLU N N 33 112.200 118.072 -5.872 1
1 383 . 4 1 1 A 34 34 GLN H H 34 8.030 8.355 -0.325 1
1 384 . 4 1 1 A 34 34 GLN HA H 34 4.460 4.560 -0.100 1
1 391 . 4 1 1 A 34 34 GLN CA C 34 53.200 53.758 -0.558 1
1 392 . 4 1 1 A 34 34 GLN CB C 34 26.500 26.871 -0.371 1
1 394 . 4 1 1 A 34 34 GLN N N 34 121.000 118.433 2.567 1
1 396 . 4 1 1 A 35 35 PHE H H 35 7.050 7.742 -0.692 1
1 397 . 4 1 1 A 35 35 PHE HA H 35 4.180 4.117 0.063 1
1 405 . 4 1 1 A 35 35 PHE CA C 35 60.700 61.032 -0.332 1
1 406 . 4 1 1 A 35 35 PHE CB C 35 38.200 38.980 -0.780 1
1 410 . 4 1 1 A 35 35 PHE N N 35 118.600 120.748 -2.148 1
1 411 . 4 1 1 A 36 36 ASP H H 36 8.410 8.428 -0.018 1
1 412 . 4 1 1 A 36 36 ASP HA H 36 4.200 4.353 -0.153 1
1 415 . 4 1 1 A 36 36 ASP CA C 36 56.700 57.766 -1.066 1
1 416 . 4 1 1 A 36 36 ASP CB C 36 38.800 41.656 -2.856 1
1 417 . 4 1 1 A 36 36 ASP N N 36 117.000 120.066 -3.066 1
1 418 . 4 1 1 A 37 37 ALA H H 37 7.540 7.901 -0.361 1
1 419 . 4 1 1 A 37 37 ALA HA H 37 3.860 4.026 -0.166 1
1 423 . 4 1 1 A 37 37 ALA CA C 37 52.900 54.621 -1.721 1
1 424 . 4 1 1 A 37 37 ALA CB C 37 16.300 18.016 -1.716 1
1 425 . 4 1 1 A 37 37 ALA N N 37 120.900 121.165 -0.265 1
1 426 . 4 1 1 A 38 38 ALA H H 38 7.700 7.479 0.221 1
1 427 . 4 1 1 A 38 38 ALA HA H 38 4.210 3.963 0.247 1
1 431 . 4 1 1 A 38 38 ALA CA C 38 55.100 55.034 0.066 1
1 432 . 4 1 1 A 38 38 ALA CB C 38 20.500 18.486 2.014 1
1 433 . 4 1 1 A 38 38 ALA N N 38 117.600 120.175 -2.575 1
1 434 . 4 1 1 A 39 39 LEU H H 39 7.430 8.057 -0.627 1
1 435 . 4 1 1 A 39 39 LEU HA H 39 4.050 3.995 0.055 1
1 445 . 4 1 1 A 39 39 LEU CA C 39 60.500 60.020 0.480 1
1 446 . 4 1 1 A 39 39 LEU CB C 39 39.200 40.129 -0.929 1
1 450 . 4 1 1 A 39 39 LEU N N 39 114.900 118.413 -3.513 1
1 451 . 4 1 1 A 40 40 PRO HA H 40 4.180 4.396 -0.216 1
1 458 . 4 1 1 A 40 40 PRO CA C 40 65.100 65.370 -0.270 1
1 459 . 4 1 1 A 40 40 PRO CB C 40 30.600 30.982 -0.382 1
1 462 . 4 1 1 A 41 41 HIS H H 41 6.570 7.606 -1.036 1
1 463 . 4 1 1 A 41 41 HIS HA H 41 4.740 4.218 0.522 1
1 468 . 4 1 1 A 41 41 HIS CA C 41 58.800 59.486 -0.686 1
1 469 . 4 1 1 A 41 41 HIS CB C 41 30.800 30.083 0.717 1
1 472 . 4 1 1 A 41 41 HIS N N 41 116.500 117.598 -1.098 1
1 473 . 4 1 1 A 42 42 LEU H H 42 8.140 8.926 -0.786 1
1 474 . 4 1 1 A 42 42 LEU HA H 42 4.120 4.069 0.051 1
1 484 . 4 1 1 A 42 42 LEU CA C 42 57.800 58.020 -0.220 1
1 485 . 4 1 1 A 42 42 LEU CB C 42 42.100 41.656 0.444 1
1 489 . 4 1 1 A 42 42 LEU N N 42 119.900 120.333 -0.433 1
1 490 . 4 1 1 A 43 43 ARG H H 43 8.300 8.213 0.087 1
1 491 . 4 1 1 A 43 43 ARG HA H 43 3.740 4.010 -0.270 1
1 498 . 4 1 1 A 43 43 ARG CA C 43 59.700 59.611 0.089 1
1 499 . 4 1 1 A 43 43 ARG CB C 43 28.300 30.059 -1.759 1
1 502 . 4 1 1 A 43 43 ARG N N 43 116.400 119.386 -2.986 1
1 503 . 4 1 1 A 44 44 ALA H H 44 7.850 7.674 0.176 1
1 504 . 4 1 1 A 44 44 ALA HA H 44 4.060 4.069 -0.009 1
1 508 . 4 1 1 A 44 44 ALA CA C 44 54.600 55.009 -0.409 1
1 509 . 4 1 1 A 44 44 ALA CB C 44 17.000 17.994 -0.994 1
1 510 . 4 1 1 A 44 44 ALA N N 44 121.000 121.282 -0.282 1
1 511 . 4 1 1 A 45 45 ALA H H 45 8.440 7.514 0.926 1
1 512 . 4 1 1 A 45 45 ALA HA H 45 4.270 4.371 -0.101 1
1 516 . 4 1 1 A 45 45 ALA CA C 45 56.200 55.255 0.945 1
1 517 . 4 1 1 A 45 45 ALA CB C 45 17.000 18.153 -1.153 1
1 518 . 4 1 1 A 45 45 ALA N N 45 121.200 120.771 0.429 1
1 519 . 4 1 1 A 46 46 LEU H H 46 7.310 8.113 -0.803 1
1 520 . 4 1 1 A 46 46 LEU HA H 46 4.010 4.120 -0.110 1
1 530 . 4 1 1 A 46 46 LEU CA C 46 55.900 57.907 -2.007 1
1 531 . 4 1 1 A 46 46 LEU CB C 46 42.200 41.431 0.769 1
1 535 . 4 1 1 A 46 46 LEU N N 46 116.800 119.889 -3.089 1
1 536 . 4 1 1 A 47 47 ASP H H 47 7.590 8.094 -0.504 1
1 537 . 4 1 1 A 47 47 ASP HA H 47 4.440 4.269 0.171 1
1 540 . 4 1 1 A 47 47 ASP CA C 47 55.500 57.028 -1.528 1
1 541 . 4 1 1 A 47 47 ASP CB C 47 39.200 40.541 -1.341 1
1 542 . 4 1 1 A 47 47 ASP N N 47 118.900 119.668 -0.768 1
1 543 . 4 1 1 A 48 48 PHE H H 48 7.490 7.550 -0.060 1
1 544 . 4 1 1 A 48 48 PHE HA H 48 4.450 4.320 0.130 1
1 552 . 4 1 1 A 48 48 PHE CA C 48 61.200 59.785 1.415 1
1 553 . 4 1 1 A 48 48 PHE CB C 48 39.600 39.894 -0.294 1
1 557 . 4 1 1 A 48 48 PHE N N 48 117.200 116.603 0.597 1
1 558 . 4 1 1 A 49 49 ASP H H 49 7.790 8.462 -0.672 1
1 559 . 4 1 1 A 49 49 ASP HA H 49 4.980 5.047 -0.067 1
1 562 . 4 1 1 A 49 49 ASP CA C 49 51.000 51.217 -0.217 1
1 563 . 4 1 1 A 49 49 ASP CB C 49 41.800 41.460 0.340 1
1 564 . 4 1 1 A 49 49 ASP N N 49 113.500 117.719 -4.219 1
1 565 . 4 1 1 A 50 50 PRO HA H 50 4.780 4.709 0.071 1
1 572 . 4 1 1 A 50 50 PRO CA C 50 64.000 64.153 -0.153 1
1 573 . 4 1 1 A 50 50 PRO CB C 50 32.000 32.017 -0.017 1
1 576 . 4 1 1 A 51 51 THR H H 51 8.640 7.483 1.157 1
1 577 . 4 1 1 A 51 51 THR HA H 51 4.620 4.468 0.152 1
1 582 . 4 1 1 A 51 51 THR CA C 51 60.900 63.014 -2.114 1
1 583 . 4 1 1 A 51 51 THR CB C 51 68.600 68.975 -0.375 1
1 585 . 4 1 1 A 51 51 THR N N 51 111.900 110.741 1.159 1
1 586 . 4 1 1 A 52 52 TYR H H 52 7.350 7.478 -0.128 1
1 587 . 4 1 1 A 52 52 TYR HA H 52 4.820 4.451 0.369 1
1 594 . 4 1 1 A 52 52 TYR CA C 52 56.100 56.075 0.025 1
1 595 . 4 1 1 A 52 52 TYR CB C 52 35.900 37.794 -1.894 1
1 598 . 4 1 1 A 52 52 TYR N N 52 122.600 124.562 -1.962 1
1 599 . 4 1 1 A 53 53 SER H H 53 8.480 7.847 0.633 1
1 600 . 4 1 1 A 53 53 SER HA H 53 4.170 1.266 2.904 1
1 603 . 4 1 1 A 53 53 SER CA C 53 62.900 60.108 2.792 1
1 604 . 4 1 1 A 53 53 SER CB C 53 62.900 61.604 1.296 1
1 605 . 4 1 1 A 53 53 SER N N 53 127.100 122.811 4.289 1
1 606 . 4 1 1 A 54 54 VAL H H 54 7.860 7.090 0.770 1
1 607 . 4 1 1 A 54 54 VAL HA H 54 3.850 3.451 0.399 1
1 615 . 4 1 1 A 54 54 VAL CA C 54 65.500 65.973 -0.473 1
1 616 . 4 1 1 A 54 54 VAL CB C 54 31.200 31.070 0.130 1
1 619 . 4 1 1 A 54 54 VAL N N 54 116.800 121.832 -5.032 1
1 620 . 4 1 1 A 55 55 ALA H H 55 7.120 7.147 -0.027 1
1 621 . 4 1 1 A 55 55 ALA HA H 55 4.490 4.322 0.168 1
1 625 . 4 1 1 A 55 55 ALA CA C 55 55.700 55.008 0.692 1
1 626 . 4 1 1 A 55 55 ALA CB C 55 16.700 18.384 -1.684 1
1 627 . 4 1 1 A 55 55 ALA N N 55 123.000 120.776 2.224 1
1 628 . 4 1 1 A 56 56 TRP H H 56 7.340 7.590 -0.250 1
1 629 . 4 1 1 A 56 56 TRP HA H 56 4.160 4.529 -0.369 1
1 638 . 4 1 1 A 56 56 TRP CA C 56 60.700 59.810 0.890 1
1 639 . 4 1 1 A 56 56 TRP CB C 56 30.100 28.882 1.218 1
1 645 . 4 1 1 A 56 56 TRP N N 56 119.300 118.194 1.106 1
1 647 . 4 1 1 A 57 57 LYS H H 57 8.330 7.702 0.628 1
1 648 . 4 1 1 A 57 57 LYS HA H 57 3.970 4.244 -0.274 1
1 657 . 4 1 1 A 57 57 LYS CA C 57 59.300 59.331 -0.031 1
1 658 . 4 1 1 A 57 57 LYS CB C 57 34.400 31.911 2.489 1
1 662 . 4 1 1 A 57 57 LYS N N 57 117.700 120.657 -2.957 1
1 663 . 4 1 1 A 58 58 TRP H H 58 8.170 7.905 0.265 1
1 664 . 4 1 1 A 58 58 TRP HA H 58 4.230 4.601 -0.371 1
1 673 . 4 1 1 A 58 58 TRP CA C 58 61.600 60.287 1.313 1
1 674 . 4 1 1 A 58 58 TRP CB C 58 29.000 29.913 -0.913 1
1 680 . 4 1 1 A 58 58 TRP N N 58 119.100 120.580 -1.480 1
1 682 . 4 1 1 A 59 59 LEU H H 59 9.500 8.687 0.813 1
1 683 . 4 1 1 A 59 59 LEU HA H 59 4.090 4.084 0.006 1
1 693 . 4 1 1 A 59 59 LEU CA C 59 58.500 58.087 0.413 1
1 694 . 4 1 1 A 59 59 LEU CB C 59 41.300 41.928 -0.628 1
1 698 . 4 1 1 A 59 59 LEU N N 59 127.300 121.425 5.875 1
1 699 . 4 1 1 A 60 60 GLY H H 60 8.480 7.746 0.734 1
1 700 . 4 1 1 A 60 60 GLY HA2 H 60 3.050 2.623 0.427 1
1 701 . 4 1 1 A 60 60 GLY HA3 H 60 2.250 3.147 -0.897 1
1 702 . 4 1 1 A 60 60 GLY CA C 60 47.500 46.728 0.772 1
1 703 . 4 1 1 A 60 60 GLY N N 60 105.100 106.022 -0.922 1
1 704 . 4 1 1 A 61 61 LYS H H 61 7.680 8.097 -0.417 1
1 705 . 4 1 1 A 61 61 LYS HA H 61 3.890 4.019 -0.129 1
1 714 . 4 1 1 A 61 61 LYS CA C 61 59.300 59.457 -0.157 1
1 715 . 4 1 1 A 61 61 LYS CB C 61 32.000 32.414 -0.414 1
1 719 . 4 1 1 A 61 61 LYS N N 61 118.600 122.340 -3.740 1
1 720 . 4 1 1 A 62 62 THR H H 62 8.030 7.961 0.069 1
1 721 . 4 1 1 A 62 62 THR HA H 62 3.780 4.424 -0.644 1
1 726 . 4 1 1 A 62 62 THR CA C 62 67.400 65.419 1.981 1
1 727 . 4 1 1 A 62 62 THR CB C 62 66.300 68.633 -2.333 1
1 729 . 4 1 1 A 62 62 THR N N 62 120.100 114.426 5.674 1
1 730 . 4 1 1 A 63 63 LEU H H 63 8.090 7.811 0.279 1
1 731 . 4 1 1 A 63 63 LEU HA H 63 4.080 3.854 0.226 1
1 741 . 4 1 1 A 63 63 LEU CA C 63 57.800 57.811 -0.011 1
1 742 . 4 1 1 A 63 63 LEU CB C 63 40.800 40.936 -0.136 1
1 746 . 4 1 1 A 63 63 LEU N N 63 121.400 122.336 -0.936 1
1 747 . 4 1 1 A 64 64 GLN H H 64 8.300 8.084 0.216 1
1 748 . 4 1 1 A 64 64 GLN HA H 64 3.400 3.815 -0.415 1
1 755 . 4 1 1 A 64 64 GLN CA C 64 59.300 59.512 -0.212 1
1 756 . 4 1 1 A 64 64 GLN CB C 64 28.100 27.823 0.277 1
1 758 . 4 1 1 A 64 64 GLN N N 64 119.500 118.243 1.257 1
1 760 . 4 1 1 A 65 65 GLY H H 65 7.720 7.314 0.406 1
1 761 . 4 1 1 A 65 65 GLY HA2 H 65 2.300 2.765 -0.465 1
1 762 . 4 1 1 A 65 65 GLY HA3 H 65 3.430 3.482 -0.052 1
1 763 . 4 1 1 A 65 65 GLY CA C 65 46.000 46.079 -0.079 1
1 764 . 4 1 1 A 65 65 GLY N N 65 110.300 106.573 3.727 1
1 765 . 4 1 1 A 66 66 GLN H H 66 7.250 7.280 -0.030 1
1 766 . 4 1 1 A 66 66 GLN HA H 66 4.270 4.372 -0.102 1
1 773 . 4 1 1 A 66 66 GLN CA C 66 55.900 55.475 0.425 1
1 774 . 4 1 1 A 66 66 GLN CB C 66 30.000 29.316 0.684 1
1 776 . 4 1 1 A 66 66 GLN N N 66 117.500 117.771 -0.271 1
1 778 . 4 1 1 A 67 67 GLY H H 67 7.800 8.188 -0.388 1
1 779 . 4 1 1 A 67 67 GLY HA2 H 67 4.230 3.897 0.333 1
1 780 . 4 1 1 A 67 67 GLY HA3 H 67 3.660 3.911 -0.251 1
1 781 . 4 1 1 A 67 67 GLY CA C 67 44.800 45.068 -0.268 1
1 782 . 4 1 1 A 67 67 GLY N N 67 107.400 108.502 -1.102 1
1 783 . 4 1 1 A 68 68 ASP H H 68 8.100 7.912 0.188 1
1 784 . 4 1 1 A 68 68 ASP HA H 68 4.780 4.705 0.075 1
1 787 . 4 1 1 A 68 68 ASP CA C 68 51.100 52.712 -1.612 1
1 788 . 4 1 1 A 68 68 ASP CB C 68 38.800 39.702 -0.902 1
1 789 . 4 1 1 A 68 68 ASP N N 68 121.600 120.305 1.295 1
1 790 . 4 1 1 A 69 69 ARG H H 69 7.770 8.695 -0.925 1
1 791 . 4 1 1 A 69 69 ARG HA H 69 3.650 4.025 -0.375 1
1 798 . 4 1 1 A 69 69 ARG CA C 69 59.800 58.899 0.901 1
1 799 . 4 1 1 A 69 69 ARG CB C 69 28.700 29.805 -1.105 1
1 802 . 4 1 1 A 69 69 ARG N N 69 123.700 125.995 -2.295 1
1 803 . 4 1 1 A 70 70 ALA H H 70 8.490 8.090 0.400 1
1 804 . 4 1 1 A 70 70 ALA HA H 70 4.040 4.047 -0.007 1
1 808 . 4 1 1 A 70 70 ALA CA C 70 54.700 54.851 -0.151 1
1 809 . 4 1 1 A 70 70 ALA CB C 70 17.800 18.773 -0.973 1
1 810 . 4 1 1 A 70 70 ALA N N 70 122.400 122.390 0.010 1
1 811 . 4 1 1 A 71 71 GLY H H 71 8.540 8.872 -0.332 1
1 812 . 4 1 1 A 71 71 GLY HA2 H 71 3.570 3.708 -0.138 1
1 813 . 4 1 1 A 71 71 GLY HA3 H 71 3.710 3.718 -0.008 1
1 814 . 4 1 1 A 71 71 GLY CA C 71 47.100 46.752 0.348 1
1 815 . 4 1 1 A 71 71 GLY N N 71 109.100 106.857 2.243 1
1 816 . 4 1 1 A 72 72 ALA H H 72 8.060 7.792 0.268 1
1 817 . 4 1 1 A 72 72 ALA HA H 72 3.310 3.578 -0.268 1
1 821 . 4 1 1 A 72 72 ALA CA C 72 55.200 54.668 0.532 1
1 822 . 4 1 1 A 72 72 ALA CB C 72 17.200 17.658 -0.458 1
1 823 . 4 1 1 A 72 72 ALA N N 72 126.600 124.696 1.904 1
1 824 . 4 1 1 A 73 73 ARG H H 73 7.840 7.673 0.167 1
1 825 . 4 1 1 A 73 73 ARG HA H 73 3.760 4.336 -0.576 1
1 832 . 4 1 1 A 73 73 ARG CA C 73 59.700 58.959 0.741 1
1 833 . 4 1 1 A 73 73 ARG CB C 73 29.800 29.904 -0.104 1
1 836 . 4 1 1 A 73 73 ARG N N 73 116.300 116.953 -0.653 1
1 837 . 4 1 1 A 74 74 GLN H H 74 7.690 8.220 -0.530 1
1 838 . 4 1 1 A 74 74 GLN HA H 74 3.970 4.047 -0.077 1
1 845 . 4 1 1 A 74 74 GLN CA C 74 58.800 58.827 -0.027 1
1 846 . 4 1 1 A 74 74 GLN CB C 74 28.400 28.335 0.065 1
1 848 . 4 1 1 A 74 74 GLN N N 74 116.500 118.801 -2.301 1
1 850 . 4 1 1 A 75 75 ALA H H 75 8.160 7.470 0.690 1
1 851 . 4 1 1 A 75 75 ALA HA H 75 4.350 4.046 0.304 1
1 855 . 4 1 1 A 75 75 ALA CA C 75 54.400 54.864 -0.464 1
1 856 . 4 1 1 A 75 75 ALA CB C 75 17.600 18.018 -0.418 1
1 857 . 4 1 1 A 75 75 ALA N N 75 121.900 121.897 0.003 1
1 858 . 4 1 1 A 76 76 TRP H H 76 8.640 7.778 0.862 1
1 859 . 4 1 1 A 76 76 TRP HA H 76 4.640 4.486 0.154 1
1 868 . 4 1 1 A 76 76 TRP CA C 76 58.200 60.068 -1.868 1
1 869 . 4 1 1 A 76 76 TRP CB C 76 27.600 29.385 -1.785 1
1 875 . 4 1 1 A 76 76 TRP N N 76 118.400 119.208 -0.808 1
1 877 . 4 1 1 A 77 77 GLU H H 77 9.050 8.779 0.271 1
1 878 . 4 1 1 A 77 77 GLU HA H 77 4.010 3.975 0.035 1
1 883 . 4 1 1 A 77 77 GLU CA C 77 58.900 59.860 -0.960 1
1 884 . 4 1 1 A 77 77 GLU CB C 77 28.100 29.403 -1.303 1
1 886 . 4 1 1 A 77 77 GLU N N 77 121.000 120.096 0.904 1
1 887 . 4 1 1 A 78 78 SER H H 78 8.280 8.140 0.140 1
1 888 . 4 1 1 A 78 78 SER HA H 78 3.800 4.193 -0.393 1
1 891 . 4 1 1 A 78 78 SER CA C 78 62.400 62.680 -0.280 1
1 892 . 4 1 1 A 78 78 SER CB C 78 68.000 62.338 5.662 1
1 893 . 4 1 1 A 78 78 SER N N 78 120.000 117.761 2.239 1
1 894 . 4 1 1 A 79 79 GLY H H 79 8.580 8.355 0.225 1
1 895 . 4 1 1 A 79 79 GLY HA2 H 79 3.470 3.521 -0.051 1
1 896 . 4 1 1 A 79 79 GLY HA3 H 79 3.580 3.873 -0.293 1
1 897 . 4 1 1 A 79 79 GLY CA C 79 47.000 46.844 0.156 1
1 898 . 4 1 1 A 79 79 GLY N N 79 111.000 109.382 1.618 1
1 899 . 4 1 1 A 80 80 LEU H H 80 8.640 8.401 0.239 1
1 900 . 4 1 1 A 80 80 LEU HA H 80 3.830 4.134 -0.304 1
1 910 . 4 1 1 A 80 80 LEU CA C 80 58.200 57.673 0.527 1
1 911 . 4 1 1 A 80 80 LEU CB C 80 41.800 41.546 0.254 1
1 915 . 4 1 1 A 80 80 LEU N N 80 125.600 123.242 2.358 1
1 916 . 4 1 1 A 81 81 ALA H H 81 7.400 8.013 -0.613 1
1 917 . 4 1 1 A 81 81 ALA HA H 81 4.140 3.933 0.207 1
1 921 . 4 1 1 A 81 81 ALA CA C 81 54.600 55.115 -0.515 1
1 922 . 4 1 1 A 81 81 ALA CB C 81 17.500 18.178 -0.678 1
1 923 . 4 1 1 A 81 81 ALA N N 81 120.400 120.828 -0.428 1
1 924 . 4 1 1 A 82 82 ALA H H 82 7.640 7.655 -0.015 1
1 925 . 4 1 1 A 82 82 ALA HA H 82 4.160 3.818 0.342 1
1 929 . 4 1 1 A 82 82 ALA CA C 82 54.700 54.732 -0.032 1
1 930 . 4 1 1 A 82 82 ALA CB C 82 17.200 17.656 -0.456 1
1 931 . 4 1 1 A 82 82 ALA N N 82 120.900 119.886 1.014 1
1 932 . 4 1 1 A 83 83 ALA H H 83 8.910 7.838 1.072 1
1 933 . 4 1 1 A 83 83 ALA HA H 83 4.260 4.381 -0.121 1
1 937 . 4 1 1 A 83 83 ALA CA C 83 54.900 55.393 -0.493 1
1 938 . 4 1 1 A 83 83 ALA CB C 83 18.600 18.170 0.430 1
1 939 . 4 1 1 A 83 83 ALA N N 83 122.000 120.623 1.377 1
1 940 . 4 1 1 A 84 84 GLN H H 84 8.770 8.475 0.295 1
1 941 . 4 1 1 A 84 84 GLN HA H 84 3.940 4.084 -0.144 1
1 948 . 4 1 1 A 84 84 GLN CA C 84 58.800 59.343 -0.543 1
1 949 . 4 1 1 A 84 84 GLN CB C 84 28.200 28.400 -0.200 1
1 951 . 4 1 1 A 84 84 GLN N N 84 118.400 118.775 -0.375 1
1 953 . 4 1 1 A 85 85 SER H H 85 7.920 8.316 -0.396 1
1 954 . 4 1 1 A 85 85 SER HA H 85 4.250 4.138 0.112 1
1 957 . 4 1 1 A 85 85 SER CA C 85 61.200 61.503 -0.303 1
1 958 . 4 1 1 A 85 85 SER CB C 85 62.700 62.986 -0.286 1
1 959 . 4 1 1 A 85 85 SER N N 85 115.200 115.451 -0.251 1
1 960 . 4 1 1 A 86 86 ARG H H 86 7.590 7.471 0.119 1
1 961 . 4 1 1 A 86 86 ARG HA H 86 4.380 4.435 -0.055 1
1 968 . 4 1 1 A 86 86 ARG CA C 86 55.800 55.824 -0.024 1
1 969 . 4 1 1 A 86 86 ARG CB C 86 31.200 30.932 0.268 1
1 972 . 4 1 1 A 86 86 ARG N N 86 117.800 117.393 0.407 1
1 973 . 4 1 1 A 87 87 GLY H H 87 7.790 7.886 -0.096 1
1 974 . 4 1 1 A 87 87 GLY HA2 H 87 3.870 3.950 -0.080 1
1 975 . 4 1 1 A 87 87 GLY HA3 H 87 4.080 3.950 0.130 1
1 976 . 4 1 1 A 87 87 GLY CA C 87 46.100 45.950 0.150 1
1 977 . 4 1 1 A 87 87 GLY N N 87 109.100 108.930 0.170 1
1 978 . 4 1 1 A 88 88 ASP H H 88 8.210 8.465 -0.255 1
1 979 . 4 1 1 A 88 88 ASP HA H 88 4.830 4.892 -0.062 1
1 982 . 4 1 1 A 88 88 ASP CA C 88 52.100 52.670 -0.570 1
1 983 . 4 1 1 A 88 88 ASP CB C 88 39.000 39.302 -0.302 1
1 984 . 4 1 1 A 88 88 ASP N N 88 120.200 120.826 -0.626 1
1 985 . 4 1 1 A 89 89 GLN H H 89 8.110 8.127 -0.017 1
1 986 . 4 1 1 A 89 89 GLN HA H 89 3.840 4.034 -0.194 1
1 993 . 4 1 1 A 89 89 GLN CA C 89 58.500 59.178 -0.678 1
1 994 . 4 1 1 A 89 89 GLN CB C 89 28.000 28.636 -0.636 1
1 996 . 4 1 1 A 89 89 GLN N N 89 122.400 123.185 -0.785 1
1 998 . 4 1 1 A 90 90 GLN H H 90 8.720 7.842 0.878 1
1 999 . 4 1 1 A 90 90 GLN HA H 90 4.000 4.087 -0.087 1
1 1006 . 4 1 1 A 90 90 GLN CA C 90 58.800 58.669 0.131 1
1 1007 . 4 1 1 A 90 90 GLN CB C 90 27.800 28.084 -0.284 1
1 1009 . 4 1 1 A 90 90 GLN N N 90 119.100 119.962 -0.862 1
1 1011 . 4 1 1 A 91 91 VAL H H 91 7.170 7.794 -0.624 1
1 1012 . 4 1 1 A 91 91 VAL HA H 91 3.660 3.618 0.042 1
1 1020 . 4 1 1 A 91 91 VAL CA C 91 65.500 66.365 -0.865 1
1 1021 . 4 1 1 A 91 91 VAL CB C 91 31.300 31.602 -0.302 1
1 1024 . 4 1 1 A 91 91 VAL N N 91 119.900 119.844 0.056 1
1 1025 . 4 1 1 A 92 92 VAL H H 92 7.880 7.855 0.025 1
1 1026 . 4 1 1 A 92 92 VAL HA H 92 3.240 3.587 -0.347 1
1 1034 . 4 1 1 A 92 92 VAL CA C 92 67.300 66.866 0.434 1
1 1035 . 4 1 1 A 92 92 VAL CB C 92 31.500 31.310 0.190 1
1 1038 . 4 1 1 A 92 92 VAL N N 92 119.900 120.411 -0.511 1
1 1039 . 4 1 1 A 93 93 LYS H H 93 7.480 8.141 -0.661 1
1 1040 . 4 1 1 A 93 93 LYS HA H 93 3.920 3.863 0.057 1
1 1049 . 4 1 1 A 93 93 LYS CA C 93 59.300 60.410 -1.110 1
1 1050 . 4 1 1 A 93 93 LYS CB C 93 31.900 32.305 -0.405 1
1 1054 . 4 1 1 A 93 93 LYS N N 93 116.000 118.629 -2.629 1
1 1055 . 4 1 1 A 94 94 GLU H H 94 7.480 8.226 -0.746 1
1 1056 . 4 1 1 A 94 94 GLU HA H 94 3.580 3.937 -0.357 1
1 1061 . 4 1 1 A 94 94 GLU CA C 94 58.600 59.013 -0.413 1
1 1062 . 4 1 1 A 94 94 GLU CB C 94 29.500 29.354 0.146 1
1 1064 . 4 1 1 A 94 94 GLU N N 94 117.500 120.360 -2.860 1
1 1065 . 4 1 1 A 95 95 LEU H H 95 8.370 8.341 0.029 1
1 1066 . 4 1 1 A 95 95 LEU HA H 95 3.530 4.124 -0.594 1
1 1076 . 4 1 1 A 95 95 LEU CA C 95 57.600 57.842 -0.242 1
1 1077 . 4 1 1 A 95 95 LEU CB C 95 40.900 41.261 -0.361 1
1 1081 . 4 1 1 A 95 95 LEU N N 95 117.500 120.310 -2.810 1
1 1082 . 4 1 1 A 96 96 GLN H H 96 8.330 8.161 0.169 1
1 1083 . 4 1 1 A 96 96 GLN HA H 96 3.980 4.012 -0.032 1
1 1090 . 4 1 1 A 96 96 GLN CA C 96 58.900 58.457 0.443 1
1 1091 . 4 1 1 A 96 96 GLN CB C 96 28.100 28.154 -0.054 1
1 1093 . 4 1 1 A 96 96 GLN N N 96 117.600 118.207 -0.607 1
1 1095 . 4 1 1 A 97 97 VAL H H 97 7.450 7.403 0.047 1
1 1096 . 4 1 1 A 97 97 VAL HA H 97 3.450 3.463 -0.013 1
1 1104 . 4 1 1 A 97 97 VAL CA C 97 66.700 66.154 0.546 1
1 1105 . 4 1 1 A 97 97 VAL CB C 97 31.000 31.134 -0.134 1
1 1108 . 4 1 1 A 97 97 VAL N N 97 120.300 119.879 0.421 1
1 1109 . 4 1 1 A 98 98 PHE H H 98 7.460 6.973 0.487 1
1 1110 . 4 1 1 A 98 98 PHE HA H 98 3.980 3.983 -0.003 1
1 1118 . 4 1 1 A 98 98 PHE CA C 98 58.700 60.984 -2.284 1
1 1119 . 4 1 1 A 98 98 PHE CB C 98 35.500 37.694 -2.194 1
1 1123 . 4 1 1 A 98 98 PHE N N 98 119.100 117.978 1.122 1
1 1124 . 4 1 1 A 99 99 LEU H H 99 8.330 7.907 0.423 1
1 1125 . 4 1 1 A 99 99 LEU HA H 99 4.090 3.957 0.133 1
1 1135 . 4 1 1 A 99 99 LEU CA C 99 57.800 57.727 0.073 1
1 1136 . 4 1 1 A 99 99 LEU CB C 99 41.800 41.342 0.458 1
1 1140 . 4 1 1 A 99 99 LEU N N 99 119.300 119.644 -0.344 1
1 1141 . 4 1 1 A 100 100 ARG H H 100 8.350 7.969 0.381 1
1 1142 . 4 1 1 A 100 100 ARG HA H 100 4.110 4.037 0.073 1
1 1149 . 4 1 1 A 100 100 ARG CA C 100 59.300 59.547 -0.247 1
1 1150 . 4 1 1 A 100 100 ARG CB C 100 29.900 30.032 -0.132 1
1 1153 . 4 1 1 A 100 100 ARG N N 100 121.900 119.873 2.027 1
1 1154 . 4 1 1 A 101 101 ARG H H 101 8.110 7.295 0.815 1
1 1155 . 4 1 1 A 101 101 ARG HA H 101 4.020 4.062 -0.042 1
1 1162 . 4 1 1 A 101 101 ARG CA C 101 57.600 58.856 -1.256 1
1 1163 . 4 1 1 A 101 101 ARG CB C 101 30.200 30.057 0.143 1
1 1166 . 4 1 1 A 101 101 ARG N N 101 120.500 119.970 0.530 1
1 1167 . 4 1 1 A 102 102 LEU H H 102 7.890 7.962 -0.072 1
1 1168 . 4 1 1 A 102 102 LEU HA H 102 4.150 4.155 -0.005 1
1 1178 . 4 1 1 A 102 102 LEU CA C 102 57.600 57.580 0.020 1
1 1179 . 4 1 1 A 102 102 LEU CB C 102 42.300 41.401 0.899 1
1 1183 . 4 1 1 A 102 102 LEU N N 102 119.900 121.245 -1.345 1
1 1184 . 4 1 1 A 103 103 ALA H H 103 7.880 7.904 -0.024 1
1 1185 . 4 1 1 A 103 103 ALA HA H 103 4.170 4.152 0.018 1
1 1189 . 4 1 1 A 103 103 ALA CA C 103 54.700 55.013 -0.313 1
1 1190 . 4 1 1 A 103 103 ALA CB C 103 17.800 18.009 -0.209 1
1 1191 . 4 1 1 A 103 103 ALA N N 103 120.000 120.960 -0.960 1
1 1192 . 4 1 1 A 104 104 ARG H H 104 8.060 8.094 -0.034 1
1 1193 . 4 1 1 A 104 104 ARG HA H 104 4.130 4.139 -0.009 1
1 1200 . 4 1 1 A 104 104 ARG CA C 104 58.500 59.954 -1.454 1
1 1201 . 4 1 1 A 104 104 ARG CB C 104 29.800 29.827 -0.027 1
1 1204 . 4 1 1 A 104 104 ARG N N 104 119.800 117.653 2.147 1
1 1205 . 4 1 1 A 105 105 GLU H H 105 8.050 7.900 0.150 1
1 1206 . 4 1 1 A 105 105 GLU HA H 105 4.020 4.041 -0.021 1
1 1211 . 4 1 1 A 105 105 GLU CA C 105 58.500 59.339 -0.839 1
1 1212 . 4 1 1 A 105 105 GLU CB C 105 28.900 29.235 -0.335 1
1 1214 . 4 1 1 A 105 105 GLU N N 105 119.700 119.778 -0.078 1
1 1215 . 4 1 1 A 106 106 ASP H H 106 8.360 7.721 0.639 1
1 1216 . 4 1 1 A 106 106 ASP HA H 106 4.380 4.423 -0.043 1
1 1219 . 4 1 1 A 106 106 ASP CA C 106 56.500 57.675 -1.175 1
1 1220 . 4 1 1 A 106 106 ASP CB C 106 40.500 41.115 -0.615 1
1 1221 . 4 1 1 A 106 106 ASP N N 106 119.800 119.806 -0.006 1
1 1222 . 4 1 1 A 107 107 ALA H H 107 7.910 8.748 -0.838 1
1 1223 . 4 1 1 A 107 107 ALA HA H 107 4.150 4.226 -0.076 1
1 1227 . 4 1 1 A 107 107 ALA CA C 107 54.200 55.020 -0.820 1
1 1228 . 4 1 1 A 107 107 ALA CB C 107 18.100 18.478 -0.378 1
1 1229 . 4 1 1 A 107 107 ALA N N 107 121.900 121.862 0.038 1
1 1230 . 4 1 1 A 108 108 LEU H H 108 7.840 7.994 -0.154 1
1 1231 . 4 1 1 A 108 108 LEU HA H 108 4.120 3.970 0.150 1
1 1241 . 4 1 1 A 108 108 LEU CA C 108 56.400 57.631 -1.231 1
1 1242 . 4 1 1 A 108 108 LEU CB C 108 42.000 41.343 0.657 1
1 1246 . 4 1 1 A 108 108 LEU N N 108 119.000 119.736 -0.736 1
1 1247 . 4 1 1 A 109 109 GLU H H 109 7.860 8.087 -0.227 1
1 1248 . 4 1 1 A 109 109 GLU HA H 109 4.090 4.270 -0.180 1
1 1253 . 4 1 1 A 109 109 GLU CA C 109 57.000 57.644 -0.644 1
1 1254 . 4 1 1 A 109 109 GLU CB C 109 29.100 30.106 -1.006 1
1 1256 . 4 1 1 A 109 109 GLU N N 109 118.600 117.547 1.053 1
1 1257 . 4 1 1 A 110 110 HIS H H 110 8.140 8.092 0.048 1
1 1258 . 4 1 1 A 110 110 HIS HA H 110 4.560 4.879 -0.319 1
1 1261 . 4 1 1 A 110 110 HIS CA C 110 55.600 55.551 0.049 1
1 1262 . 4 1 1 A 110 110 HIS CB C 110 28.300 29.806 -1.506 1
1 1263 . 4 1 1 A 110 110 HIS N N 110 117.000 116.541 0.459 1
1 1264 . 4 1 1 A 111 111 HIS H H 111 8.340 8.021 0.319 1
1 1265 . 4 1 1 A 111 111 HIS HA H 111 4.600 4.326 0.274 1
1 1268 . 4 1 1 A 111 111 HIS CA C 111 55.500 59.169 -3.669 1
1 1269 . 4 1 1 A 111 111 HIS CB C 111 28.500 29.982 -1.482 1
1 1270 . 4 1 1 A 111 111 HIS N N 111 117.800 119.817 -2.017 1
1 1271 . 4 1 1 A 112 112 HIS H H 112 8.530 8.320 0.210 1
1 1272 . 4 1 1 A 112 112 HIS HA H 112 4.620 4.166 0.454 1
1 1275 . 4 1 1 A 112 112 HIS CA C 112 55.300 56.431 -1.131 1
1 1276 . 4 1 1 A 112 112 HIS CB C 112 28.800 27.547 1.253 1
1 1277 . 4 1 1 A 112 112 HIS N N 112 119.000 116.302 2.698 1
1 1278 . 4 1 1 A 113 113 HIS H H 113 8.660 8.095 0.565 1
1 1279 . 4 1 1 A 113 113 HIS HA H 113 4.640 4.736 -0.096 1
1 1282 . 4 1 1 A 113 113 HIS CA C 113 55.200 56.997 -1.797 1
1 1283 . 4 1 1 A 113 113 HIS CB C 113 28.900 31.189 -2.289 1
1 1284 . 4 1 1 A 113 113 HIS N N 113 120.000 118.449 1.551 1
1 1285 . 4 1 1 A 114 114 HIS H H 114 8.630 8.259 0.371 1
1 1286 . 4 1 1 A 114 114 HIS HA H 114 4.610 4.551 0.059 1
1 1289 . 4 1 1 A 114 114 HIS CA C 114 55.200 56.184 -0.984 1
1 1290 . 4 1 1 A 114 114 HIS CB C 114 28.900 28.928 -0.028 1
1 1291 . 4 1 1 A 114 114 HIS N N 114 120.800 116.959 3.841 1
1 9 . 5 1 1 A 2 2 GLN H H 2 8.840 9.143 -0.303 1
1 10 . 5 1 1 A 2 2 GLN HA H 2 4.310 4.750 -0.440 1
1 17 . 5 1 1 A 2 2 GLN CA C 2 55.600 54.762 0.838 1
1 18 . 5 1 1 A 2 2 GLN CB C 2 29.900 32.079 -2.179 1
1 20 . 5 1 1 A 2 2 GLN N N 2 124.000 122.501 1.499 1
1 22 . 5 1 1 A 3 3 ALA H H 3 8.780 8.550 0.230 1
1 23 . 5 1 1 A 3 3 ALA HA H 3 4.240 4.075 0.165 1
1 27 . 5 1 1 A 3 3 ALA CA C 3 52.600 53.861 -1.261 1
1 28 . 5 1 1 A 3 3 ALA CB C 3 18.800 18.195 0.605 1
1 29 . 5 1 1 A 3 3 ALA N N 3 127.500 124.956 2.544 1
1 30 . 5 1 1 A 4 4 ILE H H 4 8.490 8.634 -0.144 1
1 31 . 5 1 1 A 4 4 ILE HA H 4 3.820 3.766 0.054 1
1 41 . 5 1 1 A 4 4 ILE CA C 4 63.700 63.943 -0.243 1
1 42 . 5 1 1 A 4 4 ILE CB C 4 37.800 37.435 0.365 1
1 46 . 5 1 1 A 4 4 ILE N N 4 120.900 122.551 -1.651 1
1 47 . 5 1 1 A 5 5 THR H H 5 7.730 8.082 -0.352 1
1 48 . 5 1 1 A 5 5 THR HA H 5 3.540 3.852 -0.312 1
1 53 . 5 1 1 A 5 5 THR CA C 5 64.700 65.945 -1.245 1
1 54 . 5 1 1 A 5 5 THR CB C 5 66.700 68.207 -1.507 1
1 56 . 5 1 1 A 5 5 THR N N 5 110.700 113.475 -2.775 1
1 57 . 5 1 1 A 6 6 GLU H H 6 7.220 8.115 -0.895 1
1 58 . 5 1 1 A 6 6 GLU HA H 6 3.940 3.899 0.041 1
1 63 . 5 1 1 A 6 6 GLU CA C 6 59.200 59.463 -0.263 1
1 64 . 5 1 1 A 6 6 GLU CB C 6 28.900 29.888 -0.988 1
1 66 . 5 1 1 A 6 6 GLU N N 6 120.400 122.066 -1.666 1
1 67 . 5 1 1 A 7 7 ARG H H 7 7.930 8.039 -0.109 1
1 68 . 5 1 1 A 7 7 ARG HA H 7 3.950 4.060 -0.110 1
1 75 . 5 1 1 A 7 7 ARG CA C 7 59.100 58.848 0.252 1
1 76 . 5 1 1 A 7 7 ARG CB C 7 30.100 29.706 0.394 1
1 79 . 5 1 1 A 7 7 ARG N N 7 119.900 118.858 1.042 1
1 80 . 5 1 1 A 8 8 LEU H H 8 8.130 7.992 0.138 1
1 81 . 5 1 1 A 8 8 LEU HA H 8 4.150 3.924 0.226 1
1 91 . 5 1 1 A 8 8 LEU CA C 8 57.800 57.910 -0.110 1
1 92 . 5 1 1 A 8 8 LEU CB C 8 41.000 41.097 -0.097 1
1 96 . 5 1 1 A 8 8 LEU N N 8 119.600 121.090 -1.490 1
1 97 . 5 1 1 A 9 9 GLU H H 9 8.530 8.601 -0.071 1
1 98 . 5 1 1 A 9 9 GLU HA H 9 4.150 3.994 0.156 1
1 103 . 5 1 1 A 9 9 GLU CA C 9 59.100 59.092 0.008 1
1 104 . 5 1 1 A 9 9 GLU CB C 9 28.300 28.769 -0.469 1
1 106 . 5 1 1 A 9 9 GLU N N 9 118.200 117.635 0.565 1
1 107 . 5 1 1 A 10 10 ALA H H 10 7.800 8.416 -0.616 1
1 108 . 5 1 1 A 10 10 ALA HA H 10 4.230 4.049 0.181 1
1 112 . 5 1 1 A 10 10 ALA CA C 10 55.000 55.022 -0.022 1
1 113 . 5 1 1 A 10 10 ALA CB C 10 17.200 18.254 -1.054 1
1 114 . 5 1 1 A 10 10 ALA N N 10 122.900 122.878 0.022 1
1 115 . 5 1 1 A 11 11 MET H H 11 7.700 7.784 -0.084 1
1 116 . 5 1 1 A 11 11 MET HA H 11 4.040 4.188 -0.148 1
1 124 . 5 1 1 A 11 11 MET CA C 11 58.900 58.309 0.591 1
1 125 . 5 1 1 A 11 11 MET CB C 11 31.800 32.210 -0.410 1
1 128 . 5 1 1 A 11 11 MET N N 11 118.800 116.826 1.974 1
1 129 . 5 1 1 A 12 12 LEU H H 12 8.070 7.717 0.353 1
1 130 . 5 1 1 A 12 12 LEU HA H 12 4.870 3.976 0.894 1
1 140 . 5 1 1 A 12 12 LEU CA C 12 56.900 57.854 -0.954 1
1 141 . 5 1 1 A 12 12 LEU CB C 12 41.900 41.333 0.567 1
1 145 . 5 1 1 A 12 12 LEU N N 12 122.500 120.246 2.254 1
1 146 . 5 1 1 A 13 13 ALA H H 13 8.150 7.825 0.325 1
1 147 . 5 1 1 A 13 13 ALA HA H 13 4.130 4.044 0.086 1
1 151 . 5 1 1 A 13 13 ALA CA C 13 54.100 54.717 -0.617 1
1 152 . 5 1 1 A 13 13 ALA CB C 13 17.700 18.015 -0.315 1
1 153 . 5 1 1 A 13 13 ALA N N 13 122.300 122.245 0.055 1
1 154 . 5 1 1 A 14 14 GLN H H 14 7.560 7.329 0.231 1
1 155 . 5 1 1 A 14 14 GLN HA H 14 4.340 4.353 -0.013 1
1 162 . 5 1 1 A 14 14 GLN CA C 14 55.500 55.892 -0.392 1
1 163 . 5 1 1 A 14 14 GLN CB C 14 28.700 29.088 -0.388 1
1 165 . 5 1 1 A 14 14 GLN N N 14 115.100 115.812 -0.712 1
1 167 . 5 1 1 A 15 15 GLY H H 15 7.870 7.924 -0.054 1
1 168 . 5 1 1 A 15 15 GLY HA2 H 15 3.720 3.975 -0.255 1
1 169 . 5 1 1 A 15 15 GLY HA3 H 15 4.430 3.976 0.454 1
1 170 . 5 1 1 A 15 15 GLY CA C 15 45.100 45.191 -0.091 1
1 171 . 5 1 1 A 15 15 GLY N N 15 106.800 107.178 -0.378 1
1 172 . 5 1 1 A 16 16 THR H H 16 7.980 7.414 0.566 1
1 173 . 5 1 1 A 16 16 THR HA H 16 4.190 4.402 -0.212 1
1 178 . 5 1 1 A 16 16 THR CA C 16 62.600 60.471 2.129 1
1 179 . 5 1 1 A 16 16 THR CB C 16 68.800 67.137 1.663 1
1 181 . 5 1 1 A 16 16 THR N N 16 120.800 116.402 4.398 1
1 182 . 5 1 1 A 17 17 ASP H H 17 8.110 9.081 -0.971 1
1 183 . 5 1 1 A 17 17 ASP HA H 17 4.830 4.853 -0.023 1
1 186 . 5 1 1 A 17 17 ASP CA C 17 53.300 53.581 -0.281 1
1 187 . 5 1 1 A 17 17 ASP CB C 17 42.700 41.504 1.196 1
1 188 . 5 1 1 A 17 17 ASP N N 17 122.800 128.272 -5.472 1
1 189 . 5 1 1 A 18 18 ASN HA H 18 3.460 5.112 -1.652 1
1 194 . 5 1 1 A 18 18 ASN CA C 18 52.200 50.822 1.378 1
1 195 . 5 1 1 A 18 18 ASN CB C 18 39.600 40.864 -1.264 1
1 197 . 5 1 1 A 19 19 MET H H 19 8.260 8.509 -0.249 1
1 198 . 5 1 1 A 19 19 MET HA H 19 3.650 3.862 -0.212 1
1 206 . 5 1 1 A 19 19 MET CA C 19 61.100 56.849 4.251 1
1 207 . 5 1 1 A 19 19 MET CB C 19 32.900 32.782 0.118 1
1 210 . 5 1 1 A 19 19 MET N N 19 119.100 117.223 1.877 1
1 211 . 5 1 1 A 20 20 LEU H H 20 8.350 7.453 0.897 1
1 212 . 5 1 1 A 20 20 LEU HA H 20 4.220 4.024 0.196 1
1 222 . 5 1 1 A 20 20 LEU CA C 20 57.500 56.540 0.960 1
1 223 . 5 1 1 A 20 20 LEU CB C 20 41.200 41.763 -0.563 1
1 227 . 5 1 1 A 20 20 LEU N N 20 120.400 118.414 1.986 1
1 228 . 5 1 1 A 21 21 LEU H H 21 8.520 7.560 0.960 1
1 229 . 5 1 1 A 21 21 LEU HA H 21 3.910 3.765 0.145 1
1 239 . 5 1 1 A 21 21 LEU CA C 21 59.200 56.713 2.487 1
1 240 . 5 1 1 A 21 21 LEU CB C 21 42.400 41.098 1.302 1
1 244 . 5 1 1 A 21 21 LEU N N 21 125.500 115.317 10.183 1
1 245 . 5 1 1 A 22 22 ARG H H 22 7.830 7.585 0.245 1
1 246 . 5 1 1 A 22 22 ARG HA H 22 4.230 3.841 0.389 1
1 253 . 5 1 1 A 22 22 ARG CA C 22 57.300 59.074 -1.774 1
1 254 . 5 1 1 A 22 22 ARG CB C 22 28.800 29.943 -1.143 1
1 257 . 5 1 1 A 22 22 ARG N N 22 117.200 118.074 -0.874 1
1 258 . 5 1 1 A 23 23 PHE H H 23 9.380 7.630 1.750 1
1 259 . 5 1 1 A 23 23 PHE HA H 23 3.950 4.300 -0.350 1
1 267 . 5 1 1 A 23 23 PHE CA C 23 61.500 59.815 1.685 1
1 268 . 5 1 1 A 23 23 PHE CB C 23 40.200 37.764 2.436 1
1 272 . 5 1 1 A 23 23 PHE N N 23 118.500 117.152 1.348 1
1 273 . 5 1 1 A 24 24 THR H H 24 8.600 7.559 1.041 1
1 274 . 5 1 1 A 24 24 THR HA H 24 4.030 4.030 0.000 1
1 279 . 5 1 1 A 24 24 THR CA C 24 68.000 67.048 0.952 1
1 280 . 5 1 1 A 24 24 THR CB C 24 67.400 67.638 -0.238 1
1 282 . 5 1 1 A 24 24 THR N N 24 115.400 115.919 -0.519 1
1 283 . 5 1 1 A 25 25 LEU H H 25 8.200 7.588 0.612 1
1 284 . 5 1 1 A 25 25 LEU HA H 25 3.390 3.764 -0.374 1
1 294 . 5 1 1 A 25 25 LEU CA C 25 58.200 58.048 0.152 1
1 295 . 5 1 1 A 25 25 LEU CB C 25 42.200 41.756 0.444 1
1 299 . 5 1 1 A 25 25 LEU N N 25 124.500 120.793 3.707 1
1 300 . 5 1 1 A 26 26 GLY H H 26 8.520 7.791 0.729 1
1 301 . 5 1 1 A 26 26 GLY HA2 H 26 3.910 3.684 0.226 1
1 302 . 5 1 1 A 26 26 GLY HA3 H 26 3.570 3.904 -0.334 1
1 303 . 5 1 1 A 26 26 GLY CA C 26 48.400 47.117 1.283 1
1 304 . 5 1 1 A 26 26 GLY N N 26 104.600 105.680 -1.080 1
1 305 . 5 1 1 A 27 27 LYS H H 27 8.730 7.465 1.265 1
1 306 . 5 1 1 A 27 27 LYS HA H 27 2.970 3.393 -0.423 1
1 315 . 5 1 1 A 27 27 LYS CA C 27 59.100 59.093 0.007 1
1 316 . 5 1 1 A 27 27 LYS CB C 27 31.400 31.872 -0.472 1
1 320 . 5 1 1 A 27 27 LYS N N 27 121.200 121.883 -0.683 1
1 321 . 5 1 1 A 28 28 THR H H 28 7.420 7.344 0.076 1
1 322 . 5 1 1 A 28 28 THR HA H 28 3.680 3.801 -0.121 1
1 327 . 5 1 1 A 28 28 THR CA C 28 67.100 66.431 0.669 1
1 328 . 5 1 1 A 28 28 THR CB C 28 67.700 68.295 -0.595 1
1 330 . 5 1 1 A 28 28 THR N N 28 114.500 118.417 -3.917 1
1 331 . 5 1 1 A 29 29 TYR H H 29 8.220 7.416 0.804 1
1 332 . 5 1 1 A 29 29 TYR HA H 29 4.380 4.225 0.155 1
1 339 . 5 1 1 A 29 29 TYR CA C 29 61.400 60.937 0.463 1
1 340 . 5 1 1 A 29 29 TYR CB C 29 37.100 37.281 -0.181 1
1 343 . 5 1 1 A 29 29 TYR N N 29 120.400 120.822 -0.422 1
1 344 . 5 1 1 A 30 30 ALA H H 30 8.500 8.402 0.098 1
1 345 . 5 1 1 A 30 30 ALA HA H 30 3.770 3.551 0.219 1
1 349 . 5 1 1 A 30 30 ALA CA C 30 56.000 55.056 0.944 1
1 350 . 5 1 1 A 30 30 ALA CB C 30 18.200 18.410 -0.210 1
1 351 . 5 1 1 A 30 30 ALA N N 30 123.300 123.076 0.224 1
1 352 . 5 1 1 A 31 31 GLU H H 31 8.940 8.266 0.674 1
1 353 . 5 1 1 A 31 31 GLU HA H 31 4.180 4.170 0.010 1
1 358 . 5 1 1 A 31 31 GLU CA C 31 58.600 58.646 -0.046 1
1 359 . 5 1 1 A 31 31 GLU CB C 31 28.700 29.620 -0.920 1
1 361 . 5 1 1 A 31 31 GLU N N 31 120.700 119.258 1.442 1
1 362 . 5 1 1 A 32 32 HIS H H 32 7.340 7.199 0.141 1
1 363 . 5 1 1 A 32 32 HIS HA H 32 4.740 4.542 0.198 1
1 368 . 5 1 1 A 32 32 HIS CA C 32 54.800 56.306 -1.506 1
1 369 . 5 1 1 A 32 32 HIS CB C 32 28.200 30.136 -1.936 1
1 372 . 5 1 1 A 32 32 HIS N N 32 115.300 115.532 -0.232 1
1 373 . 5 1 1 A 33 33 GLU H H 33 7.830 7.714 0.116 1
1 374 . 5 1 1 A 33 33 GLU HA H 33 2.500 3.261 -0.761 1
1 379 . 5 1 1 A 33 33 GLU CA C 33 56.800 57.107 -0.307 1
1 380 . 5 1 1 A 33 33 GLU CB C 33 25.000 26.789 -1.789 1
1 382 . 5 1 1 A 33 33 GLU N N 33 112.200 116.189 -3.989 1
1 383 . 5 1 1 A 34 34 GLN H H 34 8.030 8.620 -0.590 1
1 384 . 5 1 1 A 34 34 GLN HA H 34 4.460 4.688 -0.228 1
1 391 . 5 1 1 A 34 34 GLN CA C 34 53.200 54.755 -1.555 1
1 392 . 5 1 1 A 34 34 GLN CB C 34 26.500 28.971 -2.471 1
1 394 . 5 1 1 A 34 34 GLN N N 34 121.000 117.665 3.335 1
1 396 . 5 1 1 A 35 35 PHE H H 35 7.050 7.702 -0.652 1
1 397 . 5 1 1 A 35 35 PHE HA H 35 4.180 4.311 -0.131 1
1 405 . 5 1 1 A 35 35 PHE CA C 35 60.700 60.817 -0.117 1
1 406 . 5 1 1 A 35 35 PHE CB C 35 38.200 38.379 -0.179 1
1 410 . 5 1 1 A 35 35 PHE N N 35 118.600 120.175 -1.575 1
1 411 . 5 1 1 A 36 36 ASP H H 36 8.410 8.434 -0.024 1
1 412 . 5 1 1 A 36 36 ASP HA H 36 4.200 4.323 -0.123 1
1 415 . 5 1 1 A 36 36 ASP CA C 36 56.700 57.769 -1.069 1
1 416 . 5 1 1 A 36 36 ASP CB C 36 38.800 42.112 -3.312 1
1 417 . 5 1 1 A 36 36 ASP N N 36 117.000 119.303 -2.303 1
1 418 . 5 1 1 A 37 37 ALA H H 37 7.540 7.597 -0.057 1
1 419 . 5 1 1 A 37 37 ALA HA H 37 3.860 4.021 -0.161 1
1 423 . 5 1 1 A 37 37 ALA CA C 37 52.900 54.591 -1.691 1
1 424 . 5 1 1 A 37 37 ALA CB C 37 16.300 17.936 -1.636 1
1 425 . 5 1 1 A 37 37 ALA N N 37 120.900 120.811 0.089 1
1 426 . 5 1 1 A 38 38 ALA H H 38 7.700 7.702 -0.002 1
1 427 . 5 1 1 A 38 38 ALA HA H 38 4.210 3.775 0.435 1
1 431 . 5 1 1 A 38 38 ALA CA C 38 55.100 54.947 0.153 1
1 432 . 5 1 1 A 38 38 ALA CB C 38 20.500 18.313 2.187 1
1 433 . 5 1 1 A 38 38 ALA N N 38 117.600 120.074 -2.474 1
1 434 . 5 1 1 A 39 39 LEU H H 39 7.430 8.005 -0.575 1
1 435 . 5 1 1 A 39 39 LEU HA H 39 4.050 3.915 0.135 1
1 445 . 5 1 1 A 39 39 LEU CA C 39 60.500 60.025 0.475 1
1 446 . 5 1 1 A 39 39 LEU CB C 39 39.200 40.081 -0.881 1
1 450 . 5 1 1 A 39 39 LEU N N 39 114.900 118.251 -3.351 1
1 451 . 5 1 1 A 40 40 PRO HA H 40 4.180 4.361 -0.181 1
1 458 . 5 1 1 A 40 40 PRO CA C 40 65.100 65.537 -0.437 1
1 459 . 5 1 1 A 40 40 PRO CB C 40 30.600 30.867 -0.267 1
1 462 . 5 1 1 A 41 41 HIS H H 41 6.570 7.656 -1.086 1
1 463 . 5 1 1 A 41 41 HIS HA H 41 4.740 4.175 0.565 1
1 468 . 5 1 1 A 41 41 HIS CA C 41 58.800 59.466 -0.666 1
1 469 . 5 1 1 A 41 41 HIS CB C 41 30.800 30.077 0.723 1
1 472 . 5 1 1 A 41 41 HIS N N 41 116.500 116.143 0.357 1
1 473 . 5 1 1 A 42 42 LEU H H 42 8.140 8.680 -0.540 1
1 474 . 5 1 1 A 42 42 LEU HA H 42 4.120 3.871 0.249 1
1 484 . 5 1 1 A 42 42 LEU CA C 42 57.800 57.851 -0.051 1
1 485 . 5 1 1 A 42 42 LEU CB C 42 42.100 41.231 0.869 1
1 489 . 5 1 1 A 42 42 LEU N N 42 119.900 119.294 0.606 1
1 490 . 5 1 1 A 43 43 ARG H H 43 8.300 8.180 0.120 1
1 491 . 5 1 1 A 43 43 ARG HA H 43 3.740 3.907 -0.167 1
1 498 . 5 1 1 A 43 43 ARG CA C 43 59.700 59.543 0.157 1
1 499 . 5 1 1 A 43 43 ARG CB C 43 28.300 30.147 -1.847 1
1 502 . 5 1 1 A 43 43 ARG N N 43 116.400 121.259 -4.859 1
1 503 . 5 1 1 A 44 44 ALA H H 44 7.850 7.812 0.038 1
1 504 . 5 1 1 A 44 44 ALA HA H 44 4.060 4.141 -0.081 1
1 508 . 5 1 1 A 44 44 ALA CA C 44 54.600 55.059 -0.459 1
1 509 . 5 1 1 A 44 44 ALA CB C 44 17.000 18.182 -1.182 1
1 510 . 5 1 1 A 44 44 ALA N N 44 121.000 121.269 -0.269 1
1 511 . 5 1 1 A 45 45 ALA H H 45 8.440 7.483 0.957 1
1 512 . 5 1 1 A 45 45 ALA HA H 45 4.270 4.243 0.027 1
1 516 . 5 1 1 A 45 45 ALA CA C 45 56.200 55.141 1.059 1
1 517 . 5 1 1 A 45 45 ALA CB C 45 17.000 18.322 -1.322 1
1 518 . 5 1 1 A 45 45 ALA N N 45 121.200 120.865 0.335 1
1 519 . 5 1 1 A 46 46 LEU H H 46 7.310 8.288 -0.978 1
1 520 . 5 1 1 A 46 46 LEU HA H 46 4.010 4.087 -0.077 1
1 530 . 5 1 1 A 46 46 LEU CA C 46 55.900 57.779 -1.879 1
1 531 . 5 1 1 A 46 46 LEU CB C 46 42.200 41.115 1.085 1
1 535 . 5 1 1 A 46 46 LEU N N 46 116.800 119.582 -2.782 1
1 536 . 5 1 1 A 47 47 ASP H H 47 7.590 8.133 -0.543 1
1 537 . 5 1 1 A 47 47 ASP HA H 47 4.440 4.353 0.087 1
1 540 . 5 1 1 A 47 47 ASP CA C 47 55.500 56.917 -1.417 1
1 541 . 5 1 1 A 47 47 ASP CB C 47 39.200 40.633 -1.433 1
1 542 . 5 1 1 A 47 47 ASP N N 47 118.900 119.786 -0.886 1
1 543 . 5 1 1 A 48 48 PHE H H 48 7.490 7.736 -0.246 1
1 544 . 5 1 1 A 48 48 PHE HA H 48 4.450 4.362 0.088 1
1 552 . 5 1 1 A 48 48 PHE CA C 48 61.200 59.510 1.690 1
1 553 . 5 1 1 A 48 48 PHE CB C 48 39.600 40.013 -0.413 1
1 557 . 5 1 1 A 48 48 PHE N N 48 117.200 116.158 1.042 1
1 558 . 5 1 1 A 49 49 ASP H H 49 7.790 7.866 -0.076 1
1 559 . 5 1 1 A 49 49 ASP HA H 49 4.980 5.111 -0.131 1
1 562 . 5 1 1 A 49 49 ASP CA C 49 51.000 50.386 0.614 1
1 563 . 5 1 1 A 49 49 ASP CB C 49 41.800 43.477 -1.677 1
1 564 . 5 1 1 A 49 49 ASP N N 49 113.500 117.813 -4.313 1
1 565 . 5 1 1 A 50 50 PRO HA H 50 4.780 4.706 0.074 1
1 572 . 5 1 1 A 50 50 PRO CA C 50 64.000 64.161 -0.161 1
1 573 . 5 1 1 A 50 50 PRO CB C 50 32.000 32.178 -0.178 1
1 576 . 5 1 1 A 51 51 THR H H 51 8.640 7.970 0.670 1
1 577 . 5 1 1 A 51 51 THR HA H 51 4.620 4.921 -0.301 1
1 582 . 5 1 1 A 51 51 THR CA C 51 60.900 61.600 -0.700 1
1 583 . 5 1 1 A 51 51 THR CB C 51 68.600 69.257 -0.657 1
1 585 . 5 1 1 A 51 51 THR N N 51 111.900 110.665 1.235 1
1 586 . 5 1 1 A 52 52 TYR H H 52 7.350 9.433 -2.083 1
1 587 . 5 1 1 A 52 52 TYR HA H 52 4.820 5.124 -0.304 1
1 594 . 5 1 1 A 52 52 TYR CA C 52 56.100 57.127 -1.027 1
1 595 . 5 1 1 A 52 52 TYR CB C 52 35.900 39.803 -3.903 1
1 598 . 5 1 1 A 52 52 TYR N N 52 122.600 130.329 -7.729 1
1 599 . 5 1 1 A 53 53 SER H H 53 8.480 8.826 -0.346 1
1 600 . 5 1 1 A 53 53 SER HA H 53 4.170 4.171 -0.001 1
1 603 . 5 1 1 A 53 53 SER CA C 53 62.900 61.761 1.139 1
1 604 . 5 1 1 A 53 53 SER CB C 53 62.900 62.191 0.709 1
1 605 . 5 1 1 A 53 53 SER N N 53 127.100 124.274 2.826 1
1 606 . 5 1 1 A 54 54 VAL H H 54 7.860 7.541 0.319 1
1 607 . 5 1 1 A 54 54 VAL HA H 54 3.850 3.674 0.176 1
1 615 . 5 1 1 A 54 54 VAL CA C 54 65.500 66.671 -1.171 1
1 616 . 5 1 1 A 54 54 VAL CB C 54 31.200 31.494 -0.294 1
1 619 . 5 1 1 A 54 54 VAL N N 54 116.800 121.364 -4.564 1
1 620 . 5 1 1 A 55 55 ALA H H 55 7.120 8.580 -1.460 1
1 621 . 5 1 1 A 55 55 ALA HA H 55 4.490 4.261 0.229 1
1 625 . 5 1 1 A 55 55 ALA CA C 55 55.700 55.400 0.300 1
1 626 . 5 1 1 A 55 55 ALA CB C 55 16.700 18.394 -1.694 1
1 627 . 5 1 1 A 55 55 ALA N N 55 123.000 122.077 0.923 1
1 628 . 5 1 1 A 56 56 TRP H H 56 7.340 8.491 -1.151 1
1 629 . 5 1 1 A 56 56 TRP HA H 56 4.160 4.552 -0.392 1
1 638 . 5 1 1 A 56 56 TRP CA C 56 60.700 60.297 0.403 1
1 639 . 5 1 1 A 56 56 TRP CB C 56 30.100 29.507 0.593 1
1 645 . 5 1 1 A 56 56 TRP N N 56 119.300 118.664 0.636 1
1 647 . 5 1 1 A 57 57 LYS H H 57 8.330 8.401 -0.071 1
1 648 . 5 1 1 A 57 57 LYS HA H 57 3.970 4.270 -0.300 1
1 657 . 5 1 1 A 57 57 LYS CA C 57 59.300 59.535 -0.235 1
1 658 . 5 1 1 A 57 57 LYS CB C 57 34.400 32.251 2.149 1
1 662 . 5 1 1 A 57 57 LYS N N 57 117.700 121.328 -3.628 1
1 663 . 5 1 1 A 58 58 TRP H H 58 8.170 8.192 -0.022 1
1 664 . 5 1 1 A 58 58 TRP HA H 58 4.230 4.606 -0.376 1
1 673 . 5 1 1 A 58 58 TRP CA C 58 61.600 60.166 1.434 1
1 674 . 5 1 1 A 58 58 TRP CB C 58 29.000 29.828 -0.828 1
1 680 . 5 1 1 A 58 58 TRP N N 58 119.100 120.237 -1.137 1
1 682 . 5 1 1 A 59 59 LEU H H 59 9.500 8.753 0.747 1
1 683 . 5 1 1 A 59 59 LEU HA H 59 4.090 3.961 0.129 1
1 693 . 5 1 1 A 59 59 LEU CA C 59 58.500 58.000 0.500 1
1 694 . 5 1 1 A 59 59 LEU CB C 59 41.300 41.758 -0.458 1
1 698 . 5 1 1 A 59 59 LEU N N 59 127.300 121.416 5.884 1
1 699 . 5 1 1 A 60 60 GLY H H 60 8.480 8.074 0.406 1
1 700 . 5 1 1 A 60 60 GLY HA2 H 60 3.050 2.875 0.175 1
1 701 . 5 1 1 A 60 60 GLY HA3 H 60 2.250 3.207 -0.957 1
1 702 . 5 1 1 A 60 60 GLY CA C 60 47.500 46.572 0.928 1
1 703 . 5 1 1 A 60 60 GLY N N 60 105.100 106.518 -1.418 1
1 704 . 5 1 1 A 61 61 LYS H H 61 7.680 7.472 0.208 1
1 705 . 5 1 1 A 61 61 LYS HA H 61 3.890 3.929 -0.039 1
1 714 . 5 1 1 A 61 61 LYS CA C 61 59.300 59.313 -0.013 1
1 715 . 5 1 1 A 61 61 LYS CB C 61 32.000 32.257 -0.257 1
1 719 . 5 1 1 A 61 61 LYS N N 61 118.600 122.217 -3.617 1
1 720 . 5 1 1 A 62 62 THR H H 62 8.030 8.202 -0.172 1
1 721 . 5 1 1 A 62 62 THR HA H 62 3.780 4.330 -0.550 1
1 726 . 5 1 1 A 62 62 THR CA C 62 67.400 67.289 0.111 1
1 727 . 5 1 1 A 62 62 THR CB C 62 66.300 68.114 -1.814 1
1 729 . 5 1 1 A 62 62 THR N N 62 120.100 118.214 1.886 1
1 730 . 5 1 1 A 63 63 LEU H H 63 8.090 8.319 -0.229 1
1 731 . 5 1 1 A 63 63 LEU HA H 63 4.080 3.844 0.236 1
1 741 . 5 1 1 A 63 63 LEU CA C 63 57.800 57.626 0.174 1
1 742 . 5 1 1 A 63 63 LEU CB C 63 40.800 40.840 -0.040 1
1 746 . 5 1 1 A 63 63 LEU N N 63 121.400 120.996 0.404 1
1 747 . 5 1 1 A 64 64 GLN H H 64 8.300 7.939 0.361 1
1 748 . 5 1 1 A 64 64 GLN HA H 64 3.400 3.770 -0.370 1
1 755 . 5 1 1 A 64 64 GLN CA C 64 59.300 59.328 -0.028 1
1 756 . 5 1 1 A 64 64 GLN CB C 64 28.100 27.924 0.176 1
1 758 . 5 1 1 A 64 64 GLN N N 64 119.500 118.720 0.780 1
1 760 . 5 1 1 A 65 65 GLY H H 65 7.720 7.733 -0.013 1
1 761 . 5 1 1 A 65 65 GLY HA2 H 65 2.300 2.045 0.255 1
1 762 . 5 1 1 A 65 65 GLY HA3 H 65 3.430 3.239 0.191 1
1 763 . 5 1 1 A 65 65 GLY CA C 65 46.000 46.236 -0.236 1
1 764 . 5 1 1 A 65 65 GLY N N 65 110.300 106.701 3.599 1
1 765 . 5 1 1 A 66 66 GLN H H 66 7.250 7.466 -0.216 1
1 766 . 5 1 1 A 66 66 GLN HA H 66 4.270 4.272 -0.002 1
1 773 . 5 1 1 A 66 66 GLN CA C 66 55.900 57.193 -1.293 1
1 774 . 5 1 1 A 66 66 GLN CB C 66 30.000 29.428 0.572 1
1 776 . 5 1 1 A 66 66 GLN N N 66 117.500 120.173 -2.673 1
1 778 . 5 1 1 A 67 67 GLY H H 67 7.800 7.684 0.116 1
1 779 . 5 1 1 A 67 67 GLY HA2 H 67 4.230 3.940 0.290 1
1 780 . 5 1 1 A 67 67 GLY HA3 H 67 3.660 3.961 -0.301 1
1 781 . 5 1 1 A 67 67 GLY CA C 67 44.800 45.247 -0.447 1
1 782 . 5 1 1 A 67 67 GLY N N 67 107.400 107.363 0.037 1
1 783 . 5 1 1 A 68 68 ASP H H 68 8.100 7.624 0.476 1
1 784 . 5 1 1 A 68 68 ASP HA H 68 4.780 4.861 -0.081 1
1 787 . 5 1 1 A 68 68 ASP CA C 68 51.100 52.712 -1.612 1
1 788 . 5 1 1 A 68 68 ASP CB C 68 38.800 41.212 -2.412 1
1 789 . 5 1 1 A 68 68 ASP N N 68 121.600 120.511 1.089 1
1 790 . 5 1 1 A 69 69 ARG H H 69 7.770 8.737 -0.967 1
1 791 . 5 1 1 A 69 69 ARG HA H 69 3.650 4.037 -0.387 1
1 798 . 5 1 1 A 69 69 ARG CA C 69 59.800 58.840 0.960 1
1 799 . 5 1 1 A 69 69 ARG CB C 69 28.700 29.875 -1.175 1
1 802 . 5 1 1 A 69 69 ARG N N 69 123.700 126.064 -2.364 1
1 803 . 5 1 1 A 70 70 ALA H H 70 8.490 8.149 0.341 1
1 804 . 5 1 1 A 70 70 ALA HA H 70 4.040 4.066 -0.026 1
1 808 . 5 1 1 A 70 70 ALA CA C 70 54.700 54.877 -0.177 1
1 809 . 5 1 1 A 70 70 ALA CB C 70 17.800 18.876 -1.076 1
1 810 . 5 1 1 A 70 70 ALA N N 70 122.400 122.882 -0.482 1
1 811 . 5 1 1 A 71 71 GLY H H 71 8.540 8.539 0.001 1
1 812 . 5 1 1 A 71 71 GLY HA2 H 71 3.570 3.778 -0.208 1
1 813 . 5 1 1 A 71 71 GLY HA3 H 71 3.710 3.806 -0.096 1
1 814 . 5 1 1 A 71 71 GLY CA C 71 47.100 46.960 0.140 1
1 815 . 5 1 1 A 71 71 GLY N N 71 109.100 107.874 1.226 1
1 816 . 5 1 1 A 72 72 ALA H H 72 8.060 8.021 0.039 1
1 817 . 5 1 1 A 72 72 ALA HA H 72 3.310 3.577 -0.267 1
1 821 . 5 1 1 A 72 72 ALA CA C 72 55.200 55.241 -0.041 1
1 822 . 5 1 1 A 72 72 ALA CB C 72 17.200 18.228 -1.028 1
1 823 . 5 1 1 A 72 72 ALA N N 72 126.600 124.755 1.845 1
1 824 . 5 1 1 A 73 73 ARG H H 73 7.840 7.988 -0.148 1
1 825 . 5 1 1 A 73 73 ARG HA H 73 3.760 4.165 -0.405 1
1 832 . 5 1 1 A 73 73 ARG CA C 73 59.700 59.802 -0.102 1
1 833 . 5 1 1 A 73 73 ARG CB C 73 29.800 29.946 -0.146 1
1 836 . 5 1 1 A 73 73 ARG N N 73 116.300 118.559 -2.259 1
1 837 . 5 1 1 A 74 74 GLN H H 74 7.690 8.192 -0.502 1
1 838 . 5 1 1 A 74 74 GLN HA H 74 3.970 4.085 -0.115 1
1 845 . 5 1 1 A 74 74 GLN CA C 74 58.800 58.999 -0.199 1
1 846 . 5 1 1 A 74 74 GLN CB C 74 28.400 28.793 -0.393 1
1 848 . 5 1 1 A 74 74 GLN N N 74 116.500 119.257 -2.757 1
1 850 . 5 1 1 A 75 75 ALA H H 75 8.160 8.073 0.087 1
1 851 . 5 1 1 A 75 75 ALA HA H 75 4.350 4.338 0.012 1
1 855 . 5 1 1 A 75 75 ALA CA C 75 54.400 55.073 -0.673 1
1 856 . 5 1 1 A 75 75 ALA CB C 75 17.600 18.098 -0.498 1
1 857 . 5 1 1 A 75 75 ALA N N 75 121.900 121.130 0.770 1
1 858 . 5 1 1 A 76 76 TRP H H 76 8.640 8.067 0.573 1
1 859 . 5 1 1 A 76 76 TRP HA H 76 4.640 4.508 0.132 1
1 868 . 5 1 1 A 76 76 TRP CA C 76 58.200 60.342 -2.142 1
1 869 . 5 1 1 A 76 76 TRP CB C 76 27.600 29.656 -2.056 1
1 875 . 5 1 1 A 76 76 TRP N N 76 118.400 118.460 -0.060 1
1 877 . 5 1 1 A 77 77 GLU H H 77 9.050 8.597 0.453 1
1 878 . 5 1 1 A 77 77 GLU HA H 77 4.010 3.976 0.034 1
1 883 . 5 1 1 A 77 77 GLU CA C 77 58.900 59.872 -0.972 1
1 884 . 5 1 1 A 77 77 GLU CB C 77 28.100 29.519 -1.419 1
1 886 . 5 1 1 A 77 77 GLU N N 77 121.000 120.028 0.972 1
1 887 . 5 1 1 A 78 78 SER H H 78 8.280 7.929 0.351 1
1 888 . 5 1 1 A 78 78 SER HA H 78 3.800 4.115 -0.315 1
1 891 . 5 1 1 A 78 78 SER CA C 78 62.400 60.889 1.511 1
1 892 . 5 1 1 A 78 78 SER CB C 78 68.000 62.621 5.379 1
1 893 . 5 1 1 A 78 78 SER N N 78 120.000 115.593 4.407 1
1 894 . 5 1 1 A 79 79 GLY H H 79 8.580 8.586 -0.006 1
1 895 . 5 1 1 A 79 79 GLY HA2 H 79 3.470 3.700 -0.230 1
1 896 . 5 1 1 A 79 79 GLY HA3 H 79 3.580 4.084 -0.504 1
1 897 . 5 1 1 A 79 79 GLY CA C 79 47.000 46.776 0.224 1
1 898 . 5 1 1 A 79 79 GLY N N 79 111.000 107.972 3.028 1
1 899 . 5 1 1 A 80 80 LEU H H 80 8.640 7.777 0.863 1
1 900 . 5 1 1 A 80 80 LEU HA H 80 3.830 4.074 -0.244 1
1 910 . 5 1 1 A 80 80 LEU CA C 80 58.200 57.579 0.621 1
1 911 . 5 1 1 A 80 80 LEU CB C 80 41.800 41.590 0.210 1
1 915 . 5 1 1 A 80 80 LEU N N 80 125.600 122.910 2.690 1
1 916 . 5 1 1 A 81 81 ALA H H 81 7.400 7.674 -0.274 1
1 917 . 5 1 1 A 81 81 ALA HA H 81 4.140 3.921 0.219 1
1 921 . 5 1 1 A 81 81 ALA CA C 81 54.600 55.161 -0.561 1
1 922 . 5 1 1 A 81 81 ALA CB C 81 17.500 17.875 -0.375 1
1 923 . 5 1 1 A 81 81 ALA N N 81 120.400 120.160 0.240 1
1 924 . 5 1 1 A 82 82 ALA H H 82 7.640 7.936 -0.296 1
1 925 . 5 1 1 A 82 82 ALA HA H 82 4.160 4.928 -0.768 1
1 929 . 5 1 1 A 82 82 ALA CA C 82 54.700 55.019 -0.319 1
1 930 . 5 1 1 A 82 82 ALA CB C 82 17.200 18.375 -1.175 1
1 931 . 5 1 1 A 82 82 ALA N N 82 120.900 120.031 0.869 1
1 932 . 5 1 1 A 83 83 ALA H H 83 8.910 7.558 1.352 1
1 933 . 5 1 1 A 83 83 ALA HA H 83 4.260 3.974 0.286 1
1 937 . 5 1 1 A 83 83 ALA CA C 83 54.900 54.870 0.030 1
1 938 . 5 1 1 A 83 83 ALA CB C 83 18.600 18.423 0.177 1
1 939 . 5 1 1 A 83 83 ALA N N 83 122.000 120.945 1.055 1
1 940 . 5 1 1 A 84 84 GLN H H 84 8.770 8.093 0.677 1
1 941 . 5 1 1 A 84 84 GLN HA H 84 3.940 4.064 -0.124 1
1 948 . 5 1 1 A 84 84 GLN CA C 84 58.800 58.612 0.188 1
1 949 . 5 1 1 A 84 84 GLN CB C 84 28.200 28.333 -0.133 1
1 951 . 5 1 1 A 84 84 GLN N N 84 118.400 118.772 -0.372 1
1 953 . 5 1 1 A 85 85 SER H H 85 7.920 8.294 -0.374 1
1 954 . 5 1 1 A 85 85 SER HA H 85 4.250 4.172 0.078 1
1 957 . 5 1 1 A 85 85 SER CA C 85 61.200 61.179 0.021 1
1 958 . 5 1 1 A 85 85 SER CB C 85 62.700 63.040 -0.340 1
1 959 . 5 1 1 A 85 85 SER N N 85 115.200 115.508 -0.308 1
1 960 . 5 1 1 A 86 86 ARG H H 86 7.590 7.516 0.074 1
1 961 . 5 1 1 A 86 86 ARG HA H 86 4.380 4.370 0.010 1
1 968 . 5 1 1 A 86 86 ARG CA C 86 55.800 55.847 -0.047 1
1 969 . 5 1 1 A 86 86 ARG CB C 86 31.200 30.655 0.545 1
1 972 . 5 1 1 A 86 86 ARG N N 86 117.800 117.289 0.511 1
1 973 . 5 1 1 A 87 87 GLY H H 87 7.790 7.707 0.083 1
1 974 . 5 1 1 A 87 87 GLY HA2 H 87 3.870 3.872 -0.002 1
1 975 . 5 1 1 A 87 87 GLY HA3 H 87 4.080 3.877 0.203 1
1 976 . 5 1 1 A 87 87 GLY CA C 87 46.100 46.754 -0.654 1
1 977 . 5 1 1 A 87 87 GLY N N 87 109.100 109.024 0.076 1
1 978 . 5 1 1 A 88 88 ASP H H 88 8.210 8.446 -0.236 1
1 979 . 5 1 1 A 88 88 ASP HA H 88 4.830 4.788 0.042 1
1 982 . 5 1 1 A 88 88 ASP CA C 88 52.100 52.287 -0.187 1
1 983 . 5 1 1 A 88 88 ASP CB C 88 39.000 40.052 -1.052 1
1 984 . 5 1 1 A 88 88 ASP N N 88 120.200 120.989 -0.789 1
1 985 . 5 1 1 A 89 89 GLN H H 89 8.110 8.565 -0.455 1
1 986 . 5 1 1 A 89 89 GLN HA H 89 3.840 4.023 -0.183 1
1 993 . 5 1 1 A 89 89 GLN CA C 89 58.500 59.269 -0.769 1
1 994 . 5 1 1 A 89 89 GLN CB C 89 28.000 28.349 -0.349 1
1 996 . 5 1 1 A 89 89 GLN N N 89 122.400 125.394 -2.994 1
1 998 . 5 1 1 A 90 90 GLN H H 90 8.720 7.943 0.777 1
1 999 . 5 1 1 A 90 90 GLN HA H 90 4.000 4.039 -0.039 1
1 1006 . 5 1 1 A 90 90 GLN CA C 90 58.800 58.655 0.145 1
1 1007 . 5 1 1 A 90 90 GLN CB C 90 27.800 28.463 -0.663 1
1 1009 . 5 1 1 A 90 90 GLN N N 90 119.100 120.016 -0.916 1
1 1011 . 5 1 1 A 91 91 VAL H H 91 7.170 7.574 -0.404 1
1 1012 . 5 1 1 A 91 91 VAL HA H 91 3.660 3.620 0.040 1
1 1020 . 5 1 1 A 91 91 VAL CA C 91 65.500 66.192 -0.692 1
1 1021 . 5 1 1 A 91 91 VAL CB C 91 31.300 31.473 -0.173 1
1 1024 . 5 1 1 A 91 91 VAL N N 91 119.900 119.460 0.440 1
1 1025 . 5 1 1 A 92 92 VAL H H 92 7.880 7.837 0.043 1
1 1026 . 5 1 1 A 92 92 VAL HA H 92 3.240 3.474 -0.234 1
1 1034 . 5 1 1 A 92 92 VAL CA C 92 67.300 66.972 0.328 1
1 1035 . 5 1 1 A 92 92 VAL CB C 92 31.500 31.431 0.069 1
1 1038 . 5 1 1 A 92 92 VAL N N 92 119.900 120.606 -0.706 1
1 1039 . 5 1 1 A 93 93 LYS H H 93 7.480 8.048 -0.568 1
1 1040 . 5 1 1 A 93 93 LYS HA H 93 3.920 3.790 0.130 1
1 1049 . 5 1 1 A 93 93 LYS CA C 93 59.300 60.072 -0.772 1
1 1050 . 5 1 1 A 93 93 LYS CB C 93 31.900 32.018 -0.118 1
1 1054 . 5 1 1 A 93 93 LYS N N 93 116.000 118.638 -2.638 1
1 1055 . 5 1 1 A 94 94 GLU H H 94 7.480 7.869 -0.389 1
1 1056 . 5 1 1 A 94 94 GLU HA H 94 3.580 3.793 -0.213 1
1 1061 . 5 1 1 A 94 94 GLU CA C 94 58.600 58.751 -0.151 1
1 1062 . 5 1 1 A 94 94 GLU CB C 94 29.500 29.276 0.224 1
1 1064 . 5 1 1 A 94 94 GLU N N 94 117.500 120.433 -2.933 1
1 1065 . 5 1 1 A 95 95 LEU H H 95 8.370 8.572 -0.202 1
1 1066 . 5 1 1 A 95 95 LEU HA H 95 3.530 4.145 -0.615 1
1 1076 . 5 1 1 A 95 95 LEU CA C 95 57.600 57.727 -0.127 1
1 1077 . 5 1 1 A 95 95 LEU CB C 95 40.900 41.087 -0.187 1
1 1081 . 5 1 1 A 95 95 LEU N N 95 117.500 119.839 -2.339 1
1 1082 . 5 1 1 A 96 96 GLN H H 96 8.330 8.314 0.016 1
1 1083 . 5 1 1 A 96 96 GLN HA H 96 3.980 3.839 0.141 1
1 1090 . 5 1 1 A 96 96 GLN CA C 96 58.900 59.710 -0.810 1
1 1091 . 5 1 1 A 96 96 GLN CB C 96 28.100 27.883 0.217 1
1 1093 . 5 1 1 A 96 96 GLN N N 96 117.600 119.706 -2.106 1
1 1095 . 5 1 1 A 97 97 VAL H H 97 7.450 7.747 -0.297 1
1 1096 . 5 1 1 A 97 97 VAL HA H 97 3.450 3.392 0.058 1
1 1104 . 5 1 1 A 97 97 VAL CA C 97 66.700 66.120 0.580 1
1 1105 . 5 1 1 A 97 97 VAL CB C 97 31.000 31.116 -0.116 1
1 1108 . 5 1 1 A 97 97 VAL N N 97 120.300 119.160 1.140 1
1 1109 . 5 1 1 A 98 98 PHE H H 98 7.460 7.020 0.440 1
1 1110 . 5 1 1 A 98 98 PHE HA H 98 3.980 3.948 0.032 1
1 1118 . 5 1 1 A 98 98 PHE CA C 98 58.700 60.355 -1.655 1
1 1119 . 5 1 1 A 98 98 PHE CB C 98 35.500 37.494 -1.994 1
1 1123 . 5 1 1 A 98 98 PHE N N 98 119.100 118.005 1.095 1
1 1124 . 5 1 1 A 99 99 LEU H H 99 8.330 8.128 0.202 1
1 1125 . 5 1 1 A 99 99 LEU HA H 99 4.090 3.852 0.238 1
1 1135 . 5 1 1 A 99 99 LEU CA C 99 57.800 57.632 0.168 1
1 1136 . 5 1 1 A 99 99 LEU CB C 99 41.800 41.378 0.422 1
1 1140 . 5 1 1 A 99 99 LEU N N 99 119.300 119.584 -0.284 1
1 1141 . 5 1 1 A 100 100 ARG H H 100 8.350 7.841 0.509 1
1 1142 . 5 1 1 A 100 100 ARG HA H 100 4.110 3.979 0.131 1
1 1149 . 5 1 1 A 100 100 ARG CA C 100 59.300 59.549 -0.249 1
1 1150 . 5 1 1 A 100 100 ARG CB C 100 29.900 30.015 -0.115 1
1 1153 . 5 1 1 A 100 100 ARG N N 100 121.900 119.755 2.145 1
1 1154 . 5 1 1 A 101 101 ARG H H 101 8.110 7.854 0.256 1
1 1155 . 5 1 1 A 101 101 ARG HA H 101 4.020 4.060 -0.040 1
1 1162 . 5 1 1 A 101 101 ARG CA C 101 57.600 58.831 -1.231 1
1 1163 . 5 1 1 A 101 101 ARG CB C 101 30.200 29.943 0.257 1
1 1166 . 5 1 1 A 101 101 ARG N N 101 120.500 119.863 0.637 1
1 1167 . 5 1 1 A 102 102 LEU H H 102 7.890 8.385 -0.495 1
1 1168 . 5 1 1 A 102 102 LEU HA H 102 4.150 4.169 -0.019 1
1 1178 . 5 1 1 A 102 102 LEU CA C 102 57.600 57.524 0.076 1
1 1179 . 5 1 1 A 102 102 LEU CB C 102 42.300 41.476 0.824 1
1 1183 . 5 1 1 A 102 102 LEU N N 102 119.900 120.918 -1.018 1
1 1184 . 5 1 1 A 103 103 ALA H H 103 7.880 8.456 -0.576 1
1 1185 . 5 1 1 A 103 103 ALA HA H 103 4.170 3.908 0.262 1
1 1189 . 5 1 1 A 103 103 ALA CA C 103 54.700 55.122 -0.422 1
1 1190 . 5 1 1 A 103 103 ALA CB C 103 17.800 18.330 -0.530 1
1 1191 . 5 1 1 A 103 103 ALA N N 103 120.000 120.847 -0.847 1
1 1192 . 5 1 1 A 104 104 ARG H H 104 8.060 7.778 0.282 1
1 1193 . 5 1 1 A 104 104 ARG HA H 104 4.130 4.062 0.068 1
1 1200 . 5 1 1 A 104 104 ARG CA C 104 58.500 59.931 -1.431 1
1 1201 . 5 1 1 A 104 104 ARG CB C 104 29.800 30.060 -0.260 1
1 1204 . 5 1 1 A 104 104 ARG N N 104 119.800 117.504 2.296 1
1 1205 . 5 1 1 A 105 105 GLU H H 105 8.050 7.954 0.096 1
1 1206 . 5 1 1 A 105 105 GLU HA H 105 4.020 4.156 -0.136 1
1 1211 . 5 1 1 A 105 105 GLU CA C 105 58.500 59.398 -0.898 1
1 1212 . 5 1 1 A 105 105 GLU CB C 105 28.900 29.651 -0.751 1
1 1214 . 5 1 1 A 105 105 GLU N N 105 119.700 119.893 -0.193 1
1 1215 . 5 1 1 A 106 106 ASP H H 106 8.360 7.972 0.388 1
1 1216 . 5 1 1 A 106 106 ASP HA H 106 4.380 4.410 -0.030 1
1 1219 . 5 1 1 A 106 106 ASP CA C 106 56.500 57.341 -0.841 1
1 1220 . 5 1 1 A 106 106 ASP CB C 106 40.500 41.132 -0.632 1
1 1221 . 5 1 1 A 106 106 ASP N N 106 119.800 119.843 -0.043 1
1 1222 . 5 1 1 A 107 107 ALA H H 107 7.910 8.375 -0.465 1
1 1223 . 5 1 1 A 107 107 ALA HA H 107 4.150 4.002 0.148 1
1 1227 . 5 1 1 A 107 107 ALA CA C 107 54.200 54.988 -0.788 1
1 1228 . 5 1 1 A 107 107 ALA CB C 107 18.100 18.343 -0.243 1
1 1229 . 5 1 1 A 107 107 ALA N N 107 121.900 121.824 0.076 1
1 1230 . 5 1 1 A 108 108 LEU H H 108 7.840 7.457 0.383 1
1 1231 . 5 1 1 A 108 108 LEU HA H 108 4.120 4.059 0.061 1
1 1241 . 5 1 1 A 108 108 LEU CA C 108 56.400 57.771 -1.371 1
1 1242 . 5 1 1 A 108 108 LEU CB C 108 42.000 41.938 0.062 1
1 1246 . 5 1 1 A 108 108 LEU N N 108 119.000 118.612 0.388 1
1 1247 . 5 1 1 A 109 109 GLU H H 109 7.860 8.415 -0.555 1
1 1248 . 5 1 1 A 109 109 GLU HA H 109 4.090 4.135 -0.045 1
1 1253 . 5 1 1 A 109 109 GLU CA C 109 57.000 57.887 -0.887 1
1 1254 . 5 1 1 A 109 109 GLU CB C 109 29.100 27.797 1.303 1
1 1256 . 5 1 1 A 109 109 GLU N N 109 118.600 115.868 2.732 1
1 1257 . 5 1 1 A 110 110 HIS H H 110 8.140 8.619 -0.479 1
1 1258 . 5 1 1 A 110 110 HIS HA H 110 4.560 4.170 0.390 1
1 1261 . 5 1 1 A 110 110 HIS CA C 110 55.600 57.065 -1.465 1
1 1262 . 5 1 1 A 110 110 HIS CB C 110 28.300 29.253 -0.953 1
1 1263 . 5 1 1 A 110 110 HIS N N 110 117.000 115.331 1.669 1
1 1264 . 5 1 1 A 111 111 HIS H H 111 8.340 8.269 0.071 1
1 1265 . 5 1 1 A 111 111 HIS HA H 111 4.600 4.761 -0.161 1
1 1268 . 5 1 1 A 111 111 HIS CA C 111 55.500 56.856 -1.356 1
1 1269 . 5 1 1 A 111 111 HIS CB C 111 28.500 31.268 -2.768 1
1 1270 . 5 1 1 A 111 111 HIS N N 111 117.800 116.681 1.119 1
1 1271 . 5 1 1 A 112 112 HIS H H 112 8.530 8.380 0.150 1
1 1272 . 5 1 1 A 112 112 HIS HA H 112 4.620 4.718 -0.098 1
1 1275 . 5 1 1 A 112 112 HIS CA C 112 55.300 55.004 0.296 1
1 1276 . 5 1 1 A 112 112 HIS CB C 112 28.800 30.923 -2.123 1
1 1277 . 5 1 1 A 112 112 HIS N N 112 119.000 116.284 2.716 1
1 1278 . 5 1 1 A 113 113 HIS H H 113 8.660 8.309 0.351 1
1 1279 . 5 1 1 A 113 113 HIS HA H 113 4.640 4.397 0.243 1
1 1282 . 5 1 1 A 113 113 HIS CA C 113 55.200 56.677 -1.477 1
1 1283 . 5 1 1 A 113 113 HIS CB C 113 28.900 28.207 0.693 1
1 1284 . 5 1 1 A 113 113 HIS N N 113 120.000 118.184 1.816 1
1 1285 . 5 1 1 A 114 114 HIS H H 114 8.630 7.770 0.860 1
1 1286 . 5 1 1 A 114 114 HIS HA H 114 4.610 4.590 0.020 1
1 1289 . 5 1 1 A 114 114 HIS CA C 114 55.200 56.130 -0.930 1
1 1290 . 5 1 1 A 114 114 HIS CB C 114 28.900 30.074 -1.174 1
1 1291 . 5 1 1 A 114 114 HIS N N 114 120.800 122.167 -1.367 1
1 9 . 6 1 1 A 2 2 GLN H H 2 8.840 8.384 0.456 1
1 10 . 6 1 1 A 2 2 GLN HA H 2 4.310 4.346 -0.036 1
1 17 . 6 1 1 A 2 2 GLN CA C 2 55.600 55.987 -0.387 1
1 18 . 6 1 1 A 2 2 GLN CB C 2 29.900 29.870 0.030 1
1 20 . 6 1 1 A 2 2 GLN N N 2 124.000 120.624 3.376 1
1 22 . 6 1 1 A 3 3 ALA H H 3 8.780 8.630 0.150 1
1 23 . 6 1 1 A 3 3 ALA HA H 3 4.240 4.310 -0.070 1
1 27 . 6 1 1 A 3 3 ALA CA C 3 52.600 51.369 1.231 1
1 28 . 6 1 1 A 3 3 ALA CB C 3 18.800 17.470 1.330 1
1 29 . 6 1 1 A 3 3 ALA N N 3 127.500 127.252 0.248 1
1 30 . 6 1 1 A 4 4 ILE H H 4 8.490 7.903 0.587 1
1 31 . 6 1 1 A 4 4 ILE HA H 4 3.820 3.732 0.088 1
1 41 . 6 1 1 A 4 4 ILE CA C 4 63.700 64.781 -1.081 1
1 42 . 6 1 1 A 4 4 ILE CB C 4 37.800 37.429 0.371 1
1 46 . 6 1 1 A 4 4 ILE N N 4 120.900 123.477 -2.577 1
1 47 . 6 1 1 A 5 5 THR H H 5 7.730 8.187 -0.457 1
1 48 . 6 1 1 A 5 5 THR HA H 5 3.540 3.819 -0.279 1
1 53 . 6 1 1 A 5 5 THR CA C 5 64.700 65.697 -0.997 1
1 54 . 6 1 1 A 5 5 THR CB C 5 66.700 68.338 -1.638 1
1 56 . 6 1 1 A 5 5 THR N N 5 110.700 113.670 -2.970 1
1 57 . 6 1 1 A 6 6 GLU H H 6 7.220 8.074 -0.854 1
1 58 . 6 1 1 A 6 6 GLU HA H 6 3.940 3.986 -0.046 1
1 63 . 6 1 1 A 6 6 GLU CA C 6 59.200 59.405 -0.205 1
1 64 . 6 1 1 A 6 6 GLU CB C 6 28.900 29.410 -0.510 1
1 66 . 6 1 1 A 6 6 GLU N N 6 120.400 121.889 -1.489 1
1 67 . 6 1 1 A 7 7 ARG H H 7 7.930 7.998 -0.068 1
1 68 . 6 1 1 A 7 7 ARG HA H 7 3.950 4.083 -0.133 1
1 75 . 6 1 1 A 7 7 ARG CA C 7 59.100 58.860 0.240 1
1 76 . 6 1 1 A 7 7 ARG CB C 7 30.100 29.662 0.438 1
1 79 . 6 1 1 A 7 7 ARG N N 7 119.900 119.083 0.817 1
1 80 . 6 1 1 A 8 8 LEU H H 8 8.130 7.948 0.182 1
1 81 . 6 1 1 A 8 8 LEU HA H 8 4.150 3.869 0.281 1
1 91 . 6 1 1 A 8 8 LEU CA C 8 57.800 57.824 -0.024 1
1 92 . 6 1 1 A 8 8 LEU CB C 8 41.000 41.269 -0.269 1
1 96 . 6 1 1 A 8 8 LEU N N 8 119.600 121.390 -1.790 1
1 97 . 6 1 1 A 9 9 GLU H H 9 8.530 8.153 0.377 1
1 98 . 6 1 1 A 9 9 GLU HA H 9 4.150 4.016 0.134 1
1 103 . 6 1 1 A 9 9 GLU CA C 9 59.100 59.326 -0.226 1
1 104 . 6 1 1 A 9 9 GLU CB C 9 28.300 28.808 -0.508 1
1 106 . 6 1 1 A 9 9 GLU N N 9 118.200 117.604 0.596 1
1 107 . 6 1 1 A 10 10 ALA H H 10 7.800 7.814 -0.014 1
1 108 . 6 1 1 A 10 10 ALA HA H 10 4.230 4.072 0.158 1
1 112 . 6 1 1 A 10 10 ALA CA C 10 55.000 55.320 -0.320 1
1 113 . 6 1 1 A 10 10 ALA CB C 10 17.200 17.779 -0.579 1
1 114 . 6 1 1 A 10 10 ALA N N 10 122.900 122.901 -0.001 1
1 115 . 6 1 1 A 11 11 MET H H 11 7.700 7.890 -0.190 1
1 116 . 6 1 1 A 11 11 MET HA H 11 4.040 4.122 -0.082 1
1 124 . 6 1 1 A 11 11 MET CA C 11 58.900 58.617 0.283 1
1 125 . 6 1 1 A 11 11 MET CB C 11 31.800 32.801 -1.001 1
1 128 . 6 1 1 A 11 11 MET N N 11 118.800 116.830 1.970 1
1 129 . 6 1 1 A 12 12 LEU H H 12 8.070 7.947 0.123 1
1 130 . 6 1 1 A 12 12 LEU HA H 12 4.870 3.973 0.897 1
1 140 . 6 1 1 A 12 12 LEU CA C 12 56.900 57.895 -0.995 1
1 141 . 6 1 1 A 12 12 LEU CB C 12 41.900 41.395 0.505 1
1 145 . 6 1 1 A 12 12 LEU N N 12 122.500 119.822 2.678 1
1 146 . 6 1 1 A 13 13 ALA H H 13 8.150 7.685 0.465 1
1 147 . 6 1 1 A 13 13 ALA HA H 13 4.130 4.114 0.016 1
1 151 . 6 1 1 A 13 13 ALA CA C 13 54.100 54.419 -0.319 1
1 152 . 6 1 1 A 13 13 ALA CB C 13 17.700 18.199 -0.499 1
1 153 . 6 1 1 A 13 13 ALA N N 13 122.300 122.110 0.190 1
1 154 . 6 1 1 A 14 14 GLN H H 14 7.560 7.444 0.116 1
1 155 . 6 1 1 A 14 14 GLN HA H 14 4.340 4.384 -0.044 1
1 162 . 6 1 1 A 14 14 GLN CA C 14 55.500 55.760 -0.260 1
1 163 . 6 1 1 A 14 14 GLN CB C 14 28.700 29.316 -0.616 1
1 165 . 6 1 1 A 14 14 GLN N N 14 115.100 115.746 -0.646 1
1 167 . 6 1 1 A 15 15 GLY H H 15 7.870 7.845 0.025 1
1 168 . 6 1 1 A 15 15 GLY HA2 H 15 3.720 3.983 -0.263 1
1 169 . 6 1 1 A 15 15 GLY HA3 H 15 4.430 3.984 0.446 1
1 170 . 6 1 1 A 15 15 GLY CA C 15 45.100 44.858 0.242 1
1 171 . 6 1 1 A 15 15 GLY N N 15 106.800 106.924 -0.124 1
1 172 . 6 1 1 A 16 16 THR H H 16 7.980 8.056 -0.076 1
1 173 . 6 1 1 A 16 16 THR HA H 16 4.190 4.538 -0.348 1
1 178 . 6 1 1 A 16 16 THR CA C 16 62.600 60.890 1.710 1
1 179 . 6 1 1 A 16 16 THR CB C 16 68.800 66.880 1.920 1
1 181 . 6 1 1 A 16 16 THR N N 16 120.800 116.567 4.233 1
1 182 . 6 1 1 A 17 17 ASP H H 17 8.110 7.962 0.148 1
1 183 . 6 1 1 A 17 17 ASP HA H 17 4.830 4.354 0.476 1
1 186 . 6 1 1 A 17 17 ASP CA C 17 53.300 56.709 -3.409 1
1 187 . 6 1 1 A 17 17 ASP CB C 17 42.700 40.692 2.008 1
1 188 . 6 1 1 A 17 17 ASP N N 17 122.800 123.901 -1.101 1
1 189 . 6 1 1 A 18 18 ASN HA H 18 3.460 4.556 -1.096 1
1 194 . 6 1 1 A 18 18 ASN CA C 18 52.200 55.385 -3.185 1
1 195 . 6 1 1 A 18 18 ASN CB C 18 39.600 37.189 2.411 1
1 197 . 6 1 1 A 19 19 MET H H 19 8.260 8.863 -0.603 1
1 198 . 6 1 1 A 19 19 MET HA H 19 3.650 4.332 -0.682 1
1 206 . 6 1 1 A 19 19 MET CA C 19 61.100 57.981 3.119 1
1 207 . 6 1 1 A 19 19 MET CB C 19 32.900 33.081 -0.181 1
1 210 . 6 1 1 A 19 19 MET N N 19 119.100 120.961 -1.861 1
1 211 . 6 1 1 A 20 20 LEU H H 20 8.350 8.230 0.120 1
1 212 . 6 1 1 A 20 20 LEU HA H 20 4.220 3.956 0.264 1
1 222 . 6 1 1 A 20 20 LEU CA C 20 57.500 57.743 -0.243 1
1 223 . 6 1 1 A 20 20 LEU CB C 20 41.200 41.773 -0.573 1
1 227 . 6 1 1 A 20 20 LEU N N 20 120.400 121.200 -0.800 1
1 228 . 6 1 1 A 21 21 LEU H H 21 8.520 8.006 0.514 1
1 229 . 6 1 1 A 21 21 LEU HA H 21 3.910 4.109 -0.199 1
1 239 . 6 1 1 A 21 21 LEU CA C 21 59.200 57.886 1.314 1
1 240 . 6 1 1 A 21 21 LEU CB C 21 42.400 41.638 0.762 1
1 244 . 6 1 1 A 21 21 LEU N N 21 125.500 120.184 5.316 1
1 245 . 6 1 1 A 22 22 ARG H H 22 7.830 8.223 -0.393 1
1 246 . 6 1 1 A 22 22 ARG HA H 22 4.230 3.988 0.242 1
1 253 . 6 1 1 A 22 22 ARG CA C 22 57.300 59.636 -2.336 1
1 254 . 6 1 1 A 22 22 ARG CB C 22 28.800 29.666 -0.866 1
1 257 . 6 1 1 A 22 22 ARG N N 22 117.200 120.349 -3.149 1
1 258 . 6 1 1 A 23 23 PHE H H 23 9.380 7.992 1.388 1
1 259 . 6 1 1 A 23 23 PHE HA H 23 3.950 4.022 -0.072 1
1 267 . 6 1 1 A 23 23 PHE CA C 23 61.500 61.053 0.447 1
1 268 . 6 1 1 A 23 23 PHE CB C 23 40.200 39.086 1.114 1
1 272 . 6 1 1 A 23 23 PHE N N 23 118.500 121.396 -2.896 1
1 273 . 6 1 1 A 24 24 THR H H 24 8.600 8.031 0.569 1
1 274 . 6 1 1 A 24 24 THR HA H 24 4.030 3.848 0.182 1
1 279 . 6 1 1 A 24 24 THR CA C 24 68.000 66.885 1.115 1
1 280 . 6 1 1 A 24 24 THR CB C 24 67.400 67.995 -0.595 1
1 282 . 6 1 1 A 24 24 THR N N 24 115.400 115.323 0.077 1
1 283 . 6 1 1 A 25 25 LEU H H 25 8.200 7.388 0.812 1
1 284 . 6 1 1 A 25 25 LEU HA H 25 3.390 3.507 -0.117 1
1 294 . 6 1 1 A 25 25 LEU CA C 25 58.200 57.701 0.499 1
1 295 . 6 1 1 A 25 25 LEU CB C 25 42.200 41.356 0.844 1
1 299 . 6 1 1 A 25 25 LEU N N 25 124.500 120.499 4.001 1
1 300 . 6 1 1 A 26 26 GLY H H 26 8.520 7.800 0.720 1
1 301 . 6 1 1 A 26 26 GLY HA2 H 26 3.910 3.564 0.346 1
1 302 . 6 1 1 A 26 26 GLY HA3 H 26 3.570 3.715 -0.145 1
1 303 . 6 1 1 A 26 26 GLY CA C 26 48.400 46.870 1.530 1
1 304 . 6 1 1 A 26 26 GLY N N 26 104.600 105.386 -0.786 1
1 305 . 6 1 1 A 27 27 LYS H H 27 8.730 7.698 1.032 1
1 306 . 6 1 1 A 27 27 LYS HA H 27 2.970 2.868 0.102 1
1 315 . 6 1 1 A 27 27 LYS CA C 27 59.100 58.039 1.061 1
1 316 . 6 1 1 A 27 27 LYS CB C 27 31.400 31.042 0.358 1
1 320 . 6 1 1 A 27 27 LYS N N 27 121.200 120.957 0.243 1
1 321 . 6 1 1 A 28 28 THR H H 28 7.420 7.130 0.290 1
1 322 . 6 1 1 A 28 28 THR HA H 28 3.680 3.727 -0.047 1
1 327 . 6 1 1 A 28 28 THR CA C 28 67.100 66.354 0.746 1
1 328 . 6 1 1 A 28 28 THR CB C 28 67.700 68.159 -0.459 1
1 330 . 6 1 1 A 28 28 THR N N 28 114.500 116.332 -1.832 1
1 331 . 6 1 1 A 29 29 TYR H H 29 8.220 7.739 0.481 1
1 332 . 6 1 1 A 29 29 TYR HA H 29 4.380 4.256 0.124 1
1 339 . 6 1 1 A 29 29 TYR CA C 29 61.400 60.388 1.012 1
1 340 . 6 1 1 A 29 29 TYR CB C 29 37.100 37.111 -0.011 1
1 343 . 6 1 1 A 29 29 TYR N N 29 120.400 120.695 -0.295 1
1 344 . 6 1 1 A 30 30 ALA H H 30 8.500 8.029 0.471 1
1 345 . 6 1 1 A 30 30 ALA HA H 30 3.770 3.569 0.201 1
1 349 . 6 1 1 A 30 30 ALA CA C 30 56.000 54.785 1.215 1
1 350 . 6 1 1 A 30 30 ALA CB C 30 18.200 17.910 0.290 1
1 351 . 6 1 1 A 30 30 ALA N N 30 123.300 123.197 0.103 1
1 352 . 6 1 1 A 31 31 GLU H H 31 8.940 7.690 1.250 1
1 353 . 6 1 1 A 31 31 GLU HA H 31 4.180 4.203 -0.023 1
1 358 . 6 1 1 A 31 31 GLU CA C 31 58.600 58.570 0.030 1
1 359 . 6 1 1 A 31 31 GLU CB C 31 28.700 29.353 -0.653 1
1 361 . 6 1 1 A 31 31 GLU N N 31 120.700 118.922 1.778 1
1 362 . 6 1 1 A 32 32 HIS H H 32 7.340 7.488 -0.148 1
1 363 . 6 1 1 A 32 32 HIS HA H 32 4.740 4.548 0.192 1
1 368 . 6 1 1 A 32 32 HIS CA C 32 54.800 55.682 -0.882 1
1 369 . 6 1 1 A 32 32 HIS CB C 32 28.200 29.875 -1.675 1
1 372 . 6 1 1 A 32 32 HIS N N 32 115.300 115.892 -0.592 1
1 373 . 6 1 1 A 33 33 GLU H H 33 7.830 7.754 0.076 1
1 374 . 6 1 1 A 33 33 GLU HA H 33 2.500 3.259 -0.759 1
1 379 . 6 1 1 A 33 33 GLU CA C 33 56.800 57.553 -0.753 1
1 380 . 6 1 1 A 33 33 GLU CB C 33 25.000 29.460 -4.460 1
1 382 . 6 1 1 A 33 33 GLU N N 33 112.200 117.919 -5.719 1
1 383 . 6 1 1 A 34 34 GLN H H 34 8.030 8.228 -0.198 1
1 384 . 6 1 1 A 34 34 GLN HA H 34 4.460 4.501 -0.041 1
1 391 . 6 1 1 A 34 34 GLN CA C 34 53.200 54.848 -1.648 1
1 392 . 6 1 1 A 34 34 GLN CB C 34 26.500 28.061 -1.561 1
1 394 . 6 1 1 A 34 34 GLN N N 34 121.000 118.448 2.552 1
1 396 . 6 1 1 A 35 35 PHE H H 35 7.050 7.592 -0.542 1
1 397 . 6 1 1 A 35 35 PHE HA H 35 4.180 4.181 -0.001 1
1 405 . 6 1 1 A 35 35 PHE CA C 35 60.700 60.761 -0.061 1
1 406 . 6 1 1 A 35 35 PHE CB C 35 38.200 38.745 -0.545 1
1 410 . 6 1 1 A 35 35 PHE N N 35 118.600 120.154 -1.554 1
1 411 . 6 1 1 A 36 36 ASP H H 36 8.410 8.377 0.033 1
1 412 . 6 1 1 A 36 36 ASP HA H 36 4.200 4.358 -0.158 1
1 415 . 6 1 1 A 36 36 ASP CA C 36 56.700 57.721 -1.021 1
1 416 . 6 1 1 A 36 36 ASP CB C 36 38.800 41.412 -2.612 1
1 417 . 6 1 1 A 36 36 ASP N N 36 117.000 120.317 -3.317 1
1 418 . 6 1 1 A 37 37 ALA H H 37 7.540 7.614 -0.074 1
1 419 . 6 1 1 A 37 37 ALA HA H 37 3.860 4.081 -0.221 1
1 423 . 6 1 1 A 37 37 ALA CA C 37 52.900 54.670 -1.770 1
1 424 . 6 1 1 A 37 37 ALA CB C 37 16.300 17.806 -1.506 1
1 425 . 6 1 1 A 37 37 ALA N N 37 120.900 121.127 -0.227 1
1 426 . 6 1 1 A 38 38 ALA H H 38 7.700 7.946 -0.246 1
1 427 . 6 1 1 A 38 38 ALA HA H 38 4.210 4.281 -0.071 1
1 431 . 6 1 1 A 38 38 ALA CA C 38 55.100 55.159 -0.059 1
1 432 . 6 1 1 A 38 38 ALA CB C 38 20.500 18.201 2.299 1
1 433 . 6 1 1 A 38 38 ALA N N 38 117.600 120.317 -2.717 1
1 434 . 6 1 1 A 39 39 LEU H H 39 7.430 8.251 -0.821 1
1 435 . 6 1 1 A 39 39 LEU HA H 39 4.050 3.975 0.075 1
1 445 . 6 1 1 A 39 39 LEU CA C 39 60.500 60.028 0.472 1
1 446 . 6 1 1 A 39 39 LEU CB C 39 39.200 40.117 -0.917 1
1 450 . 6 1 1 A 39 39 LEU N N 39 114.900 118.425 -3.525 1
1 451 . 6 1 1 A 40 40 PRO HA H 40 4.180 4.283 -0.103 1
1 458 . 6 1 1 A 40 40 PRO CA C 40 65.100 65.858 -0.758 1
1 459 . 6 1 1 A 40 40 PRO CB C 40 30.600 30.678 -0.078 1
1 462 . 6 1 1 A 41 41 HIS H H 41 6.570 7.536 -0.966 1
1 463 . 6 1 1 A 41 41 HIS HA H 41 4.740 4.229 0.511 1
1 468 . 6 1 1 A 41 41 HIS CA C 41 58.800 59.528 -0.728 1
1 469 . 6 1 1 A 41 41 HIS CB C 41 30.800 30.152 0.648 1
1 472 . 6 1 1 A 41 41 HIS N N 41 116.500 116.220 0.280 1
1 473 . 6 1 1 A 42 42 LEU H H 42 8.140 8.711 -0.571 1
1 474 . 6 1 1 A 42 42 LEU HA H 42 4.120 4.031 0.089 1
1 484 . 6 1 1 A 42 42 LEU CA C 42 57.800 57.972 -0.172 1
1 485 . 6 1 1 A 42 42 LEU CB C 42 42.100 41.600 0.500 1
1 489 . 6 1 1 A 42 42 LEU N N 42 119.900 121.178 -1.278 1
1 490 . 6 1 1 A 43 43 ARG H H 43 8.300 8.537 -0.237 1
1 491 . 6 1 1 A 43 43 ARG HA H 43 3.740 4.008 -0.268 1
1 498 . 6 1 1 A 43 43 ARG CA C 43 59.700 59.502 0.198 1
1 499 . 6 1 1 A 43 43 ARG CB C 43 28.300 30.040 -1.740 1
1 502 . 6 1 1 A 43 43 ARG N N 43 116.400 119.698 -3.298 1
1 503 . 6 1 1 A 44 44 ALA H H 44 7.850 8.116 -0.266 1
1 504 . 6 1 1 A 44 44 ALA HA H 44 4.060 4.116 -0.056 1
1 508 . 6 1 1 A 44 44 ALA CA C 44 54.600 54.923 -0.323 1
1 509 . 6 1 1 A 44 44 ALA CB C 44 17.000 18.212 -1.212 1
1 510 . 6 1 1 A 44 44 ALA N N 44 121.000 120.549 0.451 1
1 511 . 6 1 1 A 45 45 ALA H H 45 8.440 7.606 0.834 1
1 512 . 6 1 1 A 45 45 ALA HA H 45 4.270 4.243 0.027 1
1 516 . 6 1 1 A 45 45 ALA CA C 45 56.200 55.108 1.092 1
1 517 . 6 1 1 A 45 45 ALA CB C 45 17.000 18.426 -1.426 1
1 518 . 6 1 1 A 45 45 ALA N N 45 121.200 120.851 0.349 1
1 519 . 6 1 1 A 46 46 LEU H H 46 7.310 8.162 -0.852 1
1 520 . 6 1 1 A 46 46 LEU HA H 46 4.010 4.245 -0.235 1
1 530 . 6 1 1 A 46 46 LEU CA C 46 55.900 57.878 -1.978 1
1 531 . 6 1 1 A 46 46 LEU CB C 46 42.200 41.279 0.921 1
1 535 . 6 1 1 A 46 46 LEU N N 46 116.800 118.628 -1.828 1
1 536 . 6 1 1 A 47 47 ASP H H 47 7.590 8.339 -0.749 1
1 537 . 6 1 1 A 47 47 ASP HA H 47 4.440 4.237 0.203 1
1 540 . 6 1 1 A 47 47 ASP CA C 47 55.500 57.236 -1.736 1
1 541 . 6 1 1 A 47 47 ASP CB C 47 39.200 41.399 -2.199 1
1 542 . 6 1 1 A 47 47 ASP N N 47 118.900 119.962 -1.062 1
1 543 . 6 1 1 A 48 48 PHE H H 48 7.490 7.876 -0.386 1
1 544 . 6 1 1 A 48 48 PHE HA H 48 4.450 4.368 0.082 1
1 552 . 6 1 1 A 48 48 PHE CA C 48 61.200 59.897 1.303 1
1 553 . 6 1 1 A 48 48 PHE CB C 48 39.600 40.175 -0.575 1
1 557 . 6 1 1 A 48 48 PHE N N 48 117.200 116.150 1.050 1
1 558 . 6 1 1 A 49 49 ASP H H 49 7.790 8.035 -0.245 1
1 559 . 6 1 1 A 49 49 ASP HA H 49 4.980 5.085 -0.105 1
1 562 . 6 1 1 A 49 49 ASP CA C 49 51.000 51.273 -0.273 1
1 563 . 6 1 1 A 49 49 ASP CB C 49 41.800 41.629 0.171 1
1 564 . 6 1 1 A 49 49 ASP N N 49 113.500 117.769 -4.269 1
1 565 . 6 1 1 A 50 50 PRO HA H 50 4.780 4.668 0.112 1
1 572 . 6 1 1 A 50 50 PRO CA C 50 64.000 64.225 -0.225 1
1 573 . 6 1 1 A 50 50 PRO CB C 50 32.000 31.863 0.137 1
1 576 . 6 1 1 A 51 51 THR H H 51 8.640 8.019 0.621 1
1 577 . 6 1 1 A 51 51 THR HA H 51 4.620 4.947 -0.327 1
1 582 . 6 1 1 A 51 51 THR CA C 51 60.900 62.044 -1.144 1
1 583 . 6 1 1 A 51 51 THR CB C 51 68.600 69.306 -0.706 1
1 585 . 6 1 1 A 51 51 THR N N 51 111.900 108.881 3.019 1
1 586 . 6 1 1 A 52 52 TYR H H 52 7.350 7.823 -0.473 1
1 587 . 6 1 1 A 52 52 TYR HA H 52 4.820 4.641 0.179 1
1 594 . 6 1 1 A 52 52 TYR CA C 52 56.100 55.657 0.443 1
1 595 . 6 1 1 A 52 52 TYR CB C 52 35.900 37.698 -1.798 1
1 598 . 6 1 1 A 52 52 TYR N N 52 122.600 123.509 -0.909 1
1 599 . 6 1 1 A 53 53 SER H H 53 8.480 7.975 0.505 1
1 600 . 6 1 1 A 53 53 SER HA H 53 4.170 1.361 2.809 1
1 603 . 6 1 1 A 53 53 SER CA C 53 62.900 61.318 1.582 1
1 604 . 6 1 1 A 53 53 SER CB C 53 62.900 62.346 0.554 1
1 605 . 6 1 1 A 53 53 SER N N 53 127.100 122.394 4.706 1
1 606 . 6 1 1 A 54 54 VAL H H 54 7.860 7.468 0.392 1
1 607 . 6 1 1 A 54 54 VAL HA H 54 3.850 3.591 0.259 1
1 615 . 6 1 1 A 54 54 VAL CA C 54 65.500 66.525 -1.025 1
1 616 . 6 1 1 A 54 54 VAL CB C 54 31.200 31.558 -0.358 1
1 619 . 6 1 1 A 54 54 VAL N N 54 116.800 121.261 -4.461 1
1 620 . 6 1 1 A 55 55 ALA H H 55 7.120 8.019 -0.899 1
1 621 . 6 1 1 A 55 55 ALA HA H 55 4.490 4.772 -0.282 1
1 625 . 6 1 1 A 55 55 ALA CA C 55 55.700 55.342 0.358 1
1 626 . 6 1 1 A 55 55 ALA CB C 55 16.700 18.534 -1.834 1
1 627 . 6 1 1 A 55 55 ALA N N 55 123.000 121.461 1.539 1
1 628 . 6 1 1 A 56 56 TRP H H 56 7.340 7.411 -0.071 1
1 629 . 6 1 1 A 56 56 TRP HA H 56 4.160 4.585 -0.425 1
1 638 . 6 1 1 A 56 56 TRP CA C 56 60.700 59.985 0.715 1
1 639 . 6 1 1 A 56 56 TRP CB C 56 30.100 29.082 1.018 1
1 645 . 6 1 1 A 56 56 TRP N N 56 119.300 118.382 0.918 1
1 647 . 6 1 1 A 57 57 LYS H H 57 8.330 8.217 0.113 1
1 648 . 6 1 1 A 57 57 LYS HA H 57 3.970 4.347 -0.377 1
1 657 . 6 1 1 A 57 57 LYS CA C 57 59.300 59.203 0.097 1
1 658 . 6 1 1 A 57 57 LYS CB C 57 34.400 31.919 2.481 1
1 662 . 6 1 1 A 57 57 LYS N N 57 117.700 120.165 -2.465 1
1 663 . 6 1 1 A 58 58 TRP H H 58 8.170 8.082 0.088 1
1 664 . 6 1 1 A 58 58 TRP HA H 58 4.230 4.617 -0.387 1
1 673 . 6 1 1 A 58 58 TRP CA C 58 61.600 60.142 1.458 1
1 674 . 6 1 1 A 58 58 TRP CB C 58 29.000 29.464 -0.464 1
1 680 . 6 1 1 A 58 58 TRP N N 58 119.100 121.143 -2.043 1
1 682 . 6 1 1 A 59 59 LEU H H 59 9.500 8.632 0.868 1
1 683 . 6 1 1 A 59 59 LEU HA H 59 4.090 4.082 0.008 1
1 693 . 6 1 1 A 59 59 LEU CA C 59 58.500 58.567 -0.067 1
1 694 . 6 1 1 A 59 59 LEU CB C 59 41.300 42.151 -0.851 1
1 698 . 6 1 1 A 59 59 LEU N N 59 127.300 120.764 6.536 1
1 699 . 6 1 1 A 60 60 GLY H H 60 8.480 8.220 0.260 1
1 700 . 6 1 1 A 60 60 GLY HA2 H 60 3.050 2.824 0.226 1
1 701 . 6 1 1 A 60 60 GLY HA3 H 60 2.250 3.260 -1.010 1
1 702 . 6 1 1 A 60 60 GLY CA C 60 47.500 46.770 0.730 1
1 703 . 6 1 1 A 60 60 GLY N N 60 105.100 105.037 0.063 1
1 704 . 6 1 1 A 61 61 LYS H H 61 7.680 7.738 -0.058 1
1 705 . 6 1 1 A 61 61 LYS HA H 61 3.890 4.074 -0.184 1
1 714 . 6 1 1 A 61 61 LYS CA C 61 59.300 59.444 -0.144 1
1 715 . 6 1 1 A 61 61 LYS CB C 61 32.000 32.416 -0.416 1
1 719 . 6 1 1 A 61 61 LYS N N 61 118.600 122.663 -4.063 1
1 720 . 6 1 1 A 62 62 THR H H 62 8.030 8.607 -0.577 1
1 721 . 6 1 1 A 62 62 THR HA H 62 3.780 4.249 -0.469 1
1 726 . 6 1 1 A 62 62 THR CA C 62 67.400 67.212 0.188 1
1 727 . 6 1 1 A 62 62 THR CB C 62 66.300 68.011 -1.711 1
1 729 . 6 1 1 A 62 62 THR N N 62 120.100 119.232 0.868 1
1 730 . 6 1 1 A 63 63 LEU H H 63 8.090 8.366 -0.276 1
1 731 . 6 1 1 A 63 63 LEU HA H 63 4.080 3.892 0.188 1
1 741 . 6 1 1 A 63 63 LEU CA C 63 57.800 57.841 -0.041 1
1 742 . 6 1 1 A 63 63 LEU CB C 63 40.800 40.894 -0.094 1
1 746 . 6 1 1 A 63 63 LEU N N 63 121.400 121.312 0.088 1
1 747 . 6 1 1 A 64 64 GLN H H 64 8.300 8.130 0.170 1
1 748 . 6 1 1 A 64 64 GLN HA H 64 3.400 3.836 -0.436 1
1 755 . 6 1 1 A 64 64 GLN CA C 64 59.300 59.492 -0.192 1
1 756 . 6 1 1 A 64 64 GLN CB C 64 28.100 27.824 0.276 1
1 758 . 6 1 1 A 64 64 GLN N N 64 119.500 118.480 1.020 1
1 760 . 6 1 1 A 65 65 GLY H H 65 7.720 7.970 -0.250 1
1 761 . 6 1 1 A 65 65 GLY HA2 H 65 2.300 2.030 0.270 1
1 762 . 6 1 1 A 65 65 GLY HA3 H 65 3.430 3.373 0.057 1
1 763 . 6 1 1 A 65 65 GLY CA C 65 46.000 46.660 -0.660 1
1 764 . 6 1 1 A 65 65 GLY N N 65 110.300 107.264 3.036 1
1 765 . 6 1 1 A 66 66 GLN H H 66 7.250 7.270 -0.020 1
1 766 . 6 1 1 A 66 66 GLN HA H 66 4.270 4.130 0.140 1
1 773 . 6 1 1 A 66 66 GLN CA C 66 55.900 57.848 -1.948 1
1 774 . 6 1 1 A 66 66 GLN CB C 66 30.000 29.306 0.694 1
1 776 . 6 1 1 A 66 66 GLN N N 66 117.500 120.392 -2.892 1
1 778 . 6 1 1 A 67 67 GLY H H 67 7.800 7.910 -0.110 1
1 779 . 6 1 1 A 67 67 GLY HA2 H 67 4.230 3.999 0.231 1
1 780 . 6 1 1 A 67 67 GLY HA3 H 67 3.660 4.016 -0.356 1
1 781 . 6 1 1 A 67 67 GLY CA C 67 44.800 44.871 -0.071 1
1 782 . 6 1 1 A 67 67 GLY N N 67 107.400 107.452 -0.052 1
1 783 . 6 1 1 A 68 68 ASP H H 68 8.100 8.181 -0.081 1
1 784 . 6 1 1 A 68 68 ASP HA H 68 4.780 4.778 0.002 1
1 787 . 6 1 1 A 68 68 ASP CA C 68 51.100 52.703 -1.603 1
1 788 . 6 1 1 A 68 68 ASP CB C 68 38.800 38.603 0.197 1
1 789 . 6 1 1 A 68 68 ASP N N 68 121.600 121.024 0.576 1
1 790 . 6 1 1 A 69 69 ARG H H 69 7.770 8.253 -0.483 1
1 791 . 6 1 1 A 69 69 ARG HA H 69 3.650 3.982 -0.332 1
1 798 . 6 1 1 A 69 69 ARG CA C 69 59.800 58.845 0.955 1
1 799 . 6 1 1 A 69 69 ARG CB C 69 28.700 29.914 -1.214 1
1 802 . 6 1 1 A 69 69 ARG N N 69 123.700 122.865 0.835 1
1 803 . 6 1 1 A 70 70 ALA H H 70 8.490 8.085 0.405 1
1 804 . 6 1 1 A 70 70 ALA HA H 70 4.040 3.998 0.042 1
1 808 . 6 1 1 A 70 70 ALA CA C 70 54.700 54.755 -0.055 1
1 809 . 6 1 1 A 70 70 ALA CB C 70 17.800 19.039 -1.239 1
1 810 . 6 1 1 A 70 70 ALA N N 70 122.400 122.326 0.074 1
1 811 . 6 1 1 A 71 71 GLY H H 71 8.540 8.192 0.348 1
1 812 . 6 1 1 A 71 71 GLY HA2 H 71 3.570 3.698 -0.128 1
1 813 . 6 1 1 A 71 71 GLY HA3 H 71 3.710 3.711 -0.001 1
1 814 . 6 1 1 A 71 71 GLY CA C 71 47.100 47.136 -0.036 1
1 815 . 6 1 1 A 71 71 GLY N N 71 109.100 107.731 1.369 1
1 816 . 6 1 1 A 72 72 ALA H H 72 8.060 8.304 -0.244 1
1 817 . 6 1 1 A 72 72 ALA HA H 72 3.310 3.461 -0.151 1
1 821 . 6 1 1 A 72 72 ALA CA C 72 55.200 55.043 0.157 1
1 822 . 6 1 1 A 72 72 ALA CB C 72 17.200 17.694 -0.494 1
1 823 . 6 1 1 A 72 72 ALA N N 72 126.600 124.408 2.192 1
1 824 . 6 1 1 A 73 73 ARG H H 73 7.840 7.329 0.511 1
1 825 . 6 1 1 A 73 73 ARG HA H 73 3.760 4.139 -0.379 1
1 832 . 6 1 1 A 73 73 ARG CA C 73 59.700 59.504 0.196 1
1 833 . 6 1 1 A 73 73 ARG CB C 73 29.800 29.734 0.066 1
1 836 . 6 1 1 A 73 73 ARG N N 73 116.300 118.482 -2.182 1
1 837 . 6 1 1 A 74 74 GLN H H 74 7.690 8.123 -0.433 1
1 838 . 6 1 1 A 74 74 GLN HA H 74 3.970 4.045 -0.075 1
1 845 . 6 1 1 A 74 74 GLN CA C 74 58.800 59.048 -0.248 1
1 846 . 6 1 1 A 74 74 GLN CB C 74 28.400 28.859 -0.459 1
1 848 . 6 1 1 A 74 74 GLN N N 74 116.500 118.955 -2.455 1
1 850 . 6 1 1 A 75 75 ALA H H 75 8.160 7.891 0.269 1
1 851 . 6 1 1 A 75 75 ALA HA H 75 4.350 4.095 0.255 1
1 855 . 6 1 1 A 75 75 ALA CA C 75 54.400 54.911 -0.511 1
1 856 . 6 1 1 A 75 75 ALA CB C 75 17.600 18.026 -0.426 1
1 857 . 6 1 1 A 75 75 ALA N N 75 121.900 121.176 0.724 1
1 858 . 6 1 1 A 76 76 TRP H H 76 8.640 7.895 0.745 1
1 859 . 6 1 1 A 76 76 TRP HA H 76 4.640 4.478 0.162 1
1 868 . 6 1 1 A 76 76 TRP CA C 76 58.200 60.152 -1.952 1
1 869 . 6 1 1 A 76 76 TRP CB C 76 27.600 29.636 -2.036 1
1 875 . 6 1 1 A 76 76 TRP N N 76 118.400 118.459 -0.059 1
1 877 . 6 1 1 A 77 77 GLU H H 77 9.050 8.543 0.507 1
1 878 . 6 1 1 A 77 77 GLU HA H 77 4.010 4.040 -0.030 1
1 883 . 6 1 1 A 77 77 GLU CA C 77 58.900 59.838 -0.938 1
1 884 . 6 1 1 A 77 77 GLU CB C 77 28.100 29.466 -1.366 1
1 886 . 6 1 1 A 77 77 GLU N N 77 121.000 120.159 0.841 1
1 887 . 6 1 1 A 78 78 SER H H 78 8.280 7.938 0.342 1
1 888 . 6 1 1 A 78 78 SER HA H 78 3.800 4.194 -0.394 1
1 891 . 6 1 1 A 78 78 SER CA C 78 62.400 60.950 1.450 1
1 892 . 6 1 1 A 78 78 SER CB C 78 68.000 62.719 5.281 1
1 893 . 6 1 1 A 78 78 SER N N 78 120.000 115.769 4.231 1
1 894 . 6 1 1 A 79 79 GLY H H 79 8.580 8.381 0.199 1
1 895 . 6 1 1 A 79 79 GLY HA2 H 79 3.470 3.583 -0.113 1
1 896 . 6 1 1 A 79 79 GLY HA3 H 79 3.580 3.837 -0.257 1
1 897 . 6 1 1 A 79 79 GLY CA C 79 47.000 46.252 0.748 1
1 898 . 6 1 1 A 79 79 GLY N N 79 111.000 107.869 3.131 1
1 899 . 6 1 1 A 80 80 LEU H H 80 8.640 7.649 0.991 1
1 900 . 6 1 1 A 80 80 LEU HA H 80 3.830 4.098 -0.268 1
1 910 . 6 1 1 A 80 80 LEU CA C 80 58.200 57.657 0.543 1
1 911 . 6 1 1 A 80 80 LEU CB C 80 41.800 41.395 0.405 1
1 915 . 6 1 1 A 80 80 LEU N N 80 125.600 122.365 3.235 1
1 916 . 6 1 1 A 81 81 ALA H H 81 7.400 8.318 -0.918 1
1 917 . 6 1 1 A 81 81 ALA HA H 81 4.140 3.929 0.211 1
1 921 . 6 1 1 A 81 81 ALA CA C 81 54.600 55.156 -0.556 1
1 922 . 6 1 1 A 81 81 ALA CB C 81 17.500 18.119 -0.619 1
1 923 . 6 1 1 A 81 81 ALA N N 81 120.400 120.523 -0.123 1
1 924 . 6 1 1 A 82 82 ALA H H 82 7.640 7.848 -0.208 1
1 925 . 6 1 1 A 82 82 ALA HA H 82 4.160 3.878 0.282 1
1 929 . 6 1 1 A 82 82 ALA CA C 82 54.700 54.551 0.149 1
1 930 . 6 1 1 A 82 82 ALA CB C 82 17.200 18.040 -0.840 1
1 931 . 6 1 1 A 82 82 ALA N N 82 120.900 120.197 0.703 1
1 932 . 6 1 1 A 83 83 ALA H H 83 8.910 7.996 0.914 1
1 933 . 6 1 1 A 83 83 ALA HA H 83 4.260 4.504 -0.244 1
1 937 . 6 1 1 A 83 83 ALA CA C 83 54.900 55.614 -0.714 1
1 938 . 6 1 1 A 83 83 ALA CB C 83 18.600 17.864 0.736 1
1 939 . 6 1 1 A 83 83 ALA N N 83 122.000 119.711 2.289 1
1 940 . 6 1 1 A 84 84 GLN H H 84 8.770 8.401 0.369 1
1 941 . 6 1 1 A 84 84 GLN HA H 84 3.940 4.074 -0.134 1
1 948 . 6 1 1 A 84 84 GLN CA C 84 58.800 59.234 -0.434 1
1 949 . 6 1 1 A 84 84 GLN CB C 84 28.200 28.331 -0.131 1
1 951 . 6 1 1 A 84 84 GLN N N 84 118.400 118.804 -0.404 1
1 953 . 6 1 1 A 85 85 SER H H 85 7.920 8.296 -0.376 1
1 954 . 6 1 1 A 85 85 SER HA H 85 4.250 4.122 0.128 1
1 957 . 6 1 1 A 85 85 SER CA C 85 61.200 61.484 -0.284 1
1 958 . 6 1 1 A 85 85 SER CB C 85 62.700 62.966 -0.266 1
1 959 . 6 1 1 A 85 85 SER N N 85 115.200 115.445 -0.245 1
1 960 . 6 1 1 A 86 86 ARG H H 86 7.590 7.798 -0.208 1
1 961 . 6 1 1 A 86 86 ARG HA H 86 4.380 4.429 -0.049 1
1 968 . 6 1 1 A 86 86 ARG CA C 86 55.800 56.049 -0.249 1
1 969 . 6 1 1 A 86 86 ARG CB C 86 31.200 30.824 0.376 1
1 972 . 6 1 1 A 86 86 ARG N N 86 117.800 117.286 0.514 1
1 973 . 6 1 1 A 87 87 GLY H H 87 7.790 7.894 -0.104 1
1 974 . 6 1 1 A 87 87 GLY HA2 H 87 3.870 3.922 -0.052 1
1 975 . 6 1 1 A 87 87 GLY HA3 H 87 4.080 3.926 0.154 1
1 976 . 6 1 1 A 87 87 GLY CA C 87 46.100 45.995 0.105 1
1 977 . 6 1 1 A 87 87 GLY N N 87 109.100 108.763 0.337 1
1 978 . 6 1 1 A 88 88 ASP H H 88 8.210 8.455 -0.245 1
1 979 . 6 1 1 A 88 88 ASP HA H 88 4.830 4.870 -0.040 1
1 982 . 6 1 1 A 88 88 ASP CA C 88 52.100 52.703 -0.603 1
1 983 . 6 1 1 A 88 88 ASP CB C 88 39.000 38.792 0.208 1
1 984 . 6 1 1 A 88 88 ASP N N 88 120.200 120.787 -0.587 1
1 985 . 6 1 1 A 89 89 GLN H H 89 8.110 8.196 -0.086 1
1 986 . 6 1 1 A 89 89 GLN HA H 89 3.840 4.028 -0.188 1
1 993 . 6 1 1 A 89 89 GLN CA C 89 58.500 59.018 -0.518 1
1 994 . 6 1 1 A 89 89 GLN CB C 89 28.000 28.645 -0.645 1
1 996 . 6 1 1 A 89 89 GLN N N 89 122.400 122.814 -0.414 1
1 998 . 6 1 1 A 90 90 GLN H H 90 8.720 7.796 0.924 1
1 999 . 6 1 1 A 90 90 GLN HA H 90 4.000 4.088 -0.088 1
1 1006 . 6 1 1 A 90 90 GLN CA C 90 58.800 58.626 0.174 1
1 1007 . 6 1 1 A 90 90 GLN CB C 90 27.800 28.462 -0.662 1
1 1009 . 6 1 1 A 90 90 GLN N N 90 119.100 119.784 -0.684 1
1 1011 . 6 1 1 A 91 91 VAL H H 91 7.170 7.913 -0.743 1
1 1012 . 6 1 1 A 91 91 VAL HA H 91 3.660 3.638 0.022 1
1 1020 . 6 1 1 A 91 91 VAL CA C 91 65.500 66.338 -0.838 1
1 1021 . 6 1 1 A 91 91 VAL CB C 91 31.300 31.553 -0.253 1
1 1024 . 6 1 1 A 91 91 VAL N N 91 119.900 119.427 0.473 1
1 1025 . 6 1 1 A 92 92 VAL H H 92 7.880 8.078 -0.198 1
1 1026 . 6 1 1 A 92 92 VAL HA H 92 3.240 3.549 -0.309 1
1 1034 . 6 1 1 A 92 92 VAL CA C 92 67.300 67.020 0.280 1
1 1035 . 6 1 1 A 92 92 VAL CB C 92 31.500 31.596 -0.096 1
1 1038 . 6 1 1 A 92 92 VAL N N 92 119.900 120.451 -0.551 1
1 1039 . 6 1 1 A 93 93 LYS H H 93 7.480 7.902 -0.422 1
1 1040 . 6 1 1 A 93 93 LYS HA H 93 3.920 3.883 0.037 1
1 1049 . 6 1 1 A 93 93 LYS CA C 93 59.300 60.039 -0.739 1
1 1050 . 6 1 1 A 93 93 LYS CB C 93 31.900 31.990 -0.090 1
1 1054 . 6 1 1 A 93 93 LYS N N 93 116.000 118.683 -2.683 1
1 1055 . 6 1 1 A 94 94 GLU H H 94 7.480 8.334 -0.854 1
1 1056 . 6 1 1 A 94 94 GLU HA H 94 3.580 3.912 -0.332 1
1 1061 . 6 1 1 A 94 94 GLU CA C 94 58.600 58.966 -0.366 1
1 1062 . 6 1 1 A 94 94 GLU CB C 94 29.500 29.303 0.197 1
1 1064 . 6 1 1 A 94 94 GLU N N 94 117.500 120.313 -2.813 1
1 1065 . 6 1 1 A 95 95 LEU H H 95 8.370 8.399 -0.029 1
1 1066 . 6 1 1 A 95 95 LEU HA H 95 3.530 3.882 -0.352 1
1 1076 . 6 1 1 A 95 95 LEU CA C 95 57.600 58.025 -0.425 1
1 1077 . 6 1 1 A 95 95 LEU CB C 95 40.900 41.187 -0.287 1
1 1081 . 6 1 1 A 95 95 LEU N N 95 117.500 120.047 -2.547 1
1 1082 . 6 1 1 A 96 96 GLN H H 96 8.330 7.852 0.478 1
1 1083 . 6 1 1 A 96 96 GLN HA H 96 3.980 4.004 -0.024 1
1 1090 . 6 1 1 A 96 96 GLN CA C 96 58.900 58.530 0.370 1
1 1091 . 6 1 1 A 96 96 GLN CB C 96 28.100 28.386 -0.286 1
1 1093 . 6 1 1 A 96 96 GLN N N 96 117.600 117.364 0.236 1
1 1095 . 6 1 1 A 97 97 VAL H H 97 7.450 7.691 -0.241 1
1 1096 . 6 1 1 A 97 97 VAL HA H 97 3.450 3.430 0.020 1
1 1104 . 6 1 1 A 97 97 VAL CA C 97 66.700 66.331 0.369 1
1 1105 . 6 1 1 A 97 97 VAL CB C 97 31.000 31.433 -0.433 1
1 1108 . 6 1 1 A 97 97 VAL N N 97 120.300 120.761 -0.461 1
1 1109 . 6 1 1 A 98 98 PHE H H 98 7.460 6.944 0.516 1
1 1110 . 6 1 1 A 98 98 PHE HA H 98 3.980 3.949 0.031 1
1 1118 . 6 1 1 A 98 98 PHE CA C 98 58.700 60.627 -1.927 1
1 1119 . 6 1 1 A 98 98 PHE CB C 98 35.500 37.611 -2.111 1
1 1123 . 6 1 1 A 98 98 PHE N N 98 119.100 117.880 1.220 1
1 1124 . 6 1 1 A 99 99 LEU H H 99 8.330 7.869 0.461 1
1 1125 . 6 1 1 A 99 99 LEU HA H 99 4.090 4.123 -0.033 1
1 1135 . 6 1 1 A 99 99 LEU CA C 99 57.800 57.921 -0.121 1
1 1136 . 6 1 1 A 99 99 LEU CB C 99 41.800 41.474 0.326 1
1 1140 . 6 1 1 A 99 99 LEU N N 99 119.300 120.686 -1.386 1
1 1141 . 6 1 1 A 100 100 ARG H H 100 8.350 7.815 0.535 1
1 1142 . 6 1 1 A 100 100 ARG HA H 100 4.110 4.044 0.066 1
1 1149 . 6 1 1 A 100 100 ARG CA C 100 59.300 59.539 -0.239 1
1 1150 . 6 1 1 A 100 100 ARG CB C 100 29.900 30.210 -0.310 1
1 1153 . 6 1 1 A 100 100 ARG N N 100 121.900 119.177 2.723 1
1 1154 . 6 1 1 A 101 101 ARG H H 101 8.110 7.809 0.301 1
1 1155 . 6 1 1 A 101 101 ARG HA H 101 4.020 4.109 -0.089 1
1 1162 . 6 1 1 A 101 101 ARG CA C 101 57.600 59.126 -1.526 1
1 1163 . 6 1 1 A 101 101 ARG CB C 101 30.200 29.839 0.361 1
1 1166 . 6 1 1 A 101 101 ARG N N 101 120.500 119.562 0.938 1
1 1167 . 6 1 1 A 102 102 LEU H H 102 7.890 8.041 -0.151 1
1 1168 . 6 1 1 A 102 102 LEU HA H 102 4.150 4.201 -0.051 1
1 1178 . 6 1 1 A 102 102 LEU CA C 102 57.600 57.826 -0.226 1
1 1179 . 6 1 1 A 102 102 LEU CB C 102 42.300 41.432 0.868 1
1 1183 . 6 1 1 A 102 102 LEU N N 102 119.900 121.288 -1.388 1
1 1184 . 6 1 1 A 103 103 ALA H H 103 7.880 8.232 -0.352 1
1 1185 . 6 1 1 A 103 103 ALA HA H 103 4.170 3.973 0.197 1
1 1189 . 6 1 1 A 103 103 ALA CA C 103 54.700 55.121 -0.421 1
1 1190 . 6 1 1 A 103 103 ALA CB C 103 17.800 18.347 -0.547 1
1 1191 . 6 1 1 A 103 103 ALA N N 103 120.000 120.824 -0.824 1
1 1192 . 6 1 1 A 104 104 ARG H H 104 8.060 7.769 0.291 1
1 1193 . 6 1 1 A 104 104 ARG HA H 104 4.130 4.073 0.057 1
1 1200 . 6 1 1 A 104 104 ARG CA C 104 58.500 59.845 -1.345 1
1 1201 . 6 1 1 A 104 104 ARG CB C 104 29.800 30.162 -0.362 1
1 1204 . 6 1 1 A 104 104 ARG N N 104 119.800 117.676 2.124 1
1 1205 . 6 1 1 A 105 105 GLU H H 105 8.050 8.183 -0.133 1
1 1206 . 6 1 1 A 105 105 GLU HA H 105 4.020 4.197 -0.177 1
1 1211 . 6 1 1 A 105 105 GLU CA C 105 58.500 59.713 -1.213 1
1 1212 . 6 1 1 A 105 105 GLU CB C 105 28.900 29.302 -0.402 1
1 1214 . 6 1 1 A 105 105 GLU N N 105 119.700 119.780 -0.080 1
1 1215 . 6 1 1 A 106 106 ASP H H 106 8.360 8.146 0.214 1
1 1216 . 6 1 1 A 106 106 ASP HA H 106 4.380 4.398 -0.018 1
1 1219 . 6 1 1 A 106 106 ASP CA C 106 56.500 57.349 -0.849 1
1 1220 . 6 1 1 A 106 106 ASP CB C 106 40.500 41.016 -0.516 1
1 1221 . 6 1 1 A 106 106 ASP N N 106 119.800 120.094 -0.294 1
1 1222 . 6 1 1 A 107 107 ALA H H 107 7.910 8.558 -0.648 1
1 1223 . 6 1 1 A 107 107 ALA HA H 107 4.150 4.157 -0.007 1
1 1227 . 6 1 1 A 107 107 ALA CA C 107 54.200 55.135 -0.935 1
1 1228 . 6 1 1 A 107 107 ALA CB C 107 18.100 18.260 -0.160 1
1 1229 . 6 1 1 A 107 107 ALA N N 107 121.900 121.653 0.247 1
1 1230 . 6 1 1 A 108 108 LEU H H 108 7.840 7.397 0.443 1
1 1231 . 6 1 1 A 108 108 LEU HA H 108 4.120 4.297 -0.177 1
1 1241 . 6 1 1 A 108 108 LEU CA C 108 56.400 55.104 1.296 1
1 1242 . 6 1 1 A 108 108 LEU CB C 108 42.000 42.240 -0.240 1
1 1246 . 6 1 1 A 108 108 LEU N N 108 119.000 116.604 2.396 1
1 1247 . 6 1 1 A 109 109 GLU H H 109 7.860 8.076 -0.216 1
1 1248 . 6 1 1 A 109 109 GLU HA H 109 4.090 4.087 0.003 1
1 1253 . 6 1 1 A 109 109 GLU CA C 109 57.000 58.017 -1.017 1
1 1254 . 6 1 1 A 109 109 GLU CB C 109 29.100 27.593 1.507 1
1 1256 . 6 1 1 A 109 109 GLU N N 109 118.600 116.187 2.413 1
1 1257 . 6 1 1 A 110 110 HIS H H 110 8.140 8.761 -0.621 1
1 1258 . 6 1 1 A 110 110 HIS HA H 110 4.560 4.308 0.252 1
1 1261 . 6 1 1 A 110 110 HIS CA C 110 55.600 56.929 -1.329 1
1 1262 . 6 1 1 A 110 110 HIS CB C 110 28.300 28.899 -0.599 1
1 1263 . 6 1 1 A 110 110 HIS N N 110 117.000 116.071 0.929 1
1 1264 . 6 1 1 A 111 111 HIS H H 111 8.340 7.987 0.353 1
1 1265 . 6 1 1 A 111 111 HIS HA H 111 4.600 4.530 0.070 1
1 1268 . 6 1 1 A 111 111 HIS CA C 111 55.500 54.520 0.980 1
1 1269 . 6 1 1 A 111 111 HIS CB C 111 28.500 27.874 0.626 1
1 1270 . 6 1 1 A 111 111 HIS N N 111 117.800 118.252 -0.452 1
1 1271 . 6 1 1 A 112 112 HIS H H 112 8.530 7.910 0.620 1
1 1272 . 6 1 1 A 112 112 HIS HA H 112 4.620 4.309 0.311 1
1 1275 . 6 1 1 A 112 112 HIS CA C 112 55.300 57.429 -2.129 1
1 1276 . 6 1 1 A 112 112 HIS CB C 112 28.800 30.419 -1.619 1
1 1277 . 6 1 1 A 112 112 HIS N N 112 119.000 122.090 -3.090 1
1 1278 . 6 1 1 A 113 113 HIS H H 113 8.660 7.744 0.916 1
1 1279 . 6 1 1 A 113 113 HIS HA H 113 4.640 4.878 -0.238 1
1 1282 . 6 1 1 A 113 113 HIS CA C 113 55.200 54.846 0.354 1
1 1283 . 6 1 1 A 113 113 HIS CB C 113 28.900 30.511 -1.611 1
1 1284 . 6 1 1 A 113 113 HIS N N 113 120.000 119.528 0.472 1
1 1285 . 6 1 1 A 114 114 HIS H H 114 8.630 8.761 -0.131 1
1 1286 . 6 1 1 A 114 114 HIS HA H 114 4.610 4.451 0.159 1
1 1289 . 6 1 1 A 114 114 HIS CA C 114 55.200 57.393 -2.193 1
1 1290 . 6 1 1 A 114 114 HIS CB C 114 28.900 31.462 -2.562 1
1 1291 . 6 1 1 A 114 114 HIS N N 114 120.800 126.548 -5.748 1
1 9 . 7 1 1 A 2 2 GLN H H 2 8.840 8.675 0.165 1
1 10 . 7 1 1 A 2 2 GLN HA H 2 4.310 4.608 -0.298 1
1 17 . 7 1 1 A 2 2 GLN CA C 2 55.600 55.102 0.498 1
1 18 . 7 1 1 A 2 2 GLN CB C 2 29.900 30.211 -0.311 1
1 20 . 7 1 1 A 2 2 GLN N N 2 124.000 122.896 1.104 1
1 22 . 7 1 1 A 3 3 ALA H H 3 8.780 8.523 0.257 1
1 23 . 7 1 1 A 3 3 ALA HA H 3 4.240 4.052 0.188 1
1 27 . 7 1 1 A 3 3 ALA CA C 3 52.600 54.291 -1.691 1
1 28 . 7 1 1 A 3 3 ALA CB C 3 18.800 18.177 0.623 1
1 29 . 7 1 1 A 3 3 ALA N N 3 127.500 122.063 5.437 1
1 30 . 7 1 1 A 4 4 ILE H H 4 8.490 8.657 -0.167 1
1 31 . 7 1 1 A 4 4 ILE HA H 4 3.820 3.726 0.094 1
1 41 . 7 1 1 A 4 4 ILE CA C 4 63.700 64.154 -0.454 1
1 42 . 7 1 1 A 4 4 ILE CB C 4 37.800 37.111 0.689 1
1 46 . 7 1 1 A 4 4 ILE N N 4 120.900 121.393 -0.493 1
1 47 . 7 1 1 A 5 5 THR H H 5 7.730 8.091 -0.361 1
1 48 . 7 1 1 A 5 5 THR HA H 5 3.540 3.643 -0.103 1
1 53 . 7 1 1 A 5 5 THR CA C 5 64.700 66.691 -1.991 1
1 54 . 7 1 1 A 5 5 THR CB C 5 66.700 68.348 -1.648 1
1 56 . 7 1 1 A 5 5 THR N N 5 110.700 117.982 -7.282 1
1 57 . 7 1 1 A 6 6 GLU H H 6 7.220 8.459 -1.239 1
1 58 . 7 1 1 A 6 6 GLU HA H 6 3.940 3.889 0.051 1
1 63 . 7 1 1 A 6 6 GLU CA C 6 59.200 59.576 -0.376 1
1 64 . 7 1 1 A 6 6 GLU CB C 6 28.900 29.547 -0.647 1
1 66 . 7 1 1 A 6 6 GLU N N 6 120.400 119.030 1.370 1
1 67 . 7 1 1 A 7 7 ARG H H 7 7.930 8.049 -0.119 1
1 68 . 7 1 1 A 7 7 ARG HA H 7 3.950 4.082 -0.132 1
1 75 . 7 1 1 A 7 7 ARG CA C 7 59.100 58.856 0.244 1
1 76 . 7 1 1 A 7 7 ARG CB C 7 30.100 29.663 0.437 1
1 79 . 7 1 1 A 7 7 ARG N N 7 119.900 119.032 0.868 1
1 80 . 7 1 1 A 8 8 LEU H H 8 8.130 8.163 -0.033 1
1 81 . 7 1 1 A 8 8 LEU HA H 8 4.150 3.980 0.170 1
1 91 . 7 1 1 A 8 8 LEU CA C 8 57.800 57.956 -0.156 1
1 92 . 7 1 1 A 8 8 LEU CB C 8 41.000 41.176 -0.176 1
1 96 . 7 1 1 A 8 8 LEU N N 8 119.600 120.874 -1.274 1
1 97 . 7 1 1 A 9 9 GLU H H 9 8.530 8.292 0.238 1
1 98 . 7 1 1 A 9 9 GLU HA H 9 4.150 4.026 0.124 1
1 103 . 7 1 1 A 9 9 GLU CA C 9 59.100 59.504 -0.404 1
1 104 . 7 1 1 A 9 9 GLU CB C 9 28.300 29.049 -0.749 1
1 106 . 7 1 1 A 9 9 GLU N N 9 118.200 119.327 -1.127 1
1 107 . 7 1 1 A 10 10 ALA H H 10 7.800 8.014 -0.214 1
1 108 . 7 1 1 A 10 10 ALA HA H 10 4.230 4.065 0.165 1
1 112 . 7 1 1 A 10 10 ALA CA C 10 55.000 54.887 0.113 1
1 113 . 7 1 1 A 10 10 ALA CB C 10 17.200 18.289 -1.089 1
1 114 . 7 1 1 A 10 10 ALA N N 10 122.900 122.240 0.660 1
1 115 . 7 1 1 A 11 11 MET H H 11 7.700 7.853 -0.153 1
1 116 . 7 1 1 A 11 11 MET HA H 11 4.040 4.357 -0.317 1
1 124 . 7 1 1 A 11 11 MET CA C 11 58.900 57.685 1.215 1
1 125 . 7 1 1 A 11 11 MET CB C 11 31.800 31.429 0.371 1
1 128 . 7 1 1 A 11 11 MET N N 11 118.800 116.673 2.127 1
1 129 . 7 1 1 A 12 12 LEU H H 12 8.070 7.738 0.332 1
1 130 . 7 1 1 A 12 12 LEU HA H 12 4.870 4.082 0.788 1
1 140 . 7 1 1 A 12 12 LEU CA C 12 56.900 57.320 -0.420 1
1 141 . 7 1 1 A 12 12 LEU CB C 12 41.900 40.914 0.986 1
1 145 . 7 1 1 A 12 12 LEU N N 12 122.500 121.205 1.295 1
1 146 . 7 1 1 A 13 13 ALA H H 13 8.150 7.762 0.388 1
1 147 . 7 1 1 A 13 13 ALA HA H 13 4.130 4.111 0.019 1
1 151 . 7 1 1 A 13 13 ALA CA C 13 54.100 54.366 -0.266 1
1 152 . 7 1 1 A 13 13 ALA CB C 13 17.700 18.204 -0.504 1
1 153 . 7 1 1 A 13 13 ALA N N 13 122.300 122.075 0.225 1
1 154 . 7 1 1 A 14 14 GLN H H 14 7.560 7.510 0.050 1
1 155 . 7 1 1 A 14 14 GLN HA H 14 4.340 4.396 -0.056 1
1 162 . 7 1 1 A 14 14 GLN CA C 14 55.500 55.707 -0.207 1
1 163 . 7 1 1 A 14 14 GLN CB C 14 28.700 29.424 -0.724 1
1 165 . 7 1 1 A 14 14 GLN N N 14 115.100 115.956 -0.856 1
1 167 . 7 1 1 A 15 15 GLY H H 15 7.870 8.511 -0.641 1
1 168 . 7 1 1 A 15 15 GLY HA2 H 15 3.720 3.951 -0.231 1
1 169 . 7 1 1 A 15 15 GLY HA3 H 15 4.430 3.954 0.476 1
1 170 . 7 1 1 A 15 15 GLY CA C 15 45.100 46.625 -1.525 1
1 171 . 7 1 1 A 15 15 GLY N N 15 106.800 109.417 -2.617 1
1 172 . 7 1 1 A 16 16 THR H H 16 7.980 7.443 0.537 1
1 173 . 7 1 1 A 16 16 THR HA H 16 4.190 4.684 -0.494 1
1 178 . 7 1 1 A 16 16 THR CA C 16 62.600 61.741 0.859 1
1 179 . 7 1 1 A 16 16 THR CB C 16 68.800 70.822 -2.022 1
1 181 . 7 1 1 A 16 16 THR N N 16 120.800 114.216 6.584 1
1 182 . 7 1 1 A 17 17 ASP H H 17 8.110 9.042 -0.932 1
1 183 . 7 1 1 A 17 17 ASP HA H 17 4.830 5.618 -0.788 1
1 186 . 7 1 1 A 17 17 ASP CA C 17 53.300 51.903 1.397 1
1 187 . 7 1 1 A 17 17 ASP CB C 17 42.700 44.982 -2.282 1
1 188 . 7 1 1 A 17 17 ASP N N 17 122.800 124.616 -1.816 1
1 189 . 7 1 1 A 18 18 ASN HA H 18 3.460 4.961 -1.501 1
1 194 . 7 1 1 A 18 18 ASN CA C 18 52.200 51.272 0.928 1
1 195 . 7 1 1 A 18 18 ASN CB C 18 39.600 41.535 -1.935 1
1 197 . 7 1 1 A 19 19 MET H H 19 8.260 8.338 -0.078 1
1 198 . 7 1 1 A 19 19 MET HA H 19 3.650 4.016 -0.366 1
1 206 . 7 1 1 A 19 19 MET CA C 19 61.100 58.277 2.823 1
1 207 . 7 1 1 A 19 19 MET CB C 19 32.900 31.846 1.054 1
1 210 . 7 1 1 A 19 19 MET N N 19 119.100 121.678 -2.578 1
1 211 . 7 1 1 A 20 20 LEU H H 20 8.350 8.060 0.290 1
1 212 . 7 1 1 A 20 20 LEU HA H 20 4.220 3.990 0.230 1
1 222 . 7 1 1 A 20 20 LEU CA C 20 57.500 58.119 -0.619 1
1 223 . 7 1 1 A 20 20 LEU CB C 20 41.200 41.407 -0.207 1
1 227 . 7 1 1 A 20 20 LEU N N 20 120.400 121.252 -0.852 1
1 228 . 7 1 1 A 21 21 LEU H H 21 8.520 8.148 0.372 1
1 229 . 7 1 1 A 21 21 LEU HA H 21 3.910 3.864 0.046 1
1 239 . 7 1 1 A 21 21 LEU CA C 21 59.200 58.156 1.044 1
1 240 . 7 1 1 A 21 21 LEU CB C 21 42.400 41.197 1.203 1
1 244 . 7 1 1 A 21 21 LEU N N 21 125.500 118.389 7.111 1
1 245 . 7 1 1 A 22 22 ARG H H 22 7.830 8.102 -0.272 1
1 246 . 7 1 1 A 22 22 ARG HA H 22 4.230 4.037 0.193 1
1 253 . 7 1 1 A 22 22 ARG CA C 22 57.300 59.724 -2.424 1
1 254 . 7 1 1 A 22 22 ARG CB C 22 28.800 29.834 -1.034 1
1 257 . 7 1 1 A 22 22 ARG N N 22 117.200 118.822 -1.622 1
1 258 . 7 1 1 A 23 23 PHE H H 23 9.380 8.185 1.195 1
1 259 . 7 1 1 A 23 23 PHE HA H 23 3.950 4.100 -0.150 1
1 267 . 7 1 1 A 23 23 PHE CA C 23 61.500 61.068 0.432 1
1 268 . 7 1 1 A 23 23 PHE CB C 23 40.200 39.120 1.080 1
1 272 . 7 1 1 A 23 23 PHE N N 23 118.500 121.217 -2.717 1
1 273 . 7 1 1 A 24 24 THR H H 24 8.600 8.348 0.252 1
1 274 . 7 1 1 A 24 24 THR HA H 24 4.030 3.825 0.205 1
1 279 . 7 1 1 A 24 24 THR CA C 24 68.000 67.132 0.868 1
1 280 . 7 1 1 A 24 24 THR CB C 24 67.400 67.705 -0.305 1
1 282 . 7 1 1 A 24 24 THR N N 24 115.400 115.038 0.362 1
1 283 . 7 1 1 A 25 25 LEU H H 25 8.200 8.159 0.041 1
1 284 . 7 1 1 A 25 25 LEU HA H 25 3.390 3.636 -0.246 1
1 294 . 7 1 1 A 25 25 LEU CA C 25 58.200 58.054 0.146 1
1 295 . 7 1 1 A 25 25 LEU CB C 25 42.200 41.626 0.574 1
1 299 . 7 1 1 A 25 25 LEU N N 25 124.500 120.661 3.839 1
1 300 . 7 1 1 A 26 26 GLY H H 26 8.520 7.905 0.615 1
1 301 . 7 1 1 A 26 26 GLY HA2 H 26 3.910 3.672 0.238 1
1 302 . 7 1 1 A 26 26 GLY HA3 H 26 3.570 3.797 -0.227 1
1 303 . 7 1 1 A 26 26 GLY CA C 26 48.400 47.204 1.196 1
1 304 . 7 1 1 A 26 26 GLY N N 26 104.600 105.232 -0.632 1
1 305 . 7 1 1 A 27 27 LYS H H 27 8.730 8.114 0.616 1
1 306 . 7 1 1 A 27 27 LYS HA H 27 2.970 3.559 -0.589 1
1 315 . 7 1 1 A 27 27 LYS CA C 27 59.100 58.244 0.856 1
1 316 . 7 1 1 A 27 27 LYS CB C 27 31.400 31.513 -0.113 1
1 320 . 7 1 1 A 27 27 LYS N N 27 121.200 121.465 -0.265 1
1 321 . 7 1 1 A 28 28 THR H H 28 7.420 7.661 -0.241 1
1 322 . 7 1 1 A 28 28 THR HA H 28 3.680 3.605 0.075 1
1 327 . 7 1 1 A 28 28 THR CA C 28 67.100 66.362 0.738 1
1 328 . 7 1 1 A 28 28 THR CB C 28 67.700 67.966 -0.266 1
1 330 . 7 1 1 A 28 28 THR N N 28 114.500 116.410 -1.910 1
1 331 . 7 1 1 A 29 29 TYR H H 29 8.220 7.494 0.726 1
1 332 . 7 1 1 A 29 29 TYR HA H 29 4.380 4.193 0.187 1
1 339 . 7 1 1 A 29 29 TYR CA C 29 61.400 60.577 0.823 1
1 340 . 7 1 1 A 29 29 TYR CB C 29 37.100 37.262 -0.162 1
1 343 . 7 1 1 A 29 29 TYR N N 29 120.400 120.558 -0.158 1
1 344 . 7 1 1 A 30 30 ALA H H 30 8.500 8.267 0.233 1
1 345 . 7 1 1 A 30 30 ALA HA H 30 3.770 3.779 -0.009 1
1 349 . 7 1 1 A 30 30 ALA CA C 30 56.000 54.966 1.034 1
1 350 . 7 1 1 A 30 30 ALA CB C 30 18.200 18.314 -0.114 1
1 351 . 7 1 1 A 30 30 ALA N N 30 123.300 123.199 0.101 1
1 352 . 7 1 1 A 31 31 GLU H H 31 8.940 7.801 1.139 1
1 353 . 7 1 1 A 31 31 GLU HA H 31 4.180 4.227 -0.047 1
1 358 . 7 1 1 A 31 31 GLU CA C 31 58.600 58.373 0.227 1
1 359 . 7 1 1 A 31 31 GLU CB C 31 28.700 29.450 -0.750 1
1 361 . 7 1 1 A 31 31 GLU N N 31 120.700 118.903 1.797 1
1 362 . 7 1 1 A 32 32 HIS H H 32 7.340 7.318 0.022 1
1 363 . 7 1 1 A 32 32 HIS HA H 32 4.740 4.571 0.169 1
1 368 . 7 1 1 A 32 32 HIS CA C 32 54.800 55.480 -0.680 1
1 369 . 7 1 1 A 32 32 HIS CB C 32 28.200 29.938 -1.738 1
1 372 . 7 1 1 A 32 32 HIS N N 32 115.300 115.886 -0.586 1
1 373 . 7 1 1 A 33 33 GLU H H 33 7.830 7.941 -0.111 1
1 374 . 7 1 1 A 33 33 GLU HA H 33 2.500 3.276 -0.776 1
1 379 . 7 1 1 A 33 33 GLU CA C 33 56.800 57.553 -0.753 1
1 380 . 7 1 1 A 33 33 GLU CB C 33 25.000 29.282 -4.282 1
1 382 . 7 1 1 A 33 33 GLU N N 33 112.200 118.297 -6.097 1
1 383 . 7 1 1 A 34 34 GLN H H 34 8.030 8.110 -0.080 1
1 384 . 7 1 1 A 34 34 GLN HA H 34 4.460 4.445 0.015 1
1 391 . 7 1 1 A 34 34 GLN CA C 34 53.200 53.832 -0.632 1
1 392 . 7 1 1 A 34 34 GLN CB C 34 26.500 27.858 -1.358 1
1 394 . 7 1 1 A 34 34 GLN N N 34 121.000 118.859 2.141 1
1 396 . 7 1 1 A 35 35 PHE H H 35 7.050 7.911 -0.861 1
1 397 . 7 1 1 A 35 35 PHE HA H 35 4.180 4.143 0.037 1
1 405 . 7 1 1 A 35 35 PHE CA C 35 60.700 60.861 -0.161 1
1 406 . 7 1 1 A 35 35 PHE CB C 35 38.200 38.920 -0.720 1
1 410 . 7 1 1 A 35 35 PHE N N 35 118.600 123.521 -4.921 1
1 411 . 7 1 1 A 36 36 ASP H H 36 8.410 8.410 0.000 1
1 412 . 7 1 1 A 36 36 ASP HA H 36 4.200 4.371 -0.171 1
1 415 . 7 1 1 A 36 36 ASP CA C 36 56.700 57.785 -1.085 1
1 416 . 7 1 1 A 36 36 ASP CB C 36 38.800 42.026 -3.226 1
1 417 . 7 1 1 A 36 36 ASP N N 36 117.000 120.122 -3.122 1
1 418 . 7 1 1 A 37 37 ALA H H 37 7.540 7.930 -0.390 1
1 419 . 7 1 1 A 37 37 ALA HA H 37 3.860 4.021 -0.161 1
1 423 . 7 1 1 A 37 37 ALA CA C 37 52.900 54.606 -1.706 1
1 424 . 7 1 1 A 37 37 ALA CB C 37 16.300 17.762 -1.462 1
1 425 . 7 1 1 A 37 37 ALA N N 37 120.900 121.004 -0.104 1
1 426 . 7 1 1 A 38 38 ALA H H 38 7.700 7.562 0.138 1
1 427 . 7 1 1 A 38 38 ALA HA H 38 4.210 4.286 -0.076 1
1 431 . 7 1 1 A 38 38 ALA CA C 38 55.100 55.224 -0.124 1
1 432 . 7 1 1 A 38 38 ALA CB C 38 20.500 18.179 2.321 1
1 433 . 7 1 1 A 38 38 ALA N N 38 117.600 120.271 -2.671 1
1 434 . 7 1 1 A 39 39 LEU H H 39 7.430 7.849 -0.419 1
1 435 . 7 1 1 A 39 39 LEU HA H 39 4.050 4.003 0.047 1
1 445 . 7 1 1 A 39 39 LEU CA C 39 60.500 60.114 0.386 1
1 446 . 7 1 1 A 39 39 LEU CB C 39 39.200 40.221 -1.021 1
1 450 . 7 1 1 A 39 39 LEU N N 39 114.900 118.595 -3.695 1
1 451 . 7 1 1 A 40 40 PRO HA H 40 4.180 4.296 -0.116 1
1 458 . 7 1 1 A 40 40 PRO CA C 40 65.100 65.804 -0.704 1
1 459 . 7 1 1 A 40 40 PRO CB C 40 30.600 30.646 -0.046 1
1 462 . 7 1 1 A 41 41 HIS H H 41 6.570 7.539 -0.969 1
1 463 . 7 1 1 A 41 41 HIS HA H 41 4.740 4.226 0.514 1
1 468 . 7 1 1 A 41 41 HIS CA C 41 58.800 59.581 -0.781 1
1 469 . 7 1 1 A 41 41 HIS CB C 41 30.800 30.067 0.733 1
1 472 . 7 1 1 A 41 41 HIS N N 41 116.500 116.291 0.209 1
1 473 . 7 1 1 A 42 42 LEU H H 42 8.140 8.625 -0.485 1
1 474 . 7 1 1 A 42 42 LEU HA H 42 4.120 3.950 0.170 1
1 484 . 7 1 1 A 42 42 LEU CA C 42 57.800 58.177 -0.377 1
1 485 . 7 1 1 A 42 42 LEU CB C 42 42.100 41.231 0.869 1
1 489 . 7 1 1 A 42 42 LEU N N 42 119.900 119.799 0.101 1
1 490 . 7 1 1 A 43 43 ARG H H 43 8.300 8.331 -0.031 1
1 491 . 7 1 1 A 43 43 ARG HA H 43 3.740 4.229 -0.489 1
1 498 . 7 1 1 A 43 43 ARG CA C 43 59.700 58.691 1.009 1
1 499 . 7 1 1 A 43 43 ARG CB C 43 28.300 29.542 -1.242 1
1 502 . 7 1 1 A 43 43 ARG N N 43 116.400 119.210 -2.810 1
1 503 . 7 1 1 A 44 44 ALA H H 44 7.850 7.827 0.023 1
1 504 . 7 1 1 A 44 44 ALA HA H 44 4.060 4.071 -0.011 1
1 508 . 7 1 1 A 44 44 ALA CA C 44 54.600 55.079 -0.479 1
1 509 . 7 1 1 A 44 44 ALA CB C 44 17.000 18.171 -1.171 1
1 510 . 7 1 1 A 44 44 ALA N N 44 121.000 122.031 -1.031 1
1 511 . 7 1 1 A 45 45 ALA H H 45 8.440 7.676 0.764 1
1 512 . 7 1 1 A 45 45 ALA HA H 45 4.270 4.335 -0.065 1
1 516 . 7 1 1 A 45 45 ALA CA C 45 56.200 55.151 1.049 1
1 517 . 7 1 1 A 45 45 ALA CB C 45 17.000 18.445 -1.445 1
1 518 . 7 1 1 A 45 45 ALA N N 45 121.200 121.018 0.182 1
1 519 . 7 1 1 A 46 46 LEU H H 46 7.310 8.202 -0.892 1
1 520 . 7 1 1 A 46 46 LEU HA H 46 4.010 4.066 -0.056 1
1 530 . 7 1 1 A 46 46 LEU CA C 46 55.900 57.813 -1.913 1
1 531 . 7 1 1 A 46 46 LEU CB C 46 42.200 41.173 1.027 1
1 535 . 7 1 1 A 46 46 LEU N N 46 116.800 118.753 -1.953 1
1 536 . 7 1 1 A 47 47 ASP H H 47 7.590 8.149 -0.559 1
1 537 . 7 1 1 A 47 47 ASP HA H 47 4.440 4.292 0.148 1
1 540 . 7 1 1 A 47 47 ASP CA C 47 55.500 57.136 -1.636 1
1 541 . 7 1 1 A 47 47 ASP CB C 47 39.200 41.048 -1.848 1
1 542 . 7 1 1 A 47 47 ASP N N 47 118.900 119.761 -0.861 1
1 543 . 7 1 1 A 48 48 PHE H H 48 7.490 7.706 -0.216 1
1 544 . 7 1 1 A 48 48 PHE HA H 48 4.450 4.334 0.116 1
1 552 . 7 1 1 A 48 48 PHE CA C 48 61.200 59.738 1.462 1
1 553 . 7 1 1 A 48 48 PHE CB C 48 39.600 39.693 -0.093 1
1 557 . 7 1 1 A 48 48 PHE N N 48 117.200 116.573 0.627 1
1 558 . 7 1 1 A 49 49 ASP H H 49 7.790 7.694 0.096 1
1 559 . 7 1 1 A 49 49 ASP HA H 49 4.980 5.059 -0.079 1
1 562 . 7 1 1 A 49 49 ASP CA C 49 51.000 51.640 -0.640 1
1 563 . 7 1 1 A 49 49 ASP CB C 49 41.800 41.480 0.320 1
1 564 . 7 1 1 A 49 49 ASP N N 49 113.500 117.529 -4.029 1
1 565 . 7 1 1 A 50 50 PRO HA H 50 4.780 4.650 0.130 1
1 572 . 7 1 1 A 50 50 PRO CA C 50 64.000 64.210 -0.210 1
1 573 . 7 1 1 A 50 50 PRO CB C 50 32.000 31.911 0.089 1
1 576 . 7 1 1 A 51 51 THR H H 51 8.640 8.150 0.490 1
1 577 . 7 1 1 A 51 51 THR HA H 51 4.620 5.046 -0.426 1
1 582 . 7 1 1 A 51 51 THR CA C 51 60.900 62.748 -1.848 1
1 583 . 7 1 1 A 51 51 THR CB C 51 68.600 69.333 -0.733 1
1 585 . 7 1 1 A 51 51 THR N N 51 111.900 111.271 0.629 1
1 586 . 7 1 1 A 52 52 TYR H H 52 7.350 7.343 0.007 1
1 587 . 7 1 1 A 52 52 TYR HA H 52 4.820 4.516 0.304 1
1 594 . 7 1 1 A 52 52 TYR CA C 52 56.100 55.896 0.204 1
1 595 . 7 1 1 A 52 52 TYR CB C 52 35.900 37.300 -1.400 1
1 598 . 7 1 1 A 52 52 TYR N N 52 122.600 123.998 -1.398 1
1 599 . 7 1 1 A 53 53 SER H H 53 8.480 7.583 0.897 1
1 600 . 7 1 1 A 53 53 SER HA H 53 4.170 1.672 2.498 1
1 603 . 7 1 1 A 53 53 SER CA C 53 62.900 61.475 1.425 1
1 604 . 7 1 1 A 53 53 SER CB C 53 62.900 62.598 0.302 1
1 605 . 7 1 1 A 53 53 SER N N 53 127.100 122.066 5.034 1
1 606 . 7 1 1 A 54 54 VAL H H 54 7.860 7.464 0.396 1
1 607 . 7 1 1 A 54 54 VAL HA H 54 3.850 3.617 0.233 1
1 615 . 7 1 1 A 54 54 VAL CA C 54 65.500 66.406 -0.906 1
1 616 . 7 1 1 A 54 54 VAL CB C 54 31.200 31.371 -0.171 1
1 619 . 7 1 1 A 54 54 VAL N N 54 116.800 121.384 -4.584 1
1 620 . 7 1 1 A 55 55 ALA H H 55 7.120 8.041 -0.921 1
1 621 . 7 1 1 A 55 55 ALA HA H 55 4.490 4.616 -0.126 1
1 625 . 7 1 1 A 55 55 ALA CA C 55 55.700 55.271 0.429 1
1 626 . 7 1 1 A 55 55 ALA CB C 55 16.700 18.596 -1.896 1
1 627 . 7 1 1 A 55 55 ALA N N 55 123.000 121.478 1.522 1
1 628 . 7 1 1 A 56 56 TRP H H 56 7.340 7.523 -0.183 1
1 629 . 7 1 1 A 56 56 TRP HA H 56 4.160 4.572 -0.412 1
1 638 . 7 1 1 A 56 56 TRP CA C 56 60.700 59.988 0.712 1
1 639 . 7 1 1 A 56 56 TRP CB C 56 30.100 29.268 0.832 1
1 645 . 7 1 1 A 56 56 TRP N N 56 119.300 118.473 0.827 1
1 647 . 7 1 1 A 57 57 LYS H H 57 8.330 8.320 0.010 1
1 648 . 7 1 1 A 57 57 LYS HA H 57 3.970 4.141 -0.171 1
1 657 . 7 1 1 A 57 57 LYS CA C 57 59.300 59.406 -0.106 1
1 658 . 7 1 1 A 57 57 LYS CB C 57 34.400 31.952 2.448 1
1 662 . 7 1 1 A 57 57 LYS N N 57 117.700 120.600 -2.900 1
1 663 . 7 1 1 A 58 58 TRP H H 58 8.170 7.743 0.427 1
1 664 . 7 1 1 A 58 58 TRP HA H 58 4.230 4.608 -0.378 1
1 673 . 7 1 1 A 58 58 TRP CA C 58 61.600 60.187 1.413 1
1 674 . 7 1 1 A 58 58 TRP CB C 58 29.000 30.045 -1.045 1
1 680 . 7 1 1 A 58 58 TRP N N 58 119.100 120.356 -1.256 1
1 682 . 7 1 1 A 59 59 LEU H H 59 9.500 9.175 0.325 1
1 683 . 7 1 1 A 59 59 LEU HA H 59 4.090 4.103 -0.013 1
1 693 . 7 1 1 A 59 59 LEU CA C 59 58.500 58.560 -0.060 1
1 694 . 7 1 1 A 59 59 LEU CB C 59 41.300 42.152 -0.852 1
1 698 . 7 1 1 A 59 59 LEU N N 59 127.300 120.786 6.514 1
1 699 . 7 1 1 A 60 60 GLY H H 60 8.480 7.909 0.571 1
1 700 . 7 1 1 A 60 60 GLY HA2 H 60 3.050 3.325 -0.275 1
1 701 . 7 1 1 A 60 60 GLY HA3 H 60 2.250 3.456 -1.206 1
1 702 . 7 1 1 A 60 60 GLY CA C 60 47.500 46.866 0.634 1
1 703 . 7 1 1 A 60 60 GLY N N 60 105.100 105.394 -0.294 1
1 704 . 7 1 1 A 61 61 LYS H H 61 7.680 7.816 -0.136 1
1 705 . 7 1 1 A 61 61 LYS HA H 61 3.890 4.306 -0.416 1
1 714 . 7 1 1 A 61 61 LYS CA C 61 59.300 58.557 0.743 1
1 715 . 7 1 1 A 61 61 LYS CB C 61 32.000 31.795 0.205 1
1 719 . 7 1 1 A 61 61 LYS N N 61 118.600 121.712 -3.112 1
1 720 . 7 1 1 A 62 62 THR H H 62 8.030 8.155 -0.125 1
1 721 . 7 1 1 A 62 62 THR HA H 62 3.780 4.257 -0.477 1
1 726 . 7 1 1 A 62 62 THR CA C 62 67.400 66.937 0.463 1
1 727 . 7 1 1 A 62 62 THR CB C 62 66.300 68.327 -2.027 1
1 729 . 7 1 1 A 62 62 THR N N 62 120.100 117.403 2.697 1
1 730 . 7 1 1 A 63 63 LEU H H 63 8.090 7.930 0.160 1
1 731 . 7 1 1 A 63 63 LEU HA H 63 4.080 3.839 0.241 1
1 741 . 7 1 1 A 63 63 LEU CA C 63 57.800 57.776 0.024 1
1 742 . 7 1 1 A 63 63 LEU CB C 63 40.800 40.885 -0.085 1
1 746 . 7 1 1 A 63 63 LEU N N 63 121.400 121.858 -0.458 1
1 747 . 7 1 1 A 64 64 GLN H H 64 8.300 7.916 0.384 1
1 748 . 7 1 1 A 64 64 GLN HA H 64 3.400 3.810 -0.410 1
1 755 . 7 1 1 A 64 64 GLN CA C 64 59.300 59.445 -0.145 1
1 756 . 7 1 1 A 64 64 GLN CB C 64 28.100 28.048 0.052 1
1 758 . 7 1 1 A 64 64 GLN N N 64 119.500 118.196 1.304 1
1 760 . 7 1 1 A 65 65 GLY H H 65 7.720 7.611 0.109 1
1 761 . 7 1 1 A 65 65 GLY HA2 H 65 2.300 2.189 0.111 1
1 762 . 7 1 1 A 65 65 GLY HA3 H 65 3.430 3.529 -0.099 1
1 763 . 7 1 1 A 65 65 GLY CA C 65 46.000 45.797 0.203 1
1 764 . 7 1 1 A 65 65 GLY N N 65 110.300 106.589 3.711 1
1 765 . 7 1 1 A 66 66 GLN H H 66 7.250 7.161 0.089 1
1 766 . 7 1 1 A 66 66 GLN HA H 66 4.270 4.376 -0.106 1
1 773 . 7 1 1 A 66 66 GLN CA C 66 55.900 55.225 0.675 1
1 774 . 7 1 1 A 66 66 GLN CB C 66 30.000 29.610 0.390 1
1 776 . 7 1 1 A 66 66 GLN N N 66 117.500 117.516 -0.016 1
1 778 . 7 1 1 A 67 67 GLY H H 67 7.800 7.976 -0.176 1
1 779 . 7 1 1 A 67 67 GLY HA2 H 67 4.230 3.923 0.307 1
1 780 . 7 1 1 A 67 67 GLY HA3 H 67 3.660 3.932 -0.272 1
1 781 . 7 1 1 A 67 67 GLY CA C 67 44.800 44.973 -0.173 1
1 782 . 7 1 1 A 67 67 GLY N N 67 107.400 107.223 0.177 1
1 783 . 7 1 1 A 68 68 ASP H H 68 8.100 7.856 0.244 1
1 784 . 7 1 1 A 68 68 ASP HA H 68 4.780 4.634 0.146 1
1 787 . 7 1 1 A 68 68 ASP CA C 68 51.100 52.602 -1.502 1
1 788 . 7 1 1 A 68 68 ASP CB C 68 38.800 39.361 -0.561 1
1 789 . 7 1 1 A 68 68 ASP N N 68 121.600 120.969 0.631 1
1 790 . 7 1 1 A 69 69 ARG H H 69 7.770 8.245 -0.475 1
1 791 . 7 1 1 A 69 69 ARG HA H 69 3.650 3.960 -0.310 1
1 798 . 7 1 1 A 69 69 ARG CA C 69 59.800 58.813 0.987 1
1 799 . 7 1 1 A 69 69 ARG CB C 69 28.700 29.726 -1.026 1
1 802 . 7 1 1 A 69 69 ARG N N 69 123.700 125.384 -1.684 1
1 803 . 7 1 1 A 70 70 ALA H H 70 8.490 8.105 0.385 1
1 804 . 7 1 1 A 70 70 ALA HA H 70 4.040 4.007 0.033 1
1 808 . 7 1 1 A 70 70 ALA CA C 70 54.700 54.770 -0.070 1
1 809 . 7 1 1 A 70 70 ALA CB C 70 17.800 19.230 -1.430 1
1 810 . 7 1 1 A 70 70 ALA N N 70 122.400 122.803 -0.403 1
1 811 . 7 1 1 A 71 71 GLY H H 71 8.540 8.217 0.323 1
1 812 . 7 1 1 A 71 71 GLY HA2 H 71 3.570 3.716 -0.146 1
1 813 . 7 1 1 A 71 71 GLY HA3 H 71 3.710 3.724 -0.014 1
1 814 . 7 1 1 A 71 71 GLY CA C 71 47.100 46.810 0.290 1
1 815 . 7 1 1 A 71 71 GLY N N 71 109.100 106.550 2.550 1
1 816 . 7 1 1 A 72 72 ALA H H 72 8.060 7.679 0.381 1
1 817 . 7 1 1 A 72 72 ALA HA H 72 3.310 3.453 -0.143 1
1 821 . 7 1 1 A 72 72 ALA CA C 72 55.200 54.446 0.754 1
1 822 . 7 1 1 A 72 72 ALA CB C 72 17.200 18.357 -1.157 1
1 823 . 7 1 1 A 72 72 ALA N N 72 126.600 124.711 1.889 1
1 824 . 7 1 1 A 73 73 ARG H H 73 7.840 7.893 -0.053 1
1 825 . 7 1 1 A 73 73 ARG HA H 73 3.760 4.271 -0.511 1
1 832 . 7 1 1 A 73 73 ARG CA C 73 59.700 58.894 0.806 1
1 833 . 7 1 1 A 73 73 ARG CB C 73 29.800 29.896 -0.096 1
1 836 . 7 1 1 A 73 73 ARG N N 73 116.300 116.845 -0.545 1
1 837 . 7 1 1 A 74 74 GLN H H 74 7.690 7.969 -0.279 1
1 838 . 7 1 1 A 74 74 GLN HA H 74 3.970 4.067 -0.097 1
1 845 . 7 1 1 A 74 74 GLN CA C 74 58.800 58.824 -0.024 1
1 846 . 7 1 1 A 74 74 GLN CB C 74 28.400 28.617 -0.217 1
1 848 . 7 1 1 A 74 74 GLN N N 74 116.500 119.142 -2.642 1
1 850 . 7 1 1 A 75 75 ALA H H 75 8.160 7.450 0.710 1
1 851 . 7 1 1 A 75 75 ALA HA H 75 4.350 4.046 0.304 1
1 855 . 7 1 1 A 75 75 ALA CA C 75 54.400 55.068 -0.668 1
1 856 . 7 1 1 A 75 75 ALA CB C 75 17.600 18.274 -0.674 1
1 857 . 7 1 1 A 75 75 ALA N N 75 121.900 121.114 0.786 1
1 858 . 7 1 1 A 76 76 TRP H H 76 8.640 8.023 0.617 1
1 859 . 7 1 1 A 76 76 TRP HA H 76 4.640 4.454 0.186 1
1 868 . 7 1 1 A 76 76 TRP CA C 76 58.200 60.198 -1.998 1
1 869 . 7 1 1 A 76 76 TRP CB C 76 27.600 29.587 -1.987 1
1 875 . 7 1 1 A 76 76 TRP N N 76 118.400 119.012 -0.612 1
1 877 . 7 1 1 A 77 77 GLU H H 77 9.050 8.488 0.562 1
1 878 . 7 1 1 A 77 77 GLU HA H 77 4.010 3.917 0.093 1
1 883 . 7 1 1 A 77 77 GLU CA C 77 58.900 59.914 -1.014 1
1 884 . 7 1 1 A 77 77 GLU CB C 77 28.100 29.301 -1.201 1
1 886 . 7 1 1 A 77 77 GLU N N 77 121.000 119.890 1.110 1
1 887 . 7 1 1 A 78 78 SER H H 78 8.280 7.943 0.337 1
1 888 . 7 1 1 A 78 78 SER HA H 78 3.800 4.223 -0.423 1
1 891 . 7 1 1 A 78 78 SER CA C 78 62.400 62.603 -0.203 1
1 892 . 7 1 1 A 78 78 SER CB C 78 68.000 62.707 5.293 1
1 893 . 7 1 1 A 78 78 SER N N 78 120.000 117.087 2.913 1
1 894 . 7 1 1 A 79 79 GLY H H 79 8.580 8.586 -0.006 1
1 895 . 7 1 1 A 79 79 GLY HA2 H 79 3.470 3.574 -0.104 1
1 896 . 7 1 1 A 79 79 GLY HA3 H 79 3.580 3.856 -0.276 1
1 897 . 7 1 1 A 79 79 GLY CA C 79 47.000 46.827 0.173 1
1 898 . 7 1 1 A 79 79 GLY N N 79 111.000 109.331 1.669 1
1 899 . 7 1 1 A 80 80 LEU H H 80 8.640 8.360 0.280 1
1 900 . 7 1 1 A 80 80 LEU HA H 80 3.830 4.078 -0.248 1
1 910 . 7 1 1 A 80 80 LEU CA C 80 58.200 57.753 0.447 1
1 911 . 7 1 1 A 80 80 LEU CB C 80 41.800 41.673 0.127 1
1 915 . 7 1 1 A 80 80 LEU N N 80 125.600 123.272 2.328 1
1 916 . 7 1 1 A 81 81 ALA H H 81 7.400 7.870 -0.470 1
1 917 . 7 1 1 A 81 81 ALA HA H 81 4.140 3.926 0.214 1
1 921 . 7 1 1 A 81 81 ALA CA C 81 54.600 55.170 -0.570 1
1 922 . 7 1 1 A 81 81 ALA CB C 81 17.500 18.095 -0.595 1
1 923 . 7 1 1 A 81 81 ALA N N 81 120.400 120.614 -0.214 1
1 924 . 7 1 1 A 82 82 ALA H H 82 7.640 7.572 0.068 1
1 925 . 7 1 1 A 82 82 ALA HA H 82 4.160 3.868 0.292 1
1 929 . 7 1 1 A 82 82 ALA CA C 82 54.700 54.516 0.184 1
1 930 . 7 1 1 A 82 82 ALA CB C 82 17.200 17.818 -0.618 1
1 931 . 7 1 1 A 82 82 ALA N N 82 120.900 120.240 0.660 1
1 932 . 7 1 1 A 83 83 ALA H H 83 8.910 8.118 0.792 1
1 933 . 7 1 1 A 83 83 ALA HA H 83 4.260 4.345 -0.085 1
1 937 . 7 1 1 A 83 83 ALA CA C 83 54.900 55.363 -0.463 1
1 938 . 7 1 1 A 83 83 ALA CB C 83 18.600 18.350 0.250 1
1 939 . 7 1 1 A 83 83 ALA N N 83 122.000 119.053 2.947 1
1 940 . 7 1 1 A 84 84 GLN H H 84 8.770 8.441 0.329 1
1 941 . 7 1 1 A 84 84 GLN HA H 84 3.940 4.073 -0.133 1
1 948 . 7 1 1 A 84 84 GLN CA C 84 58.800 59.221 -0.421 1
1 949 . 7 1 1 A 84 84 GLN CB C 84 28.200 28.311 -0.111 1
1 951 . 7 1 1 A 84 84 GLN N N 84 118.400 118.449 -0.049 1
1 953 . 7 1 1 A 85 85 SER H H 85 7.920 8.312 -0.392 1
1 954 . 7 1 1 A 85 85 SER HA H 85 4.250 4.184 0.066 1
1 957 . 7 1 1 A 85 85 SER CA C 85 61.200 61.230 -0.030 1
1 958 . 7 1 1 A 85 85 SER CB C 85 62.700 62.993 -0.293 1
1 959 . 7 1 1 A 85 85 SER N N 85 115.200 115.154 0.046 1
1 960 . 7 1 1 A 86 86 ARG H H 86 7.590 7.844 -0.254 1
1 961 . 7 1 1 A 86 86 ARG HA H 86 4.380 4.444 -0.064 1
1 968 . 7 1 1 A 86 86 ARG CA C 86 55.800 55.844 -0.044 1
1 969 . 7 1 1 A 86 86 ARG CB C 86 31.200 30.967 0.233 1
1 972 . 7 1 1 A 86 86 ARG N N 86 117.800 117.243 0.557 1
1 973 . 7 1 1 A 87 87 GLY H H 87 7.790 7.997 -0.207 1
1 974 . 7 1 1 A 87 87 GLY HA2 H 87 3.870 3.996 -0.126 1
1 975 . 7 1 1 A 87 87 GLY HA3 H 87 4.080 3.997 0.083 1
1 976 . 7 1 1 A 87 87 GLY CA C 87 46.100 46.298 -0.198 1
1 977 . 7 1 1 A 87 87 GLY N N 87 109.100 108.563 0.537 1
1 978 . 7 1 1 A 88 88 ASP H H 88 8.210 8.613 -0.403 1
1 979 . 7 1 1 A 88 88 ASP HA H 88 4.830 4.916 -0.086 1
1 982 . 7 1 1 A 88 88 ASP CA C 88 52.100 52.651 -0.551 1
1 983 . 7 1 1 A 88 88 ASP CB C 88 39.000 40.902 -1.902 1
1 984 . 7 1 1 A 88 88 ASP N N 88 120.200 120.705 -0.505 1
1 985 . 7 1 1 A 89 89 GLN H H 89 8.110 8.694 -0.584 1
1 986 . 7 1 1 A 89 89 GLN HA H 89 3.840 4.064 -0.224 1
1 993 . 7 1 1 A 89 89 GLN CA C 89 58.500 59.189 -0.689 1
1 994 . 7 1 1 A 89 89 GLN CB C 89 28.000 28.448 -0.448 1
1 996 . 7 1 1 A 89 89 GLN N N 89 122.400 124.865 -2.465 1
1 998 . 7 1 1 A 90 90 GLN H H 90 8.720 7.917 0.803 1
1 999 . 7 1 1 A 90 90 GLN HA H 90 4.000 4.084 -0.084 1
1 1006 . 7 1 1 A 90 90 GLN CA C 90 58.800 58.662 0.138 1
1 1007 . 7 1 1 A 90 90 GLN CB C 90 27.800 28.376 -0.576 1
1 1009 . 7 1 1 A 90 90 GLN N N 90 119.100 120.034 -0.934 1
1 1011 . 7 1 1 A 91 91 VAL H H 91 7.170 8.361 -1.191 1
1 1012 . 7 1 1 A 91 91 VAL HA H 91 3.660 3.699 -0.039 1
1 1020 . 7 1 1 A 91 91 VAL CA C 91 65.500 66.352 -0.852 1
1 1021 . 7 1 1 A 91 91 VAL CB C 91 31.300 31.732 -0.432 1
1 1024 . 7 1 1 A 91 91 VAL N N 91 119.900 119.642 0.258 1
1 1025 . 7 1 1 A 92 92 VAL H H 92 7.880 7.732 0.148 1
1 1026 . 7 1 1 A 92 92 VAL HA H 92 3.240 3.551 -0.311 1
1 1034 . 7 1 1 A 92 92 VAL CA C 92 67.300 67.020 0.280 1
1 1035 . 7 1 1 A 92 92 VAL CB C 92 31.500 31.458 0.042 1
1 1038 . 7 1 1 A 92 92 VAL N N 92 119.900 120.445 -0.545 1
1 1039 . 7 1 1 A 93 93 LYS H H 93 7.480 8.216 -0.736 1
1 1040 . 7 1 1 A 93 93 LYS HA H 93 3.920 3.886 0.034 1
1 1049 . 7 1 1 A 93 93 LYS CA C 93 59.300 60.065 -0.765 1
1 1050 . 7 1 1 A 93 93 LYS CB C 93 31.900 32.036 -0.136 1
1 1054 . 7 1 1 A 93 93 LYS N N 93 116.000 118.715 -2.715 1
1 1055 . 7 1 1 A 94 94 GLU H H 94 7.480 8.454 -0.974 1
1 1056 . 7 1 1 A 94 94 GLU HA H 94 3.580 4.036 -0.456 1
1 1061 . 7 1 1 A 94 94 GLU CA C 94 58.600 58.966 -0.366 1
1 1062 . 7 1 1 A 94 94 GLU CB C 94 29.500 29.418 0.082 1
1 1064 . 7 1 1 A 94 94 GLU N N 94 117.500 120.484 -2.984 1
1 1065 . 7 1 1 A 95 95 LEU H H 95 8.370 8.626 -0.256 1
1 1066 . 7 1 1 A 95 95 LEU HA H 95 3.530 4.058 -0.528 1
1 1076 . 7 1 1 A 95 95 LEU CA C 95 57.600 57.755 -0.155 1
1 1077 . 7 1 1 A 95 95 LEU CB C 95 40.900 40.989 -0.089 1
1 1081 . 7 1 1 A 95 95 LEU N N 95 117.500 119.967 -2.467 1
1 1082 . 7 1 1 A 96 96 GLN H H 96 8.330 8.281 0.049 1
1 1083 . 7 1 1 A 96 96 GLN HA H 96 3.980 4.052 -0.072 1
1 1090 . 7 1 1 A 96 96 GLN CA C 96 58.900 58.453 0.447 1
1 1091 . 7 1 1 A 96 96 GLN CB C 96 28.100 28.610 -0.510 1
1 1093 . 7 1 1 A 96 96 GLN N N 96 117.600 118.553 -0.953 1
1 1095 . 7 1 1 A 97 97 VAL H H 97 7.450 7.421 0.029 1
1 1096 . 7 1 1 A 97 97 VAL HA H 97 3.450 3.441 0.009 1
1 1104 . 7 1 1 A 97 97 VAL CA C 97 66.700 66.281 0.419 1
1 1105 . 7 1 1 A 97 97 VAL CB C 97 31.000 31.269 -0.269 1
1 1108 . 7 1 1 A 97 97 VAL N N 97 120.300 120.456 -0.156 1
1 1109 . 7 1 1 A 98 98 PHE H H 98 7.460 6.972 0.488 1
1 1110 . 7 1 1 A 98 98 PHE HA H 98 3.980 3.986 -0.006 1
1 1118 . 7 1 1 A 98 98 PHE CA C 98 58.700 60.650 -1.950 1
1 1119 . 7 1 1 A 98 98 PHE CB C 98 35.500 37.405 -1.905 1
1 1123 . 7 1 1 A 98 98 PHE N N 98 119.100 118.004 1.096 1
1 1124 . 7 1 1 A 99 99 LEU H H 99 8.330 8.460 -0.130 1
1 1125 . 7 1 1 A 99 99 LEU HA H 99 4.090 3.971 0.119 1
1 1135 . 7 1 1 A 99 99 LEU CA C 99 57.800 57.629 0.171 1
1 1136 . 7 1 1 A 99 99 LEU CB C 99 41.800 41.358 0.442 1
1 1140 . 7 1 1 A 99 99 LEU N N 99 119.300 119.739 -0.439 1
1 1141 . 7 1 1 A 100 100 ARG H H 100 8.350 7.953 0.397 1
1 1142 . 7 1 1 A 100 100 ARG HA H 100 4.110 4.023 0.087 1
1 1149 . 7 1 1 A 100 100 ARG CA C 100 59.300 59.484 -0.184 1
1 1150 . 7 1 1 A 100 100 ARG CB C 100 29.900 30.230 -0.330 1
1 1153 . 7 1 1 A 100 100 ARG N N 100 121.900 119.844 2.056 1
1 1154 . 7 1 1 A 101 101 ARG H H 101 8.110 7.547 0.563 1
1 1155 . 7 1 1 A 101 101 ARG HA H 101 4.020 4.080 -0.060 1
1 1162 . 7 1 1 A 101 101 ARG CA C 101 57.600 58.613 -1.013 1
1 1163 . 7 1 1 A 101 101 ARG CB C 101 30.200 29.915 0.285 1
1 1166 . 7 1 1 A 101 101 ARG N N 101 120.500 120.059 0.441 1
1 1167 . 7 1 1 A 102 102 LEU H H 102 7.890 8.443 -0.553 1
1 1168 . 7 1 1 A 102 102 LEU HA H 102 4.150 4.205 -0.055 1
1 1178 . 7 1 1 A 102 102 LEU CA C 102 57.600 57.718 -0.118 1
1 1179 . 7 1 1 A 102 102 LEU CB C 102 42.300 41.547 0.753 1
1 1183 . 7 1 1 A 102 102 LEU N N 102 119.900 120.739 -0.839 1
1 1184 . 7 1 1 A 103 103 ALA H H 103 7.880 8.628 -0.748 1
1 1185 . 7 1 1 A 103 103 ALA HA H 103 4.170 4.054 0.116 1
1 1189 . 7 1 1 A 103 103 ALA CA C 103 54.700 55.416 -0.716 1
1 1190 . 7 1 1 A 103 103 ALA CB C 103 17.800 18.416 -0.616 1
1 1191 . 7 1 1 A 103 103 ALA N N 103 120.000 120.823 -0.823 1
1 1192 . 7 1 1 A 104 104 ARG H H 104 8.060 7.799 0.261 1
1 1193 . 7 1 1 A 104 104 ARG HA H 104 4.130 4.073 0.057 1
1 1200 . 7 1 1 A 104 104 ARG CA C 104 58.500 59.437 -0.937 1
1 1201 . 7 1 1 A 104 104 ARG CB C 104 29.800 29.814 -0.014 1
1 1204 . 7 1 1 A 104 104 ARG N N 104 119.800 117.562 2.238 1
1 1205 . 7 1 1 A 105 105 GLU H H 105 8.050 8.306 -0.256 1
1 1206 . 7 1 1 A 105 105 GLU HA H 105 4.020 4.157 -0.137 1
1 1211 . 7 1 1 A 105 105 GLU CA C 105 58.500 58.971 -0.471 1
1 1212 . 7 1 1 A 105 105 GLU CB C 105 28.900 29.479 -0.579 1
1 1214 . 7 1 1 A 105 105 GLU N N 105 119.700 120.251 -0.551 1
1 1215 . 7 1 1 A 106 106 ASP H H 106 8.360 8.147 0.213 1
1 1216 . 7 1 1 A 106 106 ASP HA H 106 4.380 4.457 -0.077 1
1 1219 . 7 1 1 A 106 106 ASP CA C 106 56.500 57.457 -0.957 1
1 1220 . 7 1 1 A 106 106 ASP CB C 106 40.500 41.087 -0.587 1
1 1221 . 7 1 1 A 106 106 ASP N N 106 119.800 120.088 -0.288 1
1 1222 . 7 1 1 A 107 107 ALA H H 107 7.910 8.615 -0.705 1
1 1223 . 7 1 1 A 107 107 ALA HA H 107 4.150 3.982 0.168 1
1 1227 . 7 1 1 A 107 107 ALA CA C 107 54.200 54.805 -0.605 1
1 1228 . 7 1 1 A 107 107 ALA CB C 107 18.100 18.415 -0.315 1
1 1229 . 7 1 1 A 107 107 ALA N N 107 121.900 121.254 0.646 1
1 1230 . 7 1 1 A 108 108 LEU H H 108 7.840 7.873 -0.033 1
1 1231 . 7 1 1 A 108 108 LEU HA H 108 4.120 4.086 0.034 1
1 1241 . 7 1 1 A 108 108 LEU CA C 108 56.400 57.697 -1.297 1
1 1242 . 7 1 1 A 108 108 LEU CB C 108 42.000 41.563 0.437 1
1 1246 . 7 1 1 A 108 108 LEU N N 108 119.000 119.016 -0.016 1
1 1247 . 7 1 1 A 109 109 GLU H H 109 7.860 7.806 0.054 1
1 1248 . 7 1 1 A 109 109 GLU HA H 109 4.090 4.460 -0.370 1
1 1253 . 7 1 1 A 109 109 GLU CA C 109 57.000 56.338 0.662 1
1 1254 . 7 1 1 A 109 109 GLU CB C 109 29.100 29.673 -0.573 1
1 1256 . 7 1 1 A 109 109 GLU N N 109 118.600 117.288 1.312 1
1 1257 . 7 1 1 A 110 110 HIS H H 110 8.140 8.362 -0.222 1
1 1258 . 7 1 1 A 110 110 HIS HA H 110 4.560 4.186 0.374 1
1 1261 . 7 1 1 A 110 110 HIS CA C 110 55.600 56.592 -0.992 1
1 1262 . 7 1 1 A 110 110 HIS CB C 110 28.300 27.840 0.460 1
1 1263 . 7 1 1 A 110 110 HIS N N 110 117.000 117.045 -0.045 1
1 1264 . 7 1 1 A 111 111 HIS H H 111 8.340 8.048 0.292 1
1 1265 . 7 1 1 A 111 111 HIS HA H 111 4.600 4.490 0.110 1
1 1268 . 7 1 1 A 111 111 HIS CA C 111 55.500 58.734 -3.234 1
1 1269 . 7 1 1 A 111 111 HIS CB C 111 28.500 29.113 -0.613 1
1 1270 . 7 1 1 A 111 111 HIS N N 111 117.800 119.559 -1.759 1
1 1271 . 7 1 1 A 112 112 HIS H H 112 8.530 7.572 0.958 1
1 1272 . 7 1 1 A 112 112 HIS HA H 112 4.620 4.549 0.071 1
1 1275 . 7 1 1 A 112 112 HIS CA C 112 55.300 54.094 1.206 1
1 1276 . 7 1 1 A 112 112 HIS CB C 112 28.800 27.787 1.013 1
1 1277 . 7 1 1 A 112 112 HIS N N 112 119.000 119.415 -0.415 1
1 1278 . 7 1 1 A 113 113 HIS H H 113 8.660 7.800 0.860 1
1 1279 . 7 1 1 A 113 113 HIS HA H 113 4.640 4.597 0.043 1
1 1282 . 7 1 1 A 113 113 HIS CA C 113 55.200 56.366 -1.166 1
1 1283 . 7 1 1 A 113 113 HIS CB C 113 28.900 30.235 -1.335 1
1 1284 . 7 1 1 A 113 113 HIS N N 113 120.000 120.404 -0.404 1
1 1285 . 7 1 1 A 114 114 HIS H H 114 8.630 7.611 1.019 1
1 1286 . 7 1 1 A 114 114 HIS HA H 114 4.610 4.559 0.051 1
1 1289 . 7 1 1 A 114 114 HIS CA C 114 55.200 54.866 0.334 1
1 1290 . 7 1 1 A 114 114 HIS CB C 114 28.900 31.099 -2.199 1
1 1291 . 7 1 1 A 114 114 HIS N N 114 120.800 120.247 0.553 1
1 9 . 8 1 1 A 2 2 GLN H H 2 8.840 8.652 0.188 1
1 10 . 8 1 1 A 2 2 GLN HA H 2 4.310 4.626 -0.316 1
1 17 . 8 1 1 A 2 2 GLN CA C 2 55.600 54.882 0.718 1
1 18 . 8 1 1 A 2 2 GLN CB C 2 29.900 30.001 -0.101 1
1 20 . 8 1 1 A 2 2 GLN N N 2 124.000 124.706 -0.706 1
1 22 . 8 1 1 A 3 3 ALA H H 3 8.780 8.334 0.446 1
1 23 . 8 1 1 A 3 3 ALA HA H 3 4.240 4.364 -0.124 1
1 27 . 8 1 1 A 3 3 ALA CA C 3 52.600 50.373 2.227 1
1 28 . 8 1 1 A 3 3 ALA CB C 3 18.800 19.177 -0.377 1
1 29 . 8 1 1 A 3 3 ALA N N 3 127.500 123.690 3.810 1
1 30 . 8 1 1 A 4 4 ILE H H 4 8.490 8.259 0.231 1
1 31 . 8 1 1 A 4 4 ILE HA H 4 3.820 3.839 -0.019 1
1 41 . 8 1 1 A 4 4 ILE CA C 4 63.700 64.134 -0.434 1
1 42 . 8 1 1 A 4 4 ILE CB C 4 37.800 37.267 0.533 1
1 46 . 8 1 1 A 4 4 ILE N N 4 120.900 123.097 -2.197 1
1 47 . 8 1 1 A 5 5 THR H H 5 7.730 7.948 -0.218 1
1 48 . 8 1 1 A 5 5 THR HA H 5 3.540 3.703 -0.163 1
1 53 . 8 1 1 A 5 5 THR CA C 5 64.700 65.732 -1.032 1
1 54 . 8 1 1 A 5 5 THR CB C 5 66.700 67.909 -1.209 1
1 56 . 8 1 1 A 5 5 THR N N 5 110.700 113.540 -2.840 1
1 57 . 8 1 1 A 6 6 GLU H H 6 7.220 7.960 -0.740 1
1 58 . 8 1 1 A 6 6 GLU HA H 6 3.940 3.900 0.040 1
1 63 . 8 1 1 A 6 6 GLU CA C 6 59.200 59.556 -0.356 1
1 64 . 8 1 1 A 6 6 GLU CB C 6 28.900 29.587 -0.687 1
1 66 . 8 1 1 A 6 6 GLU N N 6 120.400 121.962 -1.562 1
1 67 . 8 1 1 A 7 7 ARG H H 7 7.930 7.976 -0.046 1
1 68 . 8 1 1 A 7 7 ARG HA H 7 3.950 4.068 -0.118 1
1 75 . 8 1 1 A 7 7 ARG CA C 7 59.100 58.838 0.262 1
1 76 . 8 1 1 A 7 7 ARG CB C 7 30.100 29.641 0.459 1
1 79 . 8 1 1 A 7 7 ARG N N 7 119.900 118.992 0.908 1
1 80 . 8 1 1 A 8 8 LEU H H 8 8.130 7.949 0.181 1
1 81 . 8 1 1 A 8 8 LEU HA H 8 4.150 3.858 0.292 1
1 91 . 8 1 1 A 8 8 LEU CA C 8 57.800 57.946 -0.146 1
1 92 . 8 1 1 A 8 8 LEU CB C 8 41.000 40.806 0.194 1
1 96 . 8 1 1 A 8 8 LEU N N 8 119.600 121.285 -1.685 1
1 97 . 8 1 1 A 9 9 GLU H H 9 8.530 9.071 -0.541 1
1 98 . 8 1 1 A 9 9 GLU HA H 9 4.150 3.980 0.170 1
1 103 . 8 1 1 A 9 9 GLU CA C 9 59.100 59.703 -0.603 1
1 104 . 8 1 1 A 9 9 GLU CB C 9 28.300 29.235 -0.935 1
1 106 . 8 1 1 A 9 9 GLU N N 9 118.200 117.751 0.449 1
1 107 . 8 1 1 A 10 10 ALA H H 10 7.800 7.827 -0.027 1
1 108 . 8 1 1 A 10 10 ALA HA H 10 4.230 4.078 0.152 1
1 112 . 8 1 1 A 10 10 ALA CA C 10 55.000 55.265 -0.265 1
1 113 . 8 1 1 A 10 10 ALA CB C 10 17.200 18.329 -1.129 1
1 114 . 8 1 1 A 10 10 ALA N N 10 122.900 122.570 0.330 1
1 115 . 8 1 1 A 11 11 MET H H 11 7.700 7.846 -0.146 1
1 116 . 8 1 1 A 11 11 MET HA H 11 4.040 4.507 -0.467 1
1 124 . 8 1 1 A 11 11 MET CA C 11 58.900 58.149 0.751 1
1 125 . 8 1 1 A 11 11 MET CB C 11 31.800 31.891 -0.091 1
1 128 . 8 1 1 A 11 11 MET N N 11 118.800 116.716 2.084 1
1 129 . 8 1 1 A 12 12 LEU H H 12 8.070 7.775 0.295 1
1 130 . 8 1 1 A 12 12 LEU HA H 12 4.870 3.950 0.920 1
1 140 . 8 1 1 A 12 12 LEU CA C 12 56.900 57.757 -0.857 1
1 141 . 8 1 1 A 12 12 LEU CB C 12 41.900 40.681 1.219 1
1 145 . 8 1 1 A 12 12 LEU N N 12 122.500 120.857 1.643 1
1 146 . 8 1 1 A 13 13 ALA H H 13 8.150 7.813 0.337 1
1 147 . 8 1 1 A 13 13 ALA HA H 13 4.130 4.080 0.050 1
1 151 . 8 1 1 A 13 13 ALA CA C 13 54.100 54.681 -0.581 1
1 152 . 8 1 1 A 13 13 ALA CB C 13 17.700 18.172 -0.472 1
1 153 . 8 1 1 A 13 13 ALA N N 13 122.300 121.774 0.526 1
1 154 . 8 1 1 A 14 14 GLN H H 14 7.560 7.387 0.173 1
1 155 . 8 1 1 A 14 14 GLN HA H 14 4.340 4.351 -0.011 1
1 162 . 8 1 1 A 14 14 GLN CA C 14 55.500 55.936 -0.436 1
1 163 . 8 1 1 A 14 14 GLN CB C 14 28.700 28.994 -0.294 1
1 165 . 8 1 1 A 14 14 GLN N N 14 115.100 115.760 -0.660 1
1 167 . 8 1 1 A 15 15 GLY H H 15 7.870 7.864 0.006 1
1 168 . 8 1 1 A 15 15 GLY HA2 H 15 3.720 4.007 -0.287 1
1 169 . 8 1 1 A 15 15 GLY HA3 H 15 4.430 4.010 0.420 1
1 170 . 8 1 1 A 15 15 GLY CA C 15 45.100 45.257 -0.157 1
1 171 . 8 1 1 A 15 15 GLY N N 15 106.800 107.394 -0.594 1
1 172 . 8 1 1 A 16 16 THR H H 16 7.980 7.334 0.646 1
1 173 . 8 1 1 A 16 16 THR HA H 16 4.190 4.378 -0.188 1
1 178 . 8 1 1 A 16 16 THR CA C 16 62.600 61.338 1.262 1
1 179 . 8 1 1 A 16 16 THR CB C 16 68.800 68.007 0.793 1
1 181 . 8 1 1 A 16 16 THR N N 16 120.800 115.610 5.190 1
1 182 . 8 1 1 A 17 17 ASP H H 17 8.110 7.606 0.504 1
1 183 . 8 1 1 A 17 17 ASP HA H 17 4.830 4.927 -0.097 1
1 186 . 8 1 1 A 17 17 ASP CA C 17 53.300 52.457 0.843 1
1 187 . 8 1 1 A 17 17 ASP CB C 17 42.700 42.093 0.607 1
1 188 . 8 1 1 A 17 17 ASP N N 17 122.800 124.163 -1.363 1
1 189 . 8 1 1 A 18 18 ASN HA H 18 3.460 4.527 -1.067 1
1 194 . 8 1 1 A 18 18 ASN CA C 18 52.200 53.849 -1.649 1
1 195 . 8 1 1 A 18 18 ASN CB C 18 39.600 38.970 0.630 1
1 197 . 8 1 1 A 19 19 MET H H 19 8.260 7.800 0.460 1
1 198 . 8 1 1 A 19 19 MET HA H 19 3.650 4.653 -1.003 1
1 206 . 8 1 1 A 19 19 MET CA C 19 61.100 56.518 4.582 1
1 207 . 8 1 1 A 19 19 MET CB C 19 32.900 34.956 -2.056 1
1 210 . 8 1 1 A 19 19 MET N N 19 119.100 116.874 2.226 1
1 211 . 8 1 1 A 20 20 LEU H H 20 8.350 7.705 0.645 1
1 212 . 8 1 1 A 20 20 LEU HA H 20 4.220 4.315 -0.095 1
1 222 . 8 1 1 A 20 20 LEU CA C 20 57.500 58.421 -0.921 1
1 223 . 8 1 1 A 20 20 LEU CB C 20 41.200 41.578 -0.378 1
1 227 . 8 1 1 A 20 20 LEU N N 20 120.400 121.335 -0.935 1
1 228 . 8 1 1 A 21 21 LEU H H 21 8.520 7.600 0.920 1
1 229 . 8 1 1 A 21 21 LEU HA H 21 3.910 3.757 0.153 1
1 239 . 8 1 1 A 21 21 LEU CA C 21 59.200 56.658 2.542 1
1 240 . 8 1 1 A 21 21 LEU CB C 21 42.400 41.262 1.138 1
1 244 . 8 1 1 A 21 21 LEU N N 21 125.500 118.359 7.141 1
1 245 . 8 1 1 A 22 22 ARG H H 22 7.830 7.724 0.106 1
1 246 . 8 1 1 A 22 22 ARG HA H 22 4.230 3.821 0.409 1
1 253 . 8 1 1 A 22 22 ARG CA C 22 57.300 59.255 -1.955 1
1 254 . 8 1 1 A 22 22 ARG CB C 22 28.800 29.812 -1.012 1
1 257 . 8 1 1 A 22 22 ARG N N 22 117.200 120.453 -3.253 1
1 258 . 8 1 1 A 23 23 PHE H H 23 9.380 7.941 1.439 1
1 259 . 8 1 1 A 23 23 PHE HA H 23 3.950 4.315 -0.365 1
1 267 . 8 1 1 A 23 23 PHE CA C 23 61.500 59.903 1.597 1
1 268 . 8 1 1 A 23 23 PHE CB C 23 40.200 37.779 2.421 1
1 272 . 8 1 1 A 23 23 PHE N N 23 118.500 117.600 0.900 1
1 273 . 8 1 1 A 24 24 THR H H 24 8.600 6.829 1.771 1
1 274 . 8 1 1 A 24 24 THR HA H 24 4.030 3.621 0.409 1
1 279 . 8 1 1 A 24 24 THR CA C 24 68.000 66.660 1.340 1
1 280 . 8 1 1 A 24 24 THR CB C 24 67.400 67.617 -0.217 1
1 282 . 8 1 1 A 24 24 THR N N 24 115.400 115.265 0.135 1
1 283 . 8 1 1 A 25 25 LEU H H 25 8.200 7.499 0.701 1
1 284 . 8 1 1 A 25 25 LEU HA H 25 3.390 3.731 -0.341 1
1 294 . 8 1 1 A 25 25 LEU CA C 25 58.200 58.135 0.065 1
1 295 . 8 1 1 A 25 25 LEU CB C 25 42.200 41.507 0.693 1
1 299 . 8 1 1 A 25 25 LEU N N 25 124.500 120.792 3.708 1
1 300 . 8 1 1 A 26 26 GLY H H 26 8.520 7.736 0.784 1
1 301 . 8 1 1 A 26 26 GLY HA2 H 26 3.910 3.802 0.108 1
1 302 . 8 1 1 A 26 26 GLY HA3 H 26 3.570 3.913 -0.343 1
1 303 . 8 1 1 A 26 26 GLY CA C 26 48.400 47.125 1.275 1
1 304 . 8 1 1 A 26 26 GLY N N 26 104.600 105.285 -0.685 1
1 305 . 8 1 1 A 27 27 LYS H H 27 8.730 7.903 0.827 1
1 306 . 8 1 1 A 27 27 LYS HA H 27 2.970 3.061 -0.091 1
1 315 . 8 1 1 A 27 27 LYS CA C 27 59.100 58.977 0.123 1
1 316 . 8 1 1 A 27 27 LYS CB C 27 31.400 31.849 -0.449 1
1 320 . 8 1 1 A 27 27 LYS N N 27 121.200 121.683 -0.483 1
1 321 . 8 1 1 A 28 28 THR H H 28 7.420 7.578 -0.158 1
1 322 . 8 1 1 A 28 28 THR HA H 28 3.680 3.784 -0.104 1
1 327 . 8 1 1 A 28 28 THR CA C 28 67.100 66.457 0.643 1
1 328 . 8 1 1 A 28 28 THR CB C 28 67.700 68.281 -0.581 1
1 330 . 8 1 1 A 28 28 THR N N 28 114.500 117.992 -3.492 1
1 331 . 8 1 1 A 29 29 TYR H H 29 8.220 8.184 0.036 1
1 332 . 8 1 1 A 29 29 TYR HA H 29 4.380 4.400 -0.020 1
1 339 . 8 1 1 A 29 29 TYR CA C 29 61.400 60.382 1.018 1
1 340 . 8 1 1 A 29 29 TYR CB C 29 37.100 37.232 -0.132 1
1 343 . 8 1 1 A 29 29 TYR N N 29 120.400 120.840 -0.440 1
1 344 . 8 1 1 A 30 30 ALA H H 30 8.500 8.317 0.183 1
1 345 . 8 1 1 A 30 30 ALA HA H 30 3.770 3.725 0.045 1
1 349 . 8 1 1 A 30 30 ALA CA C 30 56.000 55.101 0.899 1
1 350 . 8 1 1 A 30 30 ALA CB C 30 18.200 18.309 -0.109 1
1 351 . 8 1 1 A 30 30 ALA N N 30 123.300 123.051 0.249 1
1 352 . 8 1 1 A 31 31 GLU H H 31 8.940 7.955 0.985 1
1 353 . 8 1 1 A 31 31 GLU HA H 31 4.180 4.199 -0.019 1
1 358 . 8 1 1 A 31 31 GLU CA C 31 58.600 58.555 0.045 1
1 359 . 8 1 1 A 31 31 GLU CB C 31 28.700 29.271 -0.571 1
1 361 . 8 1 1 A 31 31 GLU N N 31 120.700 119.325 1.375 1
1 362 . 8 1 1 A 32 32 HIS H H 32 7.340 7.427 -0.087 1
1 363 . 8 1 1 A 32 32 HIS HA H 32 4.740 4.594 0.146 1
1 368 . 8 1 1 A 32 32 HIS CA C 32 54.800 56.515 -1.715 1
1 369 . 8 1 1 A 32 32 HIS CB C 32 28.200 29.963 -1.763 1
1 372 . 8 1 1 A 32 32 HIS N N 32 115.300 119.799 -4.499 1
1 373 . 8 1 1 A 33 33 GLU H H 33 7.830 7.671 0.159 1
1 374 . 8 1 1 A 33 33 GLU HA H 33 2.500 3.155 -0.655 1
1 379 . 8 1 1 A 33 33 GLU CA C 33 56.800 57.432 -0.632 1
1 380 . 8 1 1 A 33 33 GLU CB C 33 25.000 29.067 -4.067 1
1 382 . 8 1 1 A 33 33 GLU N N 33 112.200 118.621 -6.421 1
1 383 . 8 1 1 A 34 34 GLN H H 34 8.030 8.370 -0.340 1
1 384 . 8 1 1 A 34 34 GLN HA H 34 4.460 4.749 -0.289 1
1 391 . 8 1 1 A 34 34 GLN CA C 34 53.200 54.884 -1.684 1
1 392 . 8 1 1 A 34 34 GLN CB C 34 26.500 29.152 -2.652 1
1 394 . 8 1 1 A 34 34 GLN N N 34 121.000 118.018 2.982 1
1 396 . 8 1 1 A 35 35 PHE H H 35 7.050 7.784 -0.734 1
1 397 . 8 1 1 A 35 35 PHE HA H 35 4.180 4.347 -0.167 1
1 405 . 8 1 1 A 35 35 PHE CA C 35 60.700 60.909 -0.209 1
1 406 . 8 1 1 A 35 35 PHE CB C 35 38.200 38.485 -0.285 1
1 410 . 8 1 1 A 35 35 PHE N N 35 118.600 120.197 -1.597 1
1 411 . 8 1 1 A 36 36 ASP H H 36 8.410 8.504 -0.094 1
1 412 . 8 1 1 A 36 36 ASP HA H 36 4.200 4.430 -0.230 1
1 415 . 8 1 1 A 36 36 ASP CA C 36 56.700 57.770 -1.070 1
1 416 . 8 1 1 A 36 36 ASP CB C 36 38.800 41.578 -2.778 1
1 417 . 8 1 1 A 36 36 ASP N N 36 117.000 119.343 -2.343 1
1 418 . 8 1 1 A 37 37 ALA H H 37 7.540 7.822 -0.282 1
1 419 . 8 1 1 A 37 37 ALA HA H 37 3.860 3.991 -0.131 1
1 423 . 8 1 1 A 37 37 ALA CA C 37 52.900 54.622 -1.722 1
1 424 . 8 1 1 A 37 37 ALA CB C 37 16.300 17.908 -1.608 1
1 425 . 8 1 1 A 37 37 ALA N N 37 120.900 120.709 0.191 1
1 426 . 8 1 1 A 38 38 ALA H H 38 7.700 7.746 -0.046 1
1 427 . 8 1 1 A 38 38 ALA HA H 38 4.210 4.180 0.030 1
1 431 . 8 1 1 A 38 38 ALA CA C 38 55.100 55.140 -0.040 1
1 432 . 8 1 1 A 38 38 ALA CB C 38 20.500 18.281 2.219 1
1 433 . 8 1 1 A 38 38 ALA N N 38 117.600 120.246 -2.646 1
1 434 . 8 1 1 A 39 39 LEU H H 39 7.430 7.877 -0.447 1
1 435 . 8 1 1 A 39 39 LEU HA H 39 4.050 3.962 0.088 1
1 445 . 8 1 1 A 39 39 LEU CA C 39 60.500 60.032 0.468 1
1 446 . 8 1 1 A 39 39 LEU CB C 39 39.200 40.087 -0.887 1
1 450 . 8 1 1 A 39 39 LEU N N 39 114.900 118.252 -3.352 1
1 451 . 8 1 1 A 40 40 PRO HA H 40 4.180 4.231 -0.051 1
1 458 . 8 1 1 A 40 40 PRO CA C 40 65.100 66.002 -0.902 1
1 459 . 8 1 1 A 40 40 PRO CB C 40 30.600 30.730 -0.130 1
1 462 . 8 1 1 A 41 41 HIS H H 41 6.570 7.396 -0.826 1
1 463 . 8 1 1 A 41 41 HIS HA H 41 4.740 4.188 0.552 1
1 468 . 8 1 1 A 41 41 HIS CA C 41 58.800 59.713 -0.913 1
1 469 . 8 1 1 A 41 41 HIS CB C 41 30.800 29.651 1.149 1
1 472 . 8 1 1 A 41 41 HIS N N 41 116.500 116.332 0.168 1
1 473 . 8 1 1 A 42 42 LEU H H 42 8.140 8.515 -0.375 1
1 474 . 8 1 1 A 42 42 LEU HA H 42 4.120 3.914 0.206 1
1 484 . 8 1 1 A 42 42 LEU CA C 42 57.800 58.109 -0.309 1
1 485 . 8 1 1 A 42 42 LEU CB C 42 42.100 41.456 0.644 1
1 489 . 8 1 1 A 42 42 LEU N N 42 119.900 119.862 0.038 1
1 490 . 8 1 1 A 43 43 ARG H H 43 8.300 8.500 -0.200 1
1 491 . 8 1 1 A 43 43 ARG HA H 43 3.740 4.087 -0.347 1
1 498 . 8 1 1 A 43 43 ARG CA C 43 59.700 59.487 0.213 1
1 499 . 8 1 1 A 43 43 ARG CB C 43 28.300 30.049 -1.749 1
1 502 . 8 1 1 A 43 43 ARG N N 43 116.400 120.494 -4.094 1
1 503 . 8 1 1 A 44 44 ALA H H 44 7.850 8.210 -0.360 1
1 504 . 8 1 1 A 44 44 ALA HA H 44 4.060 4.170 -0.110 1
1 508 . 8 1 1 A 44 44 ALA CA C 44 54.600 54.926 -0.326 1
1 509 . 8 1 1 A 44 44 ALA CB C 44 17.000 18.302 -1.302 1
1 510 . 8 1 1 A 44 44 ALA N N 44 121.000 120.317 0.683 1
1 511 . 8 1 1 A 45 45 ALA H H 45 8.440 7.851 0.589 1
1 512 . 8 1 1 A 45 45 ALA HA H 45 4.270 4.156 0.114 1
1 516 . 8 1 1 A 45 45 ALA CA C 45 56.200 55.088 1.112 1
1 517 . 8 1 1 A 45 45 ALA CB C 45 17.000 18.299 -1.299 1
1 518 . 8 1 1 A 45 45 ALA N N 45 121.200 120.799 0.401 1
1 519 . 8 1 1 A 46 46 LEU H H 46 7.310 8.137 -0.827 1
1 520 . 8 1 1 A 46 46 LEU HA H 46 4.010 4.144 -0.134 1
1 530 . 8 1 1 A 46 46 LEU CA C 46 55.900 57.958 -2.058 1
1 531 . 8 1 1 A 46 46 LEU CB C 46 42.200 41.402 0.798 1
1 535 . 8 1 1 A 46 46 LEU N N 46 116.800 118.587 -1.787 1
1 536 . 8 1 1 A 47 47 ASP H H 47 7.590 8.573 -0.983 1
1 537 . 8 1 1 A 47 47 ASP HA H 47 4.440 4.397 0.043 1
1 540 . 8 1 1 A 47 47 ASP CA C 47 55.500 57.365 -1.865 1
1 541 . 8 1 1 A 47 47 ASP CB C 47 39.200 41.169 -1.969 1
1 542 . 8 1 1 A 47 47 ASP N N 47 118.900 119.923 -1.023 1
1 543 . 8 1 1 A 48 48 PHE H H 48 7.490 7.572 -0.082 1
1 544 . 8 1 1 A 48 48 PHE HA H 48 4.450 4.218 0.232 1
1 552 . 8 1 1 A 48 48 PHE CA C 48 61.200 60.982 0.218 1
1 553 . 8 1 1 A 48 48 PHE CB C 48 39.600 40.172 -0.572 1
1 557 . 8 1 1 A 48 48 PHE N N 48 117.200 119.847 -2.647 1
1 558 . 8 1 1 A 49 49 ASP H H 49 7.790 8.119 -0.329 1
1 559 . 8 1 1 A 49 49 ASP HA H 49 4.980 4.953 0.027 1
1 562 . 8 1 1 A 49 49 ASP CA C 49 51.000 51.629 -0.629 1
1 563 . 8 1 1 A 49 49 ASP CB C 49 41.800 41.593 0.207 1
1 564 . 8 1 1 A 49 49 ASP N N 49 113.500 117.866 -4.366 1
1 565 . 8 1 1 A 50 50 PRO HA H 50 4.780 4.667 0.113 1
1 572 . 8 1 1 A 50 50 PRO CA C 50 64.000 64.290 -0.290 1
1 573 . 8 1 1 A 50 50 PRO CB C 50 32.000 31.928 0.072 1
1 576 . 8 1 1 A 51 51 THR H H 51 8.640 7.596 1.044 1
1 577 . 8 1 1 A 51 51 THR HA H 51 4.620 4.945 -0.325 1
1 582 . 8 1 1 A 51 51 THR CA C 51 60.900 60.812 0.088 1
1 583 . 8 1 1 A 51 51 THR CB C 51 68.600 66.590 2.010 1
1 585 . 8 1 1 A 51 51 THR N N 51 111.900 112.145 -0.245 1
1 586 . 8 1 1 A 52 52 TYR H H 52 7.350 8.107 -0.757 1
1 587 . 8 1 1 A 52 52 TYR HA H 52 4.820 4.722 0.098 1
1 594 . 8 1 1 A 52 52 TYR CA C 52 56.100 55.591 0.509 1
1 595 . 8 1 1 A 52 52 TYR CB C 52 35.900 39.406 -3.506 1
1 598 . 8 1 1 A 52 52 TYR N N 52 122.600 125.889 -3.289 1
1 599 . 8 1 1 A 53 53 SER H H 53 8.480 8.035 0.445 1
1 600 . 8 1 1 A 53 53 SER HA H 53 4.170 1.780 2.390 1
1 603 . 8 1 1 A 53 53 SER CA C 53 62.900 61.353 1.547 1
1 604 . 8 1 1 A 53 53 SER CB C 53 62.900 62.444 0.456 1
1 605 . 8 1 1 A 53 53 SER N N 53 127.100 121.547 5.553 1
1 606 . 8 1 1 A 54 54 VAL H H 54 7.860 7.405 0.455 1
1 607 . 8 1 1 A 54 54 VAL HA H 54 3.850 3.445 0.405 1
1 615 . 8 1 1 A 54 54 VAL CA C 54 65.500 66.446 -0.946 1
1 616 . 8 1 1 A 54 54 VAL CB C 54 31.200 31.441 -0.241 1
1 619 . 8 1 1 A 54 54 VAL N N 54 116.800 121.164 -4.364 1
1 620 . 8 1 1 A 55 55 ALA H H 55 7.120 8.001 -0.881 1
1 621 . 8 1 1 A 55 55 ALA HA H 55 4.490 4.564 -0.074 1
1 625 . 8 1 1 A 55 55 ALA CA C 55 55.700 55.149 0.551 1
1 626 . 8 1 1 A 55 55 ALA CB C 55 16.700 18.483 -1.783 1
1 627 . 8 1 1 A 55 55 ALA N N 55 123.000 121.275 1.725 1
1 628 . 8 1 1 A 56 56 TRP H H 56 7.340 7.383 -0.043 1
1 629 . 8 1 1 A 56 56 TRP HA H 56 4.160 4.532 -0.372 1
1 638 . 8 1 1 A 56 56 TRP CA C 56 60.700 60.092 0.608 1
1 639 . 8 1 1 A 56 56 TRP CB C 56 30.100 29.109 0.991 1
1 645 . 8 1 1 A 56 56 TRP N N 56 119.300 118.286 1.014 1
1 647 . 8 1 1 A 57 57 LYS H H 57 8.330 7.857 0.473 1
1 648 . 8 1 1 A 57 57 LYS HA H 57 3.970 4.317 -0.347 1
1 657 . 8 1 1 A 57 57 LYS CA C 57 59.300 59.281 0.019 1
1 658 . 8 1 1 A 57 57 LYS CB C 57 34.400 32.002 2.398 1
1 662 . 8 1 1 A 57 57 LYS N N 57 117.700 117.827 -0.127 1
1 663 . 8 1 1 A 58 58 TRP H H 58 8.170 7.907 0.263 1
1 664 . 8 1 1 A 58 58 TRP HA H 58 4.230 4.549 -0.319 1
1 673 . 8 1 1 A 58 58 TRP CA C 58 61.600 59.422 2.178 1
1 674 . 8 1 1 A 58 58 TRP CB C 58 29.000 29.817 -0.817 1
1 680 . 8 1 1 A 58 58 TRP N N 58 119.100 120.978 -1.878 1
1 682 . 8 1 1 A 59 59 LEU H H 59 9.500 8.686 0.814 1
1 683 . 8 1 1 A 59 59 LEU HA H 59 4.090 4.069 0.021 1
1 693 . 8 1 1 A 59 59 LEU CA C 59 58.500 58.506 -0.006 1
1 694 . 8 1 1 A 59 59 LEU CB C 59 41.300 42.166 -0.866 1
1 698 . 8 1 1 A 59 59 LEU N N 59 127.300 120.792 6.508 1
1 699 . 8 1 1 A 60 60 GLY H H 60 8.480 7.840 0.640 1
1 700 . 8 1 1 A 60 60 GLY HA2 H 60 3.050 3.149 -0.099 1
1 701 . 8 1 1 A 60 60 GLY HA3 H 60 2.250 3.337 -1.087 1
1 702 . 8 1 1 A 60 60 GLY CA C 60 47.500 46.784 0.716 1
1 703 . 8 1 1 A 60 60 GLY N N 60 105.100 105.184 -0.084 1
1 704 . 8 1 1 A 61 61 LYS H H 61 7.680 8.288 -0.608 1
1 705 . 8 1 1 A 61 61 LYS HA H 61 3.890 4.138 -0.248 1
1 714 . 8 1 1 A 61 61 LYS CA C 61 59.300 58.795 0.505 1
1 715 . 8 1 1 A 61 61 LYS CB C 61 32.000 31.714 0.286 1
1 719 . 8 1 1 A 61 61 LYS N N 61 118.600 121.405 -2.805 1
1 720 . 8 1 1 A 62 62 THR H H 62 8.030 7.925 0.105 1
1 721 . 8 1 1 A 62 62 THR HA H 62 3.780 4.404 -0.624 1
1 726 . 8 1 1 A 62 62 THR CA C 62 67.400 67.269 0.131 1
1 727 . 8 1 1 A 62 62 THR CB C 62 66.300 68.394 -2.094 1
1 729 . 8 1 1 A 62 62 THR N N 62 120.100 116.823 3.277 1
1 730 . 8 1 1 A 63 63 LEU H H 63 8.090 7.987 0.103 1
1 731 . 8 1 1 A 63 63 LEU HA H 63 4.080 3.902 0.178 1
1 741 . 8 1 1 A 63 63 LEU CA C 63 57.800 57.720 0.080 1
1 742 . 8 1 1 A 63 63 LEU CB C 63 40.800 40.667 0.133 1
1 746 . 8 1 1 A 63 63 LEU N N 63 121.400 121.729 -0.329 1
1 747 . 8 1 1 A 64 64 GLN H H 64 8.300 7.706 0.594 1
1 748 . 8 1 1 A 64 64 GLN HA H 64 3.400 3.830 -0.430 1
1 755 . 8 1 1 A 64 64 GLN CA C 64 59.300 59.344 -0.044 1
1 756 . 8 1 1 A 64 64 GLN CB C 64 28.100 28.055 0.045 1
1 758 . 8 1 1 A 64 64 GLN N N 64 119.500 118.644 0.856 1
1 760 . 8 1 1 A 65 65 GLY H H 65 7.720 7.787 -0.067 1
1 761 . 8 1 1 A 65 65 GLY HA2 H 65 2.300 2.517 -0.217 1
1 762 . 8 1 1 A 65 65 GLY HA3 H 65 3.430 3.533 -0.103 1
1 763 . 8 1 1 A 65 65 GLY CA C 65 46.000 45.474 0.526 1
1 764 . 8 1 1 A 65 65 GLY N N 65 110.300 106.486 3.814 1
1 765 . 8 1 1 A 66 66 GLN H H 66 7.250 7.213 0.037 1
1 766 . 8 1 1 A 66 66 GLN HA H 66 4.270 4.337 -0.067 1
1 773 . 8 1 1 A 66 66 GLN CA C 66 55.900 56.676 -0.776 1
1 774 . 8 1 1 A 66 66 GLN CB C 66 30.000 29.184 0.816 1
1 776 . 8 1 1 A 66 66 GLN N N 66 117.500 119.931 -2.431 1
1 778 . 8 1 1 A 67 67 GLY H H 67 7.800 7.454 0.346 1
1 779 . 8 1 1 A 67 67 GLY HA2 H 67 4.230 3.969 0.261 1
1 780 . 8 1 1 A 67 67 GLY HA3 H 67 3.660 3.985 -0.325 1
1 781 . 8 1 1 A 67 67 GLY CA C 67 44.800 45.178 -0.378 1
1 782 . 8 1 1 A 67 67 GLY N N 67 107.400 107.708 -0.308 1
1 783 . 8 1 1 A 68 68 ASP H H 68 8.100 7.608 0.492 1
1 784 . 8 1 1 A 68 68 ASP HA H 68 4.780 4.651 0.129 1
1 787 . 8 1 1 A 68 68 ASP CA C 68 51.100 52.429 -1.329 1
1 788 . 8 1 1 A 68 68 ASP CB C 68 38.800 39.669 -0.869 1
1 789 . 8 1 1 A 68 68 ASP N N 68 121.600 121.066 0.534 1
1 790 . 8 1 1 A 69 69 ARG H H 69 7.770 8.185 -0.415 1
1 791 . 8 1 1 A 69 69 ARG HA H 69 3.650 3.965 -0.315 1
1 798 . 8 1 1 A 69 69 ARG CA C 69 59.800 58.791 1.009 1
1 799 . 8 1 1 A 69 69 ARG CB C 69 28.700 29.896 -1.196 1
1 802 . 8 1 1 A 69 69 ARG N N 69 123.700 125.244 -1.544 1
1 803 . 8 1 1 A 70 70 ALA H H 70 8.490 8.184 0.306 1
1 804 . 8 1 1 A 70 70 ALA HA H 70 4.040 4.076 -0.036 1
1 808 . 8 1 1 A 70 70 ALA CA C 70 54.700 54.866 -0.166 1
1 809 . 8 1 1 A 70 70 ALA CB C 70 17.800 18.436 -0.636 1
1 810 . 8 1 1 A 70 70 ALA N N 70 122.400 122.314 0.086 1
1 811 . 8 1 1 A 71 71 GLY H H 71 8.540 8.010 0.530 1
1 812 . 8 1 1 A 71 71 GLY HA2 H 71 3.570 3.685 -0.115 1
1 813 . 8 1 1 A 71 71 GLY HA3 H 71 3.710 3.696 0.014 1
1 814 . 8 1 1 A 71 71 GLY CA C 71 47.100 46.690 0.410 1
1 815 . 8 1 1 A 71 71 GLY N N 71 109.100 105.175 3.925 1
1 816 . 8 1 1 A 72 72 ALA H H 72 8.060 8.021 0.039 1
1 817 . 8 1 1 A 72 72 ALA HA H 72 3.310 3.494 -0.184 1
1 821 . 8 1 1 A 72 72 ALA CA C 72 55.200 54.838 0.362 1
1 822 . 8 1 1 A 72 72 ALA CB C 72 17.200 17.767 -0.567 1
1 823 . 8 1 1 A 72 72 ALA N N 72 126.600 124.590 2.010 1
1 824 . 8 1 1 A 73 73 ARG H H 73 7.840 7.576 0.264 1
1 825 . 8 1 1 A 73 73 ARG HA H 73 3.760 4.276 -0.516 1
1 832 . 8 1 1 A 73 73 ARG CA C 73 59.700 59.864 -0.164 1
1 833 . 8 1 1 A 73 73 ARG CB C 73 29.800 29.922 -0.122 1
1 836 . 8 1 1 A 73 73 ARG N N 73 116.300 118.284 -1.984 1
1 837 . 8 1 1 A 74 74 GLN H H 74 7.690 7.847 -0.157 1
1 838 . 8 1 1 A 74 74 GLN HA H 74 3.970 4.338 -0.368 1
1 845 . 8 1 1 A 74 74 GLN CA C 74 58.800 58.750 0.050 1
1 846 . 8 1 1 A 74 74 GLN CB C 74 28.400 28.504 -0.104 1
1 848 . 8 1 1 A 74 74 GLN N N 74 116.500 118.949 -2.449 1
1 850 . 8 1 1 A 75 75 ALA H H 75 8.160 7.836 0.324 1
1 851 . 8 1 1 A 75 75 ALA HA H 75 4.350 4.052 0.298 1
1 855 . 8 1 1 A 75 75 ALA CA C 75 54.400 54.893 -0.493 1
1 856 . 8 1 1 A 75 75 ALA CB C 75 17.600 18.135 -0.535 1
1 857 . 8 1 1 A 75 75 ALA N N 75 121.900 121.000 0.900 1
1 858 . 8 1 1 A 76 76 TRP H H 76 8.640 7.984 0.656 1
1 859 . 8 1 1 A 76 76 TRP HA H 76 4.640 4.492 0.148 1
1 868 . 8 1 1 A 76 76 TRP CA C 76 58.200 60.296 -2.096 1
1 869 . 8 1 1 A 76 76 TRP CB C 76 27.600 29.567 -1.967 1
1 875 . 8 1 1 A 76 76 TRP N N 76 118.400 119.118 -0.718 1
1 877 . 8 1 1 A 77 77 GLU H H 77 9.050 8.211 0.839 1
1 878 . 8 1 1 A 77 77 GLU HA H 77 4.010 3.935 0.075 1
1 883 . 8 1 1 A 77 77 GLU CA C 77 58.900 59.925 -1.025 1
1 884 . 8 1 1 A 77 77 GLU CB C 77 28.100 29.383 -1.283 1
1 886 . 8 1 1 A 77 77 GLU N N 77 121.000 120.029 0.971 1
1 887 . 8 1 1 A 78 78 SER H H 78 8.280 7.736 0.544 1
1 888 . 8 1 1 A 78 78 SER HA H 78 3.800 4.146 -0.346 1
1 891 . 8 1 1 A 78 78 SER CA C 78 62.400 61.016 1.384 1
1 892 . 8 1 1 A 78 78 SER CB C 78 68.000 62.848 5.152 1
1 893 . 8 1 1 A 78 78 SER N N 78 120.000 115.571 4.429 1
1 894 . 8 1 1 A 79 79 GLY H H 79 8.580 8.608 -0.028 1
1 895 . 8 1 1 A 79 79 GLY HA2 H 79 3.470 3.619 -0.149 1
1 896 . 8 1 1 A 79 79 GLY HA3 H 79 3.580 3.897 -0.317 1
1 897 . 8 1 1 A 79 79 GLY CA C 79 47.000 46.948 0.052 1
1 898 . 8 1 1 A 79 79 GLY N N 79 111.000 108.850 2.150 1
1 899 . 8 1 1 A 80 80 LEU H H 80 8.640 8.410 0.230 1
1 900 . 8 1 1 A 80 80 LEU HA H 80 3.830 4.111 -0.281 1
1 910 . 8 1 1 A 80 80 LEU CA C 80 58.200 57.787 0.413 1
1 911 . 8 1 1 A 80 80 LEU CB C 80 41.800 41.664 0.136 1
1 915 . 8 1 1 A 80 80 LEU N N 80 125.600 123.305 2.295 1
1 916 . 8 1 1 A 81 81 ALA H H 81 7.400 7.857 -0.457 1
1 917 . 8 1 1 A 81 81 ALA HA H 81 4.140 3.947 0.193 1
1 921 . 8 1 1 A 81 81 ALA CA C 81 54.600 55.253 -0.653 1
1 922 . 8 1 1 A 81 81 ALA CB C 81 17.500 17.940 -0.440 1
1 923 . 8 1 1 A 81 81 ALA N N 81 120.400 120.727 -0.327 1
1 924 . 8 1 1 A 82 82 ALA H H 82 7.640 7.601 0.039 1
1 925 . 8 1 1 A 82 82 ALA HA H 82 4.160 3.817 0.343 1
1 929 . 8 1 1 A 82 82 ALA CA C 82 54.700 54.699 0.001 1
1 930 . 8 1 1 A 82 82 ALA CB C 82 17.200 17.918 -0.718 1
1 931 . 8 1 1 A 82 82 ALA N N 82 120.900 120.127 0.773 1
1 932 . 8 1 1 A 83 83 ALA H H 83 8.910 8.008 0.902 1
1 933 . 8 1 1 A 83 83 ALA HA H 83 4.260 4.501 -0.241 1
1 937 . 8 1 1 A 83 83 ALA CA C 83 54.900 55.366 -0.466 1
1 938 . 8 1 1 A 83 83 ALA CB C 83 18.600 18.349 0.251 1
1 939 . 8 1 1 A 83 83 ALA N N 83 122.000 120.395 1.605 1
1 940 . 8 1 1 A 84 84 GLN H H 84 8.770 8.547 0.223 1
1 941 . 8 1 1 A 84 84 GLN HA H 84 3.940 4.076 -0.136 1
1 948 . 8 1 1 A 84 84 GLN CA C 84 58.800 59.088 -0.288 1
1 949 . 8 1 1 A 84 84 GLN CB C 84 28.200 28.433 -0.233 1
1 951 . 8 1 1 A 84 84 GLN N N 84 118.400 118.816 -0.416 1
1 953 . 8 1 1 A 85 85 SER H H 85 7.920 8.242 -0.322 1
1 954 . 8 1 1 A 85 85 SER HA H 85 4.250 4.175 0.075 1
1 957 . 8 1 1 A 85 85 SER CA C 85 61.200 61.358 -0.158 1
1 958 . 8 1 1 A 85 85 SER CB C 85 62.700 62.998 -0.298 1
1 959 . 8 1 1 A 85 85 SER N N 85 115.200 115.428 -0.228 1
1 960 . 8 1 1 A 86 86 ARG H H 86 7.590 7.807 -0.217 1
1 961 . 8 1 1 A 86 86 ARG HA H 86 4.380 4.443 -0.063 1
1 968 . 8 1 1 A 86 86 ARG CA C 86 55.800 56.089 -0.289 1
1 969 . 8 1 1 A 86 86 ARG CB C 86 31.200 30.944 0.256 1
1 972 . 8 1 1 A 86 86 ARG N N 86 117.800 117.580 0.220 1
1 973 . 8 1 1 A 87 87 GLY H H 87 7.790 7.828 -0.038 1
1 974 . 8 1 1 A 87 87 GLY HA2 H 87 3.870 3.930 -0.060 1
1 975 . 8 1 1 A 87 87 GLY HA3 H 87 4.080 3.932 0.148 1
1 976 . 8 1 1 A 87 87 GLY CA C 87 46.100 46.044 0.056 1
1 977 . 8 1 1 A 87 87 GLY N N 87 109.100 108.897 0.203 1
1 978 . 8 1 1 A 88 88 ASP H H 88 8.210 8.405 -0.195 1
1 979 . 8 1 1 A 88 88 ASP HA H 88 4.830 4.866 -0.036 1
1 982 . 8 1 1 A 88 88 ASP CA C 88 52.100 52.686 -0.586 1
1 983 . 8 1 1 A 88 88 ASP CB C 88 39.000 38.830 0.170 1
1 984 . 8 1 1 A 88 88 ASP N N 88 120.200 120.696 -0.496 1
1 985 . 8 1 1 A 89 89 GLN H H 89 8.110 8.145 -0.035 1
1 986 . 8 1 1 A 89 89 GLN HA H 89 3.840 4.015 -0.175 1
1 993 . 8 1 1 A 89 89 GLN CA C 89 58.500 59.213 -0.713 1
1 994 . 8 1 1 A 89 89 GLN CB C 89 28.000 28.473 -0.473 1
1 996 . 8 1 1 A 89 89 GLN N N 89 122.400 122.520 -0.120 1
1 998 . 8 1 1 A 90 90 GLN H H 90 8.720 7.834 0.886 1
1 999 . 8 1 1 A 90 90 GLN HA H 90 4.000 4.057 -0.057 1
1 1006 . 8 1 1 A 90 90 GLN CA C 90 58.800 58.673 0.127 1
1 1007 . 8 1 1 A 90 90 GLN CB C 90 27.800 28.404 -0.604 1
1 1009 . 8 1 1 A 90 90 GLN N N 90 119.100 119.953 -0.853 1
1 1011 . 8 1 1 A 91 91 VAL H H 91 7.170 7.869 -0.699 1
1 1012 . 8 1 1 A 91 91 VAL HA H 91 3.660 3.576 0.084 1
1 1020 . 8 1 1 A 91 91 VAL CA C 91 65.500 66.254 -0.754 1
1 1021 . 8 1 1 A 91 91 VAL CB C 91 31.300 31.623 -0.323 1
1 1024 . 8 1 1 A 91 91 VAL N N 91 119.900 119.560 0.340 1
1 1025 . 8 1 1 A 92 92 VAL H H 92 7.880 7.940 -0.060 1
1 1026 . 8 1 1 A 92 92 VAL HA H 92 3.240 3.540 -0.300 1
1 1034 . 8 1 1 A 92 92 VAL CA C 92 67.300 67.006 0.294 1
1 1035 . 8 1 1 A 92 92 VAL CB C 92 31.500 31.436 0.064 1
1 1038 . 8 1 1 A 92 92 VAL N N 92 119.900 120.673 -0.773 1
1 1039 . 8 1 1 A 93 93 LYS H H 93 7.480 8.012 -0.532 1
1 1040 . 8 1 1 A 93 93 LYS HA H 93 3.920 3.827 0.093 1
1 1049 . 8 1 1 A 93 93 LYS CA C 93 59.300 60.302 -1.002 1
1 1050 . 8 1 1 A 93 93 LYS CB C 93 31.900 32.024 -0.124 1
1 1054 . 8 1 1 A 93 93 LYS N N 93 116.000 118.441 -2.441 1
1 1055 . 8 1 1 A 94 94 GLU H H 94 7.480 8.140 -0.660 1
1 1056 . 8 1 1 A 94 94 GLU HA H 94 3.580 3.969 -0.389 1
1 1061 . 8 1 1 A 94 94 GLU CA C 94 58.600 59.063 -0.463 1
1 1062 . 8 1 1 A 94 94 GLU CB C 94 29.500 29.342 0.158 1
1 1064 . 8 1 1 A 94 94 GLU N N 94 117.500 120.443 -2.943 1
1 1065 . 8 1 1 A 95 95 LEU H H 95 8.370 8.538 -0.168 1
1 1066 . 8 1 1 A 95 95 LEU HA H 95 3.530 3.961 -0.431 1
1 1076 . 8 1 1 A 95 95 LEU CA C 95 57.600 57.868 -0.268 1
1 1077 . 8 1 1 A 95 95 LEU CB C 95 40.900 41.296 -0.396 1
1 1081 . 8 1 1 A 95 95 LEU N N 95 117.500 120.104 -2.604 1
1 1082 . 8 1 1 A 96 96 GLN H H 96 8.330 8.178 0.152 1
1 1083 . 8 1 1 A 96 96 GLN HA H 96 3.980 3.995 -0.015 1
1 1090 . 8 1 1 A 96 96 GLN CA C 96 58.900 58.484 0.416 1
1 1091 . 8 1 1 A 96 96 GLN CB C 96 28.100 28.581 -0.481 1
1 1093 . 8 1 1 A 96 96 GLN N N 96 117.600 118.494 -0.894 1
1 1095 . 8 1 1 A 97 97 VAL H H 97 7.450 7.545 -0.095 1
1 1096 . 8 1 1 A 97 97 VAL HA H 97 3.450 3.443 0.007 1
1 1104 . 8 1 1 A 97 97 VAL CA C 97 66.700 66.273 0.427 1
1 1105 . 8 1 1 A 97 97 VAL CB C 97 31.000 31.327 -0.327 1
1 1108 . 8 1 1 A 97 97 VAL N N 97 120.300 120.717 -0.417 1
1 1109 . 8 1 1 A 98 98 PHE H H 98 7.460 6.940 0.520 1
1 1110 . 8 1 1 A 98 98 PHE HA H 98 3.980 3.938 0.042 1
1 1118 . 8 1 1 A 98 98 PHE CA C 98 58.700 60.578 -1.878 1
1 1119 . 8 1 1 A 98 98 PHE CB C 98 35.500 37.804 -2.304 1
1 1123 . 8 1 1 A 98 98 PHE N N 98 119.100 117.987 1.113 1
1 1124 . 8 1 1 A 99 99 LEU H H 99 8.330 8.502 -0.172 1
1 1125 . 8 1 1 A 99 99 LEU HA H 99 4.090 3.953 0.137 1
1 1135 . 8 1 1 A 99 99 LEU CA C 99 57.800 57.737 0.063 1
1 1136 . 8 1 1 A 99 99 LEU CB C 99 41.800 41.291 0.509 1
1 1140 . 8 1 1 A 99 99 LEU N N 99 119.300 119.471 -0.171 1
1 1141 . 8 1 1 A 100 100 ARG H H 100 8.350 8.010 0.340 1
1 1142 . 8 1 1 A 100 100 ARG HA H 100 4.110 4.000 0.110 1
1 1149 . 8 1 1 A 100 100 ARG CA C 100 59.300 59.486 -0.186 1
1 1150 . 8 1 1 A 100 100 ARG CB C 100 29.900 30.018 -0.118 1
1 1153 . 8 1 1 A 100 100 ARG N N 100 121.900 119.824 2.076 1
1 1154 . 8 1 1 A 101 101 ARG H H 101 8.110 7.506 0.604 1
1 1155 . 8 1 1 A 101 101 ARG HA H 101 4.020 4.206 -0.186 1
1 1162 . 8 1 1 A 101 101 ARG CA C 101 57.600 58.530 -0.930 1
1 1163 . 8 1 1 A 101 101 ARG CB C 101 30.200 29.764 0.436 1
1 1166 . 8 1 1 A 101 101 ARG N N 101 120.500 119.863 0.637 1
1 1167 . 8 1 1 A 102 102 LEU H H 102 7.890 8.528 -0.638 1
1 1168 . 8 1 1 A 102 102 LEU HA H 102 4.150 4.199 -0.049 1
1 1178 . 8 1 1 A 102 102 LEU CA C 102 57.600 57.821 -0.221 1
1 1179 . 8 1 1 A 102 102 LEU CB C 102 42.300 41.710 0.590 1
1 1183 . 8 1 1 A 102 102 LEU N N 102 119.900 121.261 -1.361 1
1 1184 . 8 1 1 A 103 103 ALA H H 103 7.880 8.275 -0.395 1
1 1185 . 8 1 1 A 103 103 ALA HA H 103 4.170 3.958 0.212 1
1 1189 . 8 1 1 A 103 103 ALA CA C 103 54.700 55.039 -0.339 1
1 1190 . 8 1 1 A 103 103 ALA CB C 103 17.800 18.304 -0.504 1
1 1191 . 8 1 1 A 103 103 ALA N N 103 120.000 120.606 -0.606 1
1 1192 . 8 1 1 A 104 104 ARG H H 104 8.060 7.411 0.649 1
1 1193 . 8 1 1 A 104 104 ARG HA H 104 4.130 4.069 0.061 1
1 1200 . 8 1 1 A 104 104 ARG CA C 104 58.500 59.272 -0.772 1
1 1201 . 8 1 1 A 104 104 ARG CB C 104 29.800 29.659 0.141 1
1 1204 . 8 1 1 A 104 104 ARG N N 104 119.800 117.416 2.384 1
1 1205 . 8 1 1 A 105 105 GLU H H 105 8.050 8.009 0.041 1
1 1206 . 8 1 1 A 105 105 GLU HA H 105 4.020 4.113 -0.093 1
1 1211 . 8 1 1 A 105 105 GLU CA C 105 58.500 59.319 -0.819 1
1 1212 . 8 1 1 A 105 105 GLU CB C 105 28.900 29.690 -0.790 1
1 1214 . 8 1 1 A 105 105 GLU N N 105 119.700 119.893 -0.193 1
1 1215 . 8 1 1 A 106 106 ASP H H 106 8.360 8.287 0.073 1
1 1216 . 8 1 1 A 106 106 ASP HA H 106 4.380 4.400 -0.020 1
1 1219 . 8 1 1 A 106 106 ASP CA C 106 56.500 57.999 -1.499 1
1 1220 . 8 1 1 A 106 106 ASP CB C 106 40.500 42.059 -1.559 1
1 1221 . 8 1 1 A 106 106 ASP N N 106 119.800 120.127 -0.327 1
1 1222 . 8 1 1 A 107 107 ALA H H 107 7.910 8.049 -0.139 1
1 1223 . 8 1 1 A 107 107 ALA HA H 107 4.150 4.235 -0.085 1
1 1227 . 8 1 1 A 107 107 ALA CA C 107 54.200 55.119 -0.919 1
1 1228 . 8 1 1 A 107 107 ALA CB C 107 18.100 18.521 -0.421 1
1 1229 . 8 1 1 A 107 107 ALA N N 107 121.900 121.800 0.100 1
1 1230 . 8 1 1 A 108 108 LEU H H 108 7.840 7.997 -0.157 1
1 1231 . 8 1 1 A 108 108 LEU HA H 108 4.120 3.895 0.225 1
1 1241 . 8 1 1 A 108 108 LEU CA C 108 56.400 57.782 -1.382 1
1 1242 . 8 1 1 A 108 108 LEU CB C 108 42.000 41.429 0.571 1
1 1246 . 8 1 1 A 108 108 LEU N N 108 119.000 119.572 -0.572 1
1 1247 . 8 1 1 A 109 109 GLU H H 109 7.860 7.902 -0.042 1
1 1248 . 8 1 1 A 109 109 GLU HA H 109 4.090 4.603 -0.513 1
1 1253 . 8 1 1 A 109 109 GLU CA C 109 57.000 58.360 -1.360 1
1 1254 . 8 1 1 A 109 109 GLU CB C 109 29.100 30.918 -1.818 1
1 1256 . 8 1 1 A 109 109 GLU N N 109 118.600 117.367 1.233 1
1 1257 . 8 1 1 A 110 110 HIS H H 110 8.140 8.327 -0.187 1
1 1258 . 8 1 1 A 110 110 HIS HA H 110 4.560 4.290 0.270 1
1 1261 . 8 1 1 A 110 110 HIS CA C 110 55.600 58.603 -3.003 1
1 1262 . 8 1 1 A 110 110 HIS CB C 110 28.300 30.074 -1.774 1
1 1263 . 8 1 1 A 110 110 HIS N N 110 117.000 119.863 -2.863 1
1 1264 . 8 1 1 A 111 111 HIS H H 111 8.340 7.553 0.787 1
1 1265 . 8 1 1 A 111 111 HIS HA H 111 4.600 4.366 0.234 1
1 1268 . 8 1 1 A 111 111 HIS CA C 111 55.500 56.604 -1.104 1
1 1269 . 8 1 1 A 111 111 HIS CB C 111 28.500 30.653 -2.153 1
1 1270 . 8 1 1 A 111 111 HIS N N 111 117.800 118.135 -0.335 1
1 1271 . 8 1 1 A 112 112 HIS H H 112 8.530 7.661 0.869 1
1 1272 . 8 1 1 A 112 112 HIS HA H 112 4.620 4.321 0.299 1
1 1275 . 8 1 1 A 112 112 HIS CA C 112 55.300 57.321 -2.021 1
1 1276 . 8 1 1 A 112 112 HIS CB C 112 28.800 30.365 -1.565 1
1 1277 . 8 1 1 A 112 112 HIS N N 112 119.000 118.517 0.483 1
1 1278 . 8 1 1 A 113 113 HIS H H 113 8.660 7.547 1.113 1
1 1279 . 8 1 1 A 113 113 HIS HA H 113 4.640 4.257 0.383 1
1 1282 . 8 1 1 A 113 113 HIS CA C 113 55.200 56.612 -1.412 1
1 1283 . 8 1 1 A 113 113 HIS CB C 113 28.900 30.164 -1.264 1
1 1284 . 8 1 1 A 113 113 HIS N N 113 120.000 119.822 0.178 1
1 1285 . 8 1 1 A 114 114 HIS H H 114 8.630 8.377 0.253 1
1 1286 . 8 1 1 A 114 114 HIS HA H 114 4.610 4.320 0.290 1
1 1289 . 8 1 1 A 114 114 HIS CA C 114 55.200 56.124 -0.924 1
1 1290 . 8 1 1 A 114 114 HIS CB C 114 28.900 30.190 -1.290 1
1 1291 . 8 1 1 A 114 114 HIS N N 114 120.800 124.337 -3.537 1
1 9 . 9 1 1 A 2 2 GLN H H 2 8.840 8.838 0.002 1
1 10 . 9 1 1 A 2 2 GLN HA H 2 4.310 4.581 -0.271 1
1 17 . 9 1 1 A 2 2 GLN CA C 2 55.600 55.266 0.334 1
1 18 . 9 1 1 A 2 2 GLN CB C 2 29.900 30.113 -0.213 1
1 20 . 9 1 1 A 2 2 GLN N N 2 124.000 127.873 -3.873 1
1 22 . 9 1 1 A 3 3 ALA H H 3 8.780 8.928 -0.148 1
1 23 . 9 1 1 A 3 3 ALA HA H 3 4.240 4.447 -0.207 1
1 27 . 9 1 1 A 3 3 ALA CA C 3 52.600 51.965 0.635 1
1 28 . 9 1 1 A 3 3 ALA CB C 3 18.800 18.890 -0.090 1
1 29 . 9 1 1 A 3 3 ALA N N 3 127.500 127.143 0.357 1
1 30 . 9 1 1 A 4 4 ILE H H 4 8.490 8.522 -0.032 1
1 31 . 9 1 1 A 4 4 ILE HA H 4 3.820 3.742 0.078 1
1 41 . 9 1 1 A 4 4 ILE CA C 4 63.700 64.798 -1.098 1
1 42 . 9 1 1 A 4 4 ILE CB C 4 37.800 37.353 0.447 1
1 46 . 9 1 1 A 4 4 ILE N N 4 120.900 124.848 -3.948 1
1 47 . 9 1 1 A 5 5 THR H H 5 7.730 8.169 -0.439 1
1 48 . 9 1 1 A 5 5 THR HA H 5 3.540 3.942 -0.402 1
1 53 . 9 1 1 A 5 5 THR CA C 5 64.700 65.865 -1.165 1
1 54 . 9 1 1 A 5 5 THR CB C 5 66.700 68.444 -1.744 1
1 56 . 9 1 1 A 5 5 THR N N 5 110.700 113.764 -3.064 1
1 57 . 9 1 1 A 6 6 GLU H H 6 7.220 8.256 -1.036 1
1 58 . 9 1 1 A 6 6 GLU HA H 6 3.940 3.903 0.037 1
1 63 . 9 1 1 A 6 6 GLU CA C 6 59.200 59.731 -0.531 1
1 64 . 9 1 1 A 6 6 GLU CB C 6 28.900 29.166 -0.266 1
1 66 . 9 1 1 A 6 6 GLU N N 6 120.400 122.106 -1.706 1
1 67 . 9 1 1 A 7 7 ARG H H 7 7.930 8.024 -0.094 1
1 68 . 9 1 1 A 7 7 ARG HA H 7 3.950 4.106 -0.156 1
1 75 . 9 1 1 A 7 7 ARG CA C 7 59.100 58.879 0.221 1
1 76 . 9 1 1 A 7 7 ARG CB C 7 30.100 29.744 0.356 1
1 79 . 9 1 1 A 7 7 ARG N N 7 119.900 118.839 1.061 1
1 80 . 9 1 1 A 8 8 LEU H H 8 8.130 7.991 0.139 1
1 81 . 9 1 1 A 8 8 LEU HA H 8 4.150 3.973 0.177 1
1 91 . 9 1 1 A 8 8 LEU CA C 8 57.800 58.007 -0.207 1
1 92 . 9 1 1 A 8 8 LEU CB C 8 41.000 41.107 -0.107 1
1 96 . 9 1 1 A 8 8 LEU N N 8 119.600 121.213 -1.613 1
1 97 . 9 1 1 A 9 9 GLU H H 9 8.530 8.845 -0.315 1
1 98 . 9 1 1 A 9 9 GLU HA H 9 4.150 4.026 0.124 1
1 103 . 9 1 1 A 9 9 GLU CA C 9 59.100 59.534 -0.434 1
1 104 . 9 1 1 A 9 9 GLU CB C 9 28.300 29.063 -0.763 1
1 106 . 9 1 1 A 9 9 GLU N N 9 118.200 118.618 -0.418 1
1 107 . 9 1 1 A 10 10 ALA H H 10 7.800 8.046 -0.246 1
1 108 . 9 1 1 A 10 10 ALA HA H 10 4.230 4.093 0.137 1
1 112 . 9 1 1 A 10 10 ALA CA C 10 55.000 55.260 -0.260 1
1 113 . 9 1 1 A 10 10 ALA CB C 10 17.200 18.239 -1.039 1
1 114 . 9 1 1 A 10 10 ALA N N 10 122.900 122.664 0.236 1
1 115 . 9 1 1 A 11 11 MET H H 11 7.700 8.339 -0.639 1
1 116 . 9 1 1 A 11 11 MET HA H 11 4.040 4.467 -0.427 1
1 124 . 9 1 1 A 11 11 MET CA C 11 58.900 57.928 0.972 1
1 125 . 9 1 1 A 11 11 MET CB C 11 31.800 32.301 -0.501 1
1 128 . 9 1 1 A 11 11 MET N N 11 118.800 116.730 2.070 1
1 129 . 9 1 1 A 12 12 LEU H H 12 8.070 8.139 -0.069 1
1 130 . 9 1 1 A 12 12 LEU HA H 12 4.870 4.013 0.857 1
1 140 . 9 1 1 A 12 12 LEU CA C 12 56.900 57.910 -1.010 1
1 141 . 9 1 1 A 12 12 LEU CB C 12 41.900 41.261 0.639 1
1 145 . 9 1 1 A 12 12 LEU N N 12 122.500 123.835 -1.335 1
1 146 . 9 1 1 A 13 13 ALA H H 13 8.150 7.505 0.645 1
1 147 . 9 1 1 A 13 13 ALA HA H 13 4.130 3.988 0.142 1
1 151 . 9 1 1 A 13 13 ALA CA C 13 54.100 54.974 -0.874 1
1 152 . 9 1 1 A 13 13 ALA CB C 13 17.700 18.376 -0.676 1
1 153 . 9 1 1 A 13 13 ALA N N 13 122.300 120.366 1.934 1
1 154 . 9 1 1 A 14 14 GLN H H 14 7.560 7.790 -0.230 1
1 155 . 9 1 1 A 14 14 GLN HA H 14 4.340 4.374 -0.034 1
1 162 . 9 1 1 A 14 14 GLN CA C 14 55.500 55.587 -0.087 1
1 163 . 9 1 1 A 14 14 GLN CB C 14 28.700 28.735 -0.035 1
1 165 . 9 1 1 A 14 14 GLN N N 14 115.100 115.429 -0.329 1
1 167 . 9 1 1 A 15 15 GLY H H 15 7.870 7.987 -0.117 1
1 168 . 9 1 1 A 15 15 GLY HA2 H 15 3.720 3.953 -0.233 1
1 169 . 9 1 1 A 15 15 GLY HA3 H 15 4.430 3.956 0.474 1
1 170 . 9 1 1 A 15 15 GLY CA C 15 45.100 46.601 -1.501 1
1 171 . 9 1 1 A 15 15 GLY N N 15 106.800 107.836 -1.036 1
1 172 . 9 1 1 A 16 16 THR H H 16 7.980 7.532 0.448 1
1 173 . 9 1 1 A 16 16 THR HA H 16 4.190 4.472 -0.282 1
1 178 . 9 1 1 A 16 16 THR CA C 16 62.600 61.063 1.537 1
1 179 . 9 1 1 A 16 16 THR CB C 16 68.800 68.173 0.627 1
1 181 . 9 1 1 A 16 16 THR N N 16 120.800 114.834 5.966 1
1 182 . 9 1 1 A 17 17 ASP H H 17 8.110 8.973 -0.863 1
1 183 . 9 1 1 A 17 17 ASP HA H 17 4.830 5.170 -0.340 1
1 186 . 9 1 1 A 17 17 ASP CA C 17 53.300 52.737 0.563 1
1 187 . 9 1 1 A 17 17 ASP CB C 17 42.700 42.187 0.513 1
1 188 . 9 1 1 A 17 17 ASP N N 17 122.800 127.640 -4.840 1
1 189 . 9 1 1 A 18 18 ASN HA H 18 3.460 4.936 -1.476 1
1 194 . 9 1 1 A 18 18 ASN CA C 18 52.200 51.851 0.349 1
1 195 . 9 1 1 A 18 18 ASN CB C 18 39.600 40.701 -1.101 1
1 197 . 9 1 1 A 19 19 MET H H 19 8.260 8.764 -0.504 1
1 198 . 9 1 1 A 19 19 MET HA H 19 3.650 4.348 -0.698 1
1 206 . 9 1 1 A 19 19 MET CA C 19 61.100 57.839 3.261 1
1 207 . 9 1 1 A 19 19 MET CB C 19 32.900 32.727 0.173 1
1 210 . 9 1 1 A 19 19 MET N N 19 119.100 117.166 1.934 1
1 211 . 9 1 1 A 20 20 LEU H H 20 8.350 8.243 0.107 1
1 212 . 9 1 1 A 20 20 LEU HA H 20 4.220 4.191 0.029 1
1 222 . 9 1 1 A 20 20 LEU CA C 20 57.500 58.551 -1.051 1
1 223 . 9 1 1 A 20 20 LEU CB C 20 41.200 42.189 -0.989 1
1 227 . 9 1 1 A 20 20 LEU N N 20 120.400 123.666 -3.266 1
1 228 . 9 1 1 A 21 21 LEU H H 21 8.520 8.046 0.474 1
1 229 . 9 1 1 A 21 21 LEU HA H 21 3.910 4.105 -0.195 1
1 239 . 9 1 1 A 21 21 LEU CA C 21 59.200 57.636 1.564 1
1 240 . 9 1 1 A 21 21 LEU CB C 21 42.400 41.316 1.084 1
1 244 . 9 1 1 A 21 21 LEU N N 21 125.500 116.440 9.060 1
1 245 . 9 1 1 A 22 22 ARG H H 22 7.830 8.152 -0.322 1
1 246 . 9 1 1 A 22 22 ARG HA H 22 4.230 4.125 0.105 1
1 253 . 9 1 1 A 22 22 ARG CA C 22 57.300 59.665 -2.365 1
1 254 . 9 1 1 A 22 22 ARG CB C 22 28.800 29.553 -0.753 1
1 257 . 9 1 1 A 22 22 ARG N N 22 117.200 118.791 -1.591 1
1 258 . 9 1 1 A 23 23 PHE H H 23 9.380 8.268 1.112 1
1 259 . 9 1 1 A 23 23 PHE HA H 23 3.950 4.042 -0.092 1
1 267 . 9 1 1 A 23 23 PHE CA C 23 61.500 60.958 0.542 1
1 268 . 9 1 1 A 23 23 PHE CB C 23 40.200 38.912 1.288 1
1 272 . 9 1 1 A 23 23 PHE N N 23 118.500 121.984 -3.484 1
1 273 . 9 1 1 A 24 24 THR H H 24 8.600 8.275 0.325 1
1 274 . 9 1 1 A 24 24 THR HA H 24 4.030 3.789 0.241 1
1 279 . 9 1 1 A 24 24 THR CA C 24 68.000 65.295 2.705 1
1 280 . 9 1 1 A 24 24 THR CB C 24 67.400 68.746 -1.346 1
1 282 . 9 1 1 A 24 24 THR N N 24 115.400 113.508 1.892 1
1 283 . 9 1 1 A 25 25 LEU H H 25 8.200 7.526 0.674 1
1 284 . 9 1 1 A 25 25 LEU HA H 25 3.390 3.682 -0.292 1
1 294 . 9 1 1 A 25 25 LEU CA C 25 58.200 57.864 0.336 1
1 295 . 9 1 1 A 25 25 LEU CB C 25 42.200 41.626 0.574 1
1 299 . 9 1 1 A 25 25 LEU N N 25 124.500 121.832 2.668 1
1 300 . 9 1 1 A 26 26 GLY H H 26 8.520 8.117 0.403 1
1 301 . 9 1 1 A 26 26 GLY HA2 H 26 3.910 3.694 0.216 1
1 302 . 9 1 1 A 26 26 GLY HA3 H 26 3.570 3.758 -0.188 1
1 303 . 9 1 1 A 26 26 GLY CA C 26 48.400 46.918 1.482 1
1 304 . 9 1 1 A 26 26 GLY N N 26 104.600 105.297 -0.697 1
1 305 . 9 1 1 A 27 27 LYS H H 27 8.730 8.182 0.548 1
1 306 . 9 1 1 A 27 27 LYS HA H 27 2.970 3.463 -0.493 1
1 315 . 9 1 1 A 27 27 LYS CA C 27 59.100 58.099 1.001 1
1 316 . 9 1 1 A 27 27 LYS CB C 27 31.400 31.479 -0.079 1
1 320 . 9 1 1 A 27 27 LYS N N 27 121.200 121.262 -0.062 1
1 321 . 9 1 1 A 28 28 THR H H 28 7.420 7.215 0.205 1
1 322 . 9 1 1 A 28 28 THR HA H 28 3.680 3.795 -0.115 1
1 327 . 9 1 1 A 28 28 THR CA C 28 67.100 66.509 0.591 1
1 328 . 9 1 1 A 28 28 THR CB C 28 67.700 68.295 -0.595 1
1 330 . 9 1 1 A 28 28 THR N N 28 114.500 116.649 -2.149 1
1 331 . 9 1 1 A 29 29 TYR H H 29 8.220 7.290 0.930 1
1 332 . 9 1 1 A 29 29 TYR HA H 29 4.380 4.386 -0.006 1
1 339 . 9 1 1 A 29 29 TYR CA C 29 61.400 60.635 0.765 1
1 340 . 9 1 1 A 29 29 TYR CB C 29 37.100 37.224 -0.124 1
1 343 . 9 1 1 A 29 29 TYR N N 29 120.400 120.812 -0.412 1
1 344 . 9 1 1 A 30 30 ALA H H 30 8.500 8.407 0.093 1
1 345 . 9 1 1 A 30 30 ALA HA H 30 3.770 3.520 0.250 1
1 349 . 9 1 1 A 30 30 ALA CA C 30 56.000 55.102 0.898 1
1 350 . 9 1 1 A 30 30 ALA CB C 30 18.200 18.237 -0.037 1
1 351 . 9 1 1 A 30 30 ALA N N 30 123.300 123.157 0.143 1
1 352 . 9 1 1 A 31 31 GLU H H 31 8.940 8.172 0.768 1
1 353 . 9 1 1 A 31 31 GLU HA H 31 4.180 4.235 -0.055 1
1 358 . 9 1 1 A 31 31 GLU CA C 31 58.600 58.662 -0.062 1
1 359 . 9 1 1 A 31 31 GLU CB C 31 28.700 29.242 -0.542 1
1 361 . 9 1 1 A 31 31 GLU N N 31 120.700 119.264 1.436 1
1 362 . 9 1 1 A 32 32 HIS H H 32 7.340 7.460 -0.120 1
1 363 . 9 1 1 A 32 32 HIS HA H 32 4.740 4.584 0.156 1
1 368 . 9 1 1 A 32 32 HIS CA C 32 54.800 55.712 -0.912 1
1 369 . 9 1 1 A 32 32 HIS CB C 32 28.200 29.880 -1.680 1
1 372 . 9 1 1 A 32 32 HIS N N 32 115.300 116.071 -0.771 1
1 373 . 9 1 1 A 33 33 GLU H H 33 7.830 7.911 -0.081 1
1 374 . 9 1 1 A 33 33 GLU HA H 33 2.500 3.180 -0.680 1
1 379 . 9 1 1 A 33 33 GLU CA C 33 56.800 57.514 -0.714 1
1 380 . 9 1 1 A 33 33 GLU CB C 33 25.000 29.370 -4.370 1
1 382 . 9 1 1 A 33 33 GLU N N 33 112.200 117.968 -5.768 1
1 383 . 9 1 1 A 34 34 GLN H H 34 8.030 8.442 -0.412 1
1 384 . 9 1 1 A 34 34 GLN HA H 34 4.460 4.514 -0.054 1
1 391 . 9 1 1 A 34 34 GLN CA C 34 53.200 54.804 -1.604 1
1 392 . 9 1 1 A 34 34 GLN CB C 34 26.500 28.200 -1.700 1
1 394 . 9 1 1 A 34 34 GLN N N 34 121.000 118.603 2.397 1
1 396 . 9 1 1 A 35 35 PHE H H 35 7.050 7.703 -0.653 1
1 397 . 9 1 1 A 35 35 PHE HA H 35 4.180 4.213 -0.033 1
1 405 . 9 1 1 A 35 35 PHE CA C 35 60.700 61.138 -0.438 1
1 406 . 9 1 1 A 35 35 PHE CB C 35 38.200 38.574 -0.374 1
1 410 . 9 1 1 A 35 35 PHE N N 35 118.600 120.203 -1.603 1
1 411 . 9 1 1 A 36 36 ASP H H 36 8.410 8.378 0.032 1
1 412 . 9 1 1 A 36 36 ASP HA H 36 4.200 4.402 -0.202 1
1 415 . 9 1 1 A 36 36 ASP CA C 36 56.700 57.782 -1.082 1
1 416 . 9 1 1 A 36 36 ASP CB C 36 38.800 41.853 -3.053 1
1 417 . 9 1 1 A 36 36 ASP N N 36 117.000 120.354 -3.354 1
1 418 . 9 1 1 A 37 37 ALA H H 37 7.540 7.632 -0.092 1
1 419 . 9 1 1 A 37 37 ALA HA H 37 3.860 4.160 -0.300 1
1 423 . 9 1 1 A 37 37 ALA CA C 37 52.900 54.693 -1.793 1
1 424 . 9 1 1 A 37 37 ALA CB C 37 16.300 18.119 -1.819 1
1 425 . 9 1 1 A 37 37 ALA N N 37 120.900 120.788 0.112 1
1 426 . 9 1 1 A 38 38 ALA H H 38 7.700 7.737 -0.037 1
1 427 . 9 1 1 A 38 38 ALA HA H 38 4.210 4.235 -0.025 1
1 431 . 9 1 1 A 38 38 ALA CA C 38 55.100 55.156 -0.056 1
1 432 . 9 1 1 A 38 38 ALA CB C 38 20.500 18.355 2.145 1
1 433 . 9 1 1 A 38 38 ALA N N 38 117.600 121.061 -3.461 1
1 434 . 9 1 1 A 39 39 LEU H H 39 7.430 8.552 -1.122 1
1 435 . 9 1 1 A 39 39 LEU HA H 39 4.050 4.172 -0.122 1
1 445 . 9 1 1 A 39 39 LEU CA C 39 60.500 59.938 0.562 1
1 446 . 9 1 1 A 39 39 LEU CB C 39 39.200 40.103 -0.903 1
1 450 . 9 1 1 A 39 39 LEU N N 39 114.900 120.227 -5.327 1
1 451 . 9 1 1 A 40 40 PRO HA H 40 4.180 4.401 -0.221 1
1 458 . 9 1 1 A 40 40 PRO CA C 40 65.100 65.532 -0.432 1
1 459 . 9 1 1 A 40 40 PRO CB C 40 30.600 30.934 -0.334 1
1 462 . 9 1 1 A 41 41 HIS H H 41 6.570 7.630 -1.060 1
1 463 . 9 1 1 A 41 41 HIS HA H 41 4.740 4.273 0.467 1
1 468 . 9 1 1 A 41 41 HIS CA C 41 58.800 59.446 -0.646 1
1 469 . 9 1 1 A 41 41 HIS CB C 41 30.800 30.037 0.763 1
1 472 . 9 1 1 A 41 41 HIS N N 41 116.500 117.599 -1.099 1
1 473 . 9 1 1 A 42 42 LEU H H 42 8.140 8.845 -0.705 1
1 474 . 9 1 1 A 42 42 LEU HA H 42 4.120 3.918 0.202 1
1 484 . 9 1 1 A 42 42 LEU CA C 42 57.800 57.976 -0.176 1
1 485 . 9 1 1 A 42 42 LEU CB C 42 42.100 41.290 0.810 1
1 489 . 9 1 1 A 42 42 LEU N N 42 119.900 118.966 0.934 1
1 490 . 9 1 1 A 43 43 ARG H H 43 8.300 8.221 0.079 1
1 491 . 9 1 1 A 43 43 ARG HA H 43 3.740 3.934 -0.194 1
1 498 . 9 1 1 A 43 43 ARG CA C 43 59.700 59.590 0.110 1
1 499 . 9 1 1 A 43 43 ARG CB C 43 28.300 30.165 -1.865 1
1 502 . 9 1 1 A 43 43 ARG N N 43 116.400 120.293 -3.893 1
1 503 . 9 1 1 A 44 44 ALA H H 44 7.850 7.994 -0.144 1
1 504 . 9 1 1 A 44 44 ALA HA H 44 4.060 3.915 0.145 1
1 508 . 9 1 1 A 44 44 ALA CA C 44 54.600 54.837 -0.237 1
1 509 . 9 1 1 A 44 44 ALA CB C 44 17.000 18.213 -1.213 1
1 510 . 9 1 1 A 44 44 ALA N N 44 121.000 120.377 0.623 1
1 511 . 9 1 1 A 45 45 ALA H H 45 8.440 7.596 0.844 1
1 512 . 9 1 1 A 45 45 ALA HA H 45 4.270 4.411 -0.141 1
1 516 . 9 1 1 A 45 45 ALA CA C 45 56.200 55.177 1.023 1
1 517 . 9 1 1 A 45 45 ALA CB C 45 17.000 18.016 -1.016 1
1 518 . 9 1 1 A 45 45 ALA N N 45 121.200 120.565 0.635 1
1 519 . 9 1 1 A 46 46 LEU H H 46 7.310 8.052 -0.742 1
1 520 . 9 1 1 A 46 46 LEU HA H 46 4.010 4.084 -0.074 1
1 530 . 9 1 1 A 46 46 LEU CA C 46 55.900 57.972 -2.072 1
1 531 . 9 1 1 A 46 46 LEU CB C 46 42.200 41.505 0.695 1
1 535 . 9 1 1 A 46 46 LEU N N 46 116.800 119.471 -2.671 1
1 536 . 9 1 1 A 47 47 ASP H H 47 7.590 7.862 -0.272 1
1 537 . 9 1 1 A 47 47 ASP HA H 47 4.440 4.294 0.146 1
1 540 . 9 1 1 A 47 47 ASP CA C 47 55.500 57.010 -1.510 1
1 541 . 9 1 1 A 47 47 ASP CB C 47 39.200 40.301 -1.101 1
1 542 . 9 1 1 A 47 47 ASP N N 47 118.900 119.569 -0.669 1
1 543 . 9 1 1 A 48 48 PHE H H 48 7.490 7.825 -0.335 1
1 544 . 9 1 1 A 48 48 PHE HA H 48 4.450 4.316 0.134 1
1 552 . 9 1 1 A 48 48 PHE CA C 48 61.200 59.807 1.393 1
1 553 . 9 1 1 A 48 48 PHE CB C 48 39.600 39.496 0.104 1
1 557 . 9 1 1 A 48 48 PHE N N 48 117.200 117.336 -0.136 1
1 558 . 9 1 1 A 49 49 ASP H H 49 7.790 8.174 -0.384 1
1 559 . 9 1 1 A 49 49 ASP HA H 49 4.980 5.059 -0.079 1
1 562 . 9 1 1 A 49 49 ASP CA C 49 51.000 51.789 -0.789 1
1 563 . 9 1 1 A 49 49 ASP CB C 49 41.800 41.464 0.336 1
1 564 . 9 1 1 A 49 49 ASP N N 49 113.500 117.379 -3.879 1
1 565 . 9 1 1 A 50 50 PRO HA H 50 4.780 4.612 0.168 1
1 572 . 9 1 1 A 50 50 PRO CA C 50 64.000 64.209 -0.209 1
1 573 . 9 1 1 A 50 50 PRO CB C 50 32.000 31.990 0.010 1
1 576 . 9 1 1 A 51 51 THR H H 51 8.640 7.852 0.788 1
1 577 . 9 1 1 A 51 51 THR HA H 51 4.620 4.520 0.100 1
1 582 . 9 1 1 A 51 51 THR CA C 51 60.900 62.337 -1.437 1
1 583 . 9 1 1 A 51 51 THR CB C 51 68.600 69.082 -0.482 1
1 585 . 9 1 1 A 51 51 THR N N 51 111.900 108.249 3.651 1
1 586 . 9 1 1 A 52 52 TYR H H 52 7.350 7.506 -0.156 1
1 587 . 9 1 1 A 52 52 TYR HA H 52 4.820 4.421 0.399 1
1 594 . 9 1 1 A 52 52 TYR CA C 52 56.100 55.774 0.326 1
1 595 . 9 1 1 A 52 52 TYR CB C 52 35.900 37.187 -1.287 1
1 598 . 9 1 1 A 52 52 TYR N N 52 122.600 123.667 -1.067 1
1 599 . 9 1 1 A 53 53 SER H H 53 8.480 7.715 0.765 1
1 600 . 9 1 1 A 53 53 SER HA H 53 4.170 1.528 2.642 1
1 603 . 9 1 1 A 53 53 SER CA C 53 62.900 61.351 1.549 1
1 604 . 9 1 1 A 53 53 SER CB C 53 62.900 62.363 0.537 1
1 605 . 9 1 1 A 53 53 SER N N 53 127.100 121.831 5.269 1
1 606 . 9 1 1 A 54 54 VAL H H 54 7.860 7.661 0.199 1
1 607 . 9 1 1 A 54 54 VAL HA H 54 3.850 3.668 0.182 1
1 615 . 9 1 1 A 54 54 VAL CA C 54 65.500 66.495 -0.995 1
1 616 . 9 1 1 A 54 54 VAL CB C 54 31.200 31.410 -0.210 1
1 619 . 9 1 1 A 54 54 VAL N N 54 116.800 121.380 -4.580 1
1 620 . 9 1 1 A 55 55 ALA H H 55 7.120 7.925 -0.805 1
1 621 . 9 1 1 A 55 55 ALA HA H 55 4.490 4.431 0.059 1
1 625 . 9 1 1 A 55 55 ALA CA C 55 55.700 55.084 0.616 1
1 626 . 9 1 1 A 55 55 ALA CB C 55 16.700 18.266 -1.566 1
1 627 . 9 1 1 A 55 55 ALA N N 55 123.000 121.130 1.870 1
1 628 . 9 1 1 A 56 56 TRP H H 56 7.340 7.417 -0.077 1
1 629 . 9 1 1 A 56 56 TRP HA H 56 4.160 4.565 -0.405 1
1 638 . 9 1 1 A 56 56 TRP CA C 56 60.700 59.952 0.748 1
1 639 . 9 1 1 A 56 56 TRP CB C 56 30.100 29.047 1.053 1
1 645 . 9 1 1 A 56 56 TRP N N 56 119.300 118.344 0.956 1
1 647 . 9 1 1 A 57 57 LYS H H 57 8.330 7.891 0.439 1
1 648 . 9 1 1 A 57 57 LYS HA H 57 3.970 4.214 -0.244 1
1 657 . 9 1 1 A 57 57 LYS CA C 57 59.300 59.404 -0.104 1
1 658 . 9 1 1 A 57 57 LYS CB C 57 34.400 32.170 2.230 1
1 662 . 9 1 1 A 57 57 LYS N N 57 117.700 120.327 -2.627 1
1 663 . 9 1 1 A 58 58 TRP H H 58 8.170 8.075 0.095 1
1 664 . 9 1 1 A 58 58 TRP HA H 58 4.230 4.651 -0.421 1
1 673 . 9 1 1 A 58 58 TRP CA C 58 61.600 60.170 1.430 1
1 674 . 9 1 1 A 58 58 TRP CB C 58 29.000 29.735 -0.735 1
1 680 . 9 1 1 A 58 58 TRP N N 58 119.100 120.298 -1.198 1
1 682 . 9 1 1 A 59 59 LEU H H 59 9.500 8.701 0.799 1
1 683 . 9 1 1 A 59 59 LEU HA H 59 4.090 4.067 0.023 1
1 693 . 9 1 1 A 59 59 LEU CA C 59 58.500 58.089 0.411 1
1 694 . 9 1 1 A 59 59 LEU CB C 59 41.300 42.093 -0.793 1
1 698 . 9 1 1 A 59 59 LEU N N 59 127.300 121.668 5.632 1
1 699 . 9 1 1 A 60 60 GLY H H 60 8.480 7.792 0.688 1
1 700 . 9 1 1 A 60 60 GLY HA2 H 60 3.050 2.597 0.453 1
1 701 . 9 1 1 A 60 60 GLY HA3 H 60 2.250 3.203 -0.953 1
1 702 . 9 1 1 A 60 60 GLY CA C 60 47.500 46.539 0.961 1
1 703 . 9 1 1 A 60 60 GLY N N 60 105.100 105.982 -0.882 1
1 704 . 9 1 1 A 61 61 LYS H H 61 7.680 7.464 0.216 1
1 705 . 9 1 1 A 61 61 LYS HA H 61 3.890 3.996 -0.106 1
1 714 . 9 1 1 A 61 61 LYS CA C 61 59.300 59.359 -0.059 1
1 715 . 9 1 1 A 61 61 LYS CB C 61 32.000 32.225 -0.225 1
1 719 . 9 1 1 A 61 61 LYS N N 61 118.600 122.167 -3.567 1
1 720 . 9 1 1 A 62 62 THR H H 62 8.030 7.911 0.119 1
1 721 . 9 1 1 A 62 62 THR HA H 62 3.780 3.960 -0.180 1
1 726 . 9 1 1 A 62 62 THR CA C 62 67.400 67.090 0.310 1
1 727 . 9 1 1 A 62 62 THR CB C 62 66.300 68.058 -1.758 1
1 729 . 9 1 1 A 62 62 THR N N 62 120.100 118.154 1.946 1
1 730 . 9 1 1 A 63 63 LEU H H 63 8.090 8.052 0.038 1
1 731 . 9 1 1 A 63 63 LEU HA H 63 4.080 3.849 0.231 1
1 741 . 9 1 1 A 63 63 LEU CA C 63 57.800 57.662 0.138 1
1 742 . 9 1 1 A 63 63 LEU CB C 63 40.800 40.901 -0.101 1
1 746 . 9 1 1 A 63 63 LEU N N 63 121.400 121.241 0.159 1
1 747 . 9 1 1 A 64 64 GLN H H 64 8.300 7.878 0.422 1
1 748 . 9 1 1 A 64 64 GLN HA H 64 3.400 3.875 -0.475 1
1 755 . 9 1 1 A 64 64 GLN CA C 64 59.300 59.514 -0.214 1
1 756 . 9 1 1 A 64 64 GLN CB C 64 28.100 27.839 0.261 1
1 758 . 9 1 1 A 64 64 GLN N N 64 119.500 118.186 1.314 1
1 760 . 9 1 1 A 65 65 GLY H H 65 7.720 7.807 -0.087 1
1 761 . 9 1 1 A 65 65 GLY HA2 H 65 2.300 2.878 -0.578 1
1 762 . 9 1 1 A 65 65 GLY HA3 H 65 3.430 3.549 -0.119 1
1 763 . 9 1 1 A 65 65 GLY CA C 65 46.000 46.380 -0.380 1
1 764 . 9 1 1 A 65 65 GLY N N 65 110.300 106.899 3.401 1
1 765 . 9 1 1 A 66 66 GLN H H 66 7.250 7.094 0.156 1
1 766 . 9 1 1 A 66 66 GLN HA H 66 4.270 4.342 -0.072 1
1 773 . 9 1 1 A 66 66 GLN CA C 66 55.900 56.824 -0.924 1
1 774 . 9 1 1 A 66 66 GLN CB C 66 30.000 29.205 0.795 1
1 776 . 9 1 1 A 66 66 GLN N N 66 117.500 120.203 -2.703 1
1 778 . 9 1 1 A 67 67 GLY H H 67 7.800 7.525 0.275 1
1 779 . 9 1 1 A 67 67 GLY HA2 H 67 4.230 4.005 0.225 1
1 780 . 9 1 1 A 67 67 GLY HA3 H 67 3.660 4.014 -0.354 1
1 781 . 9 1 1 A 67 67 GLY CA C 67 44.800 45.176 -0.376 1
1 782 . 9 1 1 A 67 67 GLY N N 67 107.400 106.842 0.558 1
1 783 . 9 1 1 A 68 68 ASP H H 68 8.100 7.831 0.269 1
1 784 . 9 1 1 A 68 68 ASP HA H 68 4.780 4.699 0.081 1
1 787 . 9 1 1 A 68 68 ASP CA C 68 51.100 53.017 -1.917 1
1 788 . 9 1 1 A 68 68 ASP CB C 68 38.800 39.875 -1.075 1
1 789 . 9 1 1 A 68 68 ASP N N 68 121.600 121.099 0.501 1
1 790 . 9 1 1 A 69 69 ARG H H 69 7.770 8.674 -0.904 1
1 791 . 9 1 1 A 69 69 ARG HA H 69 3.650 4.004 -0.354 1
1 798 . 9 1 1 A 69 69 ARG CA C 69 59.800 58.688 1.112 1
1 799 . 9 1 1 A 69 69 ARG CB C 69 28.700 29.991 -1.291 1
1 802 . 9 1 1 A 69 69 ARG N N 69 123.700 126.058 -2.358 1
1 803 . 9 1 1 A 70 70 ALA H H 70 8.490 8.215 0.275 1
1 804 . 9 1 1 A 70 70 ALA HA H 70 4.040 4.090 -0.050 1
1 808 . 9 1 1 A 70 70 ALA CA C 70 54.700 54.944 -0.244 1
1 809 . 9 1 1 A 70 70 ALA CB C 70 17.800 18.395 -0.595 1
1 810 . 9 1 1 A 70 70 ALA N N 70 122.400 122.953 -0.553 1
1 811 . 9 1 1 A 71 71 GLY H H 71 8.540 8.291 0.249 1
1 812 . 9 1 1 A 71 71 GLY HA2 H 71 3.570 3.717 -0.147 1
1 813 . 9 1 1 A 71 71 GLY HA3 H 71 3.710 3.731 -0.021 1
1 814 . 9 1 1 A 71 71 GLY CA C 71 47.100 46.819 0.281 1
1 815 . 9 1 1 A 71 71 GLY N N 71 109.100 105.316 3.784 1
1 816 . 9 1 1 A 72 72 ALA H H 72 8.060 7.675 0.385 1
1 817 . 9 1 1 A 72 72 ALA HA H 72 3.310 3.462 -0.152 1
1 821 . 9 1 1 A 72 72 ALA CA C 72 55.200 54.604 0.596 1
1 822 . 9 1 1 A 72 72 ALA CB C 72 17.200 18.218 -1.018 1
1 823 . 9 1 1 A 72 72 ALA N N 72 126.600 124.677 1.923 1
1 824 . 9 1 1 A 73 73 ARG H H 73 7.840 8.157 -0.317 1
1 825 . 9 1 1 A 73 73 ARG HA H 73 3.760 4.346 -0.586 1
1 832 . 9 1 1 A 73 73 ARG CA C 73 59.700 59.104 0.596 1
1 833 . 9 1 1 A 73 73 ARG CB C 73 29.800 30.130 -0.330 1
1 836 . 9 1 1 A 73 73 ARG N N 73 116.300 117.065 -0.765 1
1 837 . 9 1 1 A 74 74 GLN H H 74 7.690 7.954 -0.264 1
1 838 . 9 1 1 A 74 74 GLN HA H 74 3.970 4.079 -0.109 1
1 845 . 9 1 1 A 74 74 GLN CA C 74 58.800 58.944 -0.144 1
1 846 . 9 1 1 A 74 74 GLN CB C 74 28.400 28.722 -0.322 1
1 848 . 9 1 1 A 74 74 GLN N N 74 116.500 119.282 -2.782 1
1 850 . 9 1 1 A 75 75 ALA H H 75 8.160 7.679 0.481 1
1 851 . 9 1 1 A 75 75 ALA HA H 75 4.350 4.050 0.300 1
1 855 . 9 1 1 A 75 75 ALA CA C 75 54.400 54.976 -0.576 1
1 856 . 9 1 1 A 75 75 ALA CB C 75 17.600 17.994 -0.394 1
1 857 . 9 1 1 A 75 75 ALA N N 75 121.900 121.640 0.260 1
1 858 . 9 1 1 A 76 76 TRP H H 76 8.640 8.095 0.545 1
1 859 . 9 1 1 A 76 76 TRP HA H 76 4.640 4.518 0.122 1
1 868 . 9 1 1 A 76 76 TRP CA C 76 58.200 59.838 -1.638 1
1 869 . 9 1 1 A 76 76 TRP CB C 76 27.600 29.193 -1.593 1
1 875 . 9 1 1 A 76 76 TRP N N 76 118.400 119.019 -0.619 1
1 877 . 9 1 1 A 77 77 GLU H H 77 9.050 9.060 -0.010 1
1 878 . 9 1 1 A 77 77 GLU HA H 77 4.010 3.986 0.024 1
1 883 . 9 1 1 A 77 77 GLU CA C 77 58.900 59.829 -0.929 1
1 884 . 9 1 1 A 77 77 GLU CB C 77 28.100 29.417 -1.317 1
1 886 . 9 1 1 A 77 77 GLU N N 77 121.000 120.016 0.984 1
1 887 . 9 1 1 A 78 78 SER H H 78 8.280 8.100 0.180 1
1 888 . 9 1 1 A 78 78 SER HA H 78 3.800 4.191 -0.391 1
1 891 . 9 1 1 A 78 78 SER CA C 78 62.400 62.679 -0.279 1
1 892 . 9 1 1 A 78 78 SER CB C 78 68.000 62.462 5.538 1
1 893 . 9 1 1 A 78 78 SER N N 78 120.000 117.878 2.122 1
1 894 . 9 1 1 A 79 79 GLY H H 79 8.580 8.638 -0.058 1
1 895 . 9 1 1 A 79 79 GLY HA2 H 79 3.470 3.490 -0.020 1
1 896 . 9 1 1 A 79 79 GLY HA3 H 79 3.580 3.859 -0.279 1
1 897 . 9 1 1 A 79 79 GLY CA C 79 47.000 46.849 0.151 1
1 898 . 9 1 1 A 79 79 GLY N N 79 111.000 109.430 1.570 1
1 899 . 9 1 1 A 80 80 LEU H H 80 8.640 8.503 0.137 1
1 900 . 9 1 1 A 80 80 LEU HA H 80 3.830 4.129 -0.299 1
1 910 . 9 1 1 A 80 80 LEU CA C 80 58.200 57.685 0.515 1
1 911 . 9 1 1 A 80 80 LEU CB C 80 41.800 41.639 0.161 1
1 915 . 9 1 1 A 80 80 LEU N N 80 125.600 123.208 2.392 1
1 916 . 9 1 1 A 81 81 ALA H H 81 7.400 8.106 -0.706 1
1 917 . 9 1 1 A 81 81 ALA HA H 81 4.140 3.927 0.213 1
1 921 . 9 1 1 A 81 81 ALA CA C 81 54.600 55.071 -0.471 1
1 922 . 9 1 1 A 81 81 ALA CB C 81 17.500 18.235 -0.735 1
1 923 . 9 1 1 A 81 81 ALA N N 81 120.400 120.761 -0.361 1
1 924 . 9 1 1 A 82 82 ALA H H 82 7.640 7.867 -0.227 1
1 925 . 9 1 1 A 82 82 ALA HA H 82 4.160 3.866 0.294 1
1 929 . 9 1 1 A 82 82 ALA CA C 82 54.700 54.670 0.030 1
1 930 . 9 1 1 A 82 82 ALA CB C 82 17.200 18.124 -0.924 1
1 931 . 9 1 1 A 82 82 ALA N N 82 120.900 120.101 0.799 1
1 932 . 9 1 1 A 83 83 ALA H H 83 8.910 8.216 0.694 1
1 933 . 9 1 1 A 83 83 ALA HA H 83 4.260 4.329 -0.069 1
1 937 . 9 1 1 A 83 83 ALA CA C 83 54.900 55.713 -0.813 1
1 938 . 9 1 1 A 83 83 ALA CB C 83 18.600 17.617 0.983 1
1 939 . 9 1 1 A 83 83 ALA N N 83 122.000 119.779 2.221 1
1 940 . 9 1 1 A 84 84 GLN H H 84 8.770 8.401 0.369 1
1 941 . 9 1 1 A 84 84 GLN HA H 84 3.940 4.090 -0.150 1
1 948 . 9 1 1 A 84 84 GLN CA C 84 58.800 58.996 -0.196 1
1 949 . 9 1 1 A 84 84 GLN CB C 84 28.200 28.331 -0.131 1
1 951 . 9 1 1 A 84 84 GLN N N 84 118.400 118.535 -0.135 1
1 953 . 9 1 1 A 85 85 SER H H 85 7.920 8.392 -0.472 1
1 954 . 9 1 1 A 85 85 SER HA H 85 4.250 4.154 0.096 1
1 957 . 9 1 1 A 85 85 SER CA C 85 61.200 61.132 0.068 1
1 958 . 9 1 1 A 85 85 SER CB C 85 62.700 63.134 -0.434 1
1 959 . 9 1 1 A 85 85 SER N N 85 115.200 115.358 -0.158 1
1 960 . 9 1 1 A 86 86 ARG H H 86 7.590 7.616 -0.026 1
1 961 . 9 1 1 A 86 86 ARG HA H 86 4.380 4.433 -0.053 1
1 968 . 9 1 1 A 86 86 ARG CA C 86 55.800 55.822 -0.022 1
1 969 . 9 1 1 A 86 86 ARG CB C 86 31.200 31.000 0.200 1
1 972 . 9 1 1 A 86 86 ARG N N 86 117.800 117.399 0.401 1
1 973 . 9 1 1 A 87 87 GLY H H 87 7.790 7.876 -0.086 1
1 974 . 9 1 1 A 87 87 GLY HA2 H 87 3.870 3.976 -0.106 1
1 975 . 9 1 1 A 87 87 GLY HA3 H 87 4.080 3.977 0.103 1
1 976 . 9 1 1 A 87 87 GLY CA C 87 46.100 46.109 -0.009 1
1 977 . 9 1 1 A 87 87 GLY N N 87 109.100 108.921 0.179 1
1 978 . 9 1 1 A 88 88 ASP H H 88 8.210 8.531 -0.321 1
1 979 . 9 1 1 A 88 88 ASP HA H 88 4.830 4.850 -0.020 1
1 982 . 9 1 1 A 88 88 ASP CA C 88 52.100 52.584 -0.484 1
1 983 . 9 1 1 A 88 88 ASP CB C 88 39.000 39.679 -0.679 1
1 984 . 9 1 1 A 88 88 ASP N N 88 120.200 120.846 -0.646 1
1 985 . 9 1 1 A 89 89 GLN H H 89 8.110 8.580 -0.470 1
1 986 . 9 1 1 A 89 89 GLN HA H 89 3.840 4.071 -0.231 1
1 993 . 9 1 1 A 89 89 GLN CA C 89 58.500 59.158 -0.658 1
1 994 . 9 1 1 A 89 89 GLN CB C 89 28.000 28.225 -0.225 1
1 996 . 9 1 1 A 89 89 GLN N N 89 122.400 122.783 -0.383 1
1 998 . 9 1 1 A 90 90 GLN H H 90 8.720 7.938 0.782 1
1 999 . 9 1 1 A 90 90 GLN HA H 90 4.000 4.087 -0.087 1
1 1006 . 9 1 1 A 90 90 GLN CA C 90 58.800 58.714 0.086 1
1 1007 . 9 1 1 A 90 90 GLN CB C 90 27.800 28.431 -0.631 1
1 1009 . 9 1 1 A 90 90 GLN N N 90 119.100 120.117 -1.017 1
1 1011 . 9 1 1 A 91 91 VAL H H 91 7.170 7.986 -0.816 1
1 1012 . 9 1 1 A 91 91 VAL HA H 91 3.660 3.660 0.000 1
1 1020 . 9 1 1 A 91 91 VAL CA C 91 65.500 66.323 -0.823 1
1 1021 . 9 1 1 A 91 91 VAL CB C 91 31.300 31.649 -0.349 1
1 1024 . 9 1 1 A 91 91 VAL N N 91 119.900 119.623 0.277 1
1 1025 . 9 1 1 A 92 92 VAL H H 92 7.880 7.835 0.045 1
1 1026 . 9 1 1 A 92 92 VAL HA H 92 3.240 3.579 -0.339 1
1 1034 . 9 1 1 A 92 92 VAL CA C 92 67.300 66.868 0.432 1
1 1035 . 9 1 1 A 92 92 VAL CB C 92 31.500 31.342 0.158 1
1 1038 . 9 1 1 A 92 92 VAL N N 92 119.900 120.713 -0.813 1
1 1039 . 9 1 1 A 93 93 LYS H H 93 7.480 8.050 -0.570 1
1 1040 . 9 1 1 A 93 93 LYS HA H 93 3.920 3.883 0.037 1
1 1049 . 9 1 1 A 93 93 LYS CA C 93 59.300 60.164 -0.864 1
1 1050 . 9 1 1 A 93 93 LYS CB C 93 31.900 32.023 -0.123 1
1 1054 . 9 1 1 A 93 93 LYS N N 93 116.000 118.722 -2.722 1
1 1055 . 9 1 1 A 94 94 GLU H H 94 7.480 8.146 -0.666 1
1 1056 . 9 1 1 A 94 94 GLU HA H 94 3.580 4.047 -0.467 1
1 1061 . 9 1 1 A 94 94 GLU CA C 94 58.600 58.917 -0.317 1
1 1062 . 9 1 1 A 94 94 GLU CB C 94 29.500 29.477 0.023 1
1 1064 . 9 1 1 A 94 94 GLU N N 94 117.500 120.650 -3.150 1
1 1065 . 9 1 1 A 95 95 LEU H H 95 8.370 8.765 -0.395 1
1 1066 . 9 1 1 A 95 95 LEU HA H 95 3.530 4.216 -0.686 1
1 1076 . 9 1 1 A 95 95 LEU CA C 95 57.600 57.789 -0.189 1
1 1077 . 9 1 1 A 95 95 LEU CB C 95 40.900 41.004 -0.104 1
1 1081 . 9 1 1 A 95 95 LEU N N 95 117.500 120.040 -2.540 1
1 1082 . 9 1 1 A 96 96 GLN H H 96 8.330 8.180 0.150 1
1 1083 . 9 1 1 A 96 96 GLN HA H 96 3.980 3.947 0.033 1
1 1090 . 9 1 1 A 96 96 GLN CA C 96 58.900 59.011 -0.111 1
1 1091 . 9 1 1 A 96 96 GLN CB C 96 28.100 28.101 -0.001 1
1 1093 . 9 1 1 A 96 96 GLN N N 96 117.600 119.895 -2.295 1
1 1095 . 9 1 1 A 97 97 VAL H H 97 7.450 7.381 0.069 1
1 1096 . 9 1 1 A 97 97 VAL HA H 97 3.450 3.469 -0.019 1
1 1104 . 9 1 1 A 97 97 VAL CA C 97 66.700 66.065 0.635 1
1 1105 . 9 1 1 A 97 97 VAL CB C 97 31.000 31.105 -0.105 1
1 1108 . 9 1 1 A 97 97 VAL N N 97 120.300 118.583 1.717 1
1 1109 . 9 1 1 A 98 98 PHE H H 98 7.460 7.405 0.055 1
1 1110 . 9 1 1 A 98 98 PHE HA H 98 3.980 3.991 -0.011 1
1 1118 . 9 1 1 A 98 98 PHE CA C 98 58.700 60.496 -1.796 1
1 1119 . 9 1 1 A 98 98 PHE CB C 98 35.500 37.751 -2.251 1
1 1123 . 9 1 1 A 98 98 PHE N N 98 119.100 118.350 0.750 1
1 1124 . 9 1 1 A 99 99 LEU H H 99 8.330 7.879 0.451 1
1 1125 . 9 1 1 A 99 99 LEU HA H 99 4.090 3.955 0.135 1
1 1135 . 9 1 1 A 99 99 LEU CA C 99 57.800 57.655 0.145 1
1 1136 . 9 1 1 A 99 99 LEU CB C 99 41.800 40.848 0.952 1
1 1140 . 9 1 1 A 99 99 LEU N N 99 119.300 119.498 -0.198 1
1 1141 . 9 1 1 A 100 100 ARG H H 100 8.350 8.182 0.168 1
1 1142 . 9 1 1 A 100 100 ARG HA H 100 4.110 3.977 0.133 1
1 1149 . 9 1 1 A 100 100 ARG CA C 100 59.300 59.450 -0.150 1
1 1150 . 9 1 1 A 100 100 ARG CB C 100 29.900 30.029 -0.129 1
1 1153 . 9 1 1 A 100 100 ARG N N 100 121.900 119.699 2.201 1
1 1154 . 9 1 1 A 101 101 ARG H H 101 8.110 7.303 0.807 1
1 1155 . 9 1 1 A 101 101 ARG HA H 101 4.020 4.174 -0.154 1
1 1162 . 9 1 1 A 101 101 ARG CA C 101 57.600 58.416 -0.816 1
1 1163 . 9 1 1 A 101 101 ARG CB C 101 30.200 29.827 0.373 1
1 1166 . 9 1 1 A 101 101 ARG N N 101 120.500 119.948 0.552 1
1 1167 . 9 1 1 A 102 102 LEU H H 102 7.890 8.118 -0.228 1
1 1168 . 9 1 1 A 102 102 LEU HA H 102 4.150 4.190 -0.040 1
1 1178 . 9 1 1 A 102 102 LEU CA C 102 57.600 57.965 -0.365 1
1 1179 . 9 1 1 A 102 102 LEU CB C 102 42.300 41.316 0.984 1
1 1183 . 9 1 1 A 102 102 LEU N N 102 119.900 121.393 -1.493 1
1 1184 . 9 1 1 A 103 103 ALA H H 103 7.880 8.846 -0.966 1
1 1185 . 9 1 1 A 103 103 ALA HA H 103 4.170 4.004 0.166 1
1 1189 . 9 1 1 A 103 103 ALA CA C 103 54.700 54.960 -0.260 1
1 1190 . 9 1 1 A 103 103 ALA CB C 103 17.800 18.205 -0.405 1
1 1191 . 9 1 1 A 103 103 ALA N N 103 120.000 120.852 -0.852 1
1 1192 . 9 1 1 A 104 104 ARG H H 104 8.060 7.392 0.668 1
1 1193 . 9 1 1 A 104 104 ARG HA H 104 4.130 4.109 0.021 1
1 1200 . 9 1 1 A 104 104 ARG CA C 104 58.500 59.686 -1.186 1
1 1201 . 9 1 1 A 104 104 ARG CB C 104 29.800 29.969 -0.169 1
1 1204 . 9 1 1 A 104 104 ARG N N 104 119.800 117.613 2.187 1
1 1205 . 9 1 1 A 105 105 GLU H H 105 8.050 8.311 -0.261 1
1 1206 . 9 1 1 A 105 105 GLU HA H 105 4.020 4.055 -0.035 1
1 1211 . 9 1 1 A 105 105 GLU CA C 105 58.500 59.338 -0.838 1
1 1212 . 9 1 1 A 105 105 GLU CB C 105 28.900 29.250 -0.350 1
1 1214 . 9 1 1 A 105 105 GLU N N 105 119.700 120.117 -0.417 1
1 1215 . 9 1 1 A 106 106 ASP H H 106 8.360 8.365 -0.005 1
1 1216 . 9 1 1 A 106 106 ASP HA H 106 4.380 4.348 0.032 1
1 1219 . 9 1 1 A 106 106 ASP CA C 106 56.500 57.465 -0.965 1
1 1220 . 9 1 1 A 106 106 ASP CB C 106 40.500 41.132 -0.632 1
1 1221 . 9 1 1 A 106 106 ASP N N 106 119.800 119.928 -0.128 1
1 1222 . 9 1 1 A 107 107 ALA H H 107 7.910 8.394 -0.484 1
1 1223 . 9 1 1 A 107 107 ALA HA H 107 4.150 4.182 -0.032 1
1 1227 . 9 1 1 A 107 107 ALA CA C 107 54.200 55.225 -1.025 1
1 1228 . 9 1 1 A 107 107 ALA CB C 107 18.100 18.270 -0.170 1
1 1229 . 9 1 1 A 107 107 ALA N N 107 121.900 121.832 0.068 1
1 1230 . 9 1 1 A 108 108 LEU H H 108 7.840 7.904 -0.064 1
1 1231 . 9 1 1 A 108 108 LEU HA H 108 4.120 4.047 0.073 1
1 1241 . 9 1 1 A 108 108 LEU CA C 108 56.400 57.996 -1.596 1
1 1242 . 9 1 1 A 108 108 LEU CB C 108 42.000 41.348 0.652 1
1 1246 . 9 1 1 A 108 108 LEU N N 108 119.000 118.986 0.014 1
1 1247 . 9 1 1 A 109 109 GLU H H 109 7.860 7.854 0.006 1
1 1248 . 9 1 1 A 109 109 GLU HA H 109 4.090 4.438 -0.348 1
1 1253 . 9 1 1 A 109 109 GLU CA C 109 57.000 56.614 0.386 1
1 1254 . 9 1 1 A 109 109 GLU CB C 109 29.100 30.253 -1.153 1
1 1256 . 9 1 1 A 109 109 GLU N N 109 118.600 115.171 3.429 1
1 1257 . 9 1 1 A 110 110 HIS H H 110 8.140 7.880 0.260 1
1 1258 . 9 1 1 A 110 110 HIS HA H 110 4.560 4.878 -0.318 1
1 1261 . 9 1 1 A 110 110 HIS CA C 110 55.600 56.449 -0.849 1
1 1262 . 9 1 1 A 110 110 HIS CB C 110 28.300 31.543 -3.243 1
1 1263 . 9 1 1 A 110 110 HIS N N 110 117.000 116.121 0.879 1
1 1264 . 9 1 1 A 111 111 HIS H H 111 8.340 7.555 0.785 1
1 1265 . 9 1 1 A 111 111 HIS HA H 111 4.600 4.761 -0.161 1
1 1268 . 9 1 1 A 111 111 HIS CA C 111 55.500 55.779 -0.279 1
1 1269 . 9 1 1 A 111 111 HIS CB C 111 28.500 30.976 -2.476 1
1 1270 . 9 1 1 A 111 111 HIS N N 111 117.800 118.346 -0.546 1
1 1271 . 9 1 1 A 112 112 HIS H H 112 8.530 8.526 0.004 1
1 1272 . 9 1 1 A 112 112 HIS HA H 112 4.620 4.483 0.137 1
1 1275 . 9 1 1 A 112 112 HIS CA C 112 55.300 55.773 -0.473 1
1 1276 . 9 1 1 A 112 112 HIS CB C 112 28.800 30.836 -2.036 1
1 1277 . 9 1 1 A 112 112 HIS N N 112 119.000 121.699 -2.699 1
1 1278 . 9 1 1 A 113 113 HIS H H 113 8.660 7.087 1.573 1
1 1279 . 9 1 1 A 113 113 HIS HA H 113 4.640 4.775 -0.135 1
1 1282 . 9 1 1 A 113 113 HIS CA C 113 55.200 54.215 0.985 1
1 1283 . 9 1 1 A 113 113 HIS CB C 113 28.900 33.449 -4.549 1
1 1284 . 9 1 1 A 113 113 HIS N N 113 120.000 116.280 3.720 1
1 1285 . 9 1 1 A 114 114 HIS H H 114 8.630 8.849 -0.219 1
1 1286 . 9 1 1 A 114 114 HIS HA H 114 4.610 4.934 -0.324 1
1 1289 . 9 1 1 A 114 114 HIS CA C 114 55.200 54.568 0.632 1
1 1290 . 9 1 1 A 114 114 HIS CB C 114 28.900 31.178 -2.278 1
1 1291 . 9 1 1 A 114 114 HIS N N 114 120.800 121.972 -1.172 1
1 9 . 10 1 1 A 2 2 GLN H H 2 8.840 8.493 0.347 1
1 10 . 10 1 1 A 2 2 GLN HA H 2 4.310 4.607 -0.297 1
1 17 . 10 1 1 A 2 2 GLN CA C 2 55.600 55.512 0.088 1
1 18 . 10 1 1 A 2 2 GLN CB C 2 29.900 33.124 -3.224 1
1 20 . 10 1 1 A 2 2 GLN N N 2 124.000 122.439 1.561 1
1 22 . 10 1 1 A 3 3 ALA H H 3 8.780 8.607 0.173 1
1 23 . 10 1 1 A 3 3 ALA HA H 3 4.240 4.258 -0.018 1
1 27 . 10 1 1 A 3 3 ALA CA C 3 52.600 51.258 1.342 1
1 28 . 10 1 1 A 3 3 ALA CB C 3 18.800 18.300 0.500 1
1 29 . 10 1 1 A 3 3 ALA N N 3 127.500 126.756 0.744 1
1 30 . 10 1 1 A 4 4 ILE H H 4 8.490 8.421 0.069 1
1 31 . 10 1 1 A 4 4 ILE HA H 4 3.820 3.721 0.099 1
1 41 . 10 1 1 A 4 4 ILE CA C 4 63.700 64.762 -1.062 1
1 42 . 10 1 1 A 4 4 ILE CB C 4 37.800 37.274 0.526 1
1 46 . 10 1 1 A 4 4 ILE N N 4 120.900 123.944 -3.044 1
1 47 . 10 1 1 A 5 5 THR H H 5 7.730 8.028 -0.298 1
1 48 . 10 1 1 A 5 5 THR HA H 5 3.540 3.784 -0.244 1
1 53 . 10 1 1 A 5 5 THR CA C 5 64.700 65.641 -0.941 1
1 54 . 10 1 1 A 5 5 THR CB C 5 66.700 68.022 -1.322 1
1 56 . 10 1 1 A 5 5 THR N N 5 110.700 113.265 -2.565 1
1 57 . 10 1 1 A 6 6 GLU H H 6 7.220 7.727 -0.507 1
1 58 . 10 1 1 A 6 6 GLU HA H 6 3.940 4.120 -0.180 1
1 63 . 10 1 1 A 6 6 GLU CA C 6 59.200 59.360 -0.160 1
1 64 . 10 1 1 A 6 6 GLU CB C 6 28.900 29.580 -0.680 1
1 66 . 10 1 1 A 6 6 GLU N N 6 120.400 122.213 -1.813 1
1 67 . 10 1 1 A 7 7 ARG H H 7 7.930 8.024 -0.094 1
1 68 . 10 1 1 A 7 7 ARG HA H 7 3.950 4.053 -0.103 1
1 75 . 10 1 1 A 7 7 ARG CA C 7 59.100 58.758 0.342 1
1 76 . 10 1 1 A 7 7 ARG CB C 7 30.100 29.718 0.382 1
1 79 . 10 1 1 A 7 7 ARG N N 7 119.900 118.867 1.033 1
1 80 . 10 1 1 A 8 8 LEU H H 8 8.130 8.094 0.036 1
1 81 . 10 1 1 A 8 8 LEU HA H 8 4.150 3.934 0.216 1
1 91 . 10 1 1 A 8 8 LEU CA C 8 57.800 58.017 -0.217 1
1 92 . 10 1 1 A 8 8 LEU CB C 8 41.000 41.357 -0.357 1
1 96 . 10 1 1 A 8 8 LEU N N 8 119.600 121.149 -1.549 1
1 97 . 10 1 1 A 9 9 GLU H H 9 8.530 8.637 -0.107 1
1 98 . 10 1 1 A 9 9 GLU HA H 9 4.150 3.999 0.151 1
1 103 . 10 1 1 A 9 9 GLU CA C 9 59.100 59.542 -0.442 1
1 104 . 10 1 1 A 9 9 GLU CB C 9 28.300 29.439 -1.139 1
1 106 . 10 1 1 A 9 9 GLU N N 9 118.200 119.291 -1.091 1
1 107 . 10 1 1 A 10 10 ALA H H 10 7.800 8.118 -0.318 1
1 108 . 10 1 1 A 10 10 ALA HA H 10 4.230 4.089 0.141 1
1 112 . 10 1 1 A 10 10 ALA CA C 10 55.000 55.234 -0.234 1
1 113 . 10 1 1 A 10 10 ALA CB C 10 17.200 17.861 -0.661 1
1 114 . 10 1 1 A 10 10 ALA N N 10 122.900 122.467 0.433 1
1 115 . 10 1 1 A 11 11 MET H H 11 7.700 8.310 -0.610 1
1 116 . 10 1 1 A 11 11 MET HA H 11 4.040 4.175 -0.135 1
1 124 . 10 1 1 A 11 11 MET CA C 11 58.900 57.908 0.992 1
1 125 . 10 1 1 A 11 11 MET CB C 11 31.800 32.213 -0.413 1
1 128 . 10 1 1 A 11 11 MET N N 11 118.800 116.220 2.580 1
1 129 . 10 1 1 A 12 12 LEU H H 12 8.070 7.488 0.582 1
1 130 . 10 1 1 A 12 12 LEU HA H 12 4.870 4.011 0.859 1
1 140 . 10 1 1 A 12 12 LEU CA C 12 56.900 57.905 -1.005 1
1 141 . 10 1 1 A 12 12 LEU CB C 12 41.900 41.460 0.440 1
1 145 . 10 1 1 A 12 12 LEU N N 12 122.500 121.957 0.543 1
1 146 . 10 1 1 A 13 13 ALA H H 13 8.150 7.719 0.431 1
1 147 . 10 1 1 A 13 13 ALA HA H 13 4.130 4.207 -0.077 1
1 151 . 10 1 1 A 13 13 ALA CA C 13 54.100 53.365 0.735 1
1 152 . 10 1 1 A 13 13 ALA CB C 13 17.700 18.342 -0.642 1
1 153 . 10 1 1 A 13 13 ALA N N 13 122.300 121.097 1.203 1
1 154 . 10 1 1 A 14 14 GLN H H 14 7.560 7.661 -0.101 1
1 155 . 10 1 1 A 14 14 GLN HA H 14 4.340 4.380 -0.040 1
1 162 . 10 1 1 A 14 14 GLN CA C 14 55.500 55.664 -0.164 1
1 163 . 10 1 1 A 14 14 GLN CB C 14 28.700 29.118 -0.418 1
1 165 . 10 1 1 A 14 14 GLN N N 14 115.100 116.132 -1.032 1
1 167 . 10 1 1 A 15 15 GLY H H 15 7.870 8.395 -0.525 1
1 168 . 10 1 1 A 15 15 GLY HA2 H 15 3.720 3.961 -0.241 1
1 169 . 10 1 1 A 15 15 GLY HA3 H 15 4.430 3.962 0.468 1
1 170 . 10 1 1 A 15 15 GLY CA C 15 45.100 46.584 -1.484 1
1 171 . 10 1 1 A 15 15 GLY N N 15 106.800 108.336 -1.536 1
1 172 . 10 1 1 A 16 16 THR H H 16 7.980 7.785 0.195 1
1 173 . 10 1 1 A 16 16 THR HA H 16 4.190 4.792 -0.602 1
1 178 . 10 1 1 A 16 16 THR CA C 16 62.600 61.674 0.926 1
1 179 . 10 1 1 A 16 16 THR CB C 16 68.800 70.941 -2.141 1
1 181 . 10 1 1 A 16 16 THR N N 16 120.800 114.080 6.720 1
1 182 . 10 1 1 A 17 17 ASP H H 17 8.110 8.969 -0.859 1
1 183 . 10 1 1 A 17 17 ASP HA H 17 4.830 5.383 -0.553 1
1 186 . 10 1 1 A 17 17 ASP CA C 17 53.300 52.978 0.322 1
1 187 . 10 1 1 A 17 17 ASP CB C 17 42.700 43.566 -0.866 1
1 188 . 10 1 1 A 17 17 ASP N N 17 122.800 128.615 -5.815 1
1 189 . 10 1 1 A 18 18 ASN HA H 18 3.460 5.118 -1.658 1
1 194 . 10 1 1 A 18 18 ASN CA C 18 52.200 51.651 0.549 1
1 195 . 10 1 1 A 18 18 ASN CB C 18 39.600 41.886 -2.286 1
1 197 . 10 1 1 A 19 19 MET H H 19 8.260 8.615 -0.355 1
1 198 . 10 1 1 A 19 19 MET HA H 19 3.650 4.129 -0.479 1
1 206 . 10 1 1 A 19 19 MET CA C 19 61.100 58.380 2.720 1
1 207 . 10 1 1 A 19 19 MET CB C 19 32.900 32.190 0.710 1
1 210 . 10 1 1 A 19 19 MET N N 19 119.100 122.111 -3.011 1
1 211 . 10 1 1 A 20 20 LEU H H 20 8.350 8.114 0.236 1
1 212 . 10 1 1 A 20 20 LEU HA H 20 4.220 3.904 0.316 1
1 222 . 10 1 1 A 20 20 LEU CA C 20 57.500 57.627 -0.127 1
1 223 . 10 1 1 A 20 20 LEU CB C 20 41.200 41.603 -0.403 1
1 227 . 10 1 1 A 20 20 LEU N N 20 120.400 121.284 -0.884 1
1 228 . 10 1 1 A 21 21 LEU H H 21 8.520 8.072 0.448 1
1 229 . 10 1 1 A 21 21 LEU HA H 21 3.910 4.042 -0.132 1
1 239 . 10 1 1 A 21 21 LEU CA C 21 59.200 58.429 0.771 1
1 240 . 10 1 1 A 21 21 LEU CB C 21 42.400 41.462 0.938 1
1 244 . 10 1 1 A 21 21 LEU N N 21 125.500 120.110 5.390 1
1 245 . 10 1 1 A 22 22 ARG H H 22 7.830 8.042 -0.212 1
1 246 . 10 1 1 A 22 22 ARG HA H 22 4.230 4.016 0.214 1
1 253 . 10 1 1 A 22 22 ARG CA C 22 57.300 59.631 -2.331 1
1 254 . 10 1 1 A 22 22 ARG CB C 22 28.800 29.601 -0.801 1
1 257 . 10 1 1 A 22 22 ARG N N 22 117.200 118.964 -1.764 1
1 258 . 10 1 1 A 23 23 PHE H H 23 9.380 8.249 1.131 1
1 259 . 10 1 1 A 23 23 PHE HA H 23 3.950 4.024 -0.074 1
1 267 . 10 1 1 A 23 23 PHE CA C 23 61.500 61.032 0.468 1
1 268 . 10 1 1 A 23 23 PHE CB C 23 40.200 39.181 1.019 1
1 272 . 10 1 1 A 23 23 PHE N N 23 118.500 121.897 -3.397 1
1 273 . 10 1 1 A 24 24 THR H H 24 8.600 8.412 0.188 1
1 274 . 10 1 1 A 24 24 THR HA H 24 4.030 3.904 0.126 1
1 279 . 10 1 1 A 24 24 THR CA C 24 68.000 67.171 0.829 1
1 280 . 10 1 1 A 24 24 THR CB C 24 67.400 67.818 -0.418 1
1 282 . 10 1 1 A 24 24 THR N N 24 115.400 115.197 0.203 1
1 283 . 10 1 1 A 25 25 LEU H H 25 8.200 8.057 0.143 1
1 284 . 10 1 1 A 25 25 LEU HA H 25 3.390 3.888 -0.498 1
1 294 . 10 1 1 A 25 25 LEU CA C 25 58.200 58.251 -0.051 1
1 295 . 10 1 1 A 25 25 LEU CB C 25 42.200 41.718 0.482 1
1 299 . 10 1 1 A 25 25 LEU N N 25 124.500 120.777 3.723 1
1 300 . 10 1 1 A 26 26 GLY H H 26 8.520 7.919 0.601 1
1 301 . 10 1 1 A 26 26 GLY HA2 H 26 3.910 3.611 0.299 1
1 302 . 10 1 1 A 26 26 GLY HA3 H 26 3.570 3.719 -0.149 1
1 303 . 10 1 1 A 26 26 GLY CA C 26 48.400 46.954 1.446 1
1 304 . 10 1 1 A 26 26 GLY N N 26 104.600 105.173 -0.573 1
1 305 . 10 1 1 A 27 27 LYS H H 27 8.730 7.962 0.768 1
1 306 . 10 1 1 A 27 27 LYS HA H 27 2.970 3.398 -0.428 1
1 315 . 10 1 1 A 27 27 LYS CA C 27 59.100 58.027 1.073 1
1 316 . 10 1 1 A 27 27 LYS CB C 27 31.400 31.886 -0.486 1
1 320 . 10 1 1 A 27 27 LYS N N 27 121.200 121.402 -0.202 1
1 321 . 10 1 1 A 28 28 THR H H 28 7.420 7.845 -0.425 1
1 322 . 10 1 1 A 28 28 THR HA H 28 3.680 3.860 -0.180 1
1 327 . 10 1 1 A 28 28 THR CA C 28 67.100 66.564 0.536 1
1 328 . 10 1 1 A 28 28 THR CB C 28 67.700 68.216 -0.516 1
1 330 . 10 1 1 A 28 28 THR N N 28 114.500 115.309 -0.809 1
1 331 . 10 1 1 A 29 29 TYR H H 29 8.220 8.134 0.086 1
1 332 . 10 1 1 A 29 29 TYR HA H 29 4.380 4.269 0.111 1
1 339 . 10 1 1 A 29 29 TYR CA C 29 61.400 60.681 0.719 1
1 340 . 10 1 1 A 29 29 TYR CB C 29 37.100 37.285 -0.185 1
1 343 . 10 1 1 A 29 29 TYR N N 29 120.400 120.398 0.002 1
1 344 . 10 1 1 A 30 30 ALA H H 30 8.500 8.313 0.187 1
1 345 . 10 1 1 A 30 30 ALA HA H 30 3.770 3.686 0.084 1
1 349 . 10 1 1 A 30 30 ALA CA C 30 56.000 55.014 0.986 1
1 350 . 10 1 1 A 30 30 ALA CB C 30 18.200 18.266 -0.066 1
1 351 . 10 1 1 A 30 30 ALA N N 30 123.300 123.067 0.233 1
1 352 . 10 1 1 A 31 31 GLU H H 31 8.940 8.100 0.840 1
1 353 . 10 1 1 A 31 31 GLU HA H 31 4.180 4.146 0.034 1
1 358 . 10 1 1 A 31 31 GLU CA C 31 58.600 58.541 0.059 1
1 359 . 10 1 1 A 31 31 GLU CB C 31 28.700 29.033 -0.333 1
1 361 . 10 1 1 A 31 31 GLU N N 31 120.700 119.546 1.154 1
1 362 . 10 1 1 A 32 32 HIS H H 32 7.340 7.267 0.073 1
1 363 . 10 1 1 A 32 32 HIS HA H 32 4.740 4.517 0.223 1
1 368 . 10 1 1 A 32 32 HIS CA C 32 54.800 55.559 -0.759 1
1 369 . 10 1 1 A 32 32 HIS CB C 32 28.200 29.862 -1.662 1
1 372 . 10 1 1 A 32 32 HIS N N 32 115.300 115.541 -0.241 1
1 373 . 10 1 1 A 33 33 GLU H H 33 7.830 7.791 0.039 1
1 374 . 10 1 1 A 33 33 GLU HA H 33 2.500 3.076 -0.576 1
1 379 . 10 1 1 A 33 33 GLU CA C 33 56.800 57.495 -0.695 1
1 380 . 10 1 1 A 33 33 GLU CB C 33 25.000 29.400 -4.400 1
1 382 . 10 1 1 A 33 33 GLU N N 33 112.200 117.818 -5.618 1
1 383 . 10 1 1 A 34 34 GLN H H 34 8.030 8.332 -0.302 1
1 384 . 10 1 1 A 34 34 GLN HA H 34 4.460 4.611 -0.151 1
1 391 . 10 1 1 A 34 34 GLN CA C 34 53.200 54.938 -1.738 1
1 392 . 10 1 1 A 34 34 GLN CB C 34 26.500 28.259 -1.759 1
1 394 . 10 1 1 A 34 34 GLN N N 34 121.000 118.338 2.662 1
1 396 . 10 1 1 A 35 35 PHE H H 35 7.050 7.695 -0.645 1
1 397 . 10 1 1 A 35 35 PHE HA H 35 4.180 4.313 -0.133 1
1 405 . 10 1 1 A 35 35 PHE CA C 35 60.700 60.993 -0.293 1
1 406 . 10 1 1 A 35 35 PHE CB C 35 38.200 38.549 -0.349 1
1 410 . 10 1 1 A 35 35 PHE N N 35 118.600 120.188 -1.588 1
1 411 . 10 1 1 A 36 36 ASP H H 36 8.410 8.525 -0.115 1
1 412 . 10 1 1 A 36 36 ASP HA H 36 4.200 4.325 -0.125 1
1 415 . 10 1 1 A 36 36 ASP CA C 36 56.700 57.758 -1.058 1
1 416 . 10 1 1 A 36 36 ASP CB C 36 38.800 41.554 -2.754 1
1 417 . 10 1 1 A 36 36 ASP N N 36 117.000 119.363 -2.363 1
1 418 . 10 1 1 A 37 37 ALA H H 37 7.540 7.985 -0.445 1
1 419 . 10 1 1 A 37 37 ALA HA H 37 3.860 3.955 -0.095 1
1 423 . 10 1 1 A 37 37 ALA CA C 37 52.900 54.781 -1.881 1
1 424 . 10 1 1 A 37 37 ALA CB C 37 16.300 18.025 -1.725 1
1 425 . 10 1 1 A 37 37 ALA N N 37 120.900 121.298 -0.398 1
1 426 . 10 1 1 A 38 38 ALA H H 38 7.700 8.026 -0.326 1
1 427 . 10 1 1 A 38 38 ALA HA H 38 4.210 4.035 0.175 1
1 431 . 10 1 1 A 38 38 ALA CA C 38 55.100 55.100 0.000 1
1 432 . 10 1 1 A 38 38 ALA CB C 38 20.500 18.119 2.381 1
1 433 . 10 1 1 A 38 38 ALA N N 38 117.600 120.244 -2.644 1
1 434 . 10 1 1 A 39 39 LEU H H 39 7.430 7.925 -0.495 1
1 435 . 10 1 1 A 39 39 LEU HA H 39 4.050 3.942 0.108 1
1 445 . 10 1 1 A 39 39 LEU CA C 39 60.500 60.035 0.465 1
1 446 . 10 1 1 A 39 39 LEU CB C 39 39.200 40.093 -0.893 1
1 450 . 10 1 1 A 39 39 LEU N N 39 114.900 118.301 -3.401 1
1 451 . 10 1 1 A 40 40 PRO HA H 40 4.180 4.293 -0.113 1
1 458 . 10 1 1 A 40 40 PRO CA C 40 65.100 65.500 -0.400 1
1 459 . 10 1 1 A 40 40 PRO CB C 40 30.600 30.816 -0.216 1
1 462 . 10 1 1 A 41 41 HIS H H 41 6.570 7.406 -0.836 1
1 463 . 10 1 1 A 41 41 HIS HA H 41 4.740 4.158 0.582 1
1 468 . 10 1 1 A 41 41 HIS CA C 41 58.800 59.356 -0.556 1
1 469 . 10 1 1 A 41 41 HIS CB C 41 30.800 29.925 0.875 1
1 472 . 10 1 1 A 41 41 HIS N N 41 116.500 116.144 0.356 1
1 473 . 10 1 1 A 42 42 LEU H H 42 8.140 8.339 -0.199 1
1 474 . 10 1 1 A 42 42 LEU HA H 42 4.120 3.889 0.231 1
1 484 . 10 1 1 A 42 42 LEU CA C 42 57.800 57.975 -0.175 1
1 485 . 10 1 1 A 42 42 LEU CB C 42 42.100 41.034 1.066 1
1 489 . 10 1 1 A 42 42 LEU N N 42 119.900 119.863 0.037 1
1 490 . 10 1 1 A 43 43 ARG H H 43 8.300 8.666 -0.366 1
1 491 . 10 1 1 A 43 43 ARG HA H 43 3.740 4.183 -0.443 1
1 498 . 10 1 1 A 43 43 ARG CA C 43 59.700 59.113 0.587 1
1 499 . 10 1 1 A 43 43 ARG CB C 43 28.300 29.809 -1.509 1
1 502 . 10 1 1 A 43 43 ARG N N 43 116.400 119.245 -2.845 1
1 503 . 10 1 1 A 44 44 ALA H H 44 7.850 7.880 -0.030 1
1 504 . 10 1 1 A 44 44 ALA HA H 44 4.060 4.230 -0.170 1
1 508 . 10 1 1 A 44 44 ALA CA C 44 54.600 55.093 -0.493 1
1 509 . 10 1 1 A 44 44 ALA CB C 44 17.000 17.977 -0.977 1
1 510 . 10 1 1 A 44 44 ALA N N 44 121.000 122.404 -1.404 1
1 511 . 10 1 1 A 45 45 ALA H H 45 8.440 7.640 0.800 1
1 512 . 10 1 1 A 45 45 ALA HA H 45 4.270 4.204 0.066 1
1 516 . 10 1 1 A 45 45 ALA CA C 45 56.200 55.077 1.123 1
1 517 . 10 1 1 A 45 45 ALA CB C 45 17.000 18.404 -1.404 1
1 518 . 10 1 1 A 45 45 ALA N N 45 121.200 121.049 0.151 1
1 519 . 10 1 1 A 46 46 LEU H H 46 7.310 8.525 -1.215 1
1 520 . 10 1 1 A 46 46 LEU HA H 46 4.010 4.133 -0.123 1
1 530 . 10 1 1 A 46 46 LEU CA C 46 55.900 57.897 -1.997 1
1 531 . 10 1 1 A 46 46 LEU CB C 46 42.200 41.293 0.907 1
1 535 . 10 1 1 A 46 46 LEU N N 46 116.800 118.726 -1.926 1
1 536 . 10 1 1 A 47 47 ASP H H 47 7.590 8.542 -0.952 1
1 537 . 10 1 1 A 47 47 ASP HA H 47 4.440 4.305 0.135 1
1 540 . 10 1 1 A 47 47 ASP CA C 47 55.500 57.330 -1.830 1
1 541 . 10 1 1 A 47 47 ASP CB C 47 39.200 41.468 -2.268 1
1 542 . 10 1 1 A 47 47 ASP N N 47 118.900 120.040 -1.140 1
1 543 . 10 1 1 A 48 48 PHE H H 48 7.490 8.116 -0.626 1
1 544 . 10 1 1 A 48 48 PHE HA H 48 4.450 4.344 0.106 1
1 552 . 10 1 1 A 48 48 PHE CA C 48 61.200 59.807 1.393 1
1 553 . 10 1 1 A 48 48 PHE CB C 48 39.600 40.041 -0.441 1
1 557 . 10 1 1 A 48 48 PHE N N 48 117.200 115.988 1.212 1
1 558 . 10 1 1 A 49 49 ASP H H 49 7.790 8.171 -0.381 1
1 559 . 10 1 1 A 49 49 ASP HA H 49 4.980 5.081 -0.101 1
1 562 . 10 1 1 A 49 49 ASP CA C 49 51.000 51.339 -0.339 1
1 563 . 10 1 1 A 49 49 ASP CB C 49 41.800 41.542 0.258 1
1 564 . 10 1 1 A 49 49 ASP N N 49 113.500 117.508 -4.008 1
1 565 . 10 1 1 A 50 50 PRO HA H 50 4.780 4.678 0.102 1
1 572 . 10 1 1 A 50 50 PRO CA C 50 64.000 64.212 -0.212 1
1 573 . 10 1 1 A 50 50 PRO CB C 50 32.000 31.840 0.160 1
1 576 . 10 1 1 A 51 51 THR H H 51 8.640 7.764 0.876 1
1 577 . 10 1 1 A 51 51 THR HA H 51 4.620 4.805 -0.185 1
1 582 . 10 1 1 A 51 51 THR CA C 51 60.900 62.105 -1.205 1
1 583 . 10 1 1 A 51 51 THR CB C 51 68.600 68.404 0.196 1
1 585 . 10 1 1 A 51 51 THR N N 51 111.900 111.638 0.262 1
1 586 . 10 1 1 A 52 52 TYR H H 52 7.350 7.853 -0.503 1
1 587 . 10 1 1 A 52 52 TYR HA H 52 4.820 4.658 0.162 1
1 594 . 10 1 1 A 52 52 TYR CA C 52 56.100 56.444 -0.344 1
1 595 . 10 1 1 A 52 52 TYR CB C 52 35.900 37.790 -1.890 1
1 598 . 10 1 1 A 52 52 TYR N N 52 122.600 124.844 -2.244 1
1 599 . 10 1 1 A 53 53 SER H H 53 8.480 8.023 0.457 1
1 600 . 10 1 1 A 53 53 SER HA H 53 4.170 1.713 2.457 1
1 603 . 10 1 1 A 53 53 SER CA C 53 62.900 61.378 1.522 1
1 604 . 10 1 1 A 53 53 SER CB C 53 62.900 62.289 0.611 1
1 605 . 10 1 1 A 53 53 SER N N 53 127.100 122.331 4.769 1
1 606 . 10 1 1 A 54 54 VAL H H 54 7.860 7.659 0.201 1
1 607 . 10 1 1 A 54 54 VAL HA H 54 3.850 3.742 0.108 1
1 615 . 10 1 1 A 54 54 VAL CA C 54 65.500 66.568 -1.068 1
1 616 . 10 1 1 A 54 54 VAL CB C 54 31.200 31.569 -0.369 1
1 619 . 10 1 1 A 54 54 VAL N N 54 116.800 121.533 -4.733 1
1 620 . 10 1 1 A 55 55 ALA H H 55 7.120 8.110 -0.990 1
1 621 . 10 1 1 A 55 55 ALA HA H 55 4.490 4.588 -0.098 1
1 625 . 10 1 1 A 55 55 ALA CA C 55 55.700 55.315 0.385 1
1 626 . 10 1 1 A 55 55 ALA CB C 55 16.700 18.541 -1.841 1
1 627 . 10 1 1 A 55 55 ALA N N 55 123.000 121.363 1.637 1
1 628 . 10 1 1 A 56 56 TRP H H 56 7.340 7.700 -0.360 1
1 629 . 10 1 1 A 56 56 TRP HA H 56 4.160 4.522 -0.362 1
1 638 . 10 1 1 A 56 56 TRP CA C 56 60.700 60.308 0.392 1
1 639 . 10 1 1 A 56 56 TRP CB C 56 30.100 29.051 1.049 1
1 645 . 10 1 1 A 56 56 TRP N N 56 119.300 118.187 1.113 1
1 647 . 10 1 1 A 57 57 LYS H H 57 8.330 8.235 0.095 1
1 648 . 10 1 1 A 57 57 LYS HA H 57 3.970 4.271 -0.301 1
1 657 . 10 1 1 A 57 57 LYS CA C 57 59.300 59.420 -0.120 1
1 658 . 10 1 1 A 57 57 LYS CB C 57 34.400 32.152 2.248 1
1 662 . 10 1 1 A 57 57 LYS N N 57 117.700 120.778 -3.078 1
1 663 . 10 1 1 A 58 58 TRP H H 58 8.170 8.193 -0.023 1
1 664 . 10 1 1 A 58 58 TRP HA H 58 4.230 4.586 -0.356 1
1 673 . 10 1 1 A 58 58 TRP CA C 58 61.600 60.029 1.571 1
1 674 . 10 1 1 A 58 58 TRP CB C 58 29.000 29.623 -0.623 1
1 680 . 10 1 1 A 58 58 TRP N N 58 119.100 120.332 -1.232 1
1 682 . 10 1 1 A 59 59 LEU H H 59 9.500 8.466 1.034 1
1 683 . 10 1 1 A 59 59 LEU HA H 59 4.090 4.024 0.066 1
1 693 . 10 1 1 A 59 59 LEU CA C 59 58.500 58.054 0.446 1
1 694 . 10 1 1 A 59 59 LEU CB C 59 41.300 42.036 -0.736 1
1 698 . 10 1 1 A 59 59 LEU N N 59 127.300 121.598 5.702 1
1 699 . 10 1 1 A 60 60 GLY H H 60 8.480 7.574 0.906 1
1 700 . 10 1 1 A 60 60 GLY HA2 H 60 3.050 2.398 0.652 1
1 701 . 10 1 1 A 60 60 GLY HA3 H 60 2.250 3.087 -0.837 1
1 702 . 10 1 1 A 60 60 GLY CA C 60 47.500 46.517 0.983 1
1 703 . 10 1 1 A 60 60 GLY N N 60 105.100 105.776 -0.676 1
1 704 . 10 1 1 A 61 61 LYS H H 61 7.680 7.374 0.306 1
1 705 . 10 1 1 A 61 61 LYS HA H 61 3.890 3.897 -0.007 1
1 714 . 10 1 1 A 61 61 LYS CA C 61 59.300 59.268 0.032 1
1 715 . 10 1 1 A 61 61 LYS CB C 61 32.000 32.111 -0.111 1
1 719 . 10 1 1 A 61 61 LYS N N 61 118.600 122.119 -3.519 1
1 720 . 10 1 1 A 62 62 THR H H 62 8.030 8.271 -0.241 1
1 721 . 10 1 1 A 62 62 THR HA H 62 3.780 4.103 -0.323 1
1 726 . 10 1 1 A 62 62 THR CA C 62 67.400 67.116 0.284 1
1 727 . 10 1 1 A 62 62 THR CB C 62 66.300 68.263 -1.963 1
1 729 . 10 1 1 A 62 62 THR N N 62 120.100 118.364 1.736 1
1 730 . 10 1 1 A 63 63 LEU H H 63 8.090 7.962 0.128 1
1 731 . 10 1 1 A 63 63 LEU HA H 63 4.080 3.823 0.257 1
1 741 . 10 1 1 A 63 63 LEU CA C 63 57.800 57.722 0.078 1
1 742 . 10 1 1 A 63 63 LEU CB C 63 40.800 40.947 -0.147 1
1 746 . 10 1 1 A 63 63 LEU N N 63 121.400 120.972 0.428 1
1 747 . 10 1 1 A 64 64 GLN H H 64 8.300 7.882 0.418 1
1 748 . 10 1 1 A 64 64 GLN HA H 64 3.400 3.902 -0.502 1
1 755 . 10 1 1 A 64 64 GLN CA C 64 59.300 59.134 0.166 1
1 756 . 10 1 1 A 64 64 GLN CB C 64 28.100 28.078 0.022 1
1 758 . 10 1 1 A 64 64 GLN N N 64 119.500 118.104 1.396 1
1 760 . 10 1 1 A 65 65 GLY H H 65 7.720 8.019 -0.299 1
1 761 . 10 1 1 A 65 65 GLY HA2 H 65 2.300 2.367 -0.067 1
1 762 . 10 1 1 A 65 65 GLY HA3 H 65 3.430 3.373 0.057 1
1 763 . 10 1 1 A 65 65 GLY CA C 65 46.000 46.685 -0.685 1
1 764 . 10 1 1 A 65 65 GLY N N 65 110.300 108.299 2.001 1
1 765 . 10 1 1 A 66 66 GLN H H 66 7.250 7.365 -0.115 1
1 766 . 10 1 1 A 66 66 GLN HA H 66 4.270 4.321 -0.051 1
1 773 . 10 1 1 A 66 66 GLN CA C 66 55.900 56.734 -0.834 1
1 774 . 10 1 1 A 66 66 GLN CB C 66 30.000 29.209 0.791 1
1 776 . 10 1 1 A 66 66 GLN N N 66 117.500 119.860 -2.360 1
1 778 . 10 1 1 A 67 67 GLY H H 67 7.800 7.808 -0.008 1
1 779 . 10 1 1 A 67 67 GLY HA2 H 67 4.230 3.926 0.304 1
1 780 . 10 1 1 A 67 67 GLY HA3 H 67 3.660 3.949 -0.289 1
1 781 . 10 1 1 A 67 67 GLY CA C 67 44.800 45.538 -0.738 1
1 782 . 10 1 1 A 67 67 GLY N N 67 107.400 107.825 -0.425 1
1 783 . 10 1 1 A 68 68 ASP H H 68 8.100 8.064 0.036 1
1 784 . 10 1 1 A 68 68 ASP HA H 68 4.780 4.829 -0.049 1
1 787 . 10 1 1 A 68 68 ASP CA C 68 51.100 52.644 -1.544 1
1 788 . 10 1 1 A 68 68 ASP CB C 68 38.800 41.215 -2.415 1
1 789 . 10 1 1 A 68 68 ASP N N 68 121.600 120.515 1.085 1
1 790 . 10 1 1 A 69 69 ARG H H 69 7.770 8.576 -0.806 1
1 791 . 10 1 1 A 69 69 ARG HA H 69 3.650 3.862 -0.212 1
1 798 . 10 1 1 A 69 69 ARG CA C 69 59.800 59.452 0.348 1
1 799 . 10 1 1 A 69 69 ARG CB C 69 28.700 29.804 -1.104 1
1 802 . 10 1 1 A 69 69 ARG N N 69 123.700 126.696 -2.996 1
1 803 . 10 1 1 A 70 70 ALA H H 70 8.490 8.223 0.267 1
1 804 . 10 1 1 A 70 70 ALA HA H 70 4.040 4.061 -0.021 1
1 808 . 10 1 1 A 70 70 ALA CA C 70 54.700 55.055 -0.355 1
1 809 . 10 1 1 A 70 70 ALA CB C 70 17.800 18.273 -0.473 1
1 810 . 10 1 1 A 70 70 ALA N N 70 122.400 121.877 0.523 1
1 811 . 10 1 1 A 71 71 GLY H H 71 8.540 8.730 -0.190 1
1 812 . 10 1 1 A 71 71 GLY HA2 H 71 3.570 3.657 -0.087 1
1 813 . 10 1 1 A 71 71 GLY HA3 H 71 3.710 3.673 0.037 1
1 814 . 10 1 1 A 71 71 GLY CA C 71 47.100 46.449 0.651 1
1 815 . 10 1 1 A 71 71 GLY N N 71 109.100 105.971 3.129 1
1 816 . 10 1 1 A 72 72 ALA H H 72 8.060 7.782 0.278 1
1 817 . 10 1 1 A 72 72 ALA HA H 72 3.310 3.465 -0.155 1
1 821 . 10 1 1 A 72 72 ALA CA C 72 55.200 54.660 0.540 1
1 822 . 10 1 1 A 72 72 ALA CB C 72 17.200 18.547 -1.347 1
1 823 . 10 1 1 A 72 72 ALA N N 72 126.600 124.795 1.805 1
1 824 . 10 1 1 A 73 73 ARG H H 73 7.840 8.061 -0.221 1
1 825 . 10 1 1 A 73 73 ARG HA H 73 3.760 4.259 -0.499 1
1 832 . 10 1 1 A 73 73 ARG CA C 73 59.700 59.111 0.589 1
1 833 . 10 1 1 A 73 73 ARG CB C 73 29.800 30.149 -0.349 1
1 836 . 10 1 1 A 73 73 ARG N N 73 116.300 117.079 -0.779 1
1 837 . 10 1 1 A 74 74 GLN H H 74 7.690 8.087 -0.397 1
1 838 . 10 1 1 A 74 74 GLN HA H 74 3.970 4.086 -0.116 1
1 845 . 10 1 1 A 74 74 GLN CA C 74 58.800 58.621 0.179 1
1 846 . 10 1 1 A 74 74 GLN CB C 74 28.400 27.745 0.655 1
1 848 . 10 1 1 A 74 74 GLN N N 74 116.500 118.047 -1.547 1
1 850 . 10 1 1 A 75 75 ALA H H 75 8.160 7.862 0.298 1
1 851 . 10 1 1 A 75 75 ALA HA H 75 4.350 4.054 0.296 1
1 855 . 10 1 1 A 75 75 ALA CA C 75 54.400 54.998 -0.598 1
1 856 . 10 1 1 A 75 75 ALA CB C 75 17.600 17.945 -0.345 1
1 857 . 10 1 1 A 75 75 ALA N N 75 121.900 122.218 -0.318 1
1 858 . 10 1 1 A 76 76 TRP H H 76 8.640 8.163 0.477 1
1 859 . 10 1 1 A 76 76 TRP HA H 76 4.640 4.509 0.131 1
1 868 . 10 1 1 A 76 76 TRP CA C 76 58.200 59.937 -1.737 1
1 869 . 10 1 1 A 76 76 TRP CB C 76 27.600 29.280 -1.680 1
1 875 . 10 1 1 A 76 76 TRP N N 76 118.400 118.924 -0.524 1
1 877 . 10 1 1 A 77 77 GLU H H 77 9.050 8.303 0.747 1
1 878 . 10 1 1 A 77 77 GLU HA H 77 4.010 3.950 0.060 1
1 883 . 10 1 1 A 77 77 GLU CA C 77 58.900 59.919 -1.019 1
1 884 . 10 1 1 A 77 77 GLU CB C 77 28.100 29.323 -1.223 1
1 886 . 10 1 1 A 77 77 GLU N N 77 121.000 120.017 0.983 1
1 887 . 10 1 1 A 78 78 SER H H 78 8.280 8.014 0.266 1
1 888 . 10 1 1 A 78 78 SER HA H 78 3.800 4.187 -0.387 1
1 891 . 10 1 1 A 78 78 SER CA C 78 62.400 62.581 -0.181 1
1 892 . 10 1 1 A 78 78 SER CB C 78 68.000 62.617 5.383 1
1 893 . 10 1 1 A 78 78 SER N N 78 120.000 116.886 3.114 1
1 894 . 10 1 1 A 79 79 GLY H H 79 8.580 8.644 -0.064 1
1 895 . 10 1 1 A 79 79 GLY HA2 H 79 3.470 3.700 -0.230 1
1 896 . 10 1 1 A 79 79 GLY HA3 H 79 3.580 3.913 -0.333 1
1 897 . 10 1 1 A 79 79 GLY CA C 79 47.000 47.244 -0.244 1
1 898 . 10 1 1 A 79 79 GLY N N 79 111.000 109.302 1.698 1
1 899 . 10 1 1 A 80 80 LEU H H 80 8.640 8.581 0.059 1
1 900 . 10 1 1 A 80 80 LEU HA H 80 3.830 4.185 -0.355 1
1 910 . 10 1 1 A 80 80 LEU CA C 80 58.200 57.662 0.538 1
1 911 . 10 1 1 A 80 80 LEU CB C 80 41.800 41.465 0.335 1
1 915 . 10 1 1 A 80 80 LEU N N 80 125.600 123.090 2.510 1
1 916 . 10 1 1 A 81 81 ALA H H 81 7.400 8.103 -0.703 1
1 917 . 10 1 1 A 81 81 ALA HA H 81 4.140 3.935 0.205 1
1 921 . 10 1 1 A 81 81 ALA CA C 81 54.600 55.188 -0.588 1
1 922 . 10 1 1 A 81 81 ALA CB C 81 17.500 18.121 -0.621 1
1 923 . 10 1 1 A 81 81 ALA N N 81 120.400 121.031 -0.631 1
1 924 . 10 1 1 A 82 82 ALA H H 82 7.640 7.921 -0.281 1
1 925 . 10 1 1 A 82 82 ALA HA H 82 4.160 3.825 0.335 1
1 929 . 10 1 1 A 82 82 ALA CA C 82 54.700 54.756 -0.056 1
1 930 . 10 1 1 A 82 82 ALA CB C 82 17.200 18.113 -0.913 1
1 931 . 10 1 1 A 82 82 ALA N N 82 120.900 120.083 0.817 1
1 932 . 10 1 1 A 83 83 ALA H H 83 8.910 8.127 0.783 1
1 933 . 10 1 1 A 83 83 ALA HA H 83 4.260 4.404 -0.144 1
1 937 . 10 1 1 A 83 83 ALA CA C 83 54.900 55.696 -0.796 1
1 938 . 10 1 1 A 83 83 ALA CB C 83 18.600 17.663 0.937 1
1 939 . 10 1 1 A 83 83 ALA N N 83 122.000 119.939 2.061 1
1 940 . 10 1 1 A 84 84 GLN H H 84 8.770 8.461 0.309 1
1 941 . 10 1 1 A 84 84 GLN HA H 84 3.940 4.100 -0.160 1
1 948 . 10 1 1 A 84 84 GLN CA C 84 58.800 58.947 -0.147 1
1 949 . 10 1 1 A 84 84 GLN CB C 84 28.200 28.415 -0.215 1
1 951 . 10 1 1 A 84 84 GLN N N 84 118.400 118.559 -0.159 1
1 953 . 10 1 1 A 85 85 SER H H 85 7.920 8.203 -0.283 1
1 954 . 10 1 1 A 85 85 SER HA H 85 4.250 4.154 0.096 1
1 957 . 10 1 1 A 85 85 SER CA C 85 61.200 61.436 -0.236 1
1 958 . 10 1 1 A 85 85 SER CB C 85 62.700 62.938 -0.238 1
1 959 . 10 1 1 A 85 85 SER N N 85 115.200 115.546 -0.346 1
1 960 . 10 1 1 A 86 86 ARG H H 86 7.590 7.767 -0.177 1
1 961 . 10 1 1 A 86 86 ARG HA H 86 4.380 4.497 -0.117 1
1 968 . 10 1 1 A 86 86 ARG CA C 86 55.800 57.353 -1.553 1
1 969 . 10 1 1 A 86 86 ARG CB C 86 31.200 31.151 0.049 1
1 972 . 10 1 1 A 86 86 ARG N N 86 117.800 121.327 -3.527 1
1 973 . 10 1 1 A 87 87 GLY H H 87 7.790 7.940 -0.150 1
1 974 . 10 1 1 A 87 87 GLY HA2 H 87 3.870 3.948 -0.078 1
1 975 . 10 1 1 A 87 87 GLY HA3 H 87 4.080 3.950 0.130 1
1 976 . 10 1 1 A 87 87 GLY CA C 87 46.100 46.357 -0.257 1
1 977 . 10 1 1 A 87 87 GLY N N 87 109.100 108.526 0.574 1
1 978 . 10 1 1 A 88 88 ASP H H 88 8.210 8.456 -0.246 1
1 979 . 10 1 1 A 88 88 ASP HA H 88 4.830 4.707 0.123 1
1 982 . 10 1 1 A 88 88 ASP CA C 88 52.100 52.567 -0.467 1
1 983 . 10 1 1 A 88 88 ASP CB C 88 39.000 39.353 -0.353 1
1 984 . 10 1 1 A 88 88 ASP N N 88 120.200 120.888 -0.688 1
1 985 . 10 1 1 A 89 89 GLN H H 89 8.110 8.224 -0.114 1
1 986 . 10 1 1 A 89 89 GLN HA H 89 3.840 4.073 -0.233 1
1 993 . 10 1 1 A 89 89 GLN CA C 89 58.500 59.180 -0.680 1
1 994 . 10 1 1 A 89 89 GLN CB C 89 28.000 28.293 -0.293 1
1 996 . 10 1 1 A 89 89 GLN N N 89 122.400 124.894 -2.494 1
1 998 . 10 1 1 A 90 90 GLN H H 90 8.720 7.970 0.750 1
1 999 . 10 1 1 A 90 90 GLN HA H 90 4.000 4.091 -0.091 1
1 1006 . 10 1 1 A 90 90 GLN CA C 90 58.800 58.679 0.121 1
1 1007 . 10 1 1 A 90 90 GLN CB C 90 27.800 28.503 -0.703 1
1 1009 . 10 1 1 A 90 90 GLN N N 90 119.100 120.178 -1.078 1
1 1011 . 10 1 1 A 91 91 VAL H H 91 7.170 7.874 -0.704 1
1 1012 . 10 1 1 A 91 91 VAL HA H 91 3.660 3.670 -0.010 1
1 1020 . 10 1 1 A 91 91 VAL CA C 91 65.500 66.209 -0.709 1
1 1021 . 10 1 1 A 91 91 VAL CB C 91 31.300 31.675 -0.375 1
1 1024 . 10 1 1 A 91 91 VAL N N 91 119.900 119.501 0.399 1
1 1025 . 10 1 1 A 92 92 VAL H H 92 7.880 8.001 -0.121 1
1 1026 . 10 1 1 A 92 92 VAL HA H 92 3.240 3.585 -0.345 1
1 1034 . 10 1 1 A 92 92 VAL CA C 92 67.300 67.038 0.262 1
1 1035 . 10 1 1 A 92 92 VAL CB C 92 31.500 31.490 0.010 1
1 1038 . 10 1 1 A 92 92 VAL N N 92 119.900 120.555 -0.655 1
1 1039 . 10 1 1 A 93 93 LYS H H 93 7.480 8.092 -0.612 1
1 1040 . 10 1 1 A 93 93 LYS HA H 93 3.920 3.901 0.019 1
1 1049 . 10 1 1 A 93 93 LYS CA C 93 59.300 60.014 -0.714 1
1 1050 . 10 1 1 A 93 93 LYS CB C 93 31.900 32.015 -0.115 1
1 1054 . 10 1 1 A 93 93 LYS N N 93 116.000 118.554 -2.554 1
1 1055 . 10 1 1 A 94 94 GLU H H 94 7.480 7.588 -0.108 1
1 1056 . 10 1 1 A 94 94 GLU HA H 94 3.580 4.009 -0.429 1
1 1061 . 10 1 1 A 94 94 GLU CA C 94 58.600 58.824 -0.224 1
1 1062 . 10 1 1 A 94 94 GLU CB C 94 29.500 29.831 -0.331 1
1 1064 . 10 1 1 A 94 94 GLU N N 94 117.500 120.540 -3.040 1
1 1065 . 10 1 1 A 95 95 LEU H H 95 8.370 8.820 -0.450 1
1 1066 . 10 1 1 A 95 95 LEU HA H 95 3.530 4.305 -0.775 1
1 1076 . 10 1 1 A 95 95 LEU CA C 95 57.600 58.080 -0.480 1
1 1077 . 10 1 1 A 95 95 LEU CB C 95 40.900 41.418 -0.518 1
1 1081 . 10 1 1 A 95 95 LEU N N 95 117.500 120.348 -2.848 1
1 1082 . 10 1 1 A 96 96 GLN H H 96 8.330 8.388 -0.058 1
1 1083 . 10 1 1 A 96 96 GLN HA H 96 3.980 4.007 -0.027 1
1 1090 . 10 1 1 A 96 96 GLN CA C 96 58.900 58.430 0.470 1
1 1091 . 10 1 1 A 96 96 GLN CB C 96 28.100 28.495 -0.395 1
1 1093 . 10 1 1 A 96 96 GLN N N 96 117.600 118.396 -0.796 1
1 1095 . 10 1 1 A 97 97 VAL H H 97 7.450 7.834 -0.384 1
1 1096 . 10 1 1 A 97 97 VAL HA H 97 3.450 3.435 0.015 1
1 1104 . 10 1 1 A 97 97 VAL CA C 97 66.700 66.141 0.559 1
1 1105 . 10 1 1 A 97 97 VAL CB C 97 31.000 31.159 -0.159 1
1 1108 . 10 1 1 A 97 97 VAL N N 97 120.300 120.226 0.074 1
1 1109 . 10 1 1 A 98 98 PHE H H 98 7.460 7.028 0.432 1
1 1110 . 10 1 1 A 98 98 PHE HA H 98 3.980 3.872 0.108 1
1 1118 . 10 1 1 A 98 98 PHE CA C 98 58.700 60.893 -2.193 1
1 1119 . 10 1 1 A 98 98 PHE CB C 98 35.500 37.509 -2.009 1
1 1123 . 10 1 1 A 98 98 PHE N N 98 119.100 117.948 1.152 1
1 1124 . 10 1 1 A 99 99 LEU H H 99 8.330 7.731 0.599 1
1 1125 . 10 1 1 A 99 99 LEU HA H 99 4.090 3.746 0.344 1
1 1135 . 10 1 1 A 99 99 LEU CA C 99 57.800 57.651 0.149 1
1 1136 . 10 1 1 A 99 99 LEU CB C 99 41.800 41.255 0.545 1
1 1140 . 10 1 1 A 99 99 LEU N N 99 119.300 119.724 -0.424 1
1 1141 . 10 1 1 A 100 100 ARG H H 100 8.350 7.914 0.436 1
1 1142 . 10 1 1 A 100 100 ARG HA H 100 4.110 3.969 0.141 1
1 1149 . 10 1 1 A 100 100 ARG CA C 100 59.300 59.479 -0.179 1
1 1150 . 10 1 1 A 100 100 ARG CB C 100 29.900 30.040 -0.140 1
1 1153 . 10 1 1 A 100 100 ARG N N 100 121.900 119.858 2.042 1
1 1154 . 10 1 1 A 101 101 ARG H H 101 8.110 7.686 0.424 1
1 1155 . 10 1 1 A 101 101 ARG HA H 101 4.020 4.015 0.005 1
1 1162 . 10 1 1 A 101 101 ARG CA C 101 57.600 58.804 -1.204 1
1 1163 . 10 1 1 A 101 101 ARG CB C 101 30.200 29.729 0.471 1
1 1166 . 10 1 1 A 101 101 ARG N N 101 120.500 119.715 0.785 1
1 1167 . 10 1 1 A 102 102 LEU H H 102 7.890 8.194 -0.304 1
1 1168 . 10 1 1 A 102 102 LEU HA H 102 4.150 4.120 0.030 1
1 1178 . 10 1 1 A 102 102 LEU CA C 102 57.600 57.562 0.038 1
1 1179 . 10 1 1 A 102 102 LEU CB C 102 42.300 41.503 0.797 1
1 1183 . 10 1 1 A 102 102 LEU N N 102 119.900 120.867 -0.967 1
1 1184 . 10 1 1 A 103 103 ALA H H 103 7.880 8.497 -0.617 1
1 1185 . 10 1 1 A 103 103 ALA HA H 103 4.170 3.896 0.274 1
1 1189 . 10 1 1 A 103 103 ALA CA C 103 54.700 55.008 -0.308 1
1 1190 . 10 1 1 A 103 103 ALA CB C 103 17.800 18.209 -0.409 1
1 1191 . 10 1 1 A 103 103 ALA N N 103 120.000 120.749 -0.749 1
1 1192 . 10 1 1 A 104 104 ARG H H 104 8.060 7.891 0.169 1
1 1193 . 10 1 1 A 104 104 ARG HA H 104 4.130 4.023 0.107 1
1 1200 . 10 1 1 A 104 104 ARG CA C 104 58.500 59.436 -0.936 1
1 1201 . 10 1 1 A 104 104 ARG CB C 104 29.800 29.740 0.060 1
1 1204 . 10 1 1 A 104 104 ARG N N 104 119.800 117.553 2.247 1
1 1205 . 10 1 1 A 105 105 GLU H H 105 8.050 7.846 0.204 1
1 1206 . 10 1 1 A 105 105 GLU HA H 105 4.020 4.109 -0.089 1
1 1211 . 10 1 1 A 105 105 GLU CA C 105 58.500 59.182 -0.682 1
1 1212 . 10 1 1 A 105 105 GLU CB C 105 28.900 29.808 -0.908 1
1 1214 . 10 1 1 A 105 105 GLU N N 105 119.700 119.806 -0.106 1
1 1215 . 10 1 1 A 106 106 ASP H H 106 8.360 8.085 0.275 1
1 1216 . 10 1 1 A 106 106 ASP HA H 106 4.380 4.334 0.046 1
1 1219 . 10 1 1 A 106 106 ASP CA C 106 56.500 57.657 -1.157 1
1 1220 . 10 1 1 A 106 106 ASP CB C 106 40.500 41.254 -0.754 1
1 1221 . 10 1 1 A 106 106 ASP N N 106 119.800 120.109 -0.309 1
1 1222 . 10 1 1 A 107 107 ALA H H 107 7.910 8.289 -0.379 1
1 1223 . 10 1 1 A 107 107 ALA HA H 107 4.150 4.174 -0.024 1
1 1227 . 10 1 1 A 107 107 ALA CA C 107 54.200 54.874 -0.674 1
1 1228 . 10 1 1 A 107 107 ALA CB C 107 18.100 18.283 -0.183 1
1 1229 . 10 1 1 A 107 107 ALA N N 107 121.900 121.588 0.312 1
1 1230 . 10 1 1 A 108 108 LEU H H 108 7.840 7.832 0.008 1
1 1231 . 10 1 1 A 108 108 LEU HA H 108 4.120 4.001 0.119 1
1 1241 . 10 1 1 A 108 108 LEU CA C 108 56.400 57.757 -1.357 1
1 1242 . 10 1 1 A 108 108 LEU CB C 108 42.000 41.202 0.798 1
1 1246 . 10 1 1 A 108 108 LEU N N 108 119.000 119.628 -0.628 1
1 1247 . 10 1 1 A 109 109 GLU H H 109 7.860 8.012 -0.152 1
1 1248 . 10 1 1 A 109 109 GLU HA H 109 4.090 4.305 -0.215 1
1 1253 . 10 1 1 A 109 109 GLU CA C 109 57.000 58.736 -1.736 1
1 1254 . 10 1 1 A 109 109 GLU CB C 109 29.100 30.120 -1.020 1
1 1256 . 10 1 1 A 109 109 GLU N N 109 118.600 119.353 -0.753 1
1 1257 . 10 1 1 A 110 110 HIS H H 110 8.140 8.132 0.008 1
1 1258 . 10 1 1 A 110 110 HIS HA H 110 4.560 4.859 -0.299 1
1 1261 . 10 1 1 A 110 110 HIS CA C 110 55.600 55.280 0.320 1
1 1262 . 10 1 1 A 110 110 HIS CB C 110 28.300 31.567 -3.267 1
1 1263 . 10 1 1 A 110 110 HIS N N 110 117.000 115.849 1.151 1
1 1264 . 10 1 1 A 111 111 HIS H H 111 8.340 7.781 0.559 1
1 1265 . 10 1 1 A 111 111 HIS HA H 111 4.600 4.326 0.274 1
1 1268 . 10 1 1 A 111 111 HIS CA C 111 55.500 59.699 -4.199 1
1 1269 . 10 1 1 A 111 111 HIS CB C 111 28.500 30.070 -1.570 1
1 1270 . 10 1 1 A 111 111 HIS N N 111 117.800 119.610 -1.810 1
1 1271 . 10 1 1 A 112 112 HIS H H 112 8.530 8.144 0.386 1
1 1272 . 10 1 1 A 112 112 HIS HA H 112 4.620 4.141 0.479 1
1 1275 . 10 1 1 A 112 112 HIS CA C 112 55.300 57.139 -1.839 1
1 1276 . 10 1 1 A 112 112 HIS CB C 112 28.800 29.218 -0.418 1
1 1277 . 10 1 1 A 112 112 HIS N N 112 119.000 117.274 1.726 1
1 1278 . 10 1 1 A 113 113 HIS H H 113 8.660 8.195 0.465 1
1 1279 . 10 1 1 A 113 113 HIS HA H 113 4.640 4.566 0.074 1
1 1282 . 10 1 1 A 113 113 HIS CA C 113 55.200 54.733 0.467 1
1 1283 . 10 1 1 A 113 113 HIS CB C 113 28.900 29.793 -0.893 1
1 1284 . 10 1 1 A 113 113 HIS N N 113 120.000 120.149 -0.149 1
1 1285 . 10 1 1 A 114 114 HIS H H 114 8.630 8.504 0.126 1
1 1286 . 10 1 1 A 114 114 HIS HA H 114 4.610 4.417 0.193 1
1 1289 . 10 1 1 A 114 114 HIS CA C 114 55.200 58.101 -2.901 1
1 1290 . 10 1 1 A 114 114 HIS CB C 114 28.900 30.308 -1.408 1
1 1291 . 10 1 1 A 114 114 HIS N N 114 120.800 125.259 -4.459 1
1 9 . 11 1 1 A 2 2 GLN H H 2 8.840 8.389 0.451 1
1 10 . 11 1 1 A 2 2 GLN HA H 2 4.310 4.361 -0.051 1
1 17 . 11 1 1 A 2 2 GLN CA C 2 55.600 55.919 -0.319 1
1 18 . 11 1 1 A 2 2 GLN CB C 2 29.900 29.920 -0.020 1
1 20 . 11 1 1 A 2 2 GLN N N 2 124.000 125.905 -1.905 1
1 22 . 11 1 1 A 3 3 ALA H H 3 8.780 8.612 0.168 1
1 23 . 11 1 1 A 3 3 ALA HA H 3 4.240 4.246 -0.006 1
1 27 . 11 1 1 A 3 3 ALA CA C 3 52.600 51.271 1.329 1
1 28 . 11 1 1 A 3 3 ALA CB C 3 18.800 18.175 0.625 1
1 29 . 11 1 1 A 3 3 ALA N N 3 127.500 123.942 3.558 1
1 30 . 11 1 1 A 4 4 ILE H H 4 8.490 7.888 0.602 1
1 31 . 11 1 1 A 4 4 ILE HA H 4 3.820 3.830 -0.010 1
1 41 . 11 1 1 A 4 4 ILE CA C 4 63.700 64.550 -0.850 1
1 42 . 11 1 1 A 4 4 ILE CB C 4 37.800 37.215 0.585 1
1 46 . 11 1 1 A 4 4 ILE N N 4 120.900 123.754 -2.854 1
1 47 . 11 1 1 A 5 5 THR H H 5 7.730 8.027 -0.297 1
1 48 . 11 1 1 A 5 5 THR HA H 5 3.540 3.834 -0.294 1
1 53 . 11 1 1 A 5 5 THR CA C 5 64.700 65.982 -1.282 1
1 54 . 11 1 1 A 5 5 THR CB C 5 66.700 67.965 -1.265 1
1 56 . 11 1 1 A 5 5 THR N N 5 110.700 113.233 -2.533 1
1 57 . 11 1 1 A 6 6 GLU H H 6 7.220 7.980 -0.760 1
1 58 . 11 1 1 A 6 6 GLU HA H 6 3.940 4.030 -0.090 1
1 63 . 11 1 1 A 6 6 GLU CA C 6 59.200 59.332 -0.132 1
1 64 . 11 1 1 A 6 6 GLU CB C 6 28.900 29.044 -0.144 1
1 66 . 11 1 1 A 6 6 GLU N N 6 120.400 121.770 -1.370 1
1 67 . 11 1 1 A 7 7 ARG H H 7 7.930 7.642 0.288 1
1 68 . 11 1 1 A 7 7 ARG HA H 7 3.950 4.079 -0.129 1
1 75 . 11 1 1 A 7 7 ARG CA C 7 59.100 58.807 0.293 1
1 76 . 11 1 1 A 7 7 ARG CB C 7 30.100 29.698 0.402 1
1 79 . 11 1 1 A 7 7 ARG N N 7 119.900 118.941 0.959 1
1 80 . 11 1 1 A 8 8 LEU H H 8 8.130 8.008 0.122 1
1 81 . 11 1 1 A 8 8 LEU HA H 8 4.150 3.942 0.208 1
1 91 . 11 1 1 A 8 8 LEU CA C 8 57.800 58.100 -0.300 1
1 92 . 11 1 1 A 8 8 LEU CB C 8 41.000 41.203 -0.203 1
1 96 . 11 1 1 A 8 8 LEU N N 8 119.600 121.380 -1.780 1
1 97 . 11 1 1 A 9 9 GLU H H 9 8.530 8.237 0.293 1
1 98 . 11 1 1 A 9 9 GLU HA H 9 4.150 4.050 0.100 1
1 103 . 11 1 1 A 9 9 GLU CA C 9 59.100 59.479 -0.379 1
1 104 . 11 1 1 A 9 9 GLU CB C 9 28.300 29.521 -1.221 1
1 106 . 11 1 1 A 9 9 GLU N N 9 118.200 119.167 -0.967 1
1 107 . 11 1 1 A 10 10 ALA H H 10 7.800 8.255 -0.455 1
1 108 . 11 1 1 A 10 10 ALA HA H 10 4.230 4.128 0.102 1
1 112 . 11 1 1 A 10 10 ALA CA C 10 55.000 55.249 -0.249 1
1 113 . 11 1 1 A 10 10 ALA CB C 10 17.200 18.247 -1.047 1
1 114 . 11 1 1 A 10 10 ALA N N 10 122.900 122.399 0.501 1
1 115 . 11 1 1 A 11 11 MET H H 11 7.700 8.584 -0.884 1
1 116 . 11 1 1 A 11 11 MET HA H 11 4.040 4.171 -0.131 1
1 124 . 11 1 1 A 11 11 MET CA C 11 58.900 58.011 0.889 1
1 125 . 11 1 1 A 11 11 MET CB C 11 31.800 32.551 -0.751 1
1 128 . 11 1 1 A 11 11 MET N N 11 118.800 116.709 2.091 1
1 129 . 11 1 1 A 12 12 LEU H H 12 8.070 8.076 -0.006 1
1 130 . 11 1 1 A 12 12 LEU HA H 12 4.870 4.058 0.812 1
1 140 . 11 1 1 A 12 12 LEU CA C 12 56.900 57.904 -1.004 1
1 141 . 11 1 1 A 12 12 LEU CB C 12 41.900 41.545 0.355 1
1 145 . 11 1 1 A 12 12 LEU N N 12 122.500 123.736 -1.236 1
1 146 . 11 1 1 A 13 13 ALA H H 13 8.150 7.803 0.347 1
1 147 . 11 1 1 A 13 13 ALA HA H 13 4.130 4.241 -0.111 1
1 151 . 11 1 1 A 13 13 ALA CA C 13 54.100 53.651 0.449 1
1 152 . 11 1 1 A 13 13 ALA CB C 13 17.700 18.357 -0.657 1
1 153 . 11 1 1 A 13 13 ALA N N 13 122.300 120.369 1.931 1
1 154 . 11 1 1 A 14 14 GLN H H 14 7.560 7.702 -0.142 1
1 155 . 11 1 1 A 14 14 GLN HA H 14 4.340 4.373 -0.033 1
1 162 . 11 1 1 A 14 14 GLN CA C 14 55.500 55.837 -0.337 1
1 163 . 11 1 1 A 14 14 GLN CB C 14 28.700 29.209 -0.509 1
1 165 . 11 1 1 A 14 14 GLN N N 14 115.100 116.149 -1.049 1
1 167 . 11 1 1 A 15 15 GLY H H 15 7.870 8.217 -0.347 1
1 168 . 11 1 1 A 15 15 GLY HA2 H 15 3.720 3.997 -0.277 1
1 169 . 11 1 1 A 15 15 GLY HA3 H 15 4.430 4.000 0.430 1
1 170 . 11 1 1 A 15 15 GLY CA C 15 45.100 45.717 -0.617 1
1 171 . 11 1 1 A 15 15 GLY N N 15 106.800 107.556 -0.756 1
1 172 . 11 1 1 A 16 16 THR H H 16 7.980 7.757 0.223 1
1 173 . 11 1 1 A 16 16 THR HA H 16 4.190 4.546 -0.356 1
1 178 . 11 1 1 A 16 16 THR CA C 16 62.600 61.361 1.239 1
1 179 . 11 1 1 A 16 16 THR CB C 16 68.800 70.012 -1.212 1
1 181 . 11 1 1 A 16 16 THR N N 16 120.800 114.725 6.075 1
1 182 . 11 1 1 A 17 17 ASP H H 17 8.110 8.810 -0.700 1
1 183 . 11 1 1 A 17 17 ASP HA H 17 4.830 4.963 -0.133 1
1 186 . 11 1 1 A 17 17 ASP CA C 17 53.300 53.620 -0.320 1
1 187 . 11 1 1 A 17 17 ASP CB C 17 42.700 41.754 0.946 1
1 188 . 11 1 1 A 17 17 ASP N N 17 122.800 126.848 -4.048 1
1 189 . 11 1 1 A 18 18 ASN HA H 18 3.460 4.978 -1.518 1
1 194 . 11 1 1 A 18 18 ASN CA C 18 52.200 51.866 0.334 1
1 195 . 11 1 1 A 18 18 ASN CB C 18 39.600 42.233 -2.633 1
1 197 . 11 1 1 A 19 19 MET H H 19 8.260 8.410 -0.150 1
1 198 . 11 1 1 A 19 19 MET HA H 19 3.650 4.195 -0.545 1
1 206 . 11 1 1 A 19 19 MET CA C 19 61.100 57.322 3.778 1
1 207 . 11 1 1 A 19 19 MET CB C 19 32.900 33.487 -0.587 1
1 210 . 11 1 1 A 19 19 MET N N 19 119.100 122.105 -3.005 1
1 211 . 11 1 1 A 20 20 LEU H H 20 8.350 7.538 0.812 1
1 212 . 11 1 1 A 20 20 LEU HA H 20 4.220 4.003 0.217 1
1 222 . 11 1 1 A 20 20 LEU CA C 20 57.500 57.653 -0.153 1
1 223 . 11 1 1 A 20 20 LEU CB C 20 41.200 41.202 -0.002 1
1 227 . 11 1 1 A 20 20 LEU N N 20 120.400 119.959 0.441 1
1 228 . 11 1 1 A 21 21 LEU H H 21 8.520 7.553 0.967 1
1 229 . 11 1 1 A 21 21 LEU HA H 21 3.910 3.984 -0.074 1
1 239 . 11 1 1 A 21 21 LEU CA C 21 59.200 58.484 0.716 1
1 240 . 11 1 1 A 21 21 LEU CB C 21 42.400 41.427 0.973 1
1 244 . 11 1 1 A 21 21 LEU N N 21 125.500 120.141 5.359 1
1 245 . 11 1 1 A 22 22 ARG H H 22 7.830 8.304 -0.474 1
1 246 . 11 1 1 A 22 22 ARG HA H 22 4.230 4.236 -0.006 1
1 253 . 11 1 1 A 22 22 ARG CA C 22 57.300 58.817 -1.517 1
1 254 . 11 1 1 A 22 22 ARG CB C 22 28.800 29.934 -1.134 1
1 257 . 11 1 1 A 22 22 ARG N N 22 117.200 118.058 -0.858 1
1 258 . 11 1 1 A 23 23 PHE H H 23 9.380 7.938 1.442 1
1 259 . 11 1 1 A 23 23 PHE HA H 23 3.950 4.239 -0.289 1
1 267 . 11 1 1 A 23 23 PHE CA C 23 61.500 61.242 0.258 1
1 268 . 11 1 1 A 23 23 PHE CB C 23 40.200 39.329 0.871 1
1 272 . 11 1 1 A 23 23 PHE N N 23 118.500 121.617 -3.117 1
1 273 . 11 1 1 A 24 24 THR H H 24 8.600 8.758 -0.158 1
1 274 . 11 1 1 A 24 24 THR HA H 24 4.030 3.787 0.243 1
1 279 . 11 1 1 A 24 24 THR CA C 24 68.000 65.134 2.866 1
1 280 . 11 1 1 A 24 24 THR CB C 24 67.400 68.404 -1.004 1
1 282 . 11 1 1 A 24 24 THR N N 24 115.400 113.488 1.912 1
1 283 . 11 1 1 A 25 25 LEU H H 25 8.200 8.174 0.026 1
1 284 . 11 1 1 A 25 25 LEU HA H 25 3.390 3.810 -0.420 1
1 294 . 11 1 1 A 25 25 LEU CA C 25 58.200 57.912 0.288 1
1 295 . 11 1 1 A 25 25 LEU CB C 25 42.200 41.897 0.303 1
1 299 . 11 1 1 A 25 25 LEU N N 25 124.500 122.641 1.859 1
1 300 . 11 1 1 A 26 26 GLY H H 26 8.520 7.812 0.708 1
1 301 . 11 1 1 A 26 26 GLY HA2 H 26 3.910 3.598 0.312 1
1 302 . 11 1 1 A 26 26 GLY HA3 H 26 3.570 3.648 -0.078 1
1 303 . 11 1 1 A 26 26 GLY CA C 26 48.400 47.218 1.182 1
1 304 . 11 1 1 A 26 26 GLY N N 26 104.600 105.909 -1.309 1
1 305 . 11 1 1 A 27 27 LYS H H 27 8.730 8.114 0.616 1
1 306 . 11 1 1 A 27 27 LYS HA H 27 2.970 3.741 -0.771 1
1 315 . 11 1 1 A 27 27 LYS CA C 27 59.100 58.390 0.710 1
1 316 . 11 1 1 A 27 27 LYS CB C 27 31.400 31.706 -0.306 1
1 320 . 11 1 1 A 27 27 LYS N N 27 121.200 121.540 -0.340 1
1 321 . 11 1 1 A 28 28 THR H H 28 7.420 7.868 -0.448 1
1 322 . 11 1 1 A 28 28 THR HA H 28 3.680 3.819 -0.139 1
1 327 . 11 1 1 A 28 28 THR CA C 28 67.100 66.339 0.761 1
1 328 . 11 1 1 A 28 28 THR CB C 28 67.700 68.270 -0.570 1
1 330 . 11 1 1 A 28 28 THR N N 28 114.500 116.064 -1.564 1
1 331 . 11 1 1 A 29 29 TYR H H 29 8.220 7.434 0.786 1
1 332 . 11 1 1 A 29 29 TYR HA H 29 4.380 4.231 0.149 1
1 339 . 11 1 1 A 29 29 TYR CA C 29 61.400 60.482 0.918 1
1 340 . 11 1 1 A 29 29 TYR CB C 29 37.100 37.210 -0.110 1
1 343 . 11 1 1 A 29 29 TYR N N 29 120.400 120.762 -0.362 1
1 344 . 11 1 1 A 30 30 ALA H H 30 8.500 7.957 0.543 1
1 345 . 11 1 1 A 30 30 ALA HA H 30 3.770 3.367 0.403 1
1 349 . 11 1 1 A 30 30 ALA CA C 30 56.000 54.952 1.048 1
1 350 . 11 1 1 A 30 30 ALA CB C 30 18.200 17.965 0.235 1
1 351 . 11 1 1 A 30 30 ALA N N 30 123.300 122.714 0.586 1
1 352 . 11 1 1 A 31 31 GLU H H 31 8.940 8.026 0.914 1
1 353 . 11 1 1 A 31 31 GLU HA H 31 4.180 4.035 0.145 1
1 358 . 11 1 1 A 31 31 GLU CA C 31 58.600 58.571 0.029 1
1 359 . 11 1 1 A 31 31 GLU CB C 31 28.700 29.451 -0.751 1
1 361 . 11 1 1 A 31 31 GLU N N 31 120.700 119.431 1.269 1
1 362 . 11 1 1 A 32 32 HIS H H 32 7.340 7.275 0.065 1
1 363 . 11 1 1 A 32 32 HIS HA H 32 4.740 4.521 0.219 1
1 368 . 11 1 1 A 32 32 HIS CA C 32 54.800 55.609 -0.809 1
1 369 . 11 1 1 A 32 32 HIS CB C 32 28.200 29.719 -1.519 1
1 372 . 11 1 1 A 32 32 HIS N N 32 115.300 115.183 0.117 1
1 373 . 11 1 1 A 33 33 GLU H H 33 7.830 7.787 0.043 1
1 374 . 11 1 1 A 33 33 GLU HA H 33 2.500 3.665 -1.165 1
1 379 . 11 1 1 A 33 33 GLU CA C 33 56.800 57.757 -0.957 1
1 380 . 11 1 1 A 33 33 GLU CB C 33 25.000 29.468 -4.468 1
1 382 . 11 1 1 A 33 33 GLU N N 33 112.200 117.869 -5.669 1
1 383 . 11 1 1 A 34 34 GLN H H 34 8.030 8.514 -0.484 1
1 384 . 11 1 1 A 34 34 GLN HA H 34 4.460 4.754 -0.294 1
1 391 . 11 1 1 A 34 34 GLN CA C 34 53.200 54.831 -1.631 1
1 392 . 11 1 1 A 34 34 GLN CB C 34 26.500 28.806 -2.306 1
1 394 . 11 1 1 A 34 34 GLN N N 34 121.000 118.395 2.605 1
1 396 . 11 1 1 A 35 35 PHE H H 35 7.050 7.974 -0.924 1
1 397 . 11 1 1 A 35 35 PHE HA H 35 4.180 4.253 -0.073 1
1 405 . 11 1 1 A 35 35 PHE CA C 35 60.700 60.772 -0.072 1
1 406 . 11 1 1 A 35 35 PHE CB C 35 38.200 38.448 -0.248 1
1 410 . 11 1 1 A 35 35 PHE N N 35 118.600 120.154 -1.554 1
1 411 . 11 1 1 A 36 36 ASP H H 36 8.410 8.367 0.043 1
1 412 . 11 1 1 A 36 36 ASP HA H 36 4.200 4.371 -0.171 1
1 415 . 11 1 1 A 36 36 ASP CA C 36 56.700 57.837 -1.137 1
1 416 . 11 1 1 A 36 36 ASP CB C 36 38.800 42.011 -3.211 1
1 417 . 11 1 1 A 36 36 ASP N N 36 117.000 119.972 -2.972 1
1 418 . 11 1 1 A 37 37 ALA H H 37 7.540 7.960 -0.420 1
1 419 . 11 1 1 A 37 37 ALA HA H 37 3.860 4.026 -0.166 1
1 423 . 11 1 1 A 37 37 ALA CA C 37 52.900 54.517 -1.617 1
1 424 . 11 1 1 A 37 37 ALA CB C 37 16.300 17.773 -1.473 1
1 425 . 11 1 1 A 37 37 ALA N N 37 120.900 120.759 0.141 1
1 426 . 11 1 1 A 38 38 ALA H H 38 7.700 7.859 -0.159 1
1 427 . 11 1 1 A 38 38 ALA HA H 38 4.210 4.082 0.128 1
1 431 . 11 1 1 A 38 38 ALA CA C 38 55.100 55.093 0.007 1
1 432 . 11 1 1 A 38 38 ALA CB C 38 20.500 18.369 2.131 1
1 433 . 11 1 1 A 38 38 ALA N N 38 117.600 120.193 -2.593 1
1 434 . 11 1 1 A 39 39 LEU H H 39 7.430 7.818 -0.388 1
1 435 . 11 1 1 A 39 39 LEU HA H 39 4.050 3.983 0.067 1
1 445 . 11 1 1 A 39 39 LEU CA C 39 60.500 60.111 0.389 1
1 446 . 11 1 1 A 39 39 LEU CB C 39 39.200 40.080 -0.880 1
1 450 . 11 1 1 A 39 39 LEU N N 39 114.900 118.428 -3.528 1
1 451 . 11 1 1 A 40 40 PRO HA H 40 4.180 4.355 -0.175 1
1 458 . 11 1 1 A 40 40 PRO CA C 40 65.100 65.902 -0.802 1
1 459 . 11 1 1 A 40 40 PRO CB C 40 30.600 30.822 -0.222 1
1 462 . 11 1 1 A 41 41 HIS H H 41 6.570 7.656 -1.086 1
1 463 . 11 1 1 A 41 41 HIS HA H 41 4.740 4.236 0.504 1
1 468 . 11 1 1 A 41 41 HIS CA C 41 58.800 59.542 -0.742 1
1 469 . 11 1 1 A 41 41 HIS CB C 41 30.800 30.032 0.768 1
1 472 . 11 1 1 A 41 41 HIS N N 41 116.500 116.278 0.222 1
1 473 . 11 1 1 A 42 42 LEU H H 42 8.140 8.705 -0.565 1
1 474 . 11 1 1 A 42 42 LEU HA H 42 4.120 4.115 0.005 1
1 484 . 11 1 1 A 42 42 LEU CA C 42 57.800 58.272 -0.472 1
1 485 . 11 1 1 A 42 42 LEU CB C 42 42.100 41.493 0.607 1
1 489 . 11 1 1 A 42 42 LEU N N 42 119.900 119.680 0.220 1
1 490 . 11 1 1 A 43 43 ARG H H 43 8.300 8.215 0.085 1
1 491 . 11 1 1 A 43 43 ARG HA H 43 3.740 4.190 -0.450 1
1 498 . 11 1 1 A 43 43 ARG CA C 43 59.700 59.484 0.216 1
1 499 . 11 1 1 A 43 43 ARG CB C 43 28.300 29.805 -1.505 1
1 502 . 11 1 1 A 43 43 ARG N N 43 116.400 119.326 -2.926 1
1 503 . 11 1 1 A 44 44 ALA H H 44 7.850 7.886 -0.036 1
1 504 . 11 1 1 A 44 44 ALA HA H 44 4.060 4.157 -0.097 1
1 508 . 11 1 1 A 44 44 ALA CA C 44 54.600 54.930 -0.330 1
1 509 . 11 1 1 A 44 44 ALA CB C 44 17.000 18.349 -1.349 1
1 510 . 11 1 1 A 44 44 ALA N N 44 121.000 122.276 -1.276 1
1 511 . 11 1 1 A 45 45 ALA H H 45 8.440 7.975 0.465 1
1 512 . 11 1 1 A 45 45 ALA HA H 45 4.270 4.281 -0.011 1
1 516 . 11 1 1 A 45 45 ALA CA C 45 56.200 55.230 0.970 1
1 517 . 11 1 1 A 45 45 ALA CB C 45 17.000 18.540 -1.540 1
1 518 . 11 1 1 A 45 45 ALA N N 45 121.200 120.693 0.507 1
1 519 . 11 1 1 A 46 46 LEU H H 46 7.310 8.034 -0.724 1
1 520 . 11 1 1 A 46 46 LEU HA H 46 4.010 4.086 -0.076 1
1 530 . 11 1 1 A 46 46 LEU CA C 46 55.900 57.801 -1.901 1
1 531 . 11 1 1 A 46 46 LEU CB C 46 42.200 41.218 0.982 1
1 535 . 11 1 1 A 46 46 LEU N N 46 116.800 120.057 -3.257 1
1 536 . 11 1 1 A 47 47 ASP H H 47 7.590 8.107 -0.517 1
1 537 . 11 1 1 A 47 47 ASP HA H 47 4.440 4.249 0.191 1
1 540 . 11 1 1 A 47 47 ASP CA C 47 55.500 57.234 -1.734 1
1 541 . 11 1 1 A 47 47 ASP CB C 47 39.200 41.286 -2.086 1
1 542 . 11 1 1 A 47 47 ASP N N 47 118.900 119.883 -0.983 1
1 543 . 11 1 1 A 48 48 PHE H H 48 7.490 7.588 -0.098 1
1 544 . 11 1 1 A 48 48 PHE HA H 48 4.450 4.326 0.124 1
1 552 . 11 1 1 A 48 48 PHE CA C 48 61.200 59.679 1.521 1
1 553 . 11 1 1 A 48 48 PHE CB C 48 39.600 39.891 -0.291 1
1 557 . 11 1 1 A 48 48 PHE N N 48 117.200 116.059 1.141 1
1 558 . 11 1 1 A 49 49 ASP H H 49 7.790 7.994 -0.204 1
1 559 . 11 1 1 A 49 49 ASP HA H 49 4.980 5.030 -0.050 1
1 562 . 11 1 1 A 49 49 ASP CA C 49 51.000 51.554 -0.554 1
1 563 . 11 1 1 A 49 49 ASP CB C 49 41.800 41.413 0.387 1
1 564 . 11 1 1 A 49 49 ASP N N 49 113.500 117.651 -4.151 1
1 565 . 11 1 1 A 50 50 PRO HA H 50 4.780 4.649 0.131 1
1 572 . 11 1 1 A 50 50 PRO CA C 50 64.000 64.251 -0.251 1
1 573 . 11 1 1 A 50 50 PRO CB C 50 32.000 31.905 0.095 1
1 576 . 11 1 1 A 51 51 THR H H 51 8.640 8.046 0.594 1
1 577 . 11 1 1 A 51 51 THR HA H 51 4.620 4.982 -0.362 1
1 582 . 11 1 1 A 51 51 THR CA C 51 60.900 62.050 -1.150 1
1 583 . 11 1 1 A 51 51 THR CB C 51 68.600 69.507 -0.907 1
1 585 . 11 1 1 A 51 51 THR N N 51 111.900 108.752 3.148 1
1 586 . 11 1 1 A 52 52 TYR H H 52 7.350 7.514 -0.164 1
1 587 . 11 1 1 A 52 52 TYR HA H 52 4.820 4.519 0.301 1
1 594 . 11 1 1 A 52 52 TYR CA C 52 56.100 55.956 0.144 1
1 595 . 11 1 1 A 52 52 TYR CB C 52 35.900 37.474 -1.574 1
1 598 . 11 1 1 A 52 52 TYR N N 52 122.600 124.087 -1.487 1
1 599 . 11 1 1 A 53 53 SER H H 53 8.480 7.596 0.884 1
1 600 . 11 1 1 A 53 53 SER HA H 53 4.170 1.881 2.289 1
1 603 . 11 1 1 A 53 53 SER CA C 53 62.900 61.447 1.453 1
1 604 . 11 1 1 A 53 53 SER CB C 53 62.900 62.528 0.372 1
1 605 . 11 1 1 A 53 53 SER N N 53 127.100 122.046 5.054 1
1 606 . 11 1 1 A 54 54 VAL H H 54 7.860 7.313 0.547 1
1 607 . 11 1 1 A 54 54 VAL HA H 54 3.850 3.480 0.370 1
1 615 . 11 1 1 A 54 54 VAL CA C 54 65.500 66.325 -0.825 1
1 616 . 11 1 1 A 54 54 VAL CB C 54 31.200 31.218 -0.018 1
1 619 . 11 1 1 A 54 54 VAL N N 54 116.800 121.182 -4.382 1
1 620 . 11 1 1 A 55 55 ALA H H 55 7.120 7.916 -0.796 1
1 621 . 11 1 1 A 55 55 ALA HA H 55 4.490 4.560 -0.070 1
1 625 . 11 1 1 A 55 55 ALA CA C 55 55.700 55.260 0.440 1
1 626 . 11 1 1 A 55 55 ALA CB C 55 16.700 18.633 -1.933 1
1 627 . 11 1 1 A 55 55 ALA N N 55 123.000 121.324 1.676 1
1 628 . 11 1 1 A 56 56 TRP H H 56 7.340 7.675 -0.335 1
1 629 . 11 1 1 A 56 56 TRP HA H 56 4.160 4.613 -0.453 1
1 638 . 11 1 1 A 56 56 TRP CA C 56 60.700 59.982 0.718 1
1 639 . 11 1 1 A 56 56 TRP CB C 56 30.100 29.032 1.068 1
1 645 . 11 1 1 A 56 56 TRP N N 56 119.300 118.784 0.516 1
1 647 . 11 1 1 A 57 57 LYS H H 57 8.330 7.886 0.444 1
1 648 . 11 1 1 A 57 57 LYS HA H 57 3.970 4.295 -0.325 1
1 657 . 11 1 1 A 57 57 LYS CA C 57 59.300 59.228 0.072 1
1 658 . 11 1 1 A 57 57 LYS CB C 57 34.400 32.025 2.375 1
1 662 . 11 1 1 A 57 57 LYS N N 57 117.700 120.204 -2.504 1
1 663 . 11 1 1 A 58 58 TRP H H 58 8.170 7.859 0.311 1
1 664 . 11 1 1 A 58 58 TRP HA H 58 4.230 4.659 -0.429 1
1 673 . 11 1 1 A 58 58 TRP CA C 58 61.600 60.077 1.523 1
1 674 . 11 1 1 A 58 58 TRP CB C 58 29.000 29.772 -0.772 1
1 680 . 11 1 1 A 58 58 TRP N N 58 119.100 120.370 -1.270 1
1 682 . 11 1 1 A 59 59 LEU H H 59 9.500 8.791 0.709 1
1 683 . 11 1 1 A 59 59 LEU HA H 59 4.090 4.094 -0.004 1
1 693 . 11 1 1 A 59 59 LEU CA C 59 58.500 58.522 -0.022 1
1 694 . 11 1 1 A 59 59 LEU CB C 59 41.300 42.177 -0.877 1
1 698 . 11 1 1 A 59 59 LEU N N 59 127.300 120.723 6.577 1
1 699 . 11 1 1 A 60 60 GLY H H 60 8.480 7.822 0.658 1
1 700 . 11 1 1 A 60 60 GLY HA2 H 60 3.050 3.105 -0.055 1
1 701 . 11 1 1 A 60 60 GLY HA3 H 60 2.250 3.220 -0.970 1
1 702 . 11 1 1 A 60 60 GLY CA C 60 47.500 46.711 0.789 1
1 703 . 11 1 1 A 60 60 GLY N N 60 105.100 105.113 -0.013 1
1 704 . 11 1 1 A 61 61 LYS H H 61 7.680 7.489 0.191 1
1 705 . 11 1 1 A 61 61 LYS HA H 61 3.890 3.939 -0.049 1
1 714 . 11 1 1 A 61 61 LYS CA C 61 59.300 59.215 0.085 1
1 715 . 11 1 1 A 61 61 LYS CB C 61 32.000 31.798 0.202 1
1 719 . 11 1 1 A 61 61 LYS N N 61 118.600 122.312 -3.712 1
1 720 . 11 1 1 A 62 62 THR H H 62 8.030 8.194 -0.164 1
1 721 . 11 1 1 A 62 62 THR HA H 62 3.780 4.310 -0.530 1
1 726 . 11 1 1 A 62 62 THR CA C 62 67.400 67.266 0.134 1
1 727 . 11 1 1 A 62 62 THR CB C 62 66.300 68.135 -1.835 1
1 729 . 11 1 1 A 62 62 THR N N 62 120.100 117.862 2.238 1
1 730 . 11 1 1 A 63 63 LEU H H 63 8.090 8.129 -0.039 1
1 731 . 11 1 1 A 63 63 LEU HA H 63 4.080 3.835 0.245 1
1 741 . 11 1 1 A 63 63 LEU CA C 63 57.800 57.642 0.158 1
1 742 . 11 1 1 A 63 63 LEU CB C 63 40.800 41.041 -0.241 1
1 746 . 11 1 1 A 63 63 LEU N N 63 121.400 121.086 0.314 1
1 747 . 11 1 1 A 64 64 GLN H H 64 8.300 7.750 0.550 1
1 748 . 11 1 1 A 64 64 GLN HA H 64 3.400 3.883 -0.483 1
1 755 . 11 1 1 A 64 64 GLN CA C 64 59.300 58.547 0.753 1
1 756 . 11 1 1 A 64 64 GLN CB C 64 28.100 28.347 -0.247 1
1 758 . 11 1 1 A 64 64 GLN N N 64 119.500 117.358 2.142 1
1 760 . 11 1 1 A 65 65 GLY H H 65 7.720 7.483 0.237 1
1 761 . 11 1 1 A 65 65 GLY HA2 H 65 2.300 1.631 0.669 1
1 762 . 11 1 1 A 65 65 GLY HA3 H 65 3.430 3.180 0.250 1
1 763 . 11 1 1 A 65 65 GLY CA C 65 46.000 46.034 -0.034 1
1 764 . 11 1 1 A 65 65 GLY N N 65 110.300 108.603 1.697 1
1 765 . 11 1 1 A 66 66 GLN H H 66 7.250 7.292 -0.042 1
1 766 . 11 1 1 A 66 66 GLN HA H 66 4.270 4.182 0.088 1
1 773 . 11 1 1 A 66 66 GLN CA C 66 55.900 57.627 -1.727 1
1 774 . 11 1 1 A 66 66 GLN CB C 66 30.000 29.555 0.445 1
1 776 . 11 1 1 A 66 66 GLN N N 66 117.500 120.182 -2.682 1
1 778 . 11 1 1 A 67 67 GLY H H 67 7.800 7.905 -0.105 1
1 779 . 11 1 1 A 67 67 GLY HA2 H 67 4.230 3.984 0.246 1
1 780 . 11 1 1 A 67 67 GLY HA3 H 67 3.660 4.006 -0.346 1
1 781 . 11 1 1 A 67 67 GLY CA C 67 44.800 44.981 -0.181 1
1 782 . 11 1 1 A 67 67 GLY N N 67 107.400 107.168 0.232 1
1 783 . 11 1 1 A 68 68 ASP H H 68 8.100 7.642 0.458 1
1 784 . 11 1 1 A 68 68 ASP HA H 68 4.780 4.779 0.001 1
1 787 . 11 1 1 A 68 68 ASP CA C 68 51.100 52.587 -1.487 1
1 788 . 11 1 1 A 68 68 ASP CB C 68 38.800 41.339 -2.539 1
1 789 . 11 1 1 A 68 68 ASP N N 68 121.600 120.609 0.991 1
1 790 . 11 1 1 A 69 69 ARG H H 69 7.770 8.587 -0.817 1
1 791 . 11 1 1 A 69 69 ARG HA H 69 3.650 3.839 -0.189 1
1 798 . 11 1 1 A 69 69 ARG CA C 69 59.800 59.380 0.420 1
1 799 . 11 1 1 A 69 69 ARG CB C 69 28.700 29.821 -1.121 1
1 802 . 11 1 1 A 69 69 ARG N N 69 123.700 126.714 -3.014 1
1 803 . 11 1 1 A 70 70 ALA H H 70 8.490 8.145 0.345 1
1 804 . 11 1 1 A 70 70 ALA HA H 70 4.040 4.023 0.017 1
1 808 . 11 1 1 A 70 70 ALA CA C 70 54.700 54.910 -0.210 1
1 809 . 11 1 1 A 70 70 ALA CB C 70 17.800 18.579 -0.779 1
1 810 . 11 1 1 A 70 70 ALA N N 70 122.400 121.789 0.611 1
1 811 . 11 1 1 A 71 71 GLY H H 71 8.540 8.681 -0.141 1
1 812 . 11 1 1 A 71 71 GLY HA2 H 71 3.570 3.676 -0.106 1
1 813 . 11 1 1 A 71 71 GLY HA3 H 71 3.710 3.694 0.016 1
1 814 . 11 1 1 A 71 71 GLY CA C 71 47.100 46.680 0.420 1
1 815 . 11 1 1 A 71 71 GLY N N 71 109.100 106.598 2.502 1
1 816 . 11 1 1 A 72 72 ALA H H 72 8.060 7.796 0.264 1
1 817 . 11 1 1 A 72 72 ALA HA H 72 3.310 3.546 -0.236 1
1 821 . 11 1 1 A 72 72 ALA CA C 72 55.200 54.809 0.391 1
1 822 . 11 1 1 A 72 72 ALA CB C 72 17.200 18.406 -1.206 1
1 823 . 11 1 1 A 72 72 ALA N N 72 126.600 124.860 1.740 1
1 824 . 11 1 1 A 73 73 ARG H H 73 7.840 7.920 -0.080 1
1 825 . 11 1 1 A 73 73 ARG HA H 73 3.760 4.292 -0.532 1
1 832 . 11 1 1 A 73 73 ARG CA C 73 59.700 59.116 0.584 1
1 833 . 11 1 1 A 73 73 ARG CB C 73 29.800 30.184 -0.384 1
1 836 . 11 1 1 A 73 73 ARG N N 73 116.300 117.019 -0.719 1
1 837 . 11 1 1 A 74 74 GLN H H 74 7.690 7.862 -0.172 1
1 838 . 11 1 1 A 74 74 GLN HA H 74 3.970 4.146 -0.176 1
1 845 . 11 1 1 A 74 74 GLN CA C 74 58.800 58.714 0.086 1
1 846 . 11 1 1 A 74 74 GLN CB C 74 28.400 28.668 -0.268 1
1 848 . 11 1 1 A 74 74 GLN N N 74 116.500 118.915 -2.415 1
1 850 . 11 1 1 A 75 75 ALA H H 75 8.160 8.006 0.154 1
1 851 . 11 1 1 A 75 75 ALA HA H 75 4.350 4.082 0.268 1
1 855 . 11 1 1 A 75 75 ALA CA C 75 54.400 54.929 -0.529 1
1 856 . 11 1 1 A 75 75 ALA CB C 75 17.600 18.102 -0.502 1
1 857 . 11 1 1 A 75 75 ALA N N 75 121.900 121.216 0.684 1
1 858 . 11 1 1 A 76 76 TRP H H 76 8.640 8.305 0.335 1
1 859 . 11 1 1 A 76 76 TRP HA H 76 4.640 4.575 0.065 1
1 868 . 11 1 1 A 76 76 TRP CA C 76 58.200 59.892 -1.692 1
1 869 . 11 1 1 A 76 76 TRP CB C 76 27.600 29.183 -1.583 1
1 875 . 11 1 1 A 76 76 TRP N N 76 118.400 119.067 -0.667 1
1 877 . 11 1 1 A 77 77 GLU H H 77 9.050 8.446 0.604 1
1 878 . 11 1 1 A 77 77 GLU HA H 77 4.010 3.970 0.040 1
1 883 . 11 1 1 A 77 77 GLU CA C 77 58.900 59.906 -1.006 1
1 884 . 11 1 1 A 77 77 GLU CB C 77 28.100 29.316 -1.216 1
1 886 . 11 1 1 A 77 77 GLU N N 77 121.000 120.033 0.967 1
1 887 . 11 1 1 A 78 78 SER H H 78 8.280 8.157 0.123 1
1 888 . 11 1 1 A 78 78 SER HA H 78 3.800 4.188 -0.388 1
1 891 . 11 1 1 A 78 78 SER CA C 78 62.400 62.703 -0.303 1
1 892 . 11 1 1 A 78 78 SER CB C 78 68.000 62.365 5.635 1
1 893 . 11 1 1 A 78 78 SER N N 78 120.000 117.356 2.644 1
1 894 . 11 1 1 A 79 79 GLY H H 79 8.580 8.656 -0.076 1
1 895 . 11 1 1 A 79 79 GLY HA2 H 79 3.470 3.491 -0.021 1
1 896 . 11 1 1 A 79 79 GLY HA3 H 79 3.580 3.857 -0.277 1
1 897 . 11 1 1 A 79 79 GLY CA C 79 47.000 47.254 -0.254 1
1 898 . 11 1 1 A 79 79 GLY N N 79 111.000 109.587 1.413 1
1 899 . 11 1 1 A 80 80 LEU H H 80 8.640 8.791 -0.151 1
1 900 . 11 1 1 A 80 80 LEU HA H 80 3.830 4.097 -0.267 1
1 910 . 11 1 1 A 80 80 LEU CA C 80 58.200 57.773 0.427 1
1 911 . 11 1 1 A 80 80 LEU CB C 80 41.800 41.689 0.111 1
1 915 . 11 1 1 A 80 80 LEU N N 80 125.600 123.036 2.564 1
1 916 . 11 1 1 A 81 81 ALA H H 81 7.400 8.346 -0.946 1
1 917 . 11 1 1 A 81 81 ALA HA H 81 4.140 3.942 0.198 1
1 921 . 11 1 1 A 81 81 ALA CA C 81 54.600 55.179 -0.579 1
1 922 . 11 1 1 A 81 81 ALA CB C 81 17.500 18.104 -0.604 1
1 923 . 11 1 1 A 81 81 ALA N N 81 120.400 120.627 -0.227 1
1 924 . 11 1 1 A 82 82 ALA H H 82 7.640 7.861 -0.221 1
1 925 . 11 1 1 A 82 82 ALA HA H 82 4.160 3.852 0.308 1
1 929 . 11 1 1 A 82 82 ALA CA C 82 54.700 54.637 0.063 1
1 930 . 11 1 1 A 82 82 ALA CB C 82 17.200 18.024 -0.824 1
1 931 . 11 1 1 A 82 82 ALA N N 82 120.900 120.079 0.821 1
1 932 . 11 1 1 A 83 83 ALA H H 83 8.910 8.147 0.763 1
1 933 . 11 1 1 A 83 83 ALA HA H 83 4.260 4.462 -0.202 1
1 937 . 11 1 1 A 83 83 ALA CA C 83 54.900 55.298 -0.398 1
1 938 . 11 1 1 A 83 83 ALA CB C 83 18.600 18.490 0.110 1
1 939 . 11 1 1 A 83 83 ALA N N 83 122.000 120.070 1.930 1
1 940 . 11 1 1 A 84 84 GLN H H 84 8.770 8.483 0.287 1
1 941 . 11 1 1 A 84 84 GLN HA H 84 3.940 4.073 -0.133 1
1 948 . 11 1 1 A 84 84 GLN CA C 84 58.800 59.268 -0.468 1
1 949 . 11 1 1 A 84 84 GLN CB C 84 28.200 28.336 -0.136 1
1 951 . 11 1 1 A 84 84 GLN N N 84 118.400 118.844 -0.444 1
1 953 . 11 1 1 A 85 85 SER H H 85 7.920 8.204 -0.284 1
1 954 . 11 1 1 A 85 85 SER HA H 85 4.250 4.194 0.056 1
1 957 . 11 1 1 A 85 85 SER CA C 85 61.200 61.252 -0.052 1
1 958 . 11 1 1 A 85 85 SER CB C 85 62.700 62.939 -0.239 1
1 959 . 11 1 1 A 85 85 SER N N 85 115.200 115.132 0.068 1
1 960 . 11 1 1 A 86 86 ARG H H 86 7.590 8.035 -0.445 1
1 961 . 11 1 1 A 86 86 ARG HA H 86 4.380 4.437 -0.057 1
1 968 . 11 1 1 A 86 86 ARG CA C 86 55.800 56.507 -0.707 1
1 969 . 11 1 1 A 86 86 ARG CB C 86 31.200 30.924 0.276 1
1 972 . 11 1 1 A 86 86 ARG N N 86 117.800 118.855 -1.055 1
1 973 . 11 1 1 A 87 87 GLY H H 87 7.790 7.942 -0.152 1
1 974 . 11 1 1 A 87 87 GLY HA2 H 87 3.870 3.918 -0.048 1
1 975 . 11 1 1 A 87 87 GLY HA3 H 87 4.080 3.920 0.160 1
1 976 . 11 1 1 A 87 87 GLY CA C 87 46.100 45.669 0.431 1
1 977 . 11 1 1 A 87 87 GLY N N 87 109.100 108.194 0.906 1
1 978 . 11 1 1 A 88 88 ASP H H 88 8.210 8.245 -0.035 1
1 979 . 11 1 1 A 88 88 ASP HA H 88 4.830 4.889 -0.059 1
1 982 . 11 1 1 A 88 88 ASP CA C 88 52.100 52.683 -0.583 1
1 983 . 11 1 1 A 88 88 ASP CB C 88 39.000 39.239 -0.239 1
1 984 . 11 1 1 A 88 88 ASP N N 88 120.200 121.104 -0.904 1
1 985 . 11 1 1 A 89 89 GLN H H 89 8.110 8.101 0.009 1
1 986 . 11 1 1 A 89 89 GLN HA H 89 3.840 4.022 -0.182 1
1 993 . 11 1 1 A 89 89 GLN CA C 89 58.500 59.119 -0.619 1
1 994 . 11 1 1 A 89 89 GLN CB C 89 28.000 28.544 -0.544 1
1 996 . 11 1 1 A 89 89 GLN N N 89 122.400 122.748 -0.348 1
1 998 . 11 1 1 A 90 90 GLN H H 90 8.720 7.805 0.915 1
1 999 . 11 1 1 A 90 90 GLN HA H 90 4.000 4.039 -0.039 1
1 1006 . 11 1 1 A 90 90 GLN CA C 90 58.800 58.668 0.132 1
1 1007 . 11 1 1 A 90 90 GLN CB C 90 27.800 28.220 -0.420 1
1 1009 . 11 1 1 A 90 90 GLN N N 90 119.100 120.099 -0.999 1
1 1011 . 11 1 1 A 91 91 VAL H H 91 7.170 7.862 -0.692 1
1 1012 . 11 1 1 A 91 91 VAL HA H 91 3.660 3.608 0.052 1
1 1020 . 11 1 1 A 91 91 VAL CA C 91 65.500 66.340 -0.840 1
1 1021 . 11 1 1 A 91 91 VAL CB C 91 31.300 31.576 -0.276 1
1 1024 . 11 1 1 A 91 91 VAL N N 91 119.900 119.484 0.416 1
1 1025 . 11 1 1 A 92 92 VAL H H 92 7.880 7.830 0.050 1
1 1026 . 11 1 1 A 92 92 VAL HA H 92 3.240 3.542 -0.302 1
1 1034 . 11 1 1 A 92 92 VAL CA C 92 67.300 66.993 0.307 1
1 1035 . 11 1 1 A 92 92 VAL CB C 92 31.500 31.495 0.005 1
1 1038 . 11 1 1 A 92 92 VAL N N 92 119.900 120.673 -0.773 1
1 1039 . 11 1 1 A 93 93 LYS H H 93 7.480 8.102 -0.622 1
1 1040 . 11 1 1 A 93 93 LYS HA H 93 3.920 3.822 0.098 1
1 1049 . 11 1 1 A 93 93 LYS CA C 93 59.300 60.104 -0.804 1
1 1050 . 11 1 1 A 93 93 LYS CB C 93 31.900 32.081 -0.181 1
1 1054 . 11 1 1 A 93 93 LYS N N 93 116.000 118.673 -2.673 1
1 1055 . 11 1 1 A 94 94 GLU H H 94 7.480 8.049 -0.569 1
1 1056 . 11 1 1 A 94 94 GLU HA H 94 3.580 3.849 -0.269 1
1 1061 . 11 1 1 A 94 94 GLU CA C 94 58.600 58.880 -0.280 1
1 1062 . 11 1 1 A 94 94 GLU CB C 94 29.500 29.246 0.254 1
1 1064 . 11 1 1 A 94 94 GLU N N 94 117.500 120.519 -3.019 1
1 1065 . 11 1 1 A 95 95 LEU H H 95 8.370 8.329 0.041 1
1 1066 . 11 1 1 A 95 95 LEU HA H 95 3.530 4.040 -0.510 1
1 1076 . 11 1 1 A 95 95 LEU CA C 95 57.600 57.572 0.028 1
1 1077 . 11 1 1 A 95 95 LEU CB C 95 40.900 41.122 -0.222 1
1 1081 . 11 1 1 A 95 95 LEU N N 95 117.500 120.030 -2.530 1
1 1082 . 11 1 1 A 96 96 GLN H H 96 8.330 8.391 -0.061 1
1 1083 . 11 1 1 A 96 96 GLN HA H 96 3.980 3.815 0.165 1
1 1090 . 11 1 1 A 96 96 GLN CA C 96 58.900 59.337 -0.437 1
1 1091 . 11 1 1 A 96 96 GLN CB C 96 28.100 28.020 0.080 1
1 1093 . 11 1 1 A 96 96 GLN N N 96 117.600 119.423 -1.823 1
1 1095 . 11 1 1 A 97 97 VAL H H 97 7.450 7.678 -0.228 1
1 1096 . 11 1 1 A 97 97 VAL HA H 97 3.450 3.435 0.015 1
1 1104 . 11 1 1 A 97 97 VAL CA C 97 66.700 66.147 0.553 1
1 1105 . 11 1 1 A 97 97 VAL CB C 97 31.000 31.141 -0.141 1
1 1108 . 11 1 1 A 97 97 VAL N N 97 120.300 118.991 1.309 1
1 1109 . 11 1 1 A 98 98 PHE H H 98 7.460 6.682 0.778 1
1 1110 . 11 1 1 A 98 98 PHE HA H 98 3.980 4.004 -0.024 1
1 1118 . 11 1 1 A 98 98 PHE CA C 98 58.700 60.886 -2.186 1
1 1119 . 11 1 1 A 98 98 PHE CB C 98 35.500 37.746 -2.246 1
1 1123 . 11 1 1 A 98 98 PHE N N 98 119.100 117.947 1.153 1
1 1124 . 11 1 1 A 99 99 LEU H H 99 8.330 7.895 0.435 1
1 1125 . 11 1 1 A 99 99 LEU HA H 99 4.090 3.749 0.341 1
1 1135 . 11 1 1 A 99 99 LEU CA C 99 57.800 57.525 0.275 1
1 1136 . 11 1 1 A 99 99 LEU CB C 99 41.800 41.211 0.589 1
1 1140 . 11 1 1 A 99 99 LEU N N 99 119.300 119.518 -0.218 1
1 1141 . 11 1 1 A 100 100 ARG H H 100 8.350 7.788 0.562 1
1 1142 . 11 1 1 A 100 100 ARG HA H 100 4.110 3.990 0.120 1
1 1149 . 11 1 1 A 100 100 ARG CA C 100 59.300 59.493 -0.193 1
1 1150 . 11 1 1 A 100 100 ARG CB C 100 29.900 30.151 -0.251 1
1 1153 . 11 1 1 A 100 100 ARG N N 100 121.900 119.895 2.005 1
1 1154 . 11 1 1 A 101 101 ARG H H 101 8.110 7.393 0.717 1
1 1155 . 11 1 1 A 101 101 ARG HA H 101 4.020 4.082 -0.062 1
1 1162 . 11 1 1 A 101 101 ARG CA C 101 57.600 58.787 -1.187 1
1 1163 . 11 1 1 A 101 101 ARG CB C 101 30.200 29.876 0.324 1
1 1166 . 11 1 1 A 101 101 ARG N N 101 120.500 120.086 0.414 1
1 1167 . 11 1 1 A 102 102 LEU H H 102 7.890 8.198 -0.308 1
1 1168 . 11 1 1 A 102 102 LEU HA H 102 4.150 4.170 -0.020 1
1 1178 . 11 1 1 A 102 102 LEU CA C 102 57.600 57.873 -0.273 1
1 1179 . 11 1 1 A 102 102 LEU CB C 102 42.300 41.400 0.900 1
1 1183 . 11 1 1 A 102 102 LEU N N 102 119.900 120.798 -0.898 1
1 1184 . 11 1 1 A 103 103 ALA H H 103 7.880 8.653 -0.773 1
1 1185 . 11 1 1 A 103 103 ALA HA H 103 4.170 4.054 0.116 1
1 1189 . 11 1 1 A 103 103 ALA CA C 103 54.700 54.962 -0.262 1
1 1190 . 11 1 1 A 103 103 ALA CB C 103 17.800 18.217 -0.417 1
1 1191 . 11 1 1 A 103 103 ALA N N 103 120.000 120.594 -0.594 1
1 1192 . 11 1 1 A 104 104 ARG H H 104 8.060 8.273 -0.213 1
1 1193 . 11 1 1 A 104 104 ARG HA H 104 4.130 4.072 0.058 1
1 1200 . 11 1 1 A 104 104 ARG CA C 104 58.500 59.825 -1.325 1
1 1201 . 11 1 1 A 104 104 ARG CB C 104 29.800 29.980 -0.180 1
1 1204 . 11 1 1 A 104 104 ARG N N 104 119.800 117.645 2.155 1
1 1205 . 11 1 1 A 105 105 GLU H H 105 8.050 7.993 0.057 1
1 1206 . 11 1 1 A 105 105 GLU HA H 105 4.020 4.142 -0.122 1
1 1211 . 11 1 1 A 105 105 GLU CA C 105 58.500 59.558 -1.058 1
1 1212 . 11 1 1 A 105 105 GLU CB C 105 28.900 28.977 -0.077 1
1 1214 . 11 1 1 A 105 105 GLU N N 105 119.700 119.725 -0.025 1
1 1215 . 11 1 1 A 106 106 ASP H H 106 8.360 8.783 -0.423 1
1 1216 . 11 1 1 A 106 106 ASP HA H 106 4.380 4.390 -0.010 1
1 1219 . 11 1 1 A 106 106 ASP CA C 106 56.500 57.799 -1.299 1
1 1220 . 11 1 1 A 106 106 ASP CB C 106 40.500 41.468 -0.968 1
1 1221 . 11 1 1 A 106 106 ASP N N 106 119.800 120.034 -0.234 1
1 1222 . 11 1 1 A 107 107 ALA H H 107 7.910 8.372 -0.462 1
1 1223 . 11 1 1 A 107 107 ALA HA H 107 4.150 4.219 -0.069 1
1 1227 . 11 1 1 A 107 107 ALA CA C 107 54.200 54.867 -0.667 1
1 1228 . 11 1 1 A 107 107 ALA CB C 107 18.100 18.664 -0.564 1
1 1229 . 11 1 1 A 107 107 ALA N N 107 121.900 121.848 0.052 1
1 1230 . 11 1 1 A 108 108 LEU H H 108 7.840 7.945 -0.105 1
1 1231 . 11 1 1 A 108 108 LEU HA H 108 4.120 3.986 0.134 1
1 1241 . 11 1 1 A 108 108 LEU CA C 108 56.400 58.018 -1.618 1
1 1242 . 11 1 1 A 108 108 LEU CB C 108 42.000 41.480 0.520 1
1 1246 . 11 1 1 A 108 108 LEU N N 108 119.000 118.855 0.145 1
1 1247 . 11 1 1 A 109 109 GLU H H 109 7.860 8.172 -0.312 1
1 1248 . 11 1 1 A 109 109 GLU HA H 109 4.090 4.606 -0.516 1
1 1253 . 11 1 1 A 109 109 GLU CA C 109 57.000 57.498 -0.498 1
1 1254 . 11 1 1 A 109 109 GLU CB C 109 29.100 30.460 -1.360 1
1 1256 . 11 1 1 A 109 109 GLU N N 109 118.600 116.433 2.167 1
1 1257 . 11 1 1 A 110 110 HIS H H 110 8.140 8.606 -0.466 1
1 1258 . 11 1 1 A 110 110 HIS HA H 110 4.560 4.452 0.108 1
1 1261 . 11 1 1 A 110 110 HIS CA C 110 55.600 57.645 -2.045 1
1 1262 . 11 1 1 A 110 110 HIS CB C 110 28.300 30.265 -1.965 1
1 1263 . 11 1 1 A 110 110 HIS N N 110 117.000 121.065 -4.065 1
1 1264 . 11 1 1 A 111 111 HIS H H 111 8.340 7.792 0.548 1
1 1265 . 11 1 1 A 111 111 HIS HA H 111 4.600 4.167 0.433 1
1 1268 . 11 1 1 A 111 111 HIS CA C 111 55.500 59.936 -4.436 1
1 1269 . 11 1 1 A 111 111 HIS CB C 111 28.500 30.277 -1.777 1
1 1270 . 11 1 1 A 111 111 HIS N N 111 117.800 119.673 -1.873 1
1 1271 . 11 1 1 A 112 112 HIS H H 112 8.530 7.945 0.585 1
1 1272 . 11 1 1 A 112 112 HIS HA H 112 4.620 4.638 -0.018 1
1 1275 . 11 1 1 A 112 112 HIS CA C 112 55.300 54.095 1.205 1
1 1276 . 11 1 1 A 112 112 HIS CB C 112 28.800 29.534 -0.734 1
1 1277 . 11 1 1 A 112 112 HIS N N 112 119.000 117.122 1.878 1
1 1278 . 11 1 1 A 113 113 HIS H H 113 8.660 8.646 0.014 1
1 1279 . 11 1 1 A 113 113 HIS HA H 113 4.640 4.764 -0.124 1
1 1282 . 11 1 1 A 113 113 HIS CA C 113 55.200 54.694 0.506 1
1 1283 . 11 1 1 A 113 113 HIS CB C 113 28.900 33.327 -4.427 1
1 1284 . 11 1 1 A 113 113 HIS N N 113 120.000 122.514 -2.514 1
1 1285 . 11 1 1 A 114 114 HIS H H 114 8.630 8.816 -0.186 1
1 1286 . 11 1 1 A 114 114 HIS HA H 114 4.610 4.517 0.093 1
1 1289 . 11 1 1 A 114 114 HIS CA C 114 55.200 57.815 -2.615 1
1 1290 . 11 1 1 A 114 114 HIS CB C 114 28.900 30.647 -1.747 1
1 1291 . 11 1 1 A 114 114 HIS N N 114 120.800 124.245 -3.445 1
1 9 . 12 1 1 A 2 2 GLN H H 2 8.840 8.346 0.494 1
1 10 . 12 1 1 A 2 2 GLN HA H 2 4.310 4.277 0.033 1
1 17 . 12 1 1 A 2 2 GLN CA C 2 55.600 56.091 -0.491 1
1 18 . 12 1 1 A 2 2 GLN CB C 2 29.900 29.681 0.219 1
1 20 . 12 1 1 A 2 2 GLN N N 2 124.000 126.417 -2.417 1
1 22 . 12 1 1 A 3 3 ALA H H 3 8.780 8.689 0.091 1
1 23 . 12 1 1 A 3 3 ALA HA H 3 4.240 4.435 -0.195 1
1 27 . 12 1 1 A 3 3 ALA CA C 3 52.600 52.276 0.324 1
1 28 . 12 1 1 A 3 3 ALA CB C 3 18.800 18.589 0.211 1
1 29 . 12 1 1 A 3 3 ALA N N 3 127.500 127.269 0.231 1
1 30 . 12 1 1 A 4 4 ILE H H 4 8.490 8.542 -0.052 1
1 31 . 12 1 1 A 4 4 ILE HA H 4 3.820 3.895 -0.075 1
1 41 . 12 1 1 A 4 4 ILE CA C 4 63.700 63.952 -0.252 1
1 42 . 12 1 1 A 4 4 ILE CB C 4 37.800 37.050 0.750 1
1 46 . 12 1 1 A 4 4 ILE N N 4 120.900 124.381 -3.481 1
1 47 . 12 1 1 A 5 5 THR H H 5 7.730 7.862 -0.132 1
1 48 . 12 1 1 A 5 5 THR HA H 5 3.540 3.596 -0.056 1
1 53 . 12 1 1 A 5 5 THR CA C 5 64.700 66.317 -1.617 1
1 54 . 12 1 1 A 5 5 THR CB C 5 66.700 68.396 -1.696 1
1 56 . 12 1 1 A 5 5 THR N N 5 110.700 116.099 -5.399 1
1 57 . 12 1 1 A 6 6 GLU H H 6 7.220 8.027 -0.807 1
1 58 . 12 1 1 A 6 6 GLU HA H 6 3.940 3.961 -0.021 1
1 63 . 12 1 1 A 6 6 GLU CA C 6 59.200 59.422 -0.222 1
1 64 . 12 1 1 A 6 6 GLU CB C 6 28.900 29.819 -0.919 1
1 66 . 12 1 1 A 6 6 GLU N N 6 120.400 121.042 -0.642 1
1 67 . 12 1 1 A 7 7 ARG H H 7 7.930 8.047 -0.117 1
1 68 . 12 1 1 A 7 7 ARG HA H 7 3.950 4.078 -0.128 1
1 75 . 12 1 1 A 7 7 ARG CA C 7 59.100 58.854 0.246 1
1 76 . 12 1 1 A 7 7 ARG CB C 7 30.100 29.667 0.433 1
1 79 . 12 1 1 A 7 7 ARG N N 7 119.900 119.032 0.868 1
1 80 . 12 1 1 A 8 8 LEU H H 8 8.130 8.171 -0.041 1
1 81 . 12 1 1 A 8 8 LEU HA H 8 4.150 3.915 0.235 1
1 91 . 12 1 1 A 8 8 LEU CA C 8 57.800 57.954 -0.154 1
1 92 . 12 1 1 A 8 8 LEU CB C 8 41.000 41.403 -0.403 1
1 96 . 12 1 1 A 8 8 LEU N N 8 119.600 120.821 -1.221 1
1 97 . 12 1 1 A 9 9 GLU H H 9 8.530 8.727 -0.197 1
1 98 . 12 1 1 A 9 9 GLU HA H 9 4.150 3.985 0.165 1
1 103 . 12 1 1 A 9 9 GLU CA C 9 59.100 59.495 -0.395 1
1 104 . 12 1 1 A 9 9 GLU CB C 9 28.300 29.441 -1.141 1
1 106 . 12 1 1 A 9 9 GLU N N 9 118.200 120.805 -2.605 1
1 107 . 12 1 1 A 10 10 ALA H H 10 7.800 8.151 -0.351 1
1 108 . 12 1 1 A 10 10 ALA HA H 10 4.230 4.086 0.144 1
1 112 . 12 1 1 A 10 10 ALA CA C 10 55.000 54.878 0.122 1
1 113 . 12 1 1 A 10 10 ALA CB C 10 17.200 18.391 -1.191 1
1 114 . 12 1 1 A 10 10 ALA N N 10 122.900 121.770 1.130 1
1 115 . 12 1 1 A 11 11 MET H H 11 7.700 7.719 -0.019 1
1 116 . 12 1 1 A 11 11 MET HA H 11 4.040 4.194 -0.154 1
1 124 . 12 1 1 A 11 11 MET CA C 11 58.900 58.179 0.721 1
1 125 . 12 1 1 A 11 11 MET CB C 11 31.800 31.836 -0.036 1
1 128 . 12 1 1 A 11 11 MET N N 11 118.800 116.936 1.864 1
1 129 . 12 1 1 A 12 12 LEU H H 12 8.070 7.744 0.326 1
1 130 . 12 1 1 A 12 12 LEU HA H 12 4.870 3.953 0.917 1
1 140 . 12 1 1 A 12 12 LEU CA C 12 56.900 57.847 -0.947 1
1 141 . 12 1 1 A 12 12 LEU CB C 12 41.900 41.468 0.432 1
1 145 . 12 1 1 A 12 12 LEU N N 12 122.500 120.727 1.773 1
1 146 . 12 1 1 A 13 13 ALA H H 13 8.150 7.634 0.516 1
1 147 . 12 1 1 A 13 13 ALA HA H 13 4.130 4.151 -0.021 1
1 151 . 12 1 1 A 13 13 ALA CA C 13 54.100 54.287 -0.187 1
1 152 . 12 1 1 A 13 13 ALA CB C 13 17.700 18.308 -0.608 1
1 153 . 12 1 1 A 13 13 ALA N N 13 122.300 121.900 0.400 1
1 154 . 12 1 1 A 14 14 GLN H H 14 7.560 7.602 -0.042 1
1 155 . 12 1 1 A 14 14 GLN HA H 14 4.340 4.363 -0.023 1
1 162 . 12 1 1 A 14 14 GLN CA C 14 55.500 55.927 -0.427 1
1 163 . 12 1 1 A 14 14 GLN CB C 14 28.700 29.265 -0.565 1
1 165 . 12 1 1 A 14 14 GLN N N 14 115.100 115.937 -0.837 1
1 167 . 12 1 1 A 15 15 GLY H H 15 7.870 7.791 0.079 1
1 168 . 12 1 1 A 15 15 GLY HA2 H 15 3.720 3.996 -0.276 1
1 169 . 12 1 1 A 15 15 GLY HA3 H 15 4.430 3.997 0.433 1
1 170 . 12 1 1 A 15 15 GLY CA C 15 45.100 45.197 -0.097 1
1 171 . 12 1 1 A 15 15 GLY N N 15 106.800 106.926 -0.126 1
1 172 . 12 1 1 A 16 16 THR H H 16 7.980 7.628 0.352 1
1 173 . 12 1 1 A 16 16 THR HA H 16 4.190 4.304 -0.114 1
1 178 . 12 1 1 A 16 16 THR CA C 16 62.600 61.493 1.107 1
1 179 . 12 1 1 A 16 16 THR CB C 16 68.800 66.935 1.865 1
1 181 . 12 1 1 A 16 16 THR N N 16 120.800 115.904 4.896 1
1 182 . 12 1 1 A 17 17 ASP H H 17 8.110 8.055 0.055 1
1 183 . 12 1 1 A 17 17 ASP HA H 17 4.830 5.081 -0.251 1
1 186 . 12 1 1 A 17 17 ASP CA C 17 53.300 53.492 -0.192 1
1 187 . 12 1 1 A 17 17 ASP CB C 17 42.700 42.698 0.002 1
1 188 . 12 1 1 A 17 17 ASP N N 17 122.800 127.970 -5.170 1
1 189 . 12 1 1 A 18 18 ASN HA H 18 3.460 4.893 -1.433 1
1 194 . 12 1 1 A 18 18 ASN CA C 18 52.200 54.030 -1.830 1
1 195 . 12 1 1 A 18 18 ASN CB C 18 39.600 40.336 -0.736 1
1 197 . 12 1 1 A 19 19 MET H H 19 8.260 8.037 0.223 1
1 198 . 12 1 1 A 19 19 MET HA H 19 3.650 4.768 -1.118 1
1 206 . 12 1 1 A 19 19 MET CA C 19 61.100 56.727 4.373 1
1 207 . 12 1 1 A 19 19 MET CB C 19 32.900 34.579 -1.679 1
1 210 . 12 1 1 A 19 19 MET N N 19 119.100 114.641 4.459 1
1 211 . 12 1 1 A 20 20 LEU H H 20 8.350 7.851 0.499 1
1 212 . 12 1 1 A 20 20 LEU HA H 20 4.220 4.303 -0.083 1
1 222 . 12 1 1 A 20 20 LEU CA C 20 57.500 54.288 3.212 1
1 223 . 12 1 1 A 20 20 LEU CB C 20 41.200 40.909 0.291 1
1 227 . 12 1 1 A 20 20 LEU N N 20 120.400 120.554 -0.154 1
1 228 . 12 1 1 A 21 21 LEU H H 21 8.520 8.730 -0.210 1
1 229 . 12 1 1 A 21 21 LEU HA H 21 3.910 4.458 -0.548 1
1 239 . 12 1 1 A 21 21 LEU CA C 21 59.200 55.477 3.723 1
1 240 . 12 1 1 A 21 21 LEU CB C 21 42.400 44.110 -1.710 1
1 244 . 12 1 1 A 21 21 LEU N N 21 125.500 122.526 2.974 1
1 245 . 12 1 1 A 22 22 ARG H H 22 7.830 8.132 -0.302 1
1 246 . 12 1 1 A 22 22 ARG HA H 22 4.230 4.092 0.138 1
1 253 . 12 1 1 A 22 22 ARG CA C 22 57.300 57.851 -0.551 1
1 254 . 12 1 1 A 22 22 ARG CB C 22 28.800 29.155 -0.355 1
1 257 . 12 1 1 A 22 22 ARG N N 22 117.200 120.552 -3.352 1
1 258 . 12 1 1 A 23 23 PHE H H 23 9.380 8.182 1.198 1
1 259 . 12 1 1 A 23 23 PHE HA H 23 3.950 4.269 -0.319 1
1 267 . 12 1 1 A 23 23 PHE CA C 23 61.500 60.104 1.396 1
1 268 . 12 1 1 A 23 23 PHE CB C 23 40.200 37.808 2.392 1
1 272 . 12 1 1 A 23 23 PHE N N 23 118.500 118.451 0.049 1
1 273 . 12 1 1 A 24 24 THR H H 24 8.600 6.754 1.846 1
1 274 . 12 1 1 A 24 24 THR HA H 24 4.030 3.607 0.423 1
1 279 . 12 1 1 A 24 24 THR CA C 24 68.000 66.305 1.695 1
1 280 . 12 1 1 A 24 24 THR CB C 24 67.400 67.524 -0.124 1
1 282 . 12 1 1 A 24 24 THR N N 24 115.400 115.591 -0.191 1
1 283 . 12 1 1 A 25 25 LEU H H 25 8.200 7.786 0.414 1
1 284 . 12 1 1 A 25 25 LEU HA H 25 3.390 3.501 -0.111 1
1 294 . 12 1 1 A 25 25 LEU CA C 25 58.200 57.761 0.439 1
1 295 . 12 1 1 A 25 25 LEU CB C 25 42.200 41.461 0.739 1
1 299 . 12 1 1 A 25 25 LEU N N 25 124.500 121.288 3.212 1
1 300 . 12 1 1 A 26 26 GLY H H 26 8.520 7.746 0.774 1
1 301 . 12 1 1 A 26 26 GLY HA2 H 26 3.910 3.720 0.190 1
1 302 . 12 1 1 A 26 26 GLY HA3 H 26 3.570 3.932 -0.362 1
1 303 . 12 1 1 A 26 26 GLY CA C 26 48.400 47.039 1.361 1
1 304 . 12 1 1 A 26 26 GLY N N 26 104.600 105.535 -0.935 1
1 305 . 12 1 1 A 27 27 LYS H H 27 8.730 7.508 1.222 1
1 306 . 12 1 1 A 27 27 LYS HA H 27 2.970 3.225 -0.255 1
1 315 . 12 1 1 A 27 27 LYS CA C 27 59.100 59.025 0.075 1
1 316 . 12 1 1 A 27 27 LYS CB C 27 31.400 31.839 -0.439 1
1 320 . 12 1 1 A 27 27 LYS N N 27 121.200 121.569 -0.369 1
1 321 . 12 1 1 A 28 28 THR H H 28 7.420 7.565 -0.145 1
1 322 . 12 1 1 A 28 28 THR HA H 28 3.680 3.680 0.000 1
1 327 . 12 1 1 A 28 28 THR CA C 28 67.100 66.225 0.875 1
1 328 . 12 1 1 A 28 28 THR CB C 28 67.700 68.031 -0.331 1
1 330 . 12 1 1 A 28 28 THR N N 28 114.500 117.255 -2.755 1
1 331 . 12 1 1 A 29 29 TYR H H 29 8.220 7.573 0.647 1
1 332 . 12 1 1 A 29 29 TYR HA H 29 4.380 4.313 0.067 1
1 339 . 12 1 1 A 29 29 TYR CA C 29 61.400 59.661 1.739 1
1 340 . 12 1 1 A 29 29 TYR CB C 29 37.100 37.230 -0.130 1
1 343 . 12 1 1 A 29 29 TYR N N 29 120.400 120.722 -0.322 1
1 344 . 12 1 1 A 30 30 ALA H H 30 8.500 8.175 0.325 1
1 345 . 12 1 1 A 30 30 ALA HA H 30 3.770 3.511 0.259 1
1 349 . 12 1 1 A 30 30 ALA CA C 30 56.000 55.038 0.962 1
1 350 . 12 1 1 A 30 30 ALA CB C 30 18.200 18.529 -0.329 1
1 351 . 12 1 1 A 30 30 ALA N N 30 123.300 122.851 0.449 1
1 352 . 12 1 1 A 31 31 GLU H H 31 8.940 8.288 0.652 1
1 353 . 12 1 1 A 31 31 GLU HA H 31 4.180 4.219 -0.039 1
1 358 . 12 1 1 A 31 31 GLU CA C 31 58.600 58.547 0.053 1
1 359 . 12 1 1 A 31 31 GLU CB C 31 28.700 29.455 -0.755 1
1 361 . 12 1 1 A 31 31 GLU N N 31 120.700 119.619 1.081 1
1 362 . 12 1 1 A 32 32 HIS H H 32 7.340 7.387 -0.047 1
1 363 . 12 1 1 A 32 32 HIS HA H 32 4.740 4.572 0.168 1
1 368 . 12 1 1 A 32 32 HIS CA C 32 54.800 55.576 -0.776 1
1 369 . 12 1 1 A 32 32 HIS CB C 32 28.200 29.997 -1.797 1
1 372 . 12 1 1 A 32 32 HIS N N 32 115.300 115.398 -0.098 1
1 373 . 12 1 1 A 33 33 GLU H H 33 7.830 7.742 0.088 1
1 374 . 12 1 1 A 33 33 GLU HA H 33 2.500 3.384 -0.884 1
1 379 . 12 1 1 A 33 33 GLU CA C 33 56.800 57.285 -0.485 1
1 380 . 12 1 1 A 33 33 GLU CB C 33 25.000 26.584 -1.584 1
1 382 . 12 1 1 A 33 33 GLU N N 33 112.200 115.080 -2.880 1
1 383 . 12 1 1 A 34 34 GLN H H 34 8.030 8.731 -0.701 1
1 384 . 12 1 1 A 34 34 GLN HA H 34 4.460 4.639 -0.179 1
1 391 . 12 1 1 A 34 34 GLN CA C 34 53.200 54.846 -1.646 1
1 392 . 12 1 1 A 34 34 GLN CB C 34 26.500 28.474 -1.974 1
1 394 . 12 1 1 A 34 34 GLN N N 34 121.000 118.450 2.550 1
1 396 . 12 1 1 A 35 35 PHE H H 35 7.050 7.772 -0.722 1
1 397 . 12 1 1 A 35 35 PHE HA H 35 4.180 4.356 -0.176 1
1 405 . 12 1 1 A 35 35 PHE CA C 35 60.700 60.754 -0.054 1
1 406 . 12 1 1 A 35 35 PHE CB C 35 38.200 38.455 -0.255 1
1 410 . 12 1 1 A 35 35 PHE N N 35 118.600 120.193 -1.593 1
1 411 . 12 1 1 A 36 36 ASP H H 36 8.410 8.399 0.011 1
1 412 . 12 1 1 A 36 36 ASP HA H 36 4.200 4.357 -0.157 1
1 415 . 12 1 1 A 36 36 ASP CA C 36 56.700 57.832 -1.132 1
1 416 . 12 1 1 A 36 36 ASP CB C 36 38.800 42.094 -3.294 1
1 417 . 12 1 1 A 36 36 ASP N N 36 117.000 119.769 -2.769 1
1 418 . 12 1 1 A 37 37 ALA H H 37 7.540 7.790 -0.250 1
1 419 . 12 1 1 A 37 37 ALA HA H 37 3.860 4.036 -0.176 1
1 423 . 12 1 1 A 37 37 ALA CA C 37 52.900 54.569 -1.669 1
1 424 . 12 1 1 A 37 37 ALA CB C 37 16.300 17.885 -1.585 1
1 425 . 12 1 1 A 37 37 ALA N N 37 120.900 120.759 0.141 1
1 426 . 12 1 1 A 38 38 ALA H H 38 7.700 7.680 0.020 1
1 427 . 12 1 1 A 38 38 ALA HA H 38 4.210 4.119 0.091 1
1 431 . 12 1 1 A 38 38 ALA CA C 38 55.100 55.108 -0.008 1
1 432 . 12 1 1 A 38 38 ALA CB C 38 20.500 18.340 2.160 1
1 433 . 12 1 1 A 38 38 ALA N N 38 117.600 120.132 -2.532 1
1 434 . 12 1 1 A 39 39 LEU H H 39 7.430 7.858 -0.428 1
1 435 . 12 1 1 A 39 39 LEU HA H 39 4.050 3.981 0.069 1
1 445 . 12 1 1 A 39 39 LEU CA C 39 60.500 60.072 0.428 1
1 446 . 12 1 1 A 39 39 LEU CB C 39 39.200 40.011 -0.811 1
1 450 . 12 1 1 A 39 39 LEU N N 39 114.900 118.467 -3.567 1
1 451 . 12 1 1 A 40 40 PRO HA H 40 4.180 4.265 -0.085 1
1 458 . 12 1 1 A 40 40 PRO CA C 40 65.100 65.836 -0.736 1
1 459 . 12 1 1 A 40 40 PRO CB C 40 30.600 30.693 -0.093 1
1 462 . 12 1 1 A 41 41 HIS H H 41 6.570 7.502 -0.932 1
1 463 . 12 1 1 A 41 41 HIS HA H 41 4.740 4.235 0.505 1
1 468 . 12 1 1 A 41 41 HIS CA C 41 58.800 59.443 -0.643 1
1 469 . 12 1 1 A 41 41 HIS CB C 41 30.800 30.102 0.698 1
1 472 . 12 1 1 A 41 41 HIS N N 41 116.500 116.080 0.420 1
1 473 . 12 1 1 A 42 42 LEU H H 42 8.140 8.593 -0.453 1
1 474 . 12 1 1 A 42 42 LEU HA H 42 4.120 3.928 0.192 1
1 484 . 12 1 1 A 42 42 LEU CA C 42 57.800 58.055 -0.255 1
1 485 . 12 1 1 A 42 42 LEU CB C 42 42.100 41.133 0.967 1
1 489 . 12 1 1 A 42 42 LEU N N 42 119.900 119.912 -0.012 1
1 490 . 12 1 1 A 43 43 ARG H H 43 8.300 8.287 0.013 1
1 491 . 12 1 1 A 43 43 ARG HA H 43 3.740 3.971 -0.231 1
1 498 . 12 1 1 A 43 43 ARG CA C 43 59.700 59.671 0.029 1
1 499 . 12 1 1 A 43 43 ARG CB C 43 28.300 29.838 -1.538 1
1 502 . 12 1 1 A 43 43 ARG N N 43 116.400 120.588 -4.188 1
1 503 . 12 1 1 A 44 44 ALA H H 44 7.850 7.828 0.022 1
1 504 . 12 1 1 A 44 44 ALA HA H 44 4.060 3.961 0.099 1
1 508 . 12 1 1 A 44 44 ALA CA C 44 54.600 54.741 -0.141 1
1 509 . 12 1 1 A 44 44 ALA CB C 44 17.000 18.161 -1.161 1
1 510 . 12 1 1 A 44 44 ALA N N 44 121.000 120.968 0.032 1
1 511 . 12 1 1 A 45 45 ALA H H 45 8.440 7.952 0.488 1
1 512 . 12 1 1 A 45 45 ALA HA H 45 4.270 4.281 -0.011 1
1 516 . 12 1 1 A 45 45 ALA CA C 45 56.200 55.136 1.064 1
1 517 . 12 1 1 A 45 45 ALA CB C 45 17.000 18.240 -1.240 1
1 518 . 12 1 1 A 45 45 ALA N N 45 121.200 120.610 0.590 1
1 519 . 12 1 1 A 46 46 LEU H H 46 7.310 8.269 -0.959 1
1 520 . 12 1 1 A 46 46 LEU HA H 46 4.010 4.101 -0.091 1
1 530 . 12 1 1 A 46 46 LEU CA C 46 55.900 57.879 -1.979 1
1 531 . 12 1 1 A 46 46 LEU CB C 46 42.200 41.438 0.762 1
1 535 . 12 1 1 A 46 46 LEU N N 46 116.800 118.400 -1.600 1
1 536 . 12 1 1 A 47 47 ASP H H 47 7.590 7.854 -0.264 1
1 537 . 12 1 1 A 47 47 ASP HA H 47 4.440 4.271 0.169 1
1 540 . 12 1 1 A 47 47 ASP CA C 47 55.500 56.999 -1.499 1
1 541 . 12 1 1 A 47 47 ASP CB C 47 39.200 40.295 -1.095 1
1 542 . 12 1 1 A 47 47 ASP N N 47 118.900 119.669 -0.769 1
1 543 . 12 1 1 A 48 48 PHE H H 48 7.490 7.437 0.053 1
1 544 . 12 1 1 A 48 48 PHE HA H 48 4.450 4.355 0.095 1
1 552 . 12 1 1 A 48 48 PHE CA C 48 61.200 59.802 1.398 1
1 553 . 12 1 1 A 48 48 PHE CB C 48 39.600 40.082 -0.482 1
1 557 . 12 1 1 A 48 48 PHE N N 48 117.200 116.421 0.779 1
1 558 . 12 1 1 A 49 49 ASP H H 49 7.790 8.105 -0.315 1
1 559 . 12 1 1 A 49 49 ASP HA H 49 4.980 5.053 -0.073 1
1 562 . 12 1 1 A 49 49 ASP CA C 49 51.000 51.572 -0.572 1
1 563 . 12 1 1 A 49 49 ASP CB C 49 41.800 41.464 0.336 1
1 564 . 12 1 1 A 49 49 ASP N N 49 113.500 117.587 -4.087 1
1 565 . 12 1 1 A 50 50 PRO HA H 50 4.780 4.663 0.117 1
1 572 . 12 1 1 A 50 50 PRO CA C 50 64.000 64.201 -0.201 1
1 573 . 12 1 1 A 50 50 PRO CB C 50 32.000 31.901 0.099 1
1 576 . 12 1 1 A 51 51 THR H H 51 8.640 8.126 0.514 1
1 577 . 12 1 1 A 51 51 THR HA H 51 4.620 5.091 -0.471 1
1 582 . 12 1 1 A 51 51 THR CA C 51 60.900 62.580 -1.680 1
1 583 . 12 1 1 A 51 51 THR CB C 51 68.600 69.377 -0.777 1
1 585 . 12 1 1 A 51 51 THR N N 51 111.900 111.547 0.353 1
1 586 . 12 1 1 A 52 52 TYR H H 52 7.350 7.373 -0.023 1
1 587 . 12 1 1 A 52 52 TYR HA H 52 4.820 4.486 0.334 1
1 594 . 12 1 1 A 52 52 TYR CA C 52 56.100 56.025 0.075 1
1 595 . 12 1 1 A 52 52 TYR CB C 52 35.900 37.870 -1.970 1
1 598 . 12 1 1 A 52 52 TYR N N 52 122.600 124.196 -1.596 1
1 599 . 12 1 1 A 53 53 SER H H 53 8.480 7.591 0.889 1
1 600 . 12 1 1 A 53 53 SER HA H 53 4.170 1.550 2.620 1
1 603 . 12 1 1 A 53 53 SER CA C 53 62.900 61.277 1.623 1
1 604 . 12 1 1 A 53 53 SER CB C 53 62.900 62.531 0.369 1
1 605 . 12 1 1 A 53 53 SER N N 53 127.100 122.263 4.837 1
1 606 . 12 1 1 A 54 54 VAL H H 54 7.860 7.184 0.676 1
1 607 . 12 1 1 A 54 54 VAL HA H 54 3.850 3.501 0.349 1
1 615 . 12 1 1 A 54 54 VAL CA C 54 65.500 66.280 -0.780 1
1 616 . 12 1 1 A 54 54 VAL CB C 54 31.200 31.218 -0.018 1
1 619 . 12 1 1 A 54 54 VAL N N 54 116.800 121.166 -4.366 1
1 620 . 12 1 1 A 55 55 ALA H H 55 7.120 7.890 -0.770 1
1 621 . 12 1 1 A 55 55 ALA HA H 55 4.490 4.405 0.085 1
1 625 . 12 1 1 A 55 55 ALA CA C 55 55.700 55.172 0.528 1
1 626 . 12 1 1 A 55 55 ALA CB C 55 16.700 18.445 -1.745 1
1 627 . 12 1 1 A 55 55 ALA N N 55 123.000 121.412 1.588 1
1 628 . 12 1 1 A 56 56 TRP H H 56 7.340 7.343 -0.003 1
1 629 . 12 1 1 A 56 56 TRP HA H 56 4.160 4.558 -0.398 1
1 638 . 12 1 1 A 56 56 TRP CA C 56 60.700 59.933 0.767 1
1 639 . 12 1 1 A 56 56 TRP CB C 56 30.100 28.984 1.116 1
1 645 . 12 1 1 A 56 56 TRP N N 56 119.300 118.272 1.028 1
1 647 . 12 1 1 A 57 57 LYS H H 57 8.330 8.281 0.049 1
1 648 . 12 1 1 A 57 57 LYS HA H 57 3.970 4.155 -0.185 1
1 657 . 12 1 1 A 57 57 LYS CA C 57 59.300 59.385 -0.085 1
1 658 . 12 1 1 A 57 57 LYS CB C 57 34.400 32.075 2.325 1
1 662 . 12 1 1 A 57 57 LYS N N 57 117.700 120.563 -2.863 1
1 663 . 12 1 1 A 58 58 TRP H H 58 8.170 8.014 0.156 1
1 664 . 12 1 1 A 58 58 TRP HA H 58 4.230 4.573 -0.343 1
1 673 . 12 1 1 A 58 58 TRP CA C 58 61.600 59.964 1.636 1
1 674 . 12 1 1 A 58 58 TRP CB C 58 29.000 29.803 -0.803 1
1 680 . 12 1 1 A 58 58 TRP N N 58 119.100 120.895 -1.795 1
1 682 . 12 1 1 A 59 59 LEU H H 59 9.500 8.802 0.698 1
1 683 . 12 1 1 A 59 59 LEU HA H 59 4.090 4.088 0.002 1
1 693 . 12 1 1 A 59 59 LEU CA C 59 58.500 58.132 0.368 1
1 694 . 12 1 1 A 59 59 LEU CB C 59 41.300 42.087 -0.787 1
1 698 . 12 1 1 A 59 59 LEU N N 59 127.300 121.379 5.921 1
1 699 . 12 1 1 A 60 60 GLY H H 60 8.480 8.095 0.385 1
1 700 . 12 1 1 A 60 60 GLY HA2 H 60 3.050 3.505 -0.455 1
1 701 . 12 1 1 A 60 60 GLY HA3 H 60 2.250 3.529 -1.279 1
1 702 . 12 1 1 A 60 60 GLY CA C 60 47.500 47.085 0.415 1
1 703 . 12 1 1 A 60 60 GLY N N 60 105.100 106.106 -1.006 1
1 704 . 12 1 1 A 61 61 LYS H H 61 7.680 8.107 -0.427 1
1 705 . 12 1 1 A 61 61 LYS HA H 61 3.890 4.312 -0.422 1
1 714 . 12 1 1 A 61 61 LYS CA C 61 59.300 58.568 0.732 1
1 715 . 12 1 1 A 61 61 LYS CB C 61 32.000 31.816 0.184 1
1 719 . 12 1 1 A 61 61 LYS N N 61 118.600 121.807 -3.207 1
1 720 . 12 1 1 A 62 62 THR H H 62 8.030 7.934 0.096 1
1 721 . 12 1 1 A 62 62 THR HA H 62 3.780 3.913 -0.133 1
1 726 . 12 1 1 A 62 62 THR CA C 62 67.400 66.630 0.770 1
1 727 . 12 1 1 A 62 62 THR CB C 62 66.300 68.003 -1.703 1
1 729 . 12 1 1 A 62 62 THR N N 62 120.100 116.312 3.788 1
1 730 . 12 1 1 A 63 63 LEU H H 63 8.090 8.172 -0.082 1
1 731 . 12 1 1 A 63 63 LEU HA H 63 4.080 3.767 0.313 1
1 741 . 12 1 1 A 63 63 LEU CA C 63 57.800 57.643 0.157 1
1 742 . 12 1 1 A 63 63 LEU CB C 63 40.800 41.003 -0.203 1
1 746 . 12 1 1 A 63 63 LEU N N 63 121.400 121.201 0.199 1
1 747 . 12 1 1 A 64 64 GLN H H 64 8.300 8.143 0.157 1
1 748 . 12 1 1 A 64 64 GLN HA H 64 3.400 3.839 -0.439 1
1 755 . 12 1 1 A 64 64 GLN CA C 64 59.300 59.483 -0.183 1
1 756 . 12 1 1 A 64 64 GLN CB C 64 28.100 27.986 0.114 1
1 758 . 12 1 1 A 64 64 GLN N N 64 119.500 118.305 1.195 1
1 760 . 12 1 1 A 65 65 GLY H H 65 7.720 7.978 -0.258 1
1 761 . 12 1 1 A 65 65 GLY HA2 H 65 2.300 3.067 -0.767 1
1 762 . 12 1 1 A 65 65 GLY HA3 H 65 3.430 3.587 -0.157 1
1 763 . 12 1 1 A 65 65 GLY CA C 65 46.000 46.468 -0.468 1
1 764 . 12 1 1 A 65 65 GLY N N 65 110.300 106.852 3.448 1
1 765 . 12 1 1 A 66 66 GLN H H 66 7.250 7.281 -0.031 1
1 766 . 12 1 1 A 66 66 GLN HA H 66 4.270 4.124 0.146 1
1 773 . 12 1 1 A 66 66 GLN CA C 66 55.900 56.831 -0.931 1
1 774 . 12 1 1 A 66 66 GLN CB C 66 30.000 29.525 0.475 1
1 776 . 12 1 1 A 66 66 GLN N N 66 117.500 119.730 -2.230 1
1 778 . 12 1 1 A 67 67 GLY H H 67 7.800 7.910 -0.110 1
1 779 . 12 1 1 A 67 67 GLY HA2 H 67 4.230 3.994 0.236 1
1 780 . 12 1 1 A 67 67 GLY HA3 H 67 3.660 3.994 -0.334 1
1 781 . 12 1 1 A 67 67 GLY CA C 67 44.800 44.954 -0.154 1
1 782 . 12 1 1 A 67 67 GLY N N 67 107.400 107.618 -0.218 1
1 783 . 12 1 1 A 68 68 ASP H H 68 8.100 7.952 0.148 1
1 784 . 12 1 1 A 68 68 ASP HA H 68 4.780 4.645 0.135 1
1 787 . 12 1 1 A 68 68 ASP CA C 68 51.100 52.579 -1.479 1
1 788 . 12 1 1 A 68 68 ASP CB C 68 38.800 39.759 -0.959 1
1 789 . 12 1 1 A 68 68 ASP N N 68 121.600 120.999 0.601 1
1 790 . 12 1 1 A 69 69 ARG H H 69 7.770 8.640 -0.870 1
1 791 . 12 1 1 A 69 69 ARG HA H 69 3.650 3.972 -0.322 1
1 798 . 12 1 1 A 69 69 ARG CA C 69 59.800 58.836 0.964 1
1 799 . 12 1 1 A 69 69 ARG CB C 69 28.700 29.866 -1.166 1
1 802 . 12 1 1 A 69 69 ARG N N 69 123.700 125.789 -2.089 1
1 803 . 12 1 1 A 70 70 ALA H H 70 8.490 7.653 0.837 1
1 804 . 12 1 1 A 70 70 ALA HA H 70 4.040 3.994 0.046 1
1 808 . 12 1 1 A 70 70 ALA CA C 70 54.700 54.755 -0.055 1
1 809 . 12 1 1 A 70 70 ALA CB C 70 17.800 19.156 -1.356 1
1 810 . 12 1 1 A 70 70 ALA N N 70 122.400 122.218 0.182 1
1 811 . 12 1 1 A 71 71 GLY H H 71 8.540 8.658 -0.118 1
1 812 . 12 1 1 A 71 71 GLY HA2 H 71 3.570 3.701 -0.131 1
1 813 . 12 1 1 A 71 71 GLY HA3 H 71 3.710 3.721 -0.011 1
1 814 . 12 1 1 A 71 71 GLY CA C 71 47.100 46.924 0.176 1
1 815 . 12 1 1 A 71 71 GLY N N 71 109.100 107.630 1.470 1
1 816 . 12 1 1 A 72 72 ALA H H 72 8.060 7.662 0.398 1
1 817 . 12 1 1 A 72 72 ALA HA H 72 3.310 3.298 0.012 1
1 821 . 12 1 1 A 72 72 ALA CA C 72 55.200 54.491 0.709 1
1 822 . 12 1 1 A 72 72 ALA CB C 72 17.200 18.259 -1.059 1
1 823 . 12 1 1 A 72 72 ALA N N 72 126.600 124.653 1.947 1
1 824 . 12 1 1 A 73 73 ARG H H 73 7.840 7.775 0.065 1
1 825 . 12 1 1 A 73 73 ARG HA H 73 3.760 4.116 -0.356 1
1 832 . 12 1 1 A 73 73 ARG CA C 73 59.700 59.804 -0.104 1
1 833 . 12 1 1 A 73 73 ARG CB C 73 29.800 29.973 -0.173 1
1 836 . 12 1 1 A 73 73 ARG N N 73 116.300 118.352 -2.052 1
1 837 . 12 1 1 A 74 74 GLN H H 74 7.690 8.204 -0.514 1
1 838 . 12 1 1 A 74 74 GLN HA H 74 3.970 4.033 -0.063 1
1 845 . 12 1 1 A 74 74 GLN CA C 74 58.800 58.616 0.184 1
1 846 . 12 1 1 A 74 74 GLN CB C 74 28.400 28.288 0.112 1
1 848 . 12 1 1 A 74 74 GLN N N 74 116.500 117.342 -0.842 1
1 850 . 12 1 1 A 75 75 ALA H H 75 8.160 7.819 0.341 1
1 851 . 12 1 1 A 75 75 ALA HA H 75 4.350 4.060 0.290 1
1 855 . 12 1 1 A 75 75 ALA CA C 75 54.400 55.019 -0.619 1
1 856 . 12 1 1 A 75 75 ALA CB C 75 17.600 18.097 -0.497 1
1 857 . 12 1 1 A 75 75 ALA N N 75 121.900 121.886 0.014 1
1 858 . 12 1 1 A 76 76 TRP H H 76 8.640 8.395 0.245 1
1 859 . 12 1 1 A 76 76 TRP HA H 76 4.640 4.468 0.172 1
1 868 . 12 1 1 A 76 76 TRP CA C 76 58.200 60.186 -1.986 1
1 869 . 12 1 1 A 76 76 TRP CB C 76 27.600 29.609 -2.009 1
1 875 . 12 1 1 A 76 76 TRP N N 76 118.400 119.047 -0.647 1
1 877 . 12 1 1 A 77 77 GLU H H 77 9.050 8.476 0.574 1
1 878 . 12 1 1 A 77 77 GLU HA H 77 4.010 3.980 0.030 1
1 883 . 12 1 1 A 77 77 GLU CA C 77 58.900 59.862 -0.962 1
1 884 . 12 1 1 A 77 77 GLU CB C 77 28.100 29.397 -1.297 1
1 886 . 12 1 1 A 77 77 GLU N N 77 121.000 119.860 1.140 1
1 887 . 12 1 1 A 78 78 SER H H 78 8.280 7.577 0.703 1
1 888 . 12 1 1 A 78 78 SER HA H 78 3.800 4.188 -0.388 1
1 891 . 12 1 1 A 78 78 SER CA C 78 62.400 60.941 1.459 1
1 892 . 12 1 1 A 78 78 SER CB C 78 68.000 62.690 5.310 1
1 893 . 12 1 1 A 78 78 SER N N 78 120.000 115.925 4.075 1
1 894 . 12 1 1 A 79 79 GLY H H 79 8.580 8.576 0.004 1
1 895 . 12 1 1 A 79 79 GLY HA2 H 79 3.470 3.586 -0.116 1
1 896 . 12 1 1 A 79 79 GLY HA3 H 79 3.580 3.852 -0.272 1
1 897 . 12 1 1 A 79 79 GLY CA C 79 47.000 47.112 -0.112 1
1 898 . 12 1 1 A 79 79 GLY N N 79 111.000 108.344 2.656 1
1 899 . 12 1 1 A 80 80 LEU H H 80 8.640 8.623 0.017 1
1 900 . 12 1 1 A 80 80 LEU HA H 80 3.830 4.096 -0.266 1
1 910 . 12 1 1 A 80 80 LEU CA C 80 58.200 57.724 0.476 1
1 911 . 12 1 1 A 80 80 LEU CB C 80 41.800 41.543 0.257 1
1 915 . 12 1 1 A 80 80 LEU N N 80 125.600 123.154 2.446 1
1 916 . 12 1 1 A 81 81 ALA H H 81 7.400 7.814 -0.414 1
1 917 . 12 1 1 A 81 81 ALA HA H 81 4.140 3.934 0.206 1
1 921 . 12 1 1 A 81 81 ALA CA C 81 54.600 55.267 -0.667 1
1 922 . 12 1 1 A 81 81 ALA CB C 81 17.500 17.960 -0.460 1
1 923 . 12 1 1 A 81 81 ALA N N 81 120.400 120.549 -0.149 1
1 924 . 12 1 1 A 82 82 ALA H H 82 7.640 7.580 0.060 1
1 925 . 12 1 1 A 82 82 ALA HA H 82 4.160 3.862 0.298 1
1 929 . 12 1 1 A 82 82 ALA CA C 82 54.700 54.511 0.189 1
1 930 . 12 1 1 A 82 82 ALA CB C 82 17.200 17.952 -0.752 1
1 931 . 12 1 1 A 82 82 ALA N N 82 120.900 120.374 0.526 1
1 932 . 12 1 1 A 83 83 ALA H H 83 8.910 8.259 0.651 1
1 933 . 12 1 1 A 83 83 ALA HA H 83 4.260 4.511 -0.251 1
1 937 . 12 1 1 A 83 83 ALA CA C 83 54.900 55.580 -0.680 1
1 938 . 12 1 1 A 83 83 ALA CB C 83 18.600 18.062 0.538 1
1 939 . 12 1 1 A 83 83 ALA N N 83 122.000 119.514 2.486 1
1 940 . 12 1 1 A 84 84 GLN H H 84 8.770 8.546 0.224 1
1 941 . 12 1 1 A 84 84 GLN HA H 84 3.940 4.079 -0.139 1
1 948 . 12 1 1 A 84 84 GLN CA C 84 58.800 59.185 -0.385 1
1 949 . 12 1 1 A 84 84 GLN CB C 84 28.200 28.357 -0.157 1
1 951 . 12 1 1 A 84 84 GLN N N 84 118.400 118.733 -0.333 1
1 953 . 12 1 1 A 85 85 SER H H 85 7.920 8.270 -0.350 1
1 954 . 12 1 1 A 85 85 SER HA H 85 4.250 4.184 0.066 1
1 957 . 12 1 1 A 85 85 SER CA C 85 61.200 61.369 -0.169 1
1 958 . 12 1 1 A 85 85 SER CB C 85 62.700 63.005 -0.305 1
1 959 . 12 1 1 A 85 85 SER N N 85 115.200 115.235 -0.035 1
1 960 . 12 1 1 A 86 86 ARG H H 86 7.590 7.808 -0.218 1
1 961 . 12 1 1 A 86 86 ARG HA H 86 4.380 4.460 -0.080 1
1 968 . 12 1 1 A 86 86 ARG CA C 86 55.800 55.922 -0.122 1
1 969 . 12 1 1 A 86 86 ARG CB C 86 31.200 31.067 0.133 1
1 972 . 12 1 1 A 86 86 ARG N N 86 117.800 117.375 0.425 1
1 973 . 12 1 1 A 87 87 GLY H H 87 7.790 8.037 -0.247 1
1 974 . 12 1 1 A 87 87 GLY HA2 H 87 3.870 3.947 -0.077 1
1 975 . 12 1 1 A 87 87 GLY HA3 H 87 4.080 3.949 0.131 1
1 976 . 12 1 1 A 87 87 GLY CA C 87 46.100 45.744 0.356 1
1 977 . 12 1 1 A 87 87 GLY N N 87 109.100 108.275 0.825 1
1 978 . 12 1 1 A 88 88 ASP H H 88 8.210 8.246 -0.036 1
1 979 . 12 1 1 A 88 88 ASP HA H 88 4.830 4.896 -0.066 1
1 982 . 12 1 1 A 88 88 ASP CA C 88 52.100 52.917 -0.817 1
1 983 . 12 1 1 A 88 88 ASP CB C 88 39.000 38.749 0.251 1
1 984 . 12 1 1 A 88 88 ASP N N 88 120.200 120.832 -0.632 1
1 985 . 12 1 1 A 89 89 GLN H H 89 8.110 8.175 -0.065 1
1 986 . 12 1 1 A 89 89 GLN HA H 89 3.840 4.034 -0.194 1
1 993 . 12 1 1 A 89 89 GLN CA C 89 58.500 59.053 -0.553 1
1 994 . 12 1 1 A 89 89 GLN CB C 89 28.000 28.451 -0.451 1
1 996 . 12 1 1 A 89 89 GLN N N 89 122.400 121.833 0.567 1
1 998 . 12 1 1 A 90 90 GLN H H 90 8.720 7.919 0.801 1
1 999 . 12 1 1 A 90 90 GLN HA H 90 4.000 4.071 -0.071 1
1 1006 . 12 1 1 A 90 90 GLN CA C 90 58.800 58.693 0.107 1
1 1007 . 12 1 1 A 90 90 GLN CB C 90 27.800 28.288 -0.488 1
1 1009 . 12 1 1 A 90 90 GLN N N 90 119.100 120.018 -0.918 1
1 1011 . 12 1 1 A 91 91 VAL H H 91 7.170 8.019 -0.849 1
1 1012 . 12 1 1 A 91 91 VAL HA H 91 3.660 3.632 0.028 1
1 1020 . 12 1 1 A 91 91 VAL CA C 91 65.500 66.292 -0.792 1
1 1021 . 12 1 1 A 91 91 VAL CB C 91 31.300 31.555 -0.255 1
1 1024 . 12 1 1 A 91 91 VAL N N 91 119.900 119.461 0.439 1
1 1025 . 12 1 1 A 92 92 VAL H H 92 7.880 7.798 0.082 1
1 1026 . 12 1 1 A 92 92 VAL HA H 92 3.240 3.516 -0.276 1
1 1034 . 12 1 1 A 92 92 VAL CA C 92 67.300 67.024 0.276 1
1 1035 . 12 1 1 A 92 92 VAL CB C 92 31.500 31.636 -0.136 1
1 1038 . 12 1 1 A 92 92 VAL N N 92 119.900 120.422 -0.522 1
1 1039 . 12 1 1 A 93 93 LYS H H 93 7.480 7.999 -0.519 1
1 1040 . 12 1 1 A 93 93 LYS HA H 93 3.920 3.960 -0.040 1
1 1049 . 12 1 1 A 93 93 LYS CA C 93 59.300 59.619 -0.319 1
1 1050 . 12 1 1 A 93 93 LYS CB C 93 31.900 31.943 -0.043 1
1 1054 . 12 1 1 A 93 93 LYS N N 93 116.000 118.478 -2.478 1
1 1055 . 12 1 1 A 94 94 GLU H H 94 7.480 7.972 -0.492 1
1 1056 . 12 1 1 A 94 94 GLU HA H 94 3.580 4.038 -0.458 1
1 1061 . 12 1 1 A 94 94 GLU CA C 94 58.600 58.832 -0.232 1
1 1062 . 12 1 1 A 94 94 GLU CB C 94 29.500 29.669 -0.169 1
1 1064 . 12 1 1 A 94 94 GLU N N 94 117.500 120.470 -2.970 1
1 1065 . 12 1 1 A 95 95 LEU H H 95 8.370 8.580 -0.210 1
1 1066 . 12 1 1 A 95 95 LEU HA H 95 3.530 4.074 -0.544 1
1 1076 . 12 1 1 A 95 95 LEU CA C 95 57.600 57.886 -0.286 1
1 1077 . 12 1 1 A 95 95 LEU CB C 95 40.900 41.187 -0.287 1
1 1081 . 12 1 1 A 95 95 LEU N N 95 117.500 120.235 -2.735 1
1 1082 . 12 1 1 A 96 96 GLN H H 96 8.330 8.150 0.180 1
1 1083 . 12 1 1 A 96 96 GLN HA H 96 3.980 3.945 0.035 1
1 1090 . 12 1 1 A 96 96 GLN CA C 96 58.900 58.521 0.379 1
1 1091 . 12 1 1 A 96 96 GLN CB C 96 28.100 28.341 -0.241 1
1 1093 . 12 1 1 A 96 96 GLN N N 96 117.600 118.288 -0.688 1
1 1095 . 12 1 1 A 97 97 VAL H H 97 7.450 7.365 0.085 1
1 1096 . 12 1 1 A 97 97 VAL HA H 97 3.450 3.469 -0.019 1
1 1104 . 12 1 1 A 97 97 VAL CA C 97 66.700 66.266 0.434 1
1 1105 . 12 1 1 A 97 97 VAL CB C 97 31.000 31.226 -0.226 1
1 1108 . 12 1 1 A 97 97 VAL N N 97 120.300 119.819 0.481 1
1 1109 . 12 1 1 A 98 98 PHE H H 98 7.460 7.194 0.266 1
1 1110 . 12 1 1 A 98 98 PHE HA H 98 3.980 4.100 -0.120 1
1 1118 . 12 1 1 A 98 98 PHE CA C 98 58.700 61.196 -2.496 1
1 1119 . 12 1 1 A 98 98 PHE CB C 98 35.500 38.083 -2.583 1
1 1123 . 12 1 1 A 98 98 PHE N N 98 119.100 118.023 1.077 1
1 1124 . 12 1 1 A 99 99 LEU H H 99 8.330 8.272 0.058 1
1 1125 . 12 1 1 A 99 99 LEU HA H 99 4.090 3.992 0.098 1
1 1135 . 12 1 1 A 99 99 LEU CA C 99 57.800 57.820 -0.020 1
1 1136 . 12 1 1 A 99 99 LEU CB C 99 41.800 41.365 0.435 1
1 1140 . 12 1 1 A 99 99 LEU N N 99 119.300 119.612 -0.312 1
1 1141 . 12 1 1 A 100 100 ARG H H 100 8.350 7.800 0.550 1
1 1142 . 12 1 1 A 100 100 ARG HA H 100 4.110 4.039 0.071 1
1 1149 . 12 1 1 A 100 100 ARG CA C 100 59.300 59.520 -0.220 1
1 1150 . 12 1 1 A 100 100 ARG CB C 100 29.900 29.968 -0.068 1
1 1153 . 12 1 1 A 100 100 ARG N N 100 121.900 119.751 2.149 1
1 1154 . 12 1 1 A 101 101 ARG H H 101 8.110 7.413 0.697 1
1 1155 . 12 1 1 A 101 101 ARG HA H 101 4.020 4.207 -0.187 1
1 1162 . 12 1 1 A 101 101 ARG CA C 101 57.600 58.547 -0.947 1
1 1163 . 12 1 1 A 101 101 ARG CB C 101 30.200 29.837 0.363 1
1 1166 . 12 1 1 A 101 101 ARG N N 101 120.500 119.879 0.621 1
1 1167 . 12 1 1 A 102 102 LEU H H 102 7.890 8.462 -0.572 1
1 1168 . 12 1 1 A 102 102 LEU HA H 102 4.150 4.205 -0.055 1
1 1178 . 12 1 1 A 102 102 LEU CA C 102 57.600 57.730 -0.130 1
1 1179 . 12 1 1 A 102 102 LEU CB C 102 42.300 41.607 0.693 1
1 1183 . 12 1 1 A 102 102 LEU N N 102 119.900 121.133 -1.233 1
1 1184 . 12 1 1 A 103 103 ALA H H 103 7.880 8.471 -0.591 1
1 1185 . 12 1 1 A 103 103 ALA HA H 103 4.170 3.974 0.196 1
1 1189 . 12 1 1 A 103 103 ALA CA C 103 54.700 55.120 -0.420 1
1 1190 . 12 1 1 A 103 103 ALA CB C 103 17.800 18.425 -0.625 1
1 1191 . 12 1 1 A 103 103 ALA N N 103 120.000 120.816 -0.816 1
1 1192 . 12 1 1 A 104 104 ARG H H 104 8.060 8.204 -0.144 1
1 1193 . 12 1 1 A 104 104 ARG HA H 104 4.130 4.106 0.024 1
1 1200 . 12 1 1 A 104 104 ARG CA C 104 58.500 59.978 -1.478 1
1 1201 . 12 1 1 A 104 104 ARG CB C 104 29.800 30.131 -0.331 1
1 1204 . 12 1 1 A 104 104 ARG N N 104 119.800 117.631 2.169 1
1 1205 . 12 1 1 A 105 105 GLU H H 105 8.050 7.981 0.069 1
1 1206 . 12 1 1 A 105 105 GLU HA H 105 4.020 4.104 -0.084 1
1 1211 . 12 1 1 A 105 105 GLU CA C 105 58.500 59.159 -0.659 1
1 1212 . 12 1 1 A 105 105 GLU CB C 105 28.900 29.307 -0.407 1
1 1214 . 12 1 1 A 105 105 GLU N N 105 119.700 119.858 -0.158 1
1 1215 . 12 1 1 A 106 106 ASP H H 106 8.360 7.654 0.706 1
1 1216 . 12 1 1 A 106 106 ASP HA H 106 4.380 4.378 0.002 1
1 1219 . 12 1 1 A 106 106 ASP CA C 106 56.500 57.347 -0.847 1
1 1220 . 12 1 1 A 106 106 ASP CB C 106 40.500 40.968 -0.468 1
1 1221 . 12 1 1 A 106 106 ASP N N 106 119.800 119.849 -0.049 1
1 1222 . 12 1 1 A 107 107 ALA H H 107 7.910 8.677 -0.767 1
1 1223 . 12 1 1 A 107 107 ALA HA H 107 4.150 4.203 -0.053 1
1 1227 . 12 1 1 A 107 107 ALA CA C 107 54.200 55.197 -0.997 1
1 1228 . 12 1 1 A 107 107 ALA CB C 107 18.100 18.559 -0.459 1
1 1229 . 12 1 1 A 107 107 ALA N N 107 121.900 121.926 -0.026 1
1 1230 . 12 1 1 A 108 108 LEU H H 108 7.840 7.856 -0.016 1
1 1231 . 12 1 1 A 108 108 LEU HA H 108 4.120 4.317 -0.197 1
1 1241 . 12 1 1 A 108 108 LEU CA C 108 56.400 55.911 0.489 1
1 1242 . 12 1 1 A 108 108 LEU CB C 108 42.000 42.396 -0.396 1
1 1246 . 12 1 1 A 108 108 LEU N N 108 119.000 116.709 2.291 1
1 1247 . 12 1 1 A 109 109 GLU H H 109 7.860 8.029 -0.169 1
1 1248 . 12 1 1 A 109 109 GLU HA H 109 4.090 4.064 0.026 1
1 1253 . 12 1 1 A 109 109 GLU CA C 109 57.000 57.888 -0.888 1
1 1254 . 12 1 1 A 109 109 GLU CB C 109 29.100 27.905 1.195 1
1 1256 . 12 1 1 A 109 109 GLU N N 109 118.600 116.299 2.301 1
1 1257 . 12 1 1 A 110 110 HIS H H 110 8.140 8.448 -0.308 1
1 1258 . 12 1 1 A 110 110 HIS HA H 110 4.560 4.215 0.345 1
1 1261 . 12 1 1 A 110 110 HIS CA C 110 55.600 57.141 -1.541 1
1 1262 . 12 1 1 A 110 110 HIS CB C 110 28.300 28.568 -0.268 1
1 1263 . 12 1 1 A 110 110 HIS N N 110 117.000 115.122 1.878 1
1 1264 . 12 1 1 A 111 111 HIS H H 111 8.340 8.637 -0.297 1
1 1265 . 12 1 1 A 111 111 HIS HA H 111 4.600 4.096 0.504 1
1 1268 . 12 1 1 A 111 111 HIS CA C 111 55.500 56.927 -1.427 1
1 1269 . 12 1 1 A 111 111 HIS CB C 111 28.500 28.897 -0.397 1
1 1270 . 12 1 1 A 111 111 HIS N N 111 117.800 115.710 2.090 1
1 1271 . 12 1 1 A 112 112 HIS H H 112 8.530 7.712 0.818 1
1 1272 . 12 1 1 A 112 112 HIS HA H 112 4.620 4.678 -0.058 1
1 1275 . 12 1 1 A 112 112 HIS CA C 112 55.300 53.841 1.459 1
1 1276 . 12 1 1 A 112 112 HIS CB C 112 28.800 30.040 -1.240 1
1 1277 . 12 1 1 A 112 112 HIS N N 112 119.000 117.800 1.200 1
1 1278 . 12 1 1 A 113 113 HIS H H 113 8.660 8.670 -0.010 1
1 1279 . 12 1 1 A 113 113 HIS HA H 113 4.640 4.582 0.058 1
1 1282 . 12 1 1 A 113 113 HIS CA C 113 55.200 56.553 -1.353 1
1 1283 . 12 1 1 A 113 113 HIS CB C 113 28.900 30.681 -1.781 1
1 1284 . 12 1 1 A 113 113 HIS N N 113 120.000 124.167 -4.167 1
1 1285 . 12 1 1 A 114 114 HIS H H 114 8.630 8.612 0.018 1
1 1286 . 12 1 1 A 114 114 HIS HA H 114 4.610 4.913 -0.303 1
1 1289 . 12 1 1 A 114 114 HIS CA C 114 55.200 53.309 1.891 1
1 1290 . 12 1 1 A 114 114 HIS CB C 114 28.900 30.836 -1.936 1
1 1291 . 12 1 1 A 114 114 HIS N N 114 120.800 120.944 -0.144 1
1 9 . 13 1 1 A 2 2 GLN H H 2 8.840 9.030 -0.190 1
1 10 . 13 1 1 A 2 2 GLN HA H 2 4.310 4.669 -0.359 1
1 17 . 13 1 1 A 2 2 GLN CA C 2 55.600 55.360 0.240 1
1 18 . 13 1 1 A 2 2 GLN CB C 2 29.900 31.541 -1.641 1
1 20 . 13 1 1 A 2 2 GLN N N 2 124.000 122.098 1.902 1
1 22 . 13 1 1 A 3 3 ALA H H 3 8.780 8.693 0.087 1
1 23 . 13 1 1 A 3 3 ALA HA H 3 4.240 4.091 0.149 1
1 27 . 13 1 1 A 3 3 ALA CA C 3 52.600 54.006 -1.406 1
1 28 . 13 1 1 A 3 3 ALA CB C 3 18.800 18.071 0.729 1
1 29 . 13 1 1 A 3 3 ALA N N 3 127.500 128.745 -1.245 1
1 30 . 13 1 1 A 4 4 ILE H H 4 8.490 8.620 -0.130 1
1 31 . 13 1 1 A 4 4 ILE HA H 4 3.820 3.817 0.003 1
1 41 . 13 1 1 A 4 4 ILE CA C 4 63.700 63.601 0.099 1
1 42 . 13 1 1 A 4 4 ILE CB C 4 37.800 37.359 0.441 1
1 46 . 13 1 1 A 4 4 ILE N N 4 120.900 121.604 -0.704 1
1 47 . 13 1 1 A 5 5 THR H H 5 7.730 7.769 -0.039 1
1 48 . 13 1 1 A 5 5 THR HA H 5 3.540 3.578 -0.038 1
1 53 . 13 1 1 A 5 5 THR CA C 5 64.700 66.790 -2.090 1
1 54 . 13 1 1 A 5 5 THR CB C 5 66.700 68.188 -1.488 1
1 56 . 13 1 1 A 5 5 THR N N 5 110.700 117.391 -6.691 1
1 57 . 13 1 1 A 6 6 GLU H H 6 7.220 8.135 -0.915 1
1 58 . 13 1 1 A 6 6 GLU HA H 6 3.940 3.944 -0.004 1
1 63 . 13 1 1 A 6 6 GLU CA C 6 59.200 59.363 -0.163 1
1 64 . 13 1 1 A 6 6 GLU CB C 6 28.900 29.312 -0.412 1
1 66 . 13 1 1 A 6 6 GLU N N 6 120.400 118.585 1.815 1
1 67 . 13 1 1 A 7 7 ARG H H 7 7.930 8.000 -0.070 1
1 68 . 13 1 1 A 7 7 ARG HA H 7 3.950 4.061 -0.111 1
1 75 . 13 1 1 A 7 7 ARG CA C 7 59.100 58.835 0.265 1
1 76 . 13 1 1 A 7 7 ARG CB C 7 30.100 29.616 0.484 1
1 79 . 13 1 1 A 7 7 ARG N N 7 119.900 119.033 0.867 1
1 80 . 13 1 1 A 8 8 LEU H H 8 8.130 7.965 0.165 1
1 81 . 13 1 1 A 8 8 LEU HA H 8 4.150 3.865 0.285 1
1 91 . 13 1 1 A 8 8 LEU CA C 8 57.800 57.845 -0.045 1
1 92 . 13 1 1 A 8 8 LEU CB C 8 41.000 41.243 -0.243 1
1 96 . 13 1 1 A 8 8 LEU N N 8 119.600 121.463 -1.863 1
1 97 . 13 1 1 A 9 9 GLU H H 9 8.530 7.843 0.687 1
1 98 . 13 1 1 A 9 9 GLU HA H 9 4.150 3.995 0.155 1
1 103 . 13 1 1 A 9 9 GLU CA C 9 59.100 59.545 -0.445 1
1 104 . 13 1 1 A 9 9 GLU CB C 9 28.300 29.063 -0.763 1
1 106 . 13 1 1 A 9 9 GLU N N 9 118.200 117.994 0.206 1
1 107 . 13 1 1 A 10 10 ALA H H 10 7.800 7.913 -0.113 1
1 108 . 13 1 1 A 10 10 ALA HA H 10 4.230 4.068 0.162 1
1 112 . 13 1 1 A 10 10 ALA CA C 10 55.000 54.934 0.066 1
1 113 . 13 1 1 A 10 10 ALA CB C 10 17.200 18.158 -0.958 1
1 114 . 13 1 1 A 10 10 ALA N N 10 122.900 122.181 0.719 1
1 115 . 13 1 1 A 11 11 MET H H 11 7.700 7.890 -0.190 1
1 116 . 13 1 1 A 11 11 MET HA H 11 4.040 4.940 -0.900 1
1 124 . 13 1 1 A 11 11 MET CA C 11 58.900 58.066 0.834 1
1 125 . 13 1 1 A 11 11 MET CB C 11 31.800 31.687 0.113 1
1 128 . 13 1 1 A 11 11 MET N N 11 118.800 116.893 1.907 1
1 129 . 13 1 1 A 12 12 LEU H H 12 8.070 8.017 0.053 1
1 130 . 13 1 1 A 12 12 LEU HA H 12 4.870 4.323 0.547 1
1 140 . 13 1 1 A 12 12 LEU CA C 12 56.900 57.414 -0.514 1
1 141 . 13 1 1 A 12 12 LEU CB C 12 41.900 40.859 1.041 1
1 145 . 13 1 1 A 12 12 LEU N N 12 122.500 121.020 1.480 1
1 146 . 13 1 1 A 13 13 ALA H H 13 8.150 7.815 0.335 1
1 147 . 13 1 1 A 13 13 ALA HA H 13 4.130 4.108 0.022 1
1 151 . 13 1 1 A 13 13 ALA CA C 13 54.100 54.358 -0.258 1
1 152 . 13 1 1 A 13 13 ALA CB C 13 17.700 18.343 -0.643 1
1 153 . 13 1 1 A 13 13 ALA N N 13 122.300 121.890 0.410 1
1 154 . 13 1 1 A 14 14 GLN H H 14 7.560 7.474 0.086 1
1 155 . 13 1 1 A 14 14 GLN HA H 14 4.340 4.364 -0.024 1
1 162 . 13 1 1 A 14 14 GLN CA C 14 55.500 55.850 -0.350 1
1 163 . 13 1 1 A 14 14 GLN CB C 14 28.700 29.029 -0.329 1
1 165 . 13 1 1 A 14 14 GLN N N 14 115.100 115.899 -0.799 1
1 167 . 13 1 1 A 15 15 GLY H H 15 7.870 8.734 -0.864 1
1 168 . 13 1 1 A 15 15 GLY HA2 H 15 3.720 3.924 -0.204 1
1 169 . 13 1 1 A 15 15 GLY HA3 H 15 4.430 3.925 0.505 1
1 170 . 13 1 1 A 15 15 GLY CA C 15 45.100 45.833 -0.733 1
1 171 . 13 1 1 A 15 15 GLY N N 15 106.800 107.530 -0.730 1
1 172 . 13 1 1 A 16 16 THR H H 16 7.980 7.631 0.349 1
1 173 . 13 1 1 A 16 16 THR HA H 16 4.190 4.714 -0.524 1
1 178 . 13 1 1 A 16 16 THR CA C 16 62.600 61.563 1.037 1
1 179 . 13 1 1 A 16 16 THR CB C 16 68.800 70.961 -2.161 1
1 181 . 13 1 1 A 16 16 THR N N 16 120.800 114.502 6.298 1
1 182 . 13 1 1 A 17 17 ASP H H 17 8.110 8.934 -0.824 1
1 183 . 13 1 1 A 17 17 ASP HA H 17 4.830 5.121 -0.291 1
1 186 . 13 1 1 A 17 17 ASP CA C 17 53.300 52.877 0.423 1
1 187 . 13 1 1 A 17 17 ASP CB C 17 42.700 41.025 1.675 1
1 188 . 13 1 1 A 17 17 ASP N N 17 122.800 127.520 -4.720 1
1 189 . 13 1 1 A 18 18 ASN HA H 18 3.460 4.956 -1.496 1
1 194 . 13 1 1 A 18 18 ASN CA C 18 52.200 52.494 -0.294 1
1 195 . 13 1 1 A 18 18 ASN CB C 18 39.600 40.980 -1.380 1
1 197 . 13 1 1 A 19 19 MET H H 19 8.260 8.980 -0.720 1
1 198 . 13 1 1 A 19 19 MET HA H 19 3.650 4.088 -0.438 1
1 206 . 13 1 1 A 19 19 MET CA C 19 61.100 57.798 3.302 1
1 207 . 13 1 1 A 19 19 MET CB C 19 32.900 32.246 0.654 1
1 210 . 13 1 1 A 19 19 MET N N 19 119.100 125.074 -5.974 1
1 211 . 13 1 1 A 20 20 LEU H H 20 8.350 8.347 0.003 1
1 212 . 13 1 1 A 20 20 LEU HA H 20 4.220 4.195 0.025 1
1 222 . 13 1 1 A 20 20 LEU CA C 20 57.500 57.830 -0.330 1
1 223 . 13 1 1 A 20 20 LEU CB C 20 41.200 41.784 -0.584 1
1 227 . 13 1 1 A 20 20 LEU N N 20 120.400 123.042 -2.642 1
1 228 . 13 1 1 A 21 21 LEU H H 21 8.520 8.030 0.490 1
1 229 . 13 1 1 A 21 21 LEU HA H 21 3.910 4.031 -0.121 1
1 239 . 13 1 1 A 21 21 LEU CA C 21 59.200 58.424 0.776 1
1 240 . 13 1 1 A 21 21 LEU CB C 21 42.400 41.651 0.749 1
1 244 . 13 1 1 A 21 21 LEU N N 21 125.500 120.187 5.313 1
1 245 . 13 1 1 A 22 22 ARG H H 22 7.830 7.410 0.420 1
1 246 . 13 1 1 A 22 22 ARG HA H 22 4.230 4.234 -0.004 1
1 253 . 13 1 1 A 22 22 ARG CA C 22 57.300 57.410 -0.110 1
1 254 . 13 1 1 A 22 22 ARG CB C 22 28.800 30.543 -1.743 1
1 257 . 13 1 1 A 22 22 ARG N N 22 117.200 118.558 -1.358 1
1 258 . 13 1 1 A 23 23 PHE H H 23 9.380 7.893 1.487 1
1 259 . 13 1 1 A 23 23 PHE HA H 23 3.950 4.259 -0.309 1
1 267 . 13 1 1 A 23 23 PHE CA C 23 61.500 59.598 1.902 1
1 268 . 13 1 1 A 23 23 PHE CB C 23 40.200 37.848 2.352 1
1 272 . 13 1 1 A 23 23 PHE N N 23 118.500 118.800 -0.300 1
1 273 . 13 1 1 A 24 24 THR H H 24 8.600 8.057 0.543 1
1 274 . 13 1 1 A 24 24 THR HA H 24 4.030 4.046 -0.016 1
1 279 . 13 1 1 A 24 24 THR CA C 24 68.000 67.305 0.695 1
1 280 . 13 1 1 A 24 24 THR CB C 24 67.400 67.743 -0.343 1
1 282 . 13 1 1 A 24 24 THR N N 24 115.400 115.371 0.029 1
1 283 . 13 1 1 A 25 25 LEU H H 25 8.200 7.915 0.285 1
1 284 . 13 1 1 A 25 25 LEU HA H 25 3.390 3.701 -0.311 1
1 294 . 13 1 1 A 25 25 LEU CA C 25 58.200 58.076 0.124 1
1 295 . 13 1 1 A 25 25 LEU CB C 25 42.200 41.586 0.614 1
1 299 . 13 1 1 A 25 25 LEU N N 25 124.500 120.598 3.902 1
1 300 . 13 1 1 A 26 26 GLY H H 26 8.520 8.169 0.351 1
1 301 . 13 1 1 A 26 26 GLY HA2 H 26 3.910 3.907 0.003 1
1 302 . 13 1 1 A 26 26 GLY HA3 H 26 3.570 3.965 -0.395 1
1 303 . 13 1 1 A 26 26 GLY CA C 26 48.400 47.181 1.219 1
1 304 . 13 1 1 A 26 26 GLY N N 26 104.600 105.546 -0.946 1
1 305 . 13 1 1 A 27 27 LYS H H 27 8.730 7.881 0.849 1
1 306 . 13 1 1 A 27 27 LYS HA H 27 2.970 3.497 -0.527 1
1 315 . 13 1 1 A 27 27 LYS CA C 27 59.100 58.026 1.074 1
1 316 . 13 1 1 A 27 27 LYS CB C 27 31.400 32.060 -0.660 1
1 320 . 13 1 1 A 27 27 LYS N N 27 121.200 121.594 -0.394 1
1 321 . 13 1 1 A 28 28 THR H H 28 7.420 7.768 -0.348 1
1 322 . 13 1 1 A 28 28 THR HA H 28 3.680 3.771 -0.091 1
1 327 . 13 1 1 A 28 28 THR CA C 28 67.100 66.368 0.732 1
1 328 . 13 1 1 A 28 28 THR CB C 28 67.700 68.280 -0.580 1
1 330 . 13 1 1 A 28 28 THR N N 28 114.500 116.552 -2.052 1
1 331 . 13 1 1 A 29 29 TYR H H 29 8.220 8.202 0.018 1
1 332 . 13 1 1 A 29 29 TYR HA H 29 4.380 4.274 0.106 1
1 339 . 13 1 1 A 29 29 TYR CA C 29 61.400 59.598 1.802 1
1 340 . 13 1 1 A 29 29 TYR CB C 29 37.100 37.272 -0.172 1
1 343 . 13 1 1 A 29 29 TYR N N 29 120.400 120.702 -0.302 1
1 344 . 13 1 1 A 30 30 ALA H H 30 8.500 7.917 0.583 1
1 345 . 13 1 1 A 30 30 ALA HA H 30 3.770 3.684 0.086 1
1 349 . 13 1 1 A 30 30 ALA CA C 30 56.000 54.732 1.268 1
1 350 . 13 1 1 A 30 30 ALA CB C 30 18.200 18.352 -0.152 1
1 351 . 13 1 1 A 30 30 ALA N N 30 123.300 123.019 0.281 1
1 352 . 13 1 1 A 31 31 GLU H H 31 8.940 7.571 1.369 1
1 353 . 13 1 1 A 31 31 GLU HA H 31 4.180 4.179 0.001 1
1 358 . 13 1 1 A 31 31 GLU CA C 31 58.600 58.419 0.181 1
1 359 . 13 1 1 A 31 31 GLU CB C 31 28.700 29.603 -0.903 1
1 361 . 13 1 1 A 31 31 GLU N N 31 120.700 119.160 1.540 1
1 362 . 13 1 1 A 32 32 HIS H H 32 7.340 7.377 -0.037 1
1 363 . 13 1 1 A 32 32 HIS HA H 32 4.740 4.534 0.206 1
1 368 . 13 1 1 A 32 32 HIS CA C 32 54.800 55.635 -0.835 1
1 369 . 13 1 1 A 32 32 HIS CB C 32 28.200 29.892 -1.692 1
1 372 . 13 1 1 A 32 32 HIS N N 32 115.300 115.141 0.159 1
1 373 . 13 1 1 A 33 33 GLU H H 33 7.830 7.662 0.168 1
1 374 . 13 1 1 A 33 33 GLU HA H 33 2.500 3.176 -0.676 1
1 379 . 13 1 1 A 33 33 GLU CA C 33 56.800 57.297 -0.497 1
1 380 . 13 1 1 A 33 33 GLU CB C 33 25.000 29.119 -4.119 1
1 382 . 13 1 1 A 33 33 GLU N N 33 112.200 117.998 -5.798 1
1 383 . 13 1 1 A 34 34 GLN H H 34 8.030 7.979 0.051 1
1 384 . 13 1 1 A 34 34 GLN HA H 34 4.460 4.349 0.111 1
1 391 . 13 1 1 A 34 34 GLN CA C 34 53.200 54.232 -1.032 1
1 392 . 13 1 1 A 34 34 GLN CB C 34 26.500 27.617 -1.117 1
1 394 . 13 1 1 A 34 34 GLN N N 34 121.000 118.641 2.359 1
1 396 . 13 1 1 A 35 35 PHE H H 35 7.050 7.741 -0.691 1
1 397 . 13 1 1 A 35 35 PHE HA H 35 4.180 4.154 0.026 1
1 405 . 13 1 1 A 35 35 PHE CA C 35 60.700 60.827 -0.127 1
1 406 . 13 1 1 A 35 35 PHE CB C 35 38.200 38.541 -0.341 1
1 410 . 13 1 1 A 35 35 PHE N N 35 118.600 122.735 -4.135 1
1 411 . 13 1 1 A 36 36 ASP H H 36 8.410 8.362 0.048 1
1 412 . 13 1 1 A 36 36 ASP HA H 36 4.200 4.361 -0.161 1
1 415 . 13 1 1 A 36 36 ASP CA C 36 56.700 57.706 -1.006 1
1 416 . 13 1 1 A 36 36 ASP CB C 36 38.800 41.553 -2.753 1
1 417 . 13 1 1 A 36 36 ASP N N 36 117.000 120.382 -3.382 1
1 418 . 13 1 1 A 37 37 ALA H H 37 7.540 7.870 -0.330 1
1 419 . 13 1 1 A 37 37 ALA HA H 37 3.860 4.029 -0.169 1
1 423 . 13 1 1 A 37 37 ALA CA C 37 52.900 54.623 -1.723 1
1 424 . 13 1 1 A 37 37 ALA CB C 37 16.300 17.986 -1.686 1
1 425 . 13 1 1 A 37 37 ALA N N 37 120.900 120.926 -0.026 1
1 426 . 13 1 1 A 38 38 ALA H H 38 7.700 7.634 0.066 1
1 427 . 13 1 1 A 38 38 ALA HA H 38 4.210 3.769 0.441 1
1 431 . 13 1 1 A 38 38 ALA CA C 38 55.100 54.917 0.183 1
1 432 . 13 1 1 A 38 38 ALA CB C 38 20.500 18.182 2.318 1
1 433 . 13 1 1 A 38 38 ALA N N 38 117.600 120.062 -2.462 1
1 434 . 13 1 1 A 39 39 LEU H H 39 7.430 8.027 -0.597 1
1 435 . 13 1 1 A 39 39 LEU HA H 39 4.050 3.940 0.110 1
1 445 . 13 1 1 A 39 39 LEU CA C 39 60.500 59.992 0.508 1
1 446 . 13 1 1 A 39 39 LEU CB C 39 39.200 40.097 -0.897 1
1 450 . 13 1 1 A 39 39 LEU N N 39 114.900 118.260 -3.360 1
1 451 . 13 1 1 A 40 40 PRO HA H 40 4.180 4.345 -0.165 1
1 458 . 13 1 1 A 40 40 PRO CA C 40 65.100 65.505 -0.405 1
1 459 . 13 1 1 A 40 40 PRO CB C 40 30.600 30.796 -0.196 1
1 462 . 13 1 1 A 41 41 HIS H H 41 6.570 7.494 -0.924 1
1 463 . 13 1 1 A 41 41 HIS HA H 41 4.740 4.144 0.596 1
1 468 . 13 1 1 A 41 41 HIS CA C 41 58.800 59.448 -0.648 1
1 469 . 13 1 1 A 41 41 HIS CB C 41 30.800 29.501 1.299 1
1 472 . 13 1 1 A 41 41 HIS N N 41 116.500 117.634 -1.134 1
1 473 . 13 1 1 A 42 42 LEU H H 42 8.140 8.762 -0.622 1
1 474 . 13 1 1 A 42 42 LEU HA H 42 4.120 3.835 0.285 1
1 484 . 13 1 1 A 42 42 LEU CA C 42 57.800 57.812 -0.012 1
1 485 . 13 1 1 A 42 42 LEU CB C 42 42.100 41.284 0.816 1
1 489 . 13 1 1 A 42 42 LEU N N 42 119.900 119.435 0.465 1
1 490 . 13 1 1 A 43 43 ARG H H 43 8.300 7.990 0.310 1
1 491 . 13 1 1 A 43 43 ARG HA H 43 3.740 4.121 -0.381 1
1 498 . 13 1 1 A 43 43 ARG CA C 43 59.700 59.019 0.681 1
1 499 . 13 1 1 A 43 43 ARG CB C 43 28.300 29.915 -1.615 1
1 502 . 13 1 1 A 43 43 ARG N N 43 116.400 119.257 -2.857 1
1 503 . 13 1 1 A 44 44 ALA H H 44 7.850 7.904 -0.054 1
1 504 . 13 1 1 A 44 44 ALA HA H 44 4.060 4.125 -0.065 1
1 508 . 13 1 1 A 44 44 ALA CA C 44 54.600 54.908 -0.308 1
1 509 . 13 1 1 A 44 44 ALA CB C 44 17.000 18.121 -1.121 1
1 510 . 13 1 1 A 44 44 ALA N N 44 121.000 122.029 -1.029 1
1 511 . 13 1 1 A 45 45 ALA H H 45 8.440 7.510 0.930 1
1 512 . 13 1 1 A 45 45 ALA HA H 45 4.270 3.860 0.410 1
1 516 . 13 1 1 A 45 45 ALA CA C 45 56.200 54.686 1.514 1
1 517 . 13 1 1 A 45 45 ALA CB C 45 17.000 17.722 -0.722 1
1 518 . 13 1 1 A 45 45 ALA N N 45 121.200 120.794 0.406 1
1 519 . 13 1 1 A 46 46 LEU H H 46 7.310 8.239 -0.929 1
1 520 . 13 1 1 A 46 46 LEU HA H 46 4.010 4.211 -0.201 1
1 530 . 13 1 1 A 46 46 LEU CA C 46 55.900 57.906 -2.006 1
1 531 . 13 1 1 A 46 46 LEU CB C 46 42.200 41.239 0.961 1
1 535 . 13 1 1 A 46 46 LEU N N 46 116.800 118.857 -2.057 1
1 536 . 13 1 1 A 47 47 ASP H H 47 7.590 7.912 -0.322 1
1 537 . 13 1 1 A 47 47 ASP HA H 47 4.440 4.310 0.130 1
1 540 . 13 1 1 A 47 47 ASP CA C 47 55.500 57.092 -1.592 1
1 541 . 13 1 1 A 47 47 ASP CB C 47 39.200 40.567 -1.367 1
1 542 . 13 1 1 A 47 47 ASP N N 47 118.900 119.737 -0.837 1
1 543 . 13 1 1 A 48 48 PHE H H 48 7.490 7.563 -0.073 1
1 544 . 13 1 1 A 48 48 PHE HA H 48 4.450 4.373 0.077 1
1 552 . 13 1 1 A 48 48 PHE CA C 48 61.200 59.834 1.366 1
1 553 . 13 1 1 A 48 48 PHE CB C 48 39.600 40.077 -0.477 1
1 557 . 13 1 1 A 48 48 PHE N N 48 117.200 116.452 0.748 1
1 558 . 13 1 1 A 49 49 ASP H H 49 7.790 8.272 -0.482 1
1 559 . 13 1 1 A 49 49 ASP HA H 49 4.980 5.134 -0.154 1
1 562 . 13 1 1 A 49 49 ASP CA C 49 51.000 51.765 -0.765 1
1 563 . 13 1 1 A 49 49 ASP CB C 49 41.800 41.604 0.196 1
1 564 . 13 1 1 A 49 49 ASP N N 49 113.500 117.580 -4.080 1
1 565 . 13 1 1 A 50 50 PRO HA H 50 4.780 4.758 0.022 1
1 572 . 13 1 1 A 50 50 PRO CA C 50 64.000 64.266 -0.266 1
1 573 . 13 1 1 A 50 50 PRO CB C 50 32.000 31.892 0.108 1
1 576 . 13 1 1 A 51 51 THR H H 51 8.640 7.985 0.655 1
1 577 . 13 1 1 A 51 51 THR HA H 51 4.620 4.774 -0.154 1
1 582 . 13 1 1 A 51 51 THR CA C 51 60.900 62.289 -1.389 1
1 583 . 13 1 1 A 51 51 THR CB C 51 68.600 69.505 -0.905 1
1 585 . 13 1 1 A 51 51 THR N N 51 111.900 109.210 2.690 1
1 586 . 13 1 1 A 52 52 TYR H H 52 7.350 7.462 -0.112 1
1 587 . 13 1 1 A 52 52 TYR HA H 52 4.820 4.545 0.275 1
1 594 . 13 1 1 A 52 52 TYR CA C 52 56.100 55.833 0.267 1
1 595 . 13 1 1 A 52 52 TYR CB C 52 35.900 37.510 -1.610 1
1 598 . 13 1 1 A 52 52 TYR N N 52 122.600 123.878 -1.278 1
1 599 . 13 1 1 A 53 53 SER H H 53 8.480 7.608 0.872 1
1 600 . 13 1 1 A 53 53 SER HA H 53 4.170 1.518 2.652 1
1 603 . 13 1 1 A 53 53 SER CA C 53 62.900 61.506 1.394 1
1 604 . 13 1 1 A 53 53 SER CB C 53 62.900 62.324 0.576 1
1 605 . 13 1 1 A 53 53 SER N N 53 127.100 122.332 4.768 1
1 606 . 13 1 1 A 54 54 VAL H H 54 7.860 7.480 0.380 1
1 607 . 13 1 1 A 54 54 VAL HA H 54 3.850 3.572 0.278 1
1 615 . 13 1 1 A 54 54 VAL CA C 54 65.500 66.487 -0.987 1
1 616 . 13 1 1 A 54 54 VAL CB C 54 31.200 31.434 -0.234 1
1 619 . 13 1 1 A 54 54 VAL N N 54 116.800 121.413 -4.613 1
1 620 . 13 1 1 A 55 55 ALA H H 55 7.120 8.290 -1.170 1
1 621 . 13 1 1 A 55 55 ALA HA H 55 4.490 4.507 -0.017 1
1 625 . 13 1 1 A 55 55 ALA CA C 55 55.700 55.297 0.403 1
1 626 . 13 1 1 A 55 55 ALA CB C 55 16.700 18.611 -1.911 1
1 627 . 13 1 1 A 55 55 ALA N N 55 123.000 121.323 1.677 1
1 628 . 13 1 1 A 56 56 TRP H H 56 7.340 7.705 -0.365 1
1 629 . 13 1 1 A 56 56 TRP HA H 56 4.160 4.588 -0.428 1
1 638 . 13 1 1 A 56 56 TRP CA C 56 60.700 60.003 0.697 1
1 639 . 13 1 1 A 56 56 TRP CB C 56 30.100 28.834 1.266 1
1 645 . 13 1 1 A 56 56 TRP N N 56 119.300 118.293 1.007 1
1 647 . 13 1 1 A 57 57 LYS H H 57 8.330 7.797 0.533 1
1 648 . 13 1 1 A 57 57 LYS HA H 57 3.970 4.177 -0.207 1
1 657 . 13 1 1 A 57 57 LYS CA C 57 59.300 59.205 0.095 1
1 658 . 13 1 1 A 57 57 LYS CB C 57 34.400 31.956 2.444 1
1 662 . 13 1 1 A 57 57 LYS N N 57 117.700 120.510 -2.810 1
1 663 . 13 1 1 A 58 58 TRP H H 58 8.170 7.757 0.413 1
1 664 . 13 1 1 A 58 58 TRP HA H 58 4.230 4.653 -0.423 1
1 673 . 13 1 1 A 58 58 TRP CA C 58 61.600 60.073 1.527 1
1 674 . 13 1 1 A 58 58 TRP CB C 58 29.000 29.733 -0.733 1
1 680 . 13 1 1 A 58 58 TRP N N 58 119.100 120.320 -1.220 1
1 682 . 13 1 1 A 59 59 LEU H H 59 9.500 8.564 0.936 1
1 683 . 13 1 1 A 59 59 LEU HA H 59 4.090 4.064 0.026 1
1 693 . 13 1 1 A 59 59 LEU CA C 59 58.500 58.103 0.397 1
1 694 . 13 1 1 A 59 59 LEU CB C 59 41.300 42.017 -0.717 1
1 698 . 13 1 1 A 59 59 LEU N N 59 127.300 121.453 5.847 1
1 699 . 13 1 1 A 60 60 GLY H H 60 8.480 7.733 0.747 1
1 700 . 13 1 1 A 60 60 GLY HA2 H 60 3.050 2.796 0.254 1
1 701 . 13 1 1 A 60 60 GLY HA3 H 60 2.250 3.239 -0.989 1
1 702 . 13 1 1 A 60 60 GLY CA C 60 47.500 46.667 0.833 1
1 703 . 13 1 1 A 60 60 GLY N N 60 105.100 105.884 -0.784 1
1 704 . 13 1 1 A 61 61 LYS H H 61 7.680 8.082 -0.402 1
1 705 . 13 1 1 A 61 61 LYS HA H 61 3.890 4.067 -0.177 1
1 714 . 13 1 1 A 61 61 LYS CA C 61 59.300 59.301 -0.001 1
1 715 . 13 1 1 A 61 61 LYS CB C 61 32.000 32.174 -0.174 1
1 719 . 13 1 1 A 61 61 LYS N N 61 118.600 122.463 -3.863 1
1 720 . 13 1 1 A 62 62 THR H H 62 8.030 8.272 -0.242 1
1 721 . 13 1 1 A 62 62 THR HA H 62 3.780 4.262 -0.482 1
1 726 . 13 1 1 A 62 62 THR CA C 62 67.400 67.044 0.356 1
1 727 . 13 1 1 A 62 62 THR CB C 62 66.300 68.018 -1.718 1
1 729 . 13 1 1 A 62 62 THR N N 62 120.100 118.049 2.051 1
1 730 . 13 1 1 A 63 63 LEU H H 63 8.090 7.963 0.127 1
1 731 . 13 1 1 A 63 63 LEU HA H 63 4.080 3.812 0.268 1
1 741 . 13 1 1 A 63 63 LEU CA C 63 57.800 57.748 0.052 1
1 742 . 13 1 1 A 63 63 LEU CB C 63 40.800 40.850 -0.050 1
1 746 . 13 1 1 A 63 63 LEU N N 63 121.400 121.102 0.298 1
1 747 . 13 1 1 A 64 64 GLN H H 64 8.300 8.054 0.246 1
1 748 . 13 1 1 A 64 64 GLN HA H 64 3.400 3.791 -0.391 1
1 755 . 13 1 1 A 64 64 GLN CA C 64 59.300 59.282 0.018 1
1 756 . 13 1 1 A 64 64 GLN CB C 64 28.100 28.061 0.039 1
1 758 . 13 1 1 A 64 64 GLN N N 64 119.500 118.293 1.207 1
1 760 . 13 1 1 A 65 65 GLY H H 65 7.720 7.919 -0.199 1
1 761 . 13 1 1 A 65 65 GLY HA2 H 65 2.300 2.462 -0.162 1
1 762 . 13 1 1 A 65 65 GLY HA3 H 65 3.430 3.586 -0.156 1
1 763 . 13 1 1 A 65 65 GLY CA C 65 46.000 45.897 0.103 1
1 764 . 13 1 1 A 65 65 GLY N N 65 110.300 106.631 3.669 1
1 765 . 13 1 1 A 66 66 GLN H H 66 7.250 6.861 0.389 1
1 766 . 13 1 1 A 66 66 GLN HA H 66 4.270 4.318 -0.048 1
1 773 . 13 1 1 A 66 66 GLN CA C 66 55.900 56.957 -1.057 1
1 774 . 13 1 1 A 66 66 GLN CB C 66 30.000 29.339 0.661 1
1 776 . 13 1 1 A 66 66 GLN N N 66 117.500 119.956 -2.456 1
1 778 . 13 1 1 A 67 67 GLY H H 67 7.800 7.282 0.518 1
1 779 . 13 1 1 A 67 67 GLY HA2 H 67 4.230 3.981 0.249 1
1 780 . 13 1 1 A 67 67 GLY HA3 H 67 3.660 3.990 -0.330 1
1 781 . 13 1 1 A 67 67 GLY CA C 67 44.800 45.093 -0.293 1
1 782 . 13 1 1 A 67 67 GLY N N 67 107.400 107.448 -0.048 1
1 783 . 13 1 1 A 68 68 ASP H H 68 8.100 7.358 0.742 1
1 784 . 13 1 1 A 68 68 ASP HA H 68 4.780 4.749 0.031 1
1 787 . 13 1 1 A 68 68 ASP CA C 68 51.100 52.661 -1.561 1
1 788 . 13 1 1 A 68 68 ASP CB C 68 38.800 41.383 -2.583 1
1 789 . 13 1 1 A 68 68 ASP N N 68 121.600 120.771 0.829 1
1 790 . 13 1 1 A 69 69 ARG H H 69 7.770 8.608 -0.838 1
1 791 . 13 1 1 A 69 69 ARG HA H 69 3.650 3.981 -0.331 1
1 798 . 13 1 1 A 69 69 ARG CA C 69 59.800 58.749 1.051 1
1 799 . 13 1 1 A 69 69 ARG CB C 69 28.700 29.794 -1.094 1
1 802 . 13 1 1 A 69 69 ARG N N 69 123.700 126.034 -2.334 1
1 803 . 13 1 1 A 70 70 ALA H H 70 8.490 8.099 0.391 1
1 804 . 13 1 1 A 70 70 ALA HA H 70 4.040 4.023 0.017 1
1 808 . 13 1 1 A 70 70 ALA CA C 70 54.700 54.866 -0.166 1
1 809 . 13 1 1 A 70 70 ALA CB C 70 17.800 18.773 -0.973 1
1 810 . 13 1 1 A 70 70 ALA N N 70 122.400 122.746 -0.346 1
1 811 . 13 1 1 A 71 71 GLY H H 71 8.540 8.751 -0.211 1
1 812 . 13 1 1 A 71 71 GLY HA2 H 71 3.570 3.709 -0.139 1
1 813 . 13 1 1 A 71 71 GLY HA3 H 71 3.710 3.728 -0.018 1
1 814 . 13 1 1 A 71 71 GLY CA C 71 47.100 46.942 0.158 1
1 815 . 13 1 1 A 71 71 GLY N N 71 109.100 107.863 1.237 1
1 816 . 13 1 1 A 72 72 ALA H H 72 8.060 7.431 0.629 1
1 817 . 13 1 1 A 72 72 ALA HA H 72 3.310 3.399 -0.089 1
1 821 . 13 1 1 A 72 72 ALA CA C 72 55.200 54.680 0.520 1
1 822 . 13 1 1 A 72 72 ALA CB C 72 17.200 18.164 -0.964 1
1 823 . 13 1 1 A 72 72 ALA N N 72 126.600 124.668 1.932 1
1 824 . 13 1 1 A 73 73 ARG H H 73 7.840 8.151 -0.311 1
1 825 . 13 1 1 A 73 73 ARG HA H 73 3.760 4.206 -0.446 1
1 832 . 13 1 1 A 73 73 ARG CA C 73 59.700 59.859 -0.159 1
1 833 . 13 1 1 A 73 73 ARG CB C 73 29.800 29.929 -0.129 1
1 836 . 13 1 1 A 73 73 ARG N N 73 116.300 118.373 -2.073 1
1 837 . 13 1 1 A 74 74 GLN H H 74 7.690 7.948 -0.258 1
1 838 . 13 1 1 A 74 74 GLN HA H 74 3.970 4.060 -0.090 1
1 845 . 13 1 1 A 74 74 GLN CA C 74 58.800 58.938 -0.138 1
1 846 . 13 1 1 A 74 74 GLN CB C 74 28.400 28.719 -0.319 1
1 848 . 13 1 1 A 74 74 GLN N N 74 116.500 118.986 -2.486 1
1 850 . 13 1 1 A 75 75 ALA H H 75 8.160 7.810 0.350 1
1 851 . 13 1 1 A 75 75 ALA HA H 75 4.350 4.057 0.293 1
1 855 . 13 1 1 A 75 75 ALA CA C 75 54.400 54.931 -0.531 1
1 856 . 13 1 1 A 75 75 ALA CB C 75 17.600 18.166 -0.566 1
1 857 . 13 1 1 A 75 75 ALA N N 75 121.900 121.987 -0.087 1
1 858 . 13 1 1 A 76 76 TRP H H 76 8.640 8.393 0.247 1
1 859 . 13 1 1 A 76 76 TRP HA H 76 4.640 4.509 0.131 1
1 868 . 13 1 1 A 76 76 TRP CA C 76 58.200 59.533 -1.333 1
1 869 . 13 1 1 A 76 76 TRP CB C 76 27.600 28.730 -1.130 1
1 875 . 13 1 1 A 76 76 TRP N N 76 118.400 119.085 -0.685 1
1 877 . 13 1 1 A 77 77 GLU H H 77 9.050 8.746 0.304 1
1 878 . 13 1 1 A 77 77 GLU HA H 77 4.010 3.991 0.019 1
1 883 . 13 1 1 A 77 77 GLU CA C 77 58.900 59.856 -0.956 1
1 884 . 13 1 1 A 77 77 GLU CB C 77 28.100 29.448 -1.348 1
1 886 . 13 1 1 A 77 77 GLU N N 77 121.000 119.990 1.010 1
1 887 . 13 1 1 A 78 78 SER H H 78 8.280 8.142 0.138 1
1 888 . 13 1 1 A 78 78 SER HA H 78 3.800 4.163 -0.363 1
1 891 . 13 1 1 A 78 78 SER CA C 78 62.400 62.604 -0.204 1
1 892 . 13 1 1 A 78 78 SER CB C 78 68.000 62.596 5.404 1
1 893 . 13 1 1 A 78 78 SER N N 78 120.000 118.011 1.989 1
1 894 . 13 1 1 A 79 79 GLY H H 79 8.580 8.754 -0.174 1
1 895 . 13 1 1 A 79 79 GLY HA2 H 79 3.470 3.713 -0.243 1
1 896 . 13 1 1 A 79 79 GLY HA3 H 79 3.580 3.900 -0.320 1
1 897 . 13 1 1 A 79 79 GLY CA C 79 47.000 46.904 0.096 1
1 898 . 13 1 1 A 79 79 GLY N N 79 111.000 109.472 1.528 1
1 899 . 13 1 1 A 80 80 LEU H H 80 8.640 8.256 0.384 1
1 900 . 13 1 1 A 80 80 LEU HA H 80 3.830 4.118 -0.288 1
1 910 . 13 1 1 A 80 80 LEU CA C 80 58.200 57.651 0.549 1
1 911 . 13 1 1 A 80 80 LEU CB C 80 41.800 41.400 0.400 1
1 915 . 13 1 1 A 80 80 LEU N N 80 125.600 123.017 2.583 1
1 916 . 13 1 1 A 81 81 ALA H H 81 7.400 8.140 -0.740 1
1 917 . 13 1 1 A 81 81 ALA HA H 81 4.140 3.971 0.169 1
1 921 . 13 1 1 A 81 81 ALA CA C 81 54.600 55.042 -0.442 1
1 922 . 13 1 1 A 81 81 ALA CB C 81 17.500 18.270 -0.770 1
1 923 . 13 1 1 A 81 81 ALA N N 81 120.400 120.264 0.136 1
1 924 . 13 1 1 A 82 82 ALA H H 82 7.640 7.464 0.176 1
1 925 . 13 1 1 A 82 82 ALA HA H 82 4.160 3.832 0.328 1
1 929 . 13 1 1 A 82 82 ALA CA C 82 54.700 54.701 -0.001 1
1 930 . 13 1 1 A 82 82 ALA CB C 82 17.200 18.007 -0.807 1
1 931 . 13 1 1 A 82 82 ALA N N 82 120.900 120.113 0.787 1
1 932 . 13 1 1 A 83 83 ALA H H 83 8.910 8.027 0.883 1
1 933 . 13 1 1 A 83 83 ALA HA H 83 4.260 4.407 -0.147 1
1 937 . 13 1 1 A 83 83 ALA CA C 83 54.900 55.529 -0.629 1
1 938 . 13 1 1 A 83 83 ALA CB C 83 18.600 18.036 0.564 1
1 939 . 13 1 1 A 83 83 ALA N N 83 122.000 119.937 2.063 1
1 940 . 13 1 1 A 84 84 GLN H H 84 8.770 8.516 0.254 1
1 941 . 13 1 1 A 84 84 GLN HA H 84 3.940 4.089 -0.149 1
1 948 . 13 1 1 A 84 84 GLN CA C 84 58.800 59.398 -0.598 1
1 949 . 13 1 1 A 84 84 GLN CB C 84 28.200 28.392 -0.192 1
1 951 . 13 1 1 A 84 84 GLN N N 84 118.400 118.778 -0.378 1
1 953 . 13 1 1 A 85 85 SER H H 85 7.920 8.409 -0.489 1
1 954 . 13 1 1 A 85 85 SER HA H 85 4.250 4.195 0.055 1
1 957 . 13 1 1 A 85 85 SER CA C 85 61.200 61.037 0.163 1
1 958 . 13 1 1 A 85 85 SER CB C 85 62.700 63.248 -0.548 1
1 959 . 13 1 1 A 85 85 SER N N 85 115.200 115.233 -0.033 1
1 960 . 13 1 1 A 86 86 ARG H H 86 7.590 7.383 0.207 1
1 961 . 13 1 1 A 86 86 ARG HA H 86 4.380 4.460 -0.080 1
1 968 . 13 1 1 A 86 86 ARG CA C 86 55.800 55.905 -0.105 1
1 969 . 13 1 1 A 86 86 ARG CB C 86 31.200 31.199 0.001 1
1 972 . 13 1 1 A 86 86 ARG N N 86 117.800 117.575 0.225 1
1 973 . 13 1 1 A 87 87 GLY H H 87 7.790 8.028 -0.238 1
1 974 . 13 1 1 A 87 87 GLY HA2 H 87 3.870 3.978 -0.108 1
1 975 . 13 1 1 A 87 87 GLY HA3 H 87 4.080 3.979 0.101 1
1 976 . 13 1 1 A 87 87 GLY CA C 87 46.100 45.563 0.537 1
1 977 . 13 1 1 A 87 87 GLY N N 87 109.100 108.297 0.803 1
1 978 . 13 1 1 A 88 88 ASP H H 88 8.210 8.211 -0.001 1
1 979 . 13 1 1 A 88 88 ASP HA H 88 4.830 4.891 -0.061 1
1 982 . 13 1 1 A 88 88 ASP CA C 88 52.100 52.791 -0.691 1
1 983 . 13 1 1 A 88 88 ASP CB C 88 39.000 38.928 0.072 1
1 984 . 13 1 1 A 88 88 ASP N N 88 120.200 121.033 -0.833 1
1 985 . 13 1 1 A 89 89 GLN H H 89 8.110 8.156 -0.046 1
1 986 . 13 1 1 A 89 89 GLN HA H 89 3.840 4.033 -0.193 1
1 993 . 13 1 1 A 89 89 GLN CA C 89 58.500 59.244 -0.744 1
1 994 . 13 1 1 A 89 89 GLN CB C 89 28.000 28.399 -0.399 1
1 996 . 13 1 1 A 89 89 GLN N N 89 122.400 122.520 -0.120 1
1 998 . 13 1 1 A 90 90 GLN H H 90 8.720 7.879 0.841 1
1 999 . 13 1 1 A 90 90 GLN HA H 90 4.000 4.067 -0.067 1
1 1006 . 13 1 1 A 90 90 GLN CA C 90 58.800 58.689 0.111 1
1 1007 . 13 1 1 A 90 90 GLN CB C 90 27.800 28.455 -0.655 1
1 1009 . 13 1 1 A 90 90 GLN N N 90 119.100 119.960 -0.860 1
1 1011 . 13 1 1 A 91 91 VAL H H 91 7.170 7.987 -0.817 1
1 1012 . 13 1 1 A 91 91 VAL HA H 91 3.660 3.694 -0.034 1
1 1020 . 13 1 1 A 91 91 VAL CA C 91 65.500 66.290 -0.790 1
1 1021 . 13 1 1 A 91 91 VAL CB C 91 31.300 31.564 -0.264 1
1 1024 . 13 1 1 A 91 91 VAL N N 91 119.900 119.513 0.387 1
1 1025 . 13 1 1 A 92 92 VAL H H 92 7.880 8.042 -0.162 1
1 1026 . 13 1 1 A 92 92 VAL HA H 92 3.240 3.561 -0.321 1
1 1034 . 13 1 1 A 92 92 VAL CA C 92 67.300 66.847 0.453 1
1 1035 . 13 1 1 A 92 92 VAL CB C 92 31.500 31.346 0.154 1
1 1038 . 13 1 1 A 92 92 VAL N N 92 119.900 120.602 -0.702 1
1 1039 . 13 1 1 A 93 93 LYS H H 93 7.480 8.084 -0.604 1
1 1040 . 13 1 1 A 93 93 LYS HA H 93 3.920 3.872 0.048 1
1 1049 . 13 1 1 A 93 93 LYS CA C 93 59.300 60.157 -0.857 1
1 1050 . 13 1 1 A 93 93 LYS CB C 93 31.900 32.051 -0.151 1
1 1054 . 13 1 1 A 93 93 LYS N N 93 116.000 118.705 -2.705 1
1 1055 . 13 1 1 A 94 94 GLU H H 94 7.480 8.230 -0.750 1
1 1056 . 13 1 1 A 94 94 GLU HA H 94 3.580 3.995 -0.415 1
1 1061 . 13 1 1 A 94 94 GLU CA C 94 58.600 59.023 -0.423 1
1 1062 . 13 1 1 A 94 94 GLU CB C 94 29.500 29.355 0.145 1
1 1064 . 13 1 1 A 94 94 GLU N N 94 117.500 120.477 -2.977 1
1 1065 . 13 1 1 A 95 95 LEU H H 95 8.370 8.571 -0.201 1
1 1066 . 13 1 1 A 95 95 LEU HA H 95 3.530 4.190 -0.660 1
1 1076 . 13 1 1 A 95 95 LEU CA C 95 57.600 57.665 -0.065 1
1 1077 . 13 1 1 A 95 95 LEU CB C 95 40.900 41.169 -0.269 1
1 1081 . 13 1 1 A 95 95 LEU N N 95 117.500 120.185 -2.685 1
1 1082 . 13 1 1 A 96 96 GLN H H 96 8.330 8.301 0.029 1
1 1083 . 13 1 1 A 96 96 GLN HA H 96 3.980 3.892 0.088 1
1 1090 . 13 1 1 A 96 96 GLN CA C 96 58.900 59.440 -0.540 1
1 1091 . 13 1 1 A 96 96 GLN CB C 96 28.100 27.987 0.113 1
1 1093 . 13 1 1 A 96 96 GLN N N 96 117.600 119.867 -2.267 1
1 1095 . 13 1 1 A 97 97 VAL H H 97 7.450 7.606 -0.156 1
1 1096 . 13 1 1 A 97 97 VAL HA H 97 3.450 3.470 -0.020 1
1 1104 . 13 1 1 A 97 97 VAL CA C 97 66.700 66.058 0.642 1
1 1105 . 13 1 1 A 97 97 VAL CB C 97 31.000 31.228 -0.228 1
1 1108 . 13 1 1 A 97 97 VAL N N 97 120.300 118.874 1.426 1
1 1109 . 13 1 1 A 98 98 PHE H H 98 7.460 7.544 -0.084 1
1 1110 . 13 1 1 A 98 98 PHE HA H 98 3.980 3.974 0.006 1
1 1118 . 13 1 1 A 98 98 PHE CA C 98 58.700 60.386 -1.686 1
1 1119 . 13 1 1 A 98 98 PHE CB C 98 35.500 37.795 -2.295 1
1 1123 . 13 1 1 A 98 98 PHE N N 98 119.100 118.561 0.539 1
1 1124 . 13 1 1 A 99 99 LEU H H 99 8.330 7.956 0.374 1
1 1125 . 13 1 1 A 99 99 LEU HA H 99 4.090 3.959 0.131 1
1 1135 . 13 1 1 A 99 99 LEU CA C 99 57.800 57.742 0.058 1
1 1136 . 13 1 1 A 99 99 LEU CB C 99 41.800 41.076 0.724 1
1 1140 . 13 1 1 A 99 99 LEU N N 99 119.300 119.534 -0.234 1
1 1141 . 13 1 1 A 100 100 ARG H H 100 8.350 7.933 0.417 1
1 1142 . 13 1 1 A 100 100 ARG HA H 100 4.110 3.980 0.130 1
1 1149 . 13 1 1 A 100 100 ARG CA C 100 59.300 59.524 -0.224 1
1 1150 . 13 1 1 A 100 100 ARG CB C 100 29.900 29.965 -0.065 1
1 1153 . 13 1 1 A 100 100 ARG N N 100 121.900 119.697 2.203 1
1 1154 . 13 1 1 A 101 101 ARG H H 101 8.110 7.453 0.657 1
1 1155 . 13 1 1 A 101 101 ARG HA H 101 4.020 4.102 -0.082 1
1 1162 . 13 1 1 A 101 101 ARG CA C 101 57.600 59.149 -1.549 1
1 1163 . 13 1 1 A 101 101 ARG CB C 101 30.200 30.377 -0.177 1
1 1166 . 13 1 1 A 101 101 ARG N N 101 120.500 118.890 1.610 1
1 1167 . 13 1 1 A 102 102 LEU H H 102 7.890 8.370 -0.480 1
1 1168 . 13 1 1 A 102 102 LEU HA H 102 4.150 4.165 -0.015 1
1 1178 . 13 1 1 A 102 102 LEU CA C 102 57.600 57.845 -0.245 1
1 1179 . 13 1 1 A 102 102 LEU CB C 102 42.300 41.516 0.784 1
1 1183 . 13 1 1 A 102 102 LEU N N 102 119.900 121.426 -1.526 1
1 1184 . 13 1 1 A 103 103 ALA H H 103 7.880 8.742 -0.862 1
1 1185 . 13 1 1 A 103 103 ALA HA H 103 4.170 3.945 0.225 1
1 1189 . 13 1 1 A 103 103 ALA CA C 103 54.700 55.142 -0.442 1
1 1190 . 13 1 1 A 103 103 ALA CB C 103 17.800 18.344 -0.544 1
1 1191 . 13 1 1 A 103 103 ALA N N 103 120.000 120.713 -0.713 1
1 1192 . 13 1 1 A 104 104 ARG H H 104 8.060 8.114 -0.054 1
1 1193 . 13 1 1 A 104 104 ARG HA H 104 4.130 4.042 0.088 1
1 1200 . 13 1 1 A 104 104 ARG CA C 104 58.500 59.873 -1.373 1
1 1201 . 13 1 1 A 104 104 ARG CB C 104 29.800 30.117 -0.317 1
1 1204 . 13 1 1 A 104 104 ARG N N 104 119.800 117.620 2.180 1
1 1205 . 13 1 1 A 105 105 GLU H H 105 8.050 7.767 0.283 1
1 1206 . 13 1 1 A 105 105 GLU HA H 105 4.020 4.147 -0.127 1
1 1211 . 13 1 1 A 105 105 GLU CA C 105 58.500 59.391 -0.891 1
1 1212 . 13 1 1 A 105 105 GLU CB C 105 28.900 29.608 -0.708 1
1 1214 . 13 1 1 A 105 105 GLU N N 105 119.700 119.507 0.193 1
1 1215 . 13 1 1 A 106 106 ASP H H 106 8.360 8.698 -0.338 1
1 1216 . 13 1 1 A 106 106 ASP HA H 106 4.380 4.444 -0.064 1
1 1219 . 13 1 1 A 106 106 ASP CA C 106 56.500 57.889 -1.389 1
1 1220 . 13 1 1 A 106 106 ASP CB C 106 40.500 41.993 -1.493 1
1 1221 . 13 1 1 A 106 106 ASP N N 106 119.800 119.955 -0.155 1
1 1222 . 13 1 1 A 107 107 ALA H H 107 7.910 8.299 -0.389 1
1 1223 . 13 1 1 A 107 107 ALA HA H 107 4.150 4.136 0.014 1
1 1227 . 13 1 1 A 107 107 ALA CA C 107 54.200 55.108 -0.908 1
1 1228 . 13 1 1 A 107 107 ALA CB C 107 18.100 18.220 -0.120 1
1 1229 . 13 1 1 A 107 107 ALA N N 107 121.900 121.600 0.300 1
1 1230 . 13 1 1 A 108 108 LEU H H 108 7.840 7.464 0.376 1
1 1231 . 13 1 1 A 108 108 LEU HA H 108 4.120 4.157 -0.037 1
1 1241 . 13 1 1 A 108 108 LEU CA C 108 56.400 57.887 -1.487 1
1 1242 . 13 1 1 A 108 108 LEU CB C 108 42.000 42.017 -0.017 1
1 1246 . 13 1 1 A 108 108 LEU N N 108 119.000 118.690 0.310 1
1 1247 . 13 1 1 A 109 109 GLU H H 109 7.860 8.300 -0.440 1
1 1248 . 13 1 1 A 109 109 GLU HA H 109 4.090 4.314 -0.224 1
1 1253 . 13 1 1 A 109 109 GLU CA C 109 57.000 58.212 -1.212 1
1 1254 . 13 1 1 A 109 109 GLU CB C 109 29.100 27.481 1.619 1
1 1256 . 13 1 1 A 109 109 GLU N N 109 118.600 115.697 2.903 1
1 1257 . 13 1 1 A 110 110 HIS H H 110 8.140 8.058 0.082 1
1 1258 . 13 1 1 A 110 110 HIS HA H 110 4.560 4.374 0.186 1
1 1261 . 13 1 1 A 110 110 HIS CA C 110 55.600 57.698 -2.098 1
1 1262 . 13 1 1 A 110 110 HIS CB C 110 28.300 31.145 -2.845 1
1 1263 . 13 1 1 A 110 110 HIS N N 110 117.000 118.616 -1.616 1
1 1264 . 13 1 1 A 111 111 HIS H H 111 8.340 8.098 0.242 1
1 1265 . 13 1 1 A 111 111 HIS HA H 111 4.600 4.040 0.560 1
1 1268 . 13 1 1 A 111 111 HIS CA C 111 55.500 57.421 -1.921 1
1 1269 . 13 1 1 A 111 111 HIS CB C 111 28.500 30.424 -1.924 1
1 1270 . 13 1 1 A 111 111 HIS N N 111 117.800 118.340 -0.540 1
1 1271 . 13 1 1 A 112 112 HIS H H 112 8.530 7.747 0.783 1
1 1272 . 13 1 1 A 112 112 HIS HA H 112 4.620 4.464 0.156 1
1 1275 . 13 1 1 A 112 112 HIS CA C 112 55.300 56.106 -0.806 1
1 1276 . 13 1 1 A 112 112 HIS CB C 112 28.800 30.800 -2.000 1
1 1277 . 13 1 1 A 112 112 HIS N N 112 119.000 115.204 3.796 1
1 1278 . 13 1 1 A 113 113 HIS H H 113 8.660 7.308 1.352 1
1 1279 . 13 1 1 A 113 113 HIS HA H 113 4.640 4.542 0.098 1
1 1282 . 13 1 1 A 113 113 HIS CA C 113 55.200 55.005 0.195 1
1 1283 . 13 1 1 A 113 113 HIS CB C 113 28.900 30.762 -1.862 1
1 1284 . 13 1 1 A 113 113 HIS N N 113 120.000 113.683 6.317 1
1 1285 . 13 1 1 A 114 114 HIS H H 114 8.630 7.197 1.433 1
1 1286 . 13 1 1 A 114 114 HIS HA H 114 4.610 4.600 0.010 1
1 1289 . 13 1 1 A 114 114 HIS CA C 114 55.200 55.901 -0.701 1
1 1290 . 13 1 1 A 114 114 HIS CB C 114 28.900 32.281 -3.381 1
1 1291 . 13 1 1 A 114 114 HIS N N 114 120.800 117.167 3.633 1
1 9 . 14 1 1 A 2 2 GLN H H 2 8.840 8.691 0.149 1
1 10 . 14 1 1 A 2 2 GLN HA H 2 4.310 4.634 -0.324 1
1 17 . 14 1 1 A 2 2 GLN CA C 2 55.600 54.383 1.217 1
1 18 . 14 1 1 A 2 2 GLN CB C 2 29.900 30.896 -0.996 1
1 20 . 14 1 1 A 2 2 GLN N N 2 124.000 122.165 1.835 1
1 22 . 14 1 1 A 3 3 ALA H H 3 8.780 8.611 0.169 1
1 23 . 14 1 1 A 3 3 ALA HA H 3 4.240 3.911 0.329 1
1 27 . 14 1 1 A 3 3 ALA CA C 3 52.600 52.845 -0.245 1
1 28 . 14 1 1 A 3 3 ALA CB C 3 18.800 17.044 1.756 1
1 29 . 14 1 1 A 3 3 ALA N N 3 127.500 120.360 7.140 1
1 30 . 14 1 1 A 4 4 ILE H H 4 8.490 7.742 0.748 1
1 31 . 14 1 1 A 4 4 ILE HA H 4 3.820 3.672 0.148 1
1 41 . 14 1 1 A 4 4 ILE CA C 4 63.700 65.004 -1.304 1
1 42 . 14 1 1 A 4 4 ILE CB C 4 37.800 37.627 0.173 1
1 46 . 14 1 1 A 4 4 ILE N N 4 120.900 116.730 4.170 1
1 47 . 14 1 1 A 5 5 THR H H 5 7.730 8.021 -0.291 1
1 48 . 14 1 1 A 5 5 THR HA H 5 3.540 3.693 -0.153 1
1 53 . 14 1 1 A 5 5 THR CA C 5 64.700 65.279 -0.579 1
1 54 . 14 1 1 A 5 5 THR CB C 5 66.700 68.622 -1.922 1
1 56 . 14 1 1 A 5 5 THR N N 5 110.700 115.192 -4.492 1
1 57 . 14 1 1 A 6 6 GLU H H 6 7.220 7.850 -0.630 1
1 58 . 14 1 1 A 6 6 GLU HA H 6 3.940 3.963 -0.023 1
1 63 . 14 1 1 A 6 6 GLU CA C 6 59.200 59.643 -0.443 1
1 64 . 14 1 1 A 6 6 GLU CB C 6 28.900 29.114 -0.214 1
1 66 . 14 1 1 A 6 6 GLU N N 6 120.400 120.690 -0.290 1
1 67 . 14 1 1 A 7 7 ARG H H 7 7.930 7.581 0.349 1
1 68 . 14 1 1 A 7 7 ARG HA H 7 3.950 4.062 -0.112 1
1 75 . 14 1 1 A 7 7 ARG CA C 7 59.100 58.698 0.402 1
1 76 . 14 1 1 A 7 7 ARG CB C 7 30.100 29.733 0.367 1
1 79 . 14 1 1 A 7 7 ARG N N 7 119.900 118.584 1.316 1
1 80 . 14 1 1 A 8 8 LEU H H 8 8.130 8.090 0.040 1
1 81 . 14 1 1 A 8 8 LEU HA H 8 4.150 3.958 0.192 1
1 91 . 14 1 1 A 8 8 LEU CA C 8 57.800 57.968 -0.168 1
1 92 . 14 1 1 A 8 8 LEU CB C 8 41.000 41.039 -0.039 1
1 96 . 14 1 1 A 8 8 LEU N N 8 119.600 121.136 -1.536 1
1 97 . 14 1 1 A 9 9 GLU H H 9 8.530 8.669 -0.139 1
1 98 . 14 1 1 A 9 9 GLU HA H 9 4.150 3.990 0.160 1
1 103 . 14 1 1 A 9 9 GLU CA C 9 59.100 59.600 -0.500 1
1 104 . 14 1 1 A 9 9 GLU CB C 9 28.300 29.231 -0.931 1
1 106 . 14 1 1 A 9 9 GLU N N 9 118.200 118.538 -0.338 1
1 107 . 14 1 1 A 10 10 ALA H H 10 7.800 8.187 -0.387 1
1 108 . 14 1 1 A 10 10 ALA HA H 10 4.230 4.105 0.125 1
1 112 . 14 1 1 A 10 10 ALA CA C 10 55.000 55.233 -0.233 1
1 113 . 14 1 1 A 10 10 ALA CB C 10 17.200 18.227 -1.027 1
1 114 . 14 1 1 A 10 10 ALA N N 10 122.900 122.418 0.482 1
1 115 . 14 1 1 A 11 11 MET H H 11 7.700 8.423 -0.723 1
1 116 . 14 1 1 A 11 11 MET HA H 11 4.040 4.168 -0.128 1
1 124 . 14 1 1 A 11 11 MET CA C 11 58.900 57.988 0.912 1
1 125 . 14 1 1 A 11 11 MET CB C 11 31.800 32.516 -0.716 1
1 128 . 14 1 1 A 11 11 MET N N 11 118.800 116.700 2.100 1
1 129 . 14 1 1 A 12 12 LEU H H 12 8.070 8.251 -0.181 1
1 130 . 14 1 1 A 12 12 LEU HA H 12 4.870 4.129 0.741 1
1 140 . 14 1 1 A 12 12 LEU CA C 12 56.900 57.887 -0.987 1
1 141 . 14 1 1 A 12 12 LEU CB C 12 41.900 41.353 0.547 1
1 145 . 14 1 1 A 12 12 LEU N N 12 122.500 123.826 -1.326 1
1 146 . 14 1 1 A 13 13 ALA H H 13 8.150 7.735 0.415 1
1 147 . 14 1 1 A 13 13 ALA HA H 13 4.130 4.200 -0.070 1
1 151 . 14 1 1 A 13 13 ALA CA C 13 54.100 53.788 0.312 1
1 152 . 14 1 1 A 13 13 ALA CB C 13 17.700 18.332 -0.632 1
1 153 . 14 1 1 A 13 13 ALA N N 13 122.300 120.140 2.160 1
1 154 . 14 1 1 A 14 14 GLN H H 14 7.560 7.693 -0.133 1
1 155 . 14 1 1 A 14 14 GLN HA H 14 4.340 4.362 -0.022 1
1 162 . 14 1 1 A 14 14 GLN CA C 14 55.500 55.867 -0.367 1
1 163 . 14 1 1 A 14 14 GLN CB C 14 28.700 29.318 -0.618 1
1 165 . 14 1 1 A 14 14 GLN N N 14 115.100 116.135 -1.035 1
1 167 . 14 1 1 A 15 15 GLY H H 15 7.870 7.986 -0.116 1
1 168 . 14 1 1 A 15 15 GLY HA2 H 15 3.720 4.031 -0.311 1
1 169 . 14 1 1 A 15 15 GLY HA3 H 15 4.430 4.032 0.398 1
1 170 . 14 1 1 A 15 15 GLY CA C 15 45.100 45.960 -0.860 1
1 171 . 14 1 1 A 15 15 GLY N N 15 106.800 107.159 -0.359 1
1 172 . 14 1 1 A 16 16 THR H H 16 7.980 7.718 0.262 1
1 173 . 14 1 1 A 16 16 THR HA H 16 4.190 4.562 -0.372 1
1 178 . 14 1 1 A 16 16 THR CA C 16 62.600 61.523 1.077 1
1 179 . 14 1 1 A 16 16 THR CB C 16 68.800 70.218 -1.418 1
1 181 . 14 1 1 A 16 16 THR N N 16 120.800 114.920 5.880 1
1 182 . 14 1 1 A 17 17 ASP H H 17 8.110 9.216 -1.106 1
1 183 . 14 1 1 A 17 17 ASP HA H 17 4.830 5.078 -0.248 1
1 186 . 14 1 1 A 17 17 ASP CA C 17 53.300 52.922 0.378 1
1 187 . 14 1 1 A 17 17 ASP CB C 17 42.700 41.428 1.272 1
1 188 . 14 1 1 A 17 17 ASP N N 17 122.800 128.941 -6.141 1
1 189 . 14 1 1 A 18 18 ASN HA H 18 3.460 5.003 -1.543 1
1 194 . 14 1 1 A 18 18 ASN CA C 18 52.200 52.057 0.143 1
1 195 . 14 1 1 A 18 18 ASN CB C 18 39.600 41.304 -1.704 1
1 197 . 14 1 1 A 19 19 MET H H 19 8.260 8.695 -0.435 1
1 198 . 14 1 1 A 19 19 MET HA H 19 3.650 4.070 -0.420 1
1 206 . 14 1 1 A 19 19 MET CA C 19 61.100 58.231 2.869 1
1 207 . 14 1 1 A 19 19 MET CB C 19 32.900 32.491 0.409 1
1 210 . 14 1 1 A 19 19 MET N N 19 119.100 122.617 -3.517 1
1 211 . 14 1 1 A 20 20 LEU H H 20 8.350 8.277 0.073 1
1 212 . 14 1 1 A 20 20 LEU HA H 20 4.220 4.154 0.066 1
1 222 . 14 1 1 A 20 20 LEU CA C 20 57.500 58.284 -0.784 1
1 223 . 14 1 1 A 20 20 LEU CB C 20 41.200 41.522 -0.322 1
1 227 . 14 1 1 A 20 20 LEU N N 20 120.400 121.365 -0.965 1
1 228 . 14 1 1 A 21 21 LEU H H 21 8.520 8.133 0.387 1
1 229 . 14 1 1 A 21 21 LEU HA H 21 3.910 3.993 -0.083 1
1 239 . 14 1 1 A 21 21 LEU CA C 21 59.200 58.229 0.971 1
1 240 . 14 1 1 A 21 21 LEU CB C 21 42.400 41.752 0.648 1
1 244 . 14 1 1 A 21 21 LEU N N 21 125.500 120.009 5.491 1
1 245 . 14 1 1 A 22 22 ARG H H 22 7.830 8.160 -0.330 1
1 246 . 14 1 1 A 22 22 ARG HA H 22 4.230 4.044 0.186 1
1 253 . 14 1 1 A 22 22 ARG CA C 22 57.300 59.587 -2.287 1
1 254 . 14 1 1 A 22 22 ARG CB C 22 28.800 29.168 -0.368 1
1 257 . 14 1 1 A 22 22 ARG N N 22 117.200 119.874 -2.674 1
1 258 . 14 1 1 A 23 23 PHE H H 23 9.380 7.723 1.657 1
1 259 . 14 1 1 A 23 23 PHE HA H 23 3.950 4.261 -0.311 1
1 267 . 14 1 1 A 23 23 PHE CA C 23 61.500 60.029 1.471 1
1 268 . 14 1 1 A 23 23 PHE CB C 23 40.200 37.939 2.261 1
1 272 . 14 1 1 A 23 23 PHE N N 23 118.500 119.339 -0.839 1
1 273 . 14 1 1 A 24 24 THR H H 24 8.600 8.265 0.335 1
1 274 . 14 1 1 A 24 24 THR HA H 24 4.030 3.837 0.193 1
1 279 . 14 1 1 A 24 24 THR CA C 24 68.000 67.314 0.686 1
1 280 . 14 1 1 A 24 24 THR CB C 24 67.400 68.170 -0.770 1
1 282 . 14 1 1 A 24 24 THR N N 24 115.400 115.203 0.197 1
1 283 . 14 1 1 A 25 25 LEU H H 25 8.200 8.039 0.161 1
1 284 . 14 1 1 A 25 25 LEU HA H 25 3.390 3.636 -0.246 1
1 294 . 14 1 1 A 25 25 LEU CA C 25 58.200 58.044 0.156 1
1 295 . 14 1 1 A 25 25 LEU CB C 25 42.200 41.575 0.625 1
1 299 . 14 1 1 A 25 25 LEU N N 25 124.500 120.268 4.232 1
1 300 . 14 1 1 A 26 26 GLY H H 26 8.520 7.788 0.732 1
1 301 . 14 1 1 A 26 26 GLY HA2 H 26 3.910 3.786 0.124 1
1 302 . 14 1 1 A 26 26 GLY HA3 H 26 3.570 3.854 -0.284 1
1 303 . 14 1 1 A 26 26 GLY CA C 26 48.400 47.192 1.208 1
1 304 . 14 1 1 A 26 26 GLY N N 26 104.600 105.291 -0.691 1
1 305 . 14 1 1 A 27 27 LYS H H 27 8.730 8.298 0.432 1
1 306 . 14 1 1 A 27 27 LYS HA H 27 2.970 3.412 -0.442 1
1 315 . 14 1 1 A 27 27 LYS CA C 27 59.100 59.090 0.010 1
1 316 . 14 1 1 A 27 27 LYS CB C 27 31.400 31.713 -0.313 1
1 320 . 14 1 1 A 27 27 LYS N N 27 121.200 121.989 -0.789 1
1 321 . 14 1 1 A 28 28 THR H H 28 7.420 7.623 -0.203 1
1 322 . 14 1 1 A 28 28 THR HA H 28 3.680 3.836 -0.156 1
1 327 . 14 1 1 A 28 28 THR CA C 28 67.100 66.625 0.475 1
1 328 . 14 1 1 A 28 28 THR CB C 28 67.700 68.139 -0.439 1
1 330 . 14 1 1 A 28 28 THR N N 28 114.500 118.100 -3.600 1
1 331 . 14 1 1 A 29 29 TYR H H 29 8.220 7.806 0.414 1
1 332 . 14 1 1 A 29 29 TYR HA H 29 4.380 4.340 0.040 1
1 339 . 14 1 1 A 29 29 TYR CA C 29 61.400 60.296 1.104 1
1 340 . 14 1 1 A 29 29 TYR CB C 29 37.100 37.330 -0.230 1
1 343 . 14 1 1 A 29 29 TYR N N 29 120.400 120.659 -0.259 1
1 344 . 14 1 1 A 30 30 ALA H H 30 8.500 8.569 -0.069 1
1 345 . 14 1 1 A 30 30 ALA HA H 30 3.770 3.662 0.108 1
1 349 . 14 1 1 A 30 30 ALA CA C 30 56.000 55.215 0.785 1
1 350 . 14 1 1 A 30 30 ALA CB C 30 18.200 18.260 -0.060 1
1 351 . 14 1 1 A 30 30 ALA N N 30 123.300 122.855 0.445 1
1 352 . 14 1 1 A 31 31 GLU H H 31 8.940 8.306 0.634 1
1 353 . 14 1 1 A 31 31 GLU HA H 31 4.180 4.272 -0.092 1
1 358 . 14 1 1 A 31 31 GLU CA C 31 58.600 59.284 -0.684 1
1 359 . 14 1 1 A 31 31 GLU CB C 31 28.700 29.682 -0.982 1
1 361 . 14 1 1 A 31 31 GLU N N 31 120.700 119.391 1.309 1
1 362 . 14 1 1 A 32 32 HIS H H 32 7.340 7.381 -0.041 1
1 363 . 14 1 1 A 32 32 HIS HA H 32 4.740 4.576 0.164 1
1 368 . 14 1 1 A 32 32 HIS CA C 32 54.800 55.692 -0.892 1
1 369 . 14 1 1 A 32 32 HIS CB C 32 28.200 29.802 -1.602 1
1 372 . 14 1 1 A 32 32 HIS N N 32 115.300 114.431 0.869 1
1 373 . 14 1 1 A 33 33 GLU H H 33 7.830 7.818 0.012 1
1 374 . 14 1 1 A 33 33 GLU HA H 33 2.500 3.424 -0.924 1
1 379 . 14 1 1 A 33 33 GLU CA C 33 56.800 57.612 -0.812 1
1 380 . 14 1 1 A 33 33 GLU CB C 33 25.000 29.390 -4.390 1
1 382 . 14 1 1 A 33 33 GLU N N 33 112.200 117.847 -5.647 1
1 383 . 14 1 1 A 34 34 GLN H H 34 8.030 8.465 -0.435 1
1 384 . 14 1 1 A 34 34 GLN HA H 34 4.460 4.694 -0.234 1
1 391 . 14 1 1 A 34 34 GLN CA C 34 53.200 54.857 -1.657 1
1 392 . 14 1 1 A 34 34 GLN CB C 34 26.500 28.824 -2.324 1
1 394 . 14 1 1 A 34 34 GLN N N 34 121.000 118.479 2.521 1
1 396 . 14 1 1 A 35 35 PHE H H 35 7.050 7.755 -0.705 1
1 397 . 14 1 1 A 35 35 PHE HA H 35 4.180 4.338 -0.158 1
1 405 . 14 1 1 A 35 35 PHE CA C 35 60.700 60.900 -0.200 1
1 406 . 14 1 1 A 35 35 PHE CB C 35 38.200 38.463 -0.263 1
1 410 . 14 1 1 A 35 35 PHE N N 35 118.600 120.214 -1.614 1
1 411 . 14 1 1 A 36 36 ASP H H 36 8.410 8.428 -0.018 1
1 412 . 14 1 1 A 36 36 ASP HA H 36 4.200 4.378 -0.178 1
1 415 . 14 1 1 A 36 36 ASP CA C 36 56.700 57.720 -1.020 1
1 416 . 14 1 1 A 36 36 ASP CB C 36 38.800 41.829 -3.029 1
1 417 . 14 1 1 A 36 36 ASP N N 36 117.000 119.727 -2.727 1
1 418 . 14 1 1 A 37 37 ALA H H 37 7.540 7.691 -0.151 1
1 419 . 14 1 1 A 37 37 ALA HA H 37 3.860 3.963 -0.103 1
1 423 . 14 1 1 A 37 37 ALA CA C 37 52.900 54.722 -1.822 1
1 424 . 14 1 1 A 37 37 ALA CB C 37 16.300 17.917 -1.617 1
1 425 . 14 1 1 A 37 37 ALA N N 37 120.900 121.367 -0.467 1
1 426 . 14 1 1 A 38 38 ALA H H 38 7.700 7.561 0.139 1
1 427 . 14 1 1 A 38 38 ALA HA H 38 4.210 4.242 -0.032 1
1 431 . 14 1 1 A 38 38 ALA CA C 38 55.100 55.178 -0.078 1
1 432 . 14 1 1 A 38 38 ALA CB C 38 20.500 18.581 1.919 1
1 433 . 14 1 1 A 38 38 ALA N N 38 117.600 120.583 -2.983 1
1 434 . 14 1 1 A 39 39 LEU H H 39 7.430 8.043 -0.613 1
1 435 . 14 1 1 A 39 39 LEU HA H 39 4.050 4.005 0.045 1
1 445 . 14 1 1 A 39 39 LEU CA C 39 60.500 60.068 0.432 1
1 446 . 14 1 1 A 39 39 LEU CB C 39 39.200 40.159 -0.959 1
1 450 . 14 1 1 A 39 39 LEU N N 39 114.900 118.283 -3.383 1
1 451 . 14 1 1 A 40 40 PRO HA H 40 4.180 4.394 -0.214 1
1 458 . 14 1 1 A 40 40 PRO CA C 40 65.100 65.558 -0.458 1
1 459 . 14 1 1 A 40 40 PRO CB C 40 30.600 30.882 -0.282 1
1 462 . 14 1 1 A 41 41 HIS H H 41 6.570 7.613 -1.043 1
1 463 . 14 1 1 A 41 41 HIS HA H 41 4.740 4.171 0.569 1
1 468 . 14 1 1 A 41 41 HIS CA C 41 58.800 59.516 -0.716 1
1 469 . 14 1 1 A 41 41 HIS CB C 41 30.800 30.210 0.590 1
1 472 . 14 1 1 A 41 41 HIS N N 41 116.500 117.678 -1.178 1
1 473 . 14 1 1 A 42 42 LEU H H 42 8.140 8.533 -0.393 1
1 474 . 14 1 1 A 42 42 LEU HA H 42 4.120 3.710 0.410 1
1 484 . 14 1 1 A 42 42 LEU CA C 42 57.800 57.966 -0.166 1
1 485 . 14 1 1 A 42 42 LEU CB C 42 42.100 41.029 1.071 1
1 489 . 14 1 1 A 42 42 LEU N N 42 119.900 118.800 1.100 1
1 490 . 14 1 1 A 43 43 ARG H H 43 8.300 8.208 0.092 1
1 491 . 14 1 1 A 43 43 ARG HA H 43 3.740 4.103 -0.363 1
1 498 . 14 1 1 A 43 43 ARG CA C 43 59.700 59.393 0.307 1
1 499 . 14 1 1 A 43 43 ARG CB C 43 28.300 30.056 -1.756 1
1 502 . 14 1 1 A 43 43 ARG N N 43 116.400 120.333 -3.933 1
1 503 . 14 1 1 A 44 44 ALA H H 44 7.850 7.898 -0.048 1
1 504 . 14 1 1 A 44 44 ALA HA H 44 4.060 4.040 0.020 1
1 508 . 14 1 1 A 44 44 ALA CA C 44 54.600 54.957 -0.357 1
1 509 . 14 1 1 A 44 44 ALA CB C 44 17.000 17.871 -0.871 1
1 510 . 14 1 1 A 44 44 ALA N N 44 121.000 119.880 1.120 1
1 511 . 14 1 1 A 45 45 ALA H H 45 8.440 7.449 0.991 1
1 512 . 14 1 1 A 45 45 ALA HA H 45 4.270 4.132 0.138 1
1 516 . 14 1 1 A 45 45 ALA CA C 45 56.200 54.880 1.320 1
1 517 . 14 1 1 A 45 45 ALA CB C 45 17.000 17.799 -0.799 1
1 518 . 14 1 1 A 45 45 ALA N N 45 121.200 120.848 0.352 1
1 519 . 14 1 1 A 46 46 LEU H H 46 7.310 8.618 -1.308 1
1 520 . 14 1 1 A 46 46 LEU HA H 46 4.010 4.231 -0.221 1
1 530 . 14 1 1 A 46 46 LEU CA C 46 55.900 57.908 -2.008 1
1 531 . 14 1 1 A 46 46 LEU CB C 46 42.200 41.349 0.851 1
1 535 . 14 1 1 A 46 46 LEU N N 46 116.800 118.757 -1.957 1
1 536 . 14 1 1 A 47 47 ASP H H 47 7.590 8.282 -0.692 1
1 537 . 14 1 1 A 47 47 ASP HA H 47 4.440 4.246 0.194 1
1 540 . 14 1 1 A 47 47 ASP CA C 47 55.500 57.228 -1.728 1
1 541 . 14 1 1 A 47 47 ASP CB C 47 39.200 41.247 -2.047 1
1 542 . 14 1 1 A 47 47 ASP N N 47 118.900 119.781 -0.881 1
1 543 . 14 1 1 A 48 48 PHE H H 48 7.490 7.372 0.118 1
1 544 . 14 1 1 A 48 48 PHE HA H 48 4.450 4.331 0.119 1
1 552 . 14 1 1 A 48 48 PHE CA C 48 61.200 59.860 1.340 1
1 553 . 14 1 1 A 48 48 PHE CB C 48 39.600 39.706 -0.106 1
1 557 . 14 1 1 A 48 48 PHE N N 48 117.200 115.961 1.239 1
1 558 . 14 1 1 A 49 49 ASP H H 49 7.790 8.048 -0.258 1
1 559 . 14 1 1 A 49 49 ASP HA H 49 4.980 5.090 -0.110 1
1 562 . 14 1 1 A 49 49 ASP CA C 49 51.000 51.824 -0.824 1
1 563 . 14 1 1 A 49 49 ASP CB C 49 41.800 41.570 0.230 1
1 564 . 14 1 1 A 49 49 ASP N N 49 113.500 117.452 -3.952 1
1 565 . 14 1 1 A 50 50 PRO HA H 50 4.780 4.673 0.107 1
1 572 . 14 1 1 A 50 50 PRO CA C 50 64.000 64.211 -0.211 1
1 573 . 14 1 1 A 50 50 PRO CB C 50 32.000 32.056 -0.056 1
1 576 . 14 1 1 A 51 51 THR H H 51 8.640 7.526 1.114 1
1 577 . 14 1 1 A 51 51 THR HA H 51 4.620 4.534 0.086 1
1 582 . 14 1 1 A 51 51 THR CA C 51 60.900 64.112 -3.212 1
1 583 . 14 1 1 A 51 51 THR CB C 51 68.600 68.294 0.306 1
1 585 . 14 1 1 A 51 51 THR N N 51 111.900 111.961 -0.061 1
1 586 . 14 1 1 A 52 52 TYR H H 52 7.350 7.924 -0.574 1
1 587 . 14 1 1 A 52 52 TYR HA H 52 4.820 4.381 0.439 1
1 594 . 14 1 1 A 52 52 TYR CA C 52 56.100 56.131 -0.031 1
1 595 . 14 1 1 A 52 52 TYR CB C 52 35.900 37.675 -1.775 1
1 598 . 14 1 1 A 52 52 TYR N N 52 122.600 124.831 -2.231 1
1 599 . 14 1 1 A 53 53 SER H H 53 8.480 7.780 0.700 1
1 600 . 14 1 1 A 53 53 SER HA H 53 4.170 1.652 2.518 1
1 603 . 14 1 1 A 53 53 SER CA C 53 62.900 60.119 2.781 1
1 604 . 14 1 1 A 53 53 SER CB C 53 62.900 61.648 1.252 1
1 605 . 14 1 1 A 53 53 SER N N 53 127.100 122.984 4.116 1
1 606 . 14 1 1 A 54 54 VAL H H 54 7.860 7.436 0.424 1
1 607 . 14 1 1 A 54 54 VAL HA H 54 3.850 3.521 0.329 1
1 615 . 14 1 1 A 54 54 VAL CA C 54 65.500 66.370 -0.870 1
1 616 . 14 1 1 A 54 54 VAL CB C 54 31.200 31.285 -0.085 1
1 619 . 14 1 1 A 54 54 VAL N N 54 116.800 122.339 -5.539 1
1 620 . 14 1 1 A 55 55 ALA H H 55 7.120 7.913 -0.793 1
1 621 . 14 1 1 A 55 55 ALA HA H 55 4.490 4.374 0.116 1
1 625 . 14 1 1 A 55 55 ALA CA C 55 55.700 55.120 0.580 1
1 626 . 14 1 1 A 55 55 ALA CB C 55 16.700 18.230 -1.530 1
1 627 . 14 1 1 A 55 55 ALA N N 55 123.000 121.277 1.723 1
1 628 . 14 1 1 A 56 56 TRP H H 56 7.340 7.894 -0.554 1
1 629 . 14 1 1 A 56 56 TRP HA H 56 4.160 4.572 -0.412 1
1 638 . 14 1 1 A 56 56 TRP CA C 56 60.700 59.938 0.762 1
1 639 . 14 1 1 A 56 56 TRP CB C 56 30.100 29.036 1.064 1
1 645 . 14 1 1 A 56 56 TRP N N 56 119.300 118.291 1.009 1
1 647 . 14 1 1 A 57 57 LYS H H 57 8.330 8.240 0.090 1
1 648 . 14 1 1 A 57 57 LYS HA H 57 3.970 4.199 -0.229 1
1 657 . 14 1 1 A 57 57 LYS CA C 57 59.300 59.217 0.083 1
1 658 . 14 1 1 A 57 57 LYS CB C 57 34.400 31.937 2.463 1
1 662 . 14 1 1 A 57 57 LYS N N 57 117.700 120.257 -2.557 1
1 663 . 14 1 1 A 58 58 TRP H H 58 8.170 7.758 0.412 1
1 664 . 14 1 1 A 58 58 TRP HA H 58 4.230 4.655 -0.425 1
1 673 . 14 1 1 A 58 58 TRP CA C 58 61.600 60.062 1.538 1
1 674 . 14 1 1 A 58 58 TRP CB C 58 29.000 29.729 -0.729 1
1 680 . 14 1 1 A 58 58 TRP N N 58 119.100 120.323 -1.223 1
1 682 . 14 1 1 A 59 59 LEU H H 59 9.500 8.867 0.633 1
1 683 . 14 1 1 A 59 59 LEU HA H 59 4.090 4.238 -0.148 1
1 693 . 14 1 1 A 59 59 LEU CA C 59 58.500 58.080 0.420 1
1 694 . 14 1 1 A 59 59 LEU CB C 59 41.300 41.965 -0.665 1
1 698 . 14 1 1 A 59 59 LEU N N 59 127.300 121.470 5.830 1
1 699 . 14 1 1 A 60 60 GLY H H 60 8.480 8.005 0.475 1
1 700 . 14 1 1 A 60 60 GLY HA2 H 60 3.050 3.160 -0.110 1
1 701 . 14 1 1 A 60 60 GLY HA3 H 60 2.250 3.284 -1.034 1
1 702 . 14 1 1 A 60 60 GLY CA C 60 47.500 46.908 0.592 1
1 703 . 14 1 1 A 60 60 GLY N N 60 105.100 106.334 -1.234 1
1 704 . 14 1 1 A 61 61 LYS H H 61 7.680 7.566 0.114 1
1 705 . 14 1 1 A 61 61 LYS HA H 61 3.890 3.885 0.005 1
1 714 . 14 1 1 A 61 61 LYS CA C 61 59.300 59.437 -0.137 1
1 715 . 14 1 1 A 61 61 LYS CB C 61 32.000 32.291 -0.291 1
1 719 . 14 1 1 A 61 61 LYS N N 61 118.600 122.366 -3.766 1
1 720 . 14 1 1 A 62 62 THR H H 62 8.030 8.236 -0.206 1
1 721 . 14 1 1 A 62 62 THR HA H 62 3.780 4.325 -0.545 1
1 726 . 14 1 1 A 62 62 THR CA C 62 67.400 65.790 1.610 1
1 727 . 14 1 1 A 62 62 THR CB C 62 66.300 68.625 -2.325 1
1 729 . 14 1 1 A 62 62 THR N N 62 120.100 114.085 6.015 1
1 730 . 14 1 1 A 63 63 LEU H H 63 8.090 8.074 0.016 1
1 731 . 14 1 1 A 63 63 LEU HA H 63 4.080 3.878 0.202 1
1 741 . 14 1 1 A 63 63 LEU CA C 63 57.800 57.670 0.130 1
1 742 . 14 1 1 A 63 63 LEU CB C 63 40.800 41.020 -0.220 1
1 746 . 14 1 1 A 63 63 LEU N N 63 121.400 122.667 -1.267 1
1 747 . 14 1 1 A 64 64 GLN H H 64 8.300 7.546 0.754 1
1 748 . 14 1 1 A 64 64 GLN HA H 64 3.400 4.130 -0.730 1
1 755 . 14 1 1 A 64 64 GLN CA C 64 59.300 58.735 0.565 1
1 756 . 14 1 1 A 64 64 GLN CB C 64 28.100 27.638 0.462 1
1 758 . 14 1 1 A 64 64 GLN N N 64 119.500 118.617 0.883 1
1 760 . 14 1 1 A 65 65 GLY H H 65 7.720 7.729 -0.009 1
1 761 . 14 1 1 A 65 65 GLY HA2 H 65 2.300 3.101 -0.801 1
1 762 . 14 1 1 A 65 65 GLY HA3 H 65 3.430 3.667 -0.237 1
1 763 . 14 1 1 A 65 65 GLY CA C 65 46.000 45.828 0.172 1
1 764 . 14 1 1 A 65 65 GLY N N 65 110.300 107.040 3.260 1
1 765 . 14 1 1 A 66 66 GLN H H 66 7.250 8.162 -0.912 1
1 766 . 14 1 1 A 66 66 GLN HA H 66 4.270 3.964 0.306 1
1 773 . 14 1 1 A 66 66 GLN CA C 66 55.900 57.124 -1.224 1
1 774 . 14 1 1 A 66 66 GLN CB C 66 30.000 28.499 1.501 1
1 776 . 14 1 1 A 66 66 GLN N N 66 117.500 118.694 -1.194 1
1 778 . 14 1 1 A 67 67 GLY H H 67 7.800 8.051 -0.251 1
1 779 . 14 1 1 A 67 67 GLY HA2 H 67 4.230 4.119 0.111 1
1 780 . 14 1 1 A 67 67 GLY HA3 H 67 3.660 4.130 -0.470 1
1 781 . 14 1 1 A 67 67 GLY CA C 67 44.800 45.618 -0.818 1
1 782 . 14 1 1 A 67 67 GLY N N 67 107.400 106.765 0.635 1
1 783 . 14 1 1 A 68 68 ASP H H 68 8.100 8.473 -0.373 1
1 784 . 14 1 1 A 68 68 ASP HA H 68 4.780 4.641 0.139 1
1 787 . 14 1 1 A 68 68 ASP CA C 68 51.100 52.910 -1.810 1
1 788 . 14 1 1 A 68 68 ASP CB C 68 38.800 40.375 -1.575 1
1 789 . 14 1 1 A 68 68 ASP N N 68 121.600 120.737 0.863 1
1 790 . 14 1 1 A 69 69 ARG H H 69 7.770 8.672 -0.902 1
1 791 . 14 1 1 A 69 69 ARG HA H 69 3.650 4.017 -0.367 1
1 798 . 14 1 1 A 69 69 ARG CA C 69 59.800 58.862 0.938 1
1 799 . 14 1 1 A 69 69 ARG CB C 69 28.700 29.900 -1.200 1
1 802 . 14 1 1 A 69 69 ARG N N 69 123.700 126.109 -2.409 1
1 803 . 14 1 1 A 70 70 ALA H H 70 8.490 8.103 0.387 1
1 804 . 14 1 1 A 70 70 ALA HA H 70 4.040 4.034 0.006 1
1 808 . 14 1 1 A 70 70 ALA CA C 70 54.700 54.867 -0.167 1
1 809 . 14 1 1 A 70 70 ALA CB C 70 17.800 18.743 -0.943 1
1 810 . 14 1 1 A 70 70 ALA N N 70 122.400 122.801 -0.401 1
1 811 . 14 1 1 A 71 71 GLY H H 71 8.540 8.692 -0.152 1
1 812 . 14 1 1 A 71 71 GLY HA2 H 71 3.570 3.695 -0.125 1
1 813 . 14 1 1 A 71 71 GLY HA3 H 71 3.710 3.719 -0.009 1
1 814 . 14 1 1 A 71 71 GLY CA C 71 47.100 46.740 0.360 1
1 815 . 14 1 1 A 71 71 GLY N N 71 109.100 107.271 1.829 1
1 816 . 14 1 1 A 72 72 ALA H H 72 8.060 7.504 0.556 1
1 817 . 14 1 1 A 72 72 ALA HA H 72 3.310 3.214 0.096 1
1 821 . 14 1 1 A 72 72 ALA CA C 72 55.200 54.512 0.688 1
1 822 . 14 1 1 A 72 72 ALA CB C 72 17.200 18.024 -0.824 1
1 823 . 14 1 1 A 72 72 ALA N N 72 126.600 124.563 2.037 1
1 824 . 14 1 1 A 73 73 ARG H H 73 7.840 8.092 -0.252 1
1 825 . 14 1 1 A 73 73 ARG HA H 73 3.760 4.110 -0.350 1
1 832 . 14 1 1 A 73 73 ARG CA C 73 59.700 59.873 -0.173 1
1 833 . 14 1 1 A 73 73 ARG CB C 73 29.800 29.894 -0.094 1
1 836 . 14 1 1 A 73 73 ARG N N 73 116.300 118.394 -2.094 1
1 837 . 14 1 1 A 74 74 GLN H H 74 7.690 8.127 -0.437 1
1 838 . 14 1 1 A 74 74 GLN HA H 74 3.970 4.060 -0.090 1
1 845 . 14 1 1 A 74 74 GLN CA C 74 58.800 58.821 -0.021 1
1 846 . 14 1 1 A 74 74 GLN CB C 74 28.400 28.476 -0.076 1
1 848 . 14 1 1 A 74 74 GLN N N 74 116.500 118.041 -1.541 1
1 850 . 14 1 1 A 75 75 ALA H H 75 8.160 7.450 0.710 1
1 851 . 14 1 1 A 75 75 ALA HA H 75 4.350 4.079 0.271 1
1 855 . 14 1 1 A 75 75 ALA CA C 75 54.400 55.086 -0.686 1
1 856 . 14 1 1 A 75 75 ALA CB C 75 17.600 17.865 -0.265 1
1 857 . 14 1 1 A 75 75 ALA N N 75 121.900 121.553 0.347 1
1 858 . 14 1 1 A 76 76 TRP H H 76 8.640 8.322 0.318 1
1 859 . 14 1 1 A 76 76 TRP HA H 76 4.640 4.479 0.161 1
1 868 . 14 1 1 A 76 76 TRP CA C 76 58.200 60.186 -1.986 1
1 869 . 14 1 1 A 76 76 TRP CB C 76 27.600 29.613 -2.013 1
1 875 . 14 1 1 A 76 76 TRP N N 76 118.400 118.622 -0.222 1
1 877 . 14 1 1 A 77 77 GLU H H 77 9.050 8.455 0.595 1
1 878 . 14 1 1 A 77 77 GLU HA H 77 4.010 3.997 0.013 1
1 883 . 14 1 1 A 77 77 GLU CA C 77 58.900 59.865 -0.965 1
1 884 . 14 1 1 A 77 77 GLU CB C 77 28.100 29.497 -1.397 1
1 886 . 14 1 1 A 77 77 GLU N N 77 121.000 119.965 1.035 1
1 887 . 14 1 1 A 78 78 SER H H 78 8.280 7.445 0.835 1
1 888 . 14 1 1 A 78 78 SER HA H 78 3.800 4.171 -0.371 1
1 891 . 14 1 1 A 78 78 SER CA C 78 62.400 60.971 1.429 1
1 892 . 14 1 1 A 78 78 SER CB C 78 68.000 62.784 5.216 1
1 893 . 14 1 1 A 78 78 SER N N 78 120.000 115.762 4.238 1
1 894 . 14 1 1 A 79 79 GLY H H 79 8.580 8.560 0.020 1
1 895 . 14 1 1 A 79 79 GLY HA2 H 79 3.470 3.505 -0.035 1
1 896 . 14 1 1 A 79 79 GLY HA3 H 79 3.580 3.852 -0.272 1
1 897 . 14 1 1 A 79 79 GLY CA C 79 47.000 47.243 -0.243 1
1 898 . 14 1 1 A 79 79 GLY N N 79 111.000 108.803 2.197 1
1 899 . 14 1 1 A 80 80 LEU H H 80 8.640 8.490 0.150 1
1 900 . 14 1 1 A 80 80 LEU HA H 80 3.830 4.147 -0.317 1
1 910 . 14 1 1 A 80 80 LEU CA C 80 58.200 57.422 0.778 1
1 911 . 14 1 1 A 80 80 LEU CB C 80 41.800 41.633 0.167 1
1 915 . 14 1 1 A 80 80 LEU N N 80 125.600 123.056 2.544 1
1 916 . 14 1 1 A 81 81 ALA H H 81 7.400 8.066 -0.666 1
1 917 . 14 1 1 A 81 81 ALA HA H 81 4.140 3.934 0.206 1
1 921 . 14 1 1 A 81 81 ALA CA C 81 54.600 55.199 -0.599 1
1 922 . 14 1 1 A 81 81 ALA CB C 81 17.500 18.022 -0.522 1
1 923 . 14 1 1 A 81 81 ALA N N 81 120.400 120.737 -0.337 1
1 924 . 14 1 1 A 82 82 ALA H H 82 7.640 7.838 -0.198 1
1 925 . 14 1 1 A 82 82 ALA HA H 82 4.160 3.845 0.315 1
1 929 . 14 1 1 A 82 82 ALA CA C 82 54.700 54.718 -0.018 1
1 930 . 14 1 1 A 82 82 ALA CB C 82 17.200 17.776 -0.576 1
1 931 . 14 1 1 A 82 82 ALA N N 82 120.900 120.005 0.895 1
1 932 . 14 1 1 A 83 83 ALA H H 83 8.910 7.845 1.065 1
1 933 . 14 1 1 A 83 83 ALA HA H 83 4.260 4.314 -0.054 1
1 937 . 14 1 1 A 83 83 ALA CA C 83 54.900 55.172 -0.272 1
1 938 . 14 1 1 A 83 83 ALA CB C 83 18.600 18.416 0.184 1
1 939 . 14 1 1 A 83 83 ALA N N 83 122.000 120.657 1.343 1
1 940 . 14 1 1 A 84 84 GLN H H 84 8.770 8.481 0.289 1
1 941 . 14 1 1 A 84 84 GLN HA H 84 3.940 4.071 -0.131 1
1 948 . 14 1 1 A 84 84 GLN CA C 84 58.800 59.094 -0.294 1
1 949 . 14 1 1 A 84 84 GLN CB C 84 28.200 28.423 -0.223 1
1 951 . 14 1 1 A 84 84 GLN N N 84 118.400 118.732 -0.332 1
1 953 . 14 1 1 A 85 85 SER H H 85 7.920 8.217 -0.297 1
1 954 . 14 1 1 A 85 85 SER HA H 85 4.250 4.136 0.114 1
1 957 . 14 1 1 A 85 85 SER CA C 85 61.200 61.465 -0.265 1
1 958 . 14 1 1 A 85 85 SER CB C 85 62.700 63.023 -0.323 1
1 959 . 14 1 1 A 85 85 SER N N 85 115.200 115.415 -0.215 1
1 960 . 14 1 1 A 86 86 ARG H H 86 7.590 7.773 -0.183 1
1 961 . 14 1 1 A 86 86 ARG HA H 86 4.380 4.395 -0.015 1
1 968 . 14 1 1 A 86 86 ARG CA C 86 55.800 56.054 -0.254 1
1 969 . 14 1 1 A 86 86 ARG CB C 86 31.200 30.792 0.408 1
1 972 . 14 1 1 A 86 86 ARG N N 86 117.800 117.328 0.472 1
1 973 . 14 1 1 A 87 87 GLY H H 87 7.790 7.882 -0.092 1
1 974 . 14 1 1 A 87 87 GLY HA2 H 87 3.870 3.935 -0.065 1
1 975 . 14 1 1 A 87 87 GLY HA3 H 87 4.080 3.935 0.145 1
1 976 . 14 1 1 A 87 87 GLY CA C 87 46.100 46.692 -0.592 1
1 977 . 14 1 1 A 87 87 GLY N N 87 109.100 109.343 -0.243 1
1 978 . 14 1 1 A 88 88 ASP H H 88 8.210 8.196 0.014 1
1 979 . 14 1 1 A 88 88 ASP HA H 88 4.830 4.872 -0.042 1
1 982 . 14 1 1 A 88 88 ASP CA C 88 52.100 52.610 -0.510 1
1 983 . 14 1 1 A 88 88 ASP CB C 88 39.000 39.402 -0.402 1
1 984 . 14 1 1 A 88 88 ASP N N 88 120.200 121.014 -0.814 1
1 985 . 14 1 1 A 89 89 GLN H H 89 8.110 8.122 -0.012 1
1 986 . 14 1 1 A 89 89 GLN HA H 89 3.840 4.015 -0.175 1
1 993 . 14 1 1 A 89 89 GLN CA C 89 58.500 59.091 -0.591 1
1 994 . 14 1 1 A 89 89 GLN CB C 89 28.000 28.450 -0.450 1
1 996 . 14 1 1 A 89 89 GLN N N 89 122.400 123.274 -0.874 1
1 998 . 14 1 1 A 90 90 GLN H H 90 8.720 7.874 0.846 1
1 999 . 14 1 1 A 90 90 GLN HA H 90 4.000 4.049 -0.049 1
1 1006 . 14 1 1 A 90 90 GLN CA C 90 58.800 58.678 0.122 1
1 1007 . 14 1 1 A 90 90 GLN CB C 90 27.800 28.334 -0.534 1
1 1009 . 14 1 1 A 90 90 GLN N N 90 119.100 120.014 -0.914 1
1 1011 . 14 1 1 A 91 91 VAL H H 91 7.170 7.602 -0.432 1
1 1012 . 14 1 1 A 91 91 VAL HA H 91 3.660 3.663 -0.003 1
1 1020 . 14 1 1 A 91 91 VAL CA C 91 65.500 66.280 -0.780 1
1 1021 . 14 1 1 A 91 91 VAL CB C 91 31.300 31.669 -0.369 1
1 1024 . 14 1 1 A 91 91 VAL N N 91 119.900 119.426 0.474 1
1 1025 . 14 1 1 A 92 92 VAL H H 92 7.880 7.904 -0.024 1
1 1026 . 14 1 1 A 92 92 VAL HA H 92 3.240 3.566 -0.326 1
1 1034 . 14 1 1 A 92 92 VAL CA C 92 67.300 66.974 0.326 1
1 1035 . 14 1 1 A 92 92 VAL CB C 92 31.500 31.417 0.083 1
1 1038 . 14 1 1 A 92 92 VAL N N 92 119.900 120.689 -0.789 1
1 1039 . 14 1 1 A 93 93 LYS H H 93 7.480 8.069 -0.589 1
1 1040 . 14 1 1 A 93 93 LYS HA H 93 3.920 3.871 0.049 1
1 1049 . 14 1 1 A 93 93 LYS CA C 93 59.300 60.296 -0.996 1
1 1050 . 14 1 1 A 93 93 LYS CB C 93 31.900 32.112 -0.212 1
1 1054 . 14 1 1 A 93 93 LYS N N 93 116.000 118.469 -2.469 1
1 1055 . 14 1 1 A 94 94 GLU H H 94 7.480 7.916 -0.436 1
1 1056 . 14 1 1 A 94 94 GLU HA H 94 3.580 3.990 -0.410 1
1 1061 . 14 1 1 A 94 94 GLU CA C 94 58.600 59.011 -0.411 1
1 1062 . 14 1 1 A 94 94 GLU CB C 94 29.500 29.323 0.177 1
1 1064 . 14 1 1 A 94 94 GLU N N 94 117.500 120.570 -3.070 1
1 1065 . 14 1 1 A 95 95 LEU H H 95 8.370 8.346 0.024 1
1 1066 . 14 1 1 A 95 95 LEU HA H 95 3.530 4.153 -0.623 1
1 1076 . 14 1 1 A 95 95 LEU CA C 95 57.600 57.578 0.022 1
1 1077 . 14 1 1 A 95 95 LEU CB C 95 40.900 41.121 -0.221 1
1 1081 . 14 1 1 A 95 95 LEU N N 95 117.500 120.180 -2.680 1
1 1082 . 14 1 1 A 96 96 GLN H H 96 8.330 8.470 -0.140 1
1 1083 . 14 1 1 A 96 96 GLN HA H 96 3.980 3.848 0.132 1
1 1090 . 14 1 1 A 96 96 GLN CA C 96 58.900 59.442 -0.542 1
1 1091 . 14 1 1 A 96 96 GLN CB C 96 28.100 28.006 0.094 1
1 1093 . 14 1 1 A 96 96 GLN N N 96 117.600 119.846 -2.246 1
1 1095 . 14 1 1 A 97 97 VAL H H 97 7.450 7.802 -0.352 1
1 1096 . 14 1 1 A 97 97 VAL HA H 97 3.450 3.465 -0.015 1
1 1104 . 14 1 1 A 97 97 VAL CA C 97 66.700 66.041 0.659 1
1 1105 . 14 1 1 A 97 97 VAL CB C 97 31.000 31.137 -0.137 1
1 1108 . 14 1 1 A 97 97 VAL N N 97 120.300 118.890 1.410 1
1 1109 . 14 1 1 A 98 98 PHE H H 98 7.460 7.374 0.086 1
1 1110 . 14 1 1 A 98 98 PHE HA H 98 3.980 3.970 0.010 1
1 1118 . 14 1 1 A 98 98 PHE CA C 98 58.700 60.567 -1.867 1
1 1119 . 14 1 1 A 98 98 PHE CB C 98 35.500 37.795 -2.295 1
1 1123 . 14 1 1 A 98 98 PHE N N 98 119.100 118.380 0.720 1
1 1124 . 14 1 1 A 99 99 LEU H H 99 8.330 7.768 0.562 1
1 1125 . 14 1 1 A 99 99 LEU HA H 99 4.090 3.934 0.156 1
1 1135 . 14 1 1 A 99 99 LEU CA C 99 57.800 57.767 0.033 1
1 1136 . 14 1 1 A 99 99 LEU CB C 99 41.800 41.366 0.434 1
1 1140 . 14 1 1 A 99 99 LEU N N 99 119.300 119.485 -0.185 1
1 1141 . 14 1 1 A 100 100 ARG H H 100 8.350 8.142 0.208 1
1 1142 . 14 1 1 A 100 100 ARG HA H 100 4.110 3.994 0.116 1
1 1149 . 14 1 1 A 100 100 ARG CA C 100 59.300 59.466 -0.166 1
1 1150 . 14 1 1 A 100 100 ARG CB C 100 29.900 30.240 -0.340 1
1 1153 . 14 1 1 A 100 100 ARG N N 100 121.900 119.694 2.206 1
1 1154 . 14 1 1 A 101 101 ARG H H 101 8.110 7.892 0.218 1
1 1155 . 14 1 1 A 101 101 ARG HA H 101 4.020 4.021 -0.001 1
1 1162 . 14 1 1 A 101 101 ARG CA C 101 57.600 58.633 -1.033 1
1 1163 . 14 1 1 A 101 101 ARG CB C 101 30.200 30.145 0.055 1
1 1166 . 14 1 1 A 101 101 ARG N N 101 120.500 119.801 0.699 1
1 1167 . 14 1 1 A 102 102 LEU H H 102 7.890 8.311 -0.421 1
1 1168 . 14 1 1 A 102 102 LEU HA H 102 4.150 4.108 0.042 1
1 1178 . 14 1 1 A 102 102 LEU CA C 102 57.600 57.816 -0.216 1
1 1179 . 14 1 1 A 102 102 LEU CB C 102 42.300 41.342 0.958 1
1 1183 . 14 1 1 A 102 102 LEU N N 102 119.900 121.158 -1.258 1
1 1184 . 14 1 1 A 103 103 ALA H H 103 7.880 7.932 -0.052 1
1 1185 . 14 1 1 A 103 103 ALA HA H 103 4.170 3.958 0.212 1
1 1189 . 14 1 1 A 103 103 ALA CA C 103 54.700 54.731 -0.031 1
1 1190 . 14 1 1 A 103 103 ALA CB C 103 17.800 17.806 -0.006 1
1 1191 . 14 1 1 A 103 103 ALA N N 103 120.000 120.431 -0.431 1
1 1192 . 14 1 1 A 104 104 ARG H H 104 8.060 7.560 0.500 1
1 1193 . 14 1 1 A 104 104 ARG HA H 104 4.130 4.013 0.117 1
1 1200 . 14 1 1 A 104 104 ARG CA C 104 58.500 59.703 -1.203 1
1 1201 . 14 1 1 A 104 104 ARG CB C 104 29.800 29.988 -0.188 1
1 1204 . 14 1 1 A 104 104 ARG N N 104 119.800 117.415 2.385 1
1 1205 . 14 1 1 A 105 105 GLU H H 105 8.050 8.072 -0.022 1
1 1206 . 14 1 1 A 105 105 GLU HA H 105 4.020 4.127 -0.107 1
1 1211 . 14 1 1 A 105 105 GLU CA C 105 58.500 59.219 -0.719 1
1 1212 . 14 1 1 A 105 105 GLU CB C 105 28.900 29.623 -0.723 1
1 1214 . 14 1 1 A 105 105 GLU N N 105 119.700 120.151 -0.451 1
1 1215 . 14 1 1 A 106 106 ASP H H 106 8.360 8.843 -0.483 1
1 1216 . 14 1 1 A 106 106 ASP HA H 106 4.380 4.437 -0.057 1
1 1219 . 14 1 1 A 106 106 ASP CA C 106 56.500 57.926 -1.426 1
1 1220 . 14 1 1 A 106 106 ASP CB C 106 40.500 42.076 -1.576 1
1 1221 . 14 1 1 A 106 106 ASP N N 106 119.800 119.871 -0.071 1
1 1222 . 14 1 1 A 107 107 ALA H H 107 7.910 7.865 0.045 1
1 1223 . 14 1 1 A 107 107 ALA HA H 107 4.150 4.187 -0.037 1
1 1227 . 14 1 1 A 107 107 ALA CA C 107 54.200 54.975 -0.775 1
1 1228 . 14 1 1 A 107 107 ALA CB C 107 18.100 18.451 -0.351 1
1 1229 . 14 1 1 A 107 107 ALA N N 107 121.900 121.836 0.064 1
1 1230 . 14 1 1 A 108 108 LEU H H 108 7.840 7.699 0.141 1
1 1231 . 14 1 1 A 108 108 LEU HA H 108 4.120 3.933 0.187 1
1 1241 . 14 1 1 A 108 108 LEU CA C 108 56.400 58.113 -1.713 1
1 1242 . 14 1 1 A 108 108 LEU CB C 108 42.000 41.369 0.631 1
1 1246 . 14 1 1 A 108 108 LEU N N 108 119.000 119.091 -0.091 1
1 1247 . 14 1 1 A 109 109 GLU H H 109 7.860 7.318 0.542 1
1 1248 . 14 1 1 A 109 109 GLU HA H 109 4.090 4.510 -0.420 1
1 1253 . 14 1 1 A 109 109 GLU CA C 109 57.000 56.320 0.680 1
1 1254 . 14 1 1 A 109 109 GLU CB C 109 29.100 29.544 -0.444 1
1 1256 . 14 1 1 A 109 109 GLU N N 109 118.600 116.739 1.861 1
1 1257 . 14 1 1 A 110 110 HIS H H 110 8.140 8.028 0.112 1
1 1258 . 14 1 1 A 110 110 HIS HA H 110 4.560 4.282 0.278 1
1 1261 . 14 1 1 A 110 110 HIS CA C 110 55.600 56.483 -0.883 1
1 1262 . 14 1 1 A 110 110 HIS CB C 110 28.300 29.664 -1.364 1
1 1263 . 14 1 1 A 110 110 HIS N N 110 117.000 116.708 0.292 1
1 1264 . 14 1 1 A 111 111 HIS H H 111 8.340 7.940 0.400 1
1 1265 . 14 1 1 A 111 111 HIS HA H 111 4.600 4.326 0.274 1
1 1268 . 14 1 1 A 111 111 HIS CA C 111 55.500 58.871 -3.371 1
1 1269 . 14 1 1 A 111 111 HIS CB C 111 28.500 30.409 -1.909 1
1 1270 . 14 1 1 A 111 111 HIS N N 111 117.800 118.875 -1.075 1
1 1271 . 14 1 1 A 112 112 HIS H H 112 8.530 8.308 0.222 1
1 1272 . 14 1 1 A 112 112 HIS HA H 112 4.620 4.114 0.506 1
1 1275 . 14 1 1 A 112 112 HIS CA C 112 55.300 56.825 -1.525 1
1 1276 . 14 1 1 A 112 112 HIS CB C 112 28.800 28.209 0.591 1
1 1277 . 14 1 1 A 112 112 HIS N N 112 119.000 116.530 2.470 1
1 1278 . 14 1 1 A 113 113 HIS H H 113 8.660 8.010 0.650 1
1 1279 . 14 1 1 A 113 113 HIS HA H 113 4.640 4.612 0.028 1
1 1282 . 14 1 1 A 113 113 HIS CA C 113 55.200 56.590 -1.390 1
1 1283 . 14 1 1 A 113 113 HIS CB C 113 28.900 32.343 -3.443 1
1 1284 . 14 1 1 A 113 113 HIS N N 113 120.000 123.954 -3.954 1
1 1285 . 14 1 1 A 114 114 HIS H H 114 8.630 8.091 0.539 1
1 1286 . 14 1 1 A 114 114 HIS HA H 114 4.610 4.022 0.588 1
1 1289 . 14 1 1 A 114 114 HIS CA C 114 55.200 56.854 -1.654 1
1 1290 . 14 1 1 A 114 114 HIS CB C 114 28.900 26.747 2.153 1
1 1291 . 14 1 1 A 114 114 HIS N N 114 120.800 116.636 4.164 1
1 9 . 15 1 1 A 2 2 GLN H H 2 8.840 9.256 -0.416 1
1 10 . 15 1 1 A 2 2 GLN HA H 2 4.310 4.650 -0.340 1
1 17 . 15 1 1 A 2 2 GLN CA C 2 55.600 55.349 0.251 1
1 18 . 15 1 1 A 2 2 GLN CB C 2 29.900 31.761 -1.861 1
1 20 . 15 1 1 A 2 2 GLN N N 2 124.000 125.674 -1.674 1
1 22 . 15 1 1 A 3 3 ALA H H 3 8.780 8.595 0.185 1
1 23 . 15 1 1 A 3 3 ALA HA H 3 4.240 4.008 0.232 1
1 27 . 15 1 1 A 3 3 ALA CA C 3 52.600 54.250 -1.650 1
1 28 . 15 1 1 A 3 3 ALA CB C 3 18.800 18.050 0.750 1
1 29 . 15 1 1 A 3 3 ALA N N 3 127.500 128.652 -1.152 1
1 30 . 15 1 1 A 4 4 ILE H H 4 8.490 8.621 -0.131 1
1 31 . 15 1 1 A 4 4 ILE HA H 4 3.820 3.806 0.014 1
1 41 . 15 1 1 A 4 4 ILE CA C 4 63.700 63.563 0.137 1
1 42 . 15 1 1 A 4 4 ILE CB C 4 37.800 37.352 0.448 1
1 46 . 15 1 1 A 4 4 ILE N N 4 120.900 120.384 0.516 1
1 47 . 15 1 1 A 5 5 THR H H 5 7.730 8.094 -0.364 1
1 48 . 15 1 1 A 5 5 THR HA H 5 3.540 3.799 -0.259 1
1 53 . 15 1 1 A 5 5 THR CA C 5 64.700 65.584 -0.884 1
1 54 . 15 1 1 A 5 5 THR CB C 5 66.700 67.997 -1.297 1
1 56 . 15 1 1 A 5 5 THR N N 5 110.700 113.841 -3.141 1
1 57 . 15 1 1 A 6 6 GLU H H 6 7.220 8.400 -1.180 1
1 58 . 15 1 1 A 6 6 GLU HA H 6 3.940 3.904 0.036 1
1 63 . 15 1 1 A 6 6 GLU CA C 6 59.200 59.509 -0.309 1
1 64 . 15 1 1 A 6 6 GLU CB C 6 28.900 29.250 -0.350 1
1 66 . 15 1 1 A 6 6 GLU N N 6 120.400 122.132 -1.732 1
1 67 . 15 1 1 A 7 7 ARG H H 7 7.930 8.020 -0.090 1
1 68 . 15 1 1 A 7 7 ARG HA H 7 3.950 4.069 -0.119 1
1 75 . 15 1 1 A 7 7 ARG CA C 7 59.100 58.847 0.253 1
1 76 . 15 1 1 A 7 7 ARG CB C 7 30.100 29.653 0.447 1
1 79 . 15 1 1 A 7 7 ARG N N 7 119.900 118.987 0.913 1
1 80 . 15 1 1 A 8 8 LEU H H 8 8.130 8.203 -0.073 1
1 81 . 15 1 1 A 8 8 LEU HA H 8 4.150 3.970 0.180 1
1 91 . 15 1 1 A 8 8 LEU CA C 8 57.800 57.928 -0.128 1
1 92 . 15 1 1 A 8 8 LEU CB C 8 41.000 41.090 -0.090 1
1 96 . 15 1 1 A 8 8 LEU N N 8 119.600 120.995 -1.395 1
1 97 . 15 1 1 A 9 9 GLU H H 9 8.530 8.623 -0.093 1
1 98 . 15 1 1 A 9 9 GLU HA H 9 4.150 3.994 0.156 1
1 103 . 15 1 1 A 9 9 GLU CA C 9 59.100 59.621 -0.521 1
1 104 . 15 1 1 A 9 9 GLU CB C 9 28.300 29.279 -0.979 1
1 106 . 15 1 1 A 9 9 GLU N N 9 118.200 119.396 -1.196 1
1 107 . 15 1 1 A 10 10 ALA H H 10 7.800 7.980 -0.180 1
1 108 . 15 1 1 A 10 10 ALA HA H 10 4.230 4.094 0.136 1
1 112 . 15 1 1 A 10 10 ALA CA C 10 55.000 55.222 -0.222 1
1 113 . 15 1 1 A 10 10 ALA CB C 10 17.200 18.017 -0.817 1
1 114 . 15 1 1 A 10 10 ALA N N 10 122.900 122.576 0.324 1
1 115 . 15 1 1 A 11 11 MET H H 11 7.700 7.876 -0.176 1
1 116 . 15 1 1 A 11 11 MET HA H 11 4.040 4.173 -0.133 1
1 124 . 15 1 1 A 11 11 MET CA C 11 58.900 58.369 0.531 1
1 125 . 15 1 1 A 11 11 MET CB C 11 31.800 33.187 -1.387 1
1 128 . 15 1 1 A 11 11 MET N N 11 118.800 116.880 1.920 1
1 129 . 15 1 1 A 12 12 LEU H H 12 8.070 8.783 -0.713 1
1 130 . 15 1 1 A 12 12 LEU HA H 12 4.870 4.003 0.867 1
1 140 . 15 1 1 A 12 12 LEU CA C 12 56.900 57.119 -0.219 1
1 141 . 15 1 1 A 12 12 LEU CB C 12 41.900 41.098 0.802 1
1 145 . 15 1 1 A 12 12 LEU N N 12 122.500 119.985 2.515 1
1 146 . 15 1 1 A 13 13 ALA H H 13 8.150 7.478 0.672 1
1 147 . 15 1 1 A 13 13 ALA HA H 13 4.130 4.228 -0.098 1
1 151 . 15 1 1 A 13 13 ALA CA C 13 54.100 53.506 0.594 1
1 152 . 15 1 1 A 13 13 ALA CB C 13 17.700 18.343 -0.643 1
1 153 . 15 1 1 A 13 13 ALA N N 13 122.300 121.260 1.040 1
1 154 . 15 1 1 A 14 14 GLN H H 14 7.560 7.548 0.012 1
1 155 . 15 1 1 A 14 14 GLN HA H 14 4.340 4.357 -0.017 1
1 162 . 15 1 1 A 14 14 GLN CA C 14 55.500 55.865 -0.365 1
1 163 . 15 1 1 A 14 14 GLN CB C 14 28.700 29.348 -0.648 1
1 165 . 15 1 1 A 14 14 GLN N N 14 115.100 116.126 -1.026 1
1 167 . 15 1 1 A 15 15 GLY H H 15 7.870 7.718 0.152 1
1 168 . 15 1 1 A 15 15 GLY HA2 H 15 3.720 3.915 -0.195 1
1 169 . 15 1 1 A 15 15 GLY HA3 H 15 4.430 3.920 0.510 1
1 170 . 15 1 1 A 15 15 GLY CA C 15 45.100 46.198 -1.098 1
1 171 . 15 1 1 A 15 15 GLY N N 15 106.800 108.371 -1.571 1
1 172 . 15 1 1 A 16 16 THR H H 16 7.980 7.894 0.086 1
1 173 . 15 1 1 A 16 16 THR HA H 16 4.190 4.355 -0.165 1
1 178 . 15 1 1 A 16 16 THR CA C 16 62.600 61.110 1.490 1
1 179 . 15 1 1 A 16 16 THR CB C 16 68.800 67.297 1.503 1
1 181 . 15 1 1 A 16 16 THR N N 16 120.800 116.006 4.794 1
1 182 . 15 1 1 A 17 17 ASP H H 17 8.110 8.634 -0.524 1
1 183 . 15 1 1 A 17 17 ASP HA H 17 4.830 4.858 -0.028 1
1 186 . 15 1 1 A 17 17 ASP CA C 17 53.300 53.832 -0.532 1
1 187 . 15 1 1 A 17 17 ASP CB C 17 42.700 41.273 1.427 1
1 188 . 15 1 1 A 17 17 ASP N N 17 122.800 126.124 -3.324 1
1 189 . 15 1 1 A 18 18 ASN HA H 18 3.460 5.033 -1.573 1
1 194 . 15 1 1 A 18 18 ASN CA C 18 52.200 52.035 0.165 1
1 195 . 15 1 1 A 18 18 ASN CB C 18 39.600 42.510 -2.910 1
1 197 . 15 1 1 A 19 19 MET H H 19 8.260 8.644 -0.384 1
1 198 . 15 1 1 A 19 19 MET HA H 19 3.650 4.305 -0.655 1
1 206 . 15 1 1 A 19 19 MET CA C 19 61.100 57.629 3.471 1
1 207 . 15 1 1 A 19 19 MET CB C 19 32.900 32.543 0.357 1
1 210 . 15 1 1 A 19 19 MET N N 19 119.100 123.086 -3.986 1
1 211 . 15 1 1 A 20 20 LEU H H 20 8.350 7.808 0.542 1
1 212 . 15 1 1 A 20 20 LEU HA H 20 4.220 4.261 -0.041 1
1 222 . 15 1 1 A 20 20 LEU CA C 20 57.500 54.925 2.575 1
1 223 . 15 1 1 A 20 20 LEU CB C 20 41.200 41.750 -0.550 1
1 227 . 15 1 1 A 20 20 LEU N N 20 120.400 118.561 1.839 1
1 228 . 15 1 1 A 21 21 LEU H H 21 8.520 7.925 0.595 1
1 229 . 15 1 1 A 21 21 LEU HA H 21 3.910 4.573 -0.663 1
1 239 . 15 1 1 A 21 21 LEU CA C 21 59.200 55.575 3.625 1
1 240 . 15 1 1 A 21 21 LEU CB C 21 42.400 44.195 -1.795 1
1 244 . 15 1 1 A 21 21 LEU N N 21 125.500 121.533 3.967 1
1 245 . 15 1 1 A 22 22 ARG H H 22 7.830 8.023 -0.193 1
1 246 . 15 1 1 A 22 22 ARG HA H 22 4.230 4.041 0.189 1
1 253 . 15 1 1 A 22 22 ARG CA C 22 57.300 58.129 -0.829 1
1 254 . 15 1 1 A 22 22 ARG CB C 22 28.800 30.023 -1.223 1
1 257 . 15 1 1 A 22 22 ARG N N 22 117.200 120.304 -3.104 1
1 258 . 15 1 1 A 23 23 PHE H H 23 9.380 8.150 1.230 1
1 259 . 15 1 1 A 23 23 PHE HA H 23 3.950 4.223 -0.273 1
1 267 . 15 1 1 A 23 23 PHE CA C 23 61.500 60.107 1.393 1
1 268 . 15 1 1 A 23 23 PHE CB C 23 40.200 37.602 2.598 1
1 272 . 15 1 1 A 23 23 PHE N N 23 118.500 117.176 1.324 1
1 273 . 15 1 1 A 24 24 THR H H 24 8.600 7.480 1.120 1
1 274 . 15 1 1 A 24 24 THR HA H 24 4.030 3.258 0.772 1
1 279 . 15 1 1 A 24 24 THR CA C 24 68.000 66.857 1.143 1
1 280 . 15 1 1 A 24 24 THR CB C 24 67.400 67.556 -0.156 1
1 282 . 15 1 1 A 24 24 THR N N 24 115.400 115.351 0.049 1
1 283 . 15 1 1 A 25 25 LEU H H 25 8.200 7.865 0.335 1
1 284 . 15 1 1 A 25 25 LEU HA H 25 3.390 3.586 -0.196 1
1 294 . 15 1 1 A 25 25 LEU CA C 25 58.200 57.915 0.285 1
1 295 . 15 1 1 A 25 25 LEU CB C 25 42.200 41.743 0.457 1
1 299 . 15 1 1 A 25 25 LEU N N 25 124.500 120.230 4.270 1
1 300 . 15 1 1 A 26 26 GLY H H 26 8.520 8.194 0.326 1
1 301 . 15 1 1 A 26 26 GLY HA2 H 26 3.910 3.753 0.157 1
1 302 . 15 1 1 A 26 26 GLY HA3 H 26 3.570 3.928 -0.358 1
1 303 . 15 1 1 A 26 26 GLY CA C 26 48.400 47.012 1.388 1
1 304 . 15 1 1 A 26 26 GLY N N 26 104.600 105.292 -0.692 1
1 305 . 15 1 1 A 27 27 LYS H H 27 8.730 7.836 0.894 1
1 306 . 15 1 1 A 27 27 LYS HA H 27 2.970 3.257 -0.287 1
1 315 . 15 1 1 A 27 27 LYS CA C 27 59.100 59.024 0.076 1
1 316 . 15 1 1 A 27 27 LYS CB C 27 31.400 31.780 -0.380 1
1 320 . 15 1 1 A 27 27 LYS N N 27 121.200 121.523 -0.323 1
1 321 . 15 1 1 A 28 28 THR H H 28 7.420 7.210 0.210 1
1 322 . 15 1 1 A 28 28 THR HA H 28 3.680 3.814 -0.134 1
1 327 . 15 1 1 A 28 28 THR CA C 28 67.100 66.444 0.656 1
1 328 . 15 1 1 A 28 28 THR CB C 28 67.700 68.186 -0.486 1
1 330 . 15 1 1 A 28 28 THR N N 28 114.500 118.271 -3.771 1
1 331 . 15 1 1 A 29 29 TYR H H 29 8.220 7.425 0.795 1
1 332 . 15 1 1 A 29 29 TYR HA H 29 4.380 4.370 0.010 1
1 339 . 15 1 1 A 29 29 TYR CA C 29 61.400 59.734 1.666 1
1 340 . 15 1 1 A 29 29 TYR CB C 29 37.100 37.261 -0.161 1
1 343 . 15 1 1 A 29 29 TYR N N 29 120.400 120.665 -0.265 1
1 344 . 15 1 1 A 30 30 ALA H H 30 8.500 7.934 0.566 1
1 345 . 15 1 1 A 30 30 ALA HA H 30 3.770 3.483 0.287 1
1 349 . 15 1 1 A 30 30 ALA CA C 30 56.000 55.027 0.973 1
1 350 . 15 1 1 A 30 30 ALA CB C 30 18.200 18.504 -0.304 1
1 351 . 15 1 1 A 30 30 ALA N N 30 123.300 122.824 0.476 1
1 352 . 15 1 1 A 31 31 GLU H H 31 8.940 8.155 0.785 1
1 353 . 15 1 1 A 31 31 GLU HA H 31 4.180 4.220 -0.040 1
1 358 . 15 1 1 A 31 31 GLU CA C 31 58.600 58.766 -0.166 1
1 359 . 15 1 1 A 31 31 GLU CB C 31 28.700 29.279 -0.579 1
1 361 . 15 1 1 A 31 31 GLU N N 31 120.700 119.472 1.228 1
1 362 . 15 1 1 A 32 32 HIS H H 32 7.340 7.584 -0.244 1
1 363 . 15 1 1 A 32 32 HIS HA H 32 4.740 4.658 0.082 1
1 368 . 15 1 1 A 32 32 HIS CA C 32 54.800 55.826 -1.026 1
1 369 . 15 1 1 A 32 32 HIS CB C 32 28.200 29.498 -1.298 1
1 372 . 15 1 1 A 32 32 HIS N N 32 115.300 120.274 -4.974 1
1 373 . 15 1 1 A 33 33 GLU H H 33 7.830 7.739 0.091 1
1 374 . 15 1 1 A 33 33 GLU HA H 33 2.500 3.540 -1.040 1
1 379 . 15 1 1 A 33 33 GLU CA C 33 56.800 57.614 -0.814 1
1 380 . 15 1 1 A 33 33 GLU CB C 33 25.000 29.325 -4.325 1
1 382 . 15 1 1 A 33 33 GLU N N 33 112.200 118.848 -6.648 1
1 383 . 15 1 1 A 34 34 GLN H H 34 8.030 8.015 0.015 1
1 384 . 15 1 1 A 34 34 GLN HA H 34 4.460 4.509 -0.049 1
1 391 . 15 1 1 A 34 34 GLN CA C 34 53.200 54.270 -1.070 1
1 392 . 15 1 1 A 34 34 GLN CB C 34 26.500 28.934 -2.434 1
1 394 . 15 1 1 A 34 34 GLN N N 34 121.000 118.743 2.257 1
1 396 . 15 1 1 A 35 35 PHE H H 35 7.050 7.780 -0.730 1
1 397 . 15 1 1 A 35 35 PHE HA H 35 4.180 4.226 -0.046 1
1 405 . 15 1 1 A 35 35 PHE CA C 35 60.700 60.824 -0.124 1
1 406 . 15 1 1 A 35 35 PHE CB C 35 38.200 38.567 -0.367 1
1 410 . 15 1 1 A 35 35 PHE N N 35 118.600 122.909 -4.309 1
1 411 . 15 1 1 A 36 36 ASP H H 36 8.410 8.362 0.048 1
1 412 . 15 1 1 A 36 36 ASP HA H 36 4.200 4.361 -0.161 1
1 415 . 15 1 1 A 36 36 ASP CA C 36 56.700 57.690 -0.990 1
1 416 . 15 1 1 A 36 36 ASP CB C 36 38.800 41.828 -3.028 1
1 417 . 15 1 1 A 36 36 ASP N N 36 117.000 119.934 -2.934 1
1 418 . 15 1 1 A 37 37 ALA H H 37 7.540 7.659 -0.119 1
1 419 . 15 1 1 A 37 37 ALA HA H 37 3.860 3.998 -0.138 1
1 423 . 15 1 1 A 37 37 ALA CA C 37 52.900 54.614 -1.714 1
1 424 . 15 1 1 A 37 37 ALA CB C 37 16.300 17.921 -1.621 1
1 425 . 15 1 1 A 37 37 ALA N N 37 120.900 121.202 -0.302 1
1 426 . 15 1 1 A 38 38 ALA H H 38 7.700 7.680 0.020 1
1 427 . 15 1 1 A 38 38 ALA HA H 38 4.210 4.081 0.129 1
1 431 . 15 1 1 A 38 38 ALA CA C 38 55.100 55.060 0.040 1
1 432 . 15 1 1 A 38 38 ALA CB C 38 20.500 18.242 2.258 1
1 433 . 15 1 1 A 38 38 ALA N N 38 117.600 120.192 -2.592 1
1 434 . 15 1 1 A 39 39 LEU H H 39 7.430 7.814 -0.384 1
1 435 . 15 1 1 A 39 39 LEU HA H 39 4.050 3.981 0.069 1
1 445 . 15 1 1 A 39 39 LEU CA C 39 60.500 60.079 0.421 1
1 446 . 15 1 1 A 39 39 LEU CB C 39 39.200 40.180 -0.980 1
1 450 . 15 1 1 A 39 39 LEU N N 39 114.900 118.297 -3.397 1
1 451 . 15 1 1 A 40 40 PRO HA H 40 4.180 4.408 -0.228 1
1 458 . 15 1 1 A 40 40 PRO CA C 40 65.100 65.595 -0.495 1
1 459 . 15 1 1 A 40 40 PRO CB C 40 30.600 30.894 -0.294 1
1 462 . 15 1 1 A 41 41 HIS H H 41 6.570 7.219 -0.649 1
1 463 . 15 1 1 A 41 41 HIS HA H 41 4.740 4.249 0.491 1
1 468 . 15 1 1 A 41 41 HIS CA C 41 58.800 59.470 -0.670 1
1 469 . 15 1 1 A 41 41 HIS CB C 41 30.800 30.198 0.602 1
1 472 . 15 1 1 A 41 41 HIS N N 41 116.500 116.270 0.230 1
1 473 . 15 1 1 A 42 42 LEU H H 42 8.140 9.006 -0.866 1
1 474 . 15 1 1 A 42 42 LEU HA H 42 4.120 3.924 0.196 1
1 484 . 15 1 1 A 42 42 LEU CA C 42 57.800 58.062 -0.262 1
1 485 . 15 1 1 A 42 42 LEU CB C 42 42.100 41.510 0.590 1
1 489 . 15 1 1 A 42 42 LEU N N 42 119.900 120.040 -0.140 1
1 490 . 15 1 1 A 43 43 ARG H H 43 8.300 7.966 0.334 1
1 491 . 15 1 1 A 43 43 ARG HA H 43 3.740 3.963 -0.223 1
1 498 . 15 1 1 A 43 43 ARG CA C 43 59.700 59.829 -0.129 1
1 499 . 15 1 1 A 43 43 ARG CB C 43 28.300 29.994 -1.694 1
1 502 . 15 1 1 A 43 43 ARG N N 43 116.400 120.143 -3.743 1
1 503 . 15 1 1 A 44 44 ALA H H 44 7.850 7.978 -0.128 1
1 504 . 15 1 1 A 44 44 ALA HA H 44 4.060 4.240 -0.180 1
1 508 . 15 1 1 A 44 44 ALA CA C 44 54.600 54.979 -0.379 1
1 509 . 15 1 1 A 44 44 ALA CB C 44 17.000 18.256 -1.256 1
1 510 . 15 1 1 A 44 44 ALA N N 44 121.000 120.679 0.321 1
1 511 . 15 1 1 A 45 45 ALA H H 45 8.440 7.552 0.888 1
1 512 . 15 1 1 A 45 45 ALA HA H 45 4.270 4.190 0.080 1
1 516 . 15 1 1 A 45 45 ALA CA C 45 56.200 55.060 1.140 1
1 517 . 15 1 1 A 45 45 ALA CB C 45 17.000 18.509 -1.509 1
1 518 . 15 1 1 A 45 45 ALA N N 45 121.200 120.984 0.216 1
1 519 . 15 1 1 A 46 46 LEU H H 46 7.310 8.106 -0.796 1
1 520 . 15 1 1 A 46 46 LEU HA H 46 4.010 4.151 -0.141 1
1 530 . 15 1 1 A 46 46 LEU CA C 46 55.900 57.913 -2.013 1
1 531 . 15 1 1 A 46 46 LEU CB C 46 42.200 41.715 0.485 1
1 535 . 15 1 1 A 46 46 LEU N N 46 116.800 118.508 -1.708 1
1 536 . 15 1 1 A 47 47 ASP H H 47 7.590 9.067 -1.477 1
1 537 . 15 1 1 A 47 47 ASP HA H 47 4.440 4.324 0.116 1
1 540 . 15 1 1 A 47 47 ASP CA C 47 55.500 57.189 -1.689 1
1 541 . 15 1 1 A 47 47 ASP CB C 47 39.200 40.812 -1.612 1
1 542 . 15 1 1 A 47 47 ASP N N 47 118.900 119.749 -0.849 1
1 543 . 15 1 1 A 48 48 PHE H H 48 7.490 8.036 -0.546 1
1 544 . 15 1 1 A 48 48 PHE HA H 48 4.450 4.384 0.066 1
1 552 . 15 1 1 A 48 48 PHE CA C 48 61.200 59.944 1.256 1
1 553 . 15 1 1 A 48 48 PHE CB C 48 39.600 40.083 -0.483 1
1 557 . 15 1 1 A 48 48 PHE N N 48 117.200 116.420 0.780 1
1 558 . 15 1 1 A 49 49 ASP H H 49 7.790 8.067 -0.277 1
1 559 . 15 1 1 A 49 49 ASP HA H 49 4.980 5.071 -0.091 1
1 562 . 15 1 1 A 49 49 ASP CA C 49 51.000 51.398 -0.398 1
1 563 . 15 1 1 A 49 49 ASP CB C 49 41.800 41.523 0.277 1
1 564 . 15 1 1 A 49 49 ASP N N 49 113.500 117.515 -4.015 1
1 565 . 15 1 1 A 50 50 PRO HA H 50 4.780 4.708 0.072 1
1 572 . 15 1 1 A 50 50 PRO CA C 50 64.000 63.912 0.088 1
1 573 . 15 1 1 A 50 50 PRO CB C 50 32.000 32.564 -0.564 1
1 576 . 15 1 1 A 51 51 THR H H 51 8.640 8.059 0.581 1
1 577 . 15 1 1 A 51 51 THR HA H 51 4.620 4.376 0.244 1
1 582 . 15 1 1 A 51 51 THR CA C 51 60.900 65.000 -4.100 1
1 583 . 15 1 1 A 51 51 THR CB C 51 68.600 68.550 0.050 1
1 585 . 15 1 1 A 51 51 THR N N 51 111.900 112.849 -0.949 1
1 586 . 15 1 1 A 52 52 TYR H H 52 7.350 7.922 -0.572 1
1 587 . 15 1 1 A 52 52 TYR HA H 52 4.820 4.534 0.286 1
1 594 . 15 1 1 A 52 52 TYR CA C 52 56.100 55.928 0.172 1
1 595 . 15 1 1 A 52 52 TYR CB C 52 35.900 37.772 -1.872 1
1 598 . 15 1 1 A 52 52 TYR N N 52 122.600 124.560 -1.960 1
1 599 . 15 1 1 A 53 53 SER H H 53 8.480 7.720 0.760 1
1 600 . 15 1 1 A 53 53 SER HA H 53 4.170 1.277 2.893 1
1 603 . 15 1 1 A 53 53 SER CA C 53 62.900 61.176 1.724 1
1 604 . 15 1 1 A 53 53 SER CB C 53 62.900 62.138 0.762 1
1 605 . 15 1 1 A 53 53 SER N N 53 127.100 122.727 4.373 1
1 606 . 15 1 1 A 54 54 VAL H H 54 7.860 7.206 0.654 1
1 607 . 15 1 1 A 54 54 VAL HA H 54 3.850 3.511 0.339 1
1 615 . 15 1 1 A 54 54 VAL CA C 54 65.500 66.118 -0.618 1
1 616 . 15 1 1 A 54 54 VAL CB C 54 31.200 31.190 0.010 1
1 619 . 15 1 1 A 54 54 VAL N N 54 116.800 121.217 -4.417 1
1 620 . 15 1 1 A 55 55 ALA H H 55 7.120 7.842 -0.722 1
1 621 . 15 1 1 A 55 55 ALA HA H 55 4.490 4.456 0.034 1
1 625 . 15 1 1 A 55 55 ALA CA C 55 55.700 55.183 0.517 1
1 626 . 15 1 1 A 55 55 ALA CB C 55 16.700 18.492 -1.792 1
1 627 . 15 1 1 A 55 55 ALA N N 55 123.000 121.180 1.820 1
1 628 . 15 1 1 A 56 56 TRP H H 56 7.340 7.627 -0.287 1
1 629 . 15 1 1 A 56 56 TRP HA H 56 4.160 4.569 -0.409 1
1 638 . 15 1 1 A 56 56 TRP CA C 56 60.700 59.981 0.719 1
1 639 . 15 1 1 A 56 56 TRP CB C 56 30.100 28.940 1.160 1
1 645 . 15 1 1 A 56 56 TRP N N 56 119.300 118.273 1.027 1
1 647 . 15 1 1 A 57 57 LYS H H 57 8.330 7.818 0.512 1
1 648 . 15 1 1 A 57 57 LYS HA H 57 3.970 4.182 -0.212 1
1 657 . 15 1 1 A 57 57 LYS CA C 57 59.300 59.256 0.044 1
1 658 . 15 1 1 A 57 57 LYS CB C 57 34.400 31.908 2.492 1
1 662 . 15 1 1 A 57 57 LYS N N 57 117.700 120.633 -2.933 1
1 663 . 15 1 1 A 58 58 TRP H H 58 8.170 8.293 -0.123 1
1 664 . 15 1 1 A 58 58 TRP HA H 58 4.230 4.523 -0.293 1
1 673 . 15 1 1 A 58 58 TRP CA C 58 61.600 59.858 1.742 1
1 674 . 15 1 1 A 58 58 TRP CB C 58 29.000 29.572 -0.572 1
1 680 . 15 1 1 A 58 58 TRP N N 58 119.100 120.855 -1.755 1
1 682 . 15 1 1 A 59 59 LEU H H 59 9.500 8.749 0.751 1
1 683 . 15 1 1 A 59 59 LEU HA H 59 4.090 4.105 -0.015 1
1 693 . 15 1 1 A 59 59 LEU CA C 59 58.500 58.139 0.361 1
1 694 . 15 1 1 A 59 59 LEU CB C 59 41.300 41.996 -0.696 1
1 698 . 15 1 1 A 59 59 LEU N N 59 127.300 121.445 5.855 1
1 699 . 15 1 1 A 60 60 GLY H H 60 8.480 8.058 0.422 1
1 700 . 15 1 1 A 60 60 GLY HA2 H 60 3.050 3.484 -0.434 1
1 701 . 15 1 1 A 60 60 GLY HA3 H 60 2.250 3.573 -1.323 1
1 702 . 15 1 1 A 60 60 GLY CA C 60 47.500 46.995 0.505 1
1 703 . 15 1 1 A 60 60 GLY N N 60 105.100 106.152 -1.052 1
1 704 . 15 1 1 A 61 61 LYS H H 61 7.680 7.934 -0.254 1
1 705 . 15 1 1 A 61 61 LYS HA H 61 3.890 4.241 -0.351 1
1 714 . 15 1 1 A 61 61 LYS CA C 61 59.300 58.483 0.817 1
1 715 . 15 1 1 A 61 61 LYS CB C 61 32.000 31.741 0.259 1
1 719 . 15 1 1 A 61 61 LYS N N 61 118.600 121.692 -3.092 1
1 720 . 15 1 1 A 62 62 THR H H 62 8.030 8.217 -0.187 1
1 721 . 15 1 1 A 62 62 THR HA H 62 3.780 4.297 -0.517 1
1 726 . 15 1 1 A 62 62 THR CA C 62 67.400 67.308 0.092 1
1 727 . 15 1 1 A 62 62 THR CB C 62 66.300 68.141 -1.841 1
1 729 . 15 1 1 A 62 62 THR N N 62 120.100 117.420 2.680 1
1 730 . 15 1 1 A 63 63 LEU H H 63 8.090 8.176 -0.086 1
1 731 . 15 1 1 A 63 63 LEU HA H 63 4.080 3.893 0.187 1
1 741 . 15 1 1 A 63 63 LEU CA C 63 57.800 57.610 0.190 1
1 742 . 15 1 1 A 63 63 LEU CB C 63 40.800 40.867 -0.067 1
1 746 . 15 1 1 A 63 63 LEU N N 63 121.400 121.161 0.239 1
1 747 . 15 1 1 A 64 64 GLN H H 64 8.300 7.565 0.735 1
1 748 . 15 1 1 A 64 64 GLN HA H 64 3.400 3.919 -0.519 1
1 755 . 15 1 1 A 64 64 GLN CA C 64 59.300 58.931 0.369 1
1 756 . 15 1 1 A 64 64 GLN CB C 64 28.100 27.796 0.304 1
1 758 . 15 1 1 A 64 64 GLN N N 64 119.500 118.971 0.529 1
1 760 . 15 1 1 A 65 65 GLY H H 65 7.720 7.469 0.251 1
1 761 . 15 1 1 A 65 65 GLY HA2 H 65 2.300 3.070 -0.770 1
1 762 . 15 1 1 A 65 65 GLY HA3 H 65 3.430 3.480 -0.050 1
1 763 . 15 1 1 A 65 65 GLY CA C 65 46.000 45.971 0.029 1
1 764 . 15 1 1 A 65 65 GLY N N 65 110.300 107.271 3.029 1
1 765 . 15 1 1 A 66 66 GLN H H 66 7.250 8.365 -1.115 1
1 766 . 15 1 1 A 66 66 GLN HA H 66 4.270 4.037 0.233 1
1 773 . 15 1 1 A 66 66 GLN CA C 66 55.900 57.214 -1.314 1
1 774 . 15 1 1 A 66 66 GLN CB C 66 30.000 28.485 1.515 1
1 776 . 15 1 1 A 66 66 GLN N N 66 117.500 118.612 -1.112 1
1 778 . 15 1 1 A 67 67 GLY H H 67 7.800 8.344 -0.544 1
1 779 . 15 1 1 A 67 67 GLY HA2 H 67 4.230 4.081 0.149 1
1 780 . 15 1 1 A 67 67 GLY HA3 H 67 3.660 4.103 -0.443 1
1 781 . 15 1 1 A 67 67 GLY CA C 67 44.800 45.664 -0.864 1
1 782 . 15 1 1 A 67 67 GLY N N 67 107.400 106.786 0.614 1
1 783 . 15 1 1 A 68 68 ASP H H 68 8.100 8.171 -0.071 1
1 784 . 15 1 1 A 68 68 ASP HA H 68 4.780 4.661 0.119 1
1 787 . 15 1 1 A 68 68 ASP CA C 68 51.100 52.859 -1.759 1
1 788 . 15 1 1 A 68 68 ASP CB C 68 38.800 40.177 -1.377 1
1 789 . 15 1 1 A 68 68 ASP N N 68 121.600 120.376 1.224 1
1 790 . 15 1 1 A 69 69 ARG H H 69 7.770 8.259 -0.489 1
1 791 . 15 1 1 A 69 69 ARG HA H 69 3.650 4.029 -0.379 1
1 798 . 15 1 1 A 69 69 ARG CA C 69 59.800 58.871 0.929 1
1 799 . 15 1 1 A 69 69 ARG CB C 69 28.700 29.901 -1.201 1
1 802 . 15 1 1 A 69 69 ARG N N 69 123.700 125.994 -2.294 1
1 803 . 15 1 1 A 70 70 ALA H H 70 8.490 8.078 0.412 1
1 804 . 15 1 1 A 70 70 ALA HA H 70 4.040 4.008 0.032 1
1 808 . 15 1 1 A 70 70 ALA CA C 70 54.700 54.815 -0.115 1
1 809 . 15 1 1 A 70 70 ALA CB C 70 17.800 18.765 -0.965 1
1 810 . 15 1 1 A 70 70 ALA N N 70 122.400 122.790 -0.390 1
1 811 . 15 1 1 A 71 71 GLY H H 71 8.540 8.892 -0.352 1
1 812 . 15 1 1 A 71 71 GLY HA2 H 71 3.570 3.639 -0.069 1
1 813 . 15 1 1 A 71 71 GLY HA3 H 71 3.710 3.652 0.058 1
1 814 . 15 1 1 A 71 71 GLY CA C 71 47.100 46.496 0.604 1
1 815 . 15 1 1 A 71 71 GLY N N 71 109.100 106.989 2.111 1
1 816 . 15 1 1 A 72 72 ALA H H 72 8.060 7.469 0.591 1
1 817 . 15 1 1 A 72 72 ALA HA H 72 3.310 3.264 0.046 1
1 821 . 15 1 1 A 72 72 ALA CA C 72 55.200 54.385 0.815 1
1 822 . 15 1 1 A 72 72 ALA CB C 72 17.200 18.230 -1.030 1
1 823 . 15 1 1 A 72 72 ALA N N 72 126.600 124.599 2.001 1
1 824 . 15 1 1 A 73 73 ARG H H 73 7.840 7.827 0.013 1
1 825 . 15 1 1 A 73 73 ARG HA H 73 3.760 4.147 -0.387 1
1 832 . 15 1 1 A 73 73 ARG CA C 73 59.700 59.754 -0.054 1
1 833 . 15 1 1 A 73 73 ARG CB C 73 29.800 29.989 -0.189 1
1 836 . 15 1 1 A 73 73 ARG N N 73 116.300 118.426 -2.126 1
1 837 . 15 1 1 A 74 74 GLN H H 74 7.690 7.922 -0.232 1
1 838 . 15 1 1 A 74 74 GLN HA H 74 3.970 4.038 -0.068 1
1 845 . 15 1 1 A 74 74 GLN CA C 74 58.800 58.681 0.119 1
1 846 . 15 1 1 A 74 74 GLN CB C 74 28.400 28.512 -0.112 1
1 848 . 15 1 1 A 74 74 GLN N N 74 116.500 118.947 -2.447 1
1 850 . 15 1 1 A 75 75 ALA H H 75 8.160 7.482 0.678 1
1 851 . 15 1 1 A 75 75 ALA HA H 75 4.350 4.046 0.304 1
1 855 . 15 1 1 A 75 75 ALA CA C 75 54.400 54.987 -0.587 1
1 856 . 15 1 1 A 75 75 ALA CB C 75 17.600 18.040 -0.440 1
1 857 . 15 1 1 A 75 75 ALA N N 75 121.900 121.038 0.862 1
1 858 . 15 1 1 A 76 76 TRP H H 76 8.640 7.979 0.661 1
1 859 . 15 1 1 A 76 76 TRP HA H 76 4.640 4.435 0.205 1
1 868 . 15 1 1 A 76 76 TRP CA C 76 58.200 60.275 -2.075 1
1 869 . 15 1 1 A 76 76 TRP CB C 76 27.600 29.581 -1.981 1
1 875 . 15 1 1 A 76 76 TRP N N 76 118.400 118.702 -0.302 1
1 877 . 15 1 1 A 77 77 GLU H H 77 9.050 8.700 0.350 1
1 878 . 15 1 1 A 77 77 GLU HA H 77 4.010 3.932 0.078 1
1 883 . 15 1 1 A 77 77 GLU CA C 77 58.900 59.940 -1.040 1
1 884 . 15 1 1 A 77 77 GLU CB C 77 28.100 29.373 -1.273 1
1 886 . 15 1 1 A 77 77 GLU N N 77 121.000 120.115 0.885 1
1 887 . 15 1 1 A 78 78 SER H H 78 8.280 7.616 0.664 1
1 888 . 15 1 1 A 78 78 SER HA H 78 3.800 4.210 -0.410 1
1 891 . 15 1 1 A 78 78 SER CA C 78 62.400 61.005 1.395 1
1 892 . 15 1 1 A 78 78 SER CB C 78 68.000 62.630 5.370 1
1 893 . 15 1 1 A 78 78 SER N N 78 120.000 115.573 4.427 1
1 894 . 15 1 1 A 79 79 GLY H H 79 8.580 8.663 -0.083 1
1 895 . 15 1 1 A 79 79 GLY HA2 H 79 3.470 3.755 -0.285 1
1 896 . 15 1 1 A 79 79 GLY HA3 H 79 3.580 3.911 -0.331 1
1 897 . 15 1 1 A 79 79 GLY CA C 79 47.000 46.912 0.088 1
1 898 . 15 1 1 A 79 79 GLY N N 79 111.000 108.683 2.317 1
1 899 . 15 1 1 A 80 80 LEU H H 80 8.640 8.212 0.428 1
1 900 . 15 1 1 A 80 80 LEU HA H 80 3.830 4.144 -0.314 1
1 910 . 15 1 1 A 80 80 LEU CA C 80 58.200 57.644 0.556 1
1 911 . 15 1 1 A 80 80 LEU CB C 80 41.800 41.616 0.184 1
1 915 . 15 1 1 A 80 80 LEU N N 80 125.600 123.091 2.509 1
1 916 . 15 1 1 A 81 81 ALA H H 81 7.400 8.108 -0.708 1
1 917 . 15 1 1 A 81 81 ALA HA H 81 4.140 3.939 0.201 1
1 921 . 15 1 1 A 81 81 ALA CA C 81 54.600 55.270 -0.670 1
1 922 . 15 1 1 A 81 81 ALA CB C 81 17.500 18.011 -0.511 1
1 923 . 15 1 1 A 81 81 ALA N N 81 120.400 120.595 -0.195 1
1 924 . 15 1 1 A 82 82 ALA H H 82 7.640 7.953 -0.313 1
1 925 . 15 1 1 A 82 82 ALA HA H 82 4.160 3.815 0.345 1
1 929 . 15 1 1 A 82 82 ALA CA C 82 54.700 54.672 0.028 1
1 930 . 15 1 1 A 82 82 ALA CB C 82 17.200 18.007 -0.807 1
1 931 . 15 1 1 A 82 82 ALA N N 82 120.900 120.396 0.504 1
1 932 . 15 1 1 A 83 83 ALA H H 83 8.910 7.706 1.204 1
1 933 . 15 1 1 A 83 83 ALA HA H 83 4.260 4.352 -0.092 1
1 937 . 15 1 1 A 83 83 ALA CA C 83 54.900 55.551 -0.651 1
1 938 . 15 1 1 A 83 83 ALA CB C 83 18.600 17.870 0.730 1
1 939 . 15 1 1 A 83 83 ALA N N 83 122.000 119.637 2.363 1
1 940 . 15 1 1 A 84 84 GLN H H 84 8.770 8.508 0.262 1
1 941 . 15 1 1 A 84 84 GLN HA H 84 3.940 4.065 -0.125 1
1 948 . 15 1 1 A 84 84 GLN CA C 84 58.800 59.233 -0.433 1
1 949 . 15 1 1 A 84 84 GLN CB C 84 28.200 28.169 0.031 1
1 951 . 15 1 1 A 84 84 GLN N N 84 118.400 118.581 -0.181 1
1 953 . 15 1 1 A 85 85 SER H H 85 7.920 8.282 -0.362 1
1 954 . 15 1 1 A 85 85 SER HA H 85 4.250 4.180 0.070 1
1 957 . 15 1 1 A 85 85 SER CA C 85 61.200 61.225 -0.025 1
1 958 . 15 1 1 A 85 85 SER CB C 85 62.700 63.024 -0.324 1
1 959 . 15 1 1 A 85 85 SER N N 85 115.200 115.107 0.093 1
1 960 . 15 1 1 A 86 86 ARG H H 86 7.590 7.792 -0.202 1
1 961 . 15 1 1 A 86 86 ARG HA H 86 4.380 4.419 -0.039 1
1 968 . 15 1 1 A 86 86 ARG CA C 86 55.800 56.047 -0.247 1
1 969 . 15 1 1 A 86 86 ARG CB C 86 31.200 30.772 0.428 1
1 972 . 15 1 1 A 86 86 ARG N N 86 117.800 117.235 0.565 1
1 973 . 15 1 1 A 87 87 GLY H H 87 7.790 7.831 -0.041 1
1 974 . 15 1 1 A 87 87 GLY HA2 H 87 3.870 3.963 -0.093 1
1 975 . 15 1 1 A 87 87 GLY HA3 H 87 4.080 3.963 0.117 1
1 976 . 15 1 1 A 87 87 GLY CA C 87 46.100 46.173 -0.073 1
1 977 . 15 1 1 A 87 87 GLY N N 87 109.100 108.848 0.252 1
1 978 . 15 1 1 A 88 88 ASP H H 88 8.210 8.598 -0.388 1
1 979 . 15 1 1 A 88 88 ASP HA H 88 4.830 4.726 0.104 1
1 982 . 15 1 1 A 88 88 ASP CA C 88 52.100 52.594 -0.494 1
1 983 . 15 1 1 A 88 88 ASP CB C 88 39.000 39.495 -0.495 1
1 984 . 15 1 1 A 88 88 ASP N N 88 120.200 120.899 -0.699 1
1 985 . 15 1 1 A 89 89 GLN H H 89 8.110 8.125 -0.015 1
1 986 . 15 1 1 A 89 89 GLN HA H 89 3.840 4.058 -0.218 1
1 993 . 15 1 1 A 89 89 GLN CA C 89 58.500 59.117 -0.617 1
1 994 . 15 1 1 A 89 89 GLN CB C 89 28.000 28.305 -0.305 1
1 996 . 15 1 1 A 89 89 GLN N N 89 122.400 124.989 -2.589 1
1 998 . 15 1 1 A 90 90 GLN H H 90 8.720 7.920 0.800 1
1 999 . 15 1 1 A 90 90 GLN HA H 90 4.000 4.070 -0.070 1
1 1006 . 15 1 1 A 90 90 GLN CA C 90 58.800 58.693 0.107 1
1 1007 . 15 1 1 A 90 90 GLN CB C 90 27.800 28.374 -0.574 1
1 1009 . 15 1 1 A 90 90 GLN N N 90 119.100 120.062 -0.962 1
1 1011 . 15 1 1 A 91 91 VAL H H 91 7.170 8.059 -0.889 1
1 1012 . 15 1 1 A 91 91 VAL HA H 91 3.660 3.630 0.030 1
1 1020 . 15 1 1 A 91 91 VAL CA C 91 65.500 66.213 -0.713 1
1 1021 . 15 1 1 A 91 91 VAL CB C 91 31.300 31.589 -0.289 1
1 1024 . 15 1 1 A 91 91 VAL N N 91 119.900 119.455 0.445 1
1 1025 . 15 1 1 A 92 92 VAL H H 92 7.880 7.669 0.211 1
1 1026 . 15 1 1 A 92 92 VAL HA H 92 3.240 3.564 -0.324 1
1 1034 . 15 1 1 A 92 92 VAL CA C 92 67.300 67.004 0.296 1
1 1035 . 15 1 1 A 92 92 VAL CB C 92 31.500 31.440 0.060 1
1 1038 . 15 1 1 A 92 92 VAL N N 92 119.900 120.630 -0.730 1
1 1039 . 15 1 1 A 93 93 LYS H H 93 7.480 7.816 -0.336 1
1 1040 . 15 1 1 A 93 93 LYS HA H 93 3.920 3.888 0.032 1
1 1049 . 15 1 1 A 93 93 LYS CA C 93 59.300 60.175 -0.875 1
1 1050 . 15 1 1 A 93 93 LYS CB C 93 31.900 31.960 -0.060 1
1 1054 . 15 1 1 A 93 93 LYS N N 93 116.000 118.646 -2.646 1
1 1055 . 15 1 1 A 94 94 GLU H H 94 7.480 8.155 -0.675 1
1 1056 . 15 1 1 A 94 94 GLU HA H 94 3.580 4.031 -0.451 1
1 1061 . 15 1 1 A 94 94 GLU CA C 94 58.600 58.978 -0.378 1
1 1062 . 15 1 1 A 94 94 GLU CB C 94 29.500 29.447 0.053 1
1 1064 . 15 1 1 A 94 94 GLU N N 94 117.500 120.501 -3.001 1
1 1065 . 15 1 1 A 95 95 LEU H H 95 8.370 8.665 -0.295 1
1 1066 . 15 1 1 A 95 95 LEU HA H 95 3.530 4.086 -0.556 1
1 1076 . 15 1 1 A 95 95 LEU CA C 95 57.600 57.792 -0.192 1
1 1077 . 15 1 1 A 95 95 LEU CB C 95 40.900 41.135 -0.235 1
1 1081 . 15 1 1 A 95 95 LEU N N 95 117.500 120.198 -2.698 1
1 1082 . 15 1 1 A 96 96 GLN H H 96 8.330 8.278 0.052 1
1 1083 . 15 1 1 A 96 96 GLN HA H 96 3.980 3.917 0.063 1
1 1090 . 15 1 1 A 96 96 GLN CA C 96 58.900 59.033 -0.133 1
1 1091 . 15 1 1 A 96 96 GLN CB C 96 28.100 28.072 0.028 1
1 1093 . 15 1 1 A 96 96 GLN N N 96 117.600 119.598 -1.998 1
1 1095 . 15 1 1 A 97 97 VAL H H 97 7.450 7.550 -0.100 1
1 1096 . 15 1 1 A 97 97 VAL HA H 97 3.450 3.481 -0.031 1
1 1104 . 15 1 1 A 97 97 VAL CA C 97 66.700 66.184 0.516 1
1 1105 . 15 1 1 A 97 97 VAL CB C 97 31.000 31.185 -0.185 1
1 1108 . 15 1 1 A 97 97 VAL N N 97 120.300 118.538 1.762 1
1 1109 . 15 1 1 A 98 98 PHE H H 98 7.460 7.198 0.262 1
1 1110 . 15 1 1 A 98 98 PHE HA H 98 3.980 4.004 -0.024 1
1 1118 . 15 1 1 A 98 98 PHE CA C 98 58.700 61.027 -2.327 1
1 1119 . 15 1 1 A 98 98 PHE CB C 98 35.500 37.559 -2.059 1
1 1123 . 15 1 1 A 98 98 PHE N N 98 119.100 117.980 1.120 1
1 1124 . 15 1 1 A 99 99 LEU H H 99 8.330 7.896 0.434 1
1 1125 . 15 1 1 A 99 99 LEU HA H 99 4.090 3.972 0.118 1
1 1135 . 15 1 1 A 99 99 LEU CA C 99 57.800 57.717 0.083 1
1 1136 . 15 1 1 A 99 99 LEU CB C 99 41.800 41.409 0.391 1
1 1140 . 15 1 1 A 99 99 LEU N N 99 119.300 119.700 -0.400 1
1 1141 . 15 1 1 A 100 100 ARG H H 100 8.350 7.924 0.426 1
1 1142 . 15 1 1 A 100 100 ARG HA H 100 4.110 4.043 0.067 1
1 1149 . 15 1 1 A 100 100 ARG CA C 100 59.300 59.510 -0.210 1
1 1150 . 15 1 1 A 100 100 ARG CB C 100 29.900 29.827 0.073 1
1 1153 . 15 1 1 A 100 100 ARG N N 100 121.900 119.729 2.171 1
1 1154 . 15 1 1 A 101 101 ARG H H 101 8.110 7.278 0.832 1
1 1155 . 15 1 1 A 101 101 ARG HA H 101 4.020 4.162 -0.142 1
1 1162 . 15 1 1 A 101 101 ARG CA C 101 57.600 58.829 -1.229 1
1 1163 . 15 1 1 A 101 101 ARG CB C 101 30.200 30.093 0.107 1
1 1166 . 15 1 1 A 101 101 ARG N N 101 120.500 119.961 0.539 1
1 1167 . 15 1 1 A 102 102 LEU H H 102 7.890 8.221 -0.331 1
1 1168 . 15 1 1 A 102 102 LEU HA H 102 4.150 4.186 -0.036 1
1 1178 . 15 1 1 A 102 102 LEU CA C 102 57.600 57.705 -0.105 1
1 1179 . 15 1 1 A 102 102 LEU CB C 102 42.300 41.515 0.785 1
1 1183 . 15 1 1 A 102 102 LEU N N 102 119.900 121.175 -1.275 1
1 1184 . 15 1 1 A 103 103 ALA H H 103 7.880 8.787 -0.907 1
1 1185 . 15 1 1 A 103 103 ALA HA H 103 4.170 3.976 0.194 1
1 1189 . 15 1 1 A 103 103 ALA CA C 103 54.700 55.036 -0.336 1
1 1190 . 15 1 1 A 103 103 ALA CB C 103 17.800 18.369 -0.569 1
1 1191 . 15 1 1 A 103 103 ALA N N 103 120.000 120.535 -0.535 1
1 1192 . 15 1 1 A 104 104 ARG H H 104 8.060 7.302 0.758 1
1 1193 . 15 1 1 A 104 104 ARG HA H 104 4.130 4.122 0.008 1
1 1200 . 15 1 1 A 104 104 ARG CA C 104 58.500 59.276 -0.776 1
1 1201 . 15 1 1 A 104 104 ARG CB C 104 29.800 29.565 0.235 1
1 1204 . 15 1 1 A 104 104 ARG N N 104 119.800 117.510 2.290 1
1 1205 . 15 1 1 A 105 105 GLU H H 105 8.050 7.859 0.191 1
1 1206 . 15 1 1 A 105 105 GLU HA H 105 4.020 4.141 -0.121 1
1 1211 . 15 1 1 A 105 105 GLU CA C 105 58.500 59.334 -0.834 1
1 1212 . 15 1 1 A 105 105 GLU CB C 105 28.900 29.739 -0.839 1
1 1214 . 15 1 1 A 105 105 GLU N N 105 119.700 119.908 -0.208 1
1 1215 . 15 1 1 A 106 106 ASP H H 106 8.360 8.412 -0.052 1
1 1216 . 15 1 1 A 106 106 ASP HA H 106 4.380 4.311 0.069 1
1 1219 . 15 1 1 A 106 106 ASP CA C 106 56.500 58.069 -1.569 1
1 1220 . 15 1 1 A 106 106 ASP CB C 106 40.500 42.215 -1.715 1
1 1221 . 15 1 1 A 106 106 ASP N N 106 119.800 120.188 -0.388 1
1 1222 . 15 1 1 A 107 107 ALA H H 107 7.910 8.569 -0.659 1
1 1223 . 15 1 1 A 107 107 ALA HA H 107 4.150 4.260 -0.110 1
1 1227 . 15 1 1 A 107 107 ALA CA C 107 54.200 54.883 -0.683 1
1 1228 . 15 1 1 A 107 107 ALA CB C 107 18.100 18.600 -0.500 1
1 1229 . 15 1 1 A 107 107 ALA N N 107 121.900 121.771 0.129 1
1 1230 . 15 1 1 A 108 108 LEU H H 108 7.840 8.000 -0.160 1
1 1231 . 15 1 1 A 108 108 LEU HA H 108 4.120 4.115 0.005 1
1 1241 . 15 1 1 A 108 108 LEU CA C 108 56.400 57.764 -1.364 1
1 1242 . 15 1 1 A 108 108 LEU CB C 108 42.000 41.398 0.602 1
1 1246 . 15 1 1 A 108 108 LEU N N 108 119.000 119.512 -0.512 1
1 1247 . 15 1 1 A 109 109 GLU H H 109 7.860 8.066 -0.206 1
1 1248 . 15 1 1 A 109 109 GLU HA H 109 4.090 4.432 -0.342 1
1 1253 . 15 1 1 A 109 109 GLU CA C 109 57.000 56.801 0.199 1
1 1254 . 15 1 1 A 109 109 GLU CB C 109 29.100 30.183 -1.083 1
1 1256 . 15 1 1 A 109 109 GLU N N 109 118.600 115.268 3.332 1
1 1257 . 15 1 1 A 110 110 HIS H H 110 8.140 7.796 0.344 1
1 1258 . 15 1 1 A 110 110 HIS HA H 110 4.560 4.863 -0.303 1
1 1261 . 15 1 1 A 110 110 HIS CA C 110 55.600 56.019 -0.419 1
1 1262 . 15 1 1 A 110 110 HIS CB C 110 28.300 30.349 -2.049 1
1 1263 . 15 1 1 A 110 110 HIS N N 110 117.000 119.920 -2.920 1
1 1264 . 15 1 1 A 111 111 HIS H H 111 8.340 7.903 0.437 1
1 1265 . 15 1 1 A 111 111 HIS HA H 111 4.600 4.143 0.457 1
1 1268 . 15 1 1 A 111 111 HIS CA C 111 55.500 59.571 -4.071 1
1 1269 . 15 1 1 A 111 111 HIS CB C 111 28.500 29.790 -1.290 1
1 1270 . 15 1 1 A 111 111 HIS N N 111 117.800 119.556 -1.756 1
1 1271 . 15 1 1 A 112 112 HIS H H 112 8.530 8.065 0.465 1
1 1272 . 15 1 1 A 112 112 HIS HA H 112 4.620 4.605 0.015 1
1 1275 . 15 1 1 A 112 112 HIS CA C 112 55.300 54.095 1.205 1
1 1276 . 15 1 1 A 112 112 HIS CB C 112 28.800 28.184 0.616 1
1 1277 . 15 1 1 A 112 112 HIS N N 112 119.000 118.167 0.833 1
1 1278 . 15 1 1 A 113 113 HIS H H 113 8.660 7.956 0.704 1
1 1279 . 15 1 1 A 113 113 HIS HA H 113 4.640 3.759 0.881 1
1 1282 . 15 1 1 A 113 113 HIS CA C 113 55.200 59.647 -4.447 1
1 1283 . 15 1 1 A 113 113 HIS CB C 113 28.900 30.508 -1.608 1
1 1284 . 15 1 1 A 113 113 HIS N N 113 120.000 125.300 -5.300 1
1 1285 . 15 1 1 A 114 114 HIS H H 114 8.630 8.143 0.487 1
1 1286 . 15 1 1 A 114 114 HIS HA H 114 4.610 4.392 0.218 1
1 1289 . 15 1 1 A 114 114 HIS CA C 114 55.200 57.811 -2.611 1
1 1290 . 15 1 1 A 114 114 HIS CB C 114 28.900 29.576 -0.676 1
1 1291 . 15 1 1 A 114 114 HIS N N 114 120.800 117.263 3.537 1
1 9 . 16 1 1 A 2 2 GLN H H 2 8.840 8.395 0.445 1
1 10 . 16 1 1 A 2 2 GLN HA H 2 4.310 4.542 -0.232 1
1 17 . 16 1 1 A 2 2 GLN CA C 2 55.600 55.662 -0.062 1
1 18 . 16 1 1 A 2 2 GLN CB C 2 29.900 30.197 -0.297 1
1 20 . 16 1 1 A 2 2 GLN N N 2 124.000 121.191 2.809 1
1 22 . 16 1 1 A 3 3 ALA H H 3 8.780 8.756 0.024 1
1 23 . 16 1 1 A 3 3 ALA HA H 3 4.240 4.666 -0.426 1
1 27 . 16 1 1 A 3 3 ALA CA C 3 52.600 50.699 1.901 1
1 28 . 16 1 1 A 3 3 ALA CB C 3 18.800 20.234 -1.434 1
1 29 . 16 1 1 A 3 3 ALA N N 3 127.500 121.486 6.014 1
1 30 . 16 1 1 A 4 4 ILE H H 4 8.490 8.623 -0.133 1
1 31 . 16 1 1 A 4 4 ILE HA H 4 3.820 3.778 0.042 1
1 41 . 16 1 1 A 4 4 ILE CA C 4 63.700 64.619 -0.919 1
1 42 . 16 1 1 A 4 4 ILE CB C 4 37.800 37.252 0.548 1
1 46 . 16 1 1 A 4 4 ILE N N 4 120.900 125.981 -5.081 1
1 47 . 16 1 1 A 5 5 THR H H 5 7.730 8.079 -0.349 1
1 48 . 16 1 1 A 5 5 THR HA H 5 3.540 3.792 -0.252 1
1 53 . 16 1 1 A 5 5 THR CA C 5 64.700 65.734 -1.034 1
1 54 . 16 1 1 A 5 5 THR CB C 5 66.700 67.972 -1.272 1
1 56 . 16 1 1 A 5 5 THR N N 5 110.700 113.663 -2.963 1
1 57 . 16 1 1 A 6 6 GLU H H 6 7.220 8.214 -0.994 1
1 58 . 16 1 1 A 6 6 GLU HA H 6 3.940 3.899 0.041 1
1 63 . 16 1 1 A 6 6 GLU CA C 6 59.200 59.719 -0.519 1
1 64 . 16 1 1 A 6 6 GLU CB C 6 28.900 29.182 -0.282 1
1 66 . 16 1 1 A 6 6 GLU N N 6 120.400 122.063 -1.663 1
1 67 . 16 1 1 A 7 7 ARG H H 7 7.930 7.997 -0.067 1
1 68 . 16 1 1 A 7 7 ARG HA H 7 3.950 4.097 -0.147 1
1 75 . 16 1 1 A 7 7 ARG CA C 7 59.100 58.865 0.235 1
1 76 . 16 1 1 A 7 7 ARG CB C 7 30.100 29.741 0.359 1
1 79 . 16 1 1 A 7 7 ARG N N 7 119.900 118.848 1.052 1
1 80 . 16 1 1 A 8 8 LEU H H 8 8.130 8.116 0.014 1
1 81 . 16 1 1 A 8 8 LEU HA H 8 4.150 3.986 0.164 1
1 91 . 16 1 1 A 8 8 LEU CA C 8 57.800 57.929 -0.129 1
1 92 . 16 1 1 A 8 8 LEU CB C 8 41.000 41.240 -0.240 1
1 96 . 16 1 1 A 8 8 LEU N N 8 119.600 120.938 -1.338 1
1 97 . 16 1 1 A 9 9 GLU H H 9 8.530 8.722 -0.192 1
1 98 . 16 1 1 A 9 9 GLU HA H 9 4.150 4.042 0.108 1
1 103 . 16 1 1 A 9 9 GLU CA C 9 59.100 59.660 -0.560 1
1 104 . 16 1 1 A 9 9 GLU CB C 9 28.300 29.204 -0.904 1
1 106 . 16 1 1 A 9 9 GLU N N 9 118.200 119.247 -1.047 1
1 107 . 16 1 1 A 10 10 ALA H H 10 7.800 8.203 -0.403 1
1 108 . 16 1 1 A 10 10 ALA HA H 10 4.230 4.091 0.139 1
1 112 . 16 1 1 A 10 10 ALA CA C 10 55.000 55.145 -0.145 1
1 113 . 16 1 1 A 10 10 ALA CB C 10 17.200 17.907 -0.707 1
1 114 . 16 1 1 A 10 10 ALA N N 10 122.900 122.087 0.813 1
1 115 . 16 1 1 A 11 11 MET H H 11 7.700 7.797 -0.097 1
1 116 . 16 1 1 A 11 11 MET HA H 11 4.040 4.198 -0.158 1
1 124 . 16 1 1 A 11 11 MET CA C 11 58.900 58.227 0.673 1
1 125 . 16 1 1 A 11 11 MET CB C 11 31.800 32.247 -0.447 1
1 128 . 16 1 1 A 11 11 MET N N 11 118.800 118.567 0.233 1
1 129 . 16 1 1 A 12 12 LEU H H 12 8.070 8.532 -0.462 1
1 130 . 16 1 1 A 12 12 LEU HA H 12 4.870 4.097 0.773 1
1 140 . 16 1 1 A 12 12 LEU CA C 12 56.900 57.924 -1.024 1
1 141 . 16 1 1 A 12 12 LEU CB C 12 41.900 41.359 0.541 1
1 145 . 16 1 1 A 12 12 LEU N N 12 122.500 119.361 3.139 1
1 146 . 16 1 1 A 13 13 ALA H H 13 8.150 7.710 0.440 1
1 147 . 16 1 1 A 13 13 ALA HA H 13 4.130 4.192 -0.062 1
1 151 . 16 1 1 A 13 13 ALA CA C 13 54.100 53.625 0.475 1
1 152 . 16 1 1 A 13 13 ALA CB C 13 17.700 18.340 -0.640 1
1 153 . 16 1 1 A 13 13 ALA N N 13 122.300 121.314 0.986 1
1 154 . 16 1 1 A 14 14 GLN H H 14 7.560 7.550 0.010 1
1 155 . 16 1 1 A 14 14 GLN HA H 14 4.340 4.384 -0.044 1
1 162 . 16 1 1 A 14 14 GLN CA C 14 55.500 55.750 -0.250 1
1 163 . 16 1 1 A 14 14 GLN CB C 14 28.700 29.248 -0.548 1
1 165 . 16 1 1 A 14 14 GLN N N 14 115.100 116.127 -1.027 1
1 167 . 16 1 1 A 15 15 GLY H H 15 7.870 8.124 -0.254 1
1 168 . 16 1 1 A 15 15 GLY HA2 H 15 3.720 3.973 -0.253 1
1 169 . 16 1 1 A 15 15 GLY HA3 H 15 4.430 3.973 0.457 1
1 170 . 16 1 1 A 15 15 GLY CA C 15 45.100 46.378 -1.278 1
1 171 . 16 1 1 A 15 15 GLY N N 15 106.800 108.113 -1.313 1
1 172 . 16 1 1 A 16 16 THR H H 16 7.980 7.991 -0.011 1
1 173 . 16 1 1 A 16 16 THR HA H 16 4.190 4.480 -0.290 1
1 178 . 16 1 1 A 16 16 THR CA C 16 62.600 61.461 1.139 1
1 179 . 16 1 1 A 16 16 THR CB C 16 68.800 70.066 -1.266 1
1 181 . 16 1 1 A 16 16 THR N N 16 120.800 115.047 5.753 1
1 182 . 16 1 1 A 17 17 ASP H H 17 8.110 8.862 -0.752 1
1 183 . 16 1 1 A 17 17 ASP HA H 17 4.830 4.650 0.180 1
1 186 . 16 1 1 A 17 17 ASP CA C 17 53.300 55.481 -2.181 1
1 187 . 16 1 1 A 17 17 ASP CB C 17 42.700 41.781 0.919 1
1 188 . 16 1 1 A 17 17 ASP N N 17 122.800 126.517 -3.717 1
1 189 . 16 1 1 A 18 18 ASN HA H 18 3.460 4.444 -0.984 1
1 194 . 16 1 1 A 18 18 ASN CA C 18 52.200 55.218 -3.018 1
1 195 . 16 1 1 A 18 18 ASN CB C 18 39.600 37.026 2.574 1
1 197 . 16 1 1 A 19 19 MET H H 19 8.260 8.888 -0.628 1
1 198 . 16 1 1 A 19 19 MET HA H 19 3.650 4.559 -0.909 1
1 206 . 16 1 1 A 19 19 MET CA C 19 61.100 57.246 3.854 1
1 207 . 16 1 1 A 19 19 MET CB C 19 32.900 34.193 -1.293 1
1 210 . 16 1 1 A 19 19 MET N N 19 119.100 122.806 -3.706 1
1 211 . 16 1 1 A 20 20 LEU H H 20 8.350 8.128 0.222 1
1 212 . 16 1 1 A 20 20 LEU HA H 20 4.220 3.925 0.295 1
1 222 . 16 1 1 A 20 20 LEU CA C 20 57.500 57.612 -0.112 1
1 223 . 16 1 1 A 20 20 LEU CB C 20 41.200 41.661 -0.461 1
1 227 . 16 1 1 A 20 20 LEU N N 20 120.400 120.896 -0.496 1
1 228 . 16 1 1 A 21 21 LEU H H 21 8.520 8.012 0.508 1
1 229 . 16 1 1 A 21 21 LEU HA H 21 3.910 3.946 -0.036 1
1 239 . 16 1 1 A 21 21 LEU CA C 21 59.200 58.539 0.661 1
1 240 . 16 1 1 A 21 21 LEU CB C 21 42.400 41.745 0.655 1
1 244 . 16 1 1 A 21 21 LEU N N 21 125.500 120.205 5.295 1
1 245 . 16 1 1 A 22 22 ARG H H 22 7.830 7.909 -0.079 1
1 246 . 16 1 1 A 22 22 ARG HA H 22 4.230 4.234 -0.004 1
1 253 . 16 1 1 A 22 22 ARG CA C 22 57.300 58.630 -1.330 1
1 254 . 16 1 1 A 22 22 ARG CB C 22 28.800 29.958 -1.158 1
1 257 . 16 1 1 A 22 22 ARG N N 22 117.200 117.971 -0.771 1
1 258 . 16 1 1 A 23 23 PHE H H 23 9.380 7.884 1.496 1
1 259 . 16 1 1 A 23 23 PHE HA H 23 3.950 4.111 -0.161 1
1 267 . 16 1 1 A 23 23 PHE CA C 23 61.500 61.158 0.342 1
1 268 . 16 1 1 A 23 23 PHE CB C 23 40.200 39.119 1.081 1
1 272 . 16 1 1 A 23 23 PHE N N 23 118.500 121.275 -2.775 1
1 273 . 16 1 1 A 24 24 THR H H 24 8.600 8.050 0.550 1
1 274 . 16 1 1 A 24 24 THR HA H 24 4.030 3.840 0.190 1
1 279 . 16 1 1 A 24 24 THR CA C 24 68.000 67.111 0.889 1
1 280 . 16 1 1 A 24 24 THR CB C 24 67.400 68.059 -0.659 1
1 282 . 16 1 1 A 24 24 THR N N 24 115.400 115.434 -0.034 1
1 283 . 16 1 1 A 25 25 LEU H H 25 8.200 7.548 0.652 1
1 284 . 16 1 1 A 25 25 LEU HA H 25 3.390 3.692 -0.302 1
1 294 . 16 1 1 A 25 25 LEU CA C 25 58.200 57.869 0.331 1
1 295 . 16 1 1 A 25 25 LEU CB C 25 42.200 41.515 0.685 1
1 299 . 16 1 1 A 25 25 LEU N N 25 124.500 120.466 4.034 1
1 300 . 16 1 1 A 26 26 GLY H H 26 8.520 8.074 0.446 1
1 301 . 16 1 1 A 26 26 GLY HA2 H 26 3.910 3.633 0.277 1
1 302 . 16 1 1 A 26 26 GLY HA3 H 26 3.570 3.738 -0.168 1
1 303 . 16 1 1 A 26 26 GLY CA C 26 48.400 46.948 1.452 1
1 304 . 16 1 1 A 26 26 GLY N N 26 104.600 105.578 -0.978 1
1 305 . 16 1 1 A 27 27 LYS H H 27 8.730 7.478 1.252 1
1 306 . 16 1 1 A 27 27 LYS HA H 27 2.970 3.274 -0.304 1
1 315 . 16 1 1 A 27 27 LYS CA C 27 59.100 58.131 0.969 1
1 316 . 16 1 1 A 27 27 LYS CB C 27 31.400 30.948 0.452 1
1 320 . 16 1 1 A 27 27 LYS N N 27 121.200 121.009 0.191 1
1 321 . 16 1 1 A 28 28 THR H H 28 7.420 7.260 0.160 1
1 322 . 16 1 1 A 28 28 THR HA H 28 3.680 3.844 -0.164 1
1 327 . 16 1 1 A 28 28 THR CA C 28 67.100 66.512 0.588 1
1 328 . 16 1 1 A 28 28 THR CB C 28 67.700 68.360 -0.660 1
1 330 . 16 1 1 A 28 28 THR N N 28 114.500 116.327 -1.827 1
1 331 . 16 1 1 A 29 29 TYR H H 29 8.220 7.637 0.583 1
1 332 . 16 1 1 A 29 29 TYR HA H 29 4.380 4.299 0.081 1
1 339 . 16 1 1 A 29 29 TYR CA C 29 61.400 61.367 0.033 1
1 340 . 16 1 1 A 29 29 TYR CB C 29 37.100 37.349 -0.249 1
1 343 . 16 1 1 A 29 29 TYR N N 29 120.400 120.845 -0.445 1
1 344 . 16 1 1 A 30 30 ALA H H 30 8.500 8.164 0.336 1
1 345 . 16 1 1 A 30 30 ALA HA H 30 3.770 4.202 -0.432 1
1 349 . 16 1 1 A 30 30 ALA CA C 30 56.000 55.477 0.523 1
1 350 . 16 1 1 A 30 30 ALA CB C 30 18.200 18.431 -0.231 1
1 351 . 16 1 1 A 30 30 ALA N N 30 123.300 123.068 0.232 1
1 352 . 16 1 1 A 31 31 GLU H H 31 8.940 8.106 0.834 1
1 353 . 16 1 1 A 31 31 GLU HA H 31 4.180 4.304 -0.124 1
1 358 . 16 1 1 A 31 31 GLU CA C 31 58.600 58.672 -0.072 1
1 359 . 16 1 1 A 31 31 GLU CB C 31 28.700 29.325 -0.625 1
1 361 . 16 1 1 A 31 31 GLU N N 31 120.700 119.376 1.324 1
1 362 . 16 1 1 A 32 32 HIS H H 32 7.340 7.352 -0.012 1
1 363 . 16 1 1 A 32 32 HIS HA H 32 4.740 4.629 0.111 1
1 368 . 16 1 1 A 32 32 HIS CA C 32 54.800 56.470 -1.670 1
1 369 . 16 1 1 A 32 32 HIS CB C 32 28.200 29.931 -1.731 1
1 372 . 16 1 1 A 32 32 HIS N N 32 115.300 115.887 -0.587 1
1 373 . 16 1 1 A 33 33 GLU H H 33 7.830 8.113 -0.283 1
1 374 . 16 1 1 A 33 33 GLU HA H 33 2.500 4.090 -1.590 1
1 379 . 16 1 1 A 33 33 GLU CA C 33 56.800 57.846 -1.046 1
1 380 . 16 1 1 A 33 33 GLU CB C 33 25.000 29.419 -4.419 1
1 382 . 16 1 1 A 33 33 GLU N N 33 112.200 117.721 -5.521 1
1 383 . 16 1 1 A 34 34 GLN H H 34 8.030 8.103 -0.073 1
1 384 . 16 1 1 A 34 34 GLN HA H 34 4.460 4.275 0.185 1
1 391 . 16 1 1 A 34 34 GLN CA C 34 53.200 54.202 -1.002 1
1 392 . 16 1 1 A 34 34 GLN CB C 34 26.500 29.338 -2.838 1
1 394 . 16 1 1 A 34 34 GLN N N 34 121.000 118.632 2.368 1
1 396 . 16 1 1 A 35 35 PHE H H 35 7.050 7.572 -0.522 1
1 397 . 16 1 1 A 35 35 PHE HA H 35 4.180 4.215 -0.035 1
1 405 . 16 1 1 A 35 35 PHE CA C 35 60.700 60.728 -0.028 1
1 406 . 16 1 1 A 35 35 PHE CB C 35 38.200 38.076 0.124 1
1 410 . 16 1 1 A 35 35 PHE N N 35 118.600 121.948 -3.348 1
1 411 . 16 1 1 A 36 36 ASP H H 36 8.410 7.897 0.513 1
1 412 . 16 1 1 A 36 36 ASP HA H 36 4.200 4.436 -0.236 1
1 415 . 16 1 1 A 36 36 ASP CA C 36 56.700 57.675 -0.975 1
1 416 . 16 1 1 A 36 36 ASP CB C 36 38.800 41.865 -3.065 1
1 417 . 16 1 1 A 36 36 ASP N N 36 117.000 121.430 -4.430 1
1 418 . 16 1 1 A 37 37 ALA H H 37 7.540 7.566 -0.026 1
1 419 . 16 1 1 A 37 37 ALA HA H 37 3.860 4.099 -0.239 1
1 423 . 16 1 1 A 37 37 ALA CA C 37 52.900 54.726 -1.826 1
1 424 . 16 1 1 A 37 37 ALA CB C 37 16.300 18.085 -1.785 1
1 425 . 16 1 1 A 37 37 ALA N N 37 120.900 121.172 -0.272 1
1 426 . 16 1 1 A 38 38 ALA H H 38 7.700 7.802 -0.102 1
1 427 . 16 1 1 A 38 38 ALA HA H 38 4.210 4.149 0.061 1
1 431 . 16 1 1 A 38 38 ALA CA C 38 55.100 55.168 -0.068 1
1 432 . 16 1 1 A 38 38 ALA CB C 38 20.500 18.086 2.414 1
1 433 . 16 1 1 A 38 38 ALA N N 38 117.600 120.333 -2.733 1
1 434 . 16 1 1 A 39 39 LEU H H 39 7.430 8.142 -0.712 1
1 435 . 16 1 1 A 39 39 LEU HA H 39 4.050 3.989 0.061 1
1 445 . 16 1 1 A 39 39 LEU CA C 39 60.500 60.094 0.406 1
1 446 . 16 1 1 A 39 39 LEU CB C 39 39.200 40.151 -0.951 1
1 450 . 16 1 1 A 39 39 LEU N N 39 114.900 118.395 -3.495 1
1 451 . 16 1 1 A 40 40 PRO HA H 40 4.180 4.386 -0.206 1
1 458 . 16 1 1 A 40 40 PRO CA C 40 65.100 65.751 -0.651 1
1 459 . 16 1 1 A 40 40 PRO CB C 40 30.600 30.929 -0.329 1
1 462 . 16 1 1 A 41 41 HIS H H 41 6.570 7.652 -1.082 1
1 463 . 16 1 1 A 41 41 HIS HA H 41 4.740 4.263 0.477 1
1 468 . 16 1 1 A 41 41 HIS CA C 41 58.800 59.506 -0.706 1
1 469 . 16 1 1 A 41 41 HIS CB C 41 30.800 30.127 0.673 1
1 472 . 16 1 1 A 41 41 HIS N N 41 116.500 117.700 -1.200 1
1 473 . 16 1 1 A 42 42 LEU H H 42 8.140 8.545 -0.405 1
1 474 . 16 1 1 A 42 42 LEU HA H 42 4.120 3.906 0.214 1
1 484 . 16 1 1 A 42 42 LEU CA C 42 57.800 57.888 -0.088 1
1 485 . 16 1 1 A 42 42 LEU CB C 42 42.100 41.641 0.459 1
1 489 . 16 1 1 A 42 42 LEU N N 42 119.900 119.869 0.031 1
1 490 . 16 1 1 A 43 43 ARG H H 43 8.300 8.417 -0.117 1
1 491 . 16 1 1 A 43 43 ARG HA H 43 3.740 4.049 -0.309 1
1 498 . 16 1 1 A 43 43 ARG CA C 43 59.700 59.651 0.049 1
1 499 . 16 1 1 A 43 43 ARG CB C 43 28.300 30.164 -1.864 1
1 502 . 16 1 1 A 43 43 ARG N N 43 116.400 119.547 -3.147 1
1 503 . 16 1 1 A 44 44 ALA H H 44 7.850 7.940 -0.090 1
1 504 . 16 1 1 A 44 44 ALA HA H 44 4.060 4.130 -0.070 1
1 508 . 16 1 1 A 44 44 ALA CA C 44 54.600 54.895 -0.295 1
1 509 . 16 1 1 A 44 44 ALA CB C 44 17.000 18.222 -1.222 1
1 510 . 16 1 1 A 44 44 ALA N N 44 121.000 121.315 -0.315 1
1 511 . 16 1 1 A 45 45 ALA H H 45 8.440 7.692 0.748 1
1 512 . 16 1 1 A 45 45 ALA HA H 45 4.270 4.220 0.050 1
1 516 . 16 1 1 A 45 45 ALA CA C 45 56.200 55.098 1.102 1
1 517 . 16 1 1 A 45 45 ALA CB C 45 17.000 18.443 -1.443 1
1 518 . 16 1 1 A 45 45 ALA N N 45 121.200 120.735 0.465 1
1 519 . 16 1 1 A 46 46 LEU H H 46 7.310 7.945 -0.635 1
1 520 . 16 1 1 A 46 46 LEU HA H 46 4.010 4.103 -0.093 1
1 530 . 16 1 1 A 46 46 LEU CA C 46 55.900 57.831 -1.931 1
1 531 . 16 1 1 A 46 46 LEU CB C 46 42.200 41.325 0.875 1
1 535 . 16 1 1 A 46 46 LEU N N 46 116.800 118.771 -1.971 1
1 536 . 16 1 1 A 47 47 ASP H H 47 7.590 8.284 -0.694 1
1 537 . 16 1 1 A 47 47 ASP HA H 47 4.440 4.232 0.208 1
1 540 . 16 1 1 A 47 47 ASP CA C 47 55.500 57.272 -1.772 1
1 541 . 16 1 1 A 47 47 ASP CB C 47 39.200 41.323 -2.123 1
1 542 . 16 1 1 A 47 47 ASP N N 47 118.900 120.019 -1.119 1
1 543 . 16 1 1 A 48 48 PHE H H 48 7.490 7.598 -0.108 1
1 544 . 16 1 1 A 48 48 PHE HA H 48 4.450 4.377 0.073 1
1 552 . 16 1 1 A 48 48 PHE CA C 48 61.200 59.796 1.404 1
1 553 . 16 1 1 A 48 48 PHE CB C 48 39.600 39.976 -0.376 1
1 557 . 16 1 1 A 48 48 PHE N N 48 117.200 116.245 0.955 1
1 558 . 16 1 1 A 49 49 ASP H H 49 7.790 7.673 0.117 1
1 559 . 16 1 1 A 49 49 ASP HA H 49 4.980 5.051 -0.071 1
1 562 . 16 1 1 A 49 49 ASP CA C 49 51.000 51.620 -0.620 1
1 563 . 16 1 1 A 49 49 ASP CB C 49 41.800 41.500 0.300 1
1 564 . 16 1 1 A 49 49 ASP N N 49 113.500 117.734 -4.234 1
1 565 . 16 1 1 A 50 50 PRO HA H 50 4.780 4.653 0.127 1
1 572 . 16 1 1 A 50 50 PRO CA C 50 64.000 64.192 -0.192 1
1 573 . 16 1 1 A 50 50 PRO CB C 50 32.000 31.871 0.129 1
1 576 . 16 1 1 A 51 51 THR H H 51 8.640 7.581 1.059 1
1 577 . 16 1 1 A 51 51 THR HA H 51 4.620 4.811 -0.191 1
1 582 . 16 1 1 A 51 51 THR CA C 51 60.900 61.880 -0.980 1
1 583 . 16 1 1 A 51 51 THR CB C 51 68.600 68.732 -0.132 1
1 585 . 16 1 1 A 51 51 THR N N 51 111.900 109.540 2.360 1
1 586 . 16 1 1 A 52 52 TYR H H 52 7.350 7.855 -0.505 1
1 587 . 16 1 1 A 52 52 TYR HA H 52 4.820 4.541 0.279 1
1 594 . 16 1 1 A 52 52 TYR CA C 52 56.100 55.728 0.372 1
1 595 . 16 1 1 A 52 52 TYR CB C 52 35.900 37.540 -1.640 1
1 598 . 16 1 1 A 52 52 TYR N N 52 122.600 125.227 -2.627 1
1 599 . 16 1 1 A 53 53 SER H H 53 8.480 7.549 0.931 1
1 600 . 16 1 1 A 53 53 SER HA H 53 4.170 1.477 2.693 1
1 603 . 16 1 1 A 53 53 SER CA C 53 62.900 61.207 1.693 1
1 604 . 16 1 1 A 53 53 SER CB C 53 62.900 62.346 0.554 1
1 605 . 16 1 1 A 53 53 SER N N 53 127.100 122.514 4.586 1
1 606 . 16 1 1 A 54 54 VAL H H 54 7.860 7.358 0.502 1
1 607 . 16 1 1 A 54 54 VAL HA H 54 3.850 3.548 0.302 1
1 615 . 16 1 1 A 54 54 VAL CA C 54 65.500 66.443 -0.943 1
1 616 . 16 1 1 A 54 54 VAL CB C 54 31.200 31.375 -0.175 1
1 619 . 16 1 1 A 54 54 VAL N N 54 116.800 121.489 -4.689 1
1 620 . 16 1 1 A 55 55 ALA H H 55 7.120 7.885 -0.765 1
1 621 . 16 1 1 A 55 55 ALA HA H 55 4.490 4.654 -0.164 1
1 625 . 16 1 1 A 55 55 ALA CA C 55 55.700 55.287 0.413 1
1 626 . 16 1 1 A 55 55 ALA CB C 55 16.700 18.619 -1.919 1
1 627 . 16 1 1 A 55 55 ALA N N 55 123.000 121.425 1.575 1
1 628 . 16 1 1 A 56 56 TRP H H 56 7.340 7.884 -0.544 1
1 629 . 16 1 1 A 56 56 TRP HA H 56 4.160 4.588 -0.428 1
1 638 . 16 1 1 A 56 56 TRP CA C 56 60.700 60.054 0.646 1
1 639 . 16 1 1 A 56 56 TRP CB C 56 30.100 29.078 1.022 1
1 645 . 16 1 1 A 56 56 TRP N N 56 119.300 118.356 0.944 1
1 647 . 16 1 1 A 57 57 LYS H H 57 8.330 7.766 0.564 1
1 648 . 16 1 1 A 57 57 LYS HA H 57 3.970 4.292 -0.322 1
1 657 . 16 1 1 A 57 57 LYS CA C 57 59.300 59.203 0.097 1
1 658 . 16 1 1 A 57 57 LYS CB C 57 34.400 31.886 2.514 1
1 662 . 16 1 1 A 57 57 LYS N N 57 117.700 120.149 -2.449 1
1 663 . 16 1 1 A 58 58 TRP H H 58 8.170 8.131 0.039 1
1 664 . 16 1 1 A 58 58 TRP HA H 58 4.230 4.569 -0.339 1
1 673 . 16 1 1 A 58 58 TRP CA C 58 61.600 59.850 1.750 1
1 674 . 16 1 1 A 58 58 TRP CB C 58 29.000 29.587 -0.587 1
1 680 . 16 1 1 A 58 58 TRP N N 58 119.100 121.117 -2.017 1
1 682 . 16 1 1 A 59 59 LEU H H 59 9.500 8.698 0.802 1
1 683 . 16 1 1 A 59 59 LEU HA H 59 4.090 4.083 0.007 1
1 693 . 16 1 1 A 59 59 LEU CA C 59 58.500 58.557 -0.057 1
1 694 . 16 1 1 A 59 59 LEU CB C 59 41.300 42.172 -0.872 1
1 698 . 16 1 1 A 59 59 LEU N N 59 127.300 120.780 6.520 1
1 699 . 16 1 1 A 60 60 GLY H H 60 8.480 7.666 0.814 1
1 700 . 16 1 1 A 60 60 GLY HA2 H 60 3.050 2.487 0.563 1
1 701 . 16 1 1 A 60 60 GLY HA3 H 60 2.250 3.259 -1.009 1
1 702 . 16 1 1 A 60 60 GLY CA C 60 47.500 46.656 0.844 1
1 703 . 16 1 1 A 60 60 GLY N N 60 105.100 105.022 0.078 1
1 704 . 16 1 1 A 61 61 LYS H H 61 7.680 7.792 -0.112 1
1 705 . 16 1 1 A 61 61 LYS HA H 61 3.890 4.121 -0.231 1
1 714 . 16 1 1 A 61 61 LYS CA C 61 59.300 59.620 -0.320 1
1 715 . 16 1 1 A 61 61 LYS CB C 61 32.000 32.257 -0.257 1
1 719 . 16 1 1 A 61 61 LYS N N 61 118.600 122.235 -3.635 1
1 720 . 16 1 1 A 62 62 THR H H 62 8.030 8.172 -0.142 1
1 721 . 16 1 1 A 62 62 THR HA H 62 3.780 4.077 -0.297 1
1 726 . 16 1 1 A 62 62 THR CA C 62 67.400 67.094 0.306 1
1 727 . 16 1 1 A 62 62 THR CB C 62 66.300 67.913 -1.613 1
1 729 . 16 1 1 A 62 62 THR N N 62 120.100 118.686 1.414 1
1 730 . 16 1 1 A 63 63 LEU H H 63 8.090 8.084 0.006 1
1 731 . 16 1 1 A 63 63 LEU HA H 63 4.080 3.918 0.162 1
1 741 . 16 1 1 A 63 63 LEU CA C 63 57.800 57.873 -0.073 1
1 742 . 16 1 1 A 63 63 LEU CB C 63 40.800 40.906 -0.106 1
1 746 . 16 1 1 A 63 63 LEU N N 63 121.400 121.732 -0.332 1
1 747 . 16 1 1 A 64 64 GLN H H 64 8.300 8.255 0.045 1
1 748 . 16 1 1 A 64 64 GLN HA H 64 3.400 3.896 -0.496 1
1 755 . 16 1 1 A 64 64 GLN CA C 64 59.300 59.426 -0.126 1
1 756 . 16 1 1 A 64 64 GLN CB C 64 28.100 28.117 -0.017 1
1 758 . 16 1 1 A 64 64 GLN N N 64 119.500 118.514 0.986 1
1 760 . 16 1 1 A 65 65 GLY H H 65 7.720 7.735 -0.015 1
1 761 . 16 1 1 A 65 65 GLY HA2 H 65 2.300 3.235 -0.935 1
1 762 . 16 1 1 A 65 65 GLY HA3 H 65 3.430 3.508 -0.078 1
1 763 . 16 1 1 A 65 65 GLY CA C 65 46.000 46.688 -0.688 1
1 764 . 16 1 1 A 65 65 GLY N N 65 110.300 106.955 3.345 1
1 765 . 16 1 1 A 66 66 GLN H H 66 7.250 7.417 -0.167 1
1 766 . 16 1 1 A 66 66 GLN HA H 66 4.270 4.285 -0.015 1
1 773 . 16 1 1 A 66 66 GLN CA C 66 55.900 57.551 -1.651 1
1 774 . 16 1 1 A 66 66 GLN CB C 66 30.000 29.364 0.636 1
1 776 . 16 1 1 A 66 66 GLN N N 66 117.500 120.339 -2.839 1
1 778 . 16 1 1 A 67 67 GLY H H 67 7.800 7.755 0.045 1
1 779 . 16 1 1 A 67 67 GLY HA2 H 67 4.230 4.085 0.145 1
1 780 . 16 1 1 A 67 67 GLY HA3 H 67 3.660 4.088 -0.428 1
1 781 . 16 1 1 A 67 67 GLY CA C 67 44.800 45.205 -0.405 1
1 782 . 16 1 1 A 67 67 GLY N N 67 107.400 107.403 -0.003 1
1 783 . 16 1 1 A 68 68 ASP H H 68 8.100 7.749 0.351 1
1 784 . 16 1 1 A 68 68 ASP HA H 68 4.780 4.766 0.014 1
1 787 . 16 1 1 A 68 68 ASP CA C 68 51.100 52.986 -1.886 1
1 788 . 16 1 1 A 68 68 ASP CB C 68 38.800 39.980 -1.180 1
1 789 . 16 1 1 A 68 68 ASP N N 68 121.600 121.158 0.442 1
1 790 . 16 1 1 A 69 69 ARG H H 69 7.770 8.437 -0.667 1
1 791 . 16 1 1 A 69 69 ARG HA H 69 3.650 3.677 -0.027 1
1 798 . 16 1 1 A 69 69 ARG CA C 69 59.800 59.451 0.349 1
1 799 . 16 1 1 A 69 69 ARG CB C 69 28.700 29.545 -0.845 1
1 802 . 16 1 1 A 69 69 ARG N N 69 123.700 126.550 -2.850 1
1 803 . 16 1 1 A 70 70 ALA H H 70 8.490 8.099 0.391 1
1 804 . 16 1 1 A 70 70 ALA HA H 70 4.040 3.987 0.053 1
1 808 . 16 1 1 A 70 70 ALA CA C 70 54.700 54.832 -0.132 1
1 809 . 16 1 1 A 70 70 ALA CB C 70 17.800 18.767 -0.967 1
1 810 . 16 1 1 A 70 70 ALA N N 70 122.400 121.559 0.841 1
1 811 . 16 1 1 A 71 71 GLY H H 71 8.540 8.223 0.317 1
1 812 . 16 1 1 A 71 71 GLY HA2 H 71 3.570 3.688 -0.118 1
1 813 . 16 1 1 A 71 71 GLY HA3 H 71 3.710 3.695 0.015 1
1 814 . 16 1 1 A 71 71 GLY CA C 71 47.100 47.199 -0.099 1
1 815 . 16 1 1 A 71 71 GLY N N 71 109.100 108.623 0.477 1
1 816 . 16 1 1 A 72 72 ALA H H 72 8.060 7.820 0.240 1
1 817 . 16 1 1 A 72 72 ALA HA H 72 3.310 3.465 -0.155 1
1 821 . 16 1 1 A 72 72 ALA CA C 72 55.200 54.626 0.574 1
1 822 . 16 1 1 A 72 72 ALA CB C 72 17.200 18.254 -1.054 1
1 823 . 16 1 1 A 72 72 ALA N N 72 126.600 124.950 1.650 1
1 824 . 16 1 1 A 73 73 ARG H H 73 7.840 7.499 0.341 1
1 825 . 16 1 1 A 73 73 ARG HA H 73 3.760 4.103 -0.343 1
1 832 . 16 1 1 A 73 73 ARG CA C 73 59.700 59.589 0.111 1
1 833 . 16 1 1 A 73 73 ARG CB C 73 29.800 29.872 -0.072 1
1 836 . 16 1 1 A 73 73 ARG N N 73 116.300 118.492 -2.192 1
1 837 . 16 1 1 A 74 74 GLN H H 74 7.690 8.469 -0.779 1
1 838 . 16 1 1 A 74 74 GLN HA H 74 3.970 4.054 -0.084 1
1 845 . 16 1 1 A 74 74 GLN CA C 74 58.800 58.571 0.229 1
1 846 . 16 1 1 A 74 74 GLN CB C 74 28.400 28.370 0.030 1
1 848 . 16 1 1 A 74 74 GLN N N 74 116.500 117.639 -1.139 1
1 850 . 16 1 1 A 75 75 ALA H H 75 8.160 7.995 0.165 1
1 851 . 16 1 1 A 75 75 ALA HA H 75 4.350 4.078 0.272 1
1 855 . 16 1 1 A 75 75 ALA CA C 75 54.400 54.956 -0.556 1
1 856 . 16 1 1 A 75 75 ALA CB C 75 17.600 18.086 -0.486 1
1 857 . 16 1 1 A 75 75 ALA N N 75 121.900 122.062 -0.162 1
1 858 . 16 1 1 A 76 76 TRP H H 76 8.640 8.050 0.590 1
1 859 . 16 1 1 A 76 76 TRP HA H 76 4.640 4.486 0.154 1
1 868 . 16 1 1 A 76 76 TRP CA C 76 58.200 60.375 -2.175 1
1 869 . 16 1 1 A 76 76 TRP CB C 76 27.600 29.707 -2.107 1
1 875 . 16 1 1 A 76 76 TRP N N 76 118.400 118.488 -0.088 1
1 877 . 16 1 1 A 77 77 GLU H H 77 9.050 8.232 0.818 1
1 878 . 16 1 1 A 77 77 GLU HA H 77 4.010 4.172 -0.162 1
1 883 . 16 1 1 A 77 77 GLU CA C 77 58.900 59.685 -0.785 1
1 884 . 16 1 1 A 77 77 GLU CB C 77 28.100 29.190 -1.090 1
1 886 . 16 1 1 A 77 77 GLU N N 77 121.000 120.520 0.480 1
1 887 . 16 1 1 A 78 78 SER H H 78 8.280 8.498 -0.218 1
1 888 . 16 1 1 A 78 78 SER HA H 78 3.800 4.188 -0.388 1
1 891 . 16 1 1 A 78 78 SER CA C 78 62.400 62.585 -0.185 1
1 892 . 16 1 1 A 78 78 SER CB C 78 68.000 62.503 5.497 1
1 893 . 16 1 1 A 78 78 SER N N 78 120.000 118.025 1.975 1
1 894 . 16 1 1 A 79 79 GLY H H 79 8.580 8.619 -0.039 1
1 895 . 16 1 1 A 79 79 GLY HA2 H 79 3.470 3.608 -0.138 1
1 896 . 16 1 1 A 79 79 GLY HA3 H 79 3.580 3.948 -0.368 1
1 897 . 16 1 1 A 79 79 GLY CA C 79 47.000 46.931 0.069 1
1 898 . 16 1 1 A 79 79 GLY N N 79 111.000 109.239 1.761 1
1 899 . 16 1 1 A 80 80 LEU H H 80 8.640 8.171 0.469 1
1 900 . 16 1 1 A 80 80 LEU HA H 80 3.830 4.128 -0.298 1
1 910 . 16 1 1 A 80 80 LEU CA C 80 58.200 57.797 0.403 1
1 911 . 16 1 1 A 80 80 LEU CB C 80 41.800 41.658 0.142 1
1 915 . 16 1 1 A 80 80 LEU N N 80 125.600 123.179 2.421 1
1 916 . 16 1 1 A 81 81 ALA H H 81 7.400 8.054 -0.654 1
1 917 . 16 1 1 A 81 81 ALA HA H 81 4.140 3.943 0.197 1
1 921 . 16 1 1 A 81 81 ALA CA C 81 54.600 55.132 -0.532 1
1 922 . 16 1 1 A 81 81 ALA CB C 81 17.500 18.170 -0.670 1
1 923 . 16 1 1 A 81 81 ALA N N 81 120.400 120.627 -0.227 1
1 924 . 16 1 1 A 82 82 ALA H H 82 7.640 7.708 -0.068 1
1 925 . 16 1 1 A 82 82 ALA HA H 82 4.160 3.846 0.314 1
1 929 . 16 1 1 A 82 82 ALA CA C 82 54.700 54.653 0.047 1
1 930 . 16 1 1 A 82 82 ALA CB C 82 17.200 18.095 -0.895 1
1 931 . 16 1 1 A 82 82 ALA N N 82 120.900 120.119 0.781 1
1 932 . 16 1 1 A 83 83 ALA H H 83 8.910 8.349 0.561 1
1 933 . 16 1 1 A 83 83 ALA HA H 83 4.260 4.514 -0.254 1
1 937 . 16 1 1 A 83 83 ALA CA C 83 54.900 55.610 -0.710 1
1 938 . 16 1 1 A 83 83 ALA CB C 83 18.600 17.984 0.616 1
1 939 . 16 1 1 A 83 83 ALA N N 83 122.000 119.806 2.194 1
1 940 . 16 1 1 A 84 84 GLN H H 84 8.770 8.518 0.252 1
1 941 . 16 1 1 A 84 84 GLN HA H 84 3.940 4.083 -0.143 1
1 948 . 16 1 1 A 84 84 GLN CA C 84 58.800 59.273 -0.473 1
1 949 . 16 1 1 A 84 84 GLN CB C 84 28.200 28.346 -0.146 1
1 951 . 16 1 1 A 84 84 GLN N N 84 118.400 118.565 -0.165 1
1 953 . 16 1 1 A 85 85 SER H H 85 7.920 8.266 -0.346 1
1 954 . 16 1 1 A 85 85 SER HA H 85 4.250 4.168 0.082 1
1 957 . 16 1 1 A 85 85 SER CA C 85 61.200 61.370 -0.170 1
1 958 . 16 1 1 A 85 85 SER CB C 85 62.700 63.010 -0.310 1
1 959 . 16 1 1 A 85 85 SER N N 85 115.200 115.372 -0.172 1
1 960 . 16 1 1 A 86 86 ARG H H 86 7.590 7.940 -0.350 1
1 961 . 16 1 1 A 86 86 ARG HA H 86 4.380 4.492 -0.112 1
1 968 . 16 1 1 A 86 86 ARG CA C 86 55.800 56.757 -0.957 1
1 969 . 16 1 1 A 86 86 ARG CB C 86 31.200 31.096 0.104 1
1 972 . 16 1 1 A 86 86 ARG N N 86 117.800 120.423 -2.623 1
1 973 . 16 1 1 A 87 87 GLY H H 87 7.790 8.035 -0.245 1
1 974 . 16 1 1 A 87 87 GLY HA2 H 87 3.870 3.950 -0.080 1
1 975 . 16 1 1 A 87 87 GLY HA3 H 87 4.080 3.952 0.128 1
1 976 . 16 1 1 A 87 87 GLY CA C 87 46.100 45.585 0.515 1
1 977 . 16 1 1 A 87 87 GLY N N 87 109.100 107.795 1.305 1
1 978 . 16 1 1 A 88 88 ASP H H 88 8.210 8.439 -0.229 1
1 979 . 16 1 1 A 88 88 ASP HA H 88 4.830 4.880 -0.050 1
1 982 . 16 1 1 A 88 88 ASP CA C 88 52.100 52.823 -0.723 1
1 983 . 16 1 1 A 88 88 ASP CB C 88 39.000 38.798 0.202 1
1 984 . 16 1 1 A 88 88 ASP N N 88 120.200 120.936 -0.736 1
1 985 . 16 1 1 A 89 89 GLN H H 89 8.110 8.186 -0.076 1
1 986 . 16 1 1 A 89 89 GLN HA H 89 3.840 4.054 -0.214 1
1 993 . 16 1 1 A 89 89 GLN CA C 89 58.500 59.046 -0.546 1
1 994 . 16 1 1 A 89 89 GLN CB C 89 28.000 28.293 -0.293 1
1 996 . 16 1 1 A 89 89 GLN N N 89 122.400 122.336 0.064 1
1 998 . 16 1 1 A 90 90 GLN H H 90 8.720 7.884 0.836 1
1 999 . 16 1 1 A 90 90 GLN HA H 90 4.000 4.068 -0.068 1
1 1006 . 16 1 1 A 90 90 GLN CA C 90 58.800 58.692 0.108 1
1 1007 . 16 1 1 A 90 90 GLN CB C 90 27.800 28.450 -0.650 1
1 1009 . 16 1 1 A 90 90 GLN N N 90 119.100 120.106 -1.006 1
1 1011 . 16 1 1 A 91 91 VAL H H 91 7.170 7.996 -0.826 1
1 1012 . 16 1 1 A 91 91 VAL HA H 91 3.660 3.629 0.031 1
1 1020 . 16 1 1 A 91 91 VAL CA C 91 65.500 66.302 -0.802 1
1 1021 . 16 1 1 A 91 91 VAL CB C 91 31.300 31.575 -0.275 1
1 1024 . 16 1 1 A 91 91 VAL N N 91 119.900 119.637 0.263 1
1 1025 . 16 1 1 A 92 92 VAL H H 92 7.880 7.799 0.081 1
1 1026 . 16 1 1 A 92 92 VAL HA H 92 3.240 3.551 -0.311 1
1 1034 . 16 1 1 A 92 92 VAL CA C 92 67.300 67.020 0.280 1
1 1035 . 16 1 1 A 92 92 VAL CB C 92 31.500 31.469 0.031 1
1 1038 . 16 1 1 A 92 92 VAL N N 92 119.900 120.525 -0.625 1
1 1039 . 16 1 1 A 93 93 LYS H H 93 7.480 8.011 -0.531 1
1 1040 . 16 1 1 A 93 93 LYS HA H 93 3.920 3.906 0.014 1
1 1049 . 16 1 1 A 93 93 LYS CA C 93 59.300 59.976 -0.676 1
1 1050 . 16 1 1 A 93 93 LYS CB C 93 31.900 32.029 -0.129 1
1 1054 . 16 1 1 A 93 93 LYS N N 93 116.000 118.706 -2.706 1
1 1055 . 16 1 1 A 94 94 GLU H H 94 7.480 8.176 -0.696 1
1 1056 . 16 1 1 A 94 94 GLU HA H 94 3.580 4.006 -0.426 1
1 1061 . 16 1 1 A 94 94 GLU CA C 94 58.600 59.085 -0.485 1
1 1062 . 16 1 1 A 94 94 GLU CB C 94 29.500 29.360 0.140 1
1 1064 . 16 1 1 A 94 94 GLU N N 94 117.500 120.437 -2.937 1
1 1065 . 16 1 1 A 95 95 LEU H H 95 8.370 8.596 -0.226 1
1 1066 . 16 1 1 A 95 95 LEU HA H 95 3.530 3.952 -0.422 1
1 1076 . 16 1 1 A 95 95 LEU CA C 95 57.600 57.882 -0.282 1
1 1077 . 16 1 1 A 95 95 LEU CB C 95 40.900 40.911 -0.011 1
1 1081 . 16 1 1 A 95 95 LEU N N 95 117.500 120.067 -2.567 1
1 1082 . 16 1 1 A 96 96 GLN H H 96 8.330 7.937 0.393 1
1 1083 . 16 1 1 A 96 96 GLN HA H 96 3.980 4.023 -0.043 1
1 1090 . 16 1 1 A 96 96 GLN CA C 96 58.900 58.416 0.484 1
1 1091 . 16 1 1 A 96 96 GLN CB C 96 28.100 28.768 -0.668 1
1 1093 . 16 1 1 A 96 96 GLN N N 96 117.600 118.527 -0.927 1
1 1095 . 16 1 1 A 97 97 VAL H H 97 7.450 7.485 -0.035 1
1 1096 . 16 1 1 A 97 97 VAL HA H 97 3.450 3.415 0.035 1
1 1104 . 16 1 1 A 97 97 VAL CA C 97 66.700 66.225 0.475 1
1 1105 . 16 1 1 A 97 97 VAL CB C 97 31.000 31.207 -0.207 1
1 1108 . 16 1 1 A 97 97 VAL N N 97 120.300 120.587 -0.287 1
1 1109 . 16 1 1 A 98 98 PHE H H 98 7.460 7.339 0.121 1
1 1110 . 16 1 1 A 98 98 PHE HA H 98 3.980 3.980 0.000 1
1 1118 . 16 1 1 A 98 98 PHE CA C 98 58.700 61.215 -2.515 1
1 1119 . 16 1 1 A 98 98 PHE CB C 98 35.500 37.767 -2.267 1
1 1123 . 16 1 1 A 98 98 PHE N N 98 119.100 117.958 1.142 1
1 1124 . 16 1 1 A 99 99 LEU H H 99 8.330 8.041 0.289 1
1 1125 . 16 1 1 A 99 99 LEU HA H 99 4.090 4.069 0.021 1
1 1135 . 16 1 1 A 99 99 LEU CA C 99 57.800 57.864 -0.064 1
1 1136 . 16 1 1 A 99 99 LEU CB C 99 41.800 41.172 0.628 1
1 1140 . 16 1 1 A 99 99 LEU N N 99 119.300 119.635 -0.335 1
1 1141 . 16 1 1 A 100 100 ARG H H 100 8.350 8.193 0.157 1
1 1142 . 16 1 1 A 100 100 ARG HA H 100 4.110 4.043 0.067 1
1 1149 . 16 1 1 A 100 100 ARG CA C 100 59.300 59.481 -0.181 1
1 1150 . 16 1 1 A 100 100 ARG CB C 100 29.900 29.837 0.063 1
1 1153 . 16 1 1 A 100 100 ARG N N 100 121.900 119.744 2.156 1
1 1154 . 16 1 1 A 101 101 ARG H H 101 8.110 7.446 0.664 1
1 1155 . 16 1 1 A 101 101 ARG HA H 101 4.020 4.066 -0.046 1
1 1162 . 16 1 1 A 101 101 ARG CA C 101 57.600 58.971 -1.371 1
1 1163 . 16 1 1 A 101 101 ARG CB C 101 30.200 29.855 0.345 1
1 1166 . 16 1 1 A 101 101 ARG N N 101 120.500 119.654 0.846 1
1 1167 . 16 1 1 A 102 102 LEU H H 102 7.890 8.038 -0.148 1
1 1168 . 16 1 1 A 102 102 LEU HA H 102 4.150 4.173 -0.023 1
1 1178 . 16 1 1 A 102 102 LEU CA C 102 57.600 57.564 0.036 1
1 1179 . 16 1 1 A 102 102 LEU CB C 102 42.300 40.910 1.390 1
1 1183 . 16 1 1 A 102 102 LEU N N 102 119.900 119.918 -0.018 1
1 1184 . 16 1 1 A 103 103 ALA H H 103 7.880 8.221 -0.341 1
1 1185 . 16 1 1 A 103 103 ALA HA H 103 4.170 3.954 0.216 1
1 1189 . 16 1 1 A 103 103 ALA CA C 103 54.700 55.093 -0.393 1
1 1190 . 16 1 1 A 103 103 ALA CB C 103 17.800 18.199 -0.399 1
1 1191 . 16 1 1 A 103 103 ALA N N 103 120.000 122.557 -2.557 1
1 1192 . 16 1 1 A 104 104 ARG H H 104 8.060 7.337 0.723 1
1 1193 . 16 1 1 A 104 104 ARG HA H 104 4.130 4.059 0.071 1
1 1200 . 16 1 1 A 104 104 ARG CA C 104 58.500 59.364 -0.864 1
1 1201 . 16 1 1 A 104 104 ARG CB C 104 29.800 29.839 -0.039 1
1 1204 . 16 1 1 A 104 104 ARG N N 104 119.800 117.411 2.389 1
1 1205 . 16 1 1 A 105 105 GLU H H 105 8.050 8.059 -0.009 1
1 1206 . 16 1 1 A 105 105 GLU HA H 105 4.020 4.177 -0.157 1
1 1211 . 16 1 1 A 105 105 GLU CA C 105 58.500 59.266 -0.766 1
1 1212 . 16 1 1 A 105 105 GLU CB C 105 28.900 29.304 -0.404 1
1 1214 . 16 1 1 A 105 105 GLU N N 105 119.700 120.043 -0.343 1
1 1215 . 16 1 1 A 106 106 ASP H H 106 8.360 8.474 -0.114 1
1 1216 . 16 1 1 A 106 106 ASP HA H 106 4.380 4.375 0.005 1
1 1219 . 16 1 1 A 106 106 ASP CA C 106 56.500 57.365 -0.865 1
1 1220 . 16 1 1 A 106 106 ASP CB C 106 40.500 41.023 -0.523 1
1 1221 . 16 1 1 A 106 106 ASP N N 106 119.800 119.787 0.013 1
1 1222 . 16 1 1 A 107 107 ALA H H 107 7.910 8.145 -0.235 1
1 1223 . 16 1 1 A 107 107 ALA HA H 107 4.150 4.111 0.039 1
1 1227 . 16 1 1 A 107 107 ALA CA C 107 54.200 55.166 -0.966 1
1 1228 . 16 1 1 A 107 107 ALA CB C 107 18.100 18.595 -0.495 1
1 1229 . 16 1 1 A 107 107 ALA N N 107 121.900 121.712 0.188 1
1 1230 . 16 1 1 A 108 108 LEU H H 108 7.840 7.568 0.272 1
1 1231 . 16 1 1 A 108 108 LEU HA H 108 4.120 4.143 -0.023 1
1 1241 . 16 1 1 A 108 108 LEU CA C 108 56.400 57.940 -1.540 1
1 1242 . 16 1 1 A 108 108 LEU CB C 108 42.000 42.147 -0.147 1
1 1246 . 16 1 1 A 108 108 LEU N N 108 119.000 118.019 0.981 1
1 1247 . 16 1 1 A 109 109 GLU H H 109 7.860 8.215 -0.355 1
1 1248 . 16 1 1 A 109 109 GLU HA H 109 4.090 4.194 -0.104 1
1 1253 . 16 1 1 A 109 109 GLU CA C 109 57.000 57.911 -0.911 1
1 1254 . 16 1 1 A 109 109 GLU CB C 109 29.100 27.562 1.538 1
1 1256 . 16 1 1 A 109 109 GLU N N 109 118.600 115.491 3.109 1
1 1257 . 16 1 1 A 110 110 HIS H H 110 8.140 8.134 0.006 1
1 1258 . 16 1 1 A 110 110 HIS HA H 110 4.560 4.692 -0.132 1
1 1261 . 16 1 1 A 110 110 HIS CA C 110 55.600 57.814 -2.214 1
1 1262 . 16 1 1 A 110 110 HIS CB C 110 28.300 31.090 -2.790 1
1 1263 . 16 1 1 A 110 110 HIS N N 110 117.000 118.645 -1.645 1
1 1264 . 16 1 1 A 111 111 HIS H H 111 8.340 8.092 0.248 1
1 1265 . 16 1 1 A 111 111 HIS HA H 111 4.600 4.263 0.337 1
1 1268 . 16 1 1 A 111 111 HIS CA C 111 55.500 58.297 -2.797 1
1 1269 . 16 1 1 A 111 111 HIS CB C 111 28.500 30.343 -1.843 1
1 1270 . 16 1 1 A 111 111 HIS N N 111 117.800 118.691 -0.891 1
1 1271 . 16 1 1 A 112 112 HIS H H 112 8.530 8.101 0.429 1
1 1272 . 16 1 1 A 112 112 HIS HA H 112 4.620 4.517 0.103 1
1 1275 . 16 1 1 A 112 112 HIS CA C 112 55.300 56.858 -1.558 1
1 1276 . 16 1 1 A 112 112 HIS CB C 112 28.800 30.589 -1.789 1
1 1277 . 16 1 1 A 112 112 HIS N N 112 119.000 117.480 1.520 1
1 1278 . 16 1 1 A 113 113 HIS H H 113 8.660 7.712 0.948 1
1 1279 . 16 1 1 A 113 113 HIS HA H 113 4.640 4.822 -0.182 1
1 1282 . 16 1 1 A 113 113 HIS CA C 113 55.200 53.995 1.205 1
1 1283 . 16 1 1 A 113 113 HIS CB C 113 28.900 30.933 -2.033 1
1 1284 . 16 1 1 A 113 113 HIS N N 113 120.000 120.152 -0.152 1
1 1285 . 16 1 1 A 114 114 HIS H H 114 8.630 8.521 0.109 1
1 1286 . 16 1 1 A 114 114 HIS HA H 114 4.610 4.379 0.231 1
1 1289 . 16 1 1 A 114 114 HIS CA C 114 55.200 56.186 -0.986 1
1 1290 . 16 1 1 A 114 114 HIS CB C 114 28.900 32.959 -4.059 1
1 1291 . 16 1 1 A 114 114 HIS N N 114 120.800 127.597 -6.797 1
1 9 . 17 1 1 A 2 2 GLN H H 2 8.840 8.416 0.424 1
1 10 . 17 1 1 A 2 2 GLN HA H 2 4.310 4.320 -0.010 1
1 17 . 17 1 1 A 2 2 GLN CA C 2 55.600 55.945 -0.345 1
1 18 . 17 1 1 A 2 2 GLN CB C 2 29.900 29.333 0.567 1
1 20 . 17 1 1 A 2 2 GLN N N 2 124.000 118.879 5.121 1
1 22 . 17 1 1 A 3 3 ALA H H 3 8.780 8.586 0.194 1
1 23 . 17 1 1 A 3 3 ALA HA H 3 4.240 4.120 0.120 1
1 27 . 17 1 1 A 3 3 ALA CA C 3 52.600 51.574 1.026 1
1 28 . 17 1 1 A 3 3 ALA CB C 3 18.800 17.803 0.997 1
1 29 . 17 1 1 A 3 3 ALA N N 3 127.500 123.997 3.503 1
1 30 . 17 1 1 A 4 4 ILE H H 4 8.490 7.963 0.527 1
1 31 . 17 1 1 A 4 4 ILE HA H 4 3.820 3.703 0.117 1
1 41 . 17 1 1 A 4 4 ILE CA C 4 63.700 64.659 -0.959 1
1 42 . 17 1 1 A 4 4 ILE CB C 4 37.800 37.389 0.411 1
1 46 . 17 1 1 A 4 4 ILE N N 4 120.900 123.660 -2.760 1
1 47 . 17 1 1 A 5 5 THR H H 5 7.730 8.059 -0.329 1
1 48 . 17 1 1 A 5 5 THR HA H 5 3.540 3.731 -0.191 1
1 53 . 17 1 1 A 5 5 THR CA C 5 64.700 65.756 -1.056 1
1 54 . 17 1 1 A 5 5 THR CB C 5 66.700 68.172 -1.472 1
1 56 . 17 1 1 A 5 5 THR N N 5 110.700 113.525 -2.825 1
1 57 . 17 1 1 A 6 6 GLU H H 6 7.220 8.033 -0.813 1
1 58 . 17 1 1 A 6 6 GLU HA H 6 3.940 4.034 -0.094 1
1 63 . 17 1 1 A 6 6 GLU CA C 6 59.200 59.375 -0.175 1
1 64 . 17 1 1 A 6 6 GLU CB C 6 28.900 29.180 -0.280 1
1 66 . 17 1 1 A 6 6 GLU N N 6 120.400 122.050 -1.650 1
1 67 . 17 1 1 A 7 7 ARG H H 7 7.930 7.584 0.346 1
1 68 . 17 1 1 A 7 7 ARG HA H 7 3.950 4.085 -0.135 1
1 75 . 17 1 1 A 7 7 ARG CA C 7 59.100 58.854 0.246 1
1 76 . 17 1 1 A 7 7 ARG CB C 7 30.100 29.654 0.446 1
1 79 . 17 1 1 A 7 7 ARG N N 7 119.900 119.053 0.847 1
1 80 . 17 1 1 A 8 8 LEU H H 8 8.130 8.051 0.079 1
1 81 . 17 1 1 A 8 8 LEU HA H 8 4.150 3.956 0.194 1
1 91 . 17 1 1 A 8 8 LEU CA C 8 57.800 57.955 -0.155 1
1 92 . 17 1 1 A 8 8 LEU CB C 8 41.000 41.000 0.000 1
1 96 . 17 1 1 A 8 8 LEU N N 8 119.600 121.146 -1.546 1
1 97 . 17 1 1 A 9 9 GLU H H 9 8.530 8.634 -0.104 1
1 98 . 17 1 1 A 9 9 GLU HA H 9 4.150 4.035 0.115 1
1 103 . 17 1 1 A 9 9 GLU CA C 9 59.100 59.663 -0.563 1
1 104 . 17 1 1 A 9 9 GLU CB C 9 28.300 29.469 -1.169 1
1 106 . 17 1 1 A 9 9 GLU N N 9 118.200 119.986 -1.786 1
1 107 . 17 1 1 A 10 10 ALA H H 10 7.800 8.092 -0.292 1
1 108 . 17 1 1 A 10 10 ALA HA H 10 4.230 4.086 0.144 1
1 112 . 17 1 1 A 10 10 ALA CA C 10 55.000 54.898 0.102 1
1 113 . 17 1 1 A 10 10 ALA CB C 10 17.200 18.370 -1.170 1
1 114 . 17 1 1 A 10 10 ALA N N 10 122.900 121.729 1.171 1
1 115 . 17 1 1 A 11 11 MET H H 11 7.700 7.770 -0.070 1
1 116 . 17 1 1 A 11 11 MET HA H 11 4.040 4.171 -0.131 1
1 124 . 17 1 1 A 11 11 MET CA C 11 58.900 58.261 0.639 1
1 125 . 17 1 1 A 11 11 MET CB C 11 31.800 32.249 -0.449 1
1 128 . 17 1 1 A 11 11 MET N N 11 118.800 118.180 0.620 1
1 129 . 17 1 1 A 12 12 LEU H H 12 8.070 7.944 0.126 1
1 130 . 17 1 1 A 12 12 LEU HA H 12 4.870 4.619 0.251 1
1 140 . 17 1 1 A 12 12 LEU CA C 12 56.900 57.855 -0.955 1
1 141 . 17 1 1 A 12 12 LEU CB C 12 41.900 41.314 0.586 1
1 145 . 17 1 1 A 12 12 LEU N N 12 122.500 119.351 3.149 1
1 146 . 17 1 1 A 13 13 ALA H H 13 8.150 7.964 0.186 1
1 147 . 17 1 1 A 13 13 ALA HA H 13 4.130 4.239 -0.109 1
1 151 . 17 1 1 A 13 13 ALA CA C 13 54.100 53.326 0.774 1
1 152 . 17 1 1 A 13 13 ALA CB C 13 17.700 18.446 -0.746 1
1 153 . 17 1 1 A 13 13 ALA N N 13 122.300 121.006 1.294 1
1 154 . 17 1 1 A 14 14 GLN H H 14 7.560 7.766 -0.206 1
1 155 . 17 1 1 A 14 14 GLN HA H 14 4.340 4.378 -0.038 1
1 162 . 17 1 1 A 14 14 GLN CA C 14 55.500 55.794 -0.294 1
1 163 . 17 1 1 A 14 14 GLN CB C 14 28.700 29.283 -0.583 1
1 165 . 17 1 1 A 14 14 GLN N N 14 115.100 116.143 -1.043 1
1 167 . 17 1 1 A 15 15 GLY H H 15 7.870 8.538 -0.668 1
1 168 . 17 1 1 A 15 15 GLY HA2 H 15 3.720 3.918 -0.198 1
1 169 . 17 1 1 A 15 15 GLY HA3 H 15 4.430 3.920 0.510 1
1 170 . 17 1 1 A 15 15 GLY CA C 15 45.100 46.210 -1.110 1
1 171 . 17 1 1 A 15 15 GLY N N 15 106.800 107.569 -0.769 1
1 172 . 17 1 1 A 16 16 THR H H 16 7.980 7.471 0.509 1
1 173 . 17 1 1 A 16 16 THR HA H 16 4.190 4.690 -0.500 1
1 178 . 17 1 1 A 16 16 THR CA C 16 62.600 61.579 1.021 1
1 179 . 17 1 1 A 16 16 THR CB C 16 68.800 70.914 -2.114 1
1 181 . 17 1 1 A 16 16 THR N N 16 120.800 114.313 6.487 1
1 182 . 17 1 1 A 17 17 ASP H H 17 8.110 9.232 -1.122 1
1 183 . 17 1 1 A 17 17 ASP HA H 17 4.830 5.244 -0.414 1
1 186 . 17 1 1 A 17 17 ASP CA C 17 53.300 52.723 0.577 1
1 187 . 17 1 1 A 17 17 ASP CB C 17 42.700 42.465 0.235 1
1 188 . 17 1 1 A 17 17 ASP N N 17 122.800 129.046 -6.246 1
1 189 . 17 1 1 A 18 18 ASN HA H 18 3.460 5.097 -1.637 1
1 194 . 17 1 1 A 18 18 ASN CA C 18 52.200 51.804 0.396 1
1 195 . 17 1 1 A 18 18 ASN CB C 18 39.600 42.809 -3.209 1
1 197 . 17 1 1 A 19 19 MET H H 19 8.260 8.708 -0.448 1
1 198 . 17 1 1 A 19 19 MET HA H 19 3.650 4.382 -0.732 1
1 206 . 17 1 1 A 19 19 MET CA C 19 61.100 57.515 3.585 1
1 207 . 17 1 1 A 19 19 MET CB C 19 32.900 33.267 -0.367 1
1 210 . 17 1 1 A 19 19 MET N N 19 119.100 118.961 0.139 1
1 211 . 17 1 1 A 20 20 LEU H H 20 8.350 7.761 0.589 1
1 212 . 17 1 1 A 20 20 LEU HA H 20 4.220 4.398 -0.178 1
1 222 . 17 1 1 A 20 20 LEU CA C 20 57.500 54.301 3.199 1
1 223 . 17 1 1 A 20 20 LEU CB C 20 41.200 40.786 0.414 1
1 227 . 17 1 1 A 20 20 LEU N N 20 120.400 120.943 -0.543 1
1 228 . 17 1 1 A 21 21 LEU H H 21 8.520 8.767 -0.247 1
1 229 . 17 1 1 A 21 21 LEU HA H 21 3.910 4.492 -0.582 1
1 239 . 17 1 1 A 21 21 LEU CA C 21 59.200 55.525 3.675 1
1 240 . 17 1 1 A 21 21 LEU CB C 21 42.400 44.123 -1.723 1
1 244 . 17 1 1 A 21 21 LEU N N 21 125.500 122.541 2.959 1
1 245 . 17 1 1 A 22 22 ARG H H 22 7.830 8.203 -0.373 1
1 246 . 17 1 1 A 22 22 ARG HA H 22 4.230 4.178 0.052 1
1 253 . 17 1 1 A 22 22 ARG CA C 22 57.300 57.874 -0.574 1
1 254 . 17 1 1 A 22 22 ARG CB C 22 28.800 30.453 -1.653 1
1 257 . 17 1 1 A 22 22 ARG N N 22 117.200 119.001 -1.801 1
1 258 . 17 1 1 A 23 23 PHE H H 23 9.380 8.028 1.352 1
1 259 . 17 1 1 A 23 23 PHE HA H 23 3.950 4.224 -0.274 1
1 267 . 17 1 1 A 23 23 PHE CA C 23 61.500 60.448 1.052 1
1 268 . 17 1 1 A 23 23 PHE CB C 23 40.200 37.381 2.819 1
1 272 . 17 1 1 A 23 23 PHE N N 23 118.500 117.732 0.768 1
1 273 . 17 1 1 A 24 24 THR H H 24 8.600 7.065 1.535 1
1 274 . 17 1 1 A 24 24 THR HA H 24 4.030 3.784 0.246 1
1 279 . 17 1 1 A 24 24 THR CA C 24 68.000 64.985 3.015 1
1 280 . 17 1 1 A 24 24 THR CB C 24 67.400 68.172 -0.772 1
1 282 . 17 1 1 A 24 24 THR N N 24 115.400 115.828 -0.428 1
1 283 . 17 1 1 A 25 25 LEU H H 25 8.200 7.821 0.379 1
1 284 . 17 1 1 A 25 25 LEU HA H 25 3.390 3.654 -0.264 1
1 294 . 17 1 1 A 25 25 LEU CA C 25 58.200 58.066 0.134 1
1 295 . 17 1 1 A 25 25 LEU CB C 25 42.200 41.653 0.547 1
1 299 . 17 1 1 A 25 25 LEU N N 25 124.500 121.866 2.634 1
1 300 . 17 1 1 A 26 26 GLY H H 26 8.520 8.253 0.267 1
1 301 . 17 1 1 A 26 26 GLY HA2 H 26 3.910 3.835 0.075 1
1 302 . 17 1 1 A 26 26 GLY HA3 H 26 3.570 3.991 -0.421 1
1 303 . 17 1 1 A 26 26 GLY CA C 26 48.400 47.166 1.234 1
1 304 . 17 1 1 A 26 26 GLY N N 26 104.600 105.136 -0.536 1
1 305 . 17 1 1 A 27 27 LYS H H 27 8.730 8.017 0.713 1
1 306 . 17 1 1 A 27 27 LYS HA H 27 2.970 3.725 -0.755 1
1 315 . 17 1 1 A 27 27 LYS CA C 27 59.100 58.201 0.899 1
1 316 . 17 1 1 A 27 27 LYS CB C 27 31.400 32.014 -0.614 1
1 320 . 17 1 1 A 27 27 LYS N N 27 121.200 121.592 -0.392 1
1 321 . 17 1 1 A 28 28 THR H H 28 7.420 7.791 -0.371 1
1 322 . 17 1 1 A 28 28 THR HA H 28 3.680 3.751 -0.071 1
1 327 . 17 1 1 A 28 28 THR CA C 28 67.100 66.453 0.647 1
1 328 . 17 1 1 A 28 28 THR CB C 28 67.700 68.343 -0.643 1
1 330 . 17 1 1 A 28 28 THR N N 28 114.500 116.561 -2.061 1
1 331 . 17 1 1 A 29 29 TYR H H 29 8.220 8.032 0.188 1
1 332 . 17 1 1 A 29 29 TYR HA H 29 4.380 4.343 0.037 1
1 339 . 17 1 1 A 29 29 TYR CA C 29 61.400 59.684 1.716 1
1 340 . 17 1 1 A 29 29 TYR CB C 29 37.100 37.341 -0.241 1
1 343 . 17 1 1 A 29 29 TYR N N 29 120.400 120.797 -0.397 1
1 344 . 17 1 1 A 30 30 ALA H H 30 8.500 8.215 0.285 1
1 345 . 17 1 1 A 30 30 ALA HA H 30 3.770 3.395 0.375 1
1 349 . 17 1 1 A 30 30 ALA CA C 30 56.000 54.998 1.002 1
1 350 . 17 1 1 A 30 30 ALA CB C 30 18.200 18.172 0.028 1
1 351 . 17 1 1 A 30 30 ALA N N 30 123.300 122.566 0.734 1
1 352 . 17 1 1 A 31 31 GLU H H 31 8.940 8.186 0.754 1
1 353 . 17 1 1 A 31 31 GLU HA H 31 4.180 4.157 0.023 1
1 358 . 17 1 1 A 31 31 GLU CA C 31 58.600 58.623 -0.023 1
1 359 . 17 1 1 A 31 31 GLU CB C 31 28.700 29.188 -0.488 1
1 361 . 17 1 1 A 31 31 GLU N N 31 120.700 119.393 1.307 1
1 362 . 17 1 1 A 32 32 HIS H H 32 7.340 7.380 -0.040 1
1 363 . 17 1 1 A 32 32 HIS HA H 32 4.740 4.561 0.179 1
1 368 . 17 1 1 A 32 32 HIS CA C 32 54.800 56.822 -2.022 1
1 369 . 17 1 1 A 32 32 HIS CB C 32 28.200 30.177 -1.977 1
1 372 . 17 1 1 A 32 32 HIS N N 32 115.300 119.689 -4.389 1
1 373 . 17 1 1 A 33 33 GLU H H 33 7.830 7.896 -0.066 1
1 374 . 17 1 1 A 33 33 GLU HA H 33 2.500 3.410 -0.910 1
1 379 . 17 1 1 A 33 33 GLU CA C 33 56.800 57.623 -0.823 1
1 380 . 17 1 1 A 33 33 GLU CB C 33 25.000 29.420 -4.420 1
1 382 . 17 1 1 A 33 33 GLU N N 33 112.200 118.432 -6.232 1
1 383 . 17 1 1 A 34 34 GLN H H 34 8.030 8.092 -0.062 1
1 384 . 17 1 1 A 34 34 GLN HA H 34 4.460 4.404 0.056 1
1 391 . 17 1 1 A 34 34 GLN CA C 34 53.200 54.302 -1.102 1
1 392 . 17 1 1 A 34 34 GLN CB C 34 26.500 27.742 -1.242 1
1 394 . 17 1 1 A 34 34 GLN N N 34 121.000 118.919 2.081 1
1 396 . 17 1 1 A 35 35 PHE H H 35 7.050 7.784 -0.734 1
1 397 . 17 1 1 A 35 35 PHE HA H 35 4.180 4.231 -0.051 1
1 405 . 17 1 1 A 35 35 PHE CA C 35 60.700 60.858 -0.158 1
1 406 . 17 1 1 A 35 35 PHE CB C 35 38.200 38.568 -0.368 1
1 410 . 17 1 1 A 35 35 PHE N N 35 118.600 122.888 -4.288 1
1 411 . 17 1 1 A 36 36 ASP H H 36 8.410 8.342 0.068 1
1 412 . 17 1 1 A 36 36 ASP HA H 36 4.200 4.369 -0.169 1
1 415 . 17 1 1 A 36 36 ASP CA C 36 56.700 57.662 -0.962 1
1 416 . 17 1 1 A 36 36 ASP CB C 36 38.800 41.451 -2.651 1
1 417 . 17 1 1 A 36 36 ASP N N 36 117.000 119.777 -2.777 1
1 418 . 17 1 1 A 37 37 ALA H H 37 7.540 7.706 -0.166 1
1 419 . 17 1 1 A 37 37 ALA HA H 37 3.860 4.066 -0.206 1
1 423 . 17 1 1 A 37 37 ALA CA C 37 52.900 54.568 -1.668 1
1 424 . 17 1 1 A 37 37 ALA CB C 37 16.300 18.058 -1.758 1
1 425 . 17 1 1 A 37 37 ALA N N 37 120.900 121.364 -0.464 1
1 426 . 17 1 1 A 38 38 ALA H H 38 7.700 7.954 -0.254 1
1 427 . 17 1 1 A 38 38 ALA HA H 38 4.210 3.975 0.235 1
1 431 . 17 1 1 A 38 38 ALA CA C 38 55.100 55.090 0.010 1
1 432 . 17 1 1 A 38 38 ALA CB C 38 20.500 18.126 2.374 1
1 433 . 17 1 1 A 38 38 ALA N N 38 117.600 120.250 -2.650 1
1 434 . 17 1 1 A 39 39 LEU H H 39 7.430 8.202 -0.772 1
1 435 . 17 1 1 A 39 39 LEU HA H 39 4.050 4.158 -0.108 1
1 445 . 17 1 1 A 39 39 LEU CA C 39 60.500 59.741 0.759 1
1 446 . 17 1 1 A 39 39 LEU CB C 39 39.200 40.260 -1.060 1
1 450 . 17 1 1 A 39 39 LEU N N 39 114.900 120.391 -5.491 1
1 451 . 17 1 1 A 40 40 PRO HA H 40 4.180 4.351 -0.171 1
1 458 . 17 1 1 A 40 40 PRO CA C 40 65.100 65.466 -0.366 1
1 459 . 17 1 1 A 40 40 PRO CB C 40 30.600 30.854 -0.254 1
1 462 . 17 1 1 A 41 41 HIS H H 41 6.570 7.096 -0.526 1
1 463 . 17 1 1 A 41 41 HIS HA H 41 4.740 4.174 0.566 1
1 468 . 17 1 1 A 41 41 HIS CA C 41 58.800 59.506 -0.706 1
1 469 . 17 1 1 A 41 41 HIS CB C 41 30.800 30.110 0.690 1
1 472 . 17 1 1 A 41 41 HIS N N 41 116.500 117.589 -1.089 1
1 473 . 17 1 1 A 42 42 LEU H H 42 8.140 8.744 -0.604 1
1 474 . 17 1 1 A 42 42 LEU HA H 42 4.120 3.942 0.178 1
1 484 . 17 1 1 A 42 42 LEU CA C 42 57.800 57.860 -0.060 1
1 485 . 17 1 1 A 42 42 LEU CB C 42 42.100 41.684 0.416 1
1 489 . 17 1 1 A 42 42 LEU N N 42 119.900 119.140 0.760 1
1 490 . 17 1 1 A 43 43 ARG H H 43 8.300 8.420 -0.120 1
1 491 . 17 1 1 A 43 43 ARG HA H 43 3.740 3.844 -0.104 1
1 498 . 17 1 1 A 43 43 ARG CA C 43 59.700 59.780 -0.080 1
1 499 . 17 1 1 A 43 43 ARG CB C 43 28.300 29.998 -1.698 1
1 502 . 17 1 1 A 43 43 ARG N N 43 116.400 119.804 -3.404 1
1 503 . 17 1 1 A 44 44 ALA H H 44 7.850 7.995 -0.145 1
1 504 . 17 1 1 A 44 44 ALA HA H 44 4.060 3.955 0.105 1
1 508 . 17 1 1 A 44 44 ALA CA C 44 54.600 54.984 -0.384 1
1 509 . 17 1 1 A 44 44 ALA CB C 44 17.000 17.805 -0.805 1
1 510 . 17 1 1 A 44 44 ALA N N 44 121.000 120.171 0.829 1
1 511 . 17 1 1 A 45 45 ALA H H 45 8.440 7.415 1.025 1
1 512 . 17 1 1 A 45 45 ALA HA H 45 4.270 4.347 -0.077 1
1 516 . 17 1 1 A 45 45 ALA CA C 45 56.200 55.077 1.123 1
1 517 . 17 1 1 A 45 45 ALA CB C 45 17.000 18.365 -1.365 1
1 518 . 17 1 1 A 45 45 ALA N N 45 121.200 120.942 0.258 1
1 519 . 17 1 1 A 46 46 LEU H H 46 7.310 8.423 -1.113 1
1 520 . 17 1 1 A 46 46 LEU HA H 46 4.010 4.095 -0.085 1
1 530 . 17 1 1 A 46 46 LEU CA C 46 55.900 57.848 -1.948 1
1 531 . 17 1 1 A 46 46 LEU CB C 46 42.200 41.337 0.863 1
1 535 . 17 1 1 A 46 46 LEU N N 46 116.800 119.427 -2.627 1
1 536 . 17 1 1 A 47 47 ASP H H 47 7.590 8.080 -0.490 1
1 537 . 17 1 1 A 47 47 ASP HA H 47 4.440 4.284 0.156 1
1 540 . 17 1 1 A 47 47 ASP CA C 47 55.500 56.915 -1.415 1
1 541 . 17 1 1 A 47 47 ASP CB C 47 39.200 40.282 -1.082 1
1 542 . 17 1 1 A 47 47 ASP N N 47 118.900 119.598 -0.698 1
1 543 . 17 1 1 A 48 48 PHE H H 48 7.490 7.509 -0.019 1
1 544 . 17 1 1 A 48 48 PHE HA H 48 4.450 4.334 0.116 1
1 552 . 17 1 1 A 48 48 PHE CA C 48 61.200 59.875 1.325 1
1 553 . 17 1 1 A 48 48 PHE CB C 48 39.600 39.817 -0.217 1
1 557 . 17 1 1 A 48 48 PHE N N 48 117.200 116.536 0.664 1
1 558 . 17 1 1 A 49 49 ASP H H 49 7.790 7.886 -0.096 1
1 559 . 17 1 1 A 49 49 ASP HA H 49 4.980 5.069 -0.089 1
1 562 . 17 1 1 A 49 49 ASP CA C 49 51.000 51.750 -0.750 1
1 563 . 17 1 1 A 49 49 ASP CB C 49 41.800 41.483 0.317 1
1 564 . 17 1 1 A 49 49 ASP N N 49 113.500 117.435 -3.935 1
1 565 . 17 1 1 A 50 50 PRO HA H 50 4.780 4.608 0.172 1
1 572 . 17 1 1 A 50 50 PRO CA C 50 64.000 64.244 -0.244 1
1 573 . 17 1 1 A 50 50 PRO CB C 50 32.000 31.887 0.113 1
1 576 . 17 1 1 A 51 51 THR H H 51 8.640 7.644 0.996 1
1 577 . 17 1 1 A 51 51 THR HA H 51 4.620 4.610 0.010 1
1 582 . 17 1 1 A 51 51 THR CA C 51 60.900 63.296 -2.396 1
1 583 . 17 1 1 A 51 51 THR CB C 51 68.600 68.151 0.449 1
1 585 . 17 1 1 A 51 51 THR N N 51 111.900 111.858 0.042 1
1 586 . 17 1 1 A 52 52 TYR H H 52 7.350 7.973 -0.623 1
1 587 . 17 1 1 A 52 52 TYR HA H 52 4.820 4.499 0.321 1
1 594 . 17 1 1 A 52 52 TYR CA C 52 56.100 55.983 0.117 1
1 595 . 17 1 1 A 52 52 TYR CB C 52 35.900 37.588 -1.688 1
1 598 . 17 1 1 A 52 52 TYR N N 52 122.600 125.092 -2.492 1
1 599 . 17 1 1 A 53 53 SER H H 53 8.480 7.802 0.678 1
1 600 . 17 1 1 A 53 53 SER HA H 53 4.170 1.334 2.836 1
1 603 . 17 1 1 A 53 53 SER CA C 53 62.900 60.276 2.624 1
1 604 . 17 1 1 A 53 53 SER CB C 53 62.900 61.791 1.109 1
1 605 . 17 1 1 A 53 53 SER N N 53 127.100 122.456 4.644 1
1 606 . 17 1 1 A 54 54 VAL H H 54 7.860 7.421 0.439 1
1 607 . 17 1 1 A 54 54 VAL HA H 54 3.850 3.647 0.203 1
1 615 . 17 1 1 A 54 54 VAL CA C 54 65.500 66.289 -0.789 1
1 616 . 17 1 1 A 54 54 VAL CB C 54 31.200 31.416 -0.216 1
1 619 . 17 1 1 A 54 54 VAL N N 54 116.800 122.256 -5.456 1
1 620 . 17 1 1 A 55 55 ALA H H 55 7.120 7.891 -0.771 1
1 621 . 17 1 1 A 55 55 ALA HA H 55 4.490 4.379 0.111 1
1 625 . 17 1 1 A 55 55 ALA CA C 55 55.700 55.145 0.555 1
1 626 . 17 1 1 A 55 55 ALA CB C 55 16.700 18.500 -1.800 1
1 627 . 17 1 1 A 55 55 ALA N N 55 123.000 121.257 1.743 1
1 628 . 17 1 1 A 56 56 TRP H H 56 7.340 7.556 -0.216 1
1 629 . 17 1 1 A 56 56 TRP HA H 56 4.160 4.556 -0.396 1
1 638 . 17 1 1 A 56 56 TRP CA C 56 60.700 60.016 0.684 1
1 639 . 17 1 1 A 56 56 TRP CB C 56 30.100 28.990 1.110 1
1 645 . 17 1 1 A 56 56 TRP N N 56 119.300 118.209 1.091 1
1 647 . 17 1 1 A 57 57 LYS H H 57 8.330 7.842 0.488 1
1 648 . 17 1 1 A 57 57 LYS HA H 57 3.970 4.220 -0.250 1
1 657 . 17 1 1 A 57 57 LYS CA C 57 59.300 59.442 -0.142 1
1 658 . 17 1 1 A 57 57 LYS CB C 57 34.400 32.079 2.321 1
1 662 . 17 1 1 A 57 57 LYS N N 57 117.700 120.298 -2.598 1
1 663 . 17 1 1 A 58 58 TRP H H 58 8.170 7.737 0.433 1
1 664 . 17 1 1 A 58 58 TRP HA H 58 4.230 4.608 -0.378 1
1 673 . 17 1 1 A 58 58 TRP CA C 58 61.600 60.010 1.590 1
1 674 . 17 1 1 A 58 58 TRP CB C 58 29.000 29.561 -0.561 1
1 680 . 17 1 1 A 58 58 TRP N N 58 119.100 120.259 -1.159 1
1 682 . 17 1 1 A 59 59 LEU H H 59 9.500 8.637 0.863 1
1 683 . 17 1 1 A 59 59 LEU HA H 59 4.090 4.132 -0.042 1
1 693 . 17 1 1 A 59 59 LEU CA C 59 58.500 58.047 0.453 1
1 694 . 17 1 1 A 59 59 LEU CB C 59 41.300 41.914 -0.614 1
1 698 . 17 1 1 A 59 59 LEU N N 59 127.300 121.618 5.682 1
1 699 . 17 1 1 A 60 60 GLY H H 60 8.480 7.822 0.658 1
1 700 . 17 1 1 A 60 60 GLY HA2 H 60 3.050 2.368 0.682 1
1 701 . 17 1 1 A 60 60 GLY HA3 H 60 2.250 3.157 -0.907 1
1 702 . 17 1 1 A 60 60 GLY CA C 60 47.500 46.474 1.026 1
1 703 . 17 1 1 A 60 60 GLY N N 60 105.100 106.521 -1.421 1
1 704 . 17 1 1 A 61 61 LYS H H 61 7.680 7.945 -0.265 1
1 705 . 17 1 1 A 61 61 LYS HA H 61 3.890 3.928 -0.038 1
1 714 . 17 1 1 A 61 61 LYS CA C 61 59.300 59.227 0.073 1
1 715 . 17 1 1 A 61 61 LYS CB C 61 32.000 31.990 0.010 1
1 719 . 17 1 1 A 61 61 LYS N N 61 118.600 122.239 -3.639 1
1 720 . 17 1 1 A 62 62 THR H H 62 8.030 7.986 0.044 1
1 721 . 17 1 1 A 62 62 THR HA H 62 3.780 4.096 -0.316 1
1 726 . 17 1 1 A 62 62 THR CA C 62 67.400 67.315 0.085 1
1 727 . 17 1 1 A 62 62 THR CB C 62 66.300 68.509 -2.209 1
1 729 . 17 1 1 A 62 62 THR N N 62 120.100 117.131 2.969 1
1 730 . 17 1 1 A 63 63 LEU H H 63 8.090 8.105 -0.015 1
1 731 . 17 1 1 A 63 63 LEU HA H 63 4.080 3.846 0.234 1
1 741 . 17 1 1 A 63 63 LEU CA C 63 57.800 57.762 0.038 1
1 742 . 17 1 1 A 63 63 LEU CB C 63 40.800 40.762 0.038 1
1 746 . 17 1 1 A 63 63 LEU N N 63 121.400 120.844 0.556 1
1 747 . 17 1 1 A 64 64 GLN H H 64 8.300 7.972 0.328 1
1 748 . 17 1 1 A 64 64 GLN HA H 64 3.400 3.829 -0.429 1
1 755 . 17 1 1 A 64 64 GLN CA C 64 59.300 59.288 0.012 1
1 756 . 17 1 1 A 64 64 GLN CB C 64 28.100 28.018 0.082 1
1 758 . 17 1 1 A 64 64 GLN N N 64 119.500 118.154 1.346 1
1 760 . 17 1 1 A 65 65 GLY H H 65 7.720 7.954 -0.234 1
1 761 . 17 1 1 A 65 65 GLY HA2 H 65 2.300 2.912 -0.612 1
1 762 . 17 1 1 A 65 65 GLY HA3 H 65 3.430 3.592 -0.162 1
1 763 . 17 1 1 A 65 65 GLY CA C 65 46.000 46.183 -0.183 1
1 764 . 17 1 1 A 65 65 GLY N N 65 110.300 106.670 3.630 1
1 765 . 17 1 1 A 66 66 GLN H H 66 7.250 7.318 -0.068 1
1 766 . 17 1 1 A 66 66 GLN HA H 66 4.270 4.403 -0.133 1
1 773 . 17 1 1 A 66 66 GLN CA C 66 55.900 56.815 -0.915 1
1 774 . 17 1 1 A 66 66 GLN CB C 66 30.000 29.188 0.812 1
1 776 . 17 1 1 A 66 66 GLN N N 66 117.500 120.132 -2.632 1
1 778 . 17 1 1 A 67 67 GLY H H 67 7.800 7.588 0.212 1
1 779 . 17 1 1 A 67 67 GLY HA2 H 67 4.230 4.047 0.183 1
1 780 . 17 1 1 A 67 67 GLY HA3 H 67 3.660 4.058 -0.398 1
1 781 . 17 1 1 A 67 67 GLY CA C 67 44.800 44.942 -0.142 1
1 782 . 17 1 1 A 67 67 GLY N N 67 107.400 107.520 -0.120 1
1 783 . 17 1 1 A 68 68 ASP H H 68 8.100 8.043 0.057 1
1 784 . 17 1 1 A 68 68 ASP HA H 68 4.780 4.834 -0.054 1
1 787 . 17 1 1 A 68 68 ASP CA C 68 51.100 52.651 -1.551 1
1 788 . 17 1 1 A 68 68 ASP CB C 68 38.800 40.836 -2.036 1
1 789 . 17 1 1 A 68 68 ASP N N 68 121.600 120.479 1.121 1
1 790 . 17 1 1 A 69 69 ARG H H 69 7.770 8.457 -0.687 1
1 791 . 17 1 1 A 69 69 ARG HA H 69 3.650 3.848 -0.198 1
1 798 . 17 1 1 A 69 69 ARG CA C 69 59.800 59.439 0.361 1
1 799 . 17 1 1 A 69 69 ARG CB C 69 28.700 29.842 -1.142 1
1 802 . 17 1 1 A 69 69 ARG N N 69 123.700 126.469 -2.769 1
1 803 . 17 1 1 A 70 70 ALA H H 70 8.490 8.188 0.302 1
1 804 . 17 1 1 A 70 70 ALA HA H 70 4.040 4.065 -0.025 1
1 808 . 17 1 1 A 70 70 ALA CA C 70 54.700 54.862 -0.162 1
1 809 . 17 1 1 A 70 70 ALA CB C 70 17.800 18.431 -0.631 1
1 810 . 17 1 1 A 70 70 ALA N N 70 122.400 121.772 0.628 1
1 811 . 17 1 1 A 71 71 GLY H H 71 8.540 8.538 0.002 1
1 812 . 17 1 1 A 71 71 GLY HA2 H 71 3.570 3.735 -0.165 1
1 813 . 17 1 1 A 71 71 GLY HA3 H 71 3.710 3.743 -0.033 1
1 814 . 17 1 1 A 71 71 GLY CA C 71 47.100 46.824 0.276 1
1 815 . 17 1 1 A 71 71 GLY N N 71 109.100 105.183 3.917 1
1 816 . 17 1 1 A 72 72 ALA H H 72 8.060 7.634 0.426 1
1 817 . 17 1 1 A 72 72 ALA HA H 72 3.310 3.400 -0.090 1
1 821 . 17 1 1 A 72 72 ALA CA C 72 55.200 54.476 0.724 1
1 822 . 17 1 1 A 72 72 ALA CB C 72 17.200 18.390 -1.190 1
1 823 . 17 1 1 A 72 72 ALA N N 72 126.600 124.716 1.884 1
1 824 . 17 1 1 A 73 73 ARG H H 73 7.840 7.663 0.177 1
1 825 . 17 1 1 A 73 73 ARG HA H 73 3.760 4.284 -0.524 1
1 832 . 17 1 1 A 73 73 ARG CA C 73 59.700 59.059 0.641 1
1 833 . 17 1 1 A 73 73 ARG CB C 73 29.800 30.111 -0.311 1
1 836 . 17 1 1 A 73 73 ARG N N 73 116.300 117.064 -0.764 1
1 837 . 17 1 1 A 74 74 GLN H H 74 7.690 8.121 -0.431 1
1 838 . 17 1 1 A 74 74 GLN HA H 74 3.970 4.100 -0.130 1
1 845 . 17 1 1 A 74 74 GLN CA C 74 58.800 58.463 0.337 1
1 846 . 17 1 1 A 74 74 GLN CB C 74 28.400 27.749 0.651 1
1 848 . 17 1 1 A 74 74 GLN N N 74 116.500 117.765 -1.265 1
1 850 . 17 1 1 A 75 75 ALA H H 75 8.160 7.415 0.745 1
1 851 . 17 1 1 A 75 75 ALA HA H 75 4.350 4.034 0.316 1
1 855 . 17 1 1 A 75 75 ALA CA C 75 54.400 54.877 -0.477 1
1 856 . 17 1 1 A 75 75 ALA CB C 75 17.600 17.922 -0.322 1
1 857 . 17 1 1 A 75 75 ALA N N 75 121.900 121.932 -0.032 1
1 858 . 17 1 1 A 76 76 TRP H H 76 8.640 7.762 0.878 1
1 859 . 17 1 1 A 76 76 TRP HA H 76 4.640 4.443 0.197 1
1 868 . 17 1 1 A 76 76 TRP CA C 76 58.200 60.345 -2.145 1
1 869 . 17 1 1 A 76 76 TRP CB C 76 27.600 29.652 -2.052 1
1 875 . 17 1 1 A 76 76 TRP N N 76 118.400 118.576 -0.176 1
1 877 . 17 1 1 A 77 77 GLU H H 77 9.050 8.457 0.593 1
1 878 . 17 1 1 A 77 77 GLU HA H 77 4.010 3.929 0.081 1
1 883 . 17 1 1 A 77 77 GLU CA C 77 58.900 59.902 -1.002 1
1 884 . 17 1 1 A 77 77 GLU CB C 77 28.100 29.261 -1.161 1
1 886 . 17 1 1 A 77 77 GLU N N 77 121.000 119.810 1.190 1
1 887 . 17 1 1 A 78 78 SER H H 78 8.280 7.890 0.390 1
1 888 . 17 1 1 A 78 78 SER HA H 78 3.800 4.186 -0.386 1
1 891 . 17 1 1 A 78 78 SER CA C 78 62.400 60.863 1.537 1
1 892 . 17 1 1 A 78 78 SER CB C 78 68.000 62.636 5.364 1
1 893 . 17 1 1 A 78 78 SER N N 78 120.000 115.588 4.412 1
1 894 . 17 1 1 A 79 79 GLY H H 79 8.580 8.534 0.046 1
1 895 . 17 1 1 A 79 79 GLY HA2 H 79 3.470 3.644 -0.174 1
1 896 . 17 1 1 A 79 79 GLY HA3 H 79 3.580 3.911 -0.331 1
1 897 . 17 1 1 A 79 79 GLY CA C 79 47.000 46.891 0.109 1
1 898 . 17 1 1 A 79 79 GLY N N 79 111.000 108.445 2.555 1
1 899 . 17 1 1 A 80 80 LEU H H 80 8.640 8.278 0.362 1
1 900 . 17 1 1 A 80 80 LEU HA H 80 3.830 4.121 -0.291 1
1 910 . 17 1 1 A 80 80 LEU CA C 80 58.200 57.705 0.495 1
1 911 . 17 1 1 A 80 80 LEU CB C 80 41.800 41.486 0.314 1
1 915 . 17 1 1 A 80 80 LEU N N 80 125.600 123.277 2.323 1
1 916 . 17 1 1 A 81 81 ALA H H 81 7.400 8.220 -0.820 1
1 917 . 17 1 1 A 81 81 ALA HA H 81 4.140 3.952 0.188 1
1 921 . 17 1 1 A 81 81 ALA CA C 81 54.600 55.236 -0.636 1
1 922 . 17 1 1 A 81 81 ALA CB C 81 17.500 17.939 -0.439 1
1 923 . 17 1 1 A 81 81 ALA N N 81 120.400 120.534 -0.134 1
1 924 . 17 1 1 A 82 82 ALA H H 82 7.640 7.481 0.159 1
1 925 . 17 1 1 A 82 82 ALA HA H 82 4.160 3.805 0.355 1
1 929 . 17 1 1 A 82 82 ALA CA C 82 54.700 54.704 -0.004 1
1 930 . 17 1 1 A 82 82 ALA CB C 82 17.200 17.629 -0.429 1
1 931 . 17 1 1 A 82 82 ALA N N 82 120.900 120.004 0.896 1
1 932 . 17 1 1 A 83 83 ALA H H 83 8.910 7.623 1.287 1
1 933 . 17 1 1 A 83 83 ALA HA H 83 4.260 4.447 -0.187 1
1 937 . 17 1 1 A 83 83 ALA CA C 83 54.900 55.423 -0.523 1
1 938 . 17 1 1 A 83 83 ALA CB C 83 18.600 18.284 0.316 1
1 939 . 17 1 1 A 83 83 ALA N N 83 122.000 120.706 1.294 1
1 940 . 17 1 1 A 84 84 GLN H H 84 8.770 8.531 0.239 1
1 941 . 17 1 1 A 84 84 GLN HA H 84 3.940 4.074 -0.134 1
1 948 . 17 1 1 A 84 84 GLN CA C 84 58.800 59.353 -0.553 1
1 949 . 17 1 1 A 84 84 GLN CB C 84 28.200 28.433 -0.233 1
1 951 . 17 1 1 A 84 84 GLN N N 84 118.400 118.757 -0.357 1
1 953 . 17 1 1 A 85 85 SER H H 85 7.920 8.286 -0.366 1
1 954 . 17 1 1 A 85 85 SER HA H 85 4.250 4.061 0.189 1
1 957 . 17 1 1 A 85 85 SER CA C 85 61.200 61.907 -0.707 1
1 958 . 17 1 1 A 85 85 SER CB C 85 62.700 62.904 -0.204 1
1 959 . 17 1 1 A 85 85 SER N N 85 115.200 116.185 -0.985 1
1 960 . 17 1 1 A 86 86 ARG H H 86 7.590 7.344 0.246 1
1 961 . 17 1 1 A 86 86 ARG HA H 86 4.380 4.433 -0.053 1
1 968 . 17 1 1 A 86 86 ARG CA C 86 55.800 55.861 -0.061 1
1 969 . 17 1 1 A 86 86 ARG CB C 86 31.200 31.086 0.114 1
1 972 . 17 1 1 A 86 86 ARG N N 86 117.800 118.460 -0.660 1
1 973 . 17 1 1 A 87 87 GLY H H 87 7.790 7.895 -0.105 1
1 974 . 17 1 1 A 87 87 GLY HA2 H 87 3.870 3.973 -0.103 1
1 975 . 17 1 1 A 87 87 GLY HA3 H 87 4.080 3.977 0.103 1
1 976 . 17 1 1 A 87 87 GLY CA C 87 46.100 46.524 -0.424 1
1 977 . 17 1 1 A 87 87 GLY N N 87 109.100 108.965 0.135 1
1 978 . 17 1 1 A 88 88 ASP H H 88 8.210 8.448 -0.238 1
1 979 . 17 1 1 A 88 88 ASP HA H 88 4.830 4.756 0.074 1
1 982 . 17 1 1 A 88 88 ASP CA C 88 52.100 52.594 -0.494 1
1 983 . 17 1 1 A 88 88 ASP CB C 88 39.000 39.595 -0.595 1
1 984 . 17 1 1 A 88 88 ASP N N 88 120.200 121.210 -1.010 1
1 985 . 17 1 1 A 89 89 GLN H H 89 8.110 8.082 0.028 1
1 986 . 17 1 1 A 89 89 GLN HA H 89 3.840 4.069 -0.229 1
1 993 . 17 1 1 A 89 89 GLN CA C 89 58.500 59.046 -0.546 1
1 994 . 17 1 1 A 89 89 GLN CB C 89 28.000 28.312 -0.312 1
1 996 . 17 1 1 A 89 89 GLN N N 89 122.400 125.105 -2.705 1
1 998 . 17 1 1 A 90 90 GLN H H 90 8.720 7.941 0.779 1
1 999 . 17 1 1 A 90 90 GLN HA H 90 4.000 4.068 -0.068 1
1 1006 . 17 1 1 A 90 90 GLN CA C 90 58.800 58.686 0.114 1
1 1007 . 17 1 1 A 90 90 GLN CB C 90 27.800 28.442 -0.642 1
1 1009 . 17 1 1 A 90 90 GLN N N 90 119.100 120.165 -1.065 1
1 1011 . 17 1 1 A 91 91 VAL H H 91 7.170 7.969 -0.799 1
1 1012 . 17 1 1 A 91 91 VAL HA H 91 3.660 3.635 0.025 1
1 1020 . 17 1 1 A 91 91 VAL CA C 91 65.500 66.256 -0.756 1
1 1021 . 17 1 1 A 91 91 VAL CB C 91 31.300 31.639 -0.339 1
1 1024 . 17 1 1 A 91 91 VAL N N 91 119.900 119.506 0.394 1
1 1025 . 17 1 1 A 92 92 VAL H H 92 7.880 7.910 -0.030 1
1 1026 . 17 1 1 A 92 92 VAL HA H 92 3.240 3.558 -0.318 1
1 1034 . 17 1 1 A 92 92 VAL CA C 92 67.300 67.026 0.274 1
1 1035 . 17 1 1 A 92 92 VAL CB C 92 31.500 31.560 -0.060 1
1 1038 . 17 1 1 A 92 92 VAL N N 92 119.900 120.691 -0.791 1
1 1039 . 17 1 1 A 93 93 LYS H H 93 7.480 8.079 -0.599 1
1 1040 . 17 1 1 A 93 93 LYS HA H 93 3.920 3.844 0.076 1
1 1049 . 17 1 1 A 93 93 LYS CA C 93 59.300 60.206 -0.906 1
1 1050 . 17 1 1 A 93 93 LYS CB C 93 31.900 31.949 -0.049 1
1 1054 . 17 1 1 A 93 93 LYS N N 93 116.000 118.478 -2.478 1
1 1055 . 17 1 1 A 94 94 GLU H H 94 7.480 8.024 -0.544 1
1 1056 . 17 1 1 A 94 94 GLU HA H 94 3.580 3.961 -0.381 1
1 1061 . 17 1 1 A 94 94 GLU CA C 94 58.600 58.993 -0.393 1
1 1062 . 17 1 1 A 94 94 GLU CB C 94 29.500 29.327 0.173 1
1 1064 . 17 1 1 A 94 94 GLU N N 94 117.500 120.446 -2.946 1
1 1065 . 17 1 1 A 95 95 LEU H H 95 8.370 8.548 -0.178 1
1 1066 . 17 1 1 A 95 95 LEU HA H 95 3.530 4.121 -0.591 1
1 1076 . 17 1 1 A 95 95 LEU CA C 95 57.600 57.757 -0.157 1
1 1077 . 17 1 1 A 95 95 LEU CB C 95 40.900 41.140 -0.240 1
1 1081 . 17 1 1 A 95 95 LEU N N 95 117.500 120.025 -2.525 1
1 1082 . 17 1 1 A 96 96 GLN H H 96 8.330 8.196 0.134 1
1 1083 . 17 1 1 A 96 96 GLN HA H 96 3.980 4.034 -0.054 1
1 1090 . 17 1 1 A 96 96 GLN CA C 96 58.900 58.416 0.484 1
1 1091 . 17 1 1 A 96 96 GLN CB C 96 28.100 28.533 -0.433 1
1 1093 . 17 1 1 A 96 96 GLN N N 96 117.600 118.536 -0.936 1
1 1095 . 17 1 1 A 97 97 VAL H H 97 7.450 7.269 0.181 1
1 1096 . 17 1 1 A 97 97 VAL HA H 97 3.450 3.437 0.013 1
1 1104 . 17 1 1 A 97 97 VAL CA C 97 66.700 65.976 0.724 1
1 1105 . 17 1 1 A 97 97 VAL CB C 97 31.000 31.482 -0.482 1
1 1108 . 17 1 1 A 97 97 VAL N N 97 120.300 120.355 -0.055 1
1 1109 . 17 1 1 A 98 98 PHE H H 98 7.460 6.936 0.524 1
1 1110 . 17 1 1 A 98 98 PHE HA H 98 3.980 3.851 0.129 1
1 1118 . 17 1 1 A 98 98 PHE CA C 98 58.700 60.694 -1.994 1
1 1119 . 17 1 1 A 98 98 PHE CB C 98 35.500 37.244 -1.744 1
1 1123 . 17 1 1 A 98 98 PHE N N 98 119.100 117.818 1.282 1
1 1124 . 17 1 1 A 99 99 LEU H H 99 8.330 7.994 0.336 1
1 1125 . 17 1 1 A 99 99 LEU HA H 99 4.090 3.934 0.156 1
1 1135 . 17 1 1 A 99 99 LEU CA C 99 57.800 57.727 0.073 1
1 1136 . 17 1 1 A 99 99 LEU CB C 99 41.800 41.347 0.453 1
1 1140 . 17 1 1 A 99 99 LEU N N 99 119.300 119.795 -0.495 1
1 1141 . 17 1 1 A 100 100 ARG H H 100 8.350 7.717 0.633 1
1 1142 . 17 1 1 A 100 100 ARG HA H 100 4.110 3.984 0.126 1
1 1149 . 17 1 1 A 100 100 ARG CA C 100 59.300 59.532 -0.232 1
1 1150 . 17 1 1 A 100 100 ARG CB C 100 29.900 30.037 -0.137 1
1 1153 . 17 1 1 A 100 100 ARG N N 100 121.900 119.793 2.107 1
1 1154 . 17 1 1 A 101 101 ARG H H 101 8.110 7.550 0.560 1
1 1155 . 17 1 1 A 101 101 ARG HA H 101 4.020 4.045 -0.025 1
1 1162 . 17 1 1 A 101 101 ARG CA C 101 57.600 58.882 -1.282 1
1 1163 . 17 1 1 A 101 101 ARG CB C 101 30.200 29.805 0.395 1
1 1166 . 17 1 1 A 101 101 ARG N N 101 120.500 119.772 0.728 1
1 1167 . 17 1 1 A 102 102 LEU H H 102 7.890 8.332 -0.442 1
1 1168 . 17 1 1 A 102 102 LEU HA H 102 4.150 4.205 -0.055 1
1 1178 . 17 1 1 A 102 102 LEU CA C 102 57.600 57.722 -0.122 1
1 1179 . 17 1 1 A 102 102 LEU CB C 102 42.300 41.488 0.812 1
1 1183 . 17 1 1 A 102 102 LEU N N 102 119.900 120.996 -1.096 1
1 1184 . 17 1 1 A 103 103 ALA H H 103 7.880 8.584 -0.704 1
1 1185 . 17 1 1 A 103 103 ALA HA H 103 4.170 3.946 0.224 1
1 1189 . 17 1 1 A 103 103 ALA CA C 103 54.700 55.332 -0.632 1
1 1190 . 17 1 1 A 103 103 ALA CB C 103 17.800 18.259 -0.459 1
1 1191 . 17 1 1 A 103 103 ALA N N 103 120.000 120.951 -0.951 1
1 1192 . 17 1 1 A 104 104 ARG H H 104 8.060 8.053 0.007 1
1 1193 . 17 1 1 A 104 104 ARG HA H 104 4.130 4.132 -0.002 1
1 1200 . 17 1 1 A 104 104 ARG CA C 104 58.500 59.708 -1.208 1
1 1201 . 17 1 1 A 104 104 ARG CB C 104 29.800 29.918 -0.118 1
1 1204 . 17 1 1 A 104 104 ARG N N 104 119.800 117.668 2.132 1
1 1205 . 17 1 1 A 105 105 GLU H H 105 8.050 7.970 0.080 1
1 1206 . 17 1 1 A 105 105 GLU HA H 105 4.020 4.148 -0.128 1
1 1211 . 17 1 1 A 105 105 GLU CA C 105 58.500 59.173 -0.673 1
1 1212 . 17 1 1 A 105 105 GLU CB C 105 28.900 29.893 -0.993 1
1 1214 . 17 1 1 A 105 105 GLU N N 105 119.700 120.025 -0.325 1
1 1215 . 17 1 1 A 106 106 ASP H H 106 8.360 8.388 -0.028 1
1 1216 . 17 1 1 A 106 106 ASP HA H 106 4.380 4.515 -0.135 1
1 1219 . 17 1 1 A 106 106 ASP CA C 106 56.500 57.716 -1.216 1
1 1220 . 17 1 1 A 106 106 ASP CB C 106 40.500 41.238 -0.738 1
1 1221 . 17 1 1 A 106 106 ASP N N 106 119.800 120.048 -0.248 1
1 1222 . 17 1 1 A 107 107 ALA H H 107 7.910 8.294 -0.384 1
1 1223 . 17 1 1 A 107 107 ALA HA H 107 4.150 4.197 -0.047 1
1 1227 . 17 1 1 A 107 107 ALA CA C 107 54.200 54.944 -0.744 1
1 1228 . 17 1 1 A 107 107 ALA CB C 107 18.100 18.439 -0.339 1
1 1229 . 17 1 1 A 107 107 ALA N N 107 121.900 121.425 0.475 1
1 1230 . 17 1 1 A 108 108 LEU H H 108 7.840 8.048 -0.208 1
1 1231 . 17 1 1 A 108 108 LEU HA H 108 4.120 4.117 0.003 1
1 1241 . 17 1 1 A 108 108 LEU CA C 108 56.400 57.608 -1.208 1
1 1242 . 17 1 1 A 108 108 LEU CB C 108 42.000 41.667 0.333 1
1 1246 . 17 1 1 A 108 108 LEU N N 108 119.000 119.975 -0.975 1
1 1247 . 17 1 1 A 109 109 GLU H H 109 7.860 7.888 -0.028 1
1 1248 . 17 1 1 A 109 109 GLU HA H 109 4.090 4.323 -0.233 1
1 1253 . 17 1 1 A 109 109 GLU CA C 109 57.000 57.531 -0.531 1
1 1254 . 17 1 1 A 109 109 GLU CB C 109 29.100 31.023 -1.923 1
1 1256 . 17 1 1 A 109 109 GLU N N 109 118.600 117.461 1.139 1
1 1257 . 17 1 1 A 110 110 HIS H H 110 8.140 8.058 0.082 1
1 1258 . 17 1 1 A 110 110 HIS HA H 110 4.560 4.980 -0.420 1
1 1261 . 17 1 1 A 110 110 HIS CA C 110 55.600 55.295 0.305 1
1 1262 . 17 1 1 A 110 110 HIS CB C 110 28.300 30.014 -1.714 1
1 1263 . 17 1 1 A 110 110 HIS N N 110 117.000 116.947 0.053 1
1 1264 . 17 1 1 A 111 111 HIS H H 111 8.340 7.896 0.444 1
1 1265 . 17 1 1 A 111 111 HIS HA H 111 4.600 4.147 0.453 1
1 1268 . 17 1 1 A 111 111 HIS CA C 111 55.500 60.056 -4.556 1
1 1269 . 17 1 1 A 111 111 HIS CB C 111 28.500 30.630 -2.130 1
1 1270 . 17 1 1 A 111 111 HIS N N 111 117.800 120.330 -2.530 1
1 1271 . 17 1 1 A 112 112 HIS H H 112 8.530 8.240 0.290 1
1 1272 . 17 1 1 A 112 112 HIS HA H 112 4.620 4.671 -0.051 1
1 1275 . 17 1 1 A 112 112 HIS CA C 112 55.300 54.298 1.002 1
1 1276 . 17 1 1 A 112 112 HIS CB C 112 28.800 30.003 -1.203 1
1 1277 . 17 1 1 A 112 112 HIS N N 112 119.000 117.041 1.959 1
1 1278 . 17 1 1 A 113 113 HIS H H 113 8.660 8.939 -0.279 1
1 1279 . 17 1 1 A 113 113 HIS HA H 113 4.640 4.697 -0.057 1
1 1282 . 17 1 1 A 113 113 HIS CA C 113 55.200 54.969 0.231 1
1 1283 . 17 1 1 A 113 113 HIS CB C 113 28.900 30.512 -1.612 1
1 1284 . 17 1 1 A 113 113 HIS N N 113 120.000 124.352 -4.352 1
1 1285 . 17 1 1 A 114 114 HIS H H 114 8.630 8.244 0.386 1
1 1286 . 17 1 1 A 114 114 HIS HA H 114 4.610 4.405 0.205 1
1 1289 . 17 1 1 A 114 114 HIS CA C 114 55.200 56.156 -0.956 1
1 1290 . 17 1 1 A 114 114 HIS CB C 114 28.900 29.858 -0.958 1
1 1291 . 17 1 1 A 114 114 HIS N N 114 120.800 122.959 -2.159 1
1 9 . 18 1 1 A 2 2 GLN H H 2 8.840 8.583 0.257 1
1 10 . 18 1 1 A 2 2 GLN HA H 2 4.310 4.492 -0.182 1
1 17 . 18 1 1 A 2 2 GLN CA C 2 55.600 54.669 0.931 1
1 18 . 18 1 1 A 2 2 GLN CB C 2 29.900 29.922 -0.022 1
1 20 . 18 1 1 A 2 2 GLN N N 2 124.000 124.726 -0.726 1
1 22 . 18 1 1 A 3 3 ALA H H 3 8.780 8.363 0.417 1
1 23 . 18 1 1 A 3 3 ALA HA H 3 4.240 4.832 -0.592 1
1 27 . 18 1 1 A 3 3 ALA CA C 3 52.600 51.158 1.442 1
1 28 . 18 1 1 A 3 3 ALA CB C 3 18.800 22.416 -3.616 1
1 29 . 18 1 1 A 3 3 ALA N N 3 127.500 121.093 6.407 1
1 30 . 18 1 1 A 4 4 ILE H H 4 8.490 8.884 -0.394 1
1 31 . 18 1 1 A 4 4 ILE HA H 4 3.820 3.702 0.118 1
1 41 . 18 1 1 A 4 4 ILE CA C 4 63.700 64.949 -1.249 1
1 42 . 18 1 1 A 4 4 ILE CB C 4 37.800 37.336 0.464 1
1 46 . 18 1 1 A 4 4 ILE N N 4 120.900 122.211 -1.311 1
1 47 . 18 1 1 A 5 5 THR H H 5 7.730 8.046 -0.316 1
1 48 . 18 1 1 A 5 5 THR HA H 5 3.540 3.747 -0.207 1
1 53 . 18 1 1 A 5 5 THR CA C 5 64.700 65.574 -0.874 1
1 54 . 18 1 1 A 5 5 THR CB C 5 66.700 68.112 -1.412 1
1 56 . 18 1 1 A 5 5 THR N N 5 110.700 113.178 -2.478 1
1 57 . 18 1 1 A 6 6 GLU H H 6 7.220 8.444 -1.224 1
1 58 . 18 1 1 A 6 6 GLU HA H 6 3.940 4.108 -0.168 1
1 63 . 18 1 1 A 6 6 GLU CA C 6 59.200 59.142 0.058 1
1 64 . 18 1 1 A 6 6 GLU CB C 6 28.900 29.035 -0.135 1
1 66 . 18 1 1 A 6 6 GLU N N 6 120.400 120.434 -0.034 1
1 67 . 18 1 1 A 7 7 ARG H H 7 7.930 7.680 0.250 1
1 68 . 18 1 1 A 7 7 ARG HA H 7 3.950 4.067 -0.117 1
1 75 . 18 1 1 A 7 7 ARG CA C 7 59.100 58.821 0.279 1
1 76 . 18 1 1 A 7 7 ARG CB C 7 30.100 29.618 0.482 1
1 79 . 18 1 1 A 7 7 ARG N N 7 119.900 119.332 0.568 1
1 80 . 18 1 1 A 8 8 LEU H H 8 8.130 8.066 0.064 1
1 81 . 18 1 1 A 8 8 LEU HA H 8 4.150 3.887 0.263 1
1 91 . 18 1 1 A 8 8 LEU CA C 8 57.800 57.968 -0.168 1
1 92 . 18 1 1 A 8 8 LEU CB C 8 41.000 40.959 0.041 1
1 96 . 18 1 1 A 8 8 LEU N N 8 119.600 121.384 -1.784 1
1 97 . 18 1 1 A 9 9 GLU H H 9 8.530 8.529 0.001 1
1 98 . 18 1 1 A 9 9 GLU HA H 9 4.150 4.010 0.140 1
1 103 . 18 1 1 A 9 9 GLU CA C 9 59.100 59.580 -0.480 1
1 104 . 18 1 1 A 9 9 GLU CB C 9 28.300 29.337 -1.037 1
1 106 . 18 1 1 A 9 9 GLU N N 9 118.200 118.657 -0.457 1
1 107 . 18 1 1 A 10 10 ALA H H 10 7.800 8.302 -0.502 1
1 108 . 18 1 1 A 10 10 ALA HA H 10 4.230 4.078 0.152 1
1 112 . 18 1 1 A 10 10 ALA CA C 10 55.000 54.931 0.069 1
1 113 . 18 1 1 A 10 10 ALA CB C 10 17.200 18.354 -1.154 1
1 114 . 18 1 1 A 10 10 ALA N N 10 122.900 122.048 0.852 1
1 115 . 18 1 1 A 11 11 MET H H 11 7.700 7.844 -0.144 1
1 116 . 18 1 1 A 11 11 MET HA H 11 4.040 4.167 -0.127 1
1 124 . 18 1 1 A 11 11 MET CA C 11 58.900 58.116 0.784 1
1 125 . 18 1 1 A 11 11 MET CB C 11 31.800 32.376 -0.576 1
1 128 . 18 1 1 A 11 11 MET N N 11 118.800 116.884 1.916 1
1 129 . 18 1 1 A 12 12 LEU H H 12 8.070 7.993 0.077 1
1 130 . 18 1 1 A 12 12 LEU HA H 12 4.870 4.030 0.840 1
1 140 . 18 1 1 A 12 12 LEU CA C 12 56.900 57.443 -0.543 1
1 141 . 18 1 1 A 12 12 LEU CB C 12 41.900 41.370 0.530 1
1 145 . 18 1 1 A 12 12 LEU N N 12 122.500 121.168 1.332 1
1 146 . 18 1 1 A 13 13 ALA H H 13 8.150 7.500 0.650 1
1 147 . 18 1 1 A 13 13 ALA HA H 13 4.130 4.080 0.050 1
1 151 . 18 1 1 A 13 13 ALA CA C 13 54.100 55.075 -0.975 1
1 152 . 18 1 1 A 13 13 ALA CB C 13 17.700 18.006 -0.306 1
1 153 . 18 1 1 A 13 13 ALA N N 13 122.300 122.203 0.097 1
1 154 . 18 1 1 A 14 14 GLN H H 14 7.560 7.981 -0.421 1
1 155 . 18 1 1 A 14 14 GLN HA H 14 4.340 4.349 -0.009 1
1 162 . 18 1 1 A 14 14 GLN CA C 14 55.500 55.899 -0.399 1
1 163 . 18 1 1 A 14 14 GLN CB C 14 28.700 28.981 -0.281 1
1 165 . 18 1 1 A 14 14 GLN N N 14 115.100 115.090 0.010 1
1 167 . 18 1 1 A 15 15 GLY H H 15 7.870 7.873 -0.003 1
1 168 . 18 1 1 A 15 15 GLY HA2 H 15 3.720 3.951 -0.231 1
1 169 . 18 1 1 A 15 15 GLY HA3 H 15 4.430 3.958 0.472 1
1 170 . 18 1 1 A 15 15 GLY CA C 15 45.100 45.726 -0.626 1
1 171 . 18 1 1 A 15 15 GLY N N 15 106.800 107.724 -0.924 1
1 172 . 18 1 1 A 16 16 THR H H 16 7.980 8.058 -0.078 1
1 173 . 18 1 1 A 16 16 THR HA H 16 4.190 4.394 -0.204 1
1 178 . 18 1 1 A 16 16 THR CA C 16 62.600 61.280 1.320 1
1 179 . 18 1 1 A 16 16 THR CB C 16 68.800 67.836 0.964 1
1 181 . 18 1 1 A 16 16 THR N N 16 120.800 115.476 5.324 1
1 182 . 18 1 1 A 17 17 ASP H H 17 8.110 7.828 0.282 1
1 183 . 18 1 1 A 17 17 ASP HA H 17 4.830 4.469 0.361 1
1 186 . 18 1 1 A 17 17 ASP CA C 17 53.300 54.502 -1.202 1
1 187 . 18 1 1 A 17 17 ASP CB C 17 42.700 41.304 1.396 1
1 188 . 18 1 1 A 17 17 ASP N N 17 122.800 123.646 -0.846 1
1 189 . 18 1 1 A 18 18 ASN HA H 18 3.460 4.978 -1.518 1
1 194 . 18 1 1 A 18 18 ASN CA C 18 52.200 52.708 -0.508 1
1 195 . 18 1 1 A 18 18 ASN CB C 18 39.600 40.885 -1.285 1
1 197 . 18 1 1 A 19 19 MET H H 19 8.260 7.990 0.270 1
1 198 . 18 1 1 A 19 19 MET HA H 19 3.650 4.059 -0.409 1
1 206 . 18 1 1 A 19 19 MET CA C 19 61.100 58.265 2.835 1
1 207 . 18 1 1 A 19 19 MET CB C 19 32.900 30.224 2.676 1
1 210 . 18 1 1 A 19 19 MET N N 19 119.100 116.398 2.702 1
1 211 . 18 1 1 A 20 20 LEU H H 20 8.350 8.541 -0.191 1
1 212 . 18 1 1 A 20 20 LEU HA H 20 4.220 4.631 -0.411 1
1 222 . 18 1 1 A 20 20 LEU CA C 20 57.500 54.559 2.941 1
1 223 . 18 1 1 A 20 20 LEU CB C 20 41.200 39.742 1.458 1
1 227 . 18 1 1 A 20 20 LEU N N 20 120.400 118.836 1.564 1
1 228 . 18 1 1 A 21 21 LEU H H 21 8.520 8.594 -0.074 1
1 229 . 18 1 1 A 21 21 LEU HA H 21 3.910 4.606 -0.696 1
1 239 . 18 1 1 A 21 21 LEU CA C 21 59.200 56.105 3.095 1
1 240 . 18 1 1 A 21 21 LEU CB C 21 42.400 44.594 -2.194 1
1 244 . 18 1 1 A 21 21 LEU N N 21 125.500 123.727 1.773 1
1 245 . 18 1 1 A 22 22 ARG H H 22 7.830 8.365 -0.535 1
1 246 . 18 1 1 A 22 22 ARG HA H 22 4.230 4.095 0.135 1
1 253 . 18 1 1 A 22 22 ARG CA C 22 57.300 57.733 -0.433 1
1 254 . 18 1 1 A 22 22 ARG CB C 22 28.800 29.003 -0.203 1
1 257 . 18 1 1 A 22 22 ARG N N 22 117.200 118.731 -1.531 1
1 258 . 18 1 1 A 23 23 PHE H H 23 9.380 8.118 1.262 1
1 259 . 18 1 1 A 23 23 PHE HA H 23 3.950 4.221 -0.271 1
1 267 . 18 1 1 A 23 23 PHE CA C 23 61.500 60.079 1.421 1
1 268 . 18 1 1 A 23 23 PHE CB C 23 40.200 37.855 2.345 1
1 272 . 18 1 1 A 23 23 PHE N N 23 118.500 118.904 -0.404 1
1 273 . 18 1 1 A 24 24 THR H H 24 8.600 6.964 1.636 1
1 274 . 18 1 1 A 24 24 THR HA H 24 4.030 3.698 0.332 1
1 279 . 18 1 1 A 24 24 THR CA C 24 68.000 66.431 1.569 1
1 280 . 18 1 1 A 24 24 THR CB C 24 67.400 67.586 -0.186 1
1 282 . 18 1 1 A 24 24 THR N N 24 115.400 115.616 -0.216 1
1 283 . 18 1 1 A 25 25 LEU H H 25 8.200 7.931 0.269 1
1 284 . 18 1 1 A 25 25 LEU HA H 25 3.390 3.668 -0.278 1
1 294 . 18 1 1 A 25 25 LEU CA C 25 58.200 57.987 0.213 1
1 295 . 18 1 1 A 25 25 LEU CB C 25 42.200 41.654 0.546 1
1 299 . 18 1 1 A 25 25 LEU N N 25 124.500 120.850 3.650 1
1 300 . 18 1 1 A 26 26 GLY H H 26 8.520 8.039 0.481 1
1 301 . 18 1 1 A 26 26 GLY HA2 H 26 3.910 3.571 0.339 1
1 302 . 18 1 1 A 26 26 GLY HA3 H 26 3.570 3.806 -0.236 1
1 303 . 18 1 1 A 26 26 GLY CA C 26 48.400 47.161 1.239 1
1 304 . 18 1 1 A 26 26 GLY N N 26 104.600 105.391 -0.791 1
1 305 . 18 1 1 A 27 27 LYS H H 27 8.730 7.250 1.480 1
1 306 . 18 1 1 A 27 27 LYS HA H 27 2.970 3.584 -0.614 1
1 315 . 18 1 1 A 27 27 LYS CA C 27 59.100 59.224 -0.124 1
1 316 . 18 1 1 A 27 27 LYS CB C 27 31.400 32.023 -0.623 1
1 320 . 18 1 1 A 27 27 LYS N N 27 121.200 122.003 -0.803 1
1 321 . 18 1 1 A 28 28 THR H H 28 7.420 7.481 -0.061 1
1 322 . 18 1 1 A 28 28 THR HA H 28 3.680 3.848 -0.168 1
1 327 . 18 1 1 A 28 28 THR CA C 28 67.100 66.349 0.751 1
1 328 . 18 1 1 A 28 28 THR CB C 28 67.700 68.302 -0.602 1
1 330 . 18 1 1 A 28 28 THR N N 28 114.500 117.579 -3.079 1
1 331 . 18 1 1 A 29 29 TYR H H 29 8.220 7.295 0.925 1
1 332 . 18 1 1 A 29 29 TYR HA H 29 4.380 4.299 0.081 1
1 339 . 18 1 1 A 29 29 TYR CA C 29 61.400 60.237 1.163 1
1 340 . 18 1 1 A 29 29 TYR CB C 29 37.100 37.223 -0.123 1
1 343 . 18 1 1 A 29 29 TYR N N 29 120.400 120.453 -0.053 1
1 344 . 18 1 1 A 30 30 ALA H H 30 8.500 8.113 0.387 1
1 345 . 18 1 1 A 30 30 ALA HA H 30 3.770 3.509 0.261 1
1 349 . 18 1 1 A 30 30 ALA CA C 30 56.000 54.813 1.187 1
1 350 . 18 1 1 A 30 30 ALA CB C 30 18.200 18.372 -0.172 1
1 351 . 18 1 1 A 30 30 ALA N N 30 123.300 123.185 0.115 1
1 352 . 18 1 1 A 31 31 GLU H H 31 8.940 8.322 0.618 1
1 353 . 18 1 1 A 31 31 GLU HA H 31 4.180 4.182 -0.002 1
1 358 . 18 1 1 A 31 31 GLU CA C 31 58.600 58.428 0.172 1
1 359 . 18 1 1 A 31 31 GLU CB C 31 28.700 29.363 -0.663 1
1 361 . 18 1 1 A 31 31 GLU N N 31 120.700 118.975 1.725 1
1 362 . 18 1 1 A 32 32 HIS H H 32 7.340 7.403 -0.063 1
1 363 . 18 1 1 A 32 32 HIS HA H 32 4.740 4.565 0.175 1
1 368 . 18 1 1 A 32 32 HIS CA C 32 54.800 55.574 -0.774 1
1 369 . 18 1 1 A 32 32 HIS CB C 32 28.200 29.952 -1.752 1
1 372 . 18 1 1 A 32 32 HIS N N 32 115.300 115.844 -0.544 1
1 373 . 18 1 1 A 33 33 GLU H H 33 7.830 7.730 0.100 1
1 374 . 18 1 1 A 33 33 GLU HA H 33 2.500 3.667 -1.167 1
1 379 . 18 1 1 A 33 33 GLU CA C 33 56.800 57.504 -0.704 1
1 380 . 18 1 1 A 33 33 GLU CB C 33 25.000 26.977 -1.977 1
1 382 . 18 1 1 A 33 33 GLU N N 33 112.200 114.911 -2.711 1
1 383 . 18 1 1 A 34 34 GLN H H 34 8.030 8.321 -0.291 1
1 384 . 18 1 1 A 34 34 GLN HA H 34 4.460 4.637 -0.177 1
1 391 . 18 1 1 A 34 34 GLN CA C 34 53.200 53.868 -0.668 1
1 392 . 18 1 1 A 34 34 GLN CB C 34 26.500 27.072 -0.572 1
1 394 . 18 1 1 A 34 34 GLN N N 34 121.000 119.158 1.842 1
1 396 . 18 1 1 A 35 35 PHE H H 35 7.050 8.091 -1.041 1
1 397 . 18 1 1 A 35 35 PHE HA H 35 4.180 4.127 0.053 1
1 405 . 18 1 1 A 35 35 PHE CA C 35 60.700 60.819 -0.119 1
1 406 . 18 1 1 A 35 35 PHE CB C 35 38.200 38.942 -0.742 1
1 410 . 18 1 1 A 35 35 PHE N N 35 118.600 120.854 -2.254 1
1 411 . 18 1 1 A 36 36 ASP H H 36 8.410 8.322 0.088 1
1 412 . 18 1 1 A 36 36 ASP HA H 36 4.200 4.397 -0.197 1
1 415 . 18 1 1 A 36 36 ASP CA C 36 56.700 57.790 -1.090 1
1 416 . 18 1 1 A 36 36 ASP CB C 36 38.800 42.075 -3.275 1
1 417 . 18 1 1 A 36 36 ASP N N 36 117.000 120.056 -3.056 1
1 418 . 18 1 1 A 37 37 ALA H H 37 7.540 8.038 -0.498 1
1 419 . 18 1 1 A 37 37 ALA HA H 37 3.860 4.014 -0.154 1
1 423 . 18 1 1 A 37 37 ALA CA C 37 52.900 54.544 -1.644 1
1 424 . 18 1 1 A 37 37 ALA CB C 37 16.300 17.915 -1.615 1
1 425 . 18 1 1 A 37 37 ALA N N 37 120.900 120.775 0.125 1
1 426 . 18 1 1 A 38 38 ALA H H 38 7.700 7.782 -0.082 1
1 427 . 18 1 1 A 38 38 ALA HA H 38 4.210 4.093 0.117 1
1 431 . 18 1 1 A 38 38 ALA CA C 38 55.100 55.083 0.017 1
1 432 . 18 1 1 A 38 38 ALA CB C 38 20.500 18.402 2.098 1
1 433 . 18 1 1 A 38 38 ALA N N 38 117.600 120.178 -2.578 1
1 434 . 18 1 1 A 39 39 LEU H H 39 7.430 7.802 -0.372 1
1 435 . 18 1 1 A 39 39 LEU HA H 39 4.050 3.959 0.091 1
1 445 . 18 1 1 A 39 39 LEU CA C 39 60.500 60.063 0.437 1
1 446 . 18 1 1 A 39 39 LEU CB C 39 39.200 40.032 -0.832 1
1 450 . 18 1 1 A 39 39 LEU N N 39 114.900 118.372 -3.472 1
1 451 . 18 1 1 A 40 40 PRO HA H 40 4.180 4.254 -0.074 1
1 458 . 18 1 1 A 40 40 PRO CA C 40 65.100 65.881 -0.781 1
1 459 . 18 1 1 A 40 40 PRO CB C 40 30.600 30.698 -0.098 1
1 462 . 18 1 1 A 41 41 HIS H H 41 6.570 7.478 -0.908 1
1 463 . 18 1 1 A 41 41 HIS HA H 41 4.740 4.192 0.548 1
1 468 . 18 1 1 A 41 41 HIS CA C 41 58.800 59.501 -0.701 1
1 469 . 18 1 1 A 41 41 HIS CB C 41 30.800 30.035 0.765 1
1 472 . 18 1 1 A 41 41 HIS N N 41 116.500 116.400 0.100 1
1 473 . 18 1 1 A 42 42 LEU H H 42 8.140 8.611 -0.471 1
1 474 . 18 1 1 A 42 42 LEU HA H 42 4.120 3.852 0.268 1
1 484 . 18 1 1 A 42 42 LEU CA C 42 57.800 58.046 -0.246 1
1 485 . 18 1 1 A 42 42 LEU CB C 42 42.100 41.321 0.779 1
1 489 . 18 1 1 A 42 42 LEU N N 42 119.900 119.681 0.219 1
1 490 . 18 1 1 A 43 43 ARG H H 43 8.300 8.334 -0.034 1
1 491 . 18 1 1 A 43 43 ARG HA H 43 3.740 3.999 -0.259 1
1 498 . 18 1 1 A 43 43 ARG CA C 43 59.700 59.433 0.267 1
1 499 . 18 1 1 A 43 43 ARG CB C 43 28.300 29.931 -1.631 1
1 502 . 18 1 1 A 43 43 ARG N N 43 116.400 119.973 -3.573 1
1 503 . 18 1 1 A 44 44 ALA H H 44 7.850 7.761 0.089 1
1 504 . 18 1 1 A 44 44 ALA HA H 44 4.060 4.149 -0.089 1
1 508 . 18 1 1 A 44 44 ALA CA C 44 54.600 55.104 -0.504 1
1 509 . 18 1 1 A 44 44 ALA CB C 44 17.000 18.012 -1.012 1
1 510 . 18 1 1 A 44 44 ALA N N 44 121.000 121.370 -0.370 1
1 511 . 18 1 1 A 45 45 ALA H H 45 8.440 7.640 0.800 1
1 512 . 18 1 1 A 45 45 ALA HA H 45 4.270 4.296 -0.026 1
1 516 . 18 1 1 A 45 45 ALA CA C 45 56.200 55.233 0.967 1
1 517 . 18 1 1 A 45 45 ALA CB C 45 17.000 18.006 -1.006 1
1 518 . 18 1 1 A 45 45 ALA N N 45 121.200 120.854 0.346 1
1 519 . 18 1 1 A 46 46 LEU H H 46 7.310 7.993 -0.683 1
1 520 . 18 1 1 A 46 46 LEU HA H 46 4.010 4.100 -0.090 1
1 530 . 18 1 1 A 46 46 LEU CA C 46 55.900 57.867 -1.967 1
1 531 . 18 1 1 A 46 46 LEU CB C 46 42.200 41.291 0.909 1
1 535 . 18 1 1 A 46 46 LEU N N 46 116.800 119.838 -3.038 1
1 536 . 18 1 1 A 47 47 ASP H H 47 7.590 7.945 -0.355 1
1 537 . 18 1 1 A 47 47 ASP HA H 47 4.440 4.294 0.146 1
1 540 . 18 1 1 A 47 47 ASP CA C 47 55.500 57.046 -1.546 1
1 541 . 18 1 1 A 47 47 ASP CB C 47 39.200 40.458 -1.258 1
1 542 . 18 1 1 A 47 47 ASP N N 47 118.900 119.750 -0.850 1
1 543 . 18 1 1 A 48 48 PHE H H 48 7.490 7.604 -0.114 1
1 544 . 18 1 1 A 48 48 PHE HA H 48 4.450 4.332 0.118 1
1 552 . 18 1 1 A 48 48 PHE CA C 48 61.200 59.876 1.324 1
1 553 . 18 1 1 A 48 48 PHE CB C 48 39.600 40.005 -0.405 1
1 557 . 18 1 1 A 48 48 PHE N N 48 117.200 116.442 0.758 1
1 558 . 18 1 1 A 49 49 ASP H H 49 7.790 8.220 -0.430 1
1 559 . 18 1 1 A 49 49 ASP HA H 49 4.980 5.069 -0.089 1
1 562 . 18 1 1 A 49 49 ASP CA C 49 51.000 51.647 -0.647 1
1 563 . 18 1 1 A 49 49 ASP CB C 49 41.800 41.506 0.294 1
1 564 . 18 1 1 A 49 49 ASP N N 49 113.500 117.446 -3.946 1
1 565 . 18 1 1 A 50 50 PRO HA H 50 4.780 4.654 0.126 1
1 572 . 18 1 1 A 50 50 PRO CA C 50 64.000 64.251 -0.251 1
1 573 . 18 1 1 A 50 50 PRO CB C 50 32.000 31.876 0.124 1
1 576 . 18 1 1 A 51 51 THR H H 51 8.640 7.451 1.189 1
1 577 . 18 1 1 A 51 51 THR HA H 51 4.620 4.922 -0.302 1
1 582 . 18 1 1 A 51 51 THR CA C 51 60.900 62.046 -1.146 1
1 583 . 18 1 1 A 51 51 THR CB C 51 68.600 68.974 -0.374 1
1 585 . 18 1 1 A 51 51 THR N N 51 111.900 110.451 1.449 1
1 586 . 18 1 1 A 52 52 TYR H H 52 7.350 7.548 -0.198 1
1 587 . 18 1 1 A 52 52 TYR HA H 52 4.820 4.430 0.390 1
1 594 . 18 1 1 A 52 52 TYR CA C 52 56.100 56.079 0.021 1
1 595 . 18 1 1 A 52 52 TYR CB C 52 35.900 37.949 -2.049 1
1 598 . 18 1 1 A 52 52 TYR N N 52 122.600 125.363 -2.763 1
1 599 . 18 1 1 A 53 53 SER H H 53 8.480 7.662 0.818 1
1 600 . 18 1 1 A 53 53 SER HA H 53 4.170 1.939 2.231 1
1 603 . 18 1 1 A 53 53 SER CA C 53 62.900 60.361 2.539 1
1 604 . 18 1 1 A 53 53 SER CB C 53 62.900 61.785 1.115 1
1 605 . 18 1 1 A 53 53 SER N N 53 127.100 122.725 4.375 1
1 606 . 18 1 1 A 54 54 VAL H H 54 7.860 7.489 0.371 1
1 607 . 18 1 1 A 54 54 VAL HA H 54 3.850 3.552 0.298 1
1 615 . 18 1 1 A 54 54 VAL CA C 54 65.500 66.458 -0.958 1
1 616 . 18 1 1 A 54 54 VAL CB C 54 31.200 31.364 -0.164 1
1 619 . 18 1 1 A 54 54 VAL N N 54 116.800 122.419 -5.619 1
1 620 . 18 1 1 A 55 55 ALA H H 55 7.120 7.984 -0.864 1
1 621 . 18 1 1 A 55 55 ALA HA H 55 4.490 4.435 0.055 1
1 625 . 18 1 1 A 55 55 ALA CA C 55 55.700 55.287 0.413 1
1 626 . 18 1 1 A 55 55 ALA CB C 55 16.700 18.624 -1.924 1
1 627 . 18 1 1 A 55 55 ALA N N 55 123.000 121.509 1.491 1
1 628 . 18 1 1 A 56 56 TRP H H 56 7.340 7.639 -0.299 1
1 629 . 18 1 1 A 56 56 TRP HA H 56 4.160 4.542 -0.382 1
1 638 . 18 1 1 A 56 56 TRP CA C 56 60.700 59.878 0.822 1
1 639 . 18 1 1 A 56 56 TRP CB C 56 30.100 29.092 1.008 1
1 645 . 18 1 1 A 56 56 TRP N N 56 119.300 118.510 0.790 1
1 647 . 18 1 1 A 57 57 LYS H H 57 8.330 7.797 0.533 1
1 648 . 18 1 1 A 57 57 LYS HA H 57 3.970 4.181 -0.211 1
1 657 . 18 1 1 A 57 57 LYS CA C 57 59.300 59.292 0.008 1
1 658 . 18 1 1 A 57 57 LYS CB C 57 34.400 31.874 2.526 1
1 662 . 18 1 1 A 57 57 LYS N N 57 117.700 120.531 -2.831 1
1 663 . 18 1 1 A 58 58 TRP H H 58 8.170 8.047 0.123 1
1 664 . 18 1 1 A 58 58 TRP HA H 58 4.230 4.578 -0.348 1
1 673 . 18 1 1 A 58 58 TRP CA C 58 61.600 60.202 1.398 1
1 674 . 18 1 1 A 58 58 TRP CB C 58 29.000 29.564 -0.564 1
1 680 . 18 1 1 A 58 58 TRP N N 58 119.100 120.842 -1.742 1
1 682 . 18 1 1 A 59 59 LEU H H 59 9.500 8.555 0.945 1
1 683 . 18 1 1 A 59 59 LEU HA H 59 4.090 4.037 0.053 1
1 693 . 18 1 1 A 59 59 LEU CA C 59 58.500 58.498 0.002 1
1 694 . 18 1 1 A 59 59 LEU CB C 59 41.300 42.118 -0.818 1
1 698 . 18 1 1 A 59 59 LEU N N 59 127.300 120.685 6.615 1
1 699 . 18 1 1 A 60 60 GLY H H 60 8.480 7.560 0.920 1
1 700 . 18 1 1 A 60 60 GLY HA2 H 60 3.050 2.699 0.351 1
1 701 . 18 1 1 A 60 60 GLY HA3 H 60 2.250 3.077 -0.827 1
1 702 . 18 1 1 A 60 60 GLY CA C 60 47.500 46.505 0.995 1
1 703 . 18 1 1 A 60 60 GLY N N 60 105.100 104.955 0.145 1
1 704 . 18 1 1 A 61 61 LYS H H 61 7.680 7.544 0.136 1
1 705 . 18 1 1 A 61 61 LYS HA H 61 3.890 3.967 -0.077 1
1 714 . 18 1 1 A 61 61 LYS CA C 61 59.300 59.503 -0.203 1
1 715 . 18 1 1 A 61 61 LYS CB C 61 32.000 32.296 -0.296 1
1 719 . 18 1 1 A 61 61 LYS N N 61 118.600 122.030 -3.430 1
1 720 . 18 1 1 A 62 62 THR H H 62 8.030 8.248 -0.218 1
1 721 . 18 1 1 A 62 62 THR HA H 62 3.780 4.311 -0.531 1
1 726 . 18 1 1 A 62 62 THR CA C 62 67.400 67.485 -0.085 1
1 727 . 18 1 1 A 62 62 THR CB C 62 66.300 68.584 -2.284 1
1 729 . 18 1 1 A 62 62 THR N N 62 120.100 119.030 1.070 1
1 730 . 18 1 1 A 63 63 LEU H H 63 8.090 8.293 -0.203 1
1 731 . 18 1 1 A 63 63 LEU HA H 63 4.080 3.830 0.250 1
1 741 . 18 1 1 A 63 63 LEU CA C 63 57.800 57.767 0.033 1
1 742 . 18 1 1 A 63 63 LEU CB C 63 40.800 41.291 -0.491 1
1 746 . 18 1 1 A 63 63 LEU N N 63 121.400 120.502 0.898 1
1 747 . 18 1 1 A 64 64 GLN H H 64 8.300 8.010 0.290 1
1 748 . 18 1 1 A 64 64 GLN HA H 64 3.400 3.846 -0.446 1
1 755 . 18 1 1 A 64 64 GLN CA C 64 59.300 59.581 -0.281 1
1 756 . 18 1 1 A 64 64 GLN CB C 64 28.100 27.506 0.594 1
1 758 . 18 1 1 A 64 64 GLN N N 64 119.500 118.021 1.479 1
1 760 . 18 1 1 A 65 65 GLY H H 65 7.720 8.084 -0.364 1
1 761 . 18 1 1 A 65 65 GLY HA2 H 65 2.300 2.414 -0.114 1
1 762 . 18 1 1 A 65 65 GLY HA3 H 65 3.430 3.387 0.043 1
1 763 . 18 1 1 A 65 65 GLY CA C 65 46.000 46.728 -0.728 1
1 764 . 18 1 1 A 65 65 GLY N N 65 110.300 107.189 3.111 1
1 765 . 18 1 1 A 66 66 GLN H H 66 7.250 7.333 -0.083 1
1 766 . 18 1 1 A 66 66 GLN HA H 66 4.270 4.310 -0.040 1
1 773 . 18 1 1 A 66 66 GLN CA C 66 55.900 57.093 -1.193 1
1 774 . 18 1 1 A 66 66 GLN CB C 66 30.000 29.485 0.515 1
1 776 . 18 1 1 A 66 66 GLN N N 66 117.500 120.209 -2.709 1
1 778 . 18 1 1 A 67 67 GLY H H 67 7.800 7.778 0.022 1
1 779 . 18 1 1 A 67 67 GLY HA2 H 67 4.230 4.032 0.198 1
1 780 . 18 1 1 A 67 67 GLY HA3 H 67 3.660 4.050 -0.390 1
1 781 . 18 1 1 A 67 67 GLY CA C 67 44.800 44.900 -0.100 1
1 782 . 18 1 1 A 67 67 GLY N N 67 107.400 107.491 -0.091 1
1 783 . 18 1 1 A 68 68 ASP H H 68 8.100 8.217 -0.117 1
1 784 . 18 1 1 A 68 68 ASP HA H 68 4.780 4.791 -0.011 1
1 787 . 18 1 1 A 68 68 ASP CA C 68 51.100 52.351 -1.251 1
1 788 . 18 1 1 A 68 68 ASP CB C 68 38.800 40.189 -1.389 1
1 789 . 18 1 1 A 68 68 ASP N N 68 121.600 120.861 0.739 1
1 790 . 18 1 1 A 69 69 ARG H H 69 7.770 8.343 -0.573 1
1 791 . 18 1 1 A 69 69 ARG HA H 69 3.650 4.018 -0.368 1
1 798 . 18 1 1 A 69 69 ARG CA C 69 59.800 59.239 0.561 1
1 799 . 18 1 1 A 69 69 ARG CB C 69 28.700 29.759 -1.059 1
1 802 . 18 1 1 A 69 69 ARG N N 69 123.700 126.498 -2.798 1
1 803 . 18 1 1 A 70 70 ALA H H 70 8.490 8.127 0.363 1
1 804 . 18 1 1 A 70 70 ALA HA H 70 4.040 4.026 0.014 1
1 808 . 18 1 1 A 70 70 ALA CA C 70 54.700 54.790 -0.090 1
1 809 . 18 1 1 A 70 70 ALA CB C 70 17.800 19.322 -1.522 1
1 810 . 18 1 1 A 70 70 ALA N N 70 122.400 122.364 0.036 1
1 811 . 18 1 1 A 71 71 GLY H H 71 8.540 8.718 -0.178 1
1 812 . 18 1 1 A 71 71 GLY HA2 H 71 3.570 3.712 -0.142 1
1 813 . 18 1 1 A 71 71 GLY HA3 H 71 3.710 3.726 -0.016 1
1 814 . 18 1 1 A 71 71 GLY CA C 71 47.100 46.696 0.404 1
1 815 . 18 1 1 A 71 71 GLY N N 71 109.100 106.808 2.292 1
1 816 . 18 1 1 A 72 72 ALA H H 72 8.060 8.002 0.058 1
1 817 . 18 1 1 A 72 72 ALA HA H 72 3.310 3.453 -0.143 1
1 821 . 18 1 1 A 72 72 ALA CA C 72 55.200 54.672 0.528 1
1 822 . 18 1 1 A 72 72 ALA CB C 72 17.200 17.956 -0.756 1
1 823 . 18 1 1 A 72 72 ALA N N 72 126.600 124.634 1.966 1
1 824 . 18 1 1 A 73 73 ARG H H 73 7.840 7.850 -0.010 1
1 825 . 18 1 1 A 73 73 ARG HA H 73 3.760 4.316 -0.556 1
1 832 . 18 1 1 A 73 73 ARG CA C 73 59.700 59.556 0.144 1
1 833 . 18 1 1 A 73 73 ARG CB C 73 29.800 29.862 -0.062 1
1 836 . 18 1 1 A 73 73 ARG N N 73 116.300 118.498 -2.198 1
1 837 . 18 1 1 A 74 74 GLN H H 74 7.690 8.142 -0.452 1
1 838 . 18 1 1 A 74 74 GLN HA H 74 3.970 4.055 -0.085 1
1 845 . 18 1 1 A 74 74 GLN CA C 74 58.800 59.044 -0.244 1
1 846 . 18 1 1 A 74 74 GLN CB C 74 28.400 28.803 -0.403 1
1 848 . 18 1 1 A 74 74 GLN N N 74 116.500 118.713 -2.213 1
1 850 . 18 1 1 A 75 75 ALA H H 75 8.160 7.781 0.379 1
1 851 . 18 1 1 A 75 75 ALA HA H 75 4.350 4.080 0.270 1
1 855 . 18 1 1 A 75 75 ALA CA C 75 54.400 54.944 -0.544 1
1 856 . 18 1 1 A 75 75 ALA CB C 75 17.600 18.176 -0.576 1
1 857 . 18 1 1 A 75 75 ALA N N 75 121.900 121.393 0.507 1
1 858 . 18 1 1 A 76 76 TRP H H 76 8.640 8.257 0.383 1
1 859 . 18 1 1 A 76 76 TRP HA H 76 4.640 4.512 0.128 1
1 868 . 18 1 1 A 76 76 TRP CA C 76 58.200 59.552 -1.352 1
1 869 . 18 1 1 A 76 76 TRP CB C 76 27.600 28.678 -1.078 1
1 875 . 18 1 1 A 76 76 TRP N N 76 118.400 118.937 -0.537 1
1 877 . 18 1 1 A 77 77 GLU H H 77 9.050 8.742 0.308 1
1 878 . 18 1 1 A 77 77 GLU HA H 77 4.010 4.019 -0.009 1
1 883 . 18 1 1 A 77 77 GLU CA C 77 58.900 59.855 -0.955 1
1 884 . 18 1 1 A 77 77 GLU CB C 77 28.100 29.259 -1.159 1
1 886 . 18 1 1 A 77 77 GLU N N 77 121.000 119.993 1.007 1
1 887 . 18 1 1 A 78 78 SER H H 78 8.280 7.751 0.529 1
1 888 . 18 1 1 A 78 78 SER HA H 78 3.800 4.139 -0.339 1
1 891 . 18 1 1 A 78 78 SER CA C 78 62.400 61.095 1.305 1
1 892 . 18 1 1 A 78 78 SER CB C 78 68.000 62.862 5.138 1
1 893 . 18 1 1 A 78 78 SER N N 78 120.000 115.796 4.204 1
1 894 . 18 1 1 A 79 79 GLY H H 79 8.580 8.677 -0.097 1
1 895 . 18 1 1 A 79 79 GLY HA2 H 79 3.470 3.448 0.022 1
1 896 . 18 1 1 A 79 79 GLY HA3 H 79 3.580 3.859 -0.279 1
1 897 . 18 1 1 A 79 79 GLY CA C 79 47.000 46.895 0.105 1
1 898 . 18 1 1 A 79 79 GLY N N 79 111.000 108.904 2.096 1
1 899 . 18 1 1 A 80 80 LEU H H 80 8.640 8.296 0.344 1
1 900 . 18 1 1 A 80 80 LEU HA H 80 3.830 4.122 -0.292 1
1 910 . 18 1 1 A 80 80 LEU CA C 80 58.200 57.770 0.430 1
1 911 . 18 1 1 A 80 80 LEU CB C 80 41.800 41.564 0.236 1
1 915 . 18 1 1 A 80 80 LEU N N 80 125.600 123.338 2.262 1
1 916 . 18 1 1 A 81 81 ALA H H 81 7.400 8.251 -0.851 1
1 917 . 18 1 1 A 81 81 ALA HA H 81 4.140 3.958 0.182 1
1 921 . 18 1 1 A 81 81 ALA CA C 81 54.600 55.063 -0.463 1
1 922 . 18 1 1 A 81 81 ALA CB C 81 17.500 18.262 -0.762 1
1 923 . 18 1 1 A 81 81 ALA N N 81 120.400 120.613 -0.213 1
1 924 . 18 1 1 A 82 82 ALA H H 82 7.640 7.751 -0.111 1
1 925 . 18 1 1 A 82 82 ALA HA H 82 4.160 3.844 0.316 1
1 929 . 18 1 1 A 82 82 ALA CA C 82 54.700 54.677 0.023 1
1 930 . 18 1 1 A 82 82 ALA CB C 82 17.200 17.963 -0.763 1
1 931 . 18 1 1 A 82 82 ALA N N 82 120.900 120.042 0.858 1
1 932 . 18 1 1 A 83 83 ALA H H 83 8.910 8.084 0.826 1
1 933 . 18 1 1 A 83 83 ALA HA H 83 4.260 4.462 -0.202 1
1 937 . 18 1 1 A 83 83 ALA CA C 83 54.900 55.278 -0.378 1
1 938 . 18 1 1 A 83 83 ALA CB C 83 18.600 18.442 0.158 1
1 939 . 18 1 1 A 83 83 ALA N N 83 122.000 120.246 1.754 1
1 940 . 18 1 1 A 84 84 GLN H H 84 8.770 8.329 0.441 1
1 941 . 18 1 1 A 84 84 GLN HA H 84 3.940 4.090 -0.150 1
1 948 . 18 1 1 A 84 84 GLN CA C 84 58.800 59.168 -0.368 1
1 949 . 18 1 1 A 84 84 GLN CB C 84 28.200 28.383 -0.183 1
1 951 . 18 1 1 A 84 84 GLN N N 84 118.400 118.946 -0.546 1
1 953 . 18 1 1 A 85 85 SER H H 85 7.920 8.247 -0.327 1
1 954 . 18 1 1 A 85 85 SER HA H 85 4.250 4.196 0.054 1
1 957 . 18 1 1 A 85 85 SER CA C 85 61.200 61.094 0.106 1
1 958 . 18 1 1 A 85 85 SER CB C 85 62.700 63.066 -0.366 1
1 959 . 18 1 1 A 85 85 SER N N 85 115.200 115.218 -0.018 1
1 960 . 18 1 1 A 86 86 ARG H H 86 7.590 7.911 -0.321 1
1 961 . 18 1 1 A 86 86 ARG HA H 86 4.380 4.485 -0.105 1
1 968 . 18 1 1 A 86 86 ARG CA C 86 55.800 57.236 -1.436 1
1 969 . 18 1 1 A 86 86 ARG CB C 86 31.200 31.114 0.086 1
1 972 . 18 1 1 A 86 86 ARG N N 86 117.800 121.020 -3.220 1
1 973 . 18 1 1 A 87 87 GLY H H 87 7.790 7.791 -0.001 1
1 974 . 18 1 1 A 87 87 GLY HA2 H 87 3.870 3.983 -0.113 1
1 975 . 18 1 1 A 87 87 GLY HA3 H 87 4.080 3.984 0.096 1
1 976 . 18 1 1 A 87 87 GLY CA C 87 46.100 46.234 -0.134 1
1 977 . 18 1 1 A 87 87 GLY N N 87 109.100 108.492 0.608 1
1 978 . 18 1 1 A 88 88 ASP H H 88 8.210 8.710 -0.500 1
1 979 . 18 1 1 A 88 88 ASP HA H 88 4.830 4.836 -0.006 1
1 982 . 18 1 1 A 88 88 ASP CA C 88 52.100 52.395 -0.295 1
1 983 . 18 1 1 A 88 88 ASP CB C 88 39.000 40.154 -1.154 1
1 984 . 18 1 1 A 88 88 ASP N N 88 120.200 120.889 -0.689 1
1 985 . 18 1 1 A 89 89 GLN H H 89 8.110 8.601 -0.491 1
1 986 . 18 1 1 A 89 89 GLN HA H 89 3.840 4.055 -0.215 1
1 993 . 18 1 1 A 89 89 GLN CA C 89 58.500 59.147 -0.647 1
1 994 . 18 1 1 A 89 89 GLN CB C 89 28.000 28.398 -0.398 1
1 996 . 18 1 1 A 89 89 GLN N N 89 122.400 125.010 -2.610 1
1 998 . 18 1 1 A 90 90 GLN H H 90 8.720 7.918 0.802 1
1 999 . 18 1 1 A 90 90 GLN HA H 90 4.000 4.080 -0.080 1
1 1006 . 18 1 1 A 90 90 GLN CA C 90 58.800 58.700 0.100 1
1 1007 . 18 1 1 A 90 90 GLN CB C 90 27.800 28.487 -0.687 1
1 1009 . 18 1 1 A 90 90 GLN N N 90 119.100 120.074 -0.974 1
1 1011 . 18 1 1 A 91 91 VAL H H 91 7.170 7.935 -0.765 1
1 1012 . 18 1 1 A 91 91 VAL HA H 91 3.660 3.645 0.015 1
1 1020 . 18 1 1 A 91 91 VAL CA C 91 65.500 66.323 -0.823 1
1 1021 . 18 1 1 A 91 91 VAL CB C 91 31.300 31.572 -0.272 1
1 1024 . 18 1 1 A 91 91 VAL N N 91 119.900 119.544 0.356 1
1 1025 . 18 1 1 A 92 92 VAL H H 92 7.880 7.685 0.195 1
1 1026 . 18 1 1 A 92 92 VAL HA H 92 3.240 3.564 -0.324 1
1 1034 . 18 1 1 A 92 92 VAL CA C 92 67.300 66.993 0.307 1
1 1035 . 18 1 1 A 92 92 VAL CB C 92 31.500 31.629 -0.129 1
1 1038 . 18 1 1 A 92 92 VAL N N 92 119.900 120.556 -0.656 1
1 1039 . 18 1 1 A 93 93 LYS H H 93 7.480 8.162 -0.682 1
1 1040 . 18 1 1 A 93 93 LYS HA H 93 3.920 3.983 -0.063 1
1 1049 . 18 1 1 A 93 93 LYS CA C 93 59.300 59.446 -0.146 1
1 1050 . 18 1 1 A 93 93 LYS CB C 93 31.900 31.936 -0.036 1
1 1054 . 18 1 1 A 93 93 LYS N N 93 116.000 118.609 -2.609 1
1 1055 . 18 1 1 A 94 94 GLU H H 94 7.480 8.140 -0.660 1
1 1056 . 18 1 1 A 94 94 GLU HA H 94 3.580 4.087 -0.507 1
1 1061 . 18 1 1 A 94 94 GLU CA C 94 58.600 58.891 -0.291 1
1 1062 . 18 1 1 A 94 94 GLU CB C 94 29.500 29.545 -0.045 1
1 1064 . 18 1 1 A 94 94 GLU N N 94 117.500 120.431 -2.931 1
1 1065 . 18 1 1 A 95 95 LEU H H 95 8.370 8.539 -0.169 1
1 1066 . 18 1 1 A 95 95 LEU HA H 95 3.530 4.263 -0.733 1
1 1076 . 18 1 1 A 95 95 LEU CA C 95 57.600 57.818 -0.218 1
1 1077 . 18 1 1 A 95 95 LEU CB C 95 40.900 40.933 -0.033 1
1 1081 . 18 1 1 A 95 95 LEU N N 95 117.500 120.025 -2.525 1
1 1082 . 18 1 1 A 96 96 GLN H H 96 8.330 8.383 -0.053 1
1 1083 . 18 1 1 A 96 96 GLN HA H 96 3.980 3.927 0.053 1
1 1090 . 18 1 1 A 96 96 GLN CA C 96 58.900 59.174 -0.274 1
1 1091 . 18 1 1 A 96 96 GLN CB C 96 28.100 28.039 0.061 1
1 1093 . 18 1 1 A 96 96 GLN N N 96 117.600 119.870 -2.270 1
1 1095 . 18 1 1 A 97 97 VAL H H 97 7.450 7.578 -0.128 1
1 1096 . 18 1 1 A 97 97 VAL HA H 97 3.450 3.483 -0.033 1
1 1104 . 18 1 1 A 97 97 VAL CA C 97 66.700 66.207 0.493 1
1 1105 . 18 1 1 A 97 97 VAL CB C 97 31.000 31.211 -0.211 1
1 1108 . 18 1 1 A 97 97 VAL N N 97 120.300 118.559 1.741 1
1 1109 . 18 1 1 A 98 98 PHE H H 98 7.460 7.535 -0.075 1
1 1110 . 18 1 1 A 98 98 PHE HA H 98 3.980 4.036 -0.056 1
1 1118 . 18 1 1 A 98 98 PHE CA C 98 58.700 60.914 -2.214 1
1 1119 . 18 1 1 A 98 98 PHE CB C 98 35.500 37.958 -2.458 1
1 1123 . 18 1 1 A 98 98 PHE N N 98 119.100 117.992 1.108 1
1 1124 . 18 1 1 A 99 99 LEU H H 99 8.330 7.858 0.472 1
1 1125 . 18 1 1 A 99 99 LEU HA H 99 4.090 3.730 0.360 1
1 1135 . 18 1 1 A 99 99 LEU CA C 99 57.800 57.586 0.214 1
1 1136 . 18 1 1 A 99 99 LEU CB C 99 41.800 40.954 0.846 1
1 1140 . 18 1 1 A 99 99 LEU N N 99 119.300 119.544 -0.244 1
1 1141 . 18 1 1 A 100 100 ARG H H 100 8.350 7.980 0.370 1
1 1142 . 18 1 1 A 100 100 ARG HA H 100 4.110 3.964 0.146 1
1 1149 . 18 1 1 A 100 100 ARG CA C 100 59.300 59.466 -0.166 1
1 1150 . 18 1 1 A 100 100 ARG CB C 100 29.900 30.052 -0.152 1
1 1153 . 18 1 1 A 100 100 ARG N N 100 121.900 119.671 2.229 1
1 1154 . 18 1 1 A 101 101 ARG H H 101 8.110 7.311 0.799 1
1 1155 . 18 1 1 A 101 101 ARG HA H 101 4.020 4.075 -0.055 1
1 1162 . 18 1 1 A 101 101 ARG CA C 101 57.600 58.708 -1.108 1
1 1163 . 18 1 1 A 101 101 ARG CB C 101 30.200 30.070 0.130 1
1 1166 . 18 1 1 A 101 101 ARG N N 101 120.500 119.877 0.623 1
1 1167 . 18 1 1 A 102 102 LEU H H 102 7.890 8.291 -0.401 1
1 1168 . 18 1 1 A 102 102 LEU HA H 102 4.150 4.442 -0.292 1
1 1178 . 18 1 1 A 102 102 LEU CA C 102 57.600 57.806 -0.206 1
1 1179 . 18 1 1 A 102 102 LEU CB C 102 42.300 41.352 0.948 1
1 1183 . 18 1 1 A 102 102 LEU N N 102 119.900 121.112 -1.212 1
1 1184 . 18 1 1 A 103 103 ALA H H 103 7.880 8.095 -0.215 1
1 1185 . 18 1 1 A 103 103 ALA HA H 103 4.170 4.019 0.151 1
1 1189 . 18 1 1 A 103 103 ALA CA C 103 54.700 55.011 -0.311 1
1 1190 . 18 1 1 A 103 103 ALA CB C 103 17.800 18.026 -0.226 1
1 1191 . 18 1 1 A 103 103 ALA N N 103 120.000 120.926 -0.926 1
1 1192 . 18 1 1 A 104 104 ARG H H 104 8.060 7.470 0.590 1
1 1193 . 18 1 1 A 104 104 ARG HA H 104 4.130 4.055 0.075 1
1 1200 . 18 1 1 A 104 104 ARG CA C 104 58.500 59.519 -1.019 1
1 1201 . 18 1 1 A 104 104 ARG CB C 104 29.800 29.870 -0.070 1
1 1204 . 18 1 1 A 104 104 ARG N N 104 119.800 117.682 2.118 1
1 1205 . 18 1 1 A 105 105 GLU H H 105 8.050 8.372 -0.322 1
1 1206 . 18 1 1 A 105 105 GLU HA H 105 4.020 4.127 -0.107 1
1 1211 . 18 1 1 A 105 105 GLU CA C 105 58.500 59.411 -0.911 1
1 1212 . 18 1 1 A 105 105 GLU CB C 105 28.900 29.552 -0.652 1
1 1214 . 18 1 1 A 105 105 GLU N N 105 119.700 119.833 -0.133 1
1 1215 . 18 1 1 A 106 106 ASP H H 106 8.360 8.928 -0.568 1
1 1216 . 18 1 1 A 106 106 ASP HA H 106 4.380 4.357 0.023 1
1 1219 . 18 1 1 A 106 106 ASP CA C 106 56.500 58.126 -1.626 1
1 1220 . 18 1 1 A 106 106 ASP CB C 106 40.500 42.346 -1.846 1
1 1221 . 18 1 1 A 106 106 ASP N N 106 119.800 120.061 -0.261 1
1 1222 . 18 1 1 A 107 107 ALA H H 107 7.910 7.862 0.048 1
1 1223 . 18 1 1 A 107 107 ALA HA H 107 4.150 4.238 -0.088 1
1 1227 . 18 1 1 A 107 107 ALA CA C 107 54.200 54.946 -0.746 1
1 1228 . 18 1 1 A 107 107 ALA CB C 107 18.100 18.517 -0.417 1
1 1229 . 18 1 1 A 107 107 ALA N N 107 121.900 121.675 0.225 1
1 1230 . 18 1 1 A 108 108 LEU H H 108 7.840 7.689 0.151 1
1 1231 . 18 1 1 A 108 108 LEU HA H 108 4.120 4.110 0.010 1
1 1241 . 18 1 1 A 108 108 LEU CA C 108 56.400 57.632 -1.232 1
1 1242 . 18 1 1 A 108 108 LEU CB C 108 42.000 41.671 0.329 1
1 1246 . 18 1 1 A 108 108 LEU N N 108 119.000 119.171 -0.171 1
1 1247 . 18 1 1 A 109 109 GLU H H 109 7.860 8.153 -0.293 1
1 1248 . 18 1 1 A 109 109 GLU HA H 109 4.090 4.733 -0.643 1
1 1253 . 18 1 1 A 109 109 GLU CA C 109 57.000 56.046 0.954 1
1 1254 . 18 1 1 A 109 109 GLU CB C 109 29.100 30.542 -1.442 1
1 1256 . 18 1 1 A 109 109 GLU N N 109 118.600 115.388 3.212 1
1 1257 . 18 1 1 A 110 110 HIS H H 110 8.140 8.167 -0.027 1
1 1258 . 18 1 1 A 110 110 HIS HA H 110 4.560 4.840 -0.280 1
1 1261 . 18 1 1 A 110 110 HIS CA C 110 55.600 56.592 -0.992 1
1 1262 . 18 1 1 A 110 110 HIS CB C 110 28.300 31.556 -3.256 1
1 1263 . 18 1 1 A 110 110 HIS N N 110 117.000 119.404 -2.404 1
1 1264 . 18 1 1 A 111 111 HIS H H 111 8.340 7.712 0.628 1
1 1265 . 18 1 1 A 111 111 HIS HA H 111 4.600 4.284 0.316 1
1 1268 . 18 1 1 A 111 111 HIS CA C 111 55.500 57.884 -2.384 1
1 1269 . 18 1 1 A 111 111 HIS CB C 111 28.500 30.463 -1.963 1
1 1270 . 18 1 1 A 111 111 HIS N N 111 117.800 118.920 -1.120 1
1 1271 . 18 1 1 A 112 112 HIS H H 112 8.530 8.104 0.426 1
1 1272 . 18 1 1 A 112 112 HIS HA H 112 4.620 4.471 0.149 1
1 1275 . 18 1 1 A 112 112 HIS CA C 112 55.300 58.147 -2.847 1
1 1276 . 18 1 1 A 112 112 HIS CB C 112 28.800 31.289 -2.489 1
1 1277 . 18 1 1 A 112 112 HIS N N 112 119.000 118.574 0.426 1
1 1278 . 18 1 1 A 113 113 HIS H H 113 8.660 8.253 0.407 1
1 1279 . 18 1 1 A 113 113 HIS HA H 113 4.640 4.141 0.499 1
1 1282 . 18 1 1 A 113 113 HIS CA C 113 55.200 56.858 -1.658 1
1 1283 . 18 1 1 A 113 113 HIS CB C 113 28.900 28.221 0.679 1
1 1284 . 18 1 1 A 113 113 HIS N N 113 120.000 116.731 3.269 1
1 1285 . 18 1 1 A 114 114 HIS H H 114 8.630 7.802 0.828 1
1 1286 . 18 1 1 A 114 114 HIS HA H 114 4.610 4.901 -0.291 1
1 1289 . 18 1 1 A 114 114 HIS CA C 114 55.200 54.743 0.457 1
1 1290 . 18 1 1 A 114 114 HIS CB C 114 28.900 33.308 -4.408 1
1 1291 . 18 1 1 A 114 114 HIS N N 114 120.800 120.831 -0.031 1
1 9 . 19 1 1 A 2 2 GLN H H 2 8.840 8.787 0.053 1
1 10 . 19 1 1 A 2 2 GLN HA H 2 4.310 4.641 -0.331 1
1 17 . 19 1 1 A 2 2 GLN CA C 2 55.600 55.114 0.486 1
1 18 . 19 1 1 A 2 2 GLN CB C 2 29.900 31.822 -1.922 1
1 20 . 19 1 1 A 2 2 GLN N N 2 124.000 126.003 -2.003 1
1 22 . 19 1 1 A 3 3 ALA H H 3 8.780 8.579 0.201 1
1 23 . 19 1 1 A 3 3 ALA HA H 3 4.240 3.839 0.401 1
1 27 . 19 1 1 A 3 3 ALA CA C 3 52.600 52.571 0.029 1
1 28 . 19 1 1 A 3 3 ALA CB C 3 18.800 17.412 1.388 1
1 29 . 19 1 1 A 3 3 ALA N N 3 127.500 127.154 0.346 1
1 30 . 19 1 1 A 4 4 ILE H H 4 8.490 7.853 0.637 1
1 31 . 19 1 1 A 4 4 ILE HA H 4 3.820 3.859 -0.039 1
1 41 . 19 1 1 A 4 4 ILE CA C 4 63.700 63.892 -0.192 1
1 42 . 19 1 1 A 4 4 ILE CB C 4 37.800 37.551 0.249 1
1 46 . 19 1 1 A 4 4 ILE N N 4 120.900 122.556 -1.656 1
1 47 . 19 1 1 A 5 5 THR H H 5 7.730 7.915 -0.185 1
1 48 . 19 1 1 A 5 5 THR HA H 5 3.540 3.681 -0.141 1
1 53 . 19 1 1 A 5 5 THR CA C 5 64.700 65.280 -0.580 1
1 54 . 19 1 1 A 5 5 THR CB C 5 66.700 68.492 -1.792 1
1 56 . 19 1 1 A 5 5 THR N N 5 110.700 116.825 -6.125 1
1 57 . 19 1 1 A 6 6 GLU H H 6 7.220 8.211 -0.991 1
1 58 . 19 1 1 A 6 6 GLU HA H 6 3.940 4.013 -0.073 1
1 63 . 19 1 1 A 6 6 GLU CA C 6 59.200 59.276 -0.076 1
1 64 . 19 1 1 A 6 6 GLU CB C 6 28.900 29.133 -0.233 1
1 66 . 19 1 1 A 6 6 GLU N N 6 120.400 119.563 0.837 1
1 67 . 19 1 1 A 7 7 ARG H H 7 7.930 8.023 -0.093 1
1 68 . 19 1 1 A 7 7 ARG HA H 7 3.950 4.072 -0.122 1
1 75 . 19 1 1 A 7 7 ARG CA C 7 59.100 58.848 0.252 1
1 76 . 19 1 1 A 7 7 ARG CB C 7 30.100 29.648 0.452 1
1 79 . 19 1 1 A 7 7 ARG N N 7 119.900 118.977 0.923 1
1 80 . 19 1 1 A 8 8 LEU H H 8 8.130 8.198 -0.068 1
1 81 . 19 1 1 A 8 8 LEU HA H 8 4.150 3.904 0.246 1
1 91 . 19 1 1 A 8 8 LEU CA C 8 57.800 58.011 -0.211 1
1 92 . 19 1 1 A 8 8 LEU CB C 8 41.000 41.039 -0.039 1
1 96 . 19 1 1 A 8 8 LEU N N 8 119.600 121.385 -1.785 1
1 97 . 19 1 1 A 9 9 GLU H H 9 8.530 8.759 -0.229 1
1 98 . 19 1 1 A 9 9 GLU HA H 9 4.150 3.999 0.151 1
1 103 . 19 1 1 A 9 9 GLU CA C 9 59.100 59.706 -0.606 1
1 104 . 19 1 1 A 9 9 GLU CB C 9 28.300 29.459 -1.159 1
1 106 . 19 1 1 A 9 9 GLU N N 9 118.200 120.608 -2.408 1
1 107 . 19 1 1 A 10 10 ALA H H 10 7.800 8.123 -0.323 1
1 108 . 19 1 1 A 10 10 ALA HA H 10 4.230 4.075 0.155 1
1 112 . 19 1 1 A 10 10 ALA CA C 10 55.000 55.305 -0.305 1
1 113 . 19 1 1 A 10 10 ALA CB C 10 17.200 17.855 -0.655 1
1 114 . 19 1 1 A 10 10 ALA N N 10 122.900 121.994 0.906 1
1 115 . 19 1 1 A 11 11 MET H H 11 7.700 7.830 -0.130 1
1 116 . 19 1 1 A 11 11 MET HA H 11 4.040 4.177 -0.137 1
1 124 . 19 1 1 A 11 11 MET CA C 11 58.900 58.459 0.441 1
1 125 . 19 1 1 A 11 11 MET CB C 11 31.800 32.690 -0.890 1
1 128 . 19 1 1 A 11 11 MET N N 11 118.800 116.782 2.018 1
1 129 . 19 1 1 A 12 12 LEU H H 12 8.070 7.922 0.148 1
1 130 . 19 1 1 A 12 12 LEU HA H 12 4.870 4.042 0.828 1
1 140 . 19 1 1 A 12 12 LEU CA C 12 56.900 57.934 -1.034 1
1 141 . 19 1 1 A 12 12 LEU CB C 12 41.900 41.262 0.638 1
1 145 . 19 1 1 A 12 12 LEU N N 12 122.500 121.691 0.809 1
1 146 . 19 1 1 A 13 13 ALA H H 13 8.150 7.926 0.224 1
1 147 . 19 1 1 A 13 13 ALA HA H 13 4.130 4.214 -0.084 1
1 151 . 19 1 1 A 13 13 ALA CA C 13 54.100 53.728 0.372 1
1 152 . 19 1 1 A 13 13 ALA CB C 13 17.700 18.298 -0.598 1
1 153 . 19 1 1 A 13 13 ALA N N 13 122.300 120.247 2.053 1
1 154 . 19 1 1 A 14 14 GLN H H 14 7.560 7.640 -0.080 1
1 155 . 19 1 1 A 14 14 GLN HA H 14 4.340 4.409 -0.069 1
1 162 . 19 1 1 A 14 14 GLN CA C 14 55.500 55.520 -0.020 1
1 163 . 19 1 1 A 14 14 GLN CB C 14 28.700 29.181 -0.481 1
1 165 . 19 1 1 A 14 14 GLN N N 14 115.100 116.089 -0.989 1
1 167 . 19 1 1 A 15 15 GLY H H 15 7.870 7.939 -0.069 1
1 168 . 19 1 1 A 15 15 GLY HA2 H 15 3.720 3.945 -0.225 1
1 169 . 19 1 1 A 15 15 GLY HA3 H 15 4.430 3.947 0.483 1
1 170 . 19 1 1 A 15 15 GLY CA C 15 45.100 46.175 -1.075 1
1 171 . 19 1 1 A 15 15 GLY N N 15 106.800 107.907 -1.107 1
1 172 . 19 1 1 A 16 16 THR H H 16 7.980 7.550 0.430 1
1 173 . 19 1 1 A 16 16 THR HA H 16 4.190 4.377 -0.187 1
1 178 . 19 1 1 A 16 16 THR CA C 16 62.600 61.251 1.349 1
1 179 . 19 1 1 A 16 16 THR CB C 16 68.800 67.345 1.455 1
1 181 . 19 1 1 A 16 16 THR N N 16 120.800 115.882 4.918 1
1 182 . 19 1 1 A 17 17 ASP H H 17 8.110 9.073 -0.963 1
1 183 . 19 1 1 A 17 17 ASP HA H 17 4.830 4.965 -0.135 1
1 186 . 19 1 1 A 17 17 ASP CA C 17 53.300 53.086 0.214 1
1 187 . 19 1 1 A 17 17 ASP CB C 17 42.700 41.428 1.272 1
1 188 . 19 1 1 A 17 17 ASP N N 17 122.800 127.853 -5.053 1
1 189 . 19 1 1 A 18 18 ASN HA H 18 3.460 5.057 -1.597 1
1 194 . 19 1 1 A 18 18 ASN CA C 18 52.200 52.118 0.082 1
1 195 . 19 1 1 A 18 18 ASN CB C 18 39.600 40.942 -1.342 1
1 197 . 19 1 1 A 19 19 MET H H 19 8.260 8.700 -0.440 1
1 198 . 19 1 1 A 19 19 MET HA H 19 3.650 4.158 -0.508 1
1 206 . 19 1 1 A 19 19 MET CA C 19 61.100 58.236 2.864 1
1 207 . 19 1 1 A 19 19 MET CB C 19 32.900 32.412 0.488 1
1 210 . 19 1 1 A 19 19 MET N N 19 119.100 123.272 -4.172 1
1 211 . 19 1 1 A 20 20 LEU H H 20 8.350 7.982 0.368 1
1 212 . 19 1 1 A 20 20 LEU HA H 20 4.220 4.333 -0.113 1
1 222 . 19 1 1 A 20 20 LEU CA C 20 57.500 54.592 2.908 1
1 223 . 19 1 1 A 20 20 LEU CB C 20 41.200 41.288 -0.088 1
1 227 . 19 1 1 A 20 20 LEU N N 20 120.400 118.691 1.709 1
1 228 . 19 1 1 A 21 21 LEU H H 21 8.520 7.702 0.818 1
1 229 . 19 1 1 A 21 21 LEU HA H 21 3.910 4.503 -0.593 1
1 239 . 19 1 1 A 21 21 LEU CA C 21 59.200 56.517 2.683 1
1 240 . 19 1 1 A 21 21 LEU CB C 21 42.400 43.544 -1.144 1
1 244 . 19 1 1 A 21 21 LEU N N 21 125.500 120.963 4.537 1
1 245 . 19 1 1 A 22 22 ARG H H 22 7.830 8.150 -0.320 1
1 246 . 19 1 1 A 22 22 ARG HA H 22 4.230 4.068 0.162 1
1 253 . 19 1 1 A 22 22 ARG CA C 22 57.300 59.790 -2.490 1
1 254 . 19 1 1 A 22 22 ARG CB C 22 28.800 29.933 -1.133 1
1 257 . 19 1 1 A 22 22 ARG N N 22 117.200 119.231 -2.031 1
1 258 . 19 1 1 A 23 23 PHE H H 23 9.380 7.725 1.655 1
1 259 . 19 1 1 A 23 23 PHE HA H 23 3.950 4.076 -0.126 1
1 267 . 19 1 1 A 23 23 PHE CA C 23 61.500 61.087 0.413 1
1 268 . 19 1 1 A 23 23 PHE CB C 23 40.200 39.224 0.976 1
1 272 . 19 1 1 A 23 23 PHE N N 23 118.500 121.417 -2.917 1
1 273 . 19 1 1 A 24 24 THR H H 24 8.600 8.153 0.447 1
1 274 . 19 1 1 A 24 24 THR HA H 24 4.030 3.876 0.154 1
1 279 . 19 1 1 A 24 24 THR CA C 24 68.000 67.033 0.967 1
1 280 . 19 1 1 A 24 24 THR CB C 24 67.400 67.755 -0.355 1
1 282 . 19 1 1 A 24 24 THR N N 24 115.400 115.160 0.240 1
1 283 . 19 1 1 A 25 25 LEU H H 25 8.200 7.807 0.393 1
1 284 . 19 1 1 A 25 25 LEU HA H 25 3.390 3.674 -0.284 1
1 294 . 19 1 1 A 25 25 LEU CA C 25 58.200 57.948 0.252 1
1 295 . 19 1 1 A 25 25 LEU CB C 25 42.200 41.503 0.697 1
1 299 . 19 1 1 A 25 25 LEU N N 25 124.500 120.713 3.787 1
1 300 . 19 1 1 A 26 26 GLY H H 26 8.520 7.659 0.861 1
1 301 . 19 1 1 A 26 26 GLY HA2 H 26 3.910 3.686 0.224 1
1 302 . 19 1 1 A 26 26 GLY HA3 H 26 3.570 3.787 -0.217 1
1 303 . 19 1 1 A 26 26 GLY CA C 26 48.400 46.984 1.416 1
1 304 . 19 1 1 A 26 26 GLY N N 26 104.600 105.536 -0.936 1
1 305 . 19 1 1 A 27 27 LYS H H 27 8.730 7.675 1.055 1
1 306 . 19 1 1 A 27 27 LYS HA H 27 2.970 3.433 -0.463 1
1 315 . 19 1 1 A 27 27 LYS CA C 27 59.100 59.045 0.055 1
1 316 . 19 1 1 A 27 27 LYS CB C 27 31.400 31.876 -0.476 1
1 320 . 19 1 1 A 27 27 LYS N N 27 121.200 121.689 -0.489 1
1 321 . 19 1 1 A 28 28 THR H H 28 7.420 7.700 -0.280 1
1 322 . 19 1 1 A 28 28 THR HA H 28 3.680 3.832 -0.152 1
1 327 . 19 1 1 A 28 28 THR CA C 28 67.100 66.520 0.580 1
1 328 . 19 1 1 A 28 28 THR CB C 28 67.700 68.287 -0.587 1
1 330 . 19 1 1 A 28 28 THR N N 28 114.500 118.508 -4.008 1
1 331 . 19 1 1 A 29 29 TYR H H 29 8.220 7.906 0.314 1
1 332 . 19 1 1 A 29 29 TYR HA H 29 4.380 4.336 0.044 1
1 339 . 19 1 1 A 29 29 TYR CA C 29 61.400 60.766 0.634 1
1 340 . 19 1 1 A 29 29 TYR CB C 29 37.100 37.361 -0.261 1
1 343 . 19 1 1 A 29 29 TYR N N 29 120.400 120.841 -0.441 1
1 344 . 19 1 1 A 30 30 ALA H H 30 8.500 8.415 0.085 1
1 345 . 19 1 1 A 30 30 ALA HA H 30 3.770 4.012 -0.242 1
1 349 . 19 1 1 A 30 30 ALA CA C 30 56.000 55.293 0.707 1
1 350 . 19 1 1 A 30 30 ALA CB C 30 18.200 18.262 -0.062 1
1 351 . 19 1 1 A 30 30 ALA N N 30 123.300 123.156 0.144 1
1 352 . 19 1 1 A 31 31 GLU H H 31 8.940 7.972 0.968 1
1 353 . 19 1 1 A 31 31 GLU HA H 31 4.180 4.267 -0.087 1
1 358 . 19 1 1 A 31 31 GLU CA C 31 58.600 59.069 -0.469 1
1 359 . 19 1 1 A 31 31 GLU CB C 31 28.700 29.478 -0.778 1
1 361 . 19 1 1 A 31 31 GLU N N 31 120.700 119.650 1.050 1
1 362 . 19 1 1 A 32 32 HIS H H 32 7.340 7.202 0.138 1
1 363 . 19 1 1 A 32 32 HIS HA H 32 4.740 4.569 0.171 1
1 368 . 19 1 1 A 32 32 HIS CA C 32 54.800 55.749 -0.949 1
1 369 . 19 1 1 A 32 32 HIS CB C 32 28.200 29.843 -1.643 1
1 372 . 19 1 1 A 32 32 HIS N N 32 115.300 114.352 0.948 1
1 373 . 19 1 1 A 33 33 GLU H H 33 7.830 7.854 -0.024 1
1 374 . 19 1 1 A 33 33 GLU HA H 33 2.500 2.814 -0.314 1
1 379 . 19 1 1 A 33 33 GLU CA C 33 56.800 57.349 -0.549 1
1 380 . 19 1 1 A 33 33 GLU CB C 33 25.000 29.290 -4.290 1
1 382 . 19 1 1 A 33 33 GLU N N 33 112.200 117.713 -5.513 1
1 383 . 19 1 1 A 34 34 GLN H H 34 8.030 7.958 0.072 1
1 384 . 19 1 1 A 34 34 GLN HA H 34 4.460 4.256 0.204 1
1 391 . 19 1 1 A 34 34 GLN CA C 34 53.200 54.115 -0.915 1
1 392 . 19 1 1 A 34 34 GLN CB C 34 26.500 27.197 -0.697 1
1 394 . 19 1 1 A 34 34 GLN N N 34 121.000 119.067 1.933 1
1 396 . 19 1 1 A 35 35 PHE H H 35 7.050 7.239 -0.189 1
1 397 . 19 1 1 A 35 35 PHE HA H 35 4.180 4.273 -0.093 1
1 405 . 19 1 1 A 35 35 PHE CA C 35 60.700 60.889 -0.189 1
1 406 . 19 1 1 A 35 35 PHE CB C 35 38.200 38.444 -0.244 1
1 410 . 19 1 1 A 35 35 PHE N N 35 118.600 122.869 -4.269 1
1 411 . 19 1 1 A 36 36 ASP H H 36 8.410 8.321 0.089 1
1 412 . 19 1 1 A 36 36 ASP HA H 36 4.200 4.360 -0.160 1
1 415 . 19 1 1 A 36 36 ASP CA C 36 56.700 57.687 -0.987 1
1 416 . 19 1 1 A 36 36 ASP CB C 36 38.800 41.589 -2.789 1
1 417 . 19 1 1 A 36 36 ASP N N 36 117.000 119.987 -2.987 1
1 418 . 19 1 1 A 37 37 ALA H H 37 7.540 7.814 -0.274 1
1 419 . 19 1 1 A 37 37 ALA HA H 37 3.860 4.087 -0.227 1
1 423 . 19 1 1 A 37 37 ALA CA C 37 52.900 54.518 -1.618 1
1 424 . 19 1 1 A 37 37 ALA CB C 37 16.300 17.799 -1.499 1
1 425 . 19 1 1 A 37 37 ALA N N 37 120.900 121.179 -0.279 1
1 426 . 19 1 1 A 38 38 ALA H H 38 7.700 7.623 0.077 1
1 427 . 19 1 1 A 38 38 ALA HA H 38 4.210 4.233 -0.023 1
1 431 . 19 1 1 A 38 38 ALA CA C 38 55.100 55.169 -0.069 1
1 432 . 19 1 1 A 38 38 ALA CB C 38 20.500 18.319 2.181 1
1 433 . 19 1 1 A 38 38 ALA N N 38 117.600 120.336 -2.736 1
1 434 . 19 1 1 A 39 39 LEU H H 39 7.430 7.942 -0.512 1
1 435 . 19 1 1 A 39 39 LEU HA H 39 4.050 3.977 0.073 1
1 445 . 19 1 1 A 39 39 LEU CA C 39 60.500 60.062 0.438 1
1 446 . 19 1 1 A 39 39 LEU CB C 39 39.200 39.995 -0.795 1
1 450 . 19 1 1 A 39 39 LEU N N 39 114.900 118.622 -3.722 1
1 451 . 19 1 1 A 40 40 PRO HA H 40 4.180 4.301 -0.121 1
1 458 . 19 1 1 A 40 40 PRO CA C 40 65.100 65.699 -0.599 1
1 459 . 19 1 1 A 40 40 PRO CB C 40 30.600 30.787 -0.187 1
1 462 . 19 1 1 A 41 41 HIS H H 41 6.570 7.499 -0.929 1
1 463 . 19 1 1 A 41 41 HIS HA H 41 4.740 4.223 0.517 1
1 468 . 19 1 1 A 41 41 HIS CA C 41 58.800 59.597 -0.797 1
1 469 . 19 1 1 A 41 41 HIS CB C 41 30.800 29.822 0.978 1
1 472 . 19 1 1 A 41 41 HIS N N 41 116.500 116.278 0.222 1
1 473 . 19 1 1 A 42 42 LEU H H 42 8.140 8.606 -0.466 1
1 474 . 19 1 1 A 42 42 LEU HA H 42 4.120 4.039 0.081 1
1 484 . 19 1 1 A 42 42 LEU CA C 42 57.800 58.156 -0.356 1
1 485 . 19 1 1 A 42 42 LEU CB C 42 42.100 41.414 0.686 1
1 489 . 19 1 1 A 42 42 LEU N N 42 119.900 119.627 0.273 1
1 490 . 19 1 1 A 43 43 ARG H H 43 8.300 8.054 0.246 1
1 491 . 19 1 1 A 43 43 ARG HA H 43 3.740 4.090 -0.350 1
1 498 . 19 1 1 A 43 43 ARG CA C 43 59.700 59.319 0.381 1
1 499 . 19 1 1 A 43 43 ARG CB C 43 28.300 30.026 -1.726 1
1 502 . 19 1 1 A 43 43 ARG N N 43 116.400 120.902 -4.502 1
1 503 . 19 1 1 A 44 44 ALA H H 44 7.850 7.895 -0.045 1
1 504 . 19 1 1 A 44 44 ALA HA H 44 4.060 3.887 0.173 1
1 508 . 19 1 1 A 44 44 ALA CA C 44 54.600 54.766 -0.166 1
1 509 . 19 1 1 A 44 44 ALA CB C 44 17.000 17.951 -0.951 1
1 510 . 19 1 1 A 44 44 ALA N N 44 121.000 120.329 0.671 1
1 511 . 19 1 1 A 45 45 ALA H H 45 8.440 7.990 0.450 1
1 512 . 19 1 1 A 45 45 ALA HA H 45 4.270 4.285 -0.015 1
1 516 . 19 1 1 A 45 45 ALA CA C 45 56.200 55.041 1.159 1
1 517 . 19 1 1 A 45 45 ALA CB C 45 17.000 18.054 -1.054 1
1 518 . 19 1 1 A 45 45 ALA N N 45 121.200 120.572 0.628 1
1 519 . 19 1 1 A 46 46 LEU H H 46 7.310 8.363 -1.053 1
1 520 . 19 1 1 A 46 46 LEU HA H 46 4.010 4.076 -0.066 1
1 530 . 19 1 1 A 46 46 LEU CA C 46 55.900 57.889 -1.989 1
1 531 . 19 1 1 A 46 46 LEU CB C 46 42.200 41.426 0.774 1
1 535 . 19 1 1 A 46 46 LEU N N 46 116.800 118.662 -1.862 1
1 536 . 19 1 1 A 47 47 ASP H H 47 7.590 7.958 -0.368 1
1 537 . 19 1 1 A 47 47 ASP HA H 47 4.440 4.281 0.159 1
1 540 . 19 1 1 A 47 47 ASP CA C 47 55.500 56.996 -1.496 1
1 541 . 19 1 1 A 47 47 ASP CB C 47 39.200 40.519 -1.319 1
1 542 . 19 1 1 A 47 47 ASP N N 47 118.900 119.578 -0.678 1
1 543 . 19 1 1 A 48 48 PHE H H 48 7.490 7.744 -0.254 1
1 544 . 19 1 1 A 48 48 PHE HA H 48 4.450 4.319 0.131 1
1 552 . 19 1 1 A 48 48 PHE CA C 48 61.200 59.721 1.479 1
1 553 . 19 1 1 A 48 48 PHE CB C 48 39.600 39.609 -0.009 1
1 557 . 19 1 1 A 48 48 PHE N N 48 117.200 116.720 0.480 1
1 558 . 19 1 1 A 49 49 ASP H H 49 7.790 8.278 -0.488 1
1 559 . 19 1 1 A 49 49 ASP HA H 49 4.980 5.090 -0.110 1
1 562 . 19 1 1 A 49 49 ASP CA C 49 51.000 51.852 -0.852 1
1 563 . 19 1 1 A 49 49 ASP CB C 49 41.800 41.536 0.264 1
1 564 . 19 1 1 A 49 49 ASP N N 49 113.500 117.373 -3.873 1
1 565 . 19 1 1 A 50 50 PRO HA H 50 4.780 4.624 0.156 1
1 572 . 19 1 1 A 50 50 PRO CA C 50 64.000 64.221 -0.221 1
1 573 . 19 1 1 A 50 50 PRO CB C 50 32.000 31.922 0.078 1
1 576 . 19 1 1 A 51 51 THR H H 51 8.640 7.588 1.052 1
1 577 . 19 1 1 A 51 51 THR HA H 51 4.620 4.614 0.006 1
1 582 . 19 1 1 A 51 51 THR CA C 51 60.900 63.919 -3.019 1
1 583 . 19 1 1 A 51 51 THR CB C 51 68.600 68.881 -0.281 1
1 585 . 19 1 1 A 51 51 THR N N 51 111.900 112.001 -0.101 1
1 586 . 19 1 1 A 52 52 TYR H H 52 7.350 7.346 0.004 1
1 587 . 19 1 1 A 52 52 TYR HA H 52 4.820 4.453 0.367 1
1 594 . 19 1 1 A 52 52 TYR CA C 52 56.100 57.146 -1.046 1
1 595 . 19 1 1 A 52 52 TYR CB C 52 35.900 37.311 -1.411 1
1 598 . 19 1 1 A 52 52 TYR N N 52 122.600 121.649 0.951 1
1 599 . 19 1 1 A 53 53 SER H H 53 8.480 7.847 0.633 1
1 600 . 19 1 1 A 53 53 SER HA H 53 4.170 1.547 2.623 1
1 603 . 19 1 1 A 53 53 SER CA C 53 62.900 60.151 2.749 1
1 604 . 19 1 1 A 53 53 SER CB C 53 62.900 61.738 1.162 1
1 605 . 19 1 1 A 53 53 SER N N 53 127.100 117.417 9.683 1
1 606 . 19 1 1 A 54 54 VAL H H 54 7.860 7.788 0.072 1
1 607 . 19 1 1 A 54 54 VAL HA H 54 3.850 3.774 0.076 1
1 615 . 19 1 1 A 54 54 VAL CA C 54 65.500 66.447 -0.947 1
1 616 . 19 1 1 A 54 54 VAL CB C 54 31.200 31.662 -0.462 1
1 619 . 19 1 1 A 54 54 VAL N N 54 116.800 122.838 -6.038 1
1 620 . 19 1 1 A 55 55 ALA H H 55 7.120 7.894 -0.774 1
1 621 . 19 1 1 A 55 55 ALA HA H 55 4.490 4.488 0.002 1
1 625 . 19 1 1 A 55 55 ALA CA C 55 55.700 55.294 0.406 1
1 626 . 19 1 1 A 55 55 ALA CB C 55 16.700 18.587 -1.887 1
1 627 . 19 1 1 A 55 55 ALA N N 55 123.000 121.368 1.632 1
1 628 . 19 1 1 A 56 56 TRP H H 56 7.340 7.660 -0.320 1
1 629 . 19 1 1 A 56 56 TRP HA H 56 4.160 4.596 -0.436 1
1 638 . 19 1 1 A 56 56 TRP CA C 56 60.700 60.054 0.646 1
1 639 . 19 1 1 A 56 56 TRP CB C 56 30.100 29.028 1.072 1
1 645 . 19 1 1 A 56 56 TRP N N 56 119.300 119.167 0.133 1
1 647 . 19 1 1 A 57 57 LYS H H 57 8.330 8.125 0.205 1
1 648 . 19 1 1 A 57 57 LYS HA H 57 3.970 4.242 -0.272 1
1 657 . 19 1 1 A 57 57 LYS CA C 57 59.300 59.398 -0.098 1
1 658 . 19 1 1 A 57 57 LYS CB C 57 34.400 32.180 2.220 1
1 662 . 19 1 1 A 57 57 LYS N N 57 117.700 120.571 -2.871 1
1 663 . 19 1 1 A 58 58 TRP H H 58 8.170 8.094 0.076 1
1 664 . 19 1 1 A 58 58 TRP HA H 58 4.230 4.545 -0.315 1
1 673 . 19 1 1 A 58 58 TRP CA C 58 61.600 60.133 1.467 1
1 674 . 19 1 1 A 58 58 TRP CB C 58 29.000 29.970 -0.970 1
1 680 . 19 1 1 A 58 58 TRP N N 58 119.100 120.421 -1.321 1
1 682 . 19 1 1 A 59 59 LEU H H 59 9.500 8.734 0.766 1
1 683 . 19 1 1 A 59 59 LEU HA H 59 4.090 4.009 0.081 1
1 693 . 19 1 1 A 59 59 LEU CA C 59 58.500 58.020 0.480 1
1 694 . 19 1 1 A 59 59 LEU CB C 59 41.300 41.946 -0.646 1
1 698 . 19 1 1 A 59 59 LEU N N 59 127.300 121.444 5.856 1
1 699 . 19 1 1 A 60 60 GLY H H 60 8.480 8.111 0.369 1
1 700 . 19 1 1 A 60 60 GLY HA2 H 60 3.050 3.122 -0.072 1
1 701 . 19 1 1 A 60 60 GLY HA3 H 60 2.250 3.406 -1.156 1
1 702 . 19 1 1 A 60 60 GLY CA C 60 47.500 46.708 0.792 1
1 703 . 19 1 1 A 60 60 GLY N N 60 105.100 106.262 -1.162 1
1 704 . 19 1 1 A 61 61 LYS H H 61 7.680 7.731 -0.051 1
1 705 . 19 1 1 A 61 61 LYS HA H 61 3.890 3.787 0.103 1
1 714 . 19 1 1 A 61 61 LYS CA C 61 59.300 59.324 -0.024 1
1 715 . 19 1 1 A 61 61 LYS CB C 61 32.000 32.014 -0.014 1
1 719 . 19 1 1 A 61 61 LYS N N 61 118.600 121.944 -3.344 1
1 720 . 19 1 1 A 62 62 THR H H 62 8.030 8.066 -0.036 1
1 721 . 19 1 1 A 62 62 THR HA H 62 3.780 3.821 -0.041 1
1 726 . 19 1 1 A 62 62 THR CA C 62 67.400 67.147 0.253 1
1 727 . 19 1 1 A 62 62 THR CB C 62 66.300 68.495 -2.195 1
1 729 . 19 1 1 A 62 62 THR N N 62 120.100 118.770 1.330 1
1 730 . 19 1 1 A 63 63 LEU H H 63 8.090 8.174 -0.084 1
1 731 . 19 1 1 A 63 63 LEU HA H 63 4.080 3.770 0.310 1
1 741 . 19 1 1 A 63 63 LEU CA C 63 57.800 57.748 0.052 1
1 742 . 19 1 1 A 63 63 LEU CB C 63 40.800 40.769 0.031 1
1 746 . 19 1 1 A 63 63 LEU N N 63 121.400 120.789 0.611 1
1 747 . 19 1 1 A 64 64 GLN H H 64 8.300 8.203 0.097 1
1 748 . 19 1 1 A 64 64 GLN HA H 64 3.400 3.964 -0.564 1
1 755 . 19 1 1 A 64 64 GLN CA C 64 59.300 59.584 -0.284 1
1 756 . 19 1 1 A 64 64 GLN CB C 64 28.100 28.084 0.016 1
1 758 . 19 1 1 A 64 64 GLN N N 64 119.500 118.312 1.188 1
1 760 . 19 1 1 A 65 65 GLY H H 65 7.720 8.123 -0.403 1
1 761 . 19 1 1 A 65 65 GLY HA2 H 65 2.300 3.379 -1.079 1
1 762 . 19 1 1 A 65 65 GLY HA3 H 65 3.430 3.693 -0.263 1
1 763 . 19 1 1 A 65 65 GLY CA C 65 46.000 46.656 -0.656 1
1 764 . 19 1 1 A 65 65 GLY N N 65 110.300 107.297 3.003 1
1 765 . 19 1 1 A 66 66 GLN H H 66 7.250 7.029 0.221 1
1 766 . 19 1 1 A 66 66 GLN HA H 66 4.270 4.252 0.018 1
1 773 . 19 1 1 A 66 66 GLN CA C 66 55.900 56.617 -0.717 1
1 774 . 19 1 1 A 66 66 GLN CB C 66 30.000 29.342 0.658 1
1 776 . 19 1 1 A 66 66 GLN N N 66 117.500 119.703 -2.203 1
1 778 . 19 1 1 A 67 67 GLY H H 67 7.800 7.855 -0.055 1
1 779 . 19 1 1 A 67 67 GLY HA2 H 67 4.230 3.924 0.306 1
1 780 . 19 1 1 A 67 67 GLY HA3 H 67 3.660 3.926 -0.266 1
1 781 . 19 1 1 A 67 67 GLY CA C 67 44.800 46.293 -1.493 1
1 782 . 19 1 1 A 67 67 GLY N N 67 107.400 108.124 -0.724 1
1 783 . 19 1 1 A 68 68 ASP H H 68 8.100 7.792 0.308 1
1 784 . 19 1 1 A 68 68 ASP HA H 68 4.780 4.828 -0.048 1
1 787 . 19 1 1 A 68 68 ASP CA C 68 51.100 52.555 -1.455 1
1 788 . 19 1 1 A 68 68 ASP CB C 68 38.800 41.321 -2.521 1
1 789 . 19 1 1 A 68 68 ASP N N 68 121.600 120.322 1.278 1
1 790 . 19 1 1 A 69 69 ARG H H 69 7.770 8.728 -0.958 1
1 791 . 19 1 1 A 69 69 ARG HA H 69 3.650 4.029 -0.379 1
1 798 . 19 1 1 A 69 69 ARG CA C 69 59.800 59.493 0.307 1
1 799 . 19 1 1 A 69 69 ARG CB C 69 28.700 30.237 -1.537 1
1 802 . 19 1 1 A 69 69 ARG N N 69 123.700 126.273 -2.573 1
1 803 . 19 1 1 A 70 70 ALA H H 70 8.490 8.128 0.362 1
1 804 . 19 1 1 A 70 70 ALA HA H 70 4.040 4.038 0.002 1
1 808 . 19 1 1 A 70 70 ALA CA C 70 54.700 54.793 -0.093 1
1 809 . 19 1 1 A 70 70 ALA CB C 70 17.800 18.981 -1.181 1
1 810 . 19 1 1 A 70 70 ALA N N 70 122.400 122.138 0.262 1
1 811 . 19 1 1 A 71 71 GLY H H 71 8.540 8.826 -0.286 1
1 812 . 19 1 1 A 71 71 GLY HA2 H 71 3.570 3.679 -0.109 1
1 813 . 19 1 1 A 71 71 GLY HA3 H 71 3.710 3.693 0.017 1
1 814 . 19 1 1 A 71 71 GLY CA C 71 47.100 46.830 0.270 1
1 815 . 19 1 1 A 71 71 GLY N N 71 109.100 107.006 2.094 1
1 816 . 19 1 1 A 72 72 ALA H H 72 8.060 7.642 0.418 1
1 817 . 19 1 1 A 72 72 ALA HA H 72 3.310 3.098 0.212 1
1 821 . 19 1 1 A 72 72 ALA CA C 72 55.200 54.461 0.739 1
1 822 . 19 1 1 A 72 72 ALA CB C 72 17.200 18.440 -1.240 1
1 823 . 19 1 1 A 72 72 ALA N N 72 126.600 124.572 2.028 1
1 824 . 19 1 1 A 73 73 ARG H H 73 7.840 7.548 0.292 1
1 825 . 19 1 1 A 73 73 ARG HA H 73 3.760 4.324 -0.564 1
1 832 . 19 1 1 A 73 73 ARG CA C 73 59.700 59.321 0.379 1
1 833 . 19 1 1 A 73 73 ARG CB C 73 29.800 29.711 0.089 1
1 836 . 19 1 1 A 73 73 ARG N N 73 116.300 118.585 -2.285 1
1 837 . 19 1 1 A 74 74 GLN H H 74 7.690 8.135 -0.445 1
1 838 . 19 1 1 A 74 74 GLN HA H 74 3.970 4.047 -0.077 1
1 845 . 19 1 1 A 74 74 GLN CA C 74 58.800 59.038 -0.238 1
1 846 . 19 1 1 A 74 74 GLN CB C 74 28.400 28.815 -0.415 1
1 848 . 19 1 1 A 74 74 GLN N N 74 116.500 118.547 -2.047 1
1 850 . 19 1 1 A 75 75 ALA H H 75 8.160 7.337 0.823 1
1 851 . 19 1 1 A 75 75 ALA HA H 75 4.350 4.060 0.290 1
1 855 . 19 1 1 A 75 75 ALA CA C 75 54.400 54.960 -0.560 1
1 856 . 19 1 1 A 75 75 ALA CB C 75 17.600 18.111 -0.511 1
1 857 . 19 1 1 A 75 75 ALA N N 75 121.900 121.375 0.525 1
1 858 . 19 1 1 A 76 76 TRP H H 76 8.640 8.029 0.611 1
1 859 . 19 1 1 A 76 76 TRP HA H 76 4.640 4.539 0.101 1
1 868 . 19 1 1 A 76 76 TRP CA C 76 58.200 59.905 -1.705 1
1 869 . 19 1 1 A 76 76 TRP CB C 76 27.600 28.739 -1.139 1
1 875 . 19 1 1 A 76 76 TRP N N 76 118.400 118.880 -0.480 1
1 877 . 19 1 1 A 77 77 GLU H H 77 9.050 8.688 0.362 1
1 878 . 19 1 1 A 77 77 GLU HA H 77 4.010 4.039 -0.029 1
1 883 . 19 1 1 A 77 77 GLU CA C 77 58.900 59.856 -0.956 1
1 884 . 19 1 1 A 77 77 GLU CB C 77 28.100 29.568 -1.468 1
1 886 . 19 1 1 A 77 77 GLU N N 77 121.000 120.005 0.995 1
1 887 . 19 1 1 A 78 78 SER H H 78 8.280 7.769 0.511 1
1 888 . 19 1 1 A 78 78 SER HA H 78 3.800 4.172 -0.372 1
1 891 . 19 1 1 A 78 78 SER CA C 78 62.400 62.602 -0.202 1
1 892 . 19 1 1 A 78 78 SER CB C 78 68.000 62.569 5.431 1
1 893 . 19 1 1 A 78 78 SER N N 78 120.000 117.893 2.107 1
1 894 . 19 1 1 A 79 79 GLY H H 79 8.580 8.603 -0.023 1
1 895 . 19 1 1 A 79 79 GLY HA2 H 79 3.470 3.205 0.265 1
1 896 . 19 1 1 A 79 79 GLY HA3 H 79 3.580 3.720 -0.140 1
1 897 . 19 1 1 A 79 79 GLY CA C 79 47.000 46.807 0.193 1
1 898 . 19 1 1 A 79 79 GLY N N 79 111.000 109.296 1.704 1
1 899 . 19 1 1 A 80 80 LEU H H 80 8.640 8.724 -0.084 1
1 900 . 19 1 1 A 80 80 LEU HA H 80 3.830 4.129 -0.299 1
1 910 . 19 1 1 A 80 80 LEU CA C 80 58.200 57.616 0.584 1
1 911 . 19 1 1 A 80 80 LEU CB C 80 41.800 41.481 0.319 1
1 915 . 19 1 1 A 80 80 LEU N N 80 125.600 123.171 2.429 1
1 916 . 19 1 1 A 81 81 ALA H H 81 7.400 7.923 -0.523 1
1 917 . 19 1 1 A 81 81 ALA HA H 81 4.140 3.937 0.203 1
1 921 . 19 1 1 A 81 81 ALA CA C 81 54.600 55.248 -0.648 1
1 922 . 19 1 1 A 81 81 ALA CB C 81 17.500 17.955 -0.455 1
1 923 . 19 1 1 A 81 81 ALA N N 81 120.400 120.609 -0.209 1
1 924 . 19 1 1 A 82 82 ALA H H 82 7.640 7.556 0.084 1
1 925 . 19 1 1 A 82 82 ALA HA H 82 4.160 3.877 0.283 1
1 929 . 19 1 1 A 82 82 ALA CA C 82 54.700 54.766 -0.066 1
1 930 . 19 1 1 A 82 82 ALA CB C 82 17.200 17.933 -0.733 1
1 931 . 19 1 1 A 82 82 ALA N N 82 120.900 120.079 0.821 1
1 932 . 19 1 1 A 83 83 ALA H H 83 8.910 7.842 1.068 1
1 933 . 19 1 1 A 83 83 ALA HA H 83 4.260 4.350 -0.090 1
1 937 . 19 1 1 A 83 83 ALA CA C 83 54.900 55.406 -0.506 1
1 938 . 19 1 1 A 83 83 ALA CB C 83 18.600 17.990 0.610 1
1 939 . 19 1 1 A 83 83 ALA N N 83 122.000 120.271 1.729 1
1 940 . 19 1 1 A 84 84 GLN H H 84 8.770 8.450 0.320 1
1 941 . 19 1 1 A 84 84 GLN HA H 84 3.940 4.035 -0.095 1
1 948 . 19 1 1 A 84 84 GLN CA C 84 58.800 59.119 -0.319 1
1 949 . 19 1 1 A 84 84 GLN CB C 84 28.200 28.109 0.091 1
1 951 . 19 1 1 A 84 84 GLN N N 84 118.400 118.798 -0.398 1
1 953 . 19 1 1 A 85 85 SER H H 85 7.920 8.602 -0.682 1
1 954 . 19 1 1 A 85 85 SER HA H 85 4.250 4.083 0.167 1
1 957 . 19 1 1 A 85 85 SER CA C 85 61.200 61.768 -0.568 1
1 958 . 19 1 1 A 85 85 SER CB C 85 62.700 62.739 -0.039 1
1 959 . 19 1 1 A 85 85 SER N N 85 115.200 117.125 -1.925 1
1 960 . 19 1 1 A 86 86 ARG H H 86 7.590 7.715 -0.125 1
1 961 . 19 1 1 A 86 86 ARG HA H 86 4.380 4.415 -0.035 1
1 968 . 19 1 1 A 86 86 ARG CA C 86 55.800 56.012 -0.212 1
1 969 . 19 1 1 A 86 86 ARG CB C 86 31.200 30.833 0.367 1
1 972 . 19 1 1 A 86 86 ARG N N 86 117.800 118.259 -0.459 1
1 973 . 19 1 1 A 87 87 GLY H H 87 7.790 7.941 -0.151 1
1 974 . 19 1 1 A 87 87 GLY HA2 H 87 3.870 3.962 -0.092 1
1 975 . 19 1 1 A 87 87 GLY HA3 H 87 4.080 3.964 0.116 1
1 976 . 19 1 1 A 87 87 GLY CA C 87 46.100 46.565 -0.465 1
1 977 . 19 1 1 A 87 87 GLY N N 87 109.100 108.884 0.216 1
1 978 . 19 1 1 A 88 88 ASP H H 88 8.210 8.596 -0.386 1
1 979 . 19 1 1 A 88 88 ASP HA H 88 4.830 4.790 0.040 1
1 982 . 19 1 1 A 88 88 ASP CA C 88 52.100 52.466 -0.366 1
1 983 . 19 1 1 A 88 88 ASP CB C 88 39.000 39.856 -0.856 1
1 984 . 19 1 1 A 88 88 ASP N N 88 120.200 120.920 -0.720 1
1 985 . 19 1 1 A 89 89 GLN H H 89 8.110 8.555 -0.445 1
1 986 . 19 1 1 A 89 89 GLN HA H 89 3.840 4.074 -0.234 1
1 993 . 19 1 1 A 89 89 GLN CA C 89 58.500 59.208 -0.708 1
1 994 . 19 1 1 A 89 89 GLN CB C 89 28.000 28.320 -0.320 1
1 996 . 19 1 1 A 89 89 GLN N N 89 122.400 125.047 -2.647 1
1 998 . 19 1 1 A 90 90 GLN H H 90 8.720 7.995 0.725 1
1 999 . 19 1 1 A 90 90 GLN HA H 90 4.000 4.088 -0.088 1
1 1006 . 19 1 1 A 90 90 GLN CA C 90 58.800 58.702 0.098 1
1 1007 . 19 1 1 A 90 90 GLN CB C 90 27.800 28.567 -0.767 1
1 1009 . 19 1 1 A 90 90 GLN N N 90 119.100 120.086 -0.986 1
1 1011 . 19 1 1 A 91 91 VAL H H 91 7.170 8.158 -0.988 1
1 1012 . 19 1 1 A 91 91 VAL HA H 91 3.660 3.667 -0.007 1
1 1020 . 19 1 1 A 91 91 VAL CA C 91 65.500 66.392 -0.892 1
1 1021 . 19 1 1 A 91 91 VAL CB C 91 31.300 31.625 -0.325 1
1 1024 . 19 1 1 A 91 91 VAL N N 91 119.900 119.461 0.439 1
1 1025 . 19 1 1 A 92 92 VAL H H 92 7.880 7.851 0.029 1
1 1026 . 19 1 1 A 92 92 VAL HA H 92 3.240 3.576 -0.336 1
1 1034 . 19 1 1 A 92 92 VAL CA C 92 67.300 67.028 0.272 1
1 1035 . 19 1 1 A 92 92 VAL CB C 92 31.500 31.477 0.023 1
1 1038 . 19 1 1 A 92 92 VAL N N 92 119.900 120.566 -0.666 1
1 1039 . 19 1 1 A 93 93 LYS H H 93 7.480 8.180 -0.700 1
1 1040 . 19 1 1 A 93 93 LYS HA H 93 3.920 3.939 -0.019 1
1 1049 . 19 1 1 A 93 93 LYS CA C 93 59.300 59.470 -0.170 1
1 1050 . 19 1 1 A 93 93 LYS CB C 93 31.900 31.891 0.009 1
1 1054 . 19 1 1 A 93 93 LYS N N 93 116.000 118.552 -2.552 1
1 1055 . 19 1 1 A 94 94 GLU H H 94 7.480 8.036 -0.556 1
1 1056 . 19 1 1 A 94 94 GLU HA H 94 3.580 4.020 -0.440 1
1 1061 . 19 1 1 A 94 94 GLU CA C 94 58.600 58.851 -0.251 1
1 1062 . 19 1 1 A 94 94 GLU CB C 94 29.500 29.515 -0.015 1
1 1064 . 19 1 1 A 94 94 GLU N N 94 117.500 120.317 -2.817 1
1 1065 . 19 1 1 A 95 95 LEU H H 95 8.370 8.559 -0.189 1
1 1066 . 19 1 1 A 95 95 LEU HA H 95 3.530 4.297 -0.767 1
1 1076 . 19 1 1 A 95 95 LEU CA C 95 57.600 57.541 0.059 1
1 1077 . 19 1 1 A 95 95 LEU CB C 95 40.900 41.143 -0.243 1
1 1081 . 19 1 1 A 95 95 LEU N N 95 117.500 120.219 -2.719 1
1 1082 . 19 1 1 A 96 96 GLN H H 96 8.330 8.439 -0.109 1
1 1083 . 19 1 1 A 96 96 GLN HA H 96 3.980 3.886 0.094 1
1 1090 . 19 1 1 A 96 96 GLN CA C 96 58.900 59.233 -0.333 1
1 1091 . 19 1 1 A 96 96 GLN CB C 96 28.100 27.997 0.103 1
1 1093 . 19 1 1 A 96 96 GLN N N 96 117.600 119.814 -2.214 1
1 1095 . 19 1 1 A 97 97 VAL H H 97 7.450 7.507 -0.057 1
1 1096 . 19 1 1 A 97 97 VAL HA H 97 3.450 3.436 0.014 1
1 1104 . 19 1 1 A 97 97 VAL CA C 97 66.700 66.226 0.474 1
1 1105 . 19 1 1 A 97 97 VAL CB C 97 31.000 31.200 -0.200 1
1 1108 . 19 1 1 A 97 97 VAL N N 97 120.300 118.674 1.626 1
1 1109 . 19 1 1 A 98 98 PHE H H 98 7.460 7.243 0.217 1
1 1110 . 19 1 1 A 98 98 PHE HA H 98 3.980 4.012 -0.032 1
1 1118 . 19 1 1 A 98 98 PHE CA C 98 58.700 61.066 -2.366 1
1 1119 . 19 1 1 A 98 98 PHE CB C 98 35.500 37.594 -2.094 1
1 1123 . 19 1 1 A 98 98 PHE N N 98 119.100 118.093 1.007 1
1 1124 . 19 1 1 A 99 99 LEU H H 99 8.330 7.843 0.487 1
1 1125 . 19 1 1 A 99 99 LEU HA H 99 4.090 3.575 0.515 1
1 1135 . 19 1 1 A 99 99 LEU CA C 99 57.800 57.473 0.327 1
1 1136 . 19 1 1 A 99 99 LEU CB C 99 41.800 41.224 0.576 1
1 1140 . 19 1 1 A 99 99 LEU N N 99 119.300 119.741 -0.441 1
1 1141 . 19 1 1 A 100 100 ARG H H 100 8.350 7.794 0.556 1
1 1142 . 19 1 1 A 100 100 ARG HA H 100 4.110 3.987 0.123 1
1 1149 . 19 1 1 A 100 100 ARG CA C 100 59.300 59.425 -0.125 1
1 1150 . 19 1 1 A 100 100 ARG CB C 100 29.900 29.999 -0.099 1
1 1153 . 19 1 1 A 100 100 ARG N N 100 121.900 119.301 2.599 1
1 1154 . 19 1 1 A 101 101 ARG H H 101 8.110 7.787 0.323 1
1 1155 . 19 1 1 A 101 101 ARG HA H 101 4.020 4.057 -0.037 1
1 1162 . 19 1 1 A 101 101 ARG CA C 101 57.600 58.906 -1.306 1
1 1163 . 19 1 1 A 101 101 ARG CB C 101 30.200 29.783 0.417 1
1 1166 . 19 1 1 A 101 101 ARG N N 101 120.500 119.468 1.032 1
1 1167 . 19 1 1 A 102 102 LEU H H 102 7.890 8.212 -0.322 1
1 1168 . 19 1 1 A 102 102 LEU HA H 102 4.150 4.187 -0.037 1
1 1178 . 19 1 1 A 102 102 LEU CA C 102 57.600 57.919 -0.319 1
1 1179 . 19 1 1 A 102 102 LEU CB C 102 42.300 41.388 0.912 1
1 1183 . 19 1 1 A 102 102 LEU N N 102 119.900 121.480 -1.580 1
1 1184 . 19 1 1 A 103 103 ALA H H 103 7.880 8.390 -0.510 1
1 1185 . 19 1 1 A 103 103 ALA HA H 103 4.170 3.980 0.190 1
1 1189 . 19 1 1 A 103 103 ALA CA C 103 54.700 55.039 -0.339 1
1 1190 . 19 1 1 A 103 103 ALA CB C 103 17.800 18.260 -0.460 1
1 1191 . 19 1 1 A 103 103 ALA N N 103 120.000 120.527 -0.527 1
1 1192 . 19 1 1 A 104 104 ARG H H 104 8.060 7.534 0.526 1
1 1193 . 19 1 1 A 104 104 ARG HA H 104 4.130 4.145 -0.015 1
1 1200 . 19 1 1 A 104 104 ARG CA C 104 58.500 59.398 -0.898 1
1 1201 . 19 1 1 A 104 104 ARG CB C 104 29.800 29.968 -0.168 1
1 1204 . 19 1 1 A 104 104 ARG N N 104 119.800 117.404 2.396 1
1 1205 . 19 1 1 A 105 105 GLU H H 105 8.050 8.293 -0.243 1
1 1206 . 19 1 1 A 105 105 GLU HA H 105 4.020 4.131 -0.111 1
1 1211 . 19 1 1 A 105 105 GLU CA C 105 58.500 59.437 -0.937 1
1 1212 . 19 1 1 A 105 105 GLU CB C 105 28.900 29.537 -0.637 1
1 1214 . 19 1 1 A 105 105 GLU N N 105 119.700 120.000 -0.300 1
1 1215 . 19 1 1 A 106 106 ASP H H 106 8.360 8.860 -0.500 1
1 1216 . 19 1 1 A 106 106 ASP HA H 106 4.380 4.353 0.027 1
1 1219 . 19 1 1 A 106 106 ASP CA C 106 56.500 58.064 -1.564 1
1 1220 . 19 1 1 A 106 106 ASP CB C 106 40.500 41.955 -1.455 1
1 1221 . 19 1 1 A 106 106 ASP N N 106 119.800 119.916 -0.116 1
1 1222 . 19 1 1 A 107 107 ALA H H 107 7.910 8.056 -0.146 1
1 1223 . 19 1 1 A 107 107 ALA HA H 107 4.150 4.174 -0.024 1
1 1227 . 19 1 1 A 107 107 ALA CA C 107 54.200 54.895 -0.695 1
1 1228 . 19 1 1 A 107 107 ALA CB C 107 18.100 18.536 -0.436 1
1 1229 . 19 1 1 A 107 107 ALA N N 107 121.900 121.775 0.125 1
1 1230 . 19 1 1 A 108 108 LEU H H 108 7.840 7.448 0.392 1
1 1231 . 19 1 1 A 108 108 LEU HA H 108 4.120 4.213 -0.093 1
1 1241 . 19 1 1 A 108 108 LEU CA C 108 56.400 57.395 -0.995 1
1 1242 . 19 1 1 A 108 108 LEU CB C 108 42.000 41.804 0.196 1
1 1246 . 19 1 1 A 108 108 LEU N N 108 119.000 119.156 -0.156 1
1 1247 . 19 1 1 A 109 109 GLU H H 109 7.860 8.128 -0.268 1
1 1248 . 19 1 1 A 109 109 GLU HA H 109 4.090 4.599 -0.509 1
1 1253 . 19 1 1 A 109 109 GLU CA C 109 57.000 56.105 0.895 1
1 1254 . 19 1 1 A 109 109 GLU CB C 109 29.100 31.086 -1.986 1
1 1256 . 19 1 1 A 109 109 GLU N N 109 118.600 115.365 3.235 1
1 1257 . 19 1 1 A 110 110 HIS H H 110 8.140 7.973 0.167 1
1 1258 . 19 1 1 A 110 110 HIS HA H 110 4.560 4.943 -0.383 1
1 1261 . 19 1 1 A 110 110 HIS CA C 110 55.600 55.539 0.061 1
1 1262 . 19 1 1 A 110 110 HIS CB C 110 28.300 31.069 -2.769 1
1 1263 . 19 1 1 A 110 110 HIS N N 110 117.000 120.186 -3.186 1
1 1264 . 19 1 1 A 111 111 HIS H H 111 8.340 7.598 0.742 1
1 1265 . 19 1 1 A 111 111 HIS HA H 111 4.600 4.203 0.397 1
1 1268 . 19 1 1 A 111 111 HIS CA C 111 55.500 59.938 -4.438 1
1 1269 . 19 1 1 A 111 111 HIS CB C 111 28.500 30.735 -2.235 1
1 1270 . 19 1 1 A 111 111 HIS N N 111 117.800 119.288 -1.488 1
1 1271 . 19 1 1 A 112 112 HIS H H 112 8.530 7.775 0.755 1
1 1272 . 19 1 1 A 112 112 HIS HA H 112 4.620 4.699 -0.079 1
1 1275 . 19 1 1 A 112 112 HIS CA C 112 55.300 56.054 -0.754 1
1 1276 . 19 1 1 A 112 112 HIS CB C 112 28.800 30.901 -2.101 1
1 1277 . 19 1 1 A 112 112 HIS N N 112 119.000 113.688 5.312 1
1 1278 . 19 1 1 A 113 113 HIS H H 113 8.660 7.735 0.925 1
1 1279 . 19 1 1 A 113 113 HIS HA H 113 4.640 4.934 -0.294 1
1 1282 . 19 1 1 A 113 113 HIS CA C 113 55.200 53.989 1.211 1
1 1283 . 19 1 1 A 113 113 HIS CB C 113 28.900 31.311 -2.411 1
1 1284 . 19 1 1 A 113 113 HIS N N 113 120.000 118.878 1.122 1
1 1285 . 19 1 1 A 114 114 HIS H H 114 8.630 9.121 -0.491 1
1 1286 . 19 1 1 A 114 114 HIS HA H 114 4.610 4.605 0.005 1
1 1289 . 19 1 1 A 114 114 HIS CA C 114 55.200 57.471 -2.271 1
1 1290 . 19 1 1 A 114 114 HIS CB C 114 28.900 30.171 -1.271 1
1 1291 . 19 1 1 A 114 114 HIS N N 114 120.800 126.509 -5.709 1
1 9 . 20 1 1 A 2 2 GLN H H 2 8.840 8.611 0.229 1
1 10 . 20 1 1 A 2 2 GLN HA H 2 4.310 4.609 -0.299 1
1 17 . 20 1 1 A 2 2 GLN CA C 2 55.600 54.952 0.648 1
1 18 . 20 1 1 A 2 2 GLN CB C 2 29.900 30.244 -0.344 1
1 20 . 20 1 1 A 2 2 GLN N N 2 124.000 119.531 4.469 1
1 22 . 20 1 1 A 3 3 ALA H H 3 8.780 8.471 0.309 1
1 23 . 20 1 1 A 3 3 ALA HA H 3 4.240 3.978 0.262 1
1 27 . 20 1 1 A 3 3 ALA CA C 3 52.600 54.202 -1.602 1
1 28 . 20 1 1 A 3 3 ALA CB C 3 18.800 18.057 0.743 1
1 29 . 20 1 1 A 3 3 ALA N N 3 127.500 128.890 -1.390 1
1 30 . 20 1 1 A 4 4 ILE H H 4 8.490 8.632 -0.142 1
1 31 . 20 1 1 A 4 4 ILE HA H 4 3.820 3.800 0.020 1
1 41 . 20 1 1 A 4 4 ILE CA C 4 63.700 64.128 -0.428 1
1 42 . 20 1 1 A 4 4 ILE CB C 4 37.800 37.327 0.473 1
1 46 . 20 1 1 A 4 4 ILE N N 4 120.900 120.845 0.055 1
1 47 . 20 1 1 A 5 5 THR H H 5 7.730 7.959 -0.229 1
1 48 . 20 1 1 A 5 5 THR HA H 5 3.540 3.703 -0.163 1
1 53 . 20 1 1 A 5 5 THR CA C 5 64.700 66.866 -2.166 1
1 54 . 20 1 1 A 5 5 THR CB C 5 66.700 68.448 -1.748 1
1 56 . 20 1 1 A 5 5 THR N N 5 110.700 116.981 -6.281 1
1 57 . 20 1 1 A 6 6 GLU H H 6 7.220 7.586 -0.366 1
1 58 . 20 1 1 A 6 6 GLU HA H 6 3.940 3.936 0.004 1
1 63 . 20 1 1 A 6 6 GLU CA C 6 59.200 59.395 -0.195 1
1 64 . 20 1 1 A 6 6 GLU CB C 6 28.900 28.959 -0.059 1
1 66 . 20 1 1 A 6 6 GLU N N 6 120.400 118.650 1.750 1
1 67 . 20 1 1 A 7 7 ARG H H 7 7.930 8.021 -0.091 1
1 68 . 20 1 1 A 7 7 ARG HA H 7 3.950 4.051 -0.101 1
1 75 . 20 1 1 A 7 7 ARG CA C 7 59.100 58.767 0.333 1
1 76 . 20 1 1 A 7 7 ARG CB C 7 30.100 29.814 0.286 1
1 79 . 20 1 1 A 7 7 ARG N N 7 119.900 118.872 1.028 1
1 80 . 20 1 1 A 8 8 LEU H H 8 8.130 8.050 0.080 1
1 81 . 20 1 1 A 8 8 LEU HA H 8 4.150 4.018 0.132 1
1 91 . 20 1 1 A 8 8 LEU CA C 8 57.800 57.979 -0.179 1
1 92 . 20 1 1 A 8 8 LEU CB C 8 41.000 41.429 -0.429 1
1 96 . 20 1 1 A 8 8 LEU N N 8 119.600 120.638 -1.038 1
1 97 . 20 1 1 A 9 9 GLU H H 9 8.530 8.600 -0.070 1
1 98 . 20 1 1 A 9 9 GLU HA H 9 4.150 3.969 0.181 1
1 103 . 20 1 1 A 9 9 GLU CA C 9 59.100 59.215 -0.115 1
1 104 . 20 1 1 A 9 9 GLU CB C 9 28.300 29.440 -1.140 1
1 106 . 20 1 1 A 9 9 GLU N N 9 118.200 118.782 -0.582 1
1 107 . 20 1 1 A 10 10 ALA H H 10 7.800 8.018 -0.218 1
1 108 . 20 1 1 A 10 10 ALA HA H 10 4.230 4.083 0.147 1
1 112 . 20 1 1 A 10 10 ALA CA C 10 55.000 55.248 -0.248 1
1 113 . 20 1 1 A 10 10 ALA CB C 10 17.200 18.199 -0.999 1
1 114 . 20 1 1 A 10 10 ALA N N 10 122.900 122.485 0.415 1
1 115 . 20 1 1 A 11 11 MET H H 11 7.700 8.345 -0.645 1
1 116 . 20 1 1 A 11 11 MET HA H 11 4.040 4.167 -0.127 1
1 124 . 20 1 1 A 11 11 MET CA C 11 58.900 58.098 0.802 1
1 125 . 20 1 1 A 11 11 MET CB C 11 31.800 32.507 -0.707 1
1 128 . 20 1 1 A 11 11 MET N N 11 118.800 116.658 2.142 1
1 129 . 20 1 1 A 12 12 LEU H H 12 8.070 8.390 -0.320 1
1 130 . 20 1 1 A 12 12 LEU HA H 12 4.870 4.053 0.817 1
1 140 . 20 1 1 A 12 12 LEU CA C 12 56.900 58.011 -1.111 1
1 141 . 20 1 1 A 12 12 LEU CB C 12 41.900 41.492 0.408 1
1 145 . 20 1 1 A 12 12 LEU N N 12 122.500 123.873 -1.373 1
1 146 . 20 1 1 A 13 13 ALA H H 13 8.150 7.766 0.384 1
1 147 . 20 1 1 A 13 13 ALA HA H 13 4.130 4.091 0.039 1
1 151 . 20 1 1 A 13 13 ALA CA C 13 54.100 54.607 -0.507 1
1 152 . 20 1 1 A 13 13 ALA CB C 13 17.700 18.252 -0.552 1
1 153 . 20 1 1 A 13 13 ALA N N 13 122.300 120.204 2.096 1
1 154 . 20 1 1 A 14 14 GLN H H 14 7.560 7.358 0.202 1
1 155 . 20 1 1 A 14 14 GLN HA H 14 4.340 4.353 -0.013 1
1 162 . 20 1 1 A 14 14 GLN CA C 14 55.500 55.959 -0.459 1
1 163 . 20 1 1 A 14 14 GLN CB C 14 28.700 29.047 -0.347 1
1 165 . 20 1 1 A 14 14 GLN N N 14 115.100 115.651 -0.551 1
1 167 . 20 1 1 A 15 15 GLY H H 15 7.870 7.903 -0.033 1
1 168 . 20 1 1 A 15 15 GLY HA2 H 15 3.720 4.000 -0.280 1
1 169 . 20 1 1 A 15 15 GLY HA3 H 15 4.430 4.003 0.427 1
1 170 . 20 1 1 A 15 15 GLY CA C 15 45.100 45.337 -0.237 1
1 171 . 20 1 1 A 15 15 GLY N N 15 106.800 107.316 -0.516 1
1 172 . 20 1 1 A 16 16 THR H H 16 7.980 7.526 0.454 1
1 173 . 20 1 1 A 16 16 THR HA H 16 4.190 4.425 -0.235 1
1 178 . 20 1 1 A 16 16 THR CA C 16 62.600 61.357 1.243 1
1 179 . 20 1 1 A 16 16 THR CB C 16 68.800 67.505 1.295 1
1 181 . 20 1 1 A 16 16 THR N N 16 120.800 115.820 4.980 1
1 182 . 20 1 1 A 17 17 ASP H H 17 8.110 9.006 -0.896 1
1 183 . 20 1 1 A 17 17 ASP HA H 17 4.830 4.857 -0.027 1
1 186 . 20 1 1 A 17 17 ASP CA C 17 53.300 52.953 0.347 1
1 187 . 20 1 1 A 17 17 ASP CB C 17 42.700 40.732 1.968 1
1 188 . 20 1 1 A 17 17 ASP N N 17 122.800 127.906 -5.106 1
1 189 . 20 1 1 A 18 18 ASN HA H 18 3.460 4.922 -1.462 1
1 194 . 20 1 1 A 18 18 ASN CA C 18 52.200 52.104 0.096 1
1 195 . 20 1 1 A 18 18 ASN CB C 18 39.600 40.191 -0.591 1
1 197 . 20 1 1 A 19 19 MET H H 19 8.260 8.776 -0.516 1
1 198 . 20 1 1 A 19 19 MET HA H 19 3.650 4.181 -0.531 1
1 206 . 20 1 1 A 19 19 MET CA C 19 61.100 58.242 2.858 1
1 207 . 20 1 1 A 19 19 MET CB C 19 32.900 32.472 0.428 1
1 210 . 20 1 1 A 19 19 MET N N 19 119.100 123.634 -4.534 1
1 211 . 20 1 1 A 20 20 LEU H H 20 8.350 7.872 0.478 1
1 212 . 20 1 1 A 20 20 LEU HA H 20 4.220 4.206 0.014 1
1 222 . 20 1 1 A 20 20 LEU CA C 20 57.500 55.005 2.495 1
1 223 . 20 1 1 A 20 20 LEU CB C 20 41.200 41.129 0.071 1
1 227 . 20 1 1 A 20 20 LEU N N 20 120.400 117.910 2.490 1
1 228 . 20 1 1 A 21 21 LEU H H 21 8.520 7.703 0.817 1
1 229 . 20 1 1 A 21 21 LEU HA H 21 3.910 3.957 -0.047 1
1 239 . 20 1 1 A 21 21 LEU CA C 21 59.200 58.449 0.751 1
1 240 . 20 1 1 A 21 21 LEU CB C 21 42.400 41.542 0.858 1
1 244 . 20 1 1 A 21 21 LEU N N 21 125.500 122.062 3.438 1
1 245 . 20 1 1 A 22 22 ARG H H 22 7.830 8.235 -0.405 1
1 246 . 20 1 1 A 22 22 ARG HA H 22 4.230 4.071 0.159 1
1 253 . 20 1 1 A 22 22 ARG CA C 22 57.300 59.611 -2.311 1
1 254 . 20 1 1 A 22 22 ARG CB C 22 28.800 29.715 -0.915 1
1 257 . 20 1 1 A 22 22 ARG N N 22 117.200 119.157 -1.957 1
1 258 . 20 1 1 A 23 23 PHE H H 23 9.380 8.390 0.990 1
1 259 . 20 1 1 A 23 23 PHE HA H 23 3.950 4.065 -0.115 1
1 267 . 20 1 1 A 23 23 PHE CA C 23 61.500 61.113 0.387 1
1 268 . 20 1 1 A 23 23 PHE CB C 23 40.200 39.145 1.055 1
1 272 . 20 1 1 A 23 23 PHE N N 23 118.500 121.931 -3.431 1
1 273 . 20 1 1 A 24 24 THR H H 24 8.600 8.598 0.002 1
1 274 . 20 1 1 A 24 24 THR HA H 24 4.030 3.852 0.178 1
1 279 . 20 1 1 A 24 24 THR CA C 24 68.000 65.275 2.725 1
1 280 . 20 1 1 A 24 24 THR CB C 24 67.400 68.534 -1.134 1
1 282 . 20 1 1 A 24 24 THR N N 24 115.400 113.585 1.815 1
1 283 . 20 1 1 A 25 25 LEU H H 25 8.200 7.526 0.674 1
1 284 . 20 1 1 A 25 25 LEU HA H 25 3.390 3.894 -0.504 1
1 294 . 20 1 1 A 25 25 LEU CA C 25 58.200 57.619 0.581 1
1 295 . 20 1 1 A 25 25 LEU CB C 25 42.200 41.491 0.709 1
1 299 . 20 1 1 A 25 25 LEU N N 25 124.500 121.735 2.765 1
1 300 . 20 1 1 A 26 26 GLY H H 26 8.520 7.969 0.551 1
1 301 . 20 1 1 A 26 26 GLY HA2 H 26 3.910 3.568 0.342 1
1 302 . 20 1 1 A 26 26 GLY HA3 H 26 3.570 3.797 -0.227 1
1 303 . 20 1 1 A 26 26 GLY CA C 26 48.400 46.908 1.492 1
1 304 . 20 1 1 A 26 26 GLY N N 26 104.600 106.536 -1.936 1
1 305 . 20 1 1 A 27 27 LYS H H 27 8.730 7.435 1.295 1
1 306 . 20 1 1 A 27 27 LYS HA H 27 2.970 3.467 -0.497 1
1 315 . 20 1 1 A 27 27 LYS CA C 27 59.100 59.148 -0.048 1
1 316 . 20 1 1 A 27 27 LYS CB C 27 31.400 31.953 -0.553 1
1 320 . 20 1 1 A 27 27 LYS N N 27 121.200 121.473 -0.273 1
1 321 . 20 1 1 A 28 28 THR H H 28 7.420 7.351 0.069 1
1 322 . 20 1 1 A 28 28 THR HA H 28 3.680 3.833 -0.153 1
1 327 . 20 1 1 A 28 28 THR CA C 28 67.100 66.386 0.714 1
1 328 . 20 1 1 A 28 28 THR CB C 28 67.700 68.179 -0.479 1
1 330 . 20 1 1 A 28 28 THR N N 28 114.500 117.450 -2.950 1
1 331 . 20 1 1 A 29 29 TYR H H 29 8.220 7.282 0.938 1
1 332 . 20 1 1 A 29 29 TYR HA H 29 4.380 4.282 0.098 1
1 339 . 20 1 1 A 29 29 TYR CA C 29 61.400 59.939 1.461 1
1 340 . 20 1 1 A 29 29 TYR CB C 29 37.100 37.002 0.098 1
1 343 . 20 1 1 A 29 29 TYR N N 29 120.400 120.828 -0.428 1
1 344 . 20 1 1 A 30 30 ALA H H 30 8.500 8.474 0.026 1
1 345 . 20 1 1 A 30 30 ALA HA H 30 3.770 3.633 0.137 1
1 349 . 20 1 1 A 30 30 ALA CA C 30 56.000 54.914 1.086 1
1 350 . 20 1 1 A 30 30 ALA CB C 30 18.200 18.391 -0.191 1
1 351 . 20 1 1 A 30 30 ALA N N 30 123.300 123.024 0.276 1
1 352 . 20 1 1 A 31 31 GLU H H 31 8.940 8.204 0.736 1
1 353 . 20 1 1 A 31 31 GLU HA H 31 4.180 4.141 0.039 1
1 358 . 20 1 1 A 31 31 GLU CA C 31 58.600 58.487 0.113 1
1 359 . 20 1 1 A 31 31 GLU CB C 31 28.700 29.226 -0.526 1
1 361 . 20 1 1 A 31 31 GLU N N 31 120.700 119.422 1.278 1
1 362 . 20 1 1 A 32 32 HIS H H 32 7.340 7.265 0.075 1
1 363 . 20 1 1 A 32 32 HIS HA H 32 4.740 4.570 0.170 1
1 368 . 20 1 1 A 32 32 HIS CA C 32 54.800 55.661 -0.861 1
1 369 . 20 1 1 A 32 32 HIS CB C 32 28.200 29.802 -1.602 1
1 372 . 20 1 1 A 32 32 HIS N N 32 115.300 115.887 -0.587 1
1 373 . 20 1 1 A 33 33 GLU H H 33 7.830 7.954 -0.124 1
1 374 . 20 1 1 A 33 33 GLU HA H 33 2.500 3.504 -1.004 1
1 379 . 20 1 1 A 33 33 GLU CA C 33 56.800 57.718 -0.918 1
1 380 . 20 1 1 A 33 33 GLU CB C 33 25.000 29.387 -4.387 1
1 382 . 20 1 1 A 33 33 GLU N N 33 112.200 117.981 -5.781 1
1 383 . 20 1 1 A 34 34 GLN H H 34 8.030 8.368 -0.338 1
1 384 . 20 1 1 A 34 34 GLN HA H 34 4.460 4.619 -0.159 1
1 391 . 20 1 1 A 34 34 GLN CA C 34 53.200 53.842 -0.642 1
1 392 . 20 1 1 A 34 34 GLN CB C 34 26.500 26.692 -0.192 1
1 394 . 20 1 1 A 34 34 GLN N N 34 121.000 119.037 1.963 1
1 396 . 20 1 1 A 35 35 PHE H H 35 7.050 7.902 -0.852 1
1 397 . 20 1 1 A 35 35 PHE HA H 35 4.180 4.145 0.035 1
1 405 . 20 1 1 A 35 35 PHE CA C 35 60.700 60.929 -0.229 1
1 406 . 20 1 1 A 35 35 PHE CB C 35 38.200 38.549 -0.349 1
1 410 . 20 1 1 A 35 35 PHE N N 35 118.600 120.723 -2.123 1
1 411 . 20 1 1 A 36 36 ASP H H 36 8.410 8.379 0.031 1
1 412 . 20 1 1 A 36 36 ASP HA H 36 4.200 4.362 -0.162 1
1 415 . 20 1 1 A 36 36 ASP CA C 36 56.700 57.709 -1.009 1
1 416 . 20 1 1 A 36 36 ASP CB C 36 38.800 41.856 -3.056 1
1 417 . 20 1 1 A 36 36 ASP N N 36 117.000 120.635 -3.635 1
1 418 . 20 1 1 A 37 37 ALA H H 37 7.540 7.935 -0.395 1
1 419 . 20 1 1 A 37 37 ALA HA H 37 3.860 4.066 -0.206 1
1 423 . 20 1 1 A 37 37 ALA CA C 37 52.900 54.545 -1.645 1
1 424 . 20 1 1 A 37 37 ALA CB C 37 16.300 17.968 -1.668 1
1 425 . 20 1 1 A 37 37 ALA N N 37 120.900 121.151 -0.251 1
1 426 . 20 1 1 A 38 38 ALA H H 38 7.700 7.790 -0.090 1
1 427 . 20 1 1 A 38 38 ALA HA H 38 4.210 4.084 0.126 1
1 431 . 20 1 1 A 38 38 ALA CA C 38 55.100 55.048 0.052 1
1 432 . 20 1 1 A 38 38 ALA CB C 38 20.500 18.278 2.222 1
1 433 . 20 1 1 A 38 38 ALA N N 38 117.600 120.697 -3.097 1
1 434 . 20 1 1 A 39 39 LEU H H 39 7.430 8.395 -0.965 1
1 435 . 20 1 1 A 39 39 LEU HA H 39 4.050 4.181 -0.131 1
1 445 . 20 1 1 A 39 39 LEU CA C 39 60.500 59.823 0.677 1
1 446 . 20 1 1 A 39 39 LEU CB C 39 39.200 40.149 -0.949 1
1 450 . 20 1 1 A 39 39 LEU N N 39 114.900 120.317 -5.417 1
1 451 . 20 1 1 A 40 40 PRO HA H 40 4.180 4.315 -0.135 1
1 458 . 20 1 1 A 40 40 PRO CA C 40 65.100 65.827 -0.727 1
1 459 . 20 1 1 A 40 40 PRO CB C 40 30.600 31.024 -0.424 1
1 462 . 20 1 1 A 41 41 HIS H H 41 6.570 7.276 -0.706 1
1 463 . 20 1 1 A 41 41 HIS HA H 41 4.740 4.186 0.554 1
1 468 . 20 1 1 A 41 41 HIS CA C 41 58.800 59.499 -0.699 1
1 469 . 20 1 1 A 41 41 HIS CB C 41 30.800 29.961 0.839 1
1 472 . 20 1 1 A 41 41 HIS N N 41 116.500 116.155 0.345 1
1 473 . 20 1 1 A 42 42 LEU H H 42 8.140 8.569 -0.429 1
1 474 . 20 1 1 A 42 42 LEU HA H 42 4.120 4.001 0.119 1
1 484 . 20 1 1 A 42 42 LEU CA C 42 57.800 58.313 -0.513 1
1 485 . 20 1 1 A 42 42 LEU CB C 42 42.100 41.382 0.718 1
1 489 . 20 1 1 A 42 42 LEU N N 42 119.900 119.624 0.276 1
1 490 . 20 1 1 A 43 43 ARG H H 43 8.300 8.439 -0.139 1
1 491 . 20 1 1 A 43 43 ARG HA H 43 3.740 4.088 -0.348 1
1 498 . 20 1 1 A 43 43 ARG CA C 43 59.700 59.472 0.228 1
1 499 . 20 1 1 A 43 43 ARG CB C 43 28.300 30.091 -1.791 1
1 502 . 20 1 1 A 43 43 ARG N N 43 116.400 120.347 -3.947 1
1 503 . 20 1 1 A 44 44 ALA H H 44 7.850 8.102 -0.252 1
1 504 . 20 1 1 A 44 44 ALA HA H 44 4.060 4.133 -0.073 1
1 508 . 20 1 1 A 44 44 ALA CA C 44 54.600 54.948 -0.348 1
1 509 . 20 1 1 A 44 44 ALA CB C 44 17.000 18.250 -1.250 1
1 510 . 20 1 1 A 44 44 ALA N N 44 121.000 120.240 0.760 1
1 511 . 20 1 1 A 45 45 ALA H H 45 8.440 7.741 0.699 1
1 512 . 20 1 1 A 45 45 ALA HA H 45 4.270 4.161 0.109 1
1 516 . 20 1 1 A 45 45 ALA CA C 45 56.200 55.083 1.117 1
1 517 . 20 1 1 A 45 45 ALA CB C 45 17.000 18.384 -1.384 1
1 518 . 20 1 1 A 45 45 ALA N N 45 121.200 120.782 0.418 1
1 519 . 20 1 1 A 46 46 LEU H H 46 7.310 8.498 -1.188 1
1 520 . 20 1 1 A 46 46 LEU HA H 46 4.010 4.179 -0.169 1
1 530 . 20 1 1 A 46 46 LEU CA C 46 55.900 57.862 -1.962 1
1 531 . 20 1 1 A 46 46 LEU CB C 46 42.200 41.149 1.051 1
1 535 . 20 1 1 A 46 46 LEU N N 46 116.800 118.618 -1.818 1
1 536 . 20 1 1 A 47 47 ASP H H 47 7.590 8.403 -0.813 1
1 537 . 20 1 1 A 47 47 ASP HA H 47 4.440 4.369 0.071 1
1 540 . 20 1 1 A 47 47 ASP CA C 47 55.500 57.408 -1.908 1
1 541 . 20 1 1 A 47 47 ASP CB C 47 39.200 41.505 -2.305 1
1 542 . 20 1 1 A 47 47 ASP N N 47 118.900 119.877 -0.977 1
1 543 . 20 1 1 A 48 48 PHE H H 48 7.490 7.499 -0.009 1
1 544 . 20 1 1 A 48 48 PHE HA H 48 4.450 4.196 0.254 1
1 552 . 20 1 1 A 48 48 PHE CA C 48 61.200 60.957 0.243 1
1 553 . 20 1 1 A 48 48 PHE CB C 48 39.600 39.824 -0.224 1
1 557 . 20 1 1 A 48 48 PHE N N 48 117.200 119.830 -2.630 1
1 558 . 20 1 1 A 49 49 ASP H H 49 7.790 8.640 -0.850 1
1 559 . 20 1 1 A 49 49 ASP HA H 49 4.980 4.963 0.017 1
1 562 . 20 1 1 A 49 49 ASP CA C 49 51.000 50.908 0.092 1
1 563 . 20 1 1 A 49 49 ASP CB C 49 41.800 41.569 0.231 1
1 564 . 20 1 1 A 49 49 ASP N N 49 113.500 118.427 -4.927 1
1 565 . 20 1 1 A 50 50 PRO HA H 50 4.780 4.756 0.024 1
1 572 . 20 1 1 A 50 50 PRO CA C 50 64.000 64.117 -0.117 1
1 573 . 20 1 1 A 50 50 PRO CB C 50 32.000 31.839 0.161 1
1 576 . 20 1 1 A 51 51 THR H H 51 8.640 7.847 0.793 1
1 577 . 20 1 1 A 51 51 THR HA H 51 4.620 4.660 -0.040 1
1 582 . 20 1 1 A 51 51 THR CA C 51 60.900 62.142 -1.242 1
1 583 . 20 1 1 A 51 51 THR CB C 51 68.600 69.753 -1.153 1
1 585 . 20 1 1 A 51 51 THR N N 51 111.900 108.959 2.941 1
1 586 . 20 1 1 A 52 52 TYR H H 52 7.350 7.857 -0.507 1
1 587 . 20 1 1 A 52 52 TYR HA H 52 4.820 4.520 0.300 1
1 594 . 20 1 1 A 52 52 TYR CA C 52 56.100 55.791 0.309 1
1 595 . 20 1 1 A 52 52 TYR CB C 52 35.900 37.435 -1.535 1
1 598 . 20 1 1 A 52 52 TYR N N 52 122.600 123.715 -1.115 1
1 599 . 20 1 1 A 53 53 SER H H 53 8.480 7.515 0.965 1
1 600 . 20 1 1 A 53 53 SER HA H 53 4.170 1.267 2.903 1
1 603 . 20 1 1 A 53 53 SER CA C 53 62.900 61.361 1.539 1
1 604 . 20 1 1 A 53 53 SER CB C 53 62.900 62.391 0.509 1
1 605 . 20 1 1 A 53 53 SER N N 53 127.100 122.068 5.032 1
1 606 . 20 1 1 A 54 54 VAL H H 54 7.860 7.341 0.519 1
1 607 . 20 1 1 A 54 54 VAL HA H 54 3.850 3.643 0.207 1
1 615 . 20 1 1 A 54 54 VAL CA C 54 65.500 66.408 -0.908 1
1 616 . 20 1 1 A 54 54 VAL CB C 54 31.200 31.215 -0.015 1
1 619 . 20 1 1 A 54 54 VAL N N 54 116.800 121.399 -4.599 1
1 620 . 20 1 1 A 55 55 ALA H H 55 7.120 8.015 -0.895 1
1 621 . 20 1 1 A 55 55 ALA HA H 55 4.490 4.520 -0.030 1
1 625 . 20 1 1 A 55 55 ALA CA C 55 55.700 55.187 0.513 1
1 626 . 20 1 1 A 55 55 ALA CB C 55 16.700 18.432 -1.732 1
1 627 . 20 1 1 A 55 55 ALA N N 55 123.000 121.194 1.806 1
1 628 . 20 1 1 A 56 56 TRP H H 56 7.340 7.512 -0.172 1
1 629 . 20 1 1 A 56 56 TRP HA H 56 4.160 4.588 -0.428 1
1 638 . 20 1 1 A 56 56 TRP CA C 56 60.700 60.128 0.572 1
1 639 . 20 1 1 A 56 56 TRP CB C 56 30.100 28.998 1.102 1
1 645 . 20 1 1 A 56 56 TRP N N 56 119.300 118.461 0.839 1
1 647 . 20 1 1 A 57 57 LYS H H 57 8.330 7.957 0.373 1
1 648 . 20 1 1 A 57 57 LYS HA H 57 3.970 4.312 -0.342 1
1 657 . 20 1 1 A 57 57 LYS CA C 57 59.300 59.368 -0.068 1
1 658 . 20 1 1 A 57 57 LYS CB C 57 34.400 32.034 2.366 1
1 662 . 20 1 1 A 57 57 LYS N N 57 117.700 120.300 -2.600 1
1 663 . 20 1 1 A 58 58 TRP H H 58 8.170 8.224 -0.054 1
1 664 . 20 1 1 A 58 58 TRP HA H 58 4.230 4.681 -0.451 1
1 673 . 20 1 1 A 58 58 TRP CA C 58 61.600 60.116 1.484 1
1 674 . 20 1 1 A 58 58 TRP CB C 58 29.000 29.907 -0.907 1
1 680 . 20 1 1 A 58 58 TRP N N 58 119.100 120.415 -1.315 1
1 682 . 20 1 1 A 59 59 LEU H H 59 9.500 8.757 0.743 1
1 683 . 20 1 1 A 59 59 LEU HA H 59 4.090 4.100 -0.010 1
1 693 . 20 1 1 A 59 59 LEU CA C 59 58.500 58.122 0.378 1
1 694 . 20 1 1 A 59 59 LEU CB C 59 41.300 42.083 -0.783 1
1 698 . 20 1 1 A 59 59 LEU N N 59 127.300 121.541 5.759 1
1 699 . 20 1 1 A 60 60 GLY H H 60 8.480 8.030 0.450 1
1 700 . 20 1 1 A 60 60 GLY HA2 H 60 3.050 3.353 -0.303 1
1 701 . 20 1 1 A 60 60 GLY HA3 H 60 2.250 3.528 -1.278 1
1 702 . 20 1 1 A 60 60 GLY CA C 60 47.500 46.984 0.516 1
1 703 . 20 1 1 A 60 60 GLY N N 60 105.100 106.052 -0.952 1
1 704 . 20 1 1 A 61 61 LYS H H 61 7.680 7.740 -0.060 1
1 705 . 20 1 1 A 61 61 LYS HA H 61 3.890 3.864 0.026 1
1 714 . 20 1 1 A 61 61 LYS CA C 61 59.300 59.326 -0.026 1
1 715 . 20 1 1 A 61 61 LYS CB C 61 32.000 32.133 -0.133 1
1 719 . 20 1 1 A 61 61 LYS N N 61 118.600 122.348 -3.748 1
1 720 . 20 1 1 A 62 62 THR H H 62 8.030 8.334 -0.304 1
1 721 . 20 1 1 A 62 62 THR HA H 62 3.780 4.311 -0.531 1
1 726 . 20 1 1 A 62 62 THR CA C 62 67.400 67.066 0.334 1
1 727 . 20 1 1 A 62 62 THR CB C 62 66.300 68.015 -1.715 1
1 729 . 20 1 1 A 62 62 THR N N 62 120.100 118.133 1.967 1
1 730 . 20 1 1 A 63 63 LEU H H 63 8.090 8.127 -0.037 1
1 731 . 20 1 1 A 63 63 LEU HA H 63 4.080 3.826 0.254 1
1 741 . 20 1 1 A 63 63 LEU CA C 63 57.800 57.704 0.096 1
1 742 . 20 1 1 A 63 63 LEU CB C 63 40.800 40.943 -0.143 1
1 746 . 20 1 1 A 63 63 LEU N N 63 121.400 121.178 0.222 1
1 747 . 20 1 1 A 64 64 GLN H H 64 8.300 8.146 0.154 1
1 748 . 20 1 1 A 64 64 GLN HA H 64 3.400 3.839 -0.439 1
1 755 . 20 1 1 A 64 64 GLN CA C 64 59.300 59.332 -0.032 1
1 756 . 20 1 1 A 64 64 GLN CB C 64 28.100 28.158 -0.058 1
1 758 . 20 1 1 A 64 64 GLN N N 64 119.500 118.724 0.776 1
1 760 . 20 1 1 A 65 65 GLY H H 65 7.720 7.604 0.116 1
1 761 . 20 1 1 A 65 65 GLY HA2 H 65 2.300 1.987 0.313 1
1 762 . 20 1 1 A 65 65 GLY HA3 H 65 3.430 3.333 0.097 1
1 763 . 20 1 1 A 65 65 GLY CA C 65 46.000 46.129 -0.129 1
1 764 . 20 1 1 A 65 65 GLY N N 65 110.300 106.612 3.688 1
1 765 . 20 1 1 A 66 66 GLN H H 66 7.250 7.269 -0.019 1
1 766 . 20 1 1 A 66 66 GLN HA H 66 4.270 4.332 -0.062 1
1 773 . 20 1 1 A 66 66 GLN CA C 66 55.900 56.649 -0.749 1
1 774 . 20 1 1 A 66 66 GLN CB C 66 30.000 29.254 0.746 1
1 776 . 20 1 1 A 66 66 GLN N N 66 117.500 119.782 -2.282 1
1 778 . 20 1 1 A 67 67 GLY H H 67 7.800 7.460 0.340 1
1 779 . 20 1 1 A 67 67 GLY HA2 H 67 4.230 3.863 0.367 1
1 780 . 20 1 1 A 67 67 GLY HA3 H 67 3.660 3.881 -0.221 1
1 781 . 20 1 1 A 67 67 GLY CA C 67 44.800 45.591 -0.791 1
1 782 . 20 1 1 A 67 67 GLY N N 67 107.400 108.501 -1.101 1
1 783 . 20 1 1 A 68 68 ASP H H 68 8.100 8.029 0.071 1
1 784 . 20 1 1 A 68 68 ASP HA H 68 4.780 4.804 -0.024 1
1 787 . 20 1 1 A 68 68 ASP CA C 68 51.100 52.419 -1.319 1
1 788 . 20 1 1 A 68 68 ASP CB C 68 38.800 40.179 -1.379 1
1 789 . 20 1 1 A 68 68 ASP N N 68 121.600 120.738 0.862 1
1 790 . 20 1 1 A 69 69 ARG H H 69 7.770 8.654 -0.884 1
1 791 . 20 1 1 A 69 69 ARG HA H 69 3.650 3.994 -0.344 1
1 798 . 20 1 1 A 69 69 ARG CA C 69 59.800 58.891 0.909 1
1 799 . 20 1 1 A 69 69 ARG CB C 69 28.700 29.911 -1.211 1
1 802 . 20 1 1 A 69 69 ARG N N 69 123.700 125.538 -1.838 1
1 803 . 20 1 1 A 70 70 ALA H H 70 8.490 8.107 0.383 1
1 804 . 20 1 1 A 70 70 ALA HA H 70 4.040 4.018 0.022 1
1 808 . 20 1 1 A 70 70 ALA CA C 70 54.700 54.831 -0.131 1
1 809 . 20 1 1 A 70 70 ALA CB C 70 17.800 18.842 -1.042 1
1 810 . 20 1 1 A 70 70 ALA N N 70 122.400 122.230 0.170 1
1 811 . 20 1 1 A 71 71 GLY H H 71 8.540 8.756 -0.216 1
1 812 . 20 1 1 A 71 71 GLY HA2 H 71 3.570 3.683 -0.113 1
1 813 . 20 1 1 A 71 71 GLY HA3 H 71 3.710 3.702 0.008 1
1 814 . 20 1 1 A 71 71 GLY CA C 71 47.100 47.137 -0.037 1
1 815 . 20 1 1 A 71 71 GLY N N 71 109.100 108.405 0.695 1
1 816 . 20 1 1 A 72 72 ALA H H 72 8.060 7.188 0.872 1
1 817 . 20 1 1 A 72 72 ALA HA H 72 3.310 3.064 0.246 1
1 821 . 20 1 1 A 72 72 ALA CA C 72 55.200 54.330 0.870 1
1 822 . 20 1 1 A 72 72 ALA CB C 72 17.200 18.149 -0.949 1
1 823 . 20 1 1 A 72 72 ALA N N 72 126.600 124.370 2.230 1
1 824 . 20 1 1 A 73 73 ARG H H 73 7.840 7.972 -0.132 1
1 825 . 20 1 1 A 73 73 ARG HA H 73 3.760 4.167 -0.407 1
1 832 . 20 1 1 A 73 73 ARG CA C 73 59.700 59.729 -0.029 1
1 833 . 20 1 1 A 73 73 ARG CB C 73 29.800 30.083 -0.283 1
1 836 . 20 1 1 A 73 73 ARG N N 73 116.300 118.288 -1.988 1
1 837 . 20 1 1 A 74 74 GLN H H 74 7.690 8.237 -0.547 1
1 838 . 20 1 1 A 74 74 GLN HA H 74 3.970 4.089 -0.119 1
1 845 . 20 1 1 A 74 74 GLN CA C 74 58.800 58.785 0.015 1
1 846 . 20 1 1 A 74 74 GLN CB C 74 28.400 27.774 0.626 1
1 848 . 20 1 1 A 74 74 GLN N N 74 116.500 117.007 -0.507 1
1 850 . 20 1 1 A 75 75 ALA H H 75 8.160 7.935 0.225 1
1 851 . 20 1 1 A 75 75 ALA HA H 75 4.350 4.070 0.280 1
1 855 . 20 1 1 A 75 75 ALA CA C 75 54.400 54.988 -0.588 1
1 856 . 20 1 1 A 75 75 ALA CB C 75 17.600 18.177 -0.577 1
1 857 . 20 1 1 A 75 75 ALA N N 75 121.900 121.436 0.464 1
1 858 . 20 1 1 A 76 76 TRP H H 76 8.640 8.493 0.147 1
1 859 . 20 1 1 A 76 76 TRP HA H 76 4.640 4.523 0.117 1
1 868 . 20 1 1 A 76 76 TRP CA C 76 58.200 60.333 -2.133 1
1 869 . 20 1 1 A 76 76 TRP CB C 76 27.600 29.587 -1.987 1
1 875 . 20 1 1 A 76 76 TRP N N 76 118.400 119.544 -1.144 1
1 877 . 20 1 1 A 77 77 GLU H H 77 9.050 8.139 0.911 1
1 878 . 20 1 1 A 77 77 GLU HA H 77 4.010 3.934 0.076 1
1 883 . 20 1 1 A 77 77 GLU CA C 77 58.900 59.899 -0.999 1
1 884 . 20 1 1 A 77 77 GLU CB C 77 28.100 29.311 -1.211 1
1 886 . 20 1 1 A 77 77 GLU N N 77 121.000 119.972 1.028 1
1 887 . 20 1 1 A 78 78 SER H H 78 8.280 7.576 0.704 1
1 888 . 20 1 1 A 78 78 SER HA H 78 3.800 4.159 -0.359 1
1 891 . 20 1 1 A 78 78 SER CA C 78 62.400 60.956 1.444 1
1 892 . 20 1 1 A 78 78 SER CB C 78 68.000 62.712 5.288 1
1 893 . 20 1 1 A 78 78 SER N N 78 120.000 115.592 4.408 1
1 894 . 20 1 1 A 79 79 GLY H H 79 8.580 8.516 0.064 1
1 895 . 20 1 1 A 79 79 GLY HA2 H 79 3.470 3.731 -0.261 1
1 896 . 20 1 1 A 79 79 GLY HA3 H 79 3.580 3.950 -0.370 1
1 897 . 20 1 1 A 79 79 GLY CA C 79 47.000 47.655 -0.655 1
1 898 . 20 1 1 A 79 79 GLY N N 79 111.000 108.316 2.684 1
1 899 . 20 1 1 A 80 80 LEU H H 80 8.640 8.606 0.034 1
1 900 . 20 1 1 A 80 80 LEU HA H 80 3.830 4.103 -0.273 1
1 910 . 20 1 1 A 80 80 LEU CA C 80 58.200 57.394 0.806 1
1 911 . 20 1 1 A 80 80 LEU CB C 80 41.800 41.505 0.295 1
1 915 . 20 1 1 A 80 80 LEU N N 80 125.600 122.900 2.700 1
1 916 . 20 1 1 A 81 81 ALA H H 81 7.400 8.168 -0.768 1
1 917 . 20 1 1 A 81 81 ALA HA H 81 4.140 3.928 0.212 1
1 921 . 20 1 1 A 81 81 ALA CA C 81 54.600 55.124 -0.524 1
1 922 . 20 1 1 A 81 81 ALA CB C 81 17.500 18.186 -0.686 1
1 923 . 20 1 1 A 81 81 ALA N N 81 120.400 121.451 -1.051 1
1 924 . 20 1 1 A 82 82 ALA H H 82 7.640 7.938 -0.298 1
1 925 . 20 1 1 A 82 82 ALA HA H 82 4.160 3.811 0.349 1
1 929 . 20 1 1 A 82 82 ALA CA C 82 54.700 54.868 -0.168 1
1 930 . 20 1 1 A 82 82 ALA CB C 82 17.200 18.274 -1.074 1
1 931 . 20 1 1 A 82 82 ALA N N 82 120.900 120.237 0.663 1
1 932 . 20 1 1 A 83 83 ALA H H 83 8.910 8.242 0.668 1
1 933 . 20 1 1 A 83 83 ALA HA H 83 4.260 4.345 -0.085 1
1 937 . 20 1 1 A 83 83 ALA CA C 83 54.900 55.593 -0.693 1
1 938 . 20 1 1 A 83 83 ALA CB C 83 18.600 17.839 0.761 1
1 939 . 20 1 1 A 83 83 ALA N N 83 122.000 120.157 1.843 1
1 940 . 20 1 1 A 84 84 GLN H H 84 8.770 8.651 0.119 1
1 941 . 20 1 1 A 84 84 GLN HA H 84 3.940 4.081 -0.141 1
1 948 . 20 1 1 A 84 84 GLN CA C 84 58.800 59.061 -0.261 1
1 949 . 20 1 1 A 84 84 GLN CB C 84 28.200 28.372 -0.172 1
1 951 . 20 1 1 A 84 84 GLN N N 84 118.400 118.816 -0.416 1
1 953 . 20 1 1 A 85 85 SER H H 85 7.920 8.077 -0.157 1
1 954 . 20 1 1 A 85 85 SER HA H 85 4.250 4.178 0.072 1
1 957 . 20 1 1 A 85 85 SER CA C 85 61.200 61.238 -0.038 1
1 958 . 20 1 1 A 85 85 SER CB C 85 62.700 62.947 -0.247 1
1 959 . 20 1 1 A 85 85 SER N N 85 115.200 115.372 -0.172 1
1 960 . 20 1 1 A 86 86 ARG H H 86 7.590 7.818 -0.228 1
1 961 . 20 1 1 A 86 86 ARG HA H 86 4.380 4.425 -0.045 1
1 968 . 20 1 1 A 86 86 ARG CA C 86 55.800 56.045 -0.245 1
1 969 . 20 1 1 A 86 86 ARG CB C 86 31.200 30.787 0.413 1
1 972 . 20 1 1 A 86 86 ARG N N 86 117.800 117.289 0.511 1
1 973 . 20 1 1 A 87 87 GLY H H 87 7.790 7.870 -0.080 1
1 974 . 20 1 1 A 87 87 GLY HA2 H 87 3.870 3.924 -0.054 1
1 975 . 20 1 1 A 87 87 GLY HA3 H 87 4.080 3.924 0.156 1
1 976 . 20 1 1 A 87 87 GLY CA C 87 46.100 45.872 0.228 1
1 977 . 20 1 1 A 87 87 GLY N N 87 109.100 108.891 0.209 1
1 978 . 20 1 1 A 88 88 ASP H H 88 8.210 8.479 -0.269 1
1 979 . 20 1 1 A 88 88 ASP HA H 88 4.830 4.745 0.085 1
1 982 . 20 1 1 A 88 88 ASP CA C 88 52.100 52.815 -0.715 1
1 983 . 20 1 1 A 88 88 ASP CB C 88 39.000 39.630 -0.630 1
1 984 . 20 1 1 A 88 88 ASP N N 88 120.200 120.782 -0.582 1
1 985 . 20 1 1 A 89 89 GLN H H 89 8.110 8.159 -0.049 1
1 986 . 20 1 1 A 89 89 GLN HA H 89 3.840 4.032 -0.192 1
1 993 . 20 1 1 A 89 89 GLN CA C 89 58.500 59.116 -0.616 1
1 994 . 20 1 1 A 89 89 GLN CB C 89 28.000 28.521 -0.521 1
1 996 . 20 1 1 A 89 89 GLN N N 89 122.400 125.234 -2.834 1
1 998 . 20 1 1 A 90 90 GLN H H 90 8.720 7.827 0.893 1
1 999 . 20 1 1 A 90 90 GLN HA H 90 4.000 4.063 -0.063 1
1 1006 . 20 1 1 A 90 90 GLN CA C 90 58.800 58.639 0.161 1
1 1007 . 20 1 1 A 90 90 GLN CB C 90 27.800 28.449 -0.649 1
1 1009 . 20 1 1 A 90 90 GLN N N 90 119.100 120.107 -1.007 1
1 1011 . 20 1 1 A 91 91 VAL H H 91 7.170 8.051 -0.881 1
1 1012 . 20 1 1 A 91 91 VAL HA H 91 3.660 3.630 0.030 1
1 1020 . 20 1 1 A 91 91 VAL CA C 91 65.500 66.268 -0.768 1
1 1021 . 20 1 1 A 91 91 VAL CB C 91 31.300 31.509 -0.209 1
1 1024 . 20 1 1 A 91 91 VAL N N 91 119.900 119.517 0.383 1
1 1025 . 20 1 1 A 92 92 VAL H H 92 7.880 7.729 0.151 1
1 1026 . 20 1 1 A 92 92 VAL HA H 92 3.240 3.559 -0.319 1
1 1034 . 20 1 1 A 92 92 VAL CA C 92 67.300 66.843 0.457 1
1 1035 . 20 1 1 A 92 92 VAL CB C 92 31.500 31.313 0.187 1
1 1038 . 20 1 1 A 92 92 VAL N N 92 119.900 120.640 -0.740 1
1 1039 . 20 1 1 A 93 93 LYS H H 93 7.480 7.790 -0.310 1
1 1040 . 20 1 1 A 93 93 LYS HA H 93 3.920 3.855 0.065 1
1 1049 . 20 1 1 A 93 93 LYS CA C 93 59.300 60.100 -0.800 1
1 1050 . 20 1 1 A 93 93 LYS CB C 93 31.900 32.045 -0.145 1
1 1054 . 20 1 1 A 93 93 LYS N N 93 116.000 118.674 -2.674 1
1 1055 . 20 1 1 A 94 94 GLU H H 94 7.480 8.188 -0.708 1
1 1056 . 20 1 1 A 94 94 GLU HA H 94 3.580 3.907 -0.327 1
1 1061 . 20 1 1 A 94 94 GLU CA C 94 58.600 58.832 -0.232 1
1 1062 . 20 1 1 A 94 94 GLU CB C 94 29.500 29.354 0.146 1
1 1064 . 20 1 1 A 94 94 GLU N N 94 117.500 120.347 -2.847 1
1 1065 . 20 1 1 A 95 95 LEU H H 95 8.370 8.644 -0.274 1
1 1066 . 20 1 1 A 95 95 LEU HA H 95 3.530 4.119 -0.589 1
1 1076 . 20 1 1 A 95 95 LEU CA C 95 57.600 57.683 -0.083 1
1 1077 . 20 1 1 A 95 95 LEU CB C 95 40.900 41.038 -0.138 1
1 1081 . 20 1 1 A 95 95 LEU N N 95 117.500 119.954 -2.454 1
1 1082 . 20 1 1 A 96 96 GLN H H 96 8.330 7.996 0.334 1
1 1083 . 20 1 1 A 96 96 GLN HA H 96 3.980 3.887 0.093 1
1 1090 . 20 1 1 A 96 96 GLN CA C 96 58.900 58.759 0.141 1
1 1091 . 20 1 1 A 96 96 GLN CB C 96 28.100 28.295 -0.195 1
1 1093 . 20 1 1 A 96 96 GLN N N 96 117.600 119.173 -1.573 1
1 1095 . 20 1 1 A 97 97 VAL H H 97 7.450 7.253 0.197 1
1 1096 . 20 1 1 A 97 97 VAL HA H 97 3.450 3.409 0.041 1
1 1104 . 20 1 1 A 97 97 VAL CA C 97 66.700 66.103 0.597 1
1 1105 . 20 1 1 A 97 97 VAL CB C 97 31.000 31.097 -0.097 1
1 1108 . 20 1 1 A 97 97 VAL N N 97 120.300 118.562 1.738 1
1 1109 . 20 1 1 A 98 98 PHE H H 98 7.460 7.109 0.351 1
1 1110 . 20 1 1 A 98 98 PHE HA H 98 3.980 4.019 -0.039 1
1 1118 . 20 1 1 A 98 98 PHE CA C 98 58.700 60.942 -2.242 1
1 1119 . 20 1 1 A 98 98 PHE CB C 98 35.500 37.768 -2.268 1
1 1123 . 20 1 1 A 98 98 PHE N N 98 119.100 117.958 1.142 1
1 1124 . 20 1 1 A 99 99 LEU H H 99 8.330 7.780 0.550 1
1 1125 . 20 1 1 A 99 99 LEU HA H 99 4.090 3.795 0.295 1
1 1135 . 20 1 1 A 99 99 LEU CA C 99 57.800 57.615 0.185 1
1 1136 . 20 1 1 A 99 99 LEU CB C 99 41.800 41.265 0.535 1
1 1140 . 20 1 1 A 99 99 LEU N N 99 119.300 119.609 -0.309 1
1 1141 . 20 1 1 A 100 100 ARG H H 100 8.350 7.738 0.612 1
1 1142 . 20 1 1 A 100 100 ARG HA H 100 4.110 4.003 0.107 1
1 1149 . 20 1 1 A 100 100 ARG CA C 100 59.300 59.394 -0.094 1
1 1150 . 20 1 1 A 100 100 ARG CB C 100 29.900 29.834 0.066 1
1 1153 . 20 1 1 A 100 100 ARG N N 100 121.900 119.749 2.151 1
1 1154 . 20 1 1 A 101 101 ARG H H 101 8.110 7.366 0.744 1
1 1155 . 20 1 1 A 101 101 ARG HA H 101 4.020 4.130 -0.110 1
1 1162 . 20 1 1 A 101 101 ARG CA C 101 57.600 58.938 -1.338 1
1 1163 . 20 1 1 A 101 101 ARG CB C 101 30.200 30.129 0.071 1
1 1166 . 20 1 1 A 101 101 ARG N N 101 120.500 119.089 1.411 1
1 1167 . 20 1 1 A 102 102 LEU H H 102 7.890 8.270 -0.380 1
1 1168 . 20 1 1 A 102 102 LEU HA H 102 4.150 4.194 -0.044 1
1 1178 . 20 1 1 A 102 102 LEU CA C 102 57.600 57.822 -0.222 1
1 1179 . 20 1 1 A 102 102 LEU CB C 102 42.300 41.442 0.858 1
1 1183 . 20 1 1 A 102 102 LEU N N 102 119.900 121.326 -1.426 1
1 1184 . 20 1 1 A 103 103 ALA H H 103 7.880 8.636 -0.756 1
1 1185 . 20 1 1 A 103 103 ALA HA H 103 4.170 3.955 0.215 1
1 1189 . 20 1 1 A 103 103 ALA CA C 103 54.700 55.108 -0.408 1
1 1190 . 20 1 1 A 103 103 ALA CB C 103 17.800 18.267 -0.467 1
1 1191 . 20 1 1 A 103 103 ALA N N 103 120.000 120.728 -0.728 1
1 1192 . 20 1 1 A 104 104 ARG H H 104 8.060 7.743 0.317 1
1 1193 . 20 1 1 A 104 104 ARG HA H 104 4.130 4.133 -0.003 1
1 1200 . 20 1 1 A 104 104 ARG CA C 104 58.500 59.946 -1.446 1
1 1201 . 20 1 1 A 104 104 ARG CB C 104 29.800 29.914 -0.114 1
1 1204 . 20 1 1 A 104 104 ARG N N 104 119.800 117.652 2.148 1
1 1205 . 20 1 1 A 105 105 GLU H H 105 8.050 7.829 0.221 1
1 1206 . 20 1 1 A 105 105 GLU HA H 105 4.020 4.137 -0.117 1
1 1211 . 20 1 1 A 105 105 GLU CA C 105 58.500 59.153 -0.653 1
1 1212 . 20 1 1 A 105 105 GLU CB C 105 28.900 29.521 -0.621 1
1 1214 . 20 1 1 A 105 105 GLU N N 105 119.700 119.736 -0.036 1
1 1215 . 20 1 1 A 106 106 ASP H H 106 8.360 8.040 0.320 1
1 1216 . 20 1 1 A 106 106 ASP HA H 106 4.380 4.365 0.015 1
1 1219 . 20 1 1 A 106 106 ASP CA C 106 56.500 57.774 -1.274 1
1 1220 . 20 1 1 A 106 106 ASP CB C 106 40.500 41.405 -0.905 1
1 1221 . 20 1 1 A 106 106 ASP N N 106 119.800 120.161 -0.361 1
1 1222 . 20 1 1 A 107 107 ALA H H 107 7.910 8.475 -0.565 1
1 1223 . 20 1 1 A 107 107 ALA HA H 107 4.150 4.040 0.110 1
1 1227 . 20 1 1 A 107 107 ALA CA C 107 54.200 54.650 -0.450 1
1 1228 . 20 1 1 A 107 107 ALA CB C 107 18.100 18.370 -0.270 1
1 1229 . 20 1 1 A 107 107 ALA N N 107 121.900 121.610 0.290 1
1 1230 . 20 1 1 A 108 108 LEU H H 108 7.840 7.815 0.025 1
1 1231 . 20 1 1 A 108 108 LEU HA H 108 4.120 3.650 0.470 1
1 1241 . 20 1 1 A 108 108 LEU CA C 108 56.400 57.908 -1.508 1
1 1242 . 20 1 1 A 108 108 LEU CB C 108 42.000 41.367 0.633 1
1 1246 . 20 1 1 A 108 108 LEU N N 108 119.000 118.722 0.278 1
1 1247 . 20 1 1 A 109 109 GLU H H 109 7.860 7.994 -0.134 1
1 1248 . 20 1 1 A 109 109 GLU HA H 109 4.090 4.573 -0.483 1
1 1253 . 20 1 1 A 109 109 GLU CA C 109 57.000 56.435 0.565 1
1 1254 . 20 1 1 A 109 109 GLU CB C 109 29.100 30.480 -1.380 1
1 1256 . 20 1 1 A 109 109 GLU N N 109 118.600 114.974 3.626 1
1 1257 . 20 1 1 A 110 110 HIS H H 110 8.140 7.705 0.435 1
1 1258 . 20 1 1 A 110 110 HIS HA H 110 4.560 4.643 -0.083 1
1 1261 . 20 1 1 A 110 110 HIS CA C 110 55.600 56.816 -1.216 1
1 1262 . 20 1 1 A 110 110 HIS CB C 110 28.300 29.734 -1.434 1
1 1263 . 20 1 1 A 110 110 HIS N N 110 117.000 119.077 -2.077 1
1 1264 . 20 1 1 A 111 111 HIS H H 111 8.340 7.696 0.644 1
1 1265 . 20 1 1 A 111 111 HIS HA H 111 4.600 4.169 0.431 1
1 1268 . 20 1 1 A 111 111 HIS CA C 111 55.500 59.851 -4.351 1
1 1269 . 20 1 1 A 111 111 HIS CB C 111 28.500 29.589 -1.089 1
1 1270 . 20 1 1 A 111 111 HIS N N 111 117.800 118.462 -0.662 1
1 1271 . 20 1 1 A 112 112 HIS H H 112 8.530 7.778 0.752 1
1 1272 . 20 1 1 A 112 112 HIS HA H 112 4.620 4.364 0.256 1
1 1275 . 20 1 1 A 112 112 HIS CA C 112 55.300 59.634 -4.334 1
1 1276 . 20 1 1 A 112 112 HIS CB C 112 28.800 30.014 -1.214 1
1 1277 . 20 1 1 A 112 112 HIS N N 112 119.000 116.961 2.039 1
1 1278 . 20 1 1 A 113 113 HIS H H 113 8.660 8.352 0.308 1
1 1279 . 20 1 1 A 113 113 HIS HA H 113 4.640 4.379 0.261 1
1 1282 . 20 1 1 A 113 113 HIS CA C 113 55.200 56.875 -1.675 1
1 1283 . 20 1 1 A 113 113 HIS CB C 113 28.900 27.946 0.954 1
1 1284 . 20 1 1 A 113 113 HIS N N 113 120.000 117.624 2.376 1
1 1285 . 20 1 1 A 114 114 HIS H H 114 8.630 8.105 0.525 1
1 1286 . 20 1 1 A 114 114 HIS HA H 114 4.610 4.204 0.406 1
1 1289 . 20 1 1 A 114 114 HIS CA C 114 55.200 57.779 -2.579 1
1 1290 . 20 1 1 A 114 114 HIS CB C 114 28.900 31.052 -2.152 1
1 1291 . 20 1 1 A 114 114 HIS N N 114 120.800 120.006 0.794 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 113 1.010 1
3 1 1 1 "RMS(OBS, PRED)" CB 105 1.230 1
4 1 1 1 "RMS(OBS, PRED)" H 110 0.518 1
5 1 1 1 "RMS(OBS, PRED)" HA 121 0.390 1
6 1 1 1 "RMS(OBS, PRED)" N 110 2.315 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 113 0.938 1
9 1 2 1 "RMS(OBS, PRED)" CB 105 1.235 1
10 1 2 1 "RMS(OBS, PRED)" H 110 0.468 1
11 1 2 1 "RMS(OBS, PRED)" HA 121 0.395 1
12 1 2 1 "RMS(OBS, PRED)" N 110 2.332 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 113 1.110 1
15 1 3 1 "RMS(OBS, PRED)" CB 105 1.301 1
16 1 3 1 "RMS(OBS, PRED)" H 110 0.464 1
17 1 3 1 "RMS(OBS, PRED)" HA 121 0.377 1
18 1 3 1 "RMS(OBS, PRED)" N 110 2.382 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 113 1.163 1
21 1 4 1 "RMS(OBS, PRED)" CB 105 1.268 1
22 1 4 1 "RMS(OBS, PRED)" H 110 0.515 1
23 1 4 1 "RMS(OBS, PRED)" HA 121 0.400 1
24 1 4 1 "RMS(OBS, PRED)" N 110 2.448 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 113 0.999 1
27 1 5 1 "RMS(OBS, PRED)" CB 105 1.295 1
28 1 5 1 "RMS(OBS, PRED)" H 110 0.586 1
29 1 5 1 "RMS(OBS, PRED)" HA 121 0.304 1
30 1 5 1 "RMS(OBS, PRED)" N 110 2.453 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 113 1.073 1
33 1 6 1 "RMS(OBS, PRED)" CB 105 1.246 1
34 1 6 1 "RMS(OBS, PRED)" H 110 0.513 1
35 1 6 1 "RMS(OBS, PRED)" HA 121 0.368 1
36 1 6 1 "RMS(OBS, PRED)" N 110 2.254 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 113 0.960 1
39 1 7 1 "RMS(OBS, PRED)" CB 105 1.234 1
40 1 7 1 "RMS(OBS, PRED)" H 110 0.506 1
41 1 7 1 "RMS(OBS, PRED)" HA 121 0.383 1
42 1 7 1 "RMS(OBS, PRED)" N 110 2.353 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 113 1.086 1
45 1 8 1 "RMS(OBS, PRED)" CB 105 1.298 1
46 1 8 1 "RMS(OBS, PRED)" H 110 0.535 1
47 1 8 1 "RMS(OBS, PRED)" HA 121 0.371 1
48 1 8 1 "RMS(OBS, PRED)" N 110 2.330 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 113 0.953 1
51 1 9 1 "RMS(OBS, PRED)" CB 105 1.326 1
52 1 9 1 "RMS(OBS, PRED)" H 110 0.508 1
53 1 9 1 "RMS(OBS, PRED)" HA 121 0.379 1
54 1 9 1 "RMS(OBS, PRED)" N 110 2.465 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 113 1.035 1
57 1 10 1 "RMS(OBS, PRED)" CB 105 1.305 1
58 1 10 1 "RMS(OBS, PRED)" H 110 0.471 1
59 1 10 1 "RMS(OBS, PRED)" HA 121 0.374 1
60 1 10 1 "RMS(OBS, PRED)" N 110 2.248 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 113 1.072 1
63 1 11 1 "RMS(OBS, PRED)" CB 105 1.341 1
64 1 11 1 "RMS(OBS, PRED)" H 110 0.501 1
65 1 11 1 "RMS(OBS, PRED)" HA 121 0.383 1
66 1 11 1 "RMS(OBS, PRED)" N 110 2.262 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 113 1.098 1
69 1 12 1 "RMS(OBS, PRED)" CB 105 1.168 1
70 1 12 1 "RMS(OBS, PRED)" H 110 0.490 1
71 1 12 1 "RMS(OBS, PRED)" HA 121 0.406 1
72 1 12 1 "RMS(OBS, PRED)" N 110 2.202 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 113 0.937 1
75 1 13 1 "RMS(OBS, PRED)" CB 105 1.338 1
76 1 13 1 "RMS(OBS, PRED)" H 110 0.553 1
77 1 13 1 "RMS(OBS, PRED)" HA 121 0.385 1
78 1 13 1 "RMS(OBS, PRED)" N 110 2.446 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 113 1.068 1
81 1 14 1 "RMS(OBS, PRED)" CB 105 1.307 1
82 1 14 1 "RMS(OBS, PRED)" H 110 0.510 1
83 1 14 1 "RMS(OBS, PRED)" HA 121 0.396 1
84 1 14 1 "RMS(OBS, PRED)" N 110 2.511 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 113 1.235 1
87 1 15 1 "RMS(OBS, PRED)" CB 105 1.303 1
88 1 15 1 "RMS(OBS, PRED)" H 110 0.546 1
89 1 15 1 "RMS(OBS, PRED)" HA 121 0.436 1
90 1 15 1 "RMS(OBS, PRED)" N 110 2.367 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 113 1.066 1
93 1 16 1 "RMS(OBS, PRED)" CB 105 1.363 1
94 1 16 1 "RMS(OBS, PRED)" H 110 0.501 1
95 1 16 1 "RMS(OBS, PRED)" HA 121 0.390 1
96 1 16 1 "RMS(OBS, PRED)" N 110 2.427 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 113 1.168 1
99 1 17 1 "RMS(OBS, PRED)" CB 105 1.301 1
100 1 17 1 "RMS(OBS, PRED)" H 110 0.517 1
101 1 17 1 "RMS(OBS, PRED)" HA 121 0.398 1
102 1 17 1 "RMS(OBS, PRED)" N 110 2.438 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 113 1.042 1
105 1 18 1 "RMS(OBS, PRED)" CB 105 1.375 1
106 1 18 1 "RMS(OBS, PRED)" H 110 0.530 1
107 1 18 1 "RMS(OBS, PRED)" HA 121 0.382 1
108 1 18 1 "RMS(OBS, PRED)" N 110 2.179 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 113 1.099 1
111 1 19 1 "RMS(OBS, PRED)" CB 105 1.297 1
112 1 19 1 "RMS(OBS, PRED)" H 110 0.512 1
113 1 19 1 "RMS(OBS, PRED)" HA 121 0.399 1
114 1 19 1 "RMS(OBS, PRED)" N 110 2.580 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 113 1.162 1
117 1 20 1 "RMS(OBS, PRED)" CB 105 1.225 1
118 1 20 1 "RMS(OBS, PRED)" H 110 0.522 1
119 1 20 1 "RMS(OBS, PRED)" HA 121 0.411 1
120 1 20 1 "RMS(OBS, PRED)" N 110 2.410 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 9 . 1 1 A 2 2 GLN H H 2 8.840 8.674 0.166 2
1 10 . 1 1 A 2 2 GLN HA H 2 4.310 4.569 -0.259 2
1 17 . 1 1 A 2 2 GLN CA C 2 55.600 55.207 0.393 2
1 18 . 1 1 A 2 2 GLN CB C 2 29.900 30.711 -0.811 2
1 20 . 1 1 A 2 2 GLN N N 2 124.000 122.896 1.104 2
1 22 . 1 1 A 3 3 ALA H H 3 8.780 8.588 0.192 2
1 23 . 1 1 A 3 3 ALA HA H 3 4.240 4.254 -0.014 2
1 27 . 1 1 A 3 3 ALA CA C 3 52.600 52.312 0.288 2
1 28 . 1 1 A 3 3 ALA CB C 3 18.800 18.618 0.182 2
1 29 . 1 1 A 3 3 ALA N N 3 127.500 124.749 2.751 2
1 30 . 1 1 A 4 4 ILE H H 4 8.490 8.379 0.111 2
1 31 . 1 1 A 4 4 ILE HA H 4 3.820 3.763 0.057 2
1 41 . 1 1 A 4 4 ILE CA C 4 63.700 64.410 -0.710 2
1 42 . 1 1 A 4 4 ILE CB C 4 37.800 37.357 0.443 2
1 46 . 1 1 A 4 4 ILE N N 4 120.900 122.751 -1.851 2
1 47 . 1 1 A 5 5 THR H H 5 7.730 8.019 -0.289 2
1 48 . 1 1 A 5 5 THR HA H 5 3.540 3.743 -0.203 2
1 53 . 1 1 A 5 5 THR CA C 5 64.700 65.922 -1.222 2
1 54 . 1 1 A 5 5 THR CB C 5 66.700 68.213 -1.513 2
1 56 . 1 1 A 5 5 THR N N 5 110.700 114.747 -4.047 2
1 57 . 1 1 A 6 6 GLU H H 6 7.220 8.099 -0.879 2
1 58 . 1 1 A 6 6 GLU HA H 6 3.940 3.955 -0.015 2
1 63 . 1 1 A 6 6 GLU CA C 6 59.200 59.487 -0.287 2
1 64 . 1 1 A 6 6 GLU CB C 6 28.900 29.334 -0.434 2
1 66 . 1 1 A 6 6 GLU N N 6 120.400 121.033 -0.633 2
1 67 . 1 1 A 7 7 ARG H H 7 7.930 7.895 0.035 2
1 68 . 1 1 A 7 7 ARG HA H 7 3.950 4.075 -0.125 2
1 75 . 1 1 A 7 7 ARG CA C 7 59.100 58.832 0.268 2
1 76 . 1 1 A 7 7 ARG CB C 7 30.100 29.691 0.409 2
1 79 . 1 1 A 7 7 ARG N N 7 119.900 118.950 0.950 2
1 80 . 1 1 A 8 8 LEU H H 8 8.130 8.070 0.060 2
1 81 . 1 1 A 8 8 LEU HA H 8 4.150 3.933 0.217 2
1 91 . 1 1 A 8 8 LEU CA C 8 57.800 57.950 -0.150 2
1 92 . 1 1 A 8 8 LEU CB C 8 41.000 41.156 -0.156 2
1 96 . 1 1 A 8 8 LEU N N 8 119.600 121.124 -1.524 2
1 97 . 1 1 A 9 9 GLU H H 9 8.530 8.571 -0.041 2
1 98 . 1 1 A 9 9 GLU HA H 9 4.150 4.009 0.141 2
1 103 . 1 1 A 9 9 GLU CA C 9 59.100 59.532 -0.432 2
1 104 . 1 1 A 9 9 GLU CB C 9 28.300 29.245 -0.945 2
1 106 . 1 1 A 9 9 GLU N N 9 118.200 118.991 -0.791 2
1 107 . 1 1 A 10 10 ALA H H 10 7.800 8.075 -0.275 2
1 108 . 1 1 A 10 10 ALA HA H 10 4.230 4.086 0.144 2
1 112 . 1 1 A 10 10 ALA CA C 10 55.000 55.155 -0.155 2
1 113 . 1 1 A 10 10 ALA CB C 10 17.200 18.169 -0.969 2
1 114 . 1 1 A 10 10 ALA N N 10 122.900 122.331 0.569 2
1 115 . 1 1 A 11 11 MET H H 11 7.700 8.041 -0.341 2
1 116 . 1 1 A 11 11 MET HA H 11 4.040 4.249 -0.209 2
1 124 . 1 1 A 11 11 MET CA C 11 58.900 58.141 0.759 2
1 125 . 1 1 A 11 11 MET CB C 11 31.800 32.338 -0.538 2
1 128 . 1 1 A 11 11 MET N N 11 118.800 116.888 1.912 2
1 129 . 1 1 A 12 12 LEU H H 12 8.070 8.077 -0.007 2
1 130 . 1 1 A 12 12 LEU HA H 12 4.870 4.075 0.795 2
1 140 . 1 1 A 12 12 LEU CA C 12 56.900 57.767 -0.867 2
1 141 . 1 1 A 12 12 LEU CB C 12 41.900 41.277 0.623 2
1 145 . 1 1 A 12 12 LEU N N 12 122.500 121.598 0.902 2
1 146 . 1 1 A 13 13 ALA H H 13 8.150 7.756 0.394 2
1 147 . 1 1 A 13 13 ALA HA H 13 4.130 4.145 -0.015 2
1 151 . 1 1 A 13 13 ALA CA C 13 54.100 54.143 -0.043 2
1 152 . 1 1 A 13 13 ALA CB C 13 17.700 18.277 -0.577 2
1 153 . 1 1 A 13 13 ALA N N 13 122.300 121.132 1.168 2
1 154 . 1 1 A 14 14 GLN H H 14 7.560 7.564 -0.004 2
1 155 . 1 1 A 14 14 GLN HA H 14 4.340 4.375 -0.035 2
1 162 . 1 1 A 14 14 GLN CA C 14 55.500 55.805 -0.305 2
1 163 . 1 1 A 14 14 GLN CB C 14 28.700 29.162 -0.462 2
1 165 . 1 1 A 14 14 GLN N N 14 115.100 115.856 -0.756 2
1 167 . 1 1 A 15 15 GLY H H 15 7.870 8.023 -0.153 2
1 168 . 1 1 A 15 15 GLY HA2 H 15 3.720 3.972 -0.252 2
1 169 . 1 1 A 15 15 GLY HA3 H 15 4.430 3.974 0.456 2
1 170 . 1 1 A 15 15 GLY CA C 15 45.100 45.825 -0.725 2
1 171 . 1 1 A 15 15 GLY N N 15 106.800 107.583 -0.783 2
1 172 . 1 1 A 16 16 THR H H 16 7.980 7.685 0.295 2
1 173 . 1 1 A 16 16 THR HA H 16 4.190 4.503 -0.313 2
1 178 . 1 1 A 16 16 THR CA C 16 62.600 61.294 1.306 2
1 179 . 1 1 A 16 16 THR CB C 16 68.800 68.667 0.133 2
1 181 . 1 1 A 16 16 THR N N 16 120.800 115.324 5.476 2
1 182 . 1 1 A 17 17 ASP H H 17 8.110 8.610 -0.500 2
1 183 . 1 1 A 17 17 ASP HA H 17 4.830 4.925 -0.095 2
1 186 . 1 1 A 17 17 ASP CA C 17 53.300 53.657 -0.357 2
1 187 . 1 1 A 17 17 ASP CB C 17 42.700 41.757 0.943 2
1 188 . 1 1 A 17 17 ASP N N 17 122.800 126.681 -3.881 2
1 189 . 1 1 A 18 18 ASN HA H 18 3.460 4.892 -1.432 2
1 194 . 1 1 A 18 18 ASN CA C 18 52.200 52.629 -0.429 2
1 195 . 1 1 A 18 18 ASN CB C 18 39.600 40.508 -0.908 2
1 197 . 1 1 A 19 19 MET H H 19 8.260 8.534 -0.274 2
1 198 . 1 1 A 19 19 MET HA H 19 3.650 4.275 -0.625 2
1 206 . 1 1 A 19 19 MET CA C 19 61.100 57.626 3.474 2
1 207 . 1 1 A 19 19 MET CB C 19 32.900 33.005 -0.105 2
1 210 . 1 1 A 19 19 MET N N 19 119.100 120.726 -1.626 2
1 211 . 1 1 A 20 20 LEU H H 20 8.350 7.998 0.352 2
1 212 . 1 1 A 20 20 LEU HA H 20 4.220 4.141 0.078 2
1 222 . 1 1 A 20 20 LEU CA C 20 57.500 56.830 0.670 2
1 223 . 1 1 A 20 20 LEU CB C 20 41.200 41.398 -0.198 2
1 227 . 1 1 A 20 20 LEU N N 20 120.400 120.420 -0.020 2
1 228 . 1 1 A 21 21 LEU H H 21 8.520 8.048 0.472 2
1 229 . 1 1 A 21 21 LEU HA H 21 3.910 4.116 -0.206 2
1 239 . 1 1 A 21 21 LEU CA C 21 59.200 57.344 1.856 2
1 240 . 1 1 A 21 21 LEU CB C 21 42.400 42.214 0.186 2
1 244 . 1 1 A 21 21 LEU N N 21 125.500 119.978 5.522 2
1 245 . 1 1 A 22 22 ARG H H 22 7.830 8.040 -0.210 2
1 246 . 1 1 A 22 22 ARG HA H 22 4.230 4.052 0.178 2
1 253 . 1 1 A 22 22 ARG CA C 22 57.300 58.915 -1.615 2
1 254 . 1 1 A 22 22 ARG CB C 22 28.800 29.781 -0.981 2
1 257 . 1 1 A 22 22 ARG N N 22 117.200 119.146 -1.946 2
1 258 . 1 1 A 23 23 PHE H H 23 9.380 8.028 1.351 2
1 259 . 1 1 A 23 23 PHE HA H 23 3.950 4.170 -0.220 2
1 267 . 1 1 A 23 23 PHE CA C 23 61.500 60.616 0.884 2
1 268 . 1 1 A 23 23 PHE CB C 23 40.200 38.507 1.693 2
1 272 . 1 1 A 23 23 PHE N N 23 118.500 119.966 -1.466 2
1 273 . 1 1 A 24 24 THR H H 24 8.600 7.894 0.706 2
1 274 . 1 1 A 24 24 THR HA H 24 4.030 3.763 0.267 2
1 279 . 1 1 A 24 24 THR CA C 24 68.000 66.606 1.394 2
1 280 . 1 1 A 24 24 THR CB C 24 67.400 67.956 -0.556 2
1 282 . 1 1 A 24 24 THR N N 24 115.400 115.083 0.317 2
1 283 . 1 1 A 25 25 LEU H H 25 8.200 7.817 0.383 2
1 284 . 1 1 A 25 25 LEU HA H 25 3.390 3.689 -0.299 2
1 294 . 1 1 A 25 25 LEU CA C 25 58.200 57.901 0.299 2
1 295 . 1 1 A 25 25 LEU CB C 25 42.200 41.569 0.631 2
1 299 . 1 1 A 25 25 LEU N N 25 124.500 120.893 3.607 2
1 300 . 1 1 A 26 26 GLY H H 26 8.520 7.933 0.587 2
1 301 . 1 1 A 26 26 GLY HA2 H 26 3.910 3.683 0.227 2
1 302 . 1 1 A 26 26 GLY HA3 H 26 3.570 3.812 -0.242 2
1 303 . 1 1 A 26 26 GLY CA C 26 48.400 47.057 1.343 2
1 304 . 1 1 A 26 26 GLY N N 26 104.600 105.659 -1.059 2
1 305 . 1 1 A 27 27 LYS H H 27 8.730 7.753 0.977 2
1 306 . 1 1 A 27 27 LYS HA H 27 2.970 3.382 -0.412 2
1 315 . 1 1 A 27 27 LYS CA C 27 59.100 58.588 0.512 2
1 316 . 1 1 A 27 27 LYS CB C 27 31.400 31.718 -0.318 2
1 320 . 1 1 A 27 27 LYS N N 27 121.200 121.544 -0.344 2
1 321 . 1 1 A 28 28 THR H H 28 7.420 7.541 -0.121 2
1 322 . 1 1 A 28 28 THR HA H 28 3.680 3.790 -0.110 2
1 327 . 1 1 A 28 28 THR CA C 28 67.100 66.418 0.682 2
1 328 . 1 1 A 28 28 THR CB C 28 67.700 68.228 -0.528 2
1 330 . 1 1 A 28 28 THR N N 28 114.500 117.046 -2.545 2
1 331 . 1 1 A 29 29 TYR H H 29 8.220 7.707 0.512 2
1 332 . 1 1 A 29 29 TYR HA H 29 4.380 4.298 0.082 2
1 339 . 1 1 A 29 29 TYR CA C 29 61.400 60.299 1.101 2
1 340 . 1 1 A 29 29 TYR CB C 29 37.100 37.248 -0.148 2
1 343 . 1 1 A 29 29 TYR N N 29 120.400 120.683 -0.283 2
1 344 . 1 1 A 30 30 ALA H H 30 8.500 8.183 0.317 2
1 345 . 1 1 A 30 30 ALA HA H 30 3.770 3.671 0.099 2
1 349 . 1 1 A 30 30 ALA CA C 30 56.000 54.996 1.004 2
1 350 . 1 1 A 30 30 ALA CB C 30 18.200 18.309 -0.109 2
1 351 . 1 1 A 30 30 ALA N N 30 123.300 123.023 0.277 2
1 352 . 1 1 A 31 31 GLU H H 31 8.940 8.090 0.850 2
1 353 . 1 1 A 31 31 GLU HA H 31 4.180 4.204 -0.024 2
1 358 . 1 1 A 31 31 GLU CA C 31 58.600 58.586 0.014 2
1 359 . 1 1 A 31 31 GLU CB C 31 28.700 29.394 -0.694 2
1 361 . 1 1 A 31 31 GLU N N 31 120.700 119.288 1.412 2
1 362 . 1 1 A 32 32 HIS H H 32 7.340 7.367 -0.027 2
1 363 . 1 1 A 32 32 HIS HA H 32 4.740 4.566 0.174 2
1 368 . 1 1 A 32 32 HIS CA C 32 54.800 55.808 -1.008 2
1 369 . 1 1 A 32 32 HIS CB C 32 28.200 29.889 -1.689 2
1 372 . 1 1 A 32 32 HIS N N 32 115.300 116.154 -0.854 2
1 373 . 1 1 A 33 33 GLU H H 33 7.830 7.793 0.037 2
1 374 . 1 1 A 33 33 GLU HA H 33 2.500 3.326 -0.826 2
1 379 . 1 1 A 33 33 GLU CA C 33 56.800 57.490 -0.690 2
1 380 . 1 1 A 33 33 GLU CB C 33 25.000 28.802 -3.802 2
1 382 . 1 1 A 33 33 GLU N N 33 112.200 117.516 -5.316 2
1 383 . 1 1 A 34 34 GLN H H 34 8.030 8.250 -0.220 2
1 384 . 1 1 A 34 34 GLN HA H 34 4.460 4.523 -0.063 2
1 391 . 1 1 A 34 34 GLN CA C 34 53.200 54.397 -1.197 2
1 392 . 1 1 A 34 34 GLN CB C 34 26.500 28.106 -1.606 2
1 394 . 1 1 A 34 34 GLN N N 34 121.000 118.615 2.385 2
1 396 . 1 1 A 35 35 PHE H H 35 7.050 7.750 -0.700 2
1 397 . 1 1 A 35 35 PHE HA H 35 4.180 4.235 -0.055 2
1 405 . 1 1 A 35 35 PHE CA C 35 60.700 60.879 -0.179 2
1 406 . 1 1 A 35 35 PHE CB C 35 38.200 38.595 -0.395 2
1 410 . 1 1 A 35 35 PHE N N 35 118.600 121.455 -2.855 2
1 411 . 1 1 A 36 36 ASP H H 36 8.410 8.377 0.033 2
1 412 . 1 1 A 36 36 ASP HA H 36 4.200 4.371 -0.171 2
1 415 . 1 1 A 36 36 ASP CA C 36 56.700 57.750 -1.050 2
1 416 . 1 1 A 36 36 ASP CB C 36 38.800 41.793 -2.993 2
1 417 . 1 1 A 36 36 ASP N N 36 117.000 120.029 -3.029 2
1 418 . 1 1 A 37 37 ALA H H 37 7.540 7.781 -0.241 2
1 419 . 1 1 A 37 37 ALA HA H 37 3.860 4.038 -0.178 2
1 423 . 1 1 A 37 37 ALA CA C 37 52.900 54.623 -1.723 2
1 424 . 1 1 A 37 37 ALA CB C 37 16.300 17.929 -1.629 2
1 425 . 1 1 A 37 37 ALA N N 37 120.900 121.024 -0.124 2
1 426 . 1 1 A 38 38 ALA H H 38 7.700 7.743 -0.043 2
1 427 . 1 1 A 38 38 ALA HA H 38 4.210 4.096 0.114 2
1 431 . 1 1 A 38 38 ALA CA C 38 55.100 55.103 -0.003 2
1 432 . 1 1 A 38 38 ALA CB C 38 20.500 18.268 2.232 2
1 433 . 1 1 A 38 38 ALA N N 38 117.600 120.302 -2.702 2
1 434 . 1 1 A 39 39 LEU H H 39 7.430 8.036 -0.606 2
1 435 . 1 1 A 39 39 LEU HA H 39 4.050 4.002 0.048 2
1 445 . 1 1 A 39 39 LEU CA C 39 60.500 60.020 0.480 2
1 446 . 1 1 A 39 39 LEU CB C 39 39.200 40.120 -0.920 2
1 450 . 1 1 A 39 39 LEU N N 39 114.900 118.652 -3.752 2
1 451 . 1 1 A 40 40 PRO HA H 40 4.180 4.330 -0.149 2
1 458 . 1 1 A 40 40 PRO CA C 40 65.100 65.718 -0.618 2
1 459 . 1 1 A 40 40 PRO CB C 40 30.600 30.810 -0.210 2
1 462 . 1 1 A 41 41 HIS H H 41 6.570 7.475 -0.905 2
1 463 . 1 1 A 41 41 HIS HA H 41 4.740 4.207 0.532 2
1 468 . 1 1 A 41 41 HIS CA C 41 58.800 59.509 -0.709 2
1 469 . 1 1 A 41 41 HIS CB C 41 30.800 30.009 0.791 2
1 472 . 1 1 A 41 41 HIS N N 41 116.500 116.791 -0.291 2
1 473 . 1 1 A 42 42 LEU H H 42 8.140 8.671 -0.531 2
1 474 . 1 1 A 42 42 LEU HA H 42 4.120 3.948 0.172 2
1 484 . 1 1 A 42 42 LEU CA C 42 57.800 58.028 -0.228 2
1 485 . 1 1 A 42 42 LEU CB C 42 42.100 41.418 0.682 2
1 489 . 1 1 A 42 42 LEU N N 42 119.900 119.784 0.116 2
1 490 . 1 1 A 43 43 ARG H H 43 8.300 8.287 0.013 2
1 491 . 1 1 A 43 43 ARG HA H 43 3.740 4.055 -0.315 2
1 498 . 1 1 A 43 43 ARG CA C 43 59.700 59.432 0.268 2
1 499 . 1 1 A 43 43 ARG CB C 43 28.300 29.971 -1.671 2
1 502 . 1 1 A 43 43 ARG N N 43 116.400 119.993 -3.593 2
1 503 . 1 1 A 44 44 ALA H H 44 7.850 7.924 -0.074 2
1 504 . 1 1 A 44 44 ALA HA H 44 4.060 4.098 -0.038 2
1 508 . 1 1 A 44 44 ALA CA C 44 54.600 54.965 -0.365 2
1 509 . 1 1 A 44 44 ALA CB C 44 17.000 18.129 -1.129 2
1 510 . 1 1 A 44 44 ALA N N 44 121.000 120.982 0.018 2
1 511 . 1 1 A 45 45 ALA H H 45 8.440 7.671 0.769 2
1 512 . 1 1 A 45 45 ALA HA H 45 4.270 4.238 0.032 2
1 516 . 1 1 A 45 45 ALA CA C 45 56.200 55.090 1.111 2
1 517 . 1 1 A 45 45 ALA CB C 45 17.000 18.261 -1.260 2
1 518 . 1 1 A 45 45 ALA N N 45 121.200 120.820 0.380 2
1 519 . 1 1 A 46 46 LEU H H 46 7.310 8.224 -0.914 2
1 520 . 1 1 A 46 46 LEU HA H 46 4.010 4.136 -0.125 2
1 530 . 1 1 A 46 46 LEU CA C 46 55.900 57.878 -1.978 2
1 531 . 1 1 A 46 46 LEU CB C 46 42.200 41.318 0.882 2
1 535 . 1 1 A 46 46 LEU N N 46 116.800 119.065 -2.265 2
1 536 . 1 1 A 47 47 ASP H H 47 7.590 8.214 -0.624 2
1 537 . 1 1 A 47 47 ASP HA H 47 4.440 4.294 0.146 2
1 540 . 1 1 A 47 47 ASP CA C 47 55.500 57.149 -1.649 2
1 541 . 1 1 A 47 47 ASP CB C 47 39.200 40.878 -1.678 2
1 542 . 1 1 A 47 47 ASP N N 47 118.900 119.789 -0.889 2
1 543 . 1 1 A 48 48 PHE H H 48 7.490 7.671 -0.181 2
1 544 . 1 1 A 48 48 PHE HA H 48 4.450 4.331 0.119 2
1 552 . 1 1 A 48 48 PHE CA C 48 61.200 59.918 1.282 2
1 553 . 1 1 A 48 48 PHE CB C 48 39.600 39.944 -0.344 2
1 557 . 1 1 A 48 48 PHE N N 48 117.200 116.721 0.479 2
1 558 . 1 1 A 49 49 ASP H H 49 7.790 8.132 -0.342 2
1 559 . 1 1 A 49 49 ASP HA H 49 4.980 5.062 -0.082 2
1 562 . 1 1 A 49 49 ASP CA C 49 51.000 51.484 -0.484 2
1 563 . 1 1 A 49 49 ASP CB C 49 41.800 41.593 0.207 2
1 564 . 1 1 A 49 49 ASP N N 49 113.500 117.534 -4.035 2
1 565 . 1 1 A 50 50 PRO HA H 50 4.780 4.676 0.104 2
1 572 . 1 1 A 50 50 PRO CA C 50 64.000 64.192 -0.192 2
1 573 . 1 1 A 50 50 PRO CB C 50 32.000 31.981 0.019 2
1 576 . 1 1 A 51 51 THR H H 51 8.640 7.841 0.799 2
1 577 . 1 1 A 51 51 THR HA H 51 4.620 4.782 -0.162 2
1 582 . 1 1 A 51 51 THR CA C 51 60.900 62.524 -1.624 2
1 583 . 1 1 A 51 51 THR CB C 51 68.600 68.958 -0.358 2
1 585 . 1 1 A 51 51 THR N N 51 111.900 110.418 1.482 2
1 586 . 1 1 A 52 52 TYR H H 52 7.350 7.759 -0.409 2
1 587 . 1 1 A 52 52 TYR HA H 52 4.820 4.556 0.264 2
1 594 . 1 1 A 52 52 TYR CA C 52 56.100 56.035 0.065 2
1 595 . 1 1 A 52 52 TYR CB C 52 35.900 37.829 -1.929 2
1 598 . 1 1 A 52 52 TYR N N 52 122.600 124.564 -1.964 2
1 599 . 1 1 A 53 53 SER H H 53 8.480 7.794 0.686 2
1 600 . 1 1 A 53 53 SER HA H 53 4.170 1.689 2.481 2
1 603 . 1 1 A 53 53 SER CA C 53 62.900 61.062 1.838 2
1 604 . 1 1 A 53 53 SER CB C 53 62.900 62.198 0.702 2
1 605 . 1 1 A 53 53 SER N N 53 127.100 122.206 4.894 2
1 606 . 1 1 A 54 54 VAL H H 54 7.860 7.440 0.420 2
1 607 . 1 1 A 54 54 VAL HA H 54 3.850 3.594 0.256 2
1 615 . 1 1 A 54 54 VAL CA C 54 65.500 66.409 -0.909 2
1 616 . 1 1 A 54 54 VAL CB C 54 31.200 31.386 -0.186 2
1 619 . 1 1 A 54 54 VAL N N 54 116.800 121.623 -4.822 2
1 620 . 1 1 A 55 55 ALA H H 55 7.120 7.981 -0.861 2
1 621 . 1 1 A 55 55 ALA HA H 55 4.490 4.505 -0.015 2
1 625 . 1 1 A 55 55 ALA CA C 55 55.700 55.238 0.462 2
1 626 . 1 1 A 55 55 ALA CB C 55 16.700 18.510 -1.810 2
1 627 . 1 1 A 55 55 ALA N N 55 123.000 121.352 1.648 2
1 628 . 1 1 A 56 56 TRP H H 56 7.340 7.641 -0.301 2
1 629 . 1 1 A 56 56 TRP HA H 56 4.160 4.569 -0.409 2
1 638 . 1 1 A 56 56 TRP CA C 56 60.700 60.031 0.670 2
1 639 . 1 1 A 56 56 TRP CB C 56 30.100 29.066 1.034 2
1 645 . 1 1 A 56 56 TRP N N 56 119.300 118.445 0.855 2
1 647 . 1 1 A 57 57 LYS H H 57 8.330 7.985 0.345 2
1 648 . 1 1 A 57 57 LYS HA H 57 3.970 4.229 -0.259 2
1 657 . 1 1 A 57 57 LYS CA C 57 59.300 59.312 -0.012 2
1 658 . 1 1 A 57 57 LYS CB C 57 34.400 32.012 2.388 2
1 662 . 1 1 A 57 57 LYS N N 57 117.700 120.369 -2.669 2
1 663 . 1 1 A 58 58 TRP H H 58 8.170 8.010 0.160 2
1 664 . 1 1 A 58 58 TRP HA H 58 4.230 4.604 -0.374 2
1 673 . 1 1 A 58 58 TRP CA C 58 61.600 60.065 1.535 2
1 674 . 1 1 A 58 58 TRP CB C 58 29.000 29.723 -0.723 2
1 680 . 1 1 A 58 58 TRP N N 58 119.100 120.572 -1.472 2
1 682 . 1 1 A 59 59 LEU H H 59 9.500 8.716 0.784 2
1 683 . 1 1 A 59 59 LEU HA H 59 4.090 4.076 0.014 2
1 693 . 1 1 A 59 59 LEU CA C 59 58.500 58.262 0.238 2
1 694 . 1 1 A 59 59 LEU CB C 59 41.300 42.052 -0.752 2
1 698 . 1 1 A 59 59 LEU N N 59 127.300 121.195 6.106 2
1 699 . 1 1 A 60 60 GLY H H 60 8.480 7.923 0.557 2
1 700 . 1 1 A 60 60 GLY HA2 H 60 3.050 2.969 0.081 2
1 701 . 1 1 A 60 60 GLY HA3 H 60 2.250 3.316 -1.066 2
1 702 . 1 1 A 60 60 GLY CA C 60 47.500 46.749 0.751 2
1 703 . 1 1 A 60 60 GLY N N 60 105.100 105.753 -0.653 2
1 704 . 1 1 A 61 61 LYS H H 61 7.680 7.762 -0.082 2
1 705 . 1 1 A 61 61 LYS HA H 61 3.890 4.048 -0.158 2
1 714 . 1 1 A 61 61 LYS CA C 61 59.300 59.233 0.067 2
1 715 . 1 1 A 61 61 LYS CB C 61 32.000 32.096 -0.096 2
1 719 . 1 1 A 61 61 LYS N N 61 118.600 122.133 -3.533 2
1 720 . 1 1 A 62 62 THR H H 62 8.030 8.143 -0.113 2
1 721 . 1 1 A 62 62 THR HA H 62 3.780 4.175 -0.395 2
1 726 . 1 1 A 62 62 THR CA C 62 67.400 66.989 0.411 2
1 727 . 1 1 A 62 62 THR CB C 62 66.300 68.230 -1.930 2
1 729 . 1 1 A 62 62 THR N N 62 120.100 117.646 2.454 2
1 730 . 1 1 A 63 63 LEU H H 63 8.090 8.099 -0.009 2
1 731 . 1 1 A 63 63 LEU HA H 63 4.080 3.848 0.232 2
1 741 . 1 1 A 63 63 LEU CA C 63 57.800 57.724 0.075 2
1 742 . 1 1 A 63 63 LEU CB C 63 40.800 40.898 -0.098 2
1 746 . 1 1 A 63 63 LEU N N 63 121.400 121.312 0.088 2
1 747 . 1 1 A 64 64 GLN H H 64 8.300 7.952 0.348 2
1 748 . 1 1 A 64 64 GLN HA H 64 3.400 3.875 -0.475 2
1 755 . 1 1 A 64 64 GLN CA C 64 59.300 59.218 0.082 2
1 756 . 1 1 A 64 64 GLN CB C 64 28.100 27.969 0.131 2
1 758 . 1 1 A 64 64 GLN N N 64 119.500 118.342 1.158 2
1 760 . 1 1 A 65 65 GLY H H 65 7.720 7.756 -0.036 2
1 761 . 1 1 A 65 65 GLY HA2 H 65 2.300 2.621 -0.321 2
1 762 . 1 1 A 65 65 GLY HA3 H 65 3.430 3.486 -0.056 2
1 763 . 1 1 A 65 65 GLY CA C 65 46.000 46.276 -0.276 2
1 764 . 1 1 A 65 65 GLY N N 65 110.300 107.143 3.157 2
1 765 . 1 1 A 66 66 GLN H H 66 7.250 7.362 -0.112 2
1 766 . 1 1 A 66 66 GLN HA H 66 4.270 4.265 0.005 2
1 773 . 1 1 A 66 66 GLN CA C 66 55.900 56.828 -0.928 2
1 774 . 1 1 A 66 66 GLN CB C 66 30.000 29.264 0.736 2
1 776 . 1 1 A 66 66 GLN N N 66 117.500 119.590 -2.090 2
1 778 . 1 1 A 67 67 GLY H H 67 7.800 7.806 -0.006 2
1 779 . 1 1 A 67 67 GLY HA2 H 67 4.230 3.984 0.246 2
1 780 . 1 1 A 67 67 GLY HA3 H 67 3.660 3.997 -0.337 2
1 781 . 1 1 A 67 67 GLY CA C 67 44.800 45.222 -0.422 2
1 782 . 1 1 A 67 67 GLY N N 67 107.400 107.448 -0.048 2
1 783 . 1 1 A 68 68 ASP H H 68 8.100 7.884 0.216 2
1 784 . 1 1 A 68 68 ASP HA H 68 4.780 4.744 0.036 2
1 787 . 1 1 A 68 68 ASP CA C 68 51.100 52.679 -1.579 2
1 788 . 1 1 A 68 68 ASP CB C 68 38.800 40.295 -1.495 2
1 789 . 1 1 A 68 68 ASP N N 68 121.600 120.702 0.898 2
1 790 . 1 1 A 69 69 ARG H H 69 7.770 8.474 -0.704 2
1 791 . 1 1 A 69 69 ARG HA H 69 3.650 3.947 -0.297 2
1 798 . 1 1 A 69 69 ARG CA C 69 59.800 59.073 0.727 2
1 799 . 1 1 A 69 69 ARG CB C 69 28.700 29.859 -1.159 2
1 802 . 1 1 A 69 69 ARG N N 69 123.700 125.950 -2.250 2
1 803 . 1 1 A 70 70 ALA H H 70 8.490 8.111 0.379 2
1 804 . 1 1 A 70 70 ALA HA H 70 4.040 4.032 0.008 2
1 808 . 1 1 A 70 70 ALA CA C 70 54.700 54.845 -0.145 2
1 809 . 1 1 A 70 70 ALA CB C 70 17.800 18.817 -1.017 2
1 810 . 1 1 A 70 70 ALA N N 70 122.400 122.287 0.113 2
1 811 . 1 1 A 71 71 GLY H H 71 8.540 8.563 -0.023 2
1 812 . 1 1 A 71 71 GLY HA2 H 71 3.570 3.700 -0.130 2
1 813 . 1 1 A 71 71 GLY HA3 H 71 3.710 3.714 -0.004 2
1 814 . 1 1 A 71 71 GLY CA C 71 47.100 46.857 0.243 2
1 815 . 1 1 A 71 71 GLY N N 71 109.100 107.068 2.032 2
1 816 . 1 1 A 72 72 ALA H H 72 8.060 7.756 0.304 2
1 817 . 1 1 A 72 72 ALA HA H 72 3.310 3.404 -0.094 2
1 821 . 1 1 A 72 72 ALA CA C 72 55.200 54.639 0.561 2
1 822 . 1 1 A 72 72 ALA CB C 72 17.200 18.188 -0.988 2
1 823 . 1 1 A 72 72 ALA N N 72 126.600 124.690 1.910 2
1 824 . 1 1 A 73 73 ARG H H 73 7.840 7.800 0.040 2
1 825 . 1 1 A 73 73 ARG HA H 73 3.760 4.218 -0.458 2
1 832 . 1 1 A 73 73 ARG CA C 73 59.700 59.505 0.195 2
1 833 . 1 1 A 73 73 ARG CB C 73 29.800 29.957 -0.157 2
1 836 . 1 1 A 73 73 ARG N N 73 116.300 118.014 -1.714 2
1 837 . 1 1 A 74 74 GLN H H 74 7.690 8.094 -0.404 2
1 838 . 1 1 A 74 74 GLN HA H 74 3.970 4.088 -0.118 2
1 845 . 1 1 A 74 74 GLN CA C 74 58.800 58.809 -0.009 2
1 846 . 1 1 A 74 74 GLN CB C 74 28.400 28.472 -0.072 2
1 848 . 1 1 A 74 74 GLN N N 74 116.500 118.476 -1.976 2
1 850 . 1 1 A 75 75 ALA H H 75 8.160 7.757 0.403 2
1 851 . 1 1 A 75 75 ALA HA H 75 4.350 4.077 0.273 2
1 855 . 1 1 A 75 75 ALA CA C 75 54.400 54.968 -0.568 2
1 856 . 1 1 A 75 75 ALA CB C 75 17.600 18.084 -0.484 2
1 857 . 1 1 A 75 75 ALA N N 75 121.900 121.620 0.280 2
1 858 . 1 1 A 76 76 TRP H H 76 8.640 8.118 0.522 2
1 859 . 1 1 A 76 76 TRP HA H 76 4.640 4.496 0.144 2
1 868 . 1 1 A 76 76 TRP CA C 76 58.200 60.093 -1.893 2
1 869 . 1 1 A 76 76 TRP CB C 76 27.600 29.394 -1.794 2
1 875 . 1 1 A 76 76 TRP N N 76 118.400 118.854 -0.454 2
1 877 . 1 1 A 77 77 GLU H H 77 9.050 8.502 0.548 2
1 878 . 1 1 A 77 77 GLU HA H 77 4.010 3.980 0.030 2
1 883 . 1 1 A 77 77 GLU CA C 77 58.900 59.871 -0.971 2
1 884 . 1 1 A 77 77 GLU CB C 77 28.100 29.386 -1.286 2
1 886 . 1 1 A 77 77 GLU N N 77 121.000 120.019 0.981 2
1 887 . 1 1 A 78 78 SER H H 78 8.280 7.916 0.364 2
1 888 . 1 1 A 78 78 SER HA H 78 3.800 4.176 -0.376 2
1 891 . 1 1 A 78 78 SER CA C 78 62.400 61.790 0.610 2
1 892 . 1 1 A 78 78 SER CB C 78 68.000 62.628 5.372 2
1 893 . 1 1 A 78 78 SER N N 78 120.000 116.646 3.354 2
1 894 . 1 1 A 79 79 GLY H H 79 8.580 8.585 -0.005 2
1 895 . 1 1 A 79 79 GLY HA2 H 79 3.470 3.575 -0.105 2
1 896 . 1 1 A 79 79 GLY HA3 H 79 3.580 3.881 -0.301 2
1 897 . 1 1 A 79 79 GLY CA C 79 47.000 46.964 0.036 2
1 898 . 1 1 A 79 79 GLY N N 79 111.000 108.932 2.068 2
1 899 . 1 1 A 80 80 LEU H H 80 8.640 8.354 0.286 2
1 900 . 1 1 A 80 80 LEU HA H 80 3.830 4.116 -0.286 2
1 910 . 1 1 A 80 80 LEU CA C 80 58.200 57.665 0.535 2
1 911 . 1 1 A 80 80 LEU CB C 80 41.800 41.572 0.228 2
1 915 . 1 1 A 80 80 LEU N N 80 125.600 123.099 2.501 2
1 916 . 1 1 A 81 81 ALA H H 81 7.400 8.066 -0.666 2
1 917 . 1 1 A 81 81 ALA HA H 81 4.140 3.938 0.203 2
1 921 . 1 1 A 81 81 ALA CA C 81 54.600 55.162 -0.562 2
1 922 . 1 1 A 81 81 ALA CB C 81 17.500 18.095 -0.595 2
1 923 . 1 1 A 81 81 ALA N N 81 120.400 120.651 -0.251 2
1 924 . 1 1 A 82 82 ALA H H 82 7.640 7.715 -0.075 2
1 925 . 1 1 A 82 82 ALA HA H 82 4.160 3.899 0.261 2
1 929 . 1 1 A 82 82 ALA CA C 82 54.700 54.678 0.022 2
1 930 . 1 1 A 82 82 ALA CB C 82 17.200 17.989 -0.789 2
1 931 . 1 1 A 82 82 ALA N N 82 120.900 120.120 0.780 2
1 932 . 1 1 A 83 83 ALA H H 83 8.910 8.010 0.900 2
1 933 . 1 1 A 83 83 ALA HA H 83 4.260 4.385 -0.125 2
1 937 . 1 1 A 83 83 ALA CA C 83 54.900 55.423 -0.523 2
1 938 . 1 1 A 83 83 ALA CB C 83 18.600 18.128 0.472 2
1 939 . 1 1 A 83 83 ALA N N 83 122.000 120.024 1.976 2
1 940 . 1 1 A 84 84 GLN H H 84 8.770 8.446 0.324 2
1 941 . 1 1 A 84 84 GLN HA H 84 3.940 4.074 -0.134 2
1 948 . 1 1 A 84 84 GLN CA C 84 58.800 59.153 -0.353 2
1 949 . 1 1 A 84 84 GLN CB C 84 28.200 28.334 -0.134 2
1 951 . 1 1 A 84 84 GLN N N 84 118.400 118.716 -0.316 2
1 953 . 1 1 A 85 85 SER H H 85 7.920 8.293 -0.373 2
1 954 . 1 1 A 85 85 SER HA H 85 4.250 4.163 0.087 2
1 957 . 1 1 A 85 85 SER CA C 85 61.200 61.361 -0.161 2
1 958 . 1 1 A 85 85 SER CB C 85 62.700 63.011 -0.311 2
1 959 . 1 1 A 85 85 SER N N 85 115.200 115.600 -0.400 2
1 960 . 1 1 A 86 86 ARG H H 86 7.590 7.715 -0.125 2
1 961 . 1 1 A 86 86 ARG HA H 86 4.380 4.440 -0.060 2
1 968 . 1 1 A 86 86 ARG CA C 86 55.800 56.151 -0.351 2
1 969 . 1 1 A 86 86 ARG CB C 86 31.200 30.961 0.239 2
1 972 . 1 1 A 86 86 ARG N N 86 117.800 118.219 -0.419 2
1 973 . 1 1 A 87 87 GLY H H 87 7.790 7.926 -0.136 2
1 974 . 1 1 A 87 87 GLY HA2 H 87 3.870 3.951 -0.081 2
1 975 . 1 1 A 87 87 GLY HA3 H 87 4.080 3.953 0.127 2
1 976 . 1 1 A 87 87 GLY CA C 87 46.100 46.115 -0.016 2
1 977 . 1 1 A 87 87 GLY N N 87 109.100 108.703 0.397 2
1 978 . 1 1 A 88 88 ASP H H 88 8.210 8.419 -0.209 2
1 979 . 1 1 A 88 88 ASP HA H 88 4.830 4.836 -0.006 2
1 982 . 1 1 A 88 88 ASP CA C 88 52.100 52.653 -0.553 2
1 983 . 1 1 A 88 88 ASP CB C 88 39.000 39.434 -0.434 2
1 984 . 1 1 A 88 88 ASP N N 88 120.200 120.929 -0.729 2
1 985 . 1 1 A 89 89 GLN H H 89 8.110 8.285 -0.175 2
1 986 . 1 1 A 89 89 GLN HA H 89 3.840 4.045 -0.205 2
1 993 . 1 1 A 89 89 GLN CA C 89 58.500 59.125 -0.625 2
1 994 . 1 1 A 89 89 GLN CB C 89 28.000 28.427 -0.427 2
1 996 . 1 1 A 89 89 GLN N N 89 122.400 123.773 -1.373 2
1 998 . 1 1 A 90 90 GLN H H 90 8.720 7.889 0.831 2
1 999 . 1 1 A 90 90 GLN HA H 90 4.000 4.073 -0.073 2
1 1006 . 1 1 A 90 90 GLN CA C 90 58.800 58.677 0.123 2
1 1007 . 1 1 A 90 90 GLN CB C 90 27.800 28.397 -0.597 2
1 1009 . 1 1 A 90 90 GLN N N 90 119.100 120.044 -0.944 2
1 1011 . 1 1 A 91 91 VAL H H 91 7.170 7.929 -0.759 2
1 1012 . 1 1 A 91 91 VAL HA H 91 3.660 3.639 0.021 2
1 1020 . 1 1 A 91 91 VAL CA C 91 65.500 66.296 -0.796 2
1 1021 . 1 1 A 91 91 VAL CB C 91 31.300 31.597 -0.297 2
1 1024 . 1 1 A 91 91 VAL N N 91 119.900 119.544 0.356 2
1 1025 . 1 1 A 92 92 VAL H H 92 7.880 7.853 0.027 2
1 1026 . 1 1 A 92 92 VAL HA H 92 3.240 3.554 -0.314 2
1 1034 . 1 1 A 92 92 VAL CA C 92 67.300 66.976 0.324 2
1 1035 . 1 1 A 92 92 VAL CB C 92 31.500 31.460 0.040 2
1 1038 . 1 1 A 92 92 VAL N N 92 119.900 120.577 -0.677 2
1 1039 . 1 1 A 93 93 LYS H H 93 7.480 8.030 -0.550 2
1 1040 . 1 1 A 93 93 LYS HA H 93 3.920 3.882 0.038 2
1 1049 . 1 1 A 93 93 LYS CA C 93 59.300 60.045 -0.745 2
1 1050 . 1 1 A 93 93 LYS CB C 93 31.900 32.020 -0.120 2
1 1054 . 1 1 A 93 93 LYS N N 93 116.000 118.614 -2.614 2
1 1055 . 1 1 A 94 94 GLU H H 94 7.480 8.085 -0.605 2
1 1056 . 1 1 A 94 94 GLU HA H 94 3.580 3.986 -0.406 2
1 1061 . 1 1 A 94 94 GLU CA C 94 58.600 58.923 -0.323 2
1 1062 . 1 1 A 94 94 GLU CB C 94 29.500 29.435 0.065 2
1 1064 . 1 1 A 94 94 GLU N N 94 117.500 120.481 -2.981 2
1 1065 . 1 1 A 95 95 LEU H H 95 8.370 8.559 -0.189 2
1 1066 . 1 1 A 95 95 LEU HA H 95 3.530 4.102 -0.572 2
1 1076 . 1 1 A 95 95 LEU CA C 95 57.600 57.758 -0.158 2
1 1077 . 1 1 A 95 95 LEU CB C 95 40.900 41.115 -0.215 2
1 1081 . 1 1 A 95 95 LEU N N 95 117.500 120.107 -2.607 2
1 1082 . 1 1 A 96 96 GLN H H 96 8.330 8.243 0.087 2
1 1083 . 1 1 A 96 96 GLN HA H 96 3.980 3.936 0.044 2
1 1090 . 1 1 A 96 96 GLN CA C 96 58.900 58.948 -0.048 2
1 1091 . 1 1 A 96 96 GLN CB C 96 28.100 28.221 -0.121 2
1 1093 . 1 1 A 96 96 GLN N N 96 117.600 119.118 -1.518 2
1 1095 . 1 1 A 97 97 VAL H H 97 7.450 7.551 -0.101 2
1 1096 . 1 1 A 97 97 VAL HA H 97 3.450 3.452 -0.002 2
1 1104 . 1 1 A 97 97 VAL CA C 97 66.700 66.178 0.522 2
1 1105 . 1 1 A 97 97 VAL CB C 97 31.000 31.229 -0.229 2
1 1108 . 1 1 A 97 97 VAL N N 97 120.300 119.436 0.864 2
1 1109 . 1 1 A 98 98 PHE H H 98 7.460 7.156 0.304 2
1 1110 . 1 1 A 98 98 PHE HA H 98 3.980 3.972 0.008 2
1 1118 . 1 1 A 98 98 PHE CA C 98 58.700 60.753 -2.053 2
1 1119 . 1 1 A 98 98 PHE CB C 98 35.500 37.680 -2.180 2
1 1123 . 1 1 A 98 98 PHE N N 98 119.100 118.041 1.059 2
1 1124 . 1 1 A 99 99 LEU H H 99 8.330 7.973 0.357 2
1 1125 . 1 1 A 99 99 LEU HA H 99 4.090 3.902 0.188 2
1 1135 . 1 1 A 99 99 LEU CA C 99 57.800 57.693 0.107 2
1 1136 . 1 1 A 99 99 LEU CB C 99 41.800 41.271 0.529 2
1 1140 . 1 1 A 99 99 LEU N N 99 119.300 119.700 -0.400 2
1 1141 . 1 1 A 100 100 ARG H H 100 8.350 7.918 0.432 2
1 1142 . 1 1 A 100 100 ARG HA H 100 4.110 4.005 0.105 2
1 1149 . 1 1 A 100 100 ARG CA C 100 59.300 59.491 -0.191 2
1 1150 . 1 1 A 100 100 ARG CB C 100 29.900 30.038 -0.138 2
1 1153 . 1 1 A 100 100 ARG N N 100 121.900 119.742 2.158 2
1 1154 . 1 1 A 101 101 ARG H H 101 8.110 7.544 0.566 2
1 1155 . 1 1 A 101 101 ARG HA H 101 4.020 4.096 -0.076 2
1 1162 . 1 1 A 101 101 ARG CA C 101 57.600 58.795 -1.195 2
1 1163 . 1 1 A 101 101 ARG CB C 101 30.200 29.948 0.252 2
1 1166 . 1 1 A 101 101 ARG N N 101 120.500 119.737 0.763 2
1 1167 . 1 1 A 102 102 LEU H H 102 7.890 8.246 -0.356 2
1 1168 . 1 1 A 102 102 LEU HA H 102 4.150 4.191 -0.041 2
1 1178 . 1 1 A 102 102 LEU CA C 102 57.600 57.734 -0.134 2
1 1179 . 1 1 A 102 102 LEU CB C 102 42.300 41.453 0.847 2
1 1183 . 1 1 A 102 102 LEU N N 102 119.900 121.095 -1.195 2
1 1184 . 1 1 A 103 103 ALA H H 103 7.880 8.415 -0.535 2
1 1185 . 1 1 A 103 103 ALA HA H 103 4.170 3.990 0.180 2
1 1189 . 1 1 A 103 103 ALA CA C 103 54.700 55.070 -0.370 2
1 1190 . 1 1 A 103 103 ALA CB C 103 17.800 18.244 -0.444 2
1 1191 . 1 1 A 103 103 ALA N N 103 120.000 120.842 -0.842 2
1 1192 . 1 1 A 104 104 ARG H H 104 8.060 7.760 0.300 2
1 1193 . 1 1 A 104 104 ARG HA H 104 4.130 4.091 0.039 2
1 1200 . 1 1 A 104 104 ARG CA C 104 58.500 59.669 -1.169 2
1 1201 . 1 1 A 104 104 ARG CB C 104 29.800 29.919 -0.119 2
1 1204 . 1 1 A 104 104 ARG N N 104 119.800 117.596 2.204 2
1 1205 . 1 1 A 105 105 GLU H H 105 8.050 8.049 0.001 2
1 1206 . 1 1 A 105 105 GLU HA H 105 4.020 4.130 -0.110 2
1 1211 . 1 1 A 105 105 GLU CA C 105 58.500 59.313 -0.813 2
1 1212 . 1 1 A 105 105 GLU CB C 105 28.900 29.503 -0.603 2
1 1214 . 1 1 A 105 105 GLU N N 105 119.700 119.893 -0.193 2
1 1215 . 1 1 A 106 106 ASP H H 106 8.360 8.283 0.077 2
1 1216 . 1 1 A 106 106 ASP HA H 106 4.380 4.398 -0.018 2
1 1219 . 1 1 A 106 106 ASP CA C 106 56.500 57.693 -1.193 2
1 1220 . 1 1 A 106 106 ASP CB C 106 40.500 41.482 -0.982 2
1 1221 . 1 1 A 106 106 ASP N N 106 119.800 119.991 -0.191 2
1 1222 . 1 1 A 107 107 ALA H H 107 7.910 8.353 -0.443 2
1 1223 . 1 1 A 107 107 ALA HA H 107 4.150 4.167 -0.017 2
1 1227 . 1 1 A 107 107 ALA CA C 107 54.200 54.979 -0.779 2
1 1228 . 1 1 A 107 107 ALA CB C 107 18.100 18.447 -0.347 2
1 1229 . 1 1 A 107 107 ALA N N 107 121.900 121.721 0.179 2
1 1230 . 1 1 A 108 108 LEU H H 108 7.840 7.782 0.059 2
1 1231 . 1 1 A 108 108 LEU HA H 108 4.120 4.069 0.051 2
1 1241 . 1 1 A 108 108 LEU CA C 108 56.400 57.452 -1.052 2
1 1242 . 1 1 A 108 108 LEU CB C 108 42.000 41.730 0.270 2
1 1246 . 1 1 A 108 108 LEU N N 108 119.000 118.823 0.177 2
1 1247 . 1 1 A 109 109 GLU H H 109 7.860 8.024 -0.164 2
1 1248 . 1 1 A 109 109 GLU HA H 109 4.090 4.364 -0.274 2
1 1253 . 1 1 A 109 109 GLU CA C 109 57.000 57.450 -0.450 2
1 1254 . 1 1 A 109 109 GLU CB C 109 29.100 29.565 -0.465 2
1 1256 . 1 1 A 109 109 GLU N N 109 118.600 116.379 2.221 2
1 1257 . 1 1 A 110 110 HIS H H 110 8.140 8.195 -0.055 2
1 1258 . 1 1 A 110 110 HIS HA H 110 4.560 4.569 -0.009 2
1 1261 . 1 1 A 110 110 HIS CA C 110 55.600 56.725 -1.125 2
1 1262 . 1 1 A 110 110 HIS CB C 110 28.300 30.134 -1.834 2
1 1263 . 1 1 A 110 110 HIS N N 110 117.000 117.874 -0.874 2
1 1264 . 1 1 A 111 111 HIS H H 111 8.340 7.955 0.385 2
1 1265 . 1 1 A 111 111 HIS HA H 111 4.600 4.327 0.273 2
1 1268 . 1 1 A 111 111 HIS CA C 111 55.500 57.950 -2.450 2
1 1269 . 1 1 A 111 111 HIS CB C 111 28.500 29.817 -1.317 2
1 1270 . 1 1 A 111 111 HIS N N 111 117.800 118.480 -0.680 2
1 1271 . 1 1 A 112 112 HIS H H 112 8.530 8.022 0.508 2
1 1272 . 1 1 A 112 112 HIS HA H 112 4.620 4.424 0.196 2
1 1275 . 1 1 A 112 112 HIS CA C 112 55.300 56.273 -0.973 2
1 1276 . 1 1 A 112 112 HIS CB C 112 28.800 29.786 -0.986 2
1 1277 . 1 1 A 112 112 HIS N N 112 119.000 117.778 1.222 2
1 1278 . 1 1 A 113 113 HIS H H 113 8.660 7.947 0.713 2
1 1279 . 1 1 A 113 113 HIS HA H 113 4.640 4.511 0.129 2
1 1282 . 1 1 A 113 113 HIS CA C 113 55.200 56.013 -0.813 2
1 1283 . 1 1 A 113 113 HIS CB C 113 28.900 30.390 -1.490 2
1 1284 . 1 1 A 113 113 HIS N N 113 120.000 119.797 0.203 2
1 1285 . 1 1 A 114 114 HIS H H 114 8.630 8.276 0.354 2
1 1286 . 1 1 A 114 114 HIS HA H 114 4.610 4.490 0.120 2
1 1289 . 1 1 A 114 114 HIS CA C 114 55.200 56.334 -1.134 2
1 1290 . 1 1 A 114 114 HIS CB C 114 28.900 30.520 -1.620 2
1 1291 . 1 1 A 114 114 HIS N N 114 120.800 121.831 -1.031 2
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