data_16084_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16084
_Entry.PDB_ID 2KCL
_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 ASP H H 2 8.560 7.801 0.759 1
1 10 . 1 1 1 A 2 2 ASP HA H 2 4.850 5.012 -0.162 1
1 13 . 1 1 1 A 2 2 ASP CA C 2 52.200 51.450 0.750 1
1 14 . 1 1 1 A 2 2 ASP CB C 2 40.900 41.116 -0.216 1
1 15 . 1 1 1 A 2 2 ASP N N 2 123.000 120.050 2.950 1
1 16 . 1 1 1 A 3 3 PRO HA H 3 4.380 4.311 0.069 1
1 23 . 1 1 1 A 3 3 PRO CA C 3 63.500 64.432 -0.932 1
1 24 . 1 1 1 A 3 3 PRO CB C 3 32.100 31.924 0.176 1
1 27 . 1 1 1 A 4 4 GLU H H 4 8.410 8.779 -0.369 1
1 28 . 1 1 1 A 4 4 GLU HA H 4 4.250 4.073 0.177 1
1 33 . 1 1 1 A 4 4 GLU CA C 4 55.900 59.561 -3.661 1
1 34 . 1 1 1 A 4 4 GLU CB C 4 30.100 29.328 0.772 1
1 36 . 1 1 1 A 4 4 GLU N N 4 118.300 117.857 0.443 1
1 37 . 1 1 1 A 5 5 ASP H H 5 8.030 7.699 0.331 1
1 38 . 1 1 1 A 5 5 ASP HA H 5 4.730 4.745 -0.015 1
1 41 . 1 1 1 A 5 5 ASP CA C 5 52.600 52.651 -0.051 1
1 42 . 1 1 1 A 5 5 ASP CB C 5 41.700 40.637 1.063 1
1 43 . 1 1 1 A 5 5 ASP N N 5 123.700 120.067 3.633 1
1 44 . 1 1 1 A 6 6 PRO HA H 6 3.940 4.285 -0.345 1
1 51 . 1 1 1 A 6 6 PRO CA C 6 64.900 65.607 -0.707 1
1 52 . 1 1 1 A 6 6 PRO CB C 6 31.000 31.282 -0.282 1
1 55 . 1 1 1 A 7 7 PHE H H 7 8.130 7.618 0.512 1
1 56 . 1 1 1 A 7 7 PHE HA H 7 4.220 4.312 -0.092 1
1 64 . 1 1 1 A 7 7 PHE CA C 7 60.800 61.586 -0.786 1
1 65 . 1 1 1 A 7 7 PHE CB C 7 38.300 39.337 -1.037 1
1 69 . 1 1 1 A 7 7 PHE N N 7 117.200 118.546 -1.346 1
1 70 . 1 1 1 A 8 8 THR H H 8 7.830 8.243 -0.413 1
1 71 . 1 1 1 A 8 8 THR HA H 8 3.710 4.027 -0.317 1
1 76 . 1 1 1 A 8 8 THR CA C 8 66.200 66.963 -0.763 1
1 77 . 1 1 1 A 8 8 THR CB C 8 68.300 68.763 -0.463 1
1 79 . 1 1 1 A 8 8 THR N N 8 115.700 115.424 0.276 1
1 80 . 1 1 1 A 9 9 ARG H H 9 7.300 8.475 -1.175 1
1 81 . 1 1 1 A 9 9 ARG HA H 9 3.840 4.024 -0.184 1
1 89 . 1 1 1 A 9 9 ARG CA C 9 59.700 58.735 0.965 1
1 90 . 1 1 1 A 9 9 ARG CB C 9 30.400 30.111 0.289 1
1 93 . 1 1 1 A 9 9 ARG N N 9 121.400 120.232 1.168 1
1 95 . 1 1 1 A 10 10 TYR H H 10 8.480 8.335 0.145 1
1 96 . 1 1 1 A 10 10 TYR HA H 10 3.800 4.151 -0.351 1
1 103 . 1 1 1 A 10 10 TYR CA C 10 61.400 61.259 0.141 1
1 104 . 1 1 1 A 10 10 TYR CB C 10 38.300 38.831 -0.531 1
1 107 . 1 1 1 A 10 10 TYR N N 10 121.700 121.673 0.027 1
1 108 . 1 1 1 A 11 11 ALA H H 11 8.500 8.268 0.232 1
1 109 . 1 1 1 A 11 11 ALA HA H 11 3.700 3.658 0.042 1
1 113 . 1 1 1 A 11 11 ALA CA C 11 54.400 54.953 -0.553 1
1 114 . 1 1 1 A 11 11 ALA CB C 11 17.300 17.572 -0.272 1
1 115 . 1 1 1 A 11 11 ALA N N 11 121.700 121.480 0.220 1
1 116 . 1 1 1 A 12 12 LEU H H 12 7.690 8.149 -0.459 1
1 117 . 1 1 1 A 12 12 LEU HA H 12 3.920 3.831 0.089 1
1 127 . 1 1 1 A 12 12 LEU CA C 12 57.100 57.819 -0.719 1
1 128 . 1 1 1 A 12 12 LEU CB C 12 41.500 41.296 0.204 1
1 132 . 1 1 1 A 12 12 LEU N N 12 120.900 118.422 2.478 1
1 133 . 1 1 1 A 13 13 ALA H H 13 8.010 8.156 -0.146 1
1 134 . 1 1 1 A 13 13 ALA HA H 13 3.500 4.017 -0.517 1
1 138 . 1 1 1 A 13 13 ALA CA C 13 55.400 55.191 0.209 1
1 139 . 1 1 1 A 13 13 ALA CB C 13 17.400 18.160 -0.760 1
1 140 . 1 1 1 A 13 13 ALA N N 13 123.000 121.691 1.309 1
1 141 . 1 1 1 A 14 14 GLN H H 14 7.660 7.770 -0.110 1
1 142 . 1 1 1 A 14 14 GLN HA H 14 3.910 3.944 -0.034 1
1 149 . 1 1 1 A 14 14 GLN CA C 14 58.200 58.752 -0.552 1
1 150 . 1 1 1 A 14 14 GLN CB C 14 27.700 28.448 -0.748 1
1 152 . 1 1 1 A 14 14 GLN N N 14 114.000 117.185 -3.185 1
1 154 . 1 1 1 A 15 15 GLU H H 15 7.900 8.089 -0.189 1
1 155 . 1 1 1 A 15 15 GLU HA H 15 3.900 3.939 -0.039 1
1 160 . 1 1 1 A 15 15 GLU CA C 15 58.800 59.343 -0.543 1
1 161 . 1 1 1 A 15 15 GLU CB C 15 28.600 29.603 -1.003 1
1 163 . 1 1 1 A 15 15 GLU N N 15 122.400 120.885 1.515 1
1 164 . 1 1 1 A 16 16 HIS H H 16 8.220 7.875 0.345 1
1 165 . 1 1 1 A 16 16 HIS HA H 16 4.520 4.458 0.062 1
1 170 . 1 1 1 A 16 16 HIS CA C 16 59.700 58.963 0.737 1
1 171 . 1 1 1 A 16 16 HIS CB C 16 29.600 29.986 -0.386 1
1 174 . 1 1 1 A 16 16 HIS N N 16 119.100 119.083 0.017 1
1 175 . 1 1 1 A 17 17 LEU H H 17 8.090 8.391 -0.301 1
1 176 . 1 1 1 A 17 17 LEU HA H 17 3.870 3.849 0.021 1
1 186 . 1 1 1 A 17 17 LEU CA C 17 57.900 57.975 -0.075 1
1 187 . 1 1 1 A 17 17 LEU CB C 17 41.400 41.432 -0.032 1
1 191 . 1 1 1 A 17 17 LEU N N 17 120.500 119.792 0.708 1
1 192 . 1 1 1 A 18 18 LYS H H 18 7.960 7.789 0.171 1
1 193 . 1 1 1 A 18 18 LYS HA H 18 4.030 3.967 0.063 1
1 202 . 1 1 1 A 18 18 LYS CA C 18 58.400 58.576 -0.176 1
1 203 . 1 1 1 A 18 18 LYS CB C 18 31.800 32.012 -0.212 1
1 207 . 1 1 1 A 18 18 LYS N N 18 121.000 117.227 3.773 1
1 208 . 1 1 1 A 19 19 HIS H H 19 7.410 7.322 0.088 1
1 209 . 1 1 1 A 19 19 HIS HA H 19 4.720 4.622 0.098 1
1 213 . 1 1 1 A 19 19 HIS CA C 19 54.700 55.577 -0.877 1
1 214 . 1 1 1 A 19 19 HIS CB C 19 28.500 30.005 -1.505 1
1 216 . 1 1 1 A 19 19 HIS N N 19 115.800 115.060 0.740 1
1 217 . 1 1 1 A 20 20 ASP H H 20 8.010 8.196 -0.186 1
1 218 . 1 1 1 A 20 20 ASP HA H 20 4.370 4.179 0.191 1
1 221 . 1 1 1 A 20 20 ASP CA C 20 55.600 55.611 -0.011 1
1 222 . 1 1 1 A 20 20 ASP CB C 20 39.600 40.711 -1.111 1
1 223 . 1 1 1 A 20 20 ASP N N 20 115.900 118.342 -2.442 1
1 224 . 1 1 1 A 21 21 ASN H H 21 8.450 8.460 -0.010 1
1 225 . 1 1 1 A 21 21 ASN HA H 21 5.130 4.998 0.132 1
1 230 . 1 1 1 A 21 21 ASN CA C 21 50.600 52.096 -1.496 1
1 231 . 1 1 1 A 21 21 ASN CB C 21 37.000 36.529 0.471 1
1 232 . 1 1 1 A 21 21 ASN N N 21 118.700 118.598 0.102 1
1 234 . 1 1 1 A 22 22 ALA H H 22 8.010 8.382 -0.372 1
1 235 . 1 1 1 A 22 22 ALA HA H 22 3.840 4.016 -0.176 1
1 239 . 1 1 1 A 22 22 ALA CA C 22 55.300 55.354 -0.054 1
1 240 . 1 1 1 A 22 22 ALA CB C 22 18.300 18.480 -0.180 1
1 241 . 1 1 1 A 22 22 ALA N N 22 123.300 126.387 -3.087 1
1 242 . 1 1 1 A 23 23 SER H H 23 8.670 8.129 0.541 1
1 243 . 1 1 1 A 23 23 SER HA H 23 4.070 4.213 -0.143 1
1 246 . 1 1 1 A 23 23 SER CA C 23 61.800 59.930 1.870 1
1 247 . 1 1 1 A 23 23 SER CB C 23 61.900 62.979 -1.079 1
1 248 . 1 1 1 A 23 23 SER N N 23 112.500 113.302 -0.802 1
1 249 . 1 1 1 A 24 24 ARG H H 24 7.230 7.968 -0.738 1
1 250 . 1 1 1 A 24 24 ARG HA H 24 3.960 3.836 0.124 1
1 257 . 1 1 1 A 24 24 ARG CA C 24 57.000 59.628 -2.628 1
1 258 . 1 1 1 A 24 24 ARG CB C 24 29.100 29.739 -0.639 1
1 261 . 1 1 1 A 24 24 ARG N N 24 122.300 121.631 0.669 1
1 262 . 1 1 1 A 25 25 ALA H H 25 7.340 7.808 -0.468 1
1 263 . 1 1 1 A 25 25 ALA HA H 25 3.570 3.983 -0.413 1
1 267 . 1 1 1 A 25 25 ALA CA C 25 55.300 54.901 0.399 1
1 268 . 1 1 1 A 25 25 ALA CB C 25 18.700 18.180 0.520 1
1 269 . 1 1 1 A 25 25 ALA N N 25 120.200 121.838 -1.638 1
1 270 . 1 1 1 A 26 26 LEU H H 26 8.420 8.416 0.004 1
1 271 . 1 1 1 A 26 26 LEU HA H 26 3.800 4.238 -0.438 1
1 281 . 1 1 1 A 26 26 LEU CA C 26 58.300 57.876 0.424 1
1 282 . 1 1 1 A 26 26 LEU CB C 26 41.800 41.447 0.353 1
1 286 . 1 1 1 A 26 26 LEU N N 26 116.500 120.342 -3.842 1
1 287 . 1 1 1 A 27 27 ALA H H 27 7.190 8.335 -1.145 1
1 288 . 1 1 1 A 27 27 ALA HA H 27 4.120 4.031 0.089 1
1 292 . 1 1 1 A 27 27 ALA CA C 27 54.700 55.137 -0.437 1
1 293 . 1 1 1 A 27 27 ALA CB C 27 18.000 18.099 -0.099 1
1 294 . 1 1 1 A 27 27 ALA N N 27 118.200 120.802 -2.602 1
1 295 . 1 1 1 A 28 28 LEU H H 28 7.500 7.721 -0.221 1
1 296 . 1 1 1 A 28 28 LEU HA H 28 4.070 3.934 0.136 1
1 306 . 1 1 1 A 28 28 LEU CA C 28 57.600 57.787 -0.187 1
1 307 . 1 1 1 A 28 28 LEU CB C 28 43.100 41.910 1.190 1
1 311 . 1 1 1 A 28 28 LEU N N 28 118.300 118.412 -0.112 1
1 312 . 1 1 1 A 29 29 PHE H H 29 8.690 8.043 0.647 1
1 313 . 1 1 1 A 29 29 PHE HA H 29 4.630 4.283 0.347 1
1 321 . 1 1 1 A 29 29 PHE CA C 29 58.700 60.586 -1.886 1
1 322 . 1 1 1 A 29 29 PHE CB C 29 40.300 38.262 2.038 1
1 326 . 1 1 1 A 29 29 PHE N N 29 119.000 118.253 0.747 1
1 327 . 1 1 1 A 30 30 GLU H H 30 8.990 8.623 0.367 1
1 328 . 1 1 1 A 30 30 GLU HA H 30 3.790 3.881 -0.091 1
1 333 . 1 1 1 A 30 30 GLU CA C 30 60.100 60.194 -0.094 1
1 334 . 1 1 1 A 30 30 GLU CB C 30 29.100 29.161 -0.061 1
1 336 . 1 1 1 A 30 30 GLU N N 30 117.400 118.895 -1.495 1
1 337 . 1 1 1 A 31 31 GLU H H 31 7.830 8.299 -0.469 1
1 338 . 1 1 1 A 31 31 GLU HA H 31 4.160 4.055 0.105 1
1 343 . 1 1 1 A 31 31 GLU CA C 31 58.800 59.101 -0.301 1
1 344 . 1 1 1 A 31 31 GLU CB C 31 29.900 29.613 0.287 1
1 346 . 1 1 1 A 31 31 GLU N N 31 119.500 119.859 -0.359 1
1 347 . 1 1 1 A 32 32 LEU H H 32 7.920 8.442 -0.522 1
1 348 . 1 1 1 A 32 32 LEU HA H 32 4.130 4.297 -0.167 1
1 358 . 1 1 1 A 32 32 LEU CA C 32 58.200 58.248 -0.048 1
1 359 . 1 1 1 A 32 32 LEU CB C 32 43.000 41.693 1.307 1
1 363 . 1 1 1 A 32 32 LEU N N 32 122.000 119.843 2.157 1
1 364 . 1 1 1 A 33 33 VAL H H 33 7.460 7.881 -0.421 1
1 365 . 1 1 1 A 33 33 VAL HA H 33 3.590 3.448 0.142 1
1 373 . 1 1 1 A 33 33 VAL CA C 33 65.800 66.959 -1.159 1
1 374 . 1 1 1 A 33 33 VAL CB C 33 31.500 31.373 0.127 1
1 377 . 1 1 1 A 33 33 VAL N N 33 116.000 119.927 -3.927 1
1 378 . 1 1 1 A 34 34 GLU H H 34 7.210 8.253 -1.043 1
1 379 . 1 1 1 A 34 34 GLU HA H 34 4.130 4.150 -0.020 1
1 384 . 1 1 1 A 34 34 GLU CA C 34 58.500 58.793 -0.293 1
1 385 . 1 1 1 A 34 34 GLU CB C 34 29.900 28.905 0.995 1
1 387 . 1 1 1 A 34 34 GLU N N 34 117.400 119.673 -2.273 1
1 388 . 1 1 1 A 35 35 THR H H 35 9.100 7.742 1.358 1
1 389 . 1 1 1 A 35 35 THR HA H 35 4.180 4.333 -0.153 1
1 394 . 1 1 1 A 35 35 THR CA C 35 63.900 63.848 0.052 1
1 395 . 1 1 1 A 35 35 THR CB C 35 69.300 69.162 0.138 1
1 397 . 1 1 1 A 35 35 THR N N 35 109.900 111.628 -1.728 1
1 398 . 1 1 1 A 36 36 ASP H H 36 8.630 8.197 0.433 1
1 399 . 1 1 1 A 36 36 ASP HA H 36 5.300 5.137 0.163 1
1 402 . 1 1 1 A 36 36 ASP CA C 36 52.700 51.563 1.137 1
1 403 . 1 1 1 A 36 36 ASP CB C 36 42.400 41.383 1.017 1
1 404 . 1 1 1 A 36 36 ASP N N 36 122.800 120.607 2.193 1
1 405 . 1 1 1 A 37 37 PRO HA H 37 4.560 4.638 -0.078 1
1 412 . 1 1 1 A 37 37 PRO CA C 37 64.400 64.391 0.009 1
1 413 . 1 1 1 A 37 37 PRO CB C 37 31.100 31.968 -0.868 1
1 416 . 1 1 1 A 38 38 ASP H H 38 8.630 8.572 0.058 1
1 417 . 1 1 1 A 38 38 ASP HA H 38 4.570 4.716 -0.146 1
1 420 . 1 1 1 A 38 38 ASP CA C 38 53.800 54.294 -0.494 1
1 421 . 1 1 1 A 38 38 ASP CB C 38 39.500 40.178 -0.678 1
1 422 . 1 1 1 A 38 38 ASP N N 38 113.700 116.171 -2.471 1
1 423 . 1 1 1 A 39 39 TYR H H 39 8.110 7.863 0.247 1
1 424 . 1 1 1 A 39 39 TYR HA H 39 4.540 4.763 -0.223 1
1 431 . 1 1 1 A 39 39 TYR CA C 39 58.500 56.383 2.117 1
1 432 . 1 1 1 A 39 39 TYR CB C 39 36.500 37.797 -1.297 1
1 435 . 1 1 1 A 39 39 TYR N N 39 123.700 121.860 1.840 1
1 436 . 1 1 1 A 40 40 VAL H H 40 7.880 7.931 -0.051 1
1 437 . 1 1 1 A 40 40 VAL HA H 40 3.770 3.812 -0.042 1
1 445 . 1 1 1 A 40 40 VAL CA C 40 65.000 66.392 -1.392 1
1 446 . 1 1 1 A 40 40 VAL CB C 40 32.500 31.661 0.839 1
1 449 . 1 1 1 A 40 40 VAL N N 40 128.100 125.757 2.343 1
1 450 . 1 1 1 A 41 41 GLY H H 41 7.530 7.955 -0.425 1
1 451 . 1 1 1 A 41 41 GLY HA2 H 41 3.410 3.352 0.058 1
1 452 . 1 1 1 A 41 41 GLY HA3 H 41 3.880 3.837 0.043 1
1 453 . 1 1 1 A 41 41 GLY CA C 41 46.400 46.884 -0.484 1
1 454 . 1 1 1 A 41 41 GLY N N 41 105.900 108.361 -2.461 1
1 455 . 1 1 1 A 42 42 THR H H 42 7.150 7.141 0.009 1
1 456 . 1 1 1 A 42 42 THR HA H 42 3.580 4.259 -0.679 1
1 462 . 1 1 1 A 42 42 THR CA C 42 65.600 66.646 -1.046 1
1 463 . 1 1 1 A 42 42 THR CB C 42 68.900 68.507 0.393 1
1 465 . 1 1 1 A 42 42 THR N N 42 111.900 118.028 -6.128 1
1 466 . 1 1 1 A 43 43 TYR H H 43 7.040 8.534 -1.494 1
1 467 . 1 1 1 A 43 43 TYR HA H 43 3.460 4.228 -0.768 1
1 474 . 1 1 1 A 43 43 TYR CA C 43 64.100 60.443 3.657 1
1 475 . 1 1 1 A 43 43 TYR CB C 43 38.300 38.134 0.166 1
1 478 . 1 1 1 A 43 43 TYR N N 43 113.500 120.353 -6.853 1
1 479 . 1 1 1 A 44 44 TYR H H 44 9.770 8.098 1.672 1
1 480 . 1 1 1 A 44 44 TYR HA H 44 3.990 4.433 -0.443 1
1 487 . 1 1 1 A 44 44 TYR CA C 44 61.900 62.055 -0.155 1
1 488 . 1 1 1 A 44 44 TYR CB C 44 38.800 39.327 -0.527 1
1 491 . 1 1 1 A 44 44 TYR N N 44 119.800 120.721 -0.921 1
1 492 . 1 1 1 A 45 45 HIS H H 45 6.380 8.173 -1.793 1
1 493 . 1 1 1 A 45 45 HIS HA H 45 3.770 4.378 -0.608 1
1 498 . 1 1 1 A 45 45 HIS CA C 45 58.500 59.600 -1.100 1
1 499 . 1 1 1 A 45 45 HIS CB C 45 31.600 30.099 1.501 1
1 502 . 1 1 1 A 45 45 HIS N N 45 114.500 116.870 -2.370 1
1 503 . 1 1 1 A 46 46 LEU H H 46 8.360 8.439 -0.079 1
1 504 . 1 1 1 A 46 46 LEU HA H 46 3.660 3.203 0.457 1
1 514 . 1 1 1 A 46 46 LEU CA C 46 57.100 57.494 -0.394 1
1 515 . 1 1 1 A 46 46 LEU CB C 46 40.800 41.561 -0.761 1
1 519 . 1 1 1 A 46 46 LEU N N 46 121.100 120.577 0.523 1
1 520 . 1 1 1 A 47 47 GLY H H 47 8.440 8.013 0.427 1
1 521 . 1 1 1 A 47 47 GLY HA2 H 47 3.350 2.968 0.382 1
1 522 . 1 1 1 A 47 47 GLY HA3 H 47 3.530 3.606 -0.076 1
1 523 . 1 1 1 A 47 47 GLY CA C 47 47.200 46.763 0.437 1
1 524 . 1 1 1 A 47 47 GLY N N 47 106.500 106.248 0.252 1
1 525 . 1 1 1 A 48 48 LYS H H 48 7.970 7.659 0.311 1
1 526 . 1 1 1 A 48 48 LYS HA H 48 3.800 4.074 -0.274 1
1 535 . 1 1 1 A 48 48 LYS CA C 48 58.200 59.385 -1.185 1
1 536 . 1 1 1 A 48 48 LYS CB C 48 31.600 32.371 -0.771 1
1 540 . 1 1 1 A 48 48 LYS N N 48 120.500 121.970 -1.470 1
1 541 . 1 1 1 A 49 49 LEU H H 49 7.800 7.665 0.135 1
1 542 . 1 1 1 A 49 49 LEU HA H 49 4.170 3.919 0.251 1
1 552 . 1 1 1 A 49 49 LEU CA C 49 57.500 57.529 -0.029 1
1 553 . 1 1 1 A 49 49 LEU CB C 49 41.000 41.693 -0.693 1
1 557 . 1 1 1 A 49 49 LEU N N 49 124.000 120.759 3.241 1
1 558 . 1 1 1 A 50 50 TYR H H 50 8.610 7.964 0.646 1
1 559 . 1 1 1 A 50 50 TYR HA H 50 4.420 4.342 0.078 1
1 566 . 1 1 1 A 50 50 TYR CA C 50 59.600 60.557 -0.957 1
1 567 . 1 1 1 A 50 50 TYR CB C 50 35.600 37.819 -2.219 1
1 570 . 1 1 1 A 50 50 TYR N N 50 119.000 118.755 0.245 1
1 571 . 1 1 1 A 51 51 GLU H H 51 8.410 8.283 0.127 1
1 572 . 1 1 1 A 51 51 GLU HA H 51 3.760 3.917 -0.157 1
1 577 . 1 1 1 A 51 51 GLU CA C 51 61.600 59.939 1.661 1
1 578 . 1 1 1 A 51 51 GLU CB C 51 29.800 29.303 0.497 1
1 580 . 1 1 1 A 51 51 GLU N N 51 118.600 119.219 -0.619 1
1 581 . 1 1 1 A 52 52 ARG H H 52 7.910 7.871 0.039 1
1 582 . 1 1 1 A 52 52 ARG HA H 52 4.150 4.144 0.006 1
1 589 . 1 1 1 A 52 52 ARG CA C 52 58.600 58.636 -0.036 1
1 590 . 1 1 1 A 52 52 ARG CB C 52 29.600 30.046 -0.446 1
1 593 . 1 1 1 A 52 52 ARG N N 52 122.200 120.485 1.715 1
1 594 . 1 1 1 A 53 53 LEU H H 53 7.740 7.769 -0.029 1
1 595 . 1 1 1 A 53 53 LEU HA H 53 4.400 4.374 0.026 1
1 605 . 1 1 1 A 53 53 LEU CA C 53 54.100 54.808 -0.708 1
1 606 . 1 1 1 A 53 53 LEU CB C 53 41.400 41.959 -0.559 1
1 610 . 1 1 1 A 53 53 LEU N N 53 119.400 117.997 1.403 1
1 611 . 1 1 1 A 54 54 ASP H H 54 8.090 8.144 -0.054 1
1 612 . 1 1 1 A 54 54 ASP HA H 54 4.410 4.275 0.135 1
1 615 . 1 1 1 A 54 54 ASP CA C 54 55.500 55.581 -0.081 1
1 616 . 1 1 1 A 54 54 ASP CB C 54 38.900 40.657 -1.757 1
1 617 . 1 1 1 A 54 54 ASP N N 54 116.300 118.286 -1.986 1
1 618 . 1 1 1 A 55 55 ARG H H 55 8.420 8.352 0.068 1
1 619 . 1 1 1 A 55 55 ARG HA H 55 4.680 4.605 0.075 1
1 627 . 1 1 1 A 55 55 ARG CA C 55 54.000 54.734 -0.734 1
1 628 . 1 1 1 A 55 55 ARG CB C 55 29.800 28.216 1.584 1
1 631 . 1 1 1 A 55 55 ARG N N 55 120.800 120.028 0.772 1
1 633 . 1 1 1 A 56 56 THR H H 56 7.870 7.848 0.022 1
1 634 . 1 1 1 A 56 56 THR HA H 56 3.510 3.754 -0.244 1
1 639 . 1 1 1 A 56 56 THR CA C 56 67.500 67.225 0.275 1
1 640 . 1 1 1 A 56 56 THR CB C 56 68.000 68.920 -0.920 1
1 642 . 1 1 1 A 56 56 THR N N 56 117.300 115.771 1.529 1
1 643 . 1 1 1 A 57 57 ASP H H 57 8.450 8.175 0.275 1
1 644 . 1 1 1 A 57 57 ASP HA H 57 4.260 4.324 -0.064 1
1 647 . 1 1 1 A 57 57 ASP CA C 57 57.900 57.487 0.413 1
1 648 . 1 1 1 A 57 57 ASP CB C 57 39.100 40.060 -0.960 1
1 649 . 1 1 1 A 57 57 ASP N N 57 120.300 120.103 0.197 1
1 650 . 1 1 1 A 58 58 ASP H H 58 7.540 7.898 -0.358 1
1 651 . 1 1 1 A 58 58 ASP HA H 58 4.170 4.173 -0.003 1
1 654 . 1 1 1 A 58 58 ASP CA C 58 56.900 56.886 0.014 1
1 655 . 1 1 1 A 58 58 ASP CB C 58 38.400 39.733 -1.333 1
1 656 . 1 1 1 A 58 58 ASP N N 58 120.200 119.953 0.247 1
1 657 . 1 1 1 A 59 59 ALA H H 59 8.110 7.949 0.161 1
1 658 . 1 1 1 A 59 59 ALA HA H 59 3.760 4.024 -0.264 1
1 662 . 1 1 1 A 59 59 ALA CA C 59 56.000 55.060 0.940 1
1 663 . 1 1 1 A 59 59 ALA CB C 59 19.200 18.616 0.584 1
1 664 . 1 1 1 A 59 59 ALA N N 59 124.700 121.939 2.761 1
1 665 . 1 1 1 A 60 60 ILE H H 60 8.230 8.256 -0.026 1
1 666 . 1 1 1 A 60 60 ILE HA H 60 3.520 3.884 -0.364 1
1 676 . 1 1 1 A 60 60 ILE CA C 60 66.800 65.017 1.783 1
1 677 . 1 1 1 A 60 60 ILE CB C 60 38.400 37.791 0.609 1
1 681 . 1 1 1 A 60 60 ILE N N 60 117.600 117.906 -0.306 1
1 682 . 1 1 1 A 61 61 ASP H H 61 7.750 8.035 -0.285 1
1 683 . 1 1 1 A 61 61 ASP HA H 61 4.440 4.283 0.157 1
1 686 . 1 1 1 A 61 61 ASP CA C 61 57.100 57.458 -0.358 1
1 687 . 1 1 1 A 61 61 ASP CB C 61 40.500 40.751 -0.251 1
1 688 . 1 1 1 A 61 61 ASP N N 61 118.300 120.219 -1.919 1
1 689 . 1 1 1 A 62 62 THR H H 62 8.040 8.055 -0.015 1
1 690 . 1 1 1 A 62 62 THR HA H 62 4.070 4.058 0.012 1
1 695 . 1 1 1 A 62 62 THR CA C 62 68.000 66.667 1.333 1
1 696 . 1 1 1 A 62 62 THR CB C 62 68.600 68.478 0.122 1
1 698 . 1 1 1 A 62 62 THR N N 62 119.800 115.891 3.909 1
1 699 . 1 1 1 A 63 63 TYR H H 63 8.970 8.163 0.807 1
1 700 . 1 1 1 A 63 63 TYR HA H 63 4.480 4.366 0.114 1
1 707 . 1 1 1 A 63 63 TYR CA C 63 59.200 60.960 -1.760 1
1 708 . 1 1 1 A 63 63 TYR CB C 63 37.700 37.394 0.306 1
1 711 . 1 1 1 A 63 63 TYR N N 63 121.700 120.527 1.173 1
1 712 . 1 1 1 A 64 64 ALA H H 64 8.690 8.403 0.287 1
1 713 . 1 1 1 A 64 64 ALA HA H 64 4.000 4.044 -0.044 1
1 717 . 1 1 1 A 64 64 ALA CA C 64 55.500 55.396 0.104 1
1 718 . 1 1 1 A 64 64 ALA CB C 64 17.800 17.930 -0.130 1
1 719 . 1 1 1 A 64 64 ALA N N 64 119.400 122.519 -3.119 1
1 720 . 1 1 1 A 65 65 GLN H H 65 8.100 8.410 -0.310 1
1 721 . 1 1 1 A 65 65 GLN HA H 65 4.010 4.065 -0.055 1
1 728 . 1 1 1 A 65 65 GLN CA C 65 58.600 58.756 -0.156 1
1 729 . 1 1 1 A 65 65 GLN CB C 65 28.500 28.488 0.012 1
1 731 . 1 1 1 A 65 65 GLN N N 65 119.600 117.461 2.139 1
1 733 . 1 1 1 A 66 66 GLY H H 66 8.430 8.424 0.006 1
1 734 . 1 1 1 A 66 66 GLY HA2 H 66 3.080 3.237 -0.157 1
1 735 . 1 1 1 A 66 66 GLY HA3 H 66 2.520 3.722 -1.202 1
1 736 . 1 1 1 A 66 66 GLY CA C 66 46.800 47.163 -0.363 1
1 737 . 1 1 1 A 66 66 GLY N N 66 108.200 109.135 -0.935 1
1 738 . 1 1 1 A 67 67 ILE H H 67 8.570 8.550 0.020 1
1 739 . 1 1 1 A 67 67 ILE HA H 67 3.320 3.813 -0.493 1
1 749 . 1 1 1 A 67 67 ILE CA C 67 65.900 64.296 1.604 1
1 750 . 1 1 1 A 67 67 ILE CB C 67 38.400 37.431 0.969 1
1 754 . 1 1 1 A 67 67 ILE N N 67 123.500 122.356 1.144 1
1 755 . 1 1 1 A 68 68 GLU H H 68 7.030 7.591 -0.561 1
1 756 . 1 1 1 A 68 68 GLU HA H 68 3.960 4.012 -0.052 1
1 761 . 1 1 1 A 68 68 GLU CA C 68 58.700 59.410 -0.710 1
1 762 . 1 1 1 A 68 68 GLU CB C 68 28.500 29.329 -0.829 1
1 764 . 1 1 1 A 68 68 GLU N N 68 116.500 119.243 -2.743 1
1 765 . 1 1 1 A 69 69 VAL H H 69 7.440 7.734 -0.294 1
1 766 . 1 1 1 A 69 69 VAL HA H 69 3.740 3.863 -0.123 1
1 774 . 1 1 1 A 69 69 VAL CA C 69 65.700 64.375 1.325 1
1 775 . 1 1 1 A 69 69 VAL CB C 69 32.000 31.234 0.766 1
1 778 . 1 1 1 A 69 69 VAL N N 69 119.500 116.201 3.299 1
1 779 . 1 1 1 A 70 70 ALA H H 70 9.290 8.312 0.978 1
1 780 . 1 1 1 A 70 70 ALA HA H 70 3.820 4.027 -0.207 1
1 784 . 1 1 1 A 70 70 ALA CA C 70 54.400 55.665 -1.265 1
1 785 . 1 1 1 A 70 70 ALA CB C 70 18.000 18.345 -0.345 1
1 786 . 1 1 1 A 70 70 ALA N N 70 122.500 124.054 -1.554 1
1 787 . 1 1 1 A 71 71 ARG H H 71 8.280 7.863 0.417 1
1 788 . 1 1 1 A 71 71 ARG HA H 71 3.870 4.044 -0.174 1
1 796 . 1 1 1 A 71 71 ARG CA C 71 59.500 58.991 0.509 1
1 797 . 1 1 1 A 71 71 ARG CB C 71 30.000 30.035 -0.035 1
1 800 . 1 1 1 A 71 71 ARG N N 71 116.900 117.197 -0.297 1
1 802 . 1 1 1 A 72 72 GLU H H 72 7.390 7.734 -0.344 1
1 803 . 1 1 1 A 72 72 GLU HA H 72 4.300 4.159 0.141 1
1 808 . 1 1 1 A 72 72 GLU CA C 72 57.700 58.983 -1.283 1
1 809 . 1 1 1 A 72 72 GLU CB C 72 30.500 30.096 0.404 1
1 811 . 1 1 1 A 72 72 GLU N N 72 116.800 119.116 -2.316 1
1 812 . 1 1 1 A 73 73 GLU H H 73 8.490 8.360 0.130 1
1 813 . 1 1 1 A 73 73 GLU HA H 73 4.550 4.340 0.210 1
1 818 . 1 1 1 A 73 73 GLU CA C 73 55.900 57.895 -1.995 1
1 819 . 1 1 1 A 73 73 GLU CB C 73 30.800 30.224 0.576 1
1 821 . 1 1 1 A 73 73 GLU N N 73 115.000 117.551 -2.551 1
1 822 . 1 1 1 A 74 74 GLY H H 74 8.070 7.723 0.347 1
1 823 . 1 1 1 A 74 74 GLY HA2 H 74 4.450 4.073 0.377 1
1 824 . 1 1 1 A 74 74 GLY HA3 H 74 3.830 4.079 -0.249 1
1 825 . 1 1 1 A 74 74 GLY CA C 74 44.600 44.469 0.131 1
1 826 . 1 1 1 A 74 74 GLY N N 74 108.100 109.235 -1.135 1
1 827 . 1 1 1 A 75 75 THR H H 75 8.760 8.257 0.503 1
1 828 . 1 1 1 A 75 75 THR HA H 75 4.670 4.904 -0.234 1
1 833 . 1 1 1 A 75 75 THR CA C 75 59.000 60.364 -1.364 1
1 834 . 1 1 1 A 75 75 THR CB C 75 70.900 70.749 0.151 1
1 836 . 1 1 1 A 75 75 THR N N 75 111.400 115.898 -4.498 1
1 837 . 1 1 1 A 76 76 GLN H H 76 8.710 8.769 -0.059 1
1 838 . 1 1 1 A 76 76 GLN HA H 76 3.940 3.976 -0.036 1
1 845 . 1 1 1 A 76 76 GLN CA C 76 58.700 59.218 -0.518 1
1 846 . 1 1 1 A 76 76 GLN CB C 76 27.900 28.178 -0.278 1
1 848 . 1 1 1 A 76 76 GLN N N 76 123.100 125.694 -2.594 1
1 850 . 1 1 1 A 77 77 LYS H H 77 8.240 7.719 0.521 1
1 851 . 1 1 1 A 77 77 LYS HA H 77 4.000 4.019 -0.019 1
1 860 . 1 1 1 A 77 77 LYS CA C 77 59.200 59.668 -0.468 1
1 861 . 1 1 1 A 77 77 LYS CB C 77 31.900 32.369 -0.469 1
1 865 . 1 1 1 A 77 77 LYS N N 77 121.000 118.546 2.454 1
1 866 . 1 1 1 A 78 78 ASP H H 78 7.390 8.215 -0.825 1
1 867 . 1 1 1 A 78 78 ASP HA H 78 4.170 4.426 -0.256 1
1 870 . 1 1 1 A 78 78 ASP CA C 78 57.000 57.213 -0.213 1
1 871 . 1 1 1 A 78 78 ASP CB C 78 41.400 40.933 0.467 1
1 872 . 1 1 1 A 78 78 ASP N N 78 117.800 119.892 -2.092 1
1 873 . 1 1 1 A 79 79 LEU H H 79 7.690 7.953 -0.263 1
1 874 . 1 1 1 A 79 79 LEU HA H 79 3.770 4.069 -0.299 1
1 884 . 1 1 1 A 79 79 LEU CA C 79 58.100 58.326 -0.226 1
1 885 . 1 1 1 A 79 79 LEU CB C 79 42.100 41.420 0.680 1
1 889 . 1 1 1 A 79 79 LEU N N 79 118.400 122.746 -4.346 1
1 890 . 1 1 1 A 80 80 SER H H 80 8.400 8.313 0.087 1
1 891 . 1 1 1 A 80 80 SER HA H 80 4.170 4.052 0.118 1
1 894 . 1 1 1 A 80 80 SER CA C 80 61.500 61.596 -0.096 1
1 895 . 1 1 1 A 80 80 SER CB C 80 62.500 62.895 -0.395 1
1 896 . 1 1 1 A 80 80 SER N N 80 114.000 114.732 -0.732 1
1 897 . 1 1 1 A 81 81 GLU H H 81 7.930 7.686 0.244 1
1 898 . 1 1 1 A 81 81 GLU HA H 81 4.030 4.124 -0.094 1
1 903 . 1 1 1 A 81 81 GLU CA C 81 59.000 59.098 -0.098 1
1 904 . 1 1 1 A 81 81 GLU CB C 81 29.000 29.262 -0.262 1
1 906 . 1 1 1 A 81 81 GLU N N 81 121.000 121.731 -0.731 1
1 907 . 1 1 1 A 82 82 LEU H H 82 7.870 8.576 -0.706 1
1 908 . 1 1 1 A 82 82 LEU HA H 82 3.890 3.958 -0.068 1
1 918 . 1 1 1 A 82 82 LEU CA C 82 57.900 57.870 0.030 1
1 919 . 1 1 1 A 82 82 LEU CB C 82 43.900 41.360 2.540 1
1 923 . 1 1 1 A 82 82 LEU N N 82 120.900 120.491 0.409 1
1 924 . 1 1 1 A 83 83 GLN H H 83 8.520 8.419 0.101 1
1 925 . 1 1 1 A 83 83 GLN HA H 83 3.900 3.875 0.025 1
1 932 . 1 1 1 A 83 83 GLN CA C 83 59.200 59.018 0.182 1
1 933 . 1 1 1 A 83 83 GLN CB C 83 28.300 28.589 -0.289 1
1 935 . 1 1 1 A 83 83 GLN N N 83 118.300 118.504 -0.204 1
1 937 . 1 1 1 A 84 84 ASP H H 84 8.140 8.440 -0.300 1
1 938 . 1 1 1 A 84 84 ASP HA H 84 4.340 4.332 0.008 1
1 941 . 1 1 1 A 84 84 ASP CA C 84 57.100 57.663 -0.563 1
1 942 . 1 1 1 A 84 84 ASP CB C 84 41.000 41.763 -0.763 1
1 943 . 1 1 1 A 84 84 ASP N N 84 119.700 119.613 0.087 1
1 944 . 1 1 1 A 85 85 ALA H H 85 7.740 8.248 -0.508 1
1 945 . 1 1 1 A 85 85 ALA HA H 85 3.810 3.813 -0.003 1
1 949 . 1 1 1 A 85 85 ALA CA C 85 54.600 55.114 -0.514 1
1 950 . 1 1 1 A 85 85 ALA CB C 85 16.200 17.821 -1.621 1
1 951 . 1 1 1 A 85 85 ALA N N 85 121.600 121.328 0.272 1
1 952 . 1 1 1 A 86 86 LYS H H 86 8.070 7.605 0.465 1
1 953 . 1 1 1 A 86 86 LYS HA H 86 3.810 3.967 -0.157 1
1 962 . 1 1 1 A 86 86 LYS CA C 86 60.600 59.052 1.548 1
1 963 . 1 1 1 A 86 86 LYS CB C 86 33.300 31.730 1.570 1
1 967 . 1 1 1 A 86 86 LYS N N 86 120.200 116.477 3.723 1
1 968 . 1 1 1 A 87 87 LEU H H 87 7.780 7.783 -0.003 1
1 969 . 1 1 1 A 87 87 LEU HA H 87 4.160 3.939 0.221 1
1 979 . 1 1 1 A 87 87 LEU CA C 87 57.500 58.134 -0.634 1
1 980 . 1 1 1 A 87 87 LEU CB C 87 41.900 41.812 0.088 1
1 984 . 1 1 1 A 87 87 LEU N N 87 118.400 121.201 -2.801 1
1 985 . 1 1 1 A 88 88 LYS H H 88 7.900 8.212 -0.312 1
1 986 . 1 1 1 A 88 88 LYS HA H 88 3.960 4.011 -0.051 1
1 995 . 1 1 1 A 88 88 LYS CA C 88 59.200 58.902 0.298 1
1 996 . 1 1 1 A 88 88 LYS CB C 88 32.000 31.874 0.126 1
1 1000 . 1 1 1 A 88 88 LYS N N 88 118.700 117.388 1.312 1
1 1001 . 1 1 1 A 89 89 ALA H H 89 8.000 7.697 0.303 1
1 1002 . 1 1 1 A 89 89 ALA HA H 89 4.150 4.002 0.148 1
1 1006 . 1 1 1 A 89 89 ALA CA C 89 54.500 55.468 -0.968 1
1 1007 . 1 1 1 A 89 89 ALA CB C 89 17.800 18.262 -0.462 1
1 1008 . 1 1 1 A 89 89 ALA N N 89 122.400 122.153 0.247 1
1 1009 . 1 1 1 A 90 90 GLU H H 90 8.300 8.734 -0.434 1
1 1010 . 1 1 1 A 90 90 GLU HA H 90 3.930 4.219 -0.289 1
1 1015 . 1 1 1 A 90 90 GLU CA C 90 58.000 59.385 -1.385 1
1 1016 . 1 1 1 A 90 90 GLU CB C 90 29.700 29.479 0.221 1
1 1018 . 1 1 1 A 90 90 GLU N N 90 116.700 117.451 -0.751 1
1 1019 . 1 1 1 A 91 91 GLY H H 91 7.710 7.922 -0.212 1
1 1020 . 1 1 1 A 91 91 GLY HA2 H 91 4.070 3.806 0.264 1
1 1021 . 1 1 1 A 91 91 GLY HA3 H 91 3.870 3.806 0.064 1
1 1022 . 1 1 1 A 91 91 GLY CA C 91 45.500 45.825 -0.325 1
1 1023 . 1 1 1 A 91 91 GLY N N 91 106.000 109.598 -3.598 1
1 1024 . 1 1 1 A 92 92 LEU H H 92 7.640 7.828 -0.188 1
1 1025 . 1 1 1 A 92 92 LEU HA H 92 4.270 4.004 0.266 1
1 1035 . 1 1 1 A 92 92 LEU CA C 92 55.200 58.174 -2.974 1
1 1036 . 1 1 1 A 92 92 LEU CB C 92 42.100 41.869 0.231 1
1 1040 . 1 1 1 A 92 92 LEU N N 92 121.200 121.877 -0.677 1
1 1041 . 1 1 1 A 93 93 GLU H H 93 8.290 7.931 0.359 1
1 1042 . 1 1 1 A 93 93 GLU HA H 93 4.130 4.760 -0.630 1
1 1047 . 1 1 1 A 93 93 GLU CA C 93 56.700 55.397 1.303 1
1 1048 . 1 1 1 A 93 93 GLU CB C 93 29.700 31.876 -2.176 1
1 1050 . 1 1 1 A 93 93 GLU N N 93 120.200 114.898 5.302 1
1 1051 . 1 1 1 A 94 94 HIS H H 94 8.260 8.851 -0.591 1
1 1052 . 1 1 1 A 94 94 HIS HA H 94 4.560 4.644 -0.084 1
1 1055 . 1 1 1 A 94 94 HIS CA C 94 55.400 53.736 1.664 1
1 1056 . 1 1 1 A 94 94 HIS CB C 94 29.700 28.907 0.793 1
1 1057 . 1 1 1 A 94 94 HIS N N 94 118.900 123.523 -4.623 1
1 1058 . 1 1 1 A 95 95 HIS H H 95 8.170 7.799 0.371 1
1 1059 . 1 1 1 A 95 95 HIS HA H 95 4.410 4.250 0.160 1
1 1062 . 1 1 1 A 95 95 HIS CA C 95 57.000 55.907 1.093 1
1 1063 . 1 1 1 A 95 95 HIS CB C 95 30.000 30.292 -0.292 1
1 9 . 2 1 1 A 2 2 ASP H H 2 8.560 7.823 0.737 1
1 10 . 2 1 1 A 2 2 ASP HA H 2 4.850 5.004 -0.154 1
1 13 . 2 1 1 A 2 2 ASP CA C 2 52.200 51.568 0.632 1
1 14 . 2 1 1 A 2 2 ASP CB C 2 40.900 41.011 -0.111 1
1 15 . 2 1 1 A 2 2 ASP N N 2 123.000 120.317 2.683 1
1 16 . 2 1 1 A 3 3 PRO HA H 3 4.380 4.293 0.087 1
1 23 . 2 1 1 A 3 3 PRO CA C 3 63.500 64.265 -0.765 1
1 24 . 2 1 1 A 3 3 PRO CB C 3 32.100 31.905 0.195 1
1 27 . 2 1 1 A 4 4 GLU H H 4 8.410 8.540 -0.130 1
1 28 . 2 1 1 A 4 4 GLU HA H 4 4.250 4.086 0.164 1
1 33 . 2 1 1 A 4 4 GLU CA C 4 55.900 58.706 -2.806 1
1 34 . 2 1 1 A 4 4 GLU CB C 4 30.100 29.809 0.291 1
1 36 . 2 1 1 A 4 4 GLU N N 4 118.300 117.444 0.856 1
1 37 . 2 1 1 A 5 5 ASP H H 5 8.030 7.638 0.392 1
1 38 . 2 1 1 A 5 5 ASP HA H 5 4.730 4.738 -0.008 1
1 41 . 2 1 1 A 5 5 ASP CA C 5 52.600 52.450 0.150 1
1 42 . 2 1 1 A 5 5 ASP CB C 5 41.700 40.555 1.145 1
1 43 . 2 1 1 A 5 5 ASP N N 5 123.700 120.516 3.184 1
1 44 . 2 1 1 A 6 6 PRO HA H 6 3.940 4.258 -0.318 1
1 51 . 2 1 1 A 6 6 PRO CA C 6 64.900 64.804 0.096 1
1 52 . 2 1 1 A 6 6 PRO CB C 6 31.000 31.684 -0.684 1
1 55 . 2 1 1 A 7 7 PHE H H 7 8.130 7.632 0.498 1
1 56 . 2 1 1 A 7 7 PHE HA H 7 4.220 3.955 0.265 1
1 64 . 2 1 1 A 7 7 PHE CA C 7 60.800 61.410 -0.610 1
1 65 . 2 1 1 A 7 7 PHE CB C 7 38.300 39.325 -1.025 1
1 69 . 2 1 1 A 7 7 PHE N N 7 117.200 118.579 -1.379 1
1 70 . 2 1 1 A 8 8 THR H H 8 7.830 8.257 -0.427 1
1 71 . 2 1 1 A 8 8 THR HA H 8 3.710 3.831 -0.121 1
1 76 . 2 1 1 A 8 8 THR CA C 8 66.200 66.906 -0.706 1
1 77 . 2 1 1 A 8 8 THR CB C 8 68.300 68.726 -0.426 1
1 79 . 2 1 1 A 8 8 THR N N 8 115.700 115.663 0.037 1
1 80 . 2 1 1 A 9 9 ARG H H 9 7.300 8.257 -0.957 1
1 81 . 2 1 1 A 9 9 ARG HA H 9 3.840 4.005 -0.165 1
1 89 . 2 1 1 A 9 9 ARG CA C 9 59.700 58.684 1.016 1
1 90 . 2 1 1 A 9 9 ARG CB C 9 30.400 30.128 0.272 1
1 93 . 2 1 1 A 9 9 ARG N N 9 121.400 120.180 1.220 1
1 95 . 2 1 1 A 10 10 TYR H H 10 8.480 7.956 0.524 1
1 96 . 2 1 1 A 10 10 TYR HA H 10 3.800 4.086 -0.286 1
1 103 . 2 1 1 A 10 10 TYR CA C 10 61.400 61.405 -0.005 1
1 104 . 2 1 1 A 10 10 TYR CB C 10 38.300 38.599 -0.299 1
1 107 . 2 1 1 A 10 10 TYR N N 10 121.700 121.611 0.089 1
1 108 . 2 1 1 A 11 11 ALA H H 11 8.500 8.300 0.200 1
1 109 . 2 1 1 A 11 11 ALA HA H 11 3.700 3.737 -0.037 1
1 113 . 2 1 1 A 11 11 ALA CA C 11 54.400 54.990 -0.590 1
1 114 . 2 1 1 A 11 11 ALA CB C 11 17.300 17.577 -0.277 1
1 115 . 2 1 1 A 11 11 ALA N N 11 121.700 121.592 0.108 1
1 116 . 2 1 1 A 12 12 LEU H H 12 7.690 8.259 -0.569 1
1 117 . 2 1 1 A 12 12 LEU HA H 12 3.920 3.870 0.050 1
1 127 . 2 1 1 A 12 12 LEU CA C 12 57.100 57.830 -0.730 1
1 128 . 2 1 1 A 12 12 LEU CB C 12 41.500 41.486 0.014 1
1 132 . 2 1 1 A 12 12 LEU N N 12 120.900 118.549 2.351 1
1 133 . 2 1 1 A 13 13 ALA H H 13 8.010 8.119 -0.109 1
1 134 . 2 1 1 A 13 13 ALA HA H 13 3.500 3.875 -0.375 1
1 138 . 2 1 1 A 13 13 ALA CA C 13 55.400 55.429 -0.029 1
1 139 . 2 1 1 A 13 13 ALA CB C 13 17.400 17.419 -0.019 1
1 140 . 2 1 1 A 13 13 ALA N N 13 123.000 121.679 1.321 1
1 141 . 2 1 1 A 14 14 GLN H H 14 7.660 7.752 -0.092 1
1 142 . 2 1 1 A 14 14 GLN HA H 14 3.910 4.082 -0.172 1
1 149 . 2 1 1 A 14 14 GLN CA C 14 58.200 58.547 -0.347 1
1 150 . 2 1 1 A 14 14 GLN CB C 14 27.700 28.104 -0.404 1
1 152 . 2 1 1 A 14 14 GLN N N 14 114.000 116.776 -2.776 1
1 154 . 2 1 1 A 15 15 GLU H H 15 7.900 8.034 -0.134 1
1 155 . 2 1 1 A 15 15 GLU HA H 15 3.900 3.972 -0.072 1
1 160 . 2 1 1 A 15 15 GLU CA C 15 58.800 59.404 -0.604 1
1 161 . 2 1 1 A 15 15 GLU CB C 15 28.600 29.581 -0.981 1
1 163 . 2 1 1 A 15 15 GLU N N 15 122.400 121.293 1.107 1
1 164 . 2 1 1 A 16 16 HIS H H 16 8.220 7.820 0.400 1
1 165 . 2 1 1 A 16 16 HIS HA H 16 4.520 4.456 0.064 1
1 170 . 2 1 1 A 16 16 HIS CA C 16 59.700 59.118 0.582 1
1 171 . 2 1 1 A 16 16 HIS CB C 16 29.600 29.779 -0.179 1
1 174 . 2 1 1 A 16 16 HIS N N 16 119.100 119.070 0.030 1
1 175 . 2 1 1 A 17 17 LEU H H 17 8.090 8.191 -0.101 1
1 176 . 2 1 1 A 17 17 LEU HA H 17 3.870 3.850 0.020 1
1 186 . 2 1 1 A 17 17 LEU CA C 17 57.900 58.091 -0.191 1
1 187 . 2 1 1 A 17 17 LEU CB C 17 41.400 41.614 -0.214 1
1 191 . 2 1 1 A 17 17 LEU N N 17 120.500 119.972 0.528 1
1 192 . 2 1 1 A 18 18 LYS H H 18 7.960 8.178 -0.218 1
1 193 . 2 1 1 A 18 18 LYS HA H 18 4.030 4.051 -0.021 1
1 202 . 2 1 1 A 18 18 LYS CA C 18 58.400 58.408 -0.008 1
1 203 . 2 1 1 A 18 18 LYS CB C 18 31.800 32.213 -0.413 1
1 207 . 2 1 1 A 18 18 LYS N N 18 121.000 116.974 4.026 1
1 208 . 2 1 1 A 19 19 HIS H H 19 7.410 7.576 -0.166 1
1 209 . 2 1 1 A 19 19 HIS HA H 19 4.720 4.622 0.098 1
1 213 . 2 1 1 A 19 19 HIS CA C 19 54.700 55.732 -1.032 1
1 214 . 2 1 1 A 19 19 HIS CB C 19 28.500 29.719 -1.219 1
1 216 . 2 1 1 A 19 19 HIS N N 19 115.800 116.232 -0.432 1
1 217 . 2 1 1 A 20 20 ASP H H 20 8.010 8.150 -0.140 1
1 218 . 2 1 1 A 20 20 ASP HA H 20 4.370 4.323 0.047 1
1 221 . 2 1 1 A 20 20 ASP CA C 20 55.600 55.682 -0.082 1
1 222 . 2 1 1 A 20 20 ASP CB C 20 39.600 40.546 -0.946 1
1 223 . 2 1 1 A 20 20 ASP N N 20 115.900 117.632 -1.732 1
1 224 . 2 1 1 A 21 21 ASN H H 21 8.450 7.942 0.508 1
1 225 . 2 1 1 A 21 21 ASN HA H 21 5.130 4.969 0.161 1
1 230 . 2 1 1 A 21 21 ASN CA C 21 50.600 52.020 -1.420 1
1 231 . 2 1 1 A 21 21 ASN CB C 21 37.000 36.445 0.555 1
1 232 . 2 1 1 A 21 21 ASN N N 21 118.700 117.791 0.909 1
1 234 . 2 1 1 A 22 22 ALA H H 22 8.010 8.480 -0.470 1
1 235 . 2 1 1 A 22 22 ALA HA H 22 3.840 4.074 -0.234 1
1 239 . 2 1 1 A 22 22 ALA CA C 22 55.300 55.109 0.191 1
1 240 . 2 1 1 A 22 22 ALA CB C 22 18.300 18.326 -0.026 1
1 241 . 2 1 1 A 22 22 ALA N N 22 123.300 126.716 -3.416 1
1 242 . 2 1 1 A 23 23 SER H H 23 8.670 8.075 0.595 1
1 243 . 2 1 1 A 23 23 SER HA H 23 4.070 4.220 -0.150 1
1 246 . 2 1 1 A 23 23 SER CA C 23 61.800 60.473 1.327 1
1 247 . 2 1 1 A 23 23 SER CB C 23 61.900 62.941 -1.041 1
1 248 . 2 1 1 A 23 23 SER N N 23 112.500 113.480 -0.980 1
1 249 . 2 1 1 A 24 24 ARG H H 24 7.230 8.044 -0.814 1
1 250 . 2 1 1 A 24 24 ARG HA H 24 3.960 3.882 0.078 1
1 257 . 2 1 1 A 24 24 ARG CA C 24 57.000 59.572 -2.572 1
1 258 . 2 1 1 A 24 24 ARG CB C 24 29.100 29.835 -0.735 1
1 261 . 2 1 1 A 24 24 ARG N N 24 122.300 121.600 0.700 1
1 262 . 2 1 1 A 25 25 ALA H H 25 7.340 7.841 -0.501 1
1 263 . 2 1 1 A 25 25 ALA HA H 25 3.570 3.898 -0.328 1
1 267 . 2 1 1 A 25 25 ALA CA C 25 55.300 54.957 0.343 1
1 268 . 2 1 1 A 25 25 ALA CB C 25 18.700 18.380 0.320 1
1 269 . 2 1 1 A 25 25 ALA N N 25 120.200 122.122 -1.922 1
1 270 . 2 1 1 A 26 26 LEU H H 26 8.420 8.380 0.040 1
1 271 . 2 1 1 A 26 26 LEU HA H 26 3.800 4.199 -0.399 1
1 281 . 2 1 1 A 26 26 LEU CA C 26 58.300 57.928 0.372 1
1 282 . 2 1 1 A 26 26 LEU CB C 26 41.800 41.374 0.426 1
1 286 . 2 1 1 A 26 26 LEU N N 26 116.500 120.015 -3.515 1
1 287 . 2 1 1 A 27 27 ALA H H 27 7.190 8.256 -1.066 1
1 288 . 2 1 1 A 27 27 ALA HA H 27 4.120 4.014 0.106 1
1 292 . 2 1 1 A 27 27 ALA CA C 27 54.700 55.130 -0.430 1
1 293 . 2 1 1 A 27 27 ALA CB C 27 18.000 18.061 -0.061 1
1 294 . 2 1 1 A 27 27 ALA N N 27 118.200 120.591 -2.391 1
1 295 . 2 1 1 A 28 28 LEU H H 28 7.500 7.678 -0.178 1
1 296 . 2 1 1 A 28 28 LEU HA H 28 4.070 3.905 0.165 1
1 306 . 2 1 1 A 28 28 LEU CA C 28 57.600 57.838 -0.238 1
1 307 . 2 1 1 A 28 28 LEU CB C 28 43.100 42.007 1.093 1
1 311 . 2 1 1 A 28 28 LEU N N 28 118.300 118.183 0.117 1
1 312 . 2 1 1 A 29 29 PHE H H 29 8.690 8.230 0.460 1
1 313 . 2 1 1 A 29 29 PHE HA H 29 4.630 4.309 0.321 1
1 321 . 2 1 1 A 29 29 PHE CA C 29 58.700 60.638 -1.938 1
1 322 . 2 1 1 A 29 29 PHE CB C 29 40.300 38.236 2.064 1
1 326 . 2 1 1 A 29 29 PHE N N 29 119.000 118.004 0.996 1
1 327 . 2 1 1 A 30 30 GLU H H 30 8.990 8.412 0.578 1
1 328 . 2 1 1 A 30 30 GLU HA H 30 3.790 3.962 -0.172 1
1 333 . 2 1 1 A 30 30 GLU CA C 30 60.100 59.431 0.669 1
1 334 . 2 1 1 A 30 30 GLU CB C 30 29.100 29.051 0.049 1
1 336 . 2 1 1 A 30 30 GLU N N 30 117.400 118.566 -1.166 1
1 337 . 2 1 1 A 31 31 GLU H H 31 7.830 7.967 -0.137 1
1 338 . 2 1 1 A 31 31 GLU HA H 31 4.160 4.071 0.089 1
1 343 . 2 1 1 A 31 31 GLU CA C 31 58.800 59.042 -0.242 1
1 344 . 2 1 1 A 31 31 GLU CB C 31 29.900 29.545 0.355 1
1 346 . 2 1 1 A 31 31 GLU N N 31 119.500 119.771 -0.271 1
1 347 . 2 1 1 A 32 32 LEU H H 32 7.920 8.410 -0.490 1
1 348 . 2 1 1 A 32 32 LEU HA H 32 4.130 4.162 -0.032 1
1 358 . 2 1 1 A 32 32 LEU CA C 32 58.200 58.292 -0.092 1
1 359 . 2 1 1 A 32 32 LEU CB C 32 43.000 41.823 1.177 1
1 363 . 2 1 1 A 32 32 LEU N N 32 122.000 119.892 2.108 1
1 364 . 2 1 1 A 33 33 VAL H H 33 7.460 7.908 -0.448 1
1 365 . 2 1 1 A 33 33 VAL HA H 33 3.590 3.193 0.397 1
1 373 . 2 1 1 A 33 33 VAL CA C 33 65.800 66.922 -1.122 1
1 374 . 2 1 1 A 33 33 VAL CB C 33 31.500 31.299 0.201 1
1 377 . 2 1 1 A 33 33 VAL N N 33 116.000 118.613 -2.613 1
1 378 . 2 1 1 A 34 34 GLU H H 34 7.210 7.758 -0.548 1
1 379 . 2 1 1 A 34 34 GLU HA H 34 4.130 4.178 -0.048 1
1 384 . 2 1 1 A 34 34 GLU CA C 34 58.500 59.166 -0.666 1
1 385 . 2 1 1 A 34 34 GLU CB C 34 29.900 29.316 0.584 1
1 387 . 2 1 1 A 34 34 GLU N N 34 117.400 119.663 -2.263 1
1 388 . 2 1 1 A 35 35 THR H H 35 9.100 7.821 1.279 1
1 389 . 2 1 1 A 35 35 THR HA H 35 4.180 4.216 -0.036 1
1 394 . 2 1 1 A 35 35 THR CA C 35 63.900 64.869 -0.969 1
1 395 . 2 1 1 A 35 35 THR CB C 35 69.300 68.931 0.369 1
1 397 . 2 1 1 A 35 35 THR N N 35 109.900 111.026 -1.126 1
1 398 . 2 1 1 A 36 36 ASP H H 36 8.630 8.037 0.593 1
1 399 . 2 1 1 A 36 36 ASP HA H 36 5.300 5.140 0.160 1
1 402 . 2 1 1 A 36 36 ASP CA C 36 52.700 51.506 1.194 1
1 403 . 2 1 1 A 36 36 ASP CB C 36 42.400 41.513 0.887 1
1 404 . 2 1 1 A 36 36 ASP N N 36 122.800 120.416 2.384 1
1 405 . 2 1 1 A 37 37 PRO HA H 37 4.560 4.952 -0.392 1
1 412 . 2 1 1 A 37 37 PRO CA C 37 64.400 64.438 -0.038 1
1 413 . 2 1 1 A 37 37 PRO CB C 37 31.100 31.951 -0.851 1
1 416 . 2 1 1 A 38 38 ASP H H 38 8.630 8.643 -0.013 1
1 417 . 2 1 1 A 38 38 ASP HA H 38 4.570 4.682 -0.112 1
1 420 . 2 1 1 A 38 38 ASP CA C 38 53.800 54.846 -1.046 1
1 421 . 2 1 1 A 38 38 ASP CB C 38 39.500 40.011 -0.511 1
1 422 . 2 1 1 A 38 38 ASP N N 38 113.700 115.779 -2.079 1
1 423 . 2 1 1 A 39 39 TYR H H 39 8.110 7.668 0.442 1
1 424 . 2 1 1 A 39 39 TYR HA H 39 4.540 4.890 -0.350 1
1 431 . 2 1 1 A 39 39 TYR CA C 39 58.500 56.208 2.292 1
1 432 . 2 1 1 A 39 39 TYR CB C 39 36.500 38.547 -2.047 1
1 435 . 2 1 1 A 39 39 TYR N N 39 123.700 121.936 1.764 1
1 436 . 2 1 1 A 40 40 VAL H H 40 7.880 8.275 -0.395 1
1 437 . 2 1 1 A 40 40 VAL HA H 40 3.770 3.950 -0.180 1
1 445 . 2 1 1 A 40 40 VAL CA C 40 65.000 66.438 -1.438 1
1 446 . 2 1 1 A 40 40 VAL CB C 40 32.500 31.506 0.994 1
1 449 . 2 1 1 A 40 40 VAL N N 40 128.100 125.801 2.299 1
1 450 . 2 1 1 A 41 41 GLY H H 41 7.530 7.933 -0.403 1
1 451 . 2 1 1 A 41 41 GLY HA2 H 41 3.410 3.497 -0.087 1
1 452 . 2 1 1 A 41 41 GLY HA3 H 41 3.880 3.921 -0.041 1
1 453 . 2 1 1 A 41 41 GLY CA C 41 46.400 47.008 -0.608 1
1 454 . 2 1 1 A 41 41 GLY N N 41 105.900 108.263 -2.363 1
1 455 . 2 1 1 A 42 42 THR H H 42 7.150 7.499 -0.349 1
1 456 . 2 1 1 A 42 42 THR HA H 42 3.580 4.465 -0.885 1
1 462 . 2 1 1 A 42 42 THR CA C 42 65.600 67.075 -1.475 1
1 463 . 2 1 1 A 42 42 THR CB C 42 68.900 68.659 0.241 1
1 465 . 2 1 1 A 42 42 THR N N 42 111.900 118.278 -6.378 1
1 466 . 2 1 1 A 43 43 TYR H H 43 7.040 8.275 -1.235 1
1 467 . 2 1 1 A 43 43 TYR HA H 43 3.460 4.346 -0.886 1
1 474 . 2 1 1 A 43 43 TYR CA C 43 64.100 60.553 3.547 1
1 475 . 2 1 1 A 43 43 TYR CB C 43 38.300 38.445 -0.145 1
1 478 . 2 1 1 A 43 43 TYR N N 43 113.500 120.794 -7.294 1
1 479 . 2 1 1 A 44 44 TYR H H 44 9.770 8.165 1.605 1
1 480 . 2 1 1 A 44 44 TYR HA H 44 3.990 4.464 -0.474 1
1 487 . 2 1 1 A 44 44 TYR CA C 44 61.900 62.133 -0.233 1
1 488 . 2 1 1 A 44 44 TYR CB C 44 38.800 38.813 -0.013 1
1 491 . 2 1 1 A 44 44 TYR N N 44 119.800 120.578 -0.778 1
1 492 . 2 1 1 A 45 45 HIS H H 45 6.380 8.234 -1.854 1
1 493 . 2 1 1 A 45 45 HIS HA H 45 3.770 4.232 -0.462 1
1 498 . 2 1 1 A 45 45 HIS CA C 45 58.500 59.505 -1.005 1
1 499 . 2 1 1 A 45 45 HIS CB C 45 31.600 30.709 0.891 1
1 502 . 2 1 1 A 45 45 HIS N N 45 114.500 117.561 -3.061 1
1 503 . 2 1 1 A 46 46 LEU H H 46 8.360 8.520 -0.160 1
1 504 . 2 1 1 A 46 46 LEU HA H 46 3.660 3.283 0.377 1
1 514 . 2 1 1 A 46 46 LEU CA C 46 57.100 57.630 -0.530 1
1 515 . 2 1 1 A 46 46 LEU CB C 46 40.800 41.741 -0.941 1
1 519 . 2 1 1 A 46 46 LEU N N 46 121.100 120.594 0.506 1
1 520 . 2 1 1 A 47 47 GLY H H 47 8.440 8.056 0.384 1
1 521 . 2 1 1 A 47 47 GLY HA2 H 47 3.350 3.299 0.051 1
1 522 . 2 1 1 A 47 47 GLY HA3 H 47 3.530 3.665 -0.135 1
1 523 . 2 1 1 A 47 47 GLY CA C 47 47.200 46.951 0.249 1
1 524 . 2 1 1 A 47 47 GLY N N 47 106.500 106.411 0.089 1
1 525 . 2 1 1 A 48 48 LYS H H 48 7.970 7.625 0.345 1
1 526 . 2 1 1 A 48 48 LYS HA H 48 3.800 4.044 -0.244 1
1 535 . 2 1 1 A 48 48 LYS CA C 48 58.200 59.327 -1.127 1
1 536 . 2 1 1 A 48 48 LYS CB C 48 31.600 32.252 -0.652 1
1 540 . 2 1 1 A 48 48 LYS N N 48 120.500 121.858 -1.358 1
1 541 . 2 1 1 A 49 49 LEU H H 49 7.800 7.566 0.234 1
1 542 . 2 1 1 A 49 49 LEU HA H 49 4.170 3.854 0.316 1
1 552 . 2 1 1 A 49 49 LEU CA C 49 57.500 57.473 0.027 1
1 553 . 2 1 1 A 49 49 LEU CB C 49 41.000 41.358 -0.358 1
1 557 . 2 1 1 A 49 49 LEU N N 49 124.000 120.634 3.366 1
1 558 . 2 1 1 A 50 50 TYR H H 50 8.610 7.934 0.676 1
1 559 . 2 1 1 A 50 50 TYR HA H 50 4.420 4.204 0.216 1
1 566 . 2 1 1 A 50 50 TYR CA C 50 59.600 60.652 -1.052 1
1 567 . 2 1 1 A 50 50 TYR CB C 50 35.600 37.627 -2.027 1
1 570 . 2 1 1 A 50 50 TYR N N 50 119.000 118.290 0.710 1
1 571 . 2 1 1 A 51 51 GLU H H 51 8.410 8.561 -0.151 1
1 572 . 2 1 1 A 51 51 GLU HA H 51 3.760 3.913 -0.153 1
1 577 . 2 1 1 A 51 51 GLU CA C 51 61.600 60.038 1.562 1
1 578 . 2 1 1 A 51 51 GLU CB C 51 29.800 29.321 0.479 1
1 580 . 2 1 1 A 51 51 GLU N N 51 118.600 118.752 -0.152 1
1 581 . 2 1 1 A 52 52 ARG H H 52 7.910 7.868 0.042 1
1 582 . 2 1 1 A 52 52 ARG HA H 52 4.150 4.082 0.068 1
1 589 . 2 1 1 A 52 52 ARG CA C 52 58.600 58.767 -0.167 1
1 590 . 2 1 1 A 52 52 ARG CB C 52 29.600 30.019 -0.419 1
1 593 . 2 1 1 A 52 52 ARG N N 52 122.200 120.333 1.867 1
1 594 . 2 1 1 A 53 53 LEU H H 53 7.740 7.776 -0.036 1
1 595 . 2 1 1 A 53 53 LEU HA H 53 4.400 4.379 0.021 1
1 605 . 2 1 1 A 53 53 LEU CA C 53 54.100 54.803 -0.703 1
1 606 . 2 1 1 A 53 53 LEU CB C 53 41.400 42.023 -0.623 1
1 610 . 2 1 1 A 53 53 LEU N N 53 119.400 117.926 1.474 1
1 611 . 2 1 1 A 54 54 ASP H H 54 8.090 8.196 -0.106 1
1 612 . 2 1 1 A 54 54 ASP HA H 54 4.410 4.237 0.173 1
1 615 . 2 1 1 A 54 54 ASP CA C 54 55.500 55.566 -0.066 1
1 616 . 2 1 1 A 54 54 ASP CB C 54 38.900 40.667 -1.767 1
1 617 . 2 1 1 A 54 54 ASP N N 54 116.300 118.273 -1.973 1
1 618 . 2 1 1 A 55 55 ARG H H 55 8.420 8.402 0.018 1
1 619 . 2 1 1 A 55 55 ARG HA H 55 4.680 4.586 0.094 1
1 627 . 2 1 1 A 55 55 ARG CA C 55 54.000 54.656 -0.656 1
1 628 . 2 1 1 A 55 55 ARG CB C 55 29.800 28.205 1.595 1
1 631 . 2 1 1 A 55 55 ARG N N 55 120.800 119.567 1.233 1
1 633 . 2 1 1 A 56 56 THR H H 56 7.870 7.681 0.189 1
1 634 . 2 1 1 A 56 56 THR HA H 56 3.510 3.773 -0.263 1
1 639 . 2 1 1 A 56 56 THR CA C 56 67.500 67.059 0.441 1
1 640 . 2 1 1 A 56 56 THR CB C 56 68.000 68.287 -0.287 1
1 642 . 2 1 1 A 56 56 THR N N 56 117.300 115.936 1.364 1
1 643 . 2 1 1 A 57 57 ASP H H 57 8.450 8.314 0.136 1
1 644 . 2 1 1 A 57 57 ASP HA H 57 4.260 4.329 -0.069 1
1 647 . 2 1 1 A 57 57 ASP CA C 57 57.900 57.515 0.385 1
1 648 . 2 1 1 A 57 57 ASP CB C 57 39.100 40.451 -1.351 1
1 649 . 2 1 1 A 57 57 ASP N N 57 120.300 119.825 0.475 1
1 650 . 2 1 1 A 58 58 ASP H H 58 7.540 8.122 -0.582 1
1 651 . 2 1 1 A 58 58 ASP HA H 58 4.170 4.108 0.062 1
1 654 . 2 1 1 A 58 58 ASP CA C 58 56.900 56.804 0.096 1
1 655 . 2 1 1 A 58 58 ASP CB C 58 38.400 39.502 -1.102 1
1 656 . 2 1 1 A 58 58 ASP N N 58 120.200 119.682 0.518 1
1 657 . 2 1 1 A 59 59 ALA H H 59 8.110 7.683 0.427 1
1 658 . 2 1 1 A 59 59 ALA HA H 59 3.760 3.951 -0.191 1
1 662 . 2 1 1 A 59 59 ALA CA C 59 56.000 54.943 1.057 1
1 663 . 2 1 1 A 59 59 ALA CB C 59 19.200 18.584 0.616 1
1 664 . 2 1 1 A 59 59 ALA N N 59 124.700 121.949 2.751 1
1 665 . 2 1 1 A 60 60 ILE H H 60 8.230 8.247 -0.017 1
1 666 . 2 1 1 A 60 60 ILE HA H 60 3.520 3.888 -0.368 1
1 676 . 2 1 1 A 60 60 ILE CA C 60 66.800 64.938 1.862 1
1 677 . 2 1 1 A 60 60 ILE CB C 60 38.400 37.730 0.670 1
1 681 . 2 1 1 A 60 60 ILE N N 60 117.600 117.915 -0.315 1
1 682 . 2 1 1 A 61 61 ASP H H 61 7.750 8.197 -0.447 1
1 683 . 2 1 1 A 61 61 ASP HA H 61 4.440 4.300 0.140 1
1 686 . 2 1 1 A 61 61 ASP CA C 61 57.100 57.442 -0.342 1
1 687 . 2 1 1 A 61 61 ASP CB C 61 40.500 41.248 -0.748 1
1 688 . 2 1 1 A 61 61 ASP N N 61 118.300 120.318 -2.018 1
1 689 . 2 1 1 A 62 62 THR H H 62 8.040 8.225 -0.185 1
1 690 . 2 1 1 A 62 62 THR HA H 62 4.070 4.014 0.056 1
1 695 . 2 1 1 A 62 62 THR CA C 62 68.000 66.518 1.482 1
1 696 . 2 1 1 A 62 62 THR CB C 62 68.600 68.702 -0.102 1
1 698 . 2 1 1 A 62 62 THR N N 62 119.800 115.257 4.543 1
1 699 . 2 1 1 A 63 63 TYR H H 63 8.970 7.990 0.980 1
1 700 . 2 1 1 A 63 63 TYR HA H 63 4.480 4.474 0.006 1
1 707 . 2 1 1 A 63 63 TYR CA C 63 59.200 60.656 -1.456 1
1 708 . 2 1 1 A 63 63 TYR CB C 63 37.700 37.410 0.290 1
1 711 . 2 1 1 A 63 63 TYR N N 63 121.700 120.669 1.031 1
1 712 . 2 1 1 A 64 64 ALA H H 64 8.690 8.485 0.205 1
1 713 . 2 1 1 A 64 64 ALA HA H 64 4.000 4.054 -0.054 1
1 717 . 2 1 1 A 64 64 ALA CA C 64 55.500 55.423 0.077 1
1 718 . 2 1 1 A 64 64 ALA CB C 64 17.800 18.014 -0.214 1
1 719 . 2 1 1 A 64 64 ALA N N 64 119.400 122.638 -3.238 1
1 720 . 2 1 1 A 65 65 GLN H H 65 8.100 8.287 -0.187 1
1 721 . 2 1 1 A 65 65 GLN HA H 65 4.010 3.934 0.076 1
1 728 . 2 1 1 A 65 65 GLN CA C 65 58.600 59.150 -0.550 1
1 729 . 2 1 1 A 65 65 GLN CB C 65 28.500 27.930 0.570 1
1 731 . 2 1 1 A 65 65 GLN N N 65 119.600 118.236 1.364 1
1 733 . 2 1 1 A 66 66 GLY H H 66 8.430 8.334 0.096 1
1 734 . 2 1 1 A 66 66 GLY HA2 H 66 3.080 3.025 0.055 1
1 735 . 2 1 1 A 66 66 GLY HA3 H 66 2.520 3.502 -0.982 1
1 736 . 2 1 1 A 66 66 GLY CA C 66 46.800 47.119 -0.319 1
1 737 . 2 1 1 A 66 66 GLY N N 66 108.200 106.483 1.717 1
1 738 . 2 1 1 A 67 67 ILE H H 67 8.570 8.471 0.099 1
1 739 . 2 1 1 A 67 67 ILE HA H 67 3.320 3.793 -0.473 1
1 749 . 2 1 1 A 67 67 ILE CA C 67 65.900 64.310 1.590 1
1 750 . 2 1 1 A 67 67 ILE CB C 67 38.400 37.727 0.673 1
1 754 . 2 1 1 A 67 67 ILE N N 67 123.500 122.419 1.081 1
1 755 . 2 1 1 A 68 68 GLU H H 68 7.030 7.875 -0.845 1
1 756 . 2 1 1 A 68 68 GLU HA H 68 3.960 4.040 -0.080 1
1 761 . 2 1 1 A 68 68 GLU CA C 68 58.700 59.329 -0.629 1
1 762 . 2 1 1 A 68 68 GLU CB C 68 28.500 29.327 -0.827 1
1 764 . 2 1 1 A 68 68 GLU N N 68 116.500 119.580 -3.080 1
1 765 . 2 1 1 A 69 69 VAL H H 69 7.440 7.393 0.047 1
1 766 . 2 1 1 A 69 69 VAL HA H 69 3.740 3.872 -0.132 1
1 774 . 2 1 1 A 69 69 VAL CA C 69 65.700 64.578 1.122 1
1 775 . 2 1 1 A 69 69 VAL CB C 69 32.000 31.221 0.779 1
1 778 . 2 1 1 A 69 69 VAL N N 69 119.500 116.123 3.377 1
1 779 . 2 1 1 A 70 70 ALA H H 70 9.290 8.437 0.853 1
1 780 . 2 1 1 A 70 70 ALA HA H 70 3.820 3.982 -0.162 1
1 784 . 2 1 1 A 70 70 ALA CA C 70 54.400 55.724 -1.324 1
1 785 . 2 1 1 A 70 70 ALA CB C 70 18.000 18.312 -0.312 1
1 786 . 2 1 1 A 70 70 ALA N N 70 122.500 124.044 -1.544 1
1 787 . 2 1 1 A 71 71 ARG H H 71 8.280 7.622 0.658 1
1 788 . 2 1 1 A 71 71 ARG HA H 71 3.870 4.077 -0.207 1
1 796 . 2 1 1 A 71 71 ARG CA C 71 59.500 58.964 0.536 1
1 797 . 2 1 1 A 71 71 ARG CB C 71 30.000 29.863 0.137 1
1 800 . 2 1 1 A 71 71 ARG N N 71 116.900 116.743 0.157 1
1 802 . 2 1 1 A 72 72 GLU H H 72 7.390 7.930 -0.540 1
1 803 . 2 1 1 A 72 72 GLU HA H 72 4.300 4.152 0.148 1
1 808 . 2 1 1 A 72 72 GLU CA C 72 57.700 59.059 -1.359 1
1 809 . 2 1 1 A 72 72 GLU CB C 72 30.500 29.795 0.705 1
1 811 . 2 1 1 A 72 72 GLU N N 72 116.800 119.095 -2.295 1
1 812 . 2 1 1 A 73 73 GLU H H 73 8.490 8.138 0.352 1
1 813 . 2 1 1 A 73 73 GLU HA H 73 4.550 4.331 0.219 1
1 818 . 2 1 1 A 73 73 GLU CA C 73 55.900 58.674 -2.774 1
1 819 . 2 1 1 A 73 73 GLU CB C 73 30.800 30.378 0.422 1
1 821 . 2 1 1 A 73 73 GLU N N 73 115.000 118.717 -3.717 1
1 822 . 2 1 1 A 74 74 GLY H H 74 8.070 7.698 0.372 1
1 823 . 2 1 1 A 74 74 GLY HA2 H 74 4.450 3.818 0.632 1
1 824 . 2 1 1 A 74 74 GLY HA3 H 74 3.830 3.827 0.003 1
1 825 . 2 1 1 A 74 74 GLY CA C 74 44.600 45.721 -1.121 1
1 826 . 2 1 1 A 74 74 GLY N N 74 108.100 108.984 -0.884 1
1 827 . 2 1 1 A 75 75 THR H H 75 8.760 7.599 1.161 1
1 828 . 2 1 1 A 75 75 THR HA H 75 4.670 4.549 0.121 1
1 833 . 2 1 1 A 75 75 THR CA C 75 59.000 60.625 -1.625 1
1 834 . 2 1 1 A 75 75 THR CB C 75 70.900 69.555 1.345 1
1 836 . 2 1 1 A 75 75 THR N N 75 111.400 113.322 -1.922 1
1 837 . 2 1 1 A 76 76 GLN H H 76 8.710 8.776 -0.066 1
1 838 . 2 1 1 A 76 76 GLN HA H 76 3.940 3.985 -0.045 1
1 845 . 2 1 1 A 76 76 GLN CA C 76 58.700 59.303 -0.603 1
1 846 . 2 1 1 A 76 76 GLN CB C 76 27.900 28.403 -0.503 1
1 848 . 2 1 1 A 76 76 GLN N N 76 123.100 125.214 -2.114 1
1 850 . 2 1 1 A 77 77 LYS H H 77 8.240 7.981 0.259 1
1 851 . 2 1 1 A 77 77 LYS HA H 77 4.000 3.965 0.035 1
1 860 . 2 1 1 A 77 77 LYS CA C 77 59.200 59.651 -0.451 1
1 861 . 2 1 1 A 77 77 LYS CB C 77 31.900 32.315 -0.415 1
1 865 . 2 1 1 A 77 77 LYS N N 77 121.000 119.464 1.536 1
1 866 . 2 1 1 A 78 78 ASP H H 78 7.390 8.123 -0.733 1
1 867 . 2 1 1 A 78 78 ASP HA H 78 4.170 4.630 -0.460 1
1 870 . 2 1 1 A 78 78 ASP CA C 78 57.000 57.264 -0.264 1
1 871 . 2 1 1 A 78 78 ASP CB C 78 41.400 40.316 1.084 1
1 872 . 2 1 1 A 78 78 ASP N N 78 117.800 119.862 -2.062 1
1 873 . 2 1 1 A 79 79 LEU H H 79 7.690 7.903 -0.213 1
1 874 . 2 1 1 A 79 79 LEU HA H 79 3.770 4.092 -0.322 1
1 884 . 2 1 1 A 79 79 LEU CA C 79 58.100 58.077 0.023 1
1 885 . 2 1 1 A 79 79 LEU CB C 79 42.100 41.404 0.696 1
1 889 . 2 1 1 A 79 79 LEU N N 79 118.400 122.566 -4.166 1
1 890 . 2 1 1 A 80 80 SER H H 80 8.400 8.334 0.066 1
1 891 . 2 1 1 A 80 80 SER HA H 80 4.170 4.068 0.102 1
1 894 . 2 1 1 A 80 80 SER CA C 80 61.500 61.437 0.063 1
1 895 . 2 1 1 A 80 80 SER CB C 80 62.500 62.834 -0.334 1
1 896 . 2 1 1 A 80 80 SER N N 80 114.000 114.708 -0.708 1
1 897 . 2 1 1 A 81 81 GLU H H 81 7.930 7.655 0.275 1
1 898 . 2 1 1 A 81 81 GLU HA H 81 4.030 3.989 0.041 1
1 903 . 2 1 1 A 81 81 GLU CA C 81 59.000 58.869 0.131 1
1 904 . 2 1 1 A 81 81 GLU CB C 81 29.000 29.006 -0.006 1
1 906 . 2 1 1 A 81 81 GLU N N 81 121.000 122.225 -1.225 1
1 907 . 2 1 1 A 82 82 LEU H H 82 7.870 8.113 -0.243 1
1 908 . 2 1 1 A 82 82 LEU HA H 82 3.890 4.047 -0.157 1
1 918 . 2 1 1 A 82 82 LEU CA C 82 57.900 57.654 0.246 1
1 919 . 2 1 1 A 82 82 LEU CB C 82 43.900 41.294 2.606 1
1 923 . 2 1 1 A 82 82 LEU N N 82 120.900 120.421 0.479 1
1 924 . 2 1 1 A 83 83 GLN H H 83 8.520 8.503 0.017 1
1 925 . 2 1 1 A 83 83 GLN HA H 83 3.900 3.897 0.003 1
1 932 . 2 1 1 A 83 83 GLN CA C 83 59.200 59.010 0.190 1
1 933 . 2 1 1 A 83 83 GLN CB C 83 28.300 28.607 -0.307 1
1 935 . 2 1 1 A 83 83 GLN N N 83 118.300 118.740 -0.440 1
1 937 . 2 1 1 A 84 84 ASP H H 84 8.140 8.462 -0.322 1
1 938 . 2 1 1 A 84 84 ASP HA H 84 4.340 4.310 0.030 1
1 941 . 2 1 1 A 84 84 ASP CA C 84 57.100 57.798 -0.698 1
1 942 . 2 1 1 A 84 84 ASP CB C 84 41.000 41.962 -0.962 1
1 943 . 2 1 1 A 84 84 ASP N N 84 119.700 119.492 0.208 1
1 944 . 2 1 1 A 85 85 ALA H H 85 7.740 8.220 -0.480 1
1 945 . 2 1 1 A 85 85 ALA HA H 85 3.810 3.887 -0.077 1
1 949 . 2 1 1 A 85 85 ALA CA C 85 54.600 55.256 -0.656 1
1 950 . 2 1 1 A 85 85 ALA CB C 85 16.200 17.821 -1.621 1
1 951 . 2 1 1 A 85 85 ALA N N 85 121.600 121.540 0.060 1
1 952 . 2 1 1 A 86 86 LYS H H 86 8.070 7.737 0.333 1
1 953 . 2 1 1 A 86 86 LYS HA H 86 3.810 4.156 -0.346 1
1 962 . 2 1 1 A 86 86 LYS CA C 86 60.600 59.125 1.475 1
1 963 . 2 1 1 A 86 86 LYS CB C 86 33.300 31.778 1.522 1
1 967 . 2 1 1 A 86 86 LYS N N 86 120.200 116.472 3.728 1
1 968 . 2 1 1 A 87 87 LEU H H 87 7.780 8.037 -0.257 1
1 969 . 2 1 1 A 87 87 LEU HA H 87 4.160 4.017 0.143 1
1 979 . 2 1 1 A 87 87 LEU CA C 87 57.500 58.082 -0.582 1
1 980 . 2 1 1 A 87 87 LEU CB C 87 41.900 41.677 0.223 1
1 984 . 2 1 1 A 87 87 LEU N N 87 118.400 121.164 -2.764 1
1 985 . 2 1 1 A 88 88 LYS H H 88 7.900 8.142 -0.242 1
1 986 . 2 1 1 A 88 88 LYS HA H 88 3.960 4.027 -0.067 1
1 995 . 2 1 1 A 88 88 LYS CA C 88 59.200 59.048 0.152 1
1 996 . 2 1 1 A 88 88 LYS CB C 88 32.000 31.746 0.254 1
1 1000 . 2 1 1 A 88 88 LYS N N 88 118.700 117.688 1.012 1
1 1001 . 2 1 1 A 89 89 ALA H H 89 8.000 8.117 -0.117 1
1 1002 . 2 1 1 A 89 89 ALA HA H 89 4.150 4.068 0.082 1
1 1006 . 2 1 1 A 89 89 ALA CA C 89 54.500 54.998 -0.498 1
1 1007 . 2 1 1 A 89 89 ALA CB C 89 17.800 18.623 -0.823 1
1 1008 . 2 1 1 A 89 89 ALA N N 89 122.400 121.843 0.557 1
1 1009 . 2 1 1 A 90 90 GLU H H 90 8.300 8.254 0.046 1
1 1010 . 2 1 1 A 90 90 GLU HA H 90 3.930 4.274 -0.344 1
1 1015 . 2 1 1 A 90 90 GLU CA C 90 58.000 59.210 -1.210 1
1 1016 . 2 1 1 A 90 90 GLU CB C 90 29.700 29.539 0.161 1
1 1018 . 2 1 1 A 90 90 GLU N N 90 116.700 117.776 -1.076 1
1 1019 . 2 1 1 A 91 91 GLY H H 91 7.710 7.847 -0.137 1
1 1020 . 2 1 1 A 91 91 GLY HA2 H 91 4.070 3.978 0.092 1
1 1021 . 2 1 1 A 91 91 GLY HA3 H 91 3.870 4.011 -0.141 1
1 1022 . 2 1 1 A 91 91 GLY CA C 91 45.500 45.167 0.333 1
1 1023 . 2 1 1 A 91 91 GLY N N 91 106.000 107.906 -1.906 1
1 1024 . 2 1 1 A 92 92 LEU H H 92 7.640 7.577 0.063 1
1 1025 . 2 1 1 A 92 92 LEU HA H 92 4.270 3.912 0.358 1
1 1035 . 2 1 1 A 92 92 LEU CA C 92 55.200 57.822 -2.622 1
1 1036 . 2 1 1 A 92 92 LEU CB C 92 42.100 41.790 0.310 1
1 1040 . 2 1 1 A 92 92 LEU N N 92 121.200 120.938 0.262 1
1 1041 . 2 1 1 A 93 93 GLU H H 93 8.290 7.508 0.782 1
1 1042 . 2 1 1 A 93 93 GLU HA H 93 4.130 4.333 -0.203 1
1 1047 . 2 1 1 A 93 93 GLU CA C 93 56.700 54.377 2.323 1
1 1048 . 2 1 1 A 93 93 GLU CB C 93 29.700 30.938 -1.238 1
1 1050 . 2 1 1 A 93 93 GLU N N 93 120.200 114.371 5.829 1
1 1051 . 2 1 1 A 94 94 HIS H H 94 8.260 8.271 -0.011 1
1 1052 . 2 1 1 A 94 94 HIS HA H 94 4.560 5.065 -0.505 1
1 1055 . 2 1 1 A 94 94 HIS CA C 94 55.400 54.794 0.606 1
1 1056 . 2 1 1 A 94 94 HIS CB C 94 29.700 29.147 0.553 1
1 1057 . 2 1 1 A 94 94 HIS N N 94 118.900 116.099 2.801 1
1 1058 . 2 1 1 A 95 95 HIS H H 95 8.170 7.720 0.450 1
1 1059 . 2 1 1 A 95 95 HIS HA H 95 4.410 4.396 0.014 1
1 1062 . 2 1 1 A 95 95 HIS CA C 95 57.000 57.943 -0.943 1
1 1063 . 2 1 1 A 95 95 HIS CB C 95 30.000 28.656 1.344 1
1 9 . 3 1 1 A 2 2 ASP H H 2 8.560 7.847 0.713 1
1 10 . 3 1 1 A 2 2 ASP HA H 2 4.850 5.009 -0.159 1
1 13 . 3 1 1 A 2 2 ASP CA C 2 52.200 51.924 0.276 1
1 14 . 3 1 1 A 2 2 ASP CB C 2 40.900 40.917 -0.017 1
1 15 . 3 1 1 A 2 2 ASP N N 2 123.000 120.396 2.604 1
1 16 . 3 1 1 A 3 3 PRO HA H 3 4.380 4.298 0.082 1
1 23 . 3 1 1 A 3 3 PRO CA C 3 63.500 64.259 -0.759 1
1 24 . 3 1 1 A 3 3 PRO CB C 3 32.100 31.881 0.219 1
1 27 . 3 1 1 A 4 4 GLU H H 4 8.410 8.560 -0.150 1
1 28 . 3 1 1 A 4 4 GLU HA H 4 4.250 4.073 0.177 1
1 33 . 3 1 1 A 4 4 GLU CA C 4 55.900 59.416 -3.516 1
1 34 . 3 1 1 A 4 4 GLU CB C 4 30.100 29.739 0.361 1
1 36 . 3 1 1 A 4 4 GLU N N 4 118.300 117.539 0.761 1
1 37 . 3 1 1 A 5 5 ASP H H 5 8.030 7.550 0.480 1
1 38 . 3 1 1 A 5 5 ASP HA H 5 4.730 4.727 0.003 1
1 41 . 3 1 1 A 5 5 ASP CA C 5 52.600 52.558 0.042 1
1 42 . 3 1 1 A 5 5 ASP CB C 5 41.700 40.581 1.119 1
1 43 . 3 1 1 A 5 5 ASP N N 5 123.700 120.242 3.458 1
1 44 . 3 1 1 A 6 6 PRO HA H 6 3.940 4.258 -0.318 1
1 51 . 3 1 1 A 6 6 PRO CA C 6 64.900 64.420 0.480 1
1 52 . 3 1 1 A 6 6 PRO CB C 6 31.000 31.686 -0.686 1
1 55 . 3 1 1 A 7 7 PHE H H 7 8.130 7.612 0.518 1
1 56 . 3 1 1 A 7 7 PHE HA H 7 4.220 4.123 0.097 1
1 64 . 3 1 1 A 7 7 PHE CA C 7 60.800 61.533 -0.733 1
1 65 . 3 1 1 A 7 7 PHE CB C 7 38.300 39.391 -1.091 1
1 69 . 3 1 1 A 7 7 PHE N N 7 117.200 118.731 -1.531 1
1 70 . 3 1 1 A 8 8 THR H H 8 7.830 8.355 -0.525 1
1 71 . 3 1 1 A 8 8 THR HA H 8 3.710 3.828 -0.118 1
1 76 . 3 1 1 A 8 8 THR CA C 8 66.200 66.828 -0.628 1
1 77 . 3 1 1 A 8 8 THR CB C 8 68.300 68.665 -0.365 1
1 79 . 3 1 1 A 8 8 THR N N 8 115.700 115.416 0.284 1
1 80 . 3 1 1 A 9 9 ARG H H 9 7.300 8.057 -0.757 1
1 81 . 3 1 1 A 9 9 ARG HA H 9 3.840 3.993 -0.153 1
1 89 . 3 1 1 A 9 9 ARG CA C 9 59.700 58.622 1.078 1
1 90 . 3 1 1 A 9 9 ARG CB C 9 30.400 30.156 0.244 1
1 93 . 3 1 1 A 9 9 ARG N N 9 121.400 119.942 1.458 1
1 95 . 3 1 1 A 10 10 TYR H H 10 8.480 8.095 0.385 1
1 96 . 3 1 1 A 10 10 TYR HA H 10 3.800 3.993 -0.193 1
1 103 . 3 1 1 A 10 10 TYR CA C 10 61.400 61.639 -0.239 1
1 104 . 3 1 1 A 10 10 TYR CB C 10 38.300 38.627 -0.327 1
1 107 . 3 1 1 A 10 10 TYR N N 10 121.700 121.593 0.107 1
1 108 . 3 1 1 A 11 11 ALA H H 11 8.500 8.246 0.254 1
1 109 . 3 1 1 A 11 11 ALA HA H 11 3.700 3.715 -0.015 1
1 113 . 3 1 1 A 11 11 ALA CA C 11 54.400 54.893 -0.493 1
1 114 . 3 1 1 A 11 11 ALA CB C 11 17.300 18.100 -0.800 1
1 115 . 3 1 1 A 11 11 ALA N N 11 121.700 121.670 0.030 1
1 116 . 3 1 1 A 12 12 LEU H H 12 7.690 8.018 -0.328 1
1 117 . 3 1 1 A 12 12 LEU HA H 12 3.920 3.814 0.106 1
1 127 . 3 1 1 A 12 12 LEU CA C 12 57.100 57.716 -0.616 1
1 128 . 3 1 1 A 12 12 LEU CB C 12 41.500 41.144 0.356 1
1 132 . 3 1 1 A 12 12 LEU N N 12 120.900 118.050 2.850 1
1 133 . 3 1 1 A 13 13 ALA H H 13 8.010 7.803 0.207 1
1 134 . 3 1 1 A 13 13 ALA HA H 13 3.500 3.969 -0.469 1
1 138 . 3 1 1 A 13 13 ALA CA C 13 55.400 55.415 -0.015 1
1 139 . 3 1 1 A 13 13 ALA CB C 13 17.400 17.724 -0.324 1
1 140 . 3 1 1 A 13 13 ALA N N 13 123.000 121.550 1.450 1
1 141 . 3 1 1 A 14 14 GLN H H 14 7.660 7.589 0.071 1
1 142 . 3 1 1 A 14 14 GLN HA H 14 3.910 4.118 -0.208 1
1 149 . 3 1 1 A 14 14 GLN CA C 14 58.200 58.691 -0.491 1
1 150 . 3 1 1 A 14 14 GLN CB C 14 27.700 28.277 -0.577 1
1 152 . 3 1 1 A 14 14 GLN N N 14 114.000 116.888 -2.888 1
1 154 . 3 1 1 A 15 15 GLU H H 15 7.900 7.868 0.032 1
1 155 . 3 1 1 A 15 15 GLU HA H 15 3.900 4.036 -0.136 1
1 160 . 3 1 1 A 15 15 GLU CA C 15 58.800 59.213 -0.413 1
1 161 . 3 1 1 A 15 15 GLU CB C 15 28.600 29.395 -0.795 1
1 163 . 3 1 1 A 15 15 GLU N N 15 122.400 121.423 0.977 1
1 164 . 3 1 1 A 16 16 HIS H H 16 8.220 7.649 0.571 1
1 165 . 3 1 1 A 16 16 HIS HA H 16 4.520 4.400 0.120 1
1 170 . 3 1 1 A 16 16 HIS CA C 16 59.700 59.313 0.387 1
1 171 . 3 1 1 A 16 16 HIS CB C 16 29.600 29.711 -0.111 1
1 174 . 3 1 1 A 16 16 HIS N N 16 119.100 119.013 0.087 1
1 175 . 3 1 1 A 17 17 LEU H H 17 8.090 8.290 -0.200 1
1 176 . 3 1 1 A 17 17 LEU HA H 17 3.870 3.855 0.015 1
1 186 . 3 1 1 A 17 17 LEU CA C 17 57.900 58.075 -0.175 1
1 187 . 3 1 1 A 17 17 LEU CB C 17 41.400 41.453 -0.053 1
1 191 . 3 1 1 A 17 17 LEU N N 17 120.500 120.000 0.500 1
1 192 . 3 1 1 A 18 18 LYS H H 18 7.960 7.685 0.275 1
1 193 . 3 1 1 A 18 18 LYS HA H 18 4.030 4.068 -0.038 1
1 202 . 3 1 1 A 18 18 LYS CA C 18 58.400 58.768 -0.368 1
1 203 . 3 1 1 A 18 18 LYS CB C 18 31.800 31.974 -0.174 1
1 207 . 3 1 1 A 18 18 LYS N N 18 121.000 117.065 3.935 1
1 208 . 3 1 1 A 19 19 HIS H H 19 7.410 7.341 0.069 1
1 209 . 3 1 1 A 19 19 HIS HA H 19 4.720 4.624 0.096 1
1 213 . 3 1 1 A 19 19 HIS CA C 19 54.700 55.601 -0.901 1
1 214 . 3 1 1 A 19 19 HIS CB C 19 28.500 30.045 -1.545 1
1 216 . 3 1 1 A 19 19 HIS N N 19 115.800 115.067 0.733 1
1 217 . 3 1 1 A 20 20 ASP H H 20 8.010 8.254 -0.244 1
1 218 . 3 1 1 A 20 20 ASP HA H 20 4.370 4.176 0.194 1
1 221 . 3 1 1 A 20 20 ASP CA C 20 55.600 55.564 0.036 1
1 222 . 3 1 1 A 20 20 ASP CB C 20 39.600 40.686 -1.086 1
1 223 . 3 1 1 A 20 20 ASP N N 20 115.900 118.370 -2.470 1
1 224 . 3 1 1 A 21 21 ASN H H 21 8.450 8.510 -0.060 1
1 225 . 3 1 1 A 21 21 ASN HA H 21 5.130 4.972 0.158 1
1 230 . 3 1 1 A 21 21 ASN CA C 21 50.600 52.168 -1.568 1
1 231 . 3 1 1 A 21 21 ASN CB C 21 37.000 36.336 0.664 1
1 232 . 3 1 1 A 21 21 ASN N N 21 118.700 118.006 0.694 1
1 234 . 3 1 1 A 22 22 ALA H H 22 8.010 8.291 -0.281 1
1 235 . 3 1 1 A 22 22 ALA HA H 22 3.840 3.982 -0.142 1
1 239 . 3 1 1 A 22 22 ALA CA C 22 55.300 55.270 0.030 1
1 240 . 3 1 1 A 22 22 ALA CB C 22 18.300 18.335 -0.035 1
1 241 . 3 1 1 A 22 22 ALA N N 22 123.300 124.073 -0.773 1
1 242 . 3 1 1 A 23 23 SER H H 23 8.670 8.074 0.596 1
1 243 . 3 1 1 A 23 23 SER HA H 23 4.070 4.093 -0.023 1
1 246 . 3 1 1 A 23 23 SER CA C 23 61.800 61.871 -0.071 1
1 247 . 3 1 1 A 23 23 SER CB C 23 61.900 62.781 -0.881 1
1 248 . 3 1 1 A 23 23 SER N N 23 112.500 113.553 -1.053 1
1 249 . 3 1 1 A 24 24 ARG H H 24 7.230 7.937 -0.707 1
1 250 . 3 1 1 A 24 24 ARG HA H 24 3.960 3.924 0.036 1
1 257 . 3 1 1 A 24 24 ARG CA C 24 57.000 59.841 -2.841 1
1 258 . 3 1 1 A 24 24 ARG CB C 24 29.100 29.750 -0.650 1
1 261 . 3 1 1 A 24 24 ARG N N 24 122.300 121.238 1.062 1
1 262 . 3 1 1 A 25 25 ALA H H 25 7.340 7.982 -0.642 1
1 263 . 3 1 1 A 25 25 ALA HA H 25 3.570 4.026 -0.456 1
1 267 . 3 1 1 A 25 25 ALA CA C 25 55.300 55.032 0.268 1
1 268 . 3 1 1 A 25 25 ALA CB C 25 18.700 18.594 0.106 1
1 269 . 3 1 1 A 25 25 ALA N N 25 120.200 122.110 -1.910 1
1 270 . 3 1 1 A 26 26 LEU H H 26 8.420 8.395 0.025 1
1 271 . 3 1 1 A 26 26 LEU HA H 26 3.800 4.211 -0.411 1
1 281 . 3 1 1 A 26 26 LEU CA C 26 58.300 57.857 0.443 1
1 282 . 3 1 1 A 26 26 LEU CB C 26 41.800 41.281 0.519 1
1 286 . 3 1 1 A 26 26 LEU N N 26 116.500 120.068 -3.568 1
1 287 . 3 1 1 A 27 27 ALA H H 27 7.190 8.222 -1.032 1
1 288 . 3 1 1 A 27 27 ALA HA H 27 4.120 4.056 0.064 1
1 292 . 3 1 1 A 27 27 ALA CA C 27 54.700 55.150 -0.450 1
1 293 . 3 1 1 A 27 27 ALA CB C 27 18.000 18.209 -0.209 1
1 294 . 3 1 1 A 27 27 ALA N N 27 118.200 120.625 -2.425 1
1 295 . 3 1 1 A 28 28 LEU H H 28 7.500 7.754 -0.254 1
1 296 . 3 1 1 A 28 28 LEU HA H 28 4.070 3.898 0.172 1
1 306 . 3 1 1 A 28 28 LEU CA C 28 57.600 57.142 0.458 1
1 307 . 3 1 1 A 28 28 LEU CB C 28 43.100 42.672 0.428 1
1 311 . 3 1 1 A 28 28 LEU N N 28 118.300 117.465 0.835 1
1 312 . 3 1 1 A 29 29 PHE H H 29 8.690 8.310 0.380 1
1 313 . 3 1 1 A 29 29 PHE HA H 29 4.630 4.461 0.169 1
1 321 . 3 1 1 A 29 29 PHE CA C 29 58.700 60.615 -1.915 1
1 322 . 3 1 1 A 29 29 PHE CB C 29 40.300 38.489 1.811 1
1 326 . 3 1 1 A 29 29 PHE N N 29 119.000 117.604 1.396 1
1 327 . 3 1 1 A 30 30 GLU H H 30 8.990 8.586 0.404 1
1 328 . 3 1 1 A 30 30 GLU HA H 30 3.790 3.830 -0.040 1
1 333 . 3 1 1 A 30 30 GLU CA C 30 60.100 60.214 -0.114 1
1 334 . 3 1 1 A 30 30 GLU CB C 30 29.100 29.501 -0.401 1
1 336 . 3 1 1 A 30 30 GLU N N 30 117.400 118.732 -1.332 1
1 337 . 3 1 1 A 31 31 GLU H H 31 7.830 8.247 -0.417 1
1 338 . 3 1 1 A 31 31 GLU HA H 31 4.160 4.078 0.082 1
1 343 . 3 1 1 A 31 31 GLU CA C 31 58.800 59.108 -0.308 1
1 344 . 3 1 1 A 31 31 GLU CB C 31 29.900 29.286 0.614 1
1 346 . 3 1 1 A 31 31 GLU N N 31 119.500 119.963 -0.463 1
1 347 . 3 1 1 A 32 32 LEU H H 32 7.920 8.407 -0.487 1
1 348 . 3 1 1 A 32 32 LEU HA H 32 4.130 4.056 0.074 1
1 358 . 3 1 1 A 32 32 LEU CA C 32 58.200 58.175 0.025 1
1 359 . 3 1 1 A 32 32 LEU CB C 32 43.000 42.441 0.559 1
1 363 . 3 1 1 A 32 32 LEU N N 32 122.000 120.655 1.345 1
1 364 . 3 1 1 A 33 33 VAL H H 33 7.460 7.949 -0.489 1
1 365 . 3 1 1 A 33 33 VAL HA H 33 3.590 3.366 0.224 1
1 373 . 3 1 1 A 33 33 VAL CA C 33 65.800 67.095 -1.295 1
1 374 . 3 1 1 A 33 33 VAL CB C 33 31.500 31.327 0.173 1
1 377 . 3 1 1 A 33 33 VAL N N 33 116.000 117.583 -1.583 1
1 378 . 3 1 1 A 34 34 GLU H H 34 7.210 8.375 -1.165 1
1 379 . 3 1 1 A 34 34 GLU HA H 34 4.130 4.114 0.016 1
1 384 . 3 1 1 A 34 34 GLU CA C 34 58.500 58.944 -0.444 1
1 385 . 3 1 1 A 34 34 GLU CB C 34 29.900 28.794 1.106 1
1 387 . 3 1 1 A 34 34 GLU N N 34 117.400 119.334 -1.934 1
1 388 . 3 1 1 A 35 35 THR H H 35 9.100 7.329 1.771 1
1 389 . 3 1 1 A 35 35 THR HA H 35 4.180 4.311 -0.131 1
1 394 . 3 1 1 A 35 35 THR CA C 35 63.900 63.393 0.507 1
1 395 . 3 1 1 A 35 35 THR CB C 35 69.300 69.505 -0.205 1
1 397 . 3 1 1 A 35 35 THR N N 35 109.900 110.862 -0.962 1
1 398 . 3 1 1 A 36 36 ASP H H 36 8.630 8.276 0.354 1
1 399 . 3 1 1 A 36 36 ASP HA H 36 5.300 5.029 0.271 1
1 402 . 3 1 1 A 36 36 ASP CA C 36 52.700 51.337 1.363 1
1 403 . 3 1 1 A 36 36 ASP CB C 36 42.400 41.750 0.650 1
1 404 . 3 1 1 A 36 36 ASP N N 36 122.800 120.798 2.002 1
1 405 . 3 1 1 A 37 37 PRO HA H 37 4.560 4.819 -0.259 1
1 412 . 3 1 1 A 37 37 PRO CA C 37 64.400 64.269 0.131 1
1 413 . 3 1 1 A 37 37 PRO CB C 37 31.100 31.890 -0.790 1
1 416 . 3 1 1 A 38 38 ASP H H 38 8.630 8.636 -0.006 1
1 417 . 3 1 1 A 38 38 ASP HA H 38 4.570 4.583 -0.013 1
1 420 . 3 1 1 A 38 38 ASP CA C 38 53.800 56.152 -2.352 1
1 421 . 3 1 1 A 38 38 ASP CB C 38 39.500 41.139 -1.639 1
1 422 . 3 1 1 A 38 38 ASP N N 38 113.700 117.775 -4.075 1
1 423 . 3 1 1 A 39 39 TYR H H 39 8.110 7.777 0.333 1
1 424 . 3 1 1 A 39 39 TYR HA H 39 4.540 4.630 -0.090 1
1 431 . 3 1 1 A 39 39 TYR CA C 39 58.500 56.360 2.140 1
1 432 . 3 1 1 A 39 39 TYR CB C 39 36.500 37.776 -1.276 1
1 435 . 3 1 1 A 39 39 TYR N N 39 123.700 121.533 2.167 1
1 436 . 3 1 1 A 40 40 VAL H H 40 7.880 8.028 -0.148 1
1 437 . 3 1 1 A 40 40 VAL HA H 40 3.770 3.920 -0.150 1
1 445 . 3 1 1 A 40 40 VAL CA C 40 65.000 66.339 -1.339 1
1 446 . 3 1 1 A 40 40 VAL CB C 40 32.500 31.611 0.889 1
1 449 . 3 1 1 A 40 40 VAL N N 40 128.100 125.673 2.427 1
1 450 . 3 1 1 A 41 41 GLY H H 41 7.530 7.934 -0.404 1
1 451 . 3 1 1 A 41 41 GLY HA2 H 41 3.410 3.451 -0.041 1
1 452 . 3 1 1 A 41 41 GLY HA3 H 41 3.880 3.911 -0.031 1
1 453 . 3 1 1 A 41 41 GLY CA C 41 46.400 46.940 -0.540 1
1 454 . 3 1 1 A 41 41 GLY N N 41 105.900 108.579 -2.679 1
1 455 . 3 1 1 A 42 42 THR H H 42 7.150 7.339 -0.189 1
1 456 . 3 1 1 A 42 42 THR HA H 42 3.580 4.432 -0.852 1
1 462 . 3 1 1 A 42 42 THR CA C 42 65.600 67.070 -1.470 1
1 463 . 3 1 1 A 42 42 THR CB C 42 68.900 68.573 0.327 1
1 465 . 3 1 1 A 42 42 THR N N 42 111.900 118.245 -6.345 1
1 466 . 3 1 1 A 43 43 TYR H H 43 7.040 8.271 -1.231 1
1 467 . 3 1 1 A 43 43 TYR HA H 43 3.460 4.319 -0.859 1
1 474 . 3 1 1 A 43 43 TYR CA C 43 64.100 60.405 3.695 1
1 475 . 3 1 1 A 43 43 TYR CB C 43 38.300 38.742 -0.442 1
1 478 . 3 1 1 A 43 43 TYR N N 43 113.500 121.080 -7.580 1
1 479 . 3 1 1 A 44 44 TYR H H 44 9.770 8.058 1.712 1
1 480 . 3 1 1 A 44 44 TYR HA H 44 3.990 4.453 -0.463 1
1 487 . 3 1 1 A 44 44 TYR CA C 44 61.900 62.281 -0.381 1
1 488 . 3 1 1 A 44 44 TYR CB C 44 38.800 38.726 0.074 1
1 491 . 3 1 1 A 44 44 TYR N N 44 119.800 120.606 -0.806 1
1 492 . 3 1 1 A 45 45 HIS H H 45 6.380 8.189 -1.809 1
1 493 . 3 1 1 A 45 45 HIS HA H 45 3.770 4.189 -0.419 1
1 498 . 3 1 1 A 45 45 HIS CA C 45 58.500 59.487 -0.987 1
1 499 . 3 1 1 A 45 45 HIS CB C 45 31.600 30.477 1.123 1
1 502 . 3 1 1 A 45 45 HIS N N 45 114.500 116.987 -2.487 1
1 503 . 3 1 1 A 46 46 LEU H H 46 8.360 8.442 -0.082 1
1 504 . 3 1 1 A 46 46 LEU HA H 46 3.660 3.239 0.421 1
1 514 . 3 1 1 A 46 46 LEU CA C 46 57.100 57.513 -0.413 1
1 515 . 3 1 1 A 46 46 LEU CB C 46 40.800 41.605 -0.805 1
1 519 . 3 1 1 A 46 46 LEU N N 46 121.100 120.853 0.247 1
1 520 . 3 1 1 A 47 47 GLY H H 47 8.440 8.378 0.062 1
1 521 . 3 1 1 A 47 47 GLY HA2 H 47 3.350 3.126 0.224 1
1 522 . 3 1 1 A 47 47 GLY HA3 H 47 3.530 3.655 -0.125 1
1 523 . 3 1 1 A 47 47 GLY CA C 47 47.200 46.861 0.339 1
1 524 . 3 1 1 A 47 47 GLY N N 47 106.500 106.713 -0.213 1
1 525 . 3 1 1 A 48 48 LYS H H 48 7.970 7.499 0.471 1
1 526 . 3 1 1 A 48 48 LYS HA H 48 3.800 3.938 -0.138 1
1 535 . 3 1 1 A 48 48 LYS CA C 48 58.200 59.276 -1.076 1
1 536 . 3 1 1 A 48 48 LYS CB C 48 31.600 31.997 -0.397 1
1 540 . 3 1 1 A 48 48 LYS N N 48 120.500 121.795 -1.295 1
1 541 . 3 1 1 A 49 49 LEU H H 49 7.800 7.294 0.506 1
1 542 . 3 1 1 A 49 49 LEU HA H 49 4.170 3.865 0.305 1
1 552 . 3 1 1 A 49 49 LEU CA C 49 57.500 57.603 -0.103 1
1 553 . 3 1 1 A 49 49 LEU CB C 49 41.000 41.450 -0.450 1
1 557 . 3 1 1 A 49 49 LEU N N 49 124.000 121.014 2.986 1
1 558 . 3 1 1 A 50 50 TYR H H 50 8.610 8.055 0.555 1
1 559 . 3 1 1 A 50 50 TYR HA H 50 4.420 4.330 0.090 1
1 566 . 3 1 1 A 50 50 TYR CA C 50 59.600 60.524 -0.924 1
1 567 . 3 1 1 A 50 50 TYR CB C 50 35.600 37.843 -2.243 1
1 570 . 3 1 1 A 50 50 TYR N N 50 119.000 118.621 0.379 1
1 571 . 3 1 1 A 51 51 GLU H H 51 8.410 8.382 0.028 1
1 572 . 3 1 1 A 51 51 GLU HA H 51 3.760 3.880 -0.120 1
1 577 . 3 1 1 A 51 51 GLU CA C 51 61.600 60.059 1.541 1
1 578 . 3 1 1 A 51 51 GLU CB C 51 29.800 29.358 0.442 1
1 580 . 3 1 1 A 51 51 GLU N N 51 118.600 119.368 -0.768 1
1 581 . 3 1 1 A 52 52 ARG H H 52 7.910 7.876 0.034 1
1 582 . 3 1 1 A 52 52 ARG HA H 52 4.150 4.083 0.067 1
1 589 . 3 1 1 A 52 52 ARG CA C 52 58.600 58.609 -0.009 1
1 590 . 3 1 1 A 52 52 ARG CB C 52 29.600 29.990 -0.390 1
1 593 . 3 1 1 A 52 52 ARG N N 52 122.200 120.600 1.600 1
1 594 . 3 1 1 A 53 53 LEU H H 53 7.740 7.536 0.204 1
1 595 . 3 1 1 A 53 53 LEU HA H 53 4.400 4.331 0.069 1
1 605 . 3 1 1 A 53 53 LEU CA C 53 54.100 54.822 -0.722 1
1 606 . 3 1 1 A 53 53 LEU CB C 53 41.400 41.849 -0.449 1
1 610 . 3 1 1 A 53 53 LEU N N 53 119.400 118.006 1.394 1
1 611 . 3 1 1 A 54 54 ASP H H 54 8.090 8.208 -0.118 1
1 612 . 3 1 1 A 54 54 ASP HA H 54 4.410 4.239 0.171 1
1 615 . 3 1 1 A 54 54 ASP CA C 54 55.500 55.555 -0.055 1
1 616 . 3 1 1 A 54 54 ASP CB C 54 38.900 40.613 -1.713 1
1 617 . 3 1 1 A 54 54 ASP N N 54 116.300 118.372 -2.072 1
1 618 . 3 1 1 A 55 55 ARG H H 55 8.420 8.314 0.106 1
1 619 . 3 1 1 A 55 55 ARG HA H 55 4.680 4.508 0.172 1
1 627 . 3 1 1 A 55 55 ARG CA C 55 54.000 53.902 0.098 1
1 628 . 3 1 1 A 55 55 ARG CB C 55 29.800 27.895 1.905 1
1 631 . 3 1 1 A 55 55 ARG N N 55 120.800 120.493 0.307 1
1 633 . 3 1 1 A 56 56 THR H H 56 7.870 7.743 0.127 1
1 634 . 3 1 1 A 56 56 THR HA H 56 3.510 3.795 -0.285 1
1 639 . 3 1 1 A 56 56 THR CA C 56 67.500 67.345 0.155 1
1 640 . 3 1 1 A 56 56 THR CB C 56 68.000 68.743 -0.743 1
1 642 . 3 1 1 A 56 56 THR N N 56 117.300 117.062 0.238 1
1 643 . 3 1 1 A 57 57 ASP H H 57 8.450 8.328 0.122 1
1 644 . 3 1 1 A 57 57 ASP HA H 57 4.260 4.245 0.015 1
1 647 . 3 1 1 A 57 57 ASP CA C 57 57.900 57.861 0.039 1
1 648 . 3 1 1 A 57 57 ASP CB C 57 39.100 41.132 -2.032 1
1 649 . 3 1 1 A 57 57 ASP N N 57 120.300 121.298 -0.998 1
1 650 . 3 1 1 A 58 58 ASP H H 58 7.540 7.870 -0.330 1
1 651 . 3 1 1 A 58 58 ASP HA H 58 4.170 4.099 0.071 1
1 654 . 3 1 1 A 58 58 ASP CA C 58 56.900 56.900 0.000 1
1 655 . 3 1 1 A 58 58 ASP CB C 58 38.400 39.394 -0.994 1
1 656 . 3 1 1 A 58 58 ASP N N 58 120.200 119.179 1.021 1
1 657 . 3 1 1 A 59 59 ALA H H 59 8.110 7.668 0.442 1
1 658 . 3 1 1 A 59 59 ALA HA H 59 3.760 4.000 -0.240 1
1 662 . 3 1 1 A 59 59 ALA CA C 59 56.000 55.059 0.941 1
1 663 . 3 1 1 A 59 59 ALA CB C 59 19.200 18.455 0.745 1
1 664 . 3 1 1 A 59 59 ALA N N 59 124.700 122.500 2.200 1
1 665 . 3 1 1 A 60 60 ILE H H 60 8.230 8.380 -0.150 1
1 666 . 3 1 1 A 60 60 ILE HA H 60 3.520 3.932 -0.412 1
1 676 . 3 1 1 A 60 60 ILE CA C 60 66.800 65.014 1.786 1
1 677 . 3 1 1 A 60 60 ILE CB C 60 38.400 37.716 0.684 1
1 681 . 3 1 1 A 60 60 ILE N N 60 117.600 118.356 -0.756 1
1 682 . 3 1 1 A 61 61 ASP H H 61 7.750 8.200 -0.450 1
1 683 . 3 1 1 A 61 61 ASP HA H 61 4.440 4.321 0.119 1
1 686 . 3 1 1 A 61 61 ASP CA C 61 57.100 57.421 -0.321 1
1 687 . 3 1 1 A 61 61 ASP CB C 61 40.500 41.741 -1.241 1
1 688 . 3 1 1 A 61 61 ASP N N 61 118.300 120.097 -1.797 1
1 689 . 3 1 1 A 62 62 THR H H 62 8.040 7.923 0.117 1
1 690 . 3 1 1 A 62 62 THR HA H 62 4.070 4.065 0.005 1
1 695 . 3 1 1 A 62 62 THR CA C 62 68.000 66.486 1.514 1
1 696 . 3 1 1 A 62 62 THR CB C 62 68.600 68.922 -0.322 1
1 698 . 3 1 1 A 62 62 THR N N 62 119.800 114.948 4.852 1
1 699 . 3 1 1 A 63 63 TYR H H 63 8.970 7.906 1.064 1
1 700 . 3 1 1 A 63 63 TYR HA H 63 4.480 4.437 0.043 1
1 707 . 3 1 1 A 63 63 TYR CA C 63 59.200 61.178 -1.978 1
1 708 . 3 1 1 A 63 63 TYR CB C 63 37.700 37.429 0.271 1
1 711 . 3 1 1 A 63 63 TYR N N 63 121.700 120.620 1.080 1
1 712 . 3 1 1 A 64 64 ALA H H 64 8.690 8.748 -0.058 1
1 713 . 3 1 1 A 64 64 ALA HA H 64 4.000 4.044 -0.044 1
1 717 . 3 1 1 A 64 64 ALA CA C 64 55.500 55.413 0.087 1
1 718 . 3 1 1 A 64 64 ALA CB C 64 17.800 18.115 -0.315 1
1 719 . 3 1 1 A 64 64 ALA N N 64 119.400 122.879 -3.479 1
1 720 . 3 1 1 A 65 65 GLN H H 65 8.100 8.228 -0.128 1
1 721 . 3 1 1 A 65 65 GLN HA H 65 4.010 3.953 0.057 1
1 728 . 3 1 1 A 65 65 GLN CA C 65 58.600 59.080 -0.480 1
1 729 . 3 1 1 A 65 65 GLN CB C 65 28.500 28.125 0.375 1
1 731 . 3 1 1 A 65 65 GLN N N 65 119.600 118.347 1.253 1
1 733 . 3 1 1 A 66 66 GLY H H 66 8.430 8.116 0.314 1
1 734 . 3 1 1 A 66 66 GLY HA2 H 66 3.080 2.824 0.256 1
1 735 . 3 1 1 A 66 66 GLY HA3 H 66 2.520 3.352 -0.832 1
1 736 . 3 1 1 A 66 66 GLY CA C 66 46.800 46.972 -0.172 1
1 737 . 3 1 1 A 66 66 GLY N N 66 108.200 106.591 1.609 1
1 738 . 3 1 1 A 67 67 ILE H H 67 8.570 8.468 0.102 1
1 739 . 3 1 1 A 67 67 ILE HA H 67 3.320 3.794 -0.474 1
1 749 . 3 1 1 A 67 67 ILE CA C 67 65.900 64.273 1.627 1
1 750 . 3 1 1 A 67 67 ILE CB C 67 38.400 37.724 0.676 1
1 754 . 3 1 1 A 67 67 ILE N N 67 123.500 122.400 1.100 1
1 755 . 3 1 1 A 68 68 GLU H H 68 7.030 7.929 -0.899 1
1 756 . 3 1 1 A 68 68 GLU HA H 68 3.960 4.042 -0.082 1
1 761 . 3 1 1 A 68 68 GLU CA C 68 58.700 59.263 -0.563 1
1 762 . 3 1 1 A 68 68 GLU CB C 68 28.500 29.331 -0.831 1
1 764 . 3 1 1 A 68 68 GLU N N 68 116.500 120.139 -3.639 1
1 765 . 3 1 1 A 69 69 VAL H H 69 7.440 7.348 0.092 1
1 766 . 3 1 1 A 69 69 VAL HA H 69 3.740 3.890 -0.150 1
1 774 . 3 1 1 A 69 69 VAL CA C 69 65.700 64.537 1.163 1
1 775 . 3 1 1 A 69 69 VAL CB C 69 32.000 31.312 0.688 1
1 778 . 3 1 1 A 69 69 VAL N N 69 119.500 115.750 3.750 1
1 779 . 3 1 1 A 70 70 ALA H H 70 9.290 8.403 0.887 1
1 780 . 3 1 1 A 70 70 ALA HA H 70 3.820 3.979 -0.159 1
1 784 . 3 1 1 A 70 70 ALA CA C 70 54.400 55.684 -1.284 1
1 785 . 3 1 1 A 70 70 ALA CB C 70 18.000 18.281 -0.281 1
1 786 . 3 1 1 A 70 70 ALA N N 70 122.500 124.056 -1.556 1
1 787 . 3 1 1 A 71 71 ARG H H 71 8.280 7.619 0.661 1
1 788 . 3 1 1 A 71 71 ARG HA H 71 3.870 4.053 -0.183 1
1 796 . 3 1 1 A 71 71 ARG CA C 71 59.500 58.900 0.600 1
1 797 . 3 1 1 A 71 71 ARG CB C 71 30.000 29.816 0.184 1
1 800 . 3 1 1 A 71 71 ARG N N 71 116.900 117.048 -0.148 1
1 802 . 3 1 1 A 72 72 GLU H H 72 7.390 7.672 -0.282 1
1 803 . 3 1 1 A 72 72 GLU HA H 72 4.300 4.149 0.151 1
1 808 . 3 1 1 A 72 72 GLU CA C 72 57.700 58.986 -1.286 1
1 809 . 3 1 1 A 72 72 GLU CB C 72 30.500 30.198 0.302 1
1 811 . 3 1 1 A 72 72 GLU N N 72 116.800 119.107 -2.307 1
1 812 . 3 1 1 A 73 73 GLU H H 73 8.490 8.326 0.164 1
1 813 . 3 1 1 A 73 73 GLU HA H 73 4.550 4.297 0.253 1
1 818 . 3 1 1 A 73 73 GLU CA C 73 55.900 58.534 -2.634 1
1 819 . 3 1 1 A 73 73 GLU CB C 73 30.800 30.018 0.782 1
1 821 . 3 1 1 A 73 73 GLU N N 73 115.000 118.730 -3.730 1
1 822 . 3 1 1 A 74 74 GLY H H 74 8.070 7.598 0.472 1
1 823 . 3 1 1 A 74 74 GLY HA2 H 74 4.450 3.990 0.460 1
1 824 . 3 1 1 A 74 74 GLY HA3 H 74 3.830 4.000 -0.170 1
1 825 . 3 1 1 A 74 74 GLY CA C 74 44.600 44.555 0.045 1
1 826 . 3 1 1 A 74 74 GLY N N 74 108.100 109.073 -0.973 1
1 827 . 3 1 1 A 75 75 THR H H 75 8.760 8.043 0.717 1
1 828 . 3 1 1 A 75 75 THR HA H 75 4.670 4.873 -0.203 1
1 833 . 3 1 1 A 75 75 THR CA C 75 59.000 60.469 -1.469 1
1 834 . 3 1 1 A 75 75 THR CB C 75 70.900 70.385 0.515 1
1 836 . 3 1 1 A 75 75 THR N N 75 111.400 115.639 -4.239 1
1 837 . 3 1 1 A 76 76 GLN H H 76 8.710 8.781 -0.071 1
1 838 . 3 1 1 A 76 76 GLN HA H 76 3.940 3.980 -0.040 1
1 845 . 3 1 1 A 76 76 GLN CA C 76 58.700 59.335 -0.635 1
1 846 . 3 1 1 A 76 76 GLN CB C 76 27.900 28.176 -0.276 1
1 848 . 3 1 1 A 76 76 GLN N N 76 123.100 125.506 -2.406 1
1 850 . 3 1 1 A 77 77 LYS H H 77 8.240 7.920 0.320 1
1 851 . 3 1 1 A 77 77 LYS HA H 77 4.000 4.052 -0.052 1
1 860 . 3 1 1 A 77 77 LYS CA C 77 59.200 59.573 -0.373 1
1 861 . 3 1 1 A 77 77 LYS CB C 77 31.900 32.079 -0.179 1
1 865 . 3 1 1 A 77 77 LYS N N 77 121.000 119.068 1.932 1
1 866 . 3 1 1 A 78 78 ASP H H 78 7.390 8.117 -0.727 1
1 867 . 3 1 1 A 78 78 ASP HA H 78 4.170 4.441 -0.271 1
1 870 . 3 1 1 A 78 78 ASP CA C 78 57.000 57.122 -0.122 1
1 871 . 3 1 1 A 78 78 ASP CB C 78 41.400 40.588 0.812 1
1 872 . 3 1 1 A 78 78 ASP N N 78 117.800 119.853 -2.053 1
1 873 . 3 1 1 A 79 79 LEU H H 79 7.690 7.852 -0.162 1
1 874 . 3 1 1 A 79 79 LEU HA H 79 3.770 4.068 -0.298 1
1 884 . 3 1 1 A 79 79 LEU CA C 79 58.100 57.993 0.107 1
1 885 . 3 1 1 A 79 79 LEU CB C 79 42.100 41.327 0.773 1
1 889 . 3 1 1 A 79 79 LEU N N 79 118.400 122.504 -4.104 1
1 890 . 3 1 1 A 80 80 SER H H 80 8.400 8.257 0.143 1
1 891 . 3 1 1 A 80 80 SER HA H 80 4.170 4.037 0.133 1
1 894 . 3 1 1 A 80 80 SER CA C 80 61.500 61.484 0.016 1
1 895 . 3 1 1 A 80 80 SER CB C 80 62.500 62.787 -0.287 1
1 896 . 3 1 1 A 80 80 SER N N 80 114.000 114.665 -0.665 1
1 897 . 3 1 1 A 81 81 GLU H H 81 7.930 7.645 0.285 1
1 898 . 3 1 1 A 81 81 GLU HA H 81 4.030 4.000 0.030 1
1 903 . 3 1 1 A 81 81 GLU CA C 81 59.000 58.840 0.160 1
1 904 . 3 1 1 A 81 81 GLU CB C 81 29.000 29.016 -0.016 1
1 906 . 3 1 1 A 81 81 GLU N N 81 121.000 122.254 -1.254 1
1 907 . 3 1 1 A 82 82 LEU H H 82 7.870 8.233 -0.363 1
1 908 . 3 1 1 A 82 82 LEU HA H 82 3.890 4.003 -0.113 1
1 918 . 3 1 1 A 82 82 LEU CA C 82 57.900 58.035 -0.135 1
1 919 . 3 1 1 A 82 82 LEU CB C 82 43.900 41.162 2.738 1
1 923 . 3 1 1 A 82 82 LEU N N 82 120.900 120.229 0.671 1
1 924 . 3 1 1 A 83 83 GLN H H 83 8.520 8.446 0.074 1
1 925 . 3 1 1 A 83 83 GLN HA H 83 3.900 3.880 0.020 1
1 932 . 3 1 1 A 83 83 GLN CA C 83 59.200 58.968 0.232 1
1 933 . 3 1 1 A 83 83 GLN CB C 83 28.300 28.261 0.039 1
1 935 . 3 1 1 A 83 83 GLN N N 83 118.300 117.858 0.442 1
1 937 . 3 1 1 A 84 84 ASP H H 84 8.140 8.659 -0.519 1
1 938 . 3 1 1 A 84 84 ASP HA H 84 4.340 4.273 0.067 1
1 941 . 3 1 1 A 84 84 ASP CA C 84 57.100 58.029 -0.929 1
1 942 . 3 1 1 A 84 84 ASP CB C 84 41.000 42.138 -1.138 1
1 943 . 3 1 1 A 84 84 ASP N N 84 119.700 119.890 -0.190 1
1 944 . 3 1 1 A 85 85 ALA H H 85 7.740 8.042 -0.302 1
1 945 . 3 1 1 A 85 85 ALA HA H 85 3.810 3.940 -0.130 1
1 949 . 3 1 1 A 85 85 ALA CA C 85 54.600 55.286 -0.686 1
1 950 . 3 1 1 A 85 85 ALA CB C 85 16.200 17.799 -1.599 1
1 951 . 3 1 1 A 85 85 ALA N N 85 121.600 121.526 0.074 1
1 952 . 3 1 1 A 86 86 LYS H H 86 8.070 7.540 0.530 1
1 953 . 3 1 1 A 86 86 LYS HA H 86 3.810 4.054 -0.244 1
1 962 . 3 1 1 A 86 86 LYS CA C 86 60.600 59.046 1.554 1
1 963 . 3 1 1 A 86 86 LYS CB C 86 33.300 31.756 1.544 1
1 967 . 3 1 1 A 86 86 LYS N N 86 120.200 116.479 3.721 1
1 968 . 3 1 1 A 87 87 LEU H H 87 7.780 8.293 -0.513 1
1 969 . 3 1 1 A 87 87 LEU HA H 87 4.160 3.945 0.215 1
1 979 . 3 1 1 A 87 87 LEU CA C 87 57.500 58.293 -0.793 1
1 980 . 3 1 1 A 87 87 LEU CB C 87 41.900 41.696 0.204 1
1 984 . 3 1 1 A 87 87 LEU N N 87 118.400 121.233 -2.833 1
1 985 . 3 1 1 A 88 88 LYS H H 88 7.900 7.874 0.026 1
1 986 . 3 1 1 A 88 88 LYS HA H 88 3.960 4.028 -0.068 1
1 995 . 3 1 1 A 88 88 LYS CA C 88 59.200 59.060 0.140 1
1 996 . 3 1 1 A 88 88 LYS CB C 88 32.000 31.827 0.173 1
1 1000 . 3 1 1 A 88 88 LYS N N 88 118.700 117.449 1.251 1
1 1001 . 3 1 1 A 89 89 ALA H H 89 8.000 7.729 0.271 1
1 1002 . 3 1 1 A 89 89 ALA HA H 89 4.150 4.069 0.081 1
1 1006 . 3 1 1 A 89 89 ALA CA C 89 54.500 55.202 -0.702 1
1 1007 . 3 1 1 A 89 89 ALA CB C 89 17.800 18.458 -0.658 1
1 1008 . 3 1 1 A 89 89 ALA N N 89 122.400 121.797 0.603 1
1 1009 . 3 1 1 A 90 90 GLU H H 90 8.300 8.516 -0.216 1
1 1010 . 3 1 1 A 90 90 GLU HA H 90 3.930 4.095 -0.165 1
1 1015 . 3 1 1 A 90 90 GLU CA C 90 58.000 59.184 -1.184 1
1 1016 . 3 1 1 A 90 90 GLU CB C 90 29.700 29.491 0.209 1
1 1018 . 3 1 1 A 90 90 GLU N N 90 116.700 117.041 -0.341 1
1 1019 . 3 1 1 A 91 91 GLY H H 91 7.710 7.639 0.071 1
1 1020 . 3 1 1 A 91 91 GLY HA2 H 91 4.070 3.994 0.076 1
1 1021 . 3 1 1 A 91 91 GLY HA3 H 91 3.870 4.010 -0.140 1
1 1022 . 3 1 1 A 91 91 GLY CA C 91 45.500 45.598 -0.098 1
1 1023 . 3 1 1 A 91 91 GLY N N 91 106.000 109.109 -3.109 1
1 1024 . 3 1 1 A 92 92 LEU H H 92 7.640 7.758 -0.118 1
1 1025 . 3 1 1 A 92 92 LEU HA H 92 4.270 3.973 0.297 1
1 1035 . 3 1 1 A 92 92 LEU CA C 92 55.200 58.082 -2.882 1
1 1036 . 3 1 1 A 92 92 LEU CB C 92 42.100 41.751 0.349 1
1 1040 . 3 1 1 A 92 92 LEU N N 92 121.200 121.975 -0.775 1
1 1041 . 3 1 1 A 93 93 GLU H H 93 8.290 8.013 0.277 1
1 1042 . 3 1 1 A 93 93 GLU HA H 93 4.130 4.530 -0.400 1
1 1047 . 3 1 1 A 93 93 GLU CA C 93 56.700 55.432 1.268 1
1 1048 . 3 1 1 A 93 93 GLU CB C 93 29.700 31.050 -1.350 1
1 1050 . 3 1 1 A 93 93 GLU N N 93 120.200 116.566 3.634 1
1 1051 . 3 1 1 A 94 94 HIS H H 94 8.260 8.664 -0.404 1
1 1052 . 3 1 1 A 94 94 HIS HA H 94 4.560 4.528 0.032 1
1 1055 . 3 1 1 A 94 94 HIS CA C 94 55.400 57.570 -2.170 1
1 1056 . 3 1 1 A 94 94 HIS CB C 94 29.700 30.384 -0.684 1
1 1057 . 3 1 1 A 94 94 HIS N N 94 118.900 122.552 -3.652 1
1 1058 . 3 1 1 A 95 95 HIS H H 95 8.170 7.502 0.668 1
1 1059 . 3 1 1 A 95 95 HIS HA H 95 4.410 4.200 0.210 1
1 1062 . 3 1 1 A 95 95 HIS CA C 95 57.000 54.837 2.163 1
1 1063 . 3 1 1 A 95 95 HIS CB C 95 30.000 27.996 2.004 1
1 9 . 4 1 1 A 2 2 ASP H H 2 8.560 9.000 -0.440 1
1 10 . 4 1 1 A 2 2 ASP HA H 2 4.850 5.032 -0.182 1
1 13 . 4 1 1 A 2 2 ASP CA C 2 52.200 51.899 0.301 1
1 14 . 4 1 1 A 2 2 ASP CB C 2 40.900 41.052 -0.152 1
1 15 . 4 1 1 A 2 2 ASP N N 2 123.000 122.605 0.395 1
1 16 . 4 1 1 A 3 3 PRO HA H 3 4.380 4.354 0.026 1
1 23 . 4 1 1 A 3 3 PRO CA C 3 63.500 64.399 -0.899 1
1 24 . 4 1 1 A 3 3 PRO CB C 3 32.100 31.792 0.308 1
1 27 . 4 1 1 A 4 4 GLU H H 4 8.410 8.698 -0.288 1
1 28 . 4 1 1 A 4 4 GLU HA H 4 4.250 4.076 0.174 1
1 33 . 4 1 1 A 4 4 GLU CA C 4 55.900 58.873 -2.973 1
1 34 . 4 1 1 A 4 4 GLU CB C 4 30.100 29.567 0.533 1
1 36 . 4 1 1 A 4 4 GLU N N 4 118.300 117.589 0.711 1
1 37 . 4 1 1 A 5 5 ASP H H 5 8.030 7.300 0.730 1
1 38 . 4 1 1 A 5 5 ASP HA H 5 4.730 4.763 -0.033 1
1 41 . 4 1 1 A 5 5 ASP CA C 5 52.600 52.462 0.138 1
1 42 . 4 1 1 A 5 5 ASP CB C 5 41.700 40.754 0.946 1
1 43 . 4 1 1 A 5 5 ASP N N 5 123.700 120.552 3.148 1
1 44 . 4 1 1 A 6 6 PRO HA H 6 3.940 4.200 -0.260 1
1 51 . 4 1 1 A 6 6 PRO CA C 6 64.900 65.308 -0.408 1
1 52 . 4 1 1 A 6 6 PRO CB C 6 31.000 31.448 -0.448 1
1 55 . 4 1 1 A 7 7 PHE H H 7 8.130 7.800 0.330 1
1 56 . 4 1 1 A 7 7 PHE HA H 7 4.220 4.357 -0.137 1
1 64 . 4 1 1 A 7 7 PHE CA C 7 60.800 61.726 -0.926 1
1 65 . 4 1 1 A 7 7 PHE CB C 7 38.300 39.637 -1.337 1
1 69 . 4 1 1 A 7 7 PHE N N 7 117.200 118.681 -1.481 1
1 70 . 4 1 1 A 8 8 THR H H 8 7.830 8.233 -0.403 1
1 71 . 4 1 1 A 8 8 THR HA H 8 3.710 3.889 -0.179 1
1 76 . 4 1 1 A 8 8 THR CA C 8 66.200 66.581 -0.381 1
1 77 . 4 1 1 A 8 8 THR CB C 8 68.300 68.980 -0.680 1
1 79 . 4 1 1 A 8 8 THR N N 8 115.700 114.953 0.747 1
1 80 . 4 1 1 A 9 9 ARG H H 9 7.300 8.437 -1.137 1
1 81 . 4 1 1 A 9 9 ARG HA H 9 3.840 4.013 -0.173 1
1 89 . 4 1 1 A 9 9 ARG CA C 9 59.700 58.594 1.106 1
1 90 . 4 1 1 A 9 9 ARG CB C 9 30.400 29.807 0.593 1
1 93 . 4 1 1 A 9 9 ARG N N 9 121.400 120.525 0.875 1
1 95 . 4 1 1 A 10 10 TYR H H 10 8.480 8.277 0.203 1
1 96 . 4 1 1 A 10 10 TYR HA H 10 3.800 4.139 -0.339 1
1 103 . 4 1 1 A 10 10 TYR CA C 10 61.400 61.575 -0.175 1
1 104 . 4 1 1 A 10 10 TYR CB C 10 38.300 38.489 -0.189 1
1 107 . 4 1 1 A 10 10 TYR N N 10 121.700 121.758 -0.058 1
1 108 . 4 1 1 A 11 11 ALA H H 11 8.500 7.724 0.776 1
1 109 . 4 1 1 A 11 11 ALA HA H 11 3.700 3.934 -0.234 1
1 113 . 4 1 1 A 11 11 ALA CA C 11 54.400 55.071 -0.671 1
1 114 . 4 1 1 A 11 11 ALA CB C 11 17.300 17.621 -0.321 1
1 115 . 4 1 1 A 11 11 ALA N N 11 121.700 121.546 0.154 1
1 116 . 4 1 1 A 12 12 LEU H H 12 7.690 7.881 -0.191 1
1 117 . 4 1 1 A 12 12 LEU HA H 12 3.920 3.823 0.097 1
1 127 . 4 1 1 A 12 12 LEU CA C 12 57.100 57.880 -0.780 1
1 128 . 4 1 1 A 12 12 LEU CB C 12 41.500 41.254 0.246 1
1 132 . 4 1 1 A 12 12 LEU N N 12 120.900 118.688 2.212 1
1 133 . 4 1 1 A 13 13 ALA H H 13 8.010 7.945 0.065 1
1 134 . 4 1 1 A 13 13 ALA HA H 13 3.500 3.934 -0.434 1
1 138 . 4 1 1 A 13 13 ALA CA C 13 55.400 55.304 0.096 1
1 139 . 4 1 1 A 13 13 ALA CB C 13 17.400 17.956 -0.556 1
1 140 . 4 1 1 A 13 13 ALA N N 13 123.000 121.879 1.121 1
1 141 . 4 1 1 A 14 14 GLN H H 14 7.660 7.736 -0.076 1
1 142 . 4 1 1 A 14 14 GLN HA H 14 3.910 4.025 -0.115 1
1 149 . 4 1 1 A 14 14 GLN CA C 14 58.200 58.877 -0.677 1
1 150 . 4 1 1 A 14 14 GLN CB C 14 27.700 28.538 -0.838 1
1 152 . 4 1 1 A 14 14 GLN N N 14 114.000 117.138 -3.138 1
1 154 . 4 1 1 A 15 15 GLU H H 15 7.900 7.872 0.028 1
1 155 . 4 1 1 A 15 15 GLU HA H 15 3.900 4.049 -0.149 1
1 160 . 4 1 1 A 15 15 GLU CA C 15 58.800 59.143 -0.343 1
1 161 . 4 1 1 A 15 15 GLU CB C 15 28.600 29.423 -0.823 1
1 163 . 4 1 1 A 15 15 GLU N N 15 122.400 120.972 1.428 1
1 164 . 4 1 1 A 16 16 HIS H H 16 8.220 7.658 0.562 1
1 165 . 4 1 1 A 16 16 HIS HA H 16 4.520 4.454 0.066 1
1 170 . 4 1 1 A 16 16 HIS CA C 16 59.700 59.508 0.192 1
1 171 . 4 1 1 A 16 16 HIS CB C 16 29.600 29.739 -0.139 1
1 174 . 4 1 1 A 16 16 HIS N N 16 119.100 118.966 0.134 1
1 175 . 4 1 1 A 17 17 LEU H H 17 8.090 8.271 -0.181 1
1 176 . 4 1 1 A 17 17 LEU HA H 17 3.870 3.847 0.023 1
1 186 . 4 1 1 A 17 17 LEU CA C 17 57.900 58.085 -0.185 1
1 187 . 4 1 1 A 17 17 LEU CB C 17 41.400 41.464 -0.064 1
1 191 . 4 1 1 A 17 17 LEU N N 17 120.500 120.030 0.470 1
1 192 . 4 1 1 A 18 18 LYS H H 18 7.960 7.831 0.129 1
1 193 . 4 1 1 A 18 18 LYS HA H 18 4.030 4.049 -0.019 1
1 202 . 4 1 1 A 18 18 LYS CA C 18 58.400 58.777 -0.377 1
1 203 . 4 1 1 A 18 18 LYS CB C 18 31.800 32.061 -0.261 1
1 207 . 4 1 1 A 18 18 LYS N N 18 121.000 117.332 3.668 1
1 208 . 4 1 1 A 19 19 HIS H H 19 7.410 7.558 -0.148 1
1 209 . 4 1 1 A 19 19 HIS HA H 19 4.720 4.612 0.108 1
1 213 . 4 1 1 A 19 19 HIS CA C 19 54.700 55.599 -0.899 1
1 214 . 4 1 1 A 19 19 HIS CB C 19 28.500 29.911 -1.411 1
1 216 . 4 1 1 A 19 19 HIS N N 19 115.800 115.062 0.738 1
1 217 . 4 1 1 A 20 20 ASP H H 20 8.010 8.166 -0.156 1
1 218 . 4 1 1 A 20 20 ASP HA H 20 4.370 4.187 0.183 1
1 221 . 4 1 1 A 20 20 ASP CA C 20 55.600 55.595 0.005 1
1 222 . 4 1 1 A 20 20 ASP CB C 20 39.600 40.673 -1.073 1
1 223 . 4 1 1 A 20 20 ASP N N 20 115.900 118.282 -2.382 1
1 224 . 4 1 1 A 21 21 ASN H H 21 8.450 8.379 0.071 1
1 225 . 4 1 1 A 21 21 ASN HA H 21 5.130 5.008 0.122 1
1 230 . 4 1 1 A 21 21 ASN CA C 21 50.600 52.044 -1.444 1
1 231 . 4 1 1 A 21 21 ASN CB C 21 37.000 36.461 0.539 1
1 232 . 4 1 1 A 21 21 ASN N N 21 118.700 118.730 -0.030 1
1 234 . 4 1 1 A 22 22 ALA H H 22 8.010 8.277 -0.267 1
1 235 . 4 1 1 A 22 22 ALA HA H 22 3.840 3.967 -0.127 1
1 239 . 4 1 1 A 22 22 ALA CA C 22 55.300 55.513 -0.213 1
1 240 . 4 1 1 A 22 22 ALA CB C 22 18.300 18.608 -0.308 1
1 241 . 4 1 1 A 22 22 ALA N N 22 123.300 125.851 -2.551 1
1 242 . 4 1 1 A 23 23 SER H H 23 8.670 8.144 0.526 1
1 243 . 4 1 1 A 23 23 SER HA H 23 4.070 4.214 -0.144 1
1 246 . 4 1 1 A 23 23 SER CA C 23 61.800 59.902 1.898 1
1 247 . 4 1 1 A 23 23 SER CB C 23 61.900 62.988 -1.088 1
1 248 . 4 1 1 A 23 23 SER N N 23 112.500 113.369 -0.869 1
1 249 . 4 1 1 A 24 24 ARG H H 24 7.230 7.926 -0.696 1
1 250 . 4 1 1 A 24 24 ARG HA H 24 3.960 3.877 0.083 1
1 257 . 4 1 1 A 24 24 ARG CA C 24 57.000 59.505 -2.505 1
1 258 . 4 1 1 A 24 24 ARG CB C 24 29.100 29.879 -0.779 1
1 261 . 4 1 1 A 24 24 ARG N N 24 122.300 121.821 0.479 1
1 262 . 4 1 1 A 25 25 ALA H H 25 7.340 7.892 -0.552 1
1 263 . 4 1 1 A 25 25 ALA HA H 25 3.570 3.923 -0.353 1
1 267 . 4 1 1 A 25 25 ALA CA C 25 55.300 55.065 0.235 1
1 268 . 4 1 1 A 25 25 ALA CB C 25 18.700 18.313 0.387 1
1 269 . 4 1 1 A 25 25 ALA N N 25 120.200 121.611 -1.411 1
1 270 . 4 1 1 A 26 26 LEU H H 26 8.420 8.402 0.018 1
1 271 . 4 1 1 A 26 26 LEU HA H 26 3.800 4.289 -0.489 1
1 281 . 4 1 1 A 26 26 LEU CA C 26 58.300 57.834 0.466 1
1 282 . 4 1 1 A 26 26 LEU CB C 26 41.800 41.343 0.457 1
1 286 . 4 1 1 A 26 26 LEU N N 26 116.500 120.005 -3.505 1
1 287 . 4 1 1 A 27 27 ALA H H 27 7.190 8.293 -1.103 1
1 288 . 4 1 1 A 27 27 ALA HA H 27 4.120 4.076 0.044 1
1 292 . 4 1 1 A 27 27 ALA CA C 27 54.700 55.172 -0.472 1
1 293 . 4 1 1 A 27 27 ALA CB C 27 18.000 18.042 -0.042 1
1 294 . 4 1 1 A 27 27 ALA N N 27 118.200 120.599 -2.399 1
1 295 . 4 1 1 A 28 28 LEU H H 28 7.500 7.966 -0.466 1
1 296 . 4 1 1 A 28 28 LEU HA H 28 4.070 3.854 0.216 1
1 306 . 4 1 1 A 28 28 LEU CA C 28 57.600 57.609 -0.009 1
1 307 . 4 1 1 A 28 28 LEU CB C 28 43.100 41.971 1.129 1
1 311 . 4 1 1 A 28 28 LEU N N 28 118.300 118.242 0.058 1
1 312 . 4 1 1 A 29 29 PHE H H 29 8.690 8.265 0.425 1
1 313 . 4 1 1 A 29 29 PHE HA H 29 4.630 4.311 0.319 1
1 321 . 4 1 1 A 29 29 PHE CA C 29 58.700 60.879 -2.179 1
1 322 . 4 1 1 A 29 29 PHE CB C 29 40.300 38.539 1.761 1
1 326 . 4 1 1 A 29 29 PHE N N 29 119.000 117.906 1.094 1
1 327 . 4 1 1 A 30 30 GLU H H 30 8.990 8.787 0.203 1
1 328 . 4 1 1 A 30 30 GLU HA H 30 3.790 3.927 -0.137 1
1 333 . 4 1 1 A 30 30 GLU CA C 30 60.100 60.315 -0.215 1
1 334 . 4 1 1 A 30 30 GLU CB C 30 29.100 28.969 0.131 1
1 336 . 4 1 1 A 30 30 GLU N N 30 117.400 118.533 -1.133 1
1 337 . 4 1 1 A 31 31 GLU H H 31 7.830 8.012 -0.182 1
1 338 . 4 1 1 A 31 31 GLU HA H 31 4.160 4.146 0.014 1
1 343 . 4 1 1 A 31 31 GLU CA C 31 58.800 58.910 -0.110 1
1 344 . 4 1 1 A 31 31 GLU CB C 31 29.900 28.776 1.124 1
1 346 . 4 1 1 A 31 31 GLU N N 31 119.500 119.822 -0.322 1
1 347 . 4 1 1 A 32 32 LEU H H 32 7.920 8.166 -0.246 1
1 348 . 4 1 1 A 32 32 LEU HA H 32 4.130 4.233 -0.103 1
1 358 . 4 1 1 A 32 32 LEU CA C 32 58.200 57.999 0.201 1
1 359 . 4 1 1 A 32 32 LEU CB C 32 43.000 41.796 1.204 1
1 363 . 4 1 1 A 32 32 LEU N N 32 122.000 120.703 1.297 1
1 364 . 4 1 1 A 33 33 VAL H H 33 7.460 7.668 -0.208 1
1 365 . 4 1 1 A 33 33 VAL HA H 33 3.590 3.440 0.150 1
1 373 . 4 1 1 A 33 33 VAL CA C 33 65.800 66.946 -1.146 1
1 374 . 4 1 1 A 33 33 VAL CB C 33 31.500 31.055 0.445 1
1 377 . 4 1 1 A 33 33 VAL N N 33 116.000 119.099 -3.099 1
1 378 . 4 1 1 A 34 34 GLU H H 34 7.210 8.473 -1.263 1
1 379 . 4 1 1 A 34 34 GLU HA H 34 4.130 4.093 0.037 1
1 384 . 4 1 1 A 34 34 GLU CA C 34 58.500 59.098 -0.598 1
1 385 . 4 1 1 A 34 34 GLU CB C 34 29.900 28.827 1.073 1
1 387 . 4 1 1 A 34 34 GLU N N 34 117.400 119.438 -2.038 1
1 388 . 4 1 1 A 35 35 THR H H 35 9.100 7.430 1.670 1
1 389 . 4 1 1 A 35 35 THR HA H 35 4.180 4.238 -0.058 1
1 394 . 4 1 1 A 35 35 THR CA C 35 63.900 63.225 0.675 1
1 395 . 4 1 1 A 35 35 THR CB C 35 69.300 69.129 0.171 1
1 397 . 4 1 1 A 35 35 THR N N 35 109.900 111.214 -1.314 1
1 398 . 4 1 1 A 36 36 ASP H H 36 8.630 7.976 0.654 1
1 399 . 4 1 1 A 36 36 ASP HA H 36 5.300 4.948 0.352 1
1 402 . 4 1 1 A 36 36 ASP CA C 36 52.700 51.624 1.076 1
1 403 . 4 1 1 A 36 36 ASP CB C 36 42.400 41.749 0.651 1
1 404 . 4 1 1 A 36 36 ASP N N 36 122.800 120.102 2.698 1
1 405 . 4 1 1 A 37 37 PRO HA H 37 4.560 4.634 -0.074 1
1 412 . 4 1 1 A 37 37 PRO CA C 37 64.400 64.182 0.218 1
1 413 . 4 1 1 A 37 37 PRO CB C 37 31.100 31.987 -0.887 1
1 416 . 4 1 1 A 38 38 ASP H H 38 8.630 8.281 0.349 1
1 417 . 4 1 1 A 38 38 ASP HA H 38 4.570 4.876 -0.306 1
1 420 . 4 1 1 A 38 38 ASP CA C 38 53.800 53.623 0.177 1
1 421 . 4 1 1 A 38 38 ASP CB C 38 39.500 41.740 -2.240 1
1 422 . 4 1 1 A 38 38 ASP N N 38 113.700 116.214 -2.514 1
1 423 . 4 1 1 A 39 39 TYR H H 39 8.110 7.840 0.270 1
1 424 . 4 1 1 A 39 39 TYR HA H 39 4.540 4.639 -0.099 1
1 431 . 4 1 1 A 39 39 TYR CA C 39 58.500 56.648 1.852 1
1 432 . 4 1 1 A 39 39 TYR CB C 39 36.500 38.200 -1.700 1
1 435 . 4 1 1 A 39 39 TYR N N 39 123.700 122.299 1.401 1
1 436 . 4 1 1 A 40 40 VAL H H 40 7.880 7.743 0.137 1
1 437 . 4 1 1 A 40 40 VAL HA H 40 3.770 3.827 -0.057 1
1 445 . 4 1 1 A 40 40 VAL CA C 40 65.000 66.311 -1.311 1
1 446 . 4 1 1 A 40 40 VAL CB C 40 32.500 31.695 0.805 1
1 449 . 4 1 1 A 40 40 VAL N N 40 128.100 125.891 2.209 1
1 450 . 4 1 1 A 41 41 GLY H H 41 7.530 7.968 -0.438 1
1 451 . 4 1 1 A 41 41 GLY HA2 H 41 3.410 3.588 -0.178 1
1 452 . 4 1 1 A 41 41 GLY HA3 H 41 3.880 3.923 -0.043 1
1 453 . 4 1 1 A 41 41 GLY CA C 41 46.400 47.058 -0.658 1
1 454 . 4 1 1 A 41 41 GLY N N 41 105.900 108.772 -2.872 1
1 455 . 4 1 1 A 42 42 THR H H 42 7.150 8.026 -0.876 1
1 456 . 4 1 1 A 42 42 THR HA H 42 3.580 4.481 -0.901 1
1 462 . 4 1 1 A 42 42 THR CA C 42 65.600 66.765 -1.165 1
1 463 . 4 1 1 A 42 42 THR CB C 42 68.900 68.663 0.237 1
1 465 . 4 1 1 A 42 42 THR N N 42 111.900 118.595 -6.695 1
1 466 . 4 1 1 A 43 43 TYR H H 43 7.040 8.645 -1.605 1
1 467 . 4 1 1 A 43 43 TYR HA H 43 3.460 4.355 -0.895 1
1 474 . 4 1 1 A 43 43 TYR CA C 43 64.100 60.538 3.562 1
1 475 . 4 1 1 A 43 43 TYR CB C 43 38.300 38.182 0.118 1
1 478 . 4 1 1 A 43 43 TYR N N 43 113.500 120.303 -6.803 1
1 479 . 4 1 1 A 44 44 TYR H H 44 9.770 8.492 1.278 1
1 480 . 4 1 1 A 44 44 TYR HA H 44 3.990 4.512 -0.522 1
1 487 . 4 1 1 A 44 44 TYR CA C 44 61.900 62.189 -0.289 1
1 488 . 4 1 1 A 44 44 TYR CB C 44 38.800 38.950 -0.150 1
1 491 . 4 1 1 A 44 44 TYR N N 44 119.800 120.704 -0.904 1
1 492 . 4 1 1 A 45 45 HIS H H 45 6.380 8.313 -1.933 1
1 493 . 4 1 1 A 45 45 HIS HA H 45 3.770 4.279 -0.509 1
1 498 . 4 1 1 A 45 45 HIS CA C 45 58.500 59.575 -1.075 1
1 499 . 4 1 1 A 45 45 HIS CB C 45 31.600 30.254 1.346 1
1 502 . 4 1 1 A 45 45 HIS N N 45 114.500 117.305 -2.805 1
1 503 . 4 1 1 A 46 46 LEU H H 46 8.360 8.566 -0.206 1
1 504 . 4 1 1 A 46 46 LEU HA H 46 3.660 3.326 0.334 1
1 514 . 4 1 1 A 46 46 LEU CA C 46 57.100 57.658 -0.558 1
1 515 . 4 1 1 A 46 46 LEU CB C 46 40.800 41.717 -0.917 1
1 519 . 4 1 1 A 46 46 LEU N N 46 121.100 120.717 0.383 1
1 520 . 4 1 1 A 47 47 GLY H H 47 8.440 8.083 0.357 1
1 521 . 4 1 1 A 47 47 GLY HA2 H 47 3.350 3.225 0.125 1
1 522 . 4 1 1 A 47 47 GLY HA3 H 47 3.530 3.755 -0.225 1
1 523 . 4 1 1 A 47 47 GLY CA C 47 47.200 46.925 0.275 1
1 524 . 4 1 1 A 47 47 GLY N N 47 106.500 106.153 0.347 1
1 525 . 4 1 1 A 48 48 LYS H H 48 7.970 7.520 0.450 1
1 526 . 4 1 1 A 48 48 LYS HA H 48 3.800 3.955 -0.155 1
1 535 . 4 1 1 A 48 48 LYS CA C 48 58.200 59.384 -1.184 1
1 536 . 4 1 1 A 48 48 LYS CB C 48 31.600 32.221 -0.621 1
1 540 . 4 1 1 A 48 48 LYS N N 48 120.500 121.987 -1.487 1
1 541 . 4 1 1 A 49 49 LEU H H 49 7.800 7.590 0.210 1
1 542 . 4 1 1 A 49 49 LEU HA H 49 4.170 3.895 0.275 1
1 552 . 4 1 1 A 49 49 LEU CA C 49 57.500 57.497 0.003 1
1 553 . 4 1 1 A 49 49 LEU CB C 49 41.000 41.707 -0.707 1
1 557 . 4 1 1 A 49 49 LEU N N 49 124.000 120.616 3.384 1
1 558 . 4 1 1 A 50 50 TYR H H 50 8.610 7.904 0.706 1
1 559 . 4 1 1 A 50 50 TYR HA H 50 4.420 4.342 0.078 1
1 566 . 4 1 1 A 50 50 TYR CA C 50 59.600 60.813 -1.213 1
1 567 . 4 1 1 A 50 50 TYR CB C 50 35.600 37.918 -2.318 1
1 570 . 4 1 1 A 50 50 TYR N N 50 119.000 118.729 0.271 1
1 571 . 4 1 1 A 51 51 GLU H H 51 8.410 8.410 0.000 1
1 572 . 4 1 1 A 51 51 GLU HA H 51 3.760 3.882 -0.122 1
1 577 . 4 1 1 A 51 51 GLU CA C 51 61.600 60.009 1.591 1
1 578 . 4 1 1 A 51 51 GLU CB C 51 29.800 29.415 0.385 1
1 580 . 4 1 1 A 51 51 GLU N N 51 118.600 118.708 -0.108 1
1 581 . 4 1 1 A 52 52 ARG H H 52 7.910 7.844 0.066 1
1 582 . 4 1 1 A 52 52 ARG HA H 52 4.150 4.112 0.038 1
1 589 . 4 1 1 A 52 52 ARG CA C 52 58.600 58.632 -0.032 1
1 590 . 4 1 1 A 52 52 ARG CB C 52 29.600 30.108 -0.508 1
1 593 . 4 1 1 A 52 52 ARG N N 52 122.200 120.412 1.788 1
1 594 . 4 1 1 A 53 53 LEU H H 53 7.740 7.673 0.067 1
1 595 . 4 1 1 A 53 53 LEU HA H 53 4.400 4.365 0.035 1
1 605 . 4 1 1 A 53 53 LEU CA C 53 54.100 54.831 -0.731 1
1 606 . 4 1 1 A 53 53 LEU CB C 53 41.400 41.916 -0.516 1
1 610 . 4 1 1 A 53 53 LEU N N 53 119.400 117.851 1.549 1
1 611 . 4 1 1 A 54 54 ASP H H 54 8.090 8.130 -0.040 1
1 612 . 4 1 1 A 54 54 ASP HA H 54 4.410 4.279 0.131 1
1 615 . 4 1 1 A 54 54 ASP CA C 54 55.500 55.577 -0.077 1
1 616 . 4 1 1 A 54 54 ASP CB C 54 38.900 40.662 -1.762 1
1 617 . 4 1 1 A 54 54 ASP N N 54 116.300 118.278 -1.978 1
1 618 . 4 1 1 A 55 55 ARG H H 55 8.420 8.373 0.047 1
1 619 . 4 1 1 A 55 55 ARG HA H 55 4.680 4.651 0.029 1
1 627 . 4 1 1 A 55 55 ARG CA C 55 54.000 54.698 -0.698 1
1 628 . 4 1 1 A 55 55 ARG CB C 55 29.800 28.324 1.476 1
1 631 . 4 1 1 A 55 55 ARG N N 55 120.800 119.899 0.901 1
1 633 . 4 1 1 A 56 56 THR H H 56 7.870 7.716 0.154 1
1 634 . 4 1 1 A 56 56 THR HA H 56 3.510 3.734 -0.224 1
1 639 . 4 1 1 A 56 56 THR CA C 56 67.500 67.014 0.486 1
1 640 . 4 1 1 A 56 56 THR CB C 56 68.000 68.452 -0.452 1
1 642 . 4 1 1 A 56 56 THR N N 56 117.300 115.005 2.295 1
1 643 . 4 1 1 A 57 57 ASP H H 57 8.450 8.348 0.102 1
1 644 . 4 1 1 A 57 57 ASP HA H 57 4.260 4.205 0.055 1
1 647 . 4 1 1 A 57 57 ASP CA C 57 57.900 57.834 0.066 1
1 648 . 4 1 1 A 57 57 ASP CB C 57 39.100 41.655 -2.555 1
1 649 . 4 1 1 A 57 57 ASP N N 57 120.300 121.453 -1.153 1
1 650 . 4 1 1 A 58 58 ASP H H 58 7.540 8.316 -0.776 1
1 651 . 4 1 1 A 58 58 ASP HA H 58 4.170 4.167 0.003 1
1 654 . 4 1 1 A 58 58 ASP CA C 58 56.900 57.010 -0.110 1
1 655 . 4 1 1 A 58 58 ASP CB C 58 38.400 39.855 -1.455 1
1 656 . 4 1 1 A 58 58 ASP N N 58 120.200 119.383 0.817 1
1 657 . 4 1 1 A 59 59 ALA H H 59 8.110 7.700 0.410 1
1 658 . 4 1 1 A 59 59 ALA HA H 59 3.760 3.955 -0.195 1
1 662 . 4 1 1 A 59 59 ALA CA C 59 56.000 54.989 1.011 1
1 663 . 4 1 1 A 59 59 ALA CB C 59 19.200 18.518 0.682 1
1 664 . 4 1 1 A 59 59 ALA N N 59 124.700 121.851 2.849 1
1 665 . 4 1 1 A 60 60 ILE H H 60 8.230 7.987 0.243 1
1 666 . 4 1 1 A 60 60 ILE HA H 60 3.520 3.812 -0.292 1
1 676 . 4 1 1 A 60 60 ILE CA C 60 66.800 65.524 1.276 1
1 677 . 4 1 1 A 60 60 ILE CB C 60 38.400 37.738 0.662 1
1 681 . 4 1 1 A 60 60 ILE N N 60 117.600 117.847 -0.247 1
1 682 . 4 1 1 A 61 61 ASP H H 61 7.750 8.402 -0.652 1
1 683 . 4 1 1 A 61 61 ASP HA H 61 4.440 4.333 0.107 1
1 686 . 4 1 1 A 61 61 ASP CA C 61 57.100 57.050 0.050 1
1 687 . 4 1 1 A 61 61 ASP CB C 61 40.500 41.723 -1.223 1
1 688 . 4 1 1 A 61 61 ASP N N 61 118.300 120.475 -2.175 1
1 689 . 4 1 1 A 62 62 THR H H 62 8.040 7.768 0.272 1
1 690 . 4 1 1 A 62 62 THR HA H 62 4.070 4.080 -0.010 1
1 695 . 4 1 1 A 62 62 THR CA C 62 68.000 66.653 1.347 1
1 696 . 4 1 1 A 62 62 THR CB C 62 68.600 68.467 0.133 1
1 698 . 4 1 1 A 62 62 THR N N 62 119.800 116.045 3.755 1
1 699 . 4 1 1 A 63 63 TYR H H 63 8.970 8.332 0.638 1
1 700 . 4 1 1 A 63 63 TYR HA H 63 4.480 4.546 -0.066 1
1 707 . 4 1 1 A 63 63 TYR CA C 63 59.200 60.582 -1.382 1
1 708 . 4 1 1 A 63 63 TYR CB C 63 37.700 37.301 0.399 1
1 711 . 4 1 1 A 63 63 TYR N N 63 121.700 120.902 0.798 1
1 712 . 4 1 1 A 64 64 ALA H H 64 8.690 8.206 0.484 1
1 713 . 4 1 1 A 64 64 ALA HA H 64 4.000 4.127 -0.127 1
1 717 . 4 1 1 A 64 64 ALA CA C 64 55.500 55.398 0.102 1
1 718 . 4 1 1 A 64 64 ALA CB C 64 17.800 18.164 -0.364 1
1 719 . 4 1 1 A 64 64 ALA N N 64 119.400 122.397 -2.997 1
1 720 . 4 1 1 A 65 65 GLN H H 65 8.100 7.597 0.503 1
1 721 . 4 1 1 A 65 65 GLN HA H 65 4.010 4.151 -0.141 1
1 728 . 4 1 1 A 65 65 GLN CA C 65 58.600 58.987 -0.387 1
1 729 . 4 1 1 A 65 65 GLN CB C 65 28.500 28.120 0.380 1
1 731 . 4 1 1 A 65 65 GLN N N 65 119.600 118.404 1.196 1
1 733 . 4 1 1 A 66 66 GLY H H 66 8.430 8.279 0.151 1
1 734 . 4 1 1 A 66 66 GLY HA2 H 66 3.080 3.006 0.074 1
1 735 . 4 1 1 A 66 66 GLY HA3 H 66 2.520 3.516 -0.996 1
1 736 . 4 1 1 A 66 66 GLY CA C 66 46.800 47.128 -0.328 1
1 737 . 4 1 1 A 66 66 GLY N N 66 108.200 106.853 1.347 1
1 738 . 4 1 1 A 67 67 ILE H H 67 8.570 8.393 0.177 1
1 739 . 4 1 1 A 67 67 ILE HA H 67 3.320 3.809 -0.489 1
1 749 . 4 1 1 A 67 67 ILE CA C 67 65.900 64.203 1.697 1
1 750 . 4 1 1 A 67 67 ILE CB C 67 38.400 37.684 0.716 1
1 754 . 4 1 1 A 67 67 ILE N N 67 123.500 122.360 1.140 1
1 755 . 4 1 1 A 68 68 GLU H H 68 7.030 7.952 -0.922 1
1 756 . 4 1 1 A 68 68 GLU HA H 68 3.960 4.033 -0.073 1
1 761 . 4 1 1 A 68 68 GLU CA C 68 58.700 59.344 -0.644 1
1 762 . 4 1 1 A 68 68 GLU CB C 68 28.500 29.285 -0.785 1
1 764 . 4 1 1 A 68 68 GLU N N 68 116.500 120.001 -3.501 1
1 765 . 4 1 1 A 69 69 VAL H H 69 7.440 7.425 0.015 1
1 766 . 4 1 1 A 69 69 VAL HA H 69 3.740 3.869 -0.129 1
1 774 . 4 1 1 A 69 69 VAL CA C 69 65.700 64.433 1.267 1
1 775 . 4 1 1 A 69 69 VAL CB C 69 32.000 31.282 0.718 1
1 778 . 4 1 1 A 69 69 VAL N N 69 119.500 116.047 3.453 1
1 779 . 4 1 1 A 70 70 ALA H H 70 9.290 8.281 1.009 1
1 780 . 4 1 1 A 70 70 ALA HA H 70 3.820 3.968 -0.148 1
1 784 . 4 1 1 A 70 70 ALA CA C 70 54.400 55.515 -1.115 1
1 785 . 4 1 1 A 70 70 ALA CB C 70 18.000 18.153 -0.153 1
1 786 . 4 1 1 A 70 70 ALA N N 70 122.500 124.140 -1.640 1
1 787 . 4 1 1 A 71 71 ARG H H 71 8.280 7.930 0.350 1
1 788 . 4 1 1 A 71 71 ARG HA H 71 3.870 4.056 -0.186 1
1 796 . 4 1 1 A 71 71 ARG CA C 71 59.500 58.515 0.985 1
1 797 . 4 1 1 A 71 71 ARG CB C 71 30.000 29.738 0.262 1
1 800 . 4 1 1 A 71 71 ARG N N 71 116.900 117.041 -0.141 1
1 802 . 4 1 1 A 72 72 GLU H H 72 7.390 7.734 -0.344 1
1 803 . 4 1 1 A 72 72 GLU HA H 72 4.300 4.210 0.090 1
1 808 . 4 1 1 A 72 72 GLU CA C 72 57.700 58.605 -0.905 1
1 809 . 4 1 1 A 72 72 GLU CB C 72 30.500 30.484 0.016 1
1 811 . 4 1 1 A 72 72 GLU N N 72 116.800 118.904 -2.104 1
1 812 . 4 1 1 A 73 73 GLU H H 73 8.490 8.147 0.343 1
1 813 . 4 1 1 A 73 73 GLU HA H 73 4.550 4.356 0.194 1
1 818 . 4 1 1 A 73 73 GLU CA C 73 55.900 58.282 -2.382 1
1 819 . 4 1 1 A 73 73 GLU CB C 73 30.800 30.436 0.364 1
1 821 . 4 1 1 A 73 73 GLU N N 73 115.000 118.265 -3.265 1
1 822 . 4 1 1 A 74 74 GLY H H 74 8.070 7.422 0.648 1
1 823 . 4 1 1 A 74 74 GLY HA2 H 74 4.450 4.016 0.434 1
1 824 . 4 1 1 A 74 74 GLY HA3 H 74 3.830 4.018 -0.188 1
1 825 . 4 1 1 A 74 74 GLY CA C 74 44.600 44.281 0.319 1
1 826 . 4 1 1 A 74 74 GLY N N 74 108.100 109.299 -1.199 1
1 827 . 4 1 1 A 75 75 THR H H 75 8.760 8.239 0.521 1
1 828 . 4 1 1 A 75 75 THR HA H 75 4.670 4.851 -0.181 1
1 833 . 4 1 1 A 75 75 THR CA C 75 59.000 59.439 -0.439 1
1 834 . 4 1 1 A 75 75 THR CB C 75 70.900 71.176 -0.276 1
1 836 . 4 1 1 A 75 75 THR N N 75 111.400 114.509 -3.109 1
1 837 . 4 1 1 A 76 76 GLN H H 76 8.710 8.887 -0.177 1
1 838 . 4 1 1 A 76 76 GLN HA H 76 3.940 3.985 -0.045 1
1 845 . 4 1 1 A 76 76 GLN CA C 76 58.700 59.162 -0.462 1
1 846 . 4 1 1 A 76 76 GLN CB C 76 27.900 28.169 -0.269 1
1 848 . 4 1 1 A 76 76 GLN N N 76 123.100 125.991 -2.891 1
1 850 . 4 1 1 A 77 77 LYS H H 77 8.240 8.145 0.095 1
1 851 . 4 1 1 A 77 77 LYS HA H 77 4.000 4.007 -0.007 1
1 860 . 4 1 1 A 77 77 LYS CA C 77 59.200 59.690 -0.490 1
1 861 . 4 1 1 A 77 77 LYS CB C 77 31.900 32.261 -0.361 1
1 865 . 4 1 1 A 77 77 LYS N N 77 121.000 118.663 2.337 1
1 866 . 4 1 1 A 78 78 ASP H H 78 7.390 7.770 -0.380 1
1 867 . 4 1 1 A 78 78 ASP HA H 78 4.170 4.454 -0.284 1
1 870 . 4 1 1 A 78 78 ASP CA C 78 57.000 57.149 -0.149 1
1 871 . 4 1 1 A 78 78 ASP CB C 78 41.400 40.250 1.150 1
1 872 . 4 1 1 A 78 78 ASP N N 78 117.800 119.763 -1.963 1
1 873 . 4 1 1 A 79 79 LEU H H 79 7.690 7.801 -0.111 1
1 874 . 4 1 1 A 79 79 LEU HA H 79 3.770 4.056 -0.286 1
1 884 . 4 1 1 A 79 79 LEU CA C 79 58.100 58.177 -0.077 1
1 885 . 4 1 1 A 79 79 LEU CB C 79 42.100 41.403 0.697 1
1 889 . 4 1 1 A 79 79 LEU N N 79 118.400 122.464 -4.064 1
1 890 . 4 1 1 A 80 80 SER H H 80 8.400 8.057 0.343 1
1 891 . 4 1 1 A 80 80 SER HA H 80 4.170 4.138 0.032 1
1 894 . 4 1 1 A 80 80 SER CA C 80 61.500 61.208 0.292 1
1 895 . 4 1 1 A 80 80 SER CB C 80 62.500 62.842 -0.342 1
1 896 . 4 1 1 A 80 80 SER N N 80 114.000 114.405 -0.405 1
1 897 . 4 1 1 A 81 81 GLU H H 81 7.930 8.128 -0.198 1
1 898 . 4 1 1 A 81 81 GLU HA H 81 4.030 4.109 -0.079 1
1 903 . 4 1 1 A 81 81 GLU CA C 81 59.000 59.245 -0.245 1
1 904 . 4 1 1 A 81 81 GLU CB C 81 29.000 29.127 -0.127 1
1 906 . 4 1 1 A 81 81 GLU N N 81 121.000 122.256 -1.256 1
1 907 . 4 1 1 A 82 82 LEU H H 82 7.870 8.203 -0.333 1
1 908 . 4 1 1 A 82 82 LEU HA H 82 3.890 4.081 -0.191 1
1 918 . 4 1 1 A 82 82 LEU CA C 82 57.900 57.506 0.394 1
1 919 . 4 1 1 A 82 82 LEU CB C 82 43.900 41.392 2.508 1
1 923 . 4 1 1 A 82 82 LEU N N 82 120.900 120.116 0.784 1
1 924 . 4 1 1 A 83 83 GLN H H 83 8.520 8.420 0.100 1
1 925 . 4 1 1 A 83 83 GLN HA H 83 3.900 3.905 -0.005 1
1 932 . 4 1 1 A 83 83 GLN CA C 83 59.200 58.978 0.222 1
1 933 . 4 1 1 A 83 83 GLN CB C 83 28.300 28.259 0.041 1
1 935 . 4 1 1 A 83 83 GLN N N 83 118.300 118.780 -0.480 1
1 937 . 4 1 1 A 84 84 ASP H H 84 8.140 8.425 -0.285 1
1 938 . 4 1 1 A 84 84 ASP HA H 84 4.340 4.267 0.073 1
1 941 . 4 1 1 A 84 84 ASP CA C 84 57.100 57.919 -0.819 1
1 942 . 4 1 1 A 84 84 ASP CB C 84 41.000 41.673 -0.673 1
1 943 . 4 1 1 A 84 84 ASP N N 84 119.700 119.638 0.062 1
1 944 . 4 1 1 A 85 85 ALA H H 85 7.740 8.135 -0.395 1
1 945 . 4 1 1 A 85 85 ALA HA H 85 3.810 3.868 -0.058 1
1 949 . 4 1 1 A 85 85 ALA CA C 85 54.600 55.066 -0.466 1
1 950 . 4 1 1 A 85 85 ALA CB C 85 16.200 17.660 -1.460 1
1 951 . 4 1 1 A 85 85 ALA N N 85 121.600 121.479 0.121 1
1 952 . 4 1 1 A 86 86 LYS H H 86 8.070 7.557 0.513 1
1 953 . 4 1 1 A 86 86 LYS HA H 86 3.810 4.155 -0.345 1
1 962 . 4 1 1 A 86 86 LYS CA C 86 60.600 59.167 1.433 1
1 963 . 4 1 1 A 86 86 LYS CB C 86 33.300 32.027 1.273 1
1 967 . 4 1 1 A 86 86 LYS N N 86 120.200 116.586 3.614 1
1 968 . 4 1 1 A 87 87 LEU H H 87 7.780 8.083 -0.303 1
1 969 . 4 1 1 A 87 87 LEU HA H 87 4.160 4.006 0.154 1
1 979 . 4 1 1 A 87 87 LEU CA C 87 57.500 58.272 -0.772 1
1 980 . 4 1 1 A 87 87 LEU CB C 87 41.900 41.726 0.174 1
1 984 . 4 1 1 A 87 87 LEU N N 87 118.400 121.426 -3.026 1
1 985 . 4 1 1 A 88 88 LYS H H 88 7.900 8.236 -0.336 1
1 986 . 4 1 1 A 88 88 LYS HA H 88 3.960 4.043 -0.083 1
1 995 . 4 1 1 A 88 88 LYS CA C 88 59.200 59.060 0.140 1
1 996 . 4 1 1 A 88 88 LYS CB C 88 32.000 31.755 0.245 1
1 1000 . 4 1 1 A 88 88 LYS N N 88 118.700 117.495 1.205 1
1 1001 . 4 1 1 A 89 89 ALA H H 89 8.000 7.800 0.200 1
1 1002 . 4 1 1 A 89 89 ALA HA H 89 4.150 4.055 0.095 1
1 1006 . 4 1 1 A 89 89 ALA CA C 89 54.500 55.163 -0.663 1
1 1007 . 4 1 1 A 89 89 ALA CB C 89 17.800 18.378 -0.578 1
1 1008 . 4 1 1 A 89 89 ALA N N 89 122.400 122.145 0.255 1
1 1009 . 4 1 1 A 90 90 GLU H H 90 8.300 8.562 -0.262 1
1 1010 . 4 1 1 A 90 90 GLU HA H 90 3.930 4.035 -0.105 1
1 1015 . 4 1 1 A 90 90 GLU CA C 90 58.000 59.175 -1.175 1
1 1016 . 4 1 1 A 90 90 GLU CB C 90 29.700 29.449 0.251 1
1 1018 . 4 1 1 A 90 90 GLU N N 90 116.700 117.487 -0.787 1
1 1019 . 4 1 1 A 91 91 GLY H H 91 7.710 8.022 -0.312 1
1 1020 . 4 1 1 A 91 91 GLY HA2 H 91 4.070 4.054 0.016 1
1 1021 . 4 1 1 A 91 91 GLY HA3 H 91 3.870 4.080 -0.210 1
1 1022 . 4 1 1 A 91 91 GLY CA C 91 45.500 45.444 0.056 1
1 1023 . 4 1 1 A 91 91 GLY N N 91 106.000 108.609 -2.609 1
1 1024 . 4 1 1 A 92 92 LEU H H 92 7.640 7.625 0.015 1
1 1025 . 4 1 1 A 92 92 LEU HA H 92 4.270 4.094 0.176 1
1 1035 . 4 1 1 A 92 92 LEU CA C 92 55.200 57.562 -2.362 1
1 1036 . 4 1 1 A 92 92 LEU CB C 92 42.100 42.751 -0.651 1
1 1040 . 4 1 1 A 92 92 LEU N N 92 121.200 120.934 0.266 1
1 1041 . 4 1 1 A 93 93 GLU H H 93 8.290 7.801 0.489 1
1 1042 . 4 1 1 A 93 93 GLU HA H 93 4.130 4.665 -0.535 1
1 1047 . 4 1 1 A 93 93 GLU CA C 93 56.700 55.091 1.609 1
1 1048 . 4 1 1 A 93 93 GLU CB C 93 29.700 31.026 -1.326 1
1 1050 . 4 1 1 A 93 93 GLU N N 93 120.200 113.578 6.622 1
1 1051 . 4 1 1 A 94 94 HIS H H 94 8.260 8.901 -0.641 1
1 1052 . 4 1 1 A 94 94 HIS HA H 94 4.560 4.832 -0.272 1
1 1055 . 4 1 1 A 94 94 HIS CA C 94 55.400 54.128 1.272 1
1 1056 . 4 1 1 A 94 94 HIS CB C 94 29.700 28.621 1.079 1
1 1057 . 4 1 1 A 94 94 HIS N N 94 118.900 120.919 -2.019 1
1 1058 . 4 1 1 A 95 95 HIS H H 95 8.170 7.575 0.595 1
1 1059 . 4 1 1 A 95 95 HIS HA H 95 4.410 4.413 -0.003 1
1 1062 . 4 1 1 A 95 95 HIS CA C 95 57.000 56.003 0.997 1
1 1063 . 4 1 1 A 95 95 HIS CB C 95 30.000 29.956 0.044 1
1 9 . 5 1 1 A 2 2 ASP H H 2 8.560 7.655 0.905 1
1 10 . 5 1 1 A 2 2 ASP HA H 2 4.850 4.820 0.030 1
1 13 . 5 1 1 A 2 2 ASP CA C 2 52.200 52.885 -0.685 1
1 14 . 5 1 1 A 2 2 ASP CB C 2 40.900 39.759 1.141 1
1 15 . 5 1 1 A 2 2 ASP N N 2 123.000 120.702 2.298 1
1 16 . 5 1 1 A 3 3 PRO HA H 3 4.380 4.208 0.172 1
1 23 . 5 1 1 A 3 3 PRO CA C 3 63.500 65.372 -1.872 1
1 24 . 5 1 1 A 3 3 PRO CB C 3 32.100 31.669 0.431 1
1 27 . 5 1 1 A 4 4 GLU H H 4 8.410 8.447 -0.037 1
1 28 . 5 1 1 A 4 4 GLU HA H 4 4.250 4.140 0.110 1
1 33 . 5 1 1 A 4 4 GLU CA C 4 55.900 57.819 -1.919 1
1 34 . 5 1 1 A 4 4 GLU CB C 4 30.100 30.038 0.062 1
1 36 . 5 1 1 A 4 4 GLU N N 4 118.300 116.510 1.790 1
1 37 . 5 1 1 A 5 5 ASP H H 5 8.030 7.745 0.285 1
1 38 . 5 1 1 A 5 5 ASP HA H 5 4.730 4.713 0.017 1
1 41 . 5 1 1 A 5 5 ASP CA C 5 52.600 52.670 -0.070 1
1 42 . 5 1 1 A 5 5 ASP CB C 5 41.700 40.647 1.053 1
1 43 . 5 1 1 A 5 5 ASP N N 5 123.700 120.474 3.226 1
1 44 . 5 1 1 A 6 6 PRO HA H 6 3.940 4.269 -0.329 1
1 51 . 5 1 1 A 6 6 PRO CA C 6 64.900 65.214 -0.314 1
1 52 . 5 1 1 A 6 6 PRO CB C 6 31.000 31.408 -0.408 1
1 55 . 5 1 1 A 7 7 PHE H H 7 8.130 7.646 0.484 1
1 56 . 5 1 1 A 7 7 PHE HA H 7 4.220 4.227 -0.007 1
1 64 . 5 1 1 A 7 7 PHE CA C 7 60.800 61.611 -0.811 1
1 65 . 5 1 1 A 7 7 PHE CB C 7 38.300 39.430 -1.130 1
1 69 . 5 1 1 A 7 7 PHE N N 7 117.200 118.691 -1.491 1
1 70 . 5 1 1 A 8 8 THR H H 8 7.830 8.063 -0.233 1
1 71 . 5 1 1 A 8 8 THR HA H 8 3.710 3.921 -0.211 1
1 76 . 5 1 1 A 8 8 THR CA C 8 66.200 66.979 -0.779 1
1 77 . 5 1 1 A 8 8 THR CB C 8 68.300 68.739 -0.439 1
1 79 . 5 1 1 A 8 8 THR N N 8 115.700 115.382 0.318 1
1 80 . 5 1 1 A 9 9 ARG H H 9 7.300 8.230 -0.930 1
1 81 . 5 1 1 A 9 9 ARG HA H 9 3.840 4.046 -0.206 1
1 89 . 5 1 1 A 9 9 ARG CA C 9 59.700 58.720 0.980 1
1 90 . 5 1 1 A 9 9 ARG CB C 9 30.400 29.928 0.472 1
1 93 . 5 1 1 A 9 9 ARG N N 9 121.400 120.203 1.197 1
1 95 . 5 1 1 A 10 10 TYR H H 10 8.480 8.159 0.321 1
1 96 . 5 1 1 A 10 10 TYR HA H 10 3.800 4.100 -0.300 1
1 103 . 5 1 1 A 10 10 TYR CA C 10 61.400 61.513 -0.113 1
1 104 . 5 1 1 A 10 10 TYR CB C 10 38.300 38.681 -0.381 1
1 107 . 5 1 1 A 10 10 TYR N N 10 121.700 121.637 0.063 1
1 108 . 5 1 1 A 11 11 ALA H H 11 8.500 8.306 0.194 1
1 109 . 5 1 1 A 11 11 ALA HA H 11 3.700 3.624 0.076 1
1 113 . 5 1 1 A 11 11 ALA CA C 11 54.400 54.905 -0.505 1
1 114 . 5 1 1 A 11 11 ALA CB C 11 17.300 17.586 -0.286 1
1 115 . 5 1 1 A 11 11 ALA N N 11 121.700 121.511 0.189 1
1 116 . 5 1 1 A 12 12 LEU H H 12 7.690 8.135 -0.445 1
1 117 . 5 1 1 A 12 12 LEU HA H 12 3.920 3.889 0.031 1
1 127 . 5 1 1 A 12 12 LEU CA C 12 57.100 57.888 -0.788 1
1 128 . 5 1 1 A 12 12 LEU CB C 12 41.500 40.962 0.538 1
1 132 . 5 1 1 A 12 12 LEU N N 12 120.900 118.454 2.446 1
1 133 . 5 1 1 A 13 13 ALA H H 13 8.010 8.094 -0.084 1
1 134 . 5 1 1 A 13 13 ALA HA H 13 3.500 3.901 -0.401 1
1 138 . 5 1 1 A 13 13 ALA CA C 13 55.400 55.514 -0.114 1
1 139 . 5 1 1 A 13 13 ALA CB C 13 17.400 17.505 -0.105 1
1 140 . 5 1 1 A 13 13 ALA N N 13 123.000 121.298 1.702 1
1 141 . 5 1 1 A 14 14 GLN H H 14 7.660 7.795 -0.135 1
1 142 . 5 1 1 A 14 14 GLN HA H 14 3.910 4.057 -0.147 1
1 149 . 5 1 1 A 14 14 GLN CA C 14 58.200 58.525 -0.325 1
1 150 . 5 1 1 A 14 14 GLN CB C 14 27.700 28.214 -0.514 1
1 152 . 5 1 1 A 14 14 GLN N N 14 114.000 116.845 -2.845 1
1 154 . 5 1 1 A 15 15 GLU H H 15 7.900 7.916 -0.016 1
1 155 . 5 1 1 A 15 15 GLU HA H 15 3.900 4.010 -0.110 1
1 160 . 5 1 1 A 15 15 GLU CA C 15 58.800 59.416 -0.616 1
1 161 . 5 1 1 A 15 15 GLU CB C 15 28.600 29.617 -1.017 1
1 163 . 5 1 1 A 15 15 GLU N N 15 122.400 121.121 1.279 1
1 164 . 5 1 1 A 16 16 HIS H H 16 8.220 7.848 0.372 1
1 165 . 5 1 1 A 16 16 HIS HA H 16 4.520 4.470 0.050 1
1 170 . 5 1 1 A 16 16 HIS CA C 16 59.700 59.530 0.170 1
1 171 . 5 1 1 A 16 16 HIS CB C 16 29.600 29.776 -0.176 1
1 174 . 5 1 1 A 16 16 HIS N N 16 119.100 119.120 -0.020 1
1 175 . 5 1 1 A 17 17 LEU H H 17 8.090 8.326 -0.236 1
1 176 . 5 1 1 A 17 17 LEU HA H 17 3.870 3.838 0.032 1
1 186 . 5 1 1 A 17 17 LEU CA C 17 57.900 58.090 -0.190 1
1 187 . 5 1 1 A 17 17 LEU CB C 17 41.400 41.564 -0.164 1
1 191 . 5 1 1 A 17 17 LEU N N 17 120.500 120.005 0.495 1
1 192 . 5 1 1 A 18 18 LYS H H 18 7.960 7.912 0.048 1
1 193 . 5 1 1 A 18 18 LYS HA H 18 4.030 4.002 0.028 1
1 202 . 5 1 1 A 18 18 LYS CA C 18 58.400 58.648 -0.248 1
1 203 . 5 1 1 A 18 18 LYS CB C 18 31.800 32.224 -0.424 1
1 207 . 5 1 1 A 18 18 LYS N N 18 121.000 117.235 3.765 1
1 208 . 5 1 1 A 19 19 HIS H H 19 7.410 7.592 -0.182 1
1 209 . 5 1 1 A 19 19 HIS HA H 19 4.720 4.593 0.127 1
1 213 . 5 1 1 A 19 19 HIS CA C 19 54.700 55.679 -0.979 1
1 214 . 5 1 1 A 19 19 HIS CB C 19 28.500 29.717 -1.217 1
1 216 . 5 1 1 A 19 19 HIS N N 19 115.800 114.801 0.999 1
1 217 . 5 1 1 A 20 20 ASP H H 20 8.010 7.758 0.252 1
1 218 . 5 1 1 A 20 20 ASP HA H 20 4.370 4.293 0.077 1
1 221 . 5 1 1 A 20 20 ASP CA C 20 55.600 55.744 -0.144 1
1 222 . 5 1 1 A 20 20 ASP CB C 20 39.600 39.790 -0.190 1
1 223 . 5 1 1 A 20 20 ASP N N 20 115.900 115.247 0.653 1
1 224 . 5 1 1 A 21 21 ASN H H 21 8.450 8.574 -0.124 1
1 225 . 5 1 1 A 21 21 ASN HA H 21 5.130 5.053 0.077 1
1 230 . 5 1 1 A 21 21 ASN CA C 21 50.600 51.938 -1.338 1
1 231 . 5 1 1 A 21 21 ASN CB C 21 37.000 36.556 0.444 1
1 232 . 5 1 1 A 21 21 ASN N N 21 118.700 117.661 1.039 1
1 234 . 5 1 1 A 22 22 ALA H H 22 8.010 8.078 -0.068 1
1 235 . 5 1 1 A 22 22 ALA HA H 22 3.840 4.045 -0.205 1
1 239 . 5 1 1 A 22 22 ALA CA C 22 55.300 55.101 0.199 1
1 240 . 5 1 1 A 22 22 ALA CB C 22 18.300 18.357 -0.057 1
1 241 . 5 1 1 A 22 22 ALA N N 22 123.300 125.611 -2.311 1
1 242 . 5 1 1 A 23 23 SER H H 23 8.670 8.046 0.624 1
1 243 . 5 1 1 A 23 23 SER HA H 23 4.070 4.126 -0.056 1
1 246 . 5 1 1 A 23 23 SER CA C 23 61.800 61.323 0.477 1
1 247 . 5 1 1 A 23 23 SER CB C 23 61.900 63.033 -1.133 1
1 248 . 5 1 1 A 23 23 SER N N 23 112.500 113.002 -0.502 1
1 249 . 5 1 1 A 24 24 ARG H H 24 7.230 7.906 -0.676 1
1 250 . 5 1 1 A 24 24 ARG HA H 24 3.960 3.936 0.024 1
1 257 . 5 1 1 A 24 24 ARG CA C 24 57.000 59.369 -2.369 1
1 258 . 5 1 1 A 24 24 ARG CB C 24 29.100 29.950 -0.850 1
1 261 . 5 1 1 A 24 24 ARG N N 24 122.300 121.910 0.390 1
1 262 . 5 1 1 A 25 25 ALA H H 25 7.340 7.952 -0.612 1
1 263 . 5 1 1 A 25 25 ALA HA H 25 3.570 3.940 -0.370 1
1 267 . 5 1 1 A 25 25 ALA CA C 25 55.300 55.175 0.125 1
1 268 . 5 1 1 A 25 25 ALA CB C 25 18.700 18.025 0.675 1
1 269 . 5 1 1 A 25 25 ALA N N 25 120.200 121.681 -1.481 1
1 270 . 5 1 1 A 26 26 LEU H H 26 8.420 8.270 0.150 1
1 271 . 5 1 1 A 26 26 LEU HA H 26 3.800 4.256 -0.456 1
1 281 . 5 1 1 A 26 26 LEU CA C 26 58.300 57.922 0.378 1
1 282 . 5 1 1 A 26 26 LEU CB C 26 41.800 41.492 0.308 1
1 286 . 5 1 1 A 26 26 LEU N N 26 116.500 120.054 -3.554 1
1 287 . 5 1 1 A 27 27 ALA H H 27 7.190 8.349 -1.159 1
1 288 . 5 1 1 A 27 27 ALA HA H 27 4.120 4.003 0.117 1
1 292 . 5 1 1 A 27 27 ALA CA C 27 54.700 55.143 -0.443 1
1 293 . 5 1 1 A 27 27 ALA CB C 27 18.000 18.099 -0.099 1
1 294 . 5 1 1 A 27 27 ALA N N 27 118.200 120.817 -2.617 1
1 295 . 5 1 1 A 28 28 LEU H H 28 7.500 7.965 -0.465 1
1 296 . 5 1 1 A 28 28 LEU HA H 28 4.070 3.862 0.208 1
1 306 . 5 1 1 A 28 28 LEU CA C 28 57.600 57.696 -0.096 1
1 307 . 5 1 1 A 28 28 LEU CB C 28 43.100 42.083 1.017 1
1 311 . 5 1 1 A 28 28 LEU N N 28 118.300 118.920 -0.620 1
1 312 . 5 1 1 A 29 29 PHE H H 29 8.690 8.229 0.461 1
1 313 . 5 1 1 A 29 29 PHE HA H 29 4.630 4.398 0.232 1
1 321 . 5 1 1 A 29 29 PHE CA C 29 58.700 60.429 -1.729 1
1 322 . 5 1 1 A 29 29 PHE CB C 29 40.300 38.415 1.885 1
1 326 . 5 1 1 A 29 29 PHE N N 29 119.000 117.994 1.006 1
1 327 . 5 1 1 A 30 30 GLU H H 30 8.990 8.373 0.617 1
1 328 . 5 1 1 A 30 30 GLU HA H 30 3.790 3.877 -0.087 1
1 333 . 5 1 1 A 30 30 GLU CA C 30 60.100 60.205 -0.105 1
1 334 . 5 1 1 A 30 30 GLU CB C 30 29.100 29.137 -0.037 1
1 336 . 5 1 1 A 30 30 GLU N N 30 117.400 118.852 -1.452 1
1 337 . 5 1 1 A 31 31 GLU H H 31 7.830 8.150 -0.320 1
1 338 . 5 1 1 A 31 31 GLU HA H 31 4.160 4.143 0.017 1
1 343 . 5 1 1 A 31 31 GLU CA C 31 58.800 59.030 -0.230 1
1 344 . 5 1 1 A 31 31 GLU CB C 31 29.900 29.536 0.364 1
1 346 . 5 1 1 A 31 31 GLU N N 31 119.500 119.660 -0.160 1
1 347 . 5 1 1 A 32 32 LEU H H 32 7.920 8.382 -0.462 1
1 348 . 5 1 1 A 32 32 LEU HA H 32 4.130 4.046 0.084 1
1 358 . 5 1 1 A 32 32 LEU CA C 32 58.200 57.943 0.257 1
1 359 . 5 1 1 A 32 32 LEU CB C 32 43.000 41.970 1.030 1
1 363 . 5 1 1 A 32 32 LEU N N 32 122.000 120.559 1.441 1
1 364 . 5 1 1 A 33 33 VAL H H 33 7.460 7.959 -0.499 1
1 365 . 5 1 1 A 33 33 VAL HA H 33 3.590 3.461 0.129 1
1 373 . 5 1 1 A 33 33 VAL CA C 33 65.800 66.862 -1.062 1
1 374 . 5 1 1 A 33 33 VAL CB C 33 31.500 30.824 0.676 1
1 377 . 5 1 1 A 33 33 VAL N N 33 116.000 119.079 -3.079 1
1 378 . 5 1 1 A 34 34 GLU H H 34 7.210 8.067 -0.857 1
1 379 . 5 1 1 A 34 34 GLU HA H 34 4.130 4.089 0.041 1
1 384 . 5 1 1 A 34 34 GLU CA C 34 58.500 59.163 -0.663 1
1 385 . 5 1 1 A 34 34 GLU CB C 34 29.900 28.821 1.079 1
1 387 . 5 1 1 A 34 34 GLU N N 34 117.400 119.389 -1.989 1
1 388 . 5 1 1 A 35 35 THR H H 35 9.100 7.292 1.808 1
1 389 . 5 1 1 A 35 35 THR HA H 35 4.180 4.176 0.004 1
1 394 . 5 1 1 A 35 35 THR CA C 35 63.900 64.715 -0.815 1
1 395 . 5 1 1 A 35 35 THR CB C 35 69.300 68.973 0.327 1
1 397 . 5 1 1 A 35 35 THR N N 35 109.900 110.960 -1.060 1
1 398 . 5 1 1 A 36 36 ASP H H 36 8.630 8.177 0.453 1
1 399 . 5 1 1 A 36 36 ASP HA H 36 5.300 5.136 0.164 1
1 402 . 5 1 1 A 36 36 ASP CA C 36 52.700 51.559 1.141 1
1 403 . 5 1 1 A 36 36 ASP CB C 36 42.400 41.234 1.166 1
1 404 . 5 1 1 A 36 36 ASP N N 36 122.800 120.634 2.166 1
1 405 . 5 1 1 A 37 37 PRO HA H 37 4.560 4.591 -0.031 1
1 412 . 5 1 1 A 37 37 PRO CA C 37 64.400 64.385 0.015 1
1 413 . 5 1 1 A 37 37 PRO CB C 37 31.100 32.038 -0.938 1
1 416 . 5 1 1 A 38 38 ASP H H 38 8.630 8.522 0.108 1
1 417 . 5 1 1 A 38 38 ASP HA H 38 4.570 4.694 -0.124 1
1 420 . 5 1 1 A 38 38 ASP CA C 38 53.800 54.749 -0.949 1
1 421 . 5 1 1 A 38 38 ASP CB C 38 39.500 40.067 -0.567 1
1 422 . 5 1 1 A 38 38 ASP N N 38 113.700 116.228 -2.528 1
1 423 . 5 1 1 A 39 39 TYR H H 39 8.110 7.868 0.242 1
1 424 . 5 1 1 A 39 39 TYR HA H 39 4.540 4.765 -0.225 1
1 431 . 5 1 1 A 39 39 TYR CA C 39 58.500 56.436 2.064 1
1 432 . 5 1 1 A 39 39 TYR CB C 39 36.500 37.904 -1.404 1
1 435 . 5 1 1 A 39 39 TYR N N 39 123.700 121.957 1.743 1
1 436 . 5 1 1 A 40 40 VAL H H 40 7.880 7.889 -0.009 1
1 437 . 5 1 1 A 40 40 VAL HA H 40 3.770 3.815 -0.045 1
1 445 . 5 1 1 A 40 40 VAL CA C 40 65.000 66.377 -1.377 1
1 446 . 5 1 1 A 40 40 VAL CB C 40 32.500 31.608 0.892 1
1 449 . 5 1 1 A 40 40 VAL N N 40 128.100 125.914 2.186 1
1 450 . 5 1 1 A 41 41 GLY H H 41 7.530 7.894 -0.364 1
1 451 . 5 1 1 A 41 41 GLY HA2 H 41 3.410 3.380 0.030 1
1 452 . 5 1 1 A 41 41 GLY HA3 H 41 3.880 3.815 0.065 1
1 453 . 5 1 1 A 41 41 GLY CA C 41 46.400 46.946 -0.546 1
1 454 . 5 1 1 A 41 41 GLY N N 41 105.900 108.213 -2.313 1
1 455 . 5 1 1 A 42 42 THR H H 42 7.150 7.266 -0.116 1
1 456 . 5 1 1 A 42 42 THR HA H 42 3.580 4.143 -0.563 1
1 462 . 5 1 1 A 42 42 THR CA C 42 65.600 66.859 -1.259 1
1 463 . 5 1 1 A 42 42 THR CB C 42 68.900 68.547 0.353 1
1 465 . 5 1 1 A 42 42 THR N N 42 111.900 118.138 -6.238 1
1 466 . 5 1 1 A 43 43 TYR H H 43 7.040 8.506 -1.466 1
1 467 . 5 1 1 A 43 43 TYR HA H 43 3.460 4.230 -0.770 1
1 474 . 5 1 1 A 43 43 TYR CA C 43 64.100 60.457 3.643 1
1 475 . 5 1 1 A 43 43 TYR CB C 43 38.300 38.403 -0.103 1
1 478 . 5 1 1 A 43 43 TYR N N 43 113.500 120.877 -7.377 1
1 479 . 5 1 1 A 44 44 TYR H H 44 9.770 8.112 1.658 1
1 480 . 5 1 1 A 44 44 TYR HA H 44 3.990 4.391 -0.401 1
1 487 . 5 1 1 A 44 44 TYR CA C 44 61.900 62.116 -0.216 1
1 488 . 5 1 1 A 44 44 TYR CB C 44 38.800 38.776 0.024 1
1 491 . 5 1 1 A 44 44 TYR N N 44 119.800 120.528 -0.728 1
1 492 . 5 1 1 A 45 45 HIS H H 45 6.380 8.254 -1.874 1
1 493 . 5 1 1 A 45 45 HIS HA H 45 3.770 4.326 -0.556 1
1 498 . 5 1 1 A 45 45 HIS CA C 45 58.500 59.560 -1.060 1
1 499 . 5 1 1 A 45 45 HIS CB C 45 31.600 30.394 1.206 1
1 502 . 5 1 1 A 45 45 HIS N N 45 114.500 117.241 -2.741 1
1 503 . 5 1 1 A 46 46 LEU H H 46 8.360 8.411 -0.051 1
1 504 . 5 1 1 A 46 46 LEU HA H 46 3.660 3.209 0.451 1
1 514 . 5 1 1 A 46 46 LEU CA C 46 57.100 57.414 -0.314 1
1 515 . 5 1 1 A 46 46 LEU CB C 46 40.800 41.562 -0.762 1
1 519 . 5 1 1 A 46 46 LEU N N 46 121.100 120.811 0.289 1
1 520 . 5 1 1 A 47 47 GLY H H 47 8.440 8.311 0.129 1
1 521 . 5 1 1 A 47 47 GLY HA2 H 47 3.350 3.004 0.346 1
1 522 . 5 1 1 A 47 47 GLY HA3 H 47 3.530 3.594 -0.064 1
1 523 . 5 1 1 A 47 47 GLY CA C 47 47.200 46.761 0.439 1
1 524 . 5 1 1 A 47 47 GLY N N 47 106.500 106.613 -0.113 1
1 525 . 5 1 1 A 48 48 LYS H H 48 7.970 7.551 0.419 1
1 526 . 5 1 1 A 48 48 LYS HA H 48 3.800 3.945 -0.145 1
1 535 . 5 1 1 A 48 48 LYS CA C 48 58.200 59.352 -1.152 1
1 536 . 5 1 1 A 48 48 LYS CB C 48 31.600 32.165 -0.565 1
1 540 . 5 1 1 A 48 48 LYS N N 48 120.500 121.850 -1.350 1
1 541 . 5 1 1 A 49 49 LEU H H 49 7.800 7.343 0.457 1
1 542 . 5 1 1 A 49 49 LEU HA H 49 4.170 3.876 0.294 1
1 552 . 5 1 1 A 49 49 LEU CA C 49 57.500 57.388 0.112 1
1 553 . 5 1 1 A 49 49 LEU CB C 49 41.000 41.600 -0.600 1
1 557 . 5 1 1 A 49 49 LEU N N 49 124.000 120.849 3.151 1
1 558 . 5 1 1 A 50 50 TYR H H 50 8.610 7.892 0.718 1
1 559 . 5 1 1 A 50 50 TYR HA H 50 4.420 4.207 0.213 1
1 566 . 5 1 1 A 50 50 TYR CA C 50 59.600 60.704 -1.104 1
1 567 . 5 1 1 A 50 50 TYR CB C 50 35.600 37.376 -1.776 1
1 570 . 5 1 1 A 50 50 TYR N N 50 119.000 118.626 0.374 1
1 571 . 5 1 1 A 51 51 GLU H H 51 8.410 8.589 -0.179 1
1 572 . 5 1 1 A 51 51 GLU HA H 51 3.760 3.904 -0.144 1
1 577 . 5 1 1 A 51 51 GLU CA C 51 61.600 59.961 1.639 1
1 578 . 5 1 1 A 51 51 GLU CB C 51 29.800 29.388 0.412 1
1 580 . 5 1 1 A 51 51 GLU N N 51 118.600 118.494 0.106 1
1 581 . 5 1 1 A 52 52 ARG H H 52 7.910 8.017 -0.107 1
1 582 . 5 1 1 A 52 52 ARG HA H 52 4.150 4.120 0.030 1
1 589 . 5 1 1 A 52 52 ARG CA C 52 58.600 58.743 -0.143 1
1 590 . 5 1 1 A 52 52 ARG CB C 52 29.600 30.128 -0.528 1
1 593 . 5 1 1 A 52 52 ARG N N 52 122.200 120.564 1.636 1
1 594 . 5 1 1 A 53 53 LEU H H 53 7.740 7.849 -0.109 1
1 595 . 5 1 1 A 53 53 LEU HA H 53 4.400 4.380 0.020 1
1 605 . 5 1 1 A 53 53 LEU CA C 53 54.100 54.737 -0.637 1
1 606 . 5 1 1 A 53 53 LEU CB C 53 41.400 41.853 -0.453 1
1 610 . 5 1 1 A 53 53 LEU N N 53 119.400 118.108 1.292 1
1 611 . 5 1 1 A 54 54 ASP H H 54 8.090 8.024 0.066 1
1 612 . 5 1 1 A 54 54 ASP HA H 54 4.410 4.286 0.124 1
1 615 . 5 1 1 A 54 54 ASP CA C 54 55.500 55.582 -0.082 1
1 616 . 5 1 1 A 54 54 ASP CB C 54 38.900 40.658 -1.758 1
1 617 . 5 1 1 A 54 54 ASP N N 54 116.300 118.231 -1.931 1
1 618 . 5 1 1 A 55 55 ARG H H 55 8.420 8.316 0.104 1
1 619 . 5 1 1 A 55 55 ARG HA H 55 4.680 4.622 0.058 1
1 627 . 5 1 1 A 55 55 ARG CA C 55 54.000 54.621 -0.621 1
1 628 . 5 1 1 A 55 55 ARG CB C 55 29.800 28.219 1.581 1
1 631 . 5 1 1 A 55 55 ARG N N 55 120.800 120.382 0.418 1
1 633 . 5 1 1 A 56 56 THR H H 56 7.870 7.886 -0.016 1
1 634 . 5 1 1 A 56 56 THR HA H 56 3.510 3.768 -0.258 1
1 639 . 5 1 1 A 56 56 THR CA C 56 67.500 67.326 0.174 1
1 640 . 5 1 1 A 56 56 THR CB C 56 68.000 68.562 -0.562 1
1 642 . 5 1 1 A 56 56 THR N N 56 117.300 116.075 1.225 1
1 643 . 5 1 1 A 57 57 ASP H H 57 8.450 8.235 0.215 1
1 644 . 5 1 1 A 57 57 ASP HA H 57 4.260 4.391 -0.131 1
1 647 . 5 1 1 A 57 57 ASP CA C 57 57.900 57.436 0.464 1
1 648 . 5 1 1 A 57 57 ASP CB C 57 39.100 40.199 -1.099 1
1 649 . 5 1 1 A 57 57 ASP N N 57 120.300 119.947 0.353 1
1 650 . 5 1 1 A 58 58 ASP H H 58 7.540 7.900 -0.360 1
1 651 . 5 1 1 A 58 58 ASP HA H 58 4.170 4.172 -0.002 1
1 654 . 5 1 1 A 58 58 ASP CA C 58 56.900 57.272 -0.372 1
1 655 . 5 1 1 A 58 58 ASP CB C 58 38.400 40.128 -1.728 1
1 656 . 5 1 1 A 58 58 ASP N N 58 120.200 120.393 -0.193 1
1 657 . 5 1 1 A 59 59 ALA H H 59 8.110 7.777 0.333 1
1 658 . 5 1 1 A 59 59 ALA HA H 59 3.760 4.017 -0.257 1
1 662 . 5 1 1 A 59 59 ALA CA C 59 56.000 55.085 0.915 1
1 663 . 5 1 1 A 59 59 ALA CB C 59 19.200 18.278 0.922 1
1 664 . 5 1 1 A 59 59 ALA N N 59 124.700 122.232 2.468 1
1 665 . 5 1 1 A 60 60 ILE H H 60 8.230 8.132 0.098 1
1 666 . 5 1 1 A 60 60 ILE HA H 60 3.520 3.809 -0.289 1
1 676 . 5 1 1 A 60 60 ILE CA C 60 66.800 65.582 1.218 1
1 677 . 5 1 1 A 60 60 ILE CB C 60 38.400 37.815 0.585 1
1 681 . 5 1 1 A 60 60 ILE N N 60 117.600 118.759 -1.159 1
1 682 . 5 1 1 A 61 61 ASP H H 61 7.750 7.975 -0.225 1
1 683 . 5 1 1 A 61 61 ASP HA H 61 4.440 4.281 0.159 1
1 686 . 5 1 1 A 61 61 ASP CA C 61 57.100 57.472 -0.372 1
1 687 . 5 1 1 A 61 61 ASP CB C 61 40.500 41.112 -0.612 1
1 688 . 5 1 1 A 61 61 ASP N N 61 118.300 120.482 -2.182 1
1 689 . 5 1 1 A 62 62 THR H H 62 8.040 7.747 0.293 1
1 690 . 5 1 1 A 62 62 THR HA H 62 4.070 4.061 0.009 1
1 695 . 5 1 1 A 62 62 THR CA C 62 68.000 66.573 1.427 1
1 696 . 5 1 1 A 62 62 THR CB C 62 68.600 68.595 0.005 1
1 698 . 5 1 1 A 62 62 THR N N 62 119.800 116.086 3.714 1
1 699 . 5 1 1 A 63 63 TYR H H 63 8.970 8.327 0.643 1
1 700 . 5 1 1 A 63 63 TYR HA H 63 4.480 4.450 0.030 1
1 707 . 5 1 1 A 63 63 TYR CA C 63 59.200 61.101 -1.901 1
1 708 . 5 1 1 A 63 63 TYR CB C 63 37.700 37.310 0.390 1
1 711 . 5 1 1 A 63 63 TYR N N 63 121.700 120.625 1.075 1
1 712 . 5 1 1 A 64 64 ALA H H 64 8.690 8.365 0.325 1
1 713 . 5 1 1 A 64 64 ALA HA H 64 4.000 4.072 -0.072 1
1 717 . 5 1 1 A 64 64 ALA CA C 64 55.500 55.376 0.124 1
1 718 . 5 1 1 A 64 64 ALA CB C 64 17.800 18.149 -0.349 1
1 719 . 5 1 1 A 64 64 ALA N N 64 119.400 122.665 -3.265 1
1 720 . 5 1 1 A 65 65 GLN H H 65 8.100 8.283 -0.183 1
1 721 . 5 1 1 A 65 65 GLN HA H 65 4.010 4.287 -0.277 1
1 728 . 5 1 1 A 65 65 GLN CA C 65 58.600 58.990 -0.390 1
1 729 . 5 1 1 A 65 65 GLN CB C 65 28.500 28.407 0.093 1
1 731 . 5 1 1 A 65 65 GLN N N 65 119.600 117.836 1.764 1
1 733 . 5 1 1 A 66 66 GLY H H 66 8.430 8.087 0.343 1
1 734 . 5 1 1 A 66 66 GLY HA2 H 66 3.080 2.752 0.328 1
1 735 . 5 1 1 A 66 66 GLY HA3 H 66 2.520 3.445 -0.925 1
1 736 . 5 1 1 A 66 66 GLY CA C 66 46.800 46.893 -0.093 1
1 737 . 5 1 1 A 66 66 GLY N N 66 108.200 107.372 0.828 1
1 738 . 5 1 1 A 67 67 ILE H H 67 8.570 8.596 -0.026 1
1 739 . 5 1 1 A 67 67 ILE HA H 67 3.320 3.811 -0.491 1
1 749 . 5 1 1 A 67 67 ILE CA C 67 65.900 64.235 1.665 1
1 750 . 5 1 1 A 67 67 ILE CB C 67 38.400 37.344 1.056 1
1 754 . 5 1 1 A 67 67 ILE N N 67 123.500 122.452 1.048 1
1 755 . 5 1 1 A 68 68 GLU H H 68 7.030 7.892 -0.862 1
1 756 . 5 1 1 A 68 68 GLU HA H 68 3.960 4.047 -0.087 1
1 761 . 5 1 1 A 68 68 GLU CA C 68 58.700 59.281 -0.581 1
1 762 . 5 1 1 A 68 68 GLU CB C 68 28.500 29.226 -0.726 1
1 764 . 5 1 1 A 68 68 GLU N N 68 116.500 119.506 -3.006 1
1 765 . 5 1 1 A 69 69 VAL H H 69 7.440 7.417 0.023 1
1 766 . 5 1 1 A 69 69 VAL HA H 69 3.740 3.878 -0.138 1
1 774 . 5 1 1 A 69 69 VAL CA C 69 65.700 64.576 1.124 1
1 775 . 5 1 1 A 69 69 VAL CB C 69 32.000 31.231 0.769 1
1 778 . 5 1 1 A 69 69 VAL N N 69 119.500 115.728 3.772 1
1 779 . 5 1 1 A 70 70 ALA H H 70 9.290 8.296 0.994 1
1 780 . 5 1 1 A 70 70 ALA HA H 70 3.820 3.978 -0.158 1
1 784 . 5 1 1 A 70 70 ALA CA C 70 54.400 55.571 -1.171 1
1 785 . 5 1 1 A 70 70 ALA CB C 70 18.000 17.975 0.025 1
1 786 . 5 1 1 A 70 70 ALA N N 70 122.500 124.045 -1.545 1
1 787 . 5 1 1 A 71 71 ARG H H 71 8.280 7.853 0.427 1
1 788 . 5 1 1 A 71 71 ARG HA H 71 3.870 4.069 -0.199 1
1 796 . 5 1 1 A 71 71 ARG CA C 71 59.500 58.529 0.971 1
1 797 . 5 1 1 A 71 71 ARG CB C 71 30.000 29.786 0.214 1
1 800 . 5 1 1 A 71 71 ARG N N 71 116.900 116.709 0.191 1
1 802 . 5 1 1 A 72 72 GLU H H 72 7.390 7.696 -0.306 1
1 803 . 5 1 1 A 72 72 GLU HA H 72 4.300 4.178 0.122 1
1 808 . 5 1 1 A 72 72 GLU CA C 72 57.700 58.812 -1.112 1
1 809 . 5 1 1 A 72 72 GLU CB C 72 30.500 30.419 0.081 1
1 811 . 5 1 1 A 72 72 GLU N N 72 116.800 119.069 -2.269 1
1 812 . 5 1 1 A 73 73 GLU H H 73 8.490 8.486 0.004 1
1 813 . 5 1 1 A 73 73 GLU HA H 73 4.550 4.358 0.192 1
1 818 . 5 1 1 A 73 73 GLU CA C 73 55.900 57.920 -2.020 1
1 819 . 5 1 1 A 73 73 GLU CB C 73 30.800 30.127 0.673 1
1 821 . 5 1 1 A 73 73 GLU N N 73 115.000 117.578 -2.578 1
1 822 . 5 1 1 A 74 74 GLY H H 74 8.070 7.555 0.515 1
1 823 . 5 1 1 A 74 74 GLY HA2 H 74 4.450 3.902 0.548 1
1 824 . 5 1 1 A 74 74 GLY HA3 H 74 3.830 3.912 -0.082 1
1 825 . 5 1 1 A 74 74 GLY CA C 74 44.600 44.772 -0.172 1
1 826 . 5 1 1 A 74 74 GLY N N 74 108.100 109.392 -1.292 1
1 827 . 5 1 1 A 75 75 THR H H 75 8.760 7.801 0.959 1
1 828 . 5 1 1 A 75 75 THR HA H 75 4.670 4.707 -0.037 1
1 833 . 5 1 1 A 75 75 THR CA C 75 59.000 60.663 -1.663 1
1 834 . 5 1 1 A 75 75 THR CB C 75 70.900 69.820 1.080 1
1 836 . 5 1 1 A 75 75 THR N N 75 111.400 114.840 -3.440 1
1 837 . 5 1 1 A 76 76 GLN H H 76 8.710 8.778 -0.068 1
1 838 . 5 1 1 A 76 76 GLN HA H 76 3.940 3.953 -0.013 1
1 845 . 5 1 1 A 76 76 GLN CA C 76 58.700 59.113 -0.413 1
1 846 . 5 1 1 A 76 76 GLN CB C 76 27.900 28.303 -0.403 1
1 848 . 5 1 1 A 76 76 GLN N N 76 123.100 125.035 -1.935 1
1 850 . 5 1 1 A 77 77 LYS H H 77 8.240 7.685 0.555 1
1 851 . 5 1 1 A 77 77 LYS HA H 77 4.000 4.040 -0.040 1
1 860 . 5 1 1 A 77 77 LYS CA C 77 59.200 59.652 -0.452 1
1 861 . 5 1 1 A 77 77 LYS CB C 77 31.900 32.033 -0.133 1
1 865 . 5 1 1 A 77 77 LYS N N 77 121.000 118.759 2.241 1
1 866 . 5 1 1 A 78 78 ASP H H 78 7.390 8.251 -0.861 1
1 867 . 5 1 1 A 78 78 ASP HA H 78 4.170 4.352 -0.182 1
1 870 . 5 1 1 A 78 78 ASP CA C 78 57.000 57.211 -0.211 1
1 871 . 5 1 1 A 78 78 ASP CB C 78 41.400 40.373 1.027 1
1 872 . 5 1 1 A 78 78 ASP N N 78 117.800 119.938 -2.138 1
1 873 . 5 1 1 A 79 79 LEU H H 79 7.690 8.058 -0.368 1
1 874 . 5 1 1 A 79 79 LEU HA H 79 3.770 4.092 -0.322 1
1 884 . 5 1 1 A 79 79 LEU CA C 79 58.100 57.924 0.176 1
1 885 . 5 1 1 A 79 79 LEU CB C 79 42.100 41.287 0.813 1
1 889 . 5 1 1 A 79 79 LEU N N 79 118.400 122.756 -4.356 1
1 890 . 5 1 1 A 80 80 SER H H 80 8.400 8.164 0.236 1
1 891 . 5 1 1 A 80 80 SER HA H 80 4.170 4.150 0.020 1
1 894 . 5 1 1 A 80 80 SER CA C 80 61.500 61.175 0.325 1
1 895 . 5 1 1 A 80 80 SER CB C 80 62.500 62.830 -0.330 1
1 896 . 5 1 1 A 80 80 SER N N 80 114.000 114.622 -0.622 1
1 897 . 5 1 1 A 81 81 GLU H H 81 7.930 7.692 0.238 1
1 898 . 5 1 1 A 81 81 GLU HA H 81 4.030 4.114 -0.084 1
1 903 . 5 1 1 A 81 81 GLU CA C 81 59.000 59.267 -0.267 1
1 904 . 5 1 1 A 81 81 GLU CB C 81 29.000 29.219 -0.219 1
1 906 . 5 1 1 A 81 81 GLU N N 81 121.000 122.287 -1.287 1
1 907 . 5 1 1 A 82 82 LEU H H 82 7.870 8.423 -0.553 1
1 908 . 5 1 1 A 82 82 LEU HA H 82 3.890 3.978 -0.088 1
1 918 . 5 1 1 A 82 82 LEU CA C 82 57.900 58.028 -0.128 1
1 919 . 5 1 1 A 82 82 LEU CB C 82 43.900 41.422 2.478 1
1 923 . 5 1 1 A 82 82 LEU N N 82 120.900 120.040 0.860 1
1 924 . 5 1 1 A 83 83 GLN H H 83 8.520 8.000 0.520 1
1 925 . 5 1 1 A 83 83 GLN HA H 83 3.900 3.970 -0.070 1
1 932 . 5 1 1 A 83 83 GLN CA C 83 59.200 59.024 0.176 1
1 933 . 5 1 1 A 83 83 GLN CB C 83 28.300 28.408 -0.108 1
1 935 . 5 1 1 A 83 83 GLN N N 83 118.300 118.509 -0.209 1
1 937 . 5 1 1 A 84 84 ASP H H 84 8.140 8.405 -0.265 1
1 938 . 5 1 1 A 84 84 ASP HA H 84 4.340 4.374 -0.034 1
1 941 . 5 1 1 A 84 84 ASP CA C 84 57.100 57.551 -0.451 1
1 942 . 5 1 1 A 84 84 ASP CB C 84 41.000 41.632 -0.632 1
1 943 . 5 1 1 A 84 84 ASP N N 84 119.700 119.479 0.221 1
1 944 . 5 1 1 A 85 85 ALA H H 85 7.740 8.095 -0.355 1
1 945 . 5 1 1 A 85 85 ALA HA H 85 3.810 3.796 0.014 1
1 949 . 5 1 1 A 85 85 ALA CA C 85 54.600 55.156 -0.556 1
1 950 . 5 1 1 A 85 85 ALA CB C 85 16.200 17.745 -1.545 1
1 951 . 5 1 1 A 85 85 ALA N N 85 121.600 121.484 0.116 1
1 952 . 5 1 1 A 86 86 LYS H H 86 8.070 7.667 0.403 1
1 953 . 5 1 1 A 86 86 LYS HA H 86 3.810 4.058 -0.248 1
1 962 . 5 1 1 A 86 86 LYS CA C 86 60.600 58.983 1.617 1
1 963 . 5 1 1 A 86 86 LYS CB C 86 33.300 31.607 1.693 1
1 967 . 5 1 1 A 86 86 LYS N N 86 120.200 116.579 3.621 1
1 968 . 5 1 1 A 87 87 LEU H H 87 7.780 7.722 0.058 1
1 969 . 5 1 1 A 87 87 LEU HA H 87 4.160 3.983 0.177 1
1 979 . 5 1 1 A 87 87 LEU CA C 87 57.500 57.902 -0.402 1
1 980 . 5 1 1 A 87 87 LEU CB C 87 41.900 41.957 -0.057 1
1 984 . 5 1 1 A 87 87 LEU N N 87 118.400 121.297 -2.897 1
1 985 . 5 1 1 A 88 88 LYS H H 88 7.900 8.185 -0.285 1
1 986 . 5 1 1 A 88 88 LYS HA H 88 3.960 4.003 -0.043 1
1 995 . 5 1 1 A 88 88 LYS CA C 88 59.200 58.782 0.418 1
1 996 . 5 1 1 A 88 88 LYS CB C 88 32.000 31.686 0.314 1
1 1000 . 5 1 1 A 88 88 LYS N N 88 118.700 117.389 1.311 1
1 1001 . 5 1 1 A 89 89 ALA H H 89 8.000 7.815 0.185 1
1 1002 . 5 1 1 A 89 89 ALA HA H 89 4.150 4.051 0.099 1
1 1006 . 5 1 1 A 89 89 ALA CA C 89 54.500 54.990 -0.490 1
1 1007 . 5 1 1 A 89 89 ALA CB C 89 17.800 18.615 -0.815 1
1 1008 . 5 1 1 A 89 89 ALA N N 89 122.400 122.150 0.250 1
1 1009 . 5 1 1 A 90 90 GLU H H 90 8.300 7.694 0.606 1
1 1010 . 5 1 1 A 90 90 GLU HA H 90 3.930 3.863 0.067 1
1 1015 . 5 1 1 A 90 90 GLU CA C 90 58.000 58.897 -0.897 1
1 1016 . 5 1 1 A 90 90 GLU CB C 90 29.700 29.516 0.184 1
1 1018 . 5 1 1 A 90 90 GLU N N 90 116.700 116.963 -0.263 1
1 1019 . 5 1 1 A 91 91 GLY H H 91 7.710 8.337 -0.627 1
1 1020 . 5 1 1 A 91 91 GLY HA2 H 91 4.070 3.799 0.271 1
1 1021 . 5 1 1 A 91 91 GLY HA3 H 91 3.870 3.820 0.050 1
1 1022 . 5 1 1 A 91 91 GLY CA C 91 45.500 46.601 -1.101 1
1 1023 . 5 1 1 A 91 91 GLY N N 91 106.000 109.665 -3.665 1
1 1024 . 5 1 1 A 92 92 LEU H H 92 7.640 7.186 0.454 1
1 1025 . 5 1 1 A 92 92 LEU HA H 92 4.270 3.964 0.306 1
1 1035 . 5 1 1 A 92 92 LEU CA C 92 55.200 57.845 -2.645 1
1 1036 . 5 1 1 A 92 92 LEU CB C 92 42.100 42.097 0.003 1
1 1040 . 5 1 1 A 92 92 LEU N N 92 121.200 122.296 -1.096 1
1 1041 . 5 1 1 A 93 93 GLU H H 93 8.290 7.641 0.649 1
1 1042 . 5 1 1 A 93 93 GLU HA H 93 4.130 4.599 -0.469 1
1 1047 . 5 1 1 A 93 93 GLU CA C 93 56.700 55.332 1.368 1
1 1048 . 5 1 1 A 93 93 GLU CB C 93 29.700 30.840 -1.140 1
1 1050 . 5 1 1 A 93 93 GLU N N 93 120.200 113.743 6.457 1
1 1051 . 5 1 1 A 94 94 HIS H H 94 8.260 8.633 -0.373 1
1 1052 . 5 1 1 A 94 94 HIS HA H 94 4.560 4.510 0.050 1
1 1055 . 5 1 1 A 94 94 HIS CA C 94 55.400 56.913 -1.513 1
1 1056 . 5 1 1 A 94 94 HIS CB C 94 29.700 30.544 -0.844 1
1 1057 . 5 1 1 A 94 94 HIS N N 94 118.900 115.793 3.107 1
1 1058 . 5 1 1 A 95 95 HIS H H 95 8.170 7.177 0.993 1
1 1059 . 5 1 1 A 95 95 HIS HA H 95 4.410 4.491 -0.081 1
1 1062 . 5 1 1 A 95 95 HIS CA C 95 57.000 54.159 2.841 1
1 1063 . 5 1 1 A 95 95 HIS CB C 95 30.000 28.577 1.423 1
1 9 . 6 1 1 A 2 2 ASP H H 2 8.560 8.630 -0.070 1
1 10 . 6 1 1 A 2 2 ASP HA H 2 4.850 5.133 -0.283 1
1 13 . 6 1 1 A 2 2 ASP CA C 2 52.200 50.936 1.264 1
1 14 . 6 1 1 A 2 2 ASP CB C 2 40.900 41.602 -0.702 1
1 15 . 6 1 1 A 2 2 ASP N N 2 123.000 125.355 -2.355 1
1 16 . 6 1 1 A 3 3 PRO HA H 3 4.380 4.224 0.156 1
1 23 . 6 1 1 A 3 3 PRO CA C 3 63.500 64.973 -1.473 1
1 24 . 6 1 1 A 3 3 PRO CB C 3 32.100 31.839 0.261 1
1 27 . 6 1 1 A 4 4 GLU H H 4 8.410 8.752 -0.342 1
1 28 . 6 1 1 A 4 4 GLU HA H 4 4.250 4.109 0.141 1
1 33 . 6 1 1 A 4 4 GLU CA C 4 55.900 57.828 -1.928 1
1 34 . 6 1 1 A 4 4 GLU CB C 4 30.100 29.664 0.436 1
1 36 . 6 1 1 A 4 4 GLU N N 4 118.300 117.337 0.963 1
1 37 . 6 1 1 A 5 5 ASP H H 5 8.030 7.559 0.471 1
1 38 . 6 1 1 A 5 5 ASP HA H 5 4.730 4.754 -0.024 1
1 41 . 6 1 1 A 5 5 ASP CA C 5 52.600 52.501 0.099 1
1 42 . 6 1 1 A 5 5 ASP CB C 5 41.700 40.590 1.110 1
1 43 . 6 1 1 A 5 5 ASP N N 5 123.700 120.586 3.114 1
1 44 . 6 1 1 A 6 6 PRO HA H 6 3.940 4.173 -0.233 1
1 51 . 6 1 1 A 6 6 PRO CA C 6 64.900 65.228 -0.328 1
1 52 . 6 1 1 A 6 6 PRO CB C 6 31.000 31.476 -0.476 1
1 55 . 6 1 1 A 7 7 PHE H H 7 8.130 7.644 0.486 1
1 56 . 6 1 1 A 7 7 PHE HA H 7 4.220 4.024 0.196 1
1 64 . 6 1 1 A 7 7 PHE CA C 7 60.800 61.636 -0.836 1
1 65 . 6 1 1 A 7 7 PHE CB C 7 38.300 39.602 -1.302 1
1 69 . 6 1 1 A 7 7 PHE N N 7 117.200 118.731 -1.531 1
1 70 . 6 1 1 A 8 8 THR H H 8 7.830 8.321 -0.491 1
1 71 . 6 1 1 A 8 8 THR HA H 8 3.710 3.852 -0.142 1
1 76 . 6 1 1 A 8 8 THR CA C 8 66.200 66.765 -0.565 1
1 77 . 6 1 1 A 8 8 THR CB C 8 68.300 68.652 -0.352 1
1 79 . 6 1 1 A 8 8 THR N N 8 115.700 114.765 0.935 1
1 80 . 6 1 1 A 9 9 ARG H H 9 7.300 8.228 -0.928 1
1 81 . 6 1 1 A 9 9 ARG HA H 9 3.840 3.974 -0.134 1
1 89 . 6 1 1 A 9 9 ARG CA C 9 59.700 58.680 1.020 1
1 90 . 6 1 1 A 9 9 ARG CB C 9 30.400 30.008 0.392 1
1 93 . 6 1 1 A 9 9 ARG N N 9 121.400 119.856 1.544 1
1 95 . 6 1 1 A 10 10 TYR H H 10 8.480 8.050 0.430 1
1 96 . 6 1 1 A 10 10 TYR HA H 10 3.800 3.905 -0.105 1
1 103 . 6 1 1 A 10 10 TYR CA C 10 61.400 61.592 -0.192 1
1 104 . 6 1 1 A 10 10 TYR CB C 10 38.300 38.417 -0.117 1
1 107 . 6 1 1 A 10 10 TYR N N 10 121.700 121.522 0.178 1
1 108 . 6 1 1 A 11 11 ALA H H 11 8.500 8.115 0.385 1
1 109 . 6 1 1 A 11 11 ALA HA H 11 3.700 3.646 0.054 1
1 113 . 6 1 1 A 11 11 ALA CA C 11 54.400 54.847 -0.447 1
1 114 . 6 1 1 A 11 11 ALA CB C 11 17.300 17.758 -0.458 1
1 115 . 6 1 1 A 11 11 ALA N N 11 121.700 121.423 0.277 1
1 116 . 6 1 1 A 12 12 LEU H H 12 7.690 7.825 -0.135 1
1 117 . 6 1 1 A 12 12 LEU HA H 12 3.920 3.843 0.077 1
1 127 . 6 1 1 A 12 12 LEU CA C 12 57.100 57.833 -0.733 1
1 128 . 6 1 1 A 12 12 LEU CB C 12 41.500 41.346 0.154 1
1 132 . 6 1 1 A 12 12 LEU N N 12 120.900 118.212 2.688 1
1 133 . 6 1 1 A 13 13 ALA H H 13 8.010 7.929 0.081 1
1 134 . 6 1 1 A 13 13 ALA HA H 13 3.500 3.917 -0.417 1
1 138 . 6 1 1 A 13 13 ALA CA C 13 55.400 55.433 -0.033 1
1 139 . 6 1 1 A 13 13 ALA CB C 13 17.400 17.532 -0.132 1
1 140 . 6 1 1 A 13 13 ALA N N 13 123.000 121.652 1.348 1
1 141 . 6 1 1 A 14 14 GLN H H 14 7.660 7.859 -0.199 1
1 142 . 6 1 1 A 14 14 GLN HA H 14 3.910 4.001 -0.091 1
1 149 . 6 1 1 A 14 14 GLN CA C 14 58.200 58.706 -0.506 1
1 150 . 6 1 1 A 14 14 GLN CB C 14 27.700 28.390 -0.690 1
1 152 . 6 1 1 A 14 14 GLN N N 14 114.000 116.777 -2.777 1
1 154 . 6 1 1 A 15 15 GLU H H 15 7.900 7.783 0.117 1
1 155 . 6 1 1 A 15 15 GLU HA H 15 3.900 3.849 0.051 1
1 160 . 6 1 1 A 15 15 GLU CA C 15 58.800 59.177 -0.377 1
1 161 . 6 1 1 A 15 15 GLU CB C 15 28.600 29.494 -0.894 1
1 163 . 6 1 1 A 15 15 GLU N N 15 122.400 121.023 1.377 1
1 164 . 6 1 1 A 16 16 HIS H H 16 8.220 8.057 0.163 1
1 165 . 6 1 1 A 16 16 HIS HA H 16 4.520 4.444 0.076 1
1 170 . 6 1 1 A 16 16 HIS CA C 16 59.700 58.915 0.785 1
1 171 . 6 1 1 A 16 16 HIS CB C 16 29.600 29.823 -0.223 1
1 174 . 6 1 1 A 16 16 HIS N N 16 119.100 118.940 0.160 1
1 175 . 6 1 1 A 17 17 LEU H H 17 8.090 8.189 -0.099 1
1 176 . 6 1 1 A 17 17 LEU HA H 17 3.870 3.824 0.046 1
1 186 . 6 1 1 A 17 17 LEU CA C 17 57.900 58.222 -0.322 1
1 187 . 6 1 1 A 17 17 LEU CB C 17 41.400 41.658 -0.258 1
1 191 . 6 1 1 A 17 17 LEU N N 17 120.500 119.997 0.503 1
1 192 . 6 1 1 A 18 18 LYS H H 18 7.960 7.746 0.214 1
1 193 . 6 1 1 A 18 18 LYS HA H 18 4.030 3.937 0.093 1
1 202 . 6 1 1 A 18 18 LYS CA C 18 58.400 58.586 -0.186 1
1 203 . 6 1 1 A 18 18 LYS CB C 18 31.800 31.991 -0.191 1
1 207 . 6 1 1 A 18 18 LYS N N 18 121.000 117.169 3.831 1
1 208 . 6 1 1 A 19 19 HIS H H 19 7.410 7.572 -0.162 1
1 209 . 6 1 1 A 19 19 HIS HA H 19 4.720 4.606 0.114 1
1 213 . 6 1 1 A 19 19 HIS CA C 19 54.700 55.639 -0.939 1
1 214 . 6 1 1 A 19 19 HIS CB C 19 28.500 29.804 -1.304 1
1 216 . 6 1 1 A 19 19 HIS N N 19 115.800 114.949 0.851 1
1 217 . 6 1 1 A 20 20 ASP H H 20 8.010 8.066 -0.056 1
1 218 . 6 1 1 A 20 20 ASP HA H 20 4.370 4.262 0.108 1
1 221 . 6 1 1 A 20 20 ASP CA C 20 55.600 55.587 0.013 1
1 222 . 6 1 1 A 20 20 ASP CB C 20 39.600 40.613 -1.013 1
1 223 . 6 1 1 A 20 20 ASP N N 20 115.900 118.026 -2.126 1
1 224 . 6 1 1 A 21 21 ASN H H 21 8.450 8.160 0.290 1
1 225 . 6 1 1 A 21 21 ASN HA H 21 5.130 5.001 0.129 1
1 230 . 6 1 1 A 21 21 ASN CA C 21 50.600 52.024 -1.424 1
1 231 . 6 1 1 A 21 21 ASN CB C 21 37.000 36.517 0.483 1
1 232 . 6 1 1 A 21 21 ASN N N 21 118.700 118.028 0.672 1
1 234 . 6 1 1 A 22 22 ALA H H 22 8.010 8.336 -0.326 1
1 235 . 6 1 1 A 22 22 ALA HA H 22 3.840 4.011 -0.171 1
1 239 . 6 1 1 A 22 22 ALA CA C 22 55.300 55.315 -0.015 1
1 240 . 6 1 1 A 22 22 ALA CB C 22 18.300 18.156 0.144 1
1 241 . 6 1 1 A 22 22 ALA N N 22 123.300 124.411 -1.111 1
1 242 . 6 1 1 A 23 23 SER H H 23 8.670 8.155 0.515 1
1 243 . 6 1 1 A 23 23 SER HA H 23 4.070 4.207 -0.137 1
1 246 . 6 1 1 A 23 23 SER CA C 23 61.800 60.565 1.235 1
1 247 . 6 1 1 A 23 23 SER CB C 23 61.900 62.874 -0.974 1
1 248 . 6 1 1 A 23 23 SER N N 23 112.500 113.987 -1.487 1
1 249 . 6 1 1 A 24 24 ARG H H 24 7.230 7.945 -0.715 1
1 250 . 6 1 1 A 24 24 ARG HA H 24 3.960 3.885 0.075 1
1 257 . 6 1 1 A 24 24 ARG CA C 24 57.000 59.499 -2.499 1
1 258 . 6 1 1 A 24 24 ARG CB C 24 29.100 29.612 -0.512 1
1 261 . 6 1 1 A 24 24 ARG N N 24 122.300 121.418 0.882 1
1 262 . 6 1 1 A 25 25 ALA H H 25 7.340 8.115 -0.775 1
1 263 . 6 1 1 A 25 25 ALA HA H 25 3.570 3.981 -0.411 1
1 267 . 6 1 1 A 25 25 ALA CA C 25 55.300 55.089 0.211 1
1 268 . 6 1 1 A 25 25 ALA CB C 25 18.700 18.596 0.104 1
1 269 . 6 1 1 A 25 25 ALA N N 25 120.200 122.129 -1.929 1
1 270 . 6 1 1 A 26 26 LEU H H 26 8.420 8.431 -0.011 1
1 271 . 6 1 1 A 26 26 LEU HA H 26 3.800 4.264 -0.464 1
1 281 . 6 1 1 A 26 26 LEU CA C 26 58.300 57.941 0.359 1
1 282 . 6 1 1 A 26 26 LEU CB C 26 41.800 41.389 0.411 1
1 286 . 6 1 1 A 26 26 LEU N N 26 116.500 120.085 -3.585 1
1 287 . 6 1 1 A 27 27 ALA H H 27 7.190 8.178 -0.988 1
1 288 . 6 1 1 A 27 27 ALA HA H 27 4.120 4.016 0.104 1
1 292 . 6 1 1 A 27 27 ALA CA C 27 54.700 55.201 -0.501 1
1 293 . 6 1 1 A 27 27 ALA CB C 27 18.000 18.340 -0.340 1
1 294 . 6 1 1 A 27 27 ALA N N 27 118.200 120.280 -2.080 1
1 295 . 6 1 1 A 28 28 LEU H H 28 7.500 7.821 -0.321 1
1 296 . 6 1 1 A 28 28 LEU HA H 28 4.070 3.978 0.092 1
1 306 . 6 1 1 A 28 28 LEU CA C 28 57.600 57.442 0.158 1
1 307 . 6 1 1 A 28 28 LEU CB C 28 43.100 42.066 1.034 1
1 311 . 6 1 1 A 28 28 LEU N N 28 118.300 119.656 -1.356 1
1 312 . 6 1 1 A 29 29 PHE H H 29 8.690 8.117 0.573 1
1 313 . 6 1 1 A 29 29 PHE HA H 29 4.630 4.217 0.413 1
1 321 . 6 1 1 A 29 29 PHE CA C 29 58.700 60.402 -1.702 1
1 322 . 6 1 1 A 29 29 PHE CB C 29 40.300 38.812 1.488 1
1 326 . 6 1 1 A 29 29 PHE N N 29 119.000 118.912 0.088 1
1 327 . 6 1 1 A 30 30 GLU H H 30 8.990 8.534 0.456 1
1 328 . 6 1 1 A 30 30 GLU HA H 30 3.790 3.977 -0.187 1
1 333 . 6 1 1 A 30 30 GLU CA C 30 60.100 59.991 0.109 1
1 334 . 6 1 1 A 30 30 GLU CB C 30 29.100 29.229 -0.129 1
1 336 . 6 1 1 A 30 30 GLU N N 30 117.400 119.851 -2.451 1
1 337 . 6 1 1 A 31 31 GLU H H 31 7.830 8.337 -0.507 1
1 338 . 6 1 1 A 31 31 GLU HA H 31 4.160 4.016 0.144 1
1 343 . 6 1 1 A 31 31 GLU CA C 31 58.800 59.147 -0.347 1
1 344 . 6 1 1 A 31 31 GLU CB C 31 29.900 29.501 0.399 1
1 346 . 6 1 1 A 31 31 GLU N N 31 119.500 119.656 -0.156 1
1 347 . 6 1 1 A 32 32 LEU H H 32 7.920 8.324 -0.404 1
1 348 . 6 1 1 A 32 32 LEU HA H 32 4.130 3.976 0.154 1
1 358 . 6 1 1 A 32 32 LEU CA C 32 58.200 58.207 -0.007 1
1 359 . 6 1 1 A 32 32 LEU CB C 32 43.000 42.022 0.978 1
1 363 . 6 1 1 A 32 32 LEU N N 32 122.000 120.029 1.971 1
1 364 . 6 1 1 A 33 33 VAL H H 33 7.460 7.988 -0.528 1
1 365 . 6 1 1 A 33 33 VAL HA H 33 3.590 3.393 0.197 1
1 373 . 6 1 1 A 33 33 VAL CA C 33 65.800 66.969 -1.169 1
1 374 . 6 1 1 A 33 33 VAL CB C 33 31.500 31.298 0.202 1
1 377 . 6 1 1 A 33 33 VAL N N 33 116.000 117.602 -1.602 1
1 378 . 6 1 1 A 34 34 GLU H H 34 7.210 8.592 -1.382 1
1 379 . 6 1 1 A 34 34 GLU HA H 34 4.130 4.114 0.016 1
1 384 . 6 1 1 A 34 34 GLU CA C 34 58.500 58.815 -0.315 1
1 385 . 6 1 1 A 34 34 GLU CB C 34 29.900 28.419 1.481 1
1 387 . 6 1 1 A 34 34 GLU N N 34 117.400 119.355 -1.955 1
1 388 . 6 1 1 A 35 35 THR H H 35 9.100 7.440 1.660 1
1 389 . 6 1 1 A 35 35 THR HA H 35 4.180 4.397 -0.217 1
1 394 . 6 1 1 A 35 35 THR CA C 35 63.900 62.718 1.182 1
1 395 . 6 1 1 A 35 35 THR CB C 35 69.300 69.602 -0.302 1
1 397 . 6 1 1 A 35 35 THR N N 35 109.900 108.990 0.910 1
1 398 . 6 1 1 A 36 36 ASP H H 36 8.630 8.222 0.408 1
1 399 . 6 1 1 A 36 36 ASP HA H 36 5.300 4.940 0.360 1
1 402 . 6 1 1 A 36 36 ASP CA C 36 52.700 51.928 0.772 1
1 403 . 6 1 1 A 36 36 ASP CB C 36 42.400 41.505 0.895 1
1 404 . 6 1 1 A 36 36 ASP N N 36 122.800 120.579 2.221 1
1 405 . 6 1 1 A 37 37 PRO HA H 37 4.560 4.637 -0.077 1
1 412 . 6 1 1 A 37 37 PRO CA C 37 64.400 64.206 0.194 1
1 413 . 6 1 1 A 37 37 PRO CB C 37 31.100 32.632 -1.532 1
1 416 . 6 1 1 A 38 38 ASP H H 38 8.630 8.208 0.422 1
1 417 . 6 1 1 A 38 38 ASP HA H 38 4.570 4.653 -0.083 1
1 420 . 6 1 1 A 38 38 ASP CA C 38 53.800 55.663 -1.863 1
1 421 . 6 1 1 A 38 38 ASP CB C 38 39.500 41.621 -2.121 1
1 422 . 6 1 1 A 38 38 ASP N N 38 113.700 117.930 -4.230 1
1 423 . 6 1 1 A 39 39 TYR H H 39 8.110 7.912 0.198 1
1 424 . 6 1 1 A 39 39 TYR HA H 39 4.540 4.686 -0.146 1
1 431 . 6 1 1 A 39 39 TYR CA C 39 58.500 56.529 1.971 1
1 432 . 6 1 1 A 39 39 TYR CB C 39 36.500 38.074 -1.574 1
1 435 . 6 1 1 A 39 39 TYR N N 39 123.700 122.049 1.651 1
1 436 . 6 1 1 A 40 40 VAL H H 40 7.880 7.786 0.094 1
1 437 . 6 1 1 A 40 40 VAL HA H 40 3.770 3.814 -0.044 1
1 445 . 6 1 1 A 40 40 VAL CA C 40 65.000 66.356 -1.356 1
1 446 . 6 1 1 A 40 40 VAL CB C 40 32.500 31.439 1.061 1
1 449 . 6 1 1 A 40 40 VAL N N 40 128.100 125.836 2.264 1
1 450 . 6 1 1 A 41 41 GLY H H 41 7.530 7.723 -0.193 1
1 451 . 6 1 1 A 41 41 GLY HA2 H 41 3.410 3.488 -0.078 1
1 452 . 6 1 1 A 41 41 GLY HA3 H 41 3.880 3.877 0.003 1
1 453 . 6 1 1 A 41 41 GLY CA C 41 46.400 47.223 -0.823 1
1 454 . 6 1 1 A 41 41 GLY N N 41 105.900 107.916 -2.016 1
1 455 . 6 1 1 A 42 42 THR H H 42 7.150 7.802 -0.652 1
1 456 . 6 1 1 A 42 42 THR HA H 42 3.580 4.338 -0.758 1
1 462 . 6 1 1 A 42 42 THR CA C 42 65.600 67.109 -1.509 1
1 463 . 6 1 1 A 42 42 THR CB C 42 68.900 68.717 0.183 1
1 465 . 6 1 1 A 42 42 THR N N 42 111.900 118.497 -6.597 1
1 466 . 6 1 1 A 43 43 TYR H H 43 7.040 8.579 -1.539 1
1 467 . 6 1 1 A 43 43 TYR HA H 43 3.460 4.293 -0.833 1
1 474 . 6 1 1 A 43 43 TYR CA C 43 64.100 60.559 3.541 1
1 475 . 6 1 1 A 43 43 TYR CB C 43 38.300 38.647 -0.347 1
1 478 . 6 1 1 A 43 43 TYR N N 43 113.500 120.755 -7.255 1
1 479 . 6 1 1 A 44 44 TYR H H 44 9.770 8.030 1.740 1
1 480 . 6 1 1 A 44 44 TYR HA H 44 3.990 4.520 -0.530 1
1 487 . 6 1 1 A 44 44 TYR CA C 44 61.900 62.149 -0.249 1
1 488 . 6 1 1 A 44 44 TYR CB C 44 38.800 38.579 0.221 1
1 491 . 6 1 1 A 44 44 TYR N N 44 119.800 120.730 -0.930 1
1 492 . 6 1 1 A 45 45 HIS H H 45 6.380 8.313 -1.933 1
1 493 . 6 1 1 A 45 45 HIS HA H 45 3.770 4.368 -0.598 1
1 498 . 6 1 1 A 45 45 HIS CA C 45 58.500 59.579 -1.079 1
1 499 . 6 1 1 A 45 45 HIS CB C 45 31.600 31.012 0.588 1
1 502 . 6 1 1 A 45 45 HIS N N 45 114.500 117.386 -2.886 1
1 503 . 6 1 1 A 46 46 LEU H H 46 8.360 8.571 -0.211 1
1 504 . 6 1 1 A 46 46 LEU HA H 46 3.660 3.279 0.381 1
1 514 . 6 1 1 A 46 46 LEU CA C 46 57.100 57.594 -0.494 1
1 515 . 6 1 1 A 46 46 LEU CB C 46 40.800 41.589 -0.789 1
1 519 . 6 1 1 A 46 46 LEU N N 46 121.100 120.603 0.497 1
1 520 . 6 1 1 A 47 47 GLY H H 47 8.440 8.240 0.200 1
1 521 . 6 1 1 A 47 47 GLY HA2 H 47 3.350 3.170 0.180 1
1 522 . 6 1 1 A 47 47 GLY HA3 H 47 3.530 3.668 -0.138 1
1 523 . 6 1 1 A 47 47 GLY CA C 47 47.200 46.861 0.339 1
1 524 . 6 1 1 A 47 47 GLY N N 47 106.500 106.720 -0.220 1
1 525 . 6 1 1 A 48 48 LYS H H 48 7.970 7.597 0.373 1
1 526 . 6 1 1 A 48 48 LYS HA H 48 3.800 3.960 -0.160 1
1 535 . 6 1 1 A 48 48 LYS CA C 48 58.200 59.363 -1.163 1
1 536 . 6 1 1 A 48 48 LYS CB C 48 31.600 32.083 -0.483 1
1 540 . 6 1 1 A 48 48 LYS N N 48 120.500 121.795 -1.295 1
1 541 . 6 1 1 A 49 49 LEU H H 49 7.800 7.380 0.420 1
1 542 . 6 1 1 A 49 49 LEU HA H 49 4.170 3.855 0.315 1
1 552 . 6 1 1 A 49 49 LEU CA C 49 57.500 57.357 0.143 1
1 553 . 6 1 1 A 49 49 LEU CB C 49 41.000 41.440 -0.440 1
1 557 . 6 1 1 A 49 49 LEU N N 49 124.000 120.840 3.160 1
1 558 . 6 1 1 A 50 50 TYR H H 50 8.610 7.712 0.898 1
1 559 . 6 1 1 A 50 50 TYR HA H 50 4.420 4.164 0.256 1
1 566 . 6 1 1 A 50 50 TYR CA C 50 59.600 60.689 -1.089 1
1 567 . 6 1 1 A 50 50 TYR CB C 50 35.600 37.819 -2.219 1
1 570 . 6 1 1 A 50 50 TYR N N 50 119.000 118.400 0.600 1
1 571 . 6 1 1 A 51 51 GLU H H 51 8.410 8.447 -0.037 1
1 572 . 6 1 1 A 51 51 GLU HA H 51 3.760 3.897 -0.137 1
1 577 . 6 1 1 A 51 51 GLU CA C 51 61.600 59.925 1.675 1
1 578 . 6 1 1 A 51 51 GLU CB C 51 29.800 29.322 0.478 1
1 580 . 6 1 1 A 51 51 GLU N N 51 118.600 118.729 -0.129 1
1 581 . 6 1 1 A 52 52 ARG H H 52 7.910 7.838 0.072 1
1 582 . 6 1 1 A 52 52 ARG HA H 52 4.150 4.109 0.041 1
1 589 . 6 1 1 A 52 52 ARG CA C 52 58.600 58.705 -0.105 1
1 590 . 6 1 1 A 52 52 ARG CB C 52 29.600 30.015 -0.415 1
1 593 . 6 1 1 A 52 52 ARG N N 52 122.200 120.353 1.847 1
1 594 . 6 1 1 A 53 53 LEU H H 53 7.740 7.495 0.245 1
1 595 . 6 1 1 A 53 53 LEU HA H 53 4.400 4.393 0.007 1
1 605 . 6 1 1 A 53 53 LEU CA C 53 54.100 54.556 -0.456 1
1 606 . 6 1 1 A 53 53 LEU CB C 53 41.400 41.925 -0.525 1
1 610 . 6 1 1 A 53 53 LEU N N 53 119.400 118.078 1.322 1
1 611 . 6 1 1 A 54 54 ASP H H 54 8.090 7.941 0.149 1
1 612 . 6 1 1 A 54 54 ASP HA H 54 4.410 4.273 0.137 1
1 615 . 6 1 1 A 54 54 ASP CA C 54 55.500 55.550 -0.050 1
1 616 . 6 1 1 A 54 54 ASP CB C 54 38.900 40.633 -1.733 1
1 617 . 6 1 1 A 54 54 ASP N N 54 116.300 118.233 -1.933 1
1 618 . 6 1 1 A 55 55 ARG H H 55 8.420 8.133 0.287 1
1 619 . 6 1 1 A 55 55 ARG HA H 55 4.680 4.623 0.057 1
1 627 . 6 1 1 A 55 55 ARG CA C 55 54.000 55.008 -1.008 1
1 628 . 6 1 1 A 55 55 ARG CB C 55 29.800 29.320 0.480 1
1 631 . 6 1 1 A 55 55 ARG N N 55 120.800 119.471 1.329 1
1 633 . 6 1 1 A 56 56 THR H H 56 7.870 7.694 0.176 1
1 634 . 6 1 1 A 56 56 THR HA H 56 3.510 3.749 -0.239 1
1 639 . 6 1 1 A 56 56 THR CA C 56 67.500 67.012 0.488 1
1 640 . 6 1 1 A 56 56 THR CB C 56 68.000 68.599 -0.599 1
1 642 . 6 1 1 A 56 56 THR N N 56 117.300 114.634 2.666 1
1 643 . 6 1 1 A 57 57 ASP H H 57 8.450 8.220 0.230 1
1 644 . 6 1 1 A 57 57 ASP HA H 57 4.260 4.142 0.118 1
1 647 . 6 1 1 A 57 57 ASP CA C 57 57.900 57.867 0.033 1
1 648 . 6 1 1 A 57 57 ASP CB C 57 39.100 41.783 -2.683 1
1 649 . 6 1 1 A 57 57 ASP N N 57 120.300 121.354 -1.054 1
1 650 . 6 1 1 A 58 58 ASP H H 58 7.540 7.725 -0.185 1
1 651 . 6 1 1 A 58 58 ASP HA H 58 4.170 4.141 0.029 1
1 654 . 6 1 1 A 58 58 ASP CA C 58 56.900 56.807 0.093 1
1 655 . 6 1 1 A 58 58 ASP CB C 58 38.400 39.849 -1.449 1
1 656 . 6 1 1 A 58 58 ASP N N 58 120.200 118.986 1.214 1
1 657 . 6 1 1 A 59 59 ALA H H 59 8.110 7.936 0.174 1
1 658 . 6 1 1 A 59 59 ALA HA H 59 3.760 3.929 -0.169 1
1 662 . 6 1 1 A 59 59 ALA CA C 59 56.000 55.015 0.985 1
1 663 . 6 1 1 A 59 59 ALA CB C 59 19.200 18.239 0.961 1
1 664 . 6 1 1 A 59 59 ALA N N 59 124.700 121.764 2.936 1
1 665 . 6 1 1 A 60 60 ILE H H 60 8.230 8.149 0.081 1
1 666 . 6 1 1 A 60 60 ILE HA H 60 3.520 3.802 -0.282 1
1 676 . 6 1 1 A 60 60 ILE CA C 60 66.800 65.269 1.531 1
1 677 . 6 1 1 A 60 60 ILE CB C 60 38.400 37.751 0.649 1
1 681 . 6 1 1 A 60 60 ILE N N 60 117.600 118.118 -0.518 1
1 682 . 6 1 1 A 61 61 ASP H H 61 7.750 7.805 -0.055 1
1 683 . 6 1 1 A 61 61 ASP HA H 61 4.440 4.261 0.179 1
1 686 . 6 1 1 A 61 61 ASP CA C 61 57.100 57.344 -0.244 1
1 687 . 6 1 1 A 61 61 ASP CB C 61 40.500 40.986 -0.486 1
1 688 . 6 1 1 A 61 61 ASP N N 61 118.300 120.513 -2.213 1
1 689 . 6 1 1 A 62 62 THR H H 62 8.040 8.057 -0.017 1
1 690 . 6 1 1 A 62 62 THR HA H 62 4.070 3.975 0.095 1
1 695 . 6 1 1 A 62 62 THR CA C 62 68.000 66.445 1.555 1
1 696 . 6 1 1 A 62 62 THR CB C 62 68.600 68.643 -0.043 1
1 698 . 6 1 1 A 62 62 THR N N 62 119.800 116.046 3.754 1
1 699 . 6 1 1 A 63 63 TYR H H 63 8.970 7.816 1.154 1
1 700 . 6 1 1 A 63 63 TYR HA H 63 4.480 4.409 0.071 1
1 707 . 6 1 1 A 63 63 TYR CA C 63 59.200 61.244 -2.044 1
1 708 . 6 1 1 A 63 63 TYR CB C 63 37.700 37.341 0.359 1
1 711 . 6 1 1 A 63 63 TYR N N 63 121.700 120.741 0.959 1
1 712 . 6 1 1 A 64 64 ALA H H 64 8.690 8.267 0.423 1
1 713 . 6 1 1 A 64 64 ALA HA H 64 4.000 4.004 -0.004 1
1 717 . 6 1 1 A 64 64 ALA CA C 64 55.500 55.418 0.082 1
1 718 . 6 1 1 A 64 64 ALA CB C 64 17.800 17.963 -0.163 1
1 719 . 6 1 1 A 64 64 ALA N N 64 119.400 122.705 -3.305 1
1 720 . 6 1 1 A 65 65 GLN H H 65 8.100 8.040 0.060 1
1 721 . 6 1 1 A 65 65 GLN HA H 65 4.010 3.938 0.072 1
1 728 . 6 1 1 A 65 65 GLN CA C 65 58.600 58.888 -0.288 1
1 729 . 6 1 1 A 65 65 GLN CB C 65 28.500 28.301 0.199 1
1 731 . 6 1 1 A 65 65 GLN N N 65 119.600 118.879 0.721 1
1 733 . 6 1 1 A 66 66 GLY H H 66 8.430 8.206 0.224 1
1 734 . 6 1 1 A 66 66 GLY HA2 H 66 3.080 2.860 0.220 1
1 735 . 6 1 1 A 66 66 GLY HA3 H 66 2.520 3.530 -1.010 1
1 736 . 6 1 1 A 66 66 GLY CA C 66 46.800 47.081 -0.281 1
1 737 . 6 1 1 A 66 66 GLY N N 66 108.200 107.719 0.481 1
1 738 . 6 1 1 A 67 67 ILE H H 67 8.570 8.453 0.117 1
1 739 . 6 1 1 A 67 67 ILE HA H 67 3.320 3.796 -0.476 1
1 749 . 6 1 1 A 67 67 ILE CA C 67 65.900 64.220 1.680 1
1 750 . 6 1 1 A 67 67 ILE CB C 67 38.400 37.420 0.980 1
1 754 . 6 1 1 A 67 67 ILE N N 67 123.500 122.356 1.144 1
1 755 . 6 1 1 A 68 68 GLU H H 68 7.030 8.091 -1.061 1
1 756 . 6 1 1 A 68 68 GLU HA H 68 3.960 4.024 -0.064 1
1 761 . 6 1 1 A 68 68 GLU CA C 68 58.700 59.305 -0.605 1
1 762 . 6 1 1 A 68 68 GLU CB C 68 28.500 29.187 -0.687 1
1 764 . 6 1 1 A 68 68 GLU N N 68 116.500 119.619 -3.119 1
1 765 . 6 1 1 A 69 69 VAL H H 69 7.440 7.366 0.074 1
1 766 . 6 1 1 A 69 69 VAL HA H 69 3.740 3.874 -0.134 1
1 774 . 6 1 1 A 69 69 VAL CA C 69 65.700 64.313 1.387 1
1 775 . 6 1 1 A 69 69 VAL CB C 69 32.000 31.302 0.698 1
1 778 . 6 1 1 A 69 69 VAL N N 69 119.500 115.750 3.750 1
1 779 . 6 1 1 A 70 70 ALA H H 70 9.290 8.326 0.964 1
1 780 . 6 1 1 A 70 70 ALA HA H 70 3.820 3.980 -0.160 1
1 784 . 6 1 1 A 70 70 ALA CA C 70 54.400 55.682 -1.282 1
1 785 . 6 1 1 A 70 70 ALA CB C 70 18.000 18.321 -0.321 1
1 786 . 6 1 1 A 70 70 ALA N N 70 122.500 123.892 -1.392 1
1 787 . 6 1 1 A 71 71 ARG H H 71 8.280 7.772 0.508 1
1 788 . 6 1 1 A 71 71 ARG HA H 71 3.870 4.069 -0.199 1
1 796 . 6 1 1 A 71 71 ARG CA C 71 59.500 58.963 0.537 1
1 797 . 6 1 1 A 71 71 ARG CB C 71 30.000 29.928 0.072 1
1 800 . 6 1 1 A 71 71 ARG N N 71 116.900 116.686 0.214 1
1 802 . 6 1 1 A 72 72 GLU H H 72 7.390 8.034 -0.644 1
1 803 . 6 1 1 A 72 72 GLU HA H 72 4.300 4.148 0.152 1
1 808 . 6 1 1 A 72 72 GLU CA C 72 57.700 59.092 -1.392 1
1 809 . 6 1 1 A 72 72 GLU CB C 72 30.500 29.849 0.651 1
1 811 . 6 1 1 A 72 72 GLU N N 72 116.800 119.095 -2.295 1
1 812 . 6 1 1 A 73 73 GLU H H 73 8.490 8.266 0.224 1
1 813 . 6 1 1 A 73 73 GLU HA H 73 4.550 4.367 0.183 1
1 818 . 6 1 1 A 73 73 GLU CA C 73 55.900 58.075 -2.175 1
1 819 . 6 1 1 A 73 73 GLU CB C 73 30.800 30.578 0.222 1
1 821 . 6 1 1 A 73 73 GLU N N 73 115.000 117.168 -2.168 1
1 822 . 6 1 1 A 74 74 GLY H H 74 8.070 7.759 0.311 1
1 823 . 6 1 1 A 74 74 GLY HA2 H 74 4.450 3.848 0.602 1
1 824 . 6 1 1 A 74 74 GLY HA3 H 74 3.830 3.856 -0.026 1
1 825 . 6 1 1 A 74 74 GLY CA C 74 44.600 45.129 -0.529 1
1 826 . 6 1 1 A 74 74 GLY N N 74 108.100 109.130 -1.030 1
1 827 . 6 1 1 A 75 75 THR H H 75 8.760 7.541 1.219 1
1 828 . 6 1 1 A 75 75 THR HA H 75 4.670 4.605 0.065 1
1 833 . 6 1 1 A 75 75 THR CA C 75 59.000 60.508 -1.508 1
1 834 . 6 1 1 A 75 75 THR CB C 75 70.900 69.638 1.262 1
1 836 . 6 1 1 A 75 75 THR N N 75 111.400 113.818 -2.418 1
1 837 . 6 1 1 A 76 76 GLN H H 76 8.710 8.771 -0.061 1
1 838 . 6 1 1 A 76 76 GLN HA H 76 3.940 3.980 -0.040 1
1 845 . 6 1 1 A 76 76 GLN CA C 76 58.700 59.305 -0.605 1
1 846 . 6 1 1 A 76 76 GLN CB C 76 27.900 28.427 -0.527 1
1 848 . 6 1 1 A 76 76 GLN N N 76 123.100 125.221 -2.121 1
1 850 . 6 1 1 A 77 77 LYS H H 77 8.240 8.031 0.209 1
1 851 . 6 1 1 A 77 77 LYS HA H 77 4.000 4.005 -0.005 1
1 860 . 6 1 1 A 77 77 LYS CA C 77 59.200 59.675 -0.475 1
1 861 . 6 1 1 A 77 77 LYS CB C 77 31.900 32.276 -0.376 1
1 865 . 6 1 1 A 77 77 LYS N N 77 121.000 119.060 1.940 1
1 866 . 6 1 1 A 78 78 ASP H H 78 7.390 8.129 -0.739 1
1 867 . 6 1 1 A 78 78 ASP HA H 78 4.170 4.445 -0.275 1
1 870 . 6 1 1 A 78 78 ASP CA C 78 57.000 57.243 -0.243 1
1 871 . 6 1 1 A 78 78 ASP CB C 78 41.400 40.534 0.866 1
1 872 . 6 1 1 A 78 78 ASP N N 78 117.800 119.799 -1.999 1
1 873 . 6 1 1 A 79 79 LEU H H 79 7.690 7.682 0.008 1
1 874 . 6 1 1 A 79 79 LEU HA H 79 3.770 4.059 -0.289 1
1 884 . 6 1 1 A 79 79 LEU CA C 79 58.100 57.811 0.289 1
1 885 . 6 1 1 A 79 79 LEU CB C 79 42.100 41.349 0.751 1
1 889 . 6 1 1 A 79 79 LEU N N 79 118.400 122.593 -4.193 1
1 890 . 6 1 1 A 80 80 SER H H 80 8.400 8.174 0.226 1
1 891 . 6 1 1 A 80 80 SER HA H 80 4.170 4.088 0.082 1
1 894 . 6 1 1 A 80 80 SER CA C 80 61.500 61.472 0.028 1
1 895 . 6 1 1 A 80 80 SER CB C 80 62.500 62.990 -0.490 1
1 896 . 6 1 1 A 80 80 SER N N 80 114.000 114.745 -0.745 1
1 897 . 6 1 1 A 81 81 GLU H H 81 7.930 7.983 -0.053 1
1 898 . 6 1 1 A 81 81 GLU HA H 81 4.030 4.070 -0.040 1
1 903 . 6 1 1 A 81 81 GLU CA C 81 59.000 59.043 -0.043 1
1 904 . 6 1 1 A 81 81 GLU CB C 81 29.000 29.140 -0.140 1
1 906 . 6 1 1 A 81 81 GLU N N 81 121.000 121.754 -0.754 1
1 907 . 6 1 1 A 82 82 LEU H H 82 7.870 8.406 -0.536 1
1 908 . 6 1 1 A 82 82 LEU HA H 82 3.890 4.003 -0.113 1
1 918 . 6 1 1 A 82 82 LEU CA C 82 57.900 57.604 0.296 1
1 919 . 6 1 1 A 82 82 LEU CB C 82 43.900 41.275 2.625 1
1 923 . 6 1 1 A 82 82 LEU N N 82 120.900 120.628 0.272 1
1 924 . 6 1 1 A 83 83 GLN H H 83 8.520 8.175 0.345 1
1 925 . 6 1 1 A 83 83 GLN HA H 83 3.900 3.911 -0.011 1
1 932 . 6 1 1 A 83 83 GLN CA C 83 59.200 59.015 0.185 1
1 933 . 6 1 1 A 83 83 GLN CB C 83 28.300 28.445 -0.145 1
1 935 . 6 1 1 A 83 83 GLN N N 83 118.300 118.959 -0.659 1
1 937 . 6 1 1 A 84 84 ASP H H 84 8.140 8.207 -0.067 1
1 938 . 6 1 1 A 84 84 ASP HA H 84 4.340 4.315 0.025 1
1 941 . 6 1 1 A 84 84 ASP CA C 84 57.100 57.754 -0.654 1
1 942 . 6 1 1 A 84 84 ASP CB C 84 41.000 41.753 -0.753 1
1 943 . 6 1 1 A 84 84 ASP N N 84 119.700 119.647 0.053 1
1 944 . 6 1 1 A 85 85 ALA H H 85 7.740 7.949 -0.209 1
1 945 . 6 1 1 A 85 85 ALA HA H 85 3.810 3.829 -0.019 1
1 949 . 6 1 1 A 85 85 ALA CA C 85 54.600 55.043 -0.443 1
1 950 . 6 1 1 A 85 85 ALA CB C 85 16.200 17.584 -1.384 1
1 951 . 6 1 1 A 85 85 ALA N N 85 121.600 121.156 0.444 1
1 952 . 6 1 1 A 86 86 LYS H H 86 8.070 7.369 0.701 1
1 953 . 6 1 1 A 86 86 LYS HA H 86 3.810 4.117 -0.307 1
1 962 . 6 1 1 A 86 86 LYS CA C 86 60.600 59.047 1.553 1
1 963 . 6 1 1 A 86 86 LYS CB C 86 33.300 32.113 1.187 1
1 967 . 6 1 1 A 86 86 LYS N N 86 120.200 116.578 3.622 1
1 968 . 6 1 1 A 87 87 LEU H H 87 7.780 8.168 -0.388 1
1 969 . 6 1 1 A 87 87 LEU HA H 87 4.160 4.016 0.144 1
1 979 . 6 1 1 A 87 87 LEU CA C 87 57.500 57.973 -0.473 1
1 980 . 6 1 1 A 87 87 LEU CB C 87 41.900 41.496 0.404 1
1 984 . 6 1 1 A 87 87 LEU N N 87 118.400 121.475 -3.075 1
1 985 . 6 1 1 A 88 88 LYS H H 88 7.900 8.271 -0.371 1
1 986 . 6 1 1 A 88 88 LYS HA H 88 3.960 4.029 -0.069 1
1 995 . 6 1 1 A 88 88 LYS CA C 88 59.200 59.051 0.149 1
1 996 . 6 1 1 A 88 88 LYS CB C 88 32.000 31.880 0.120 1
1 1000 . 6 1 1 A 88 88 LYS N N 88 118.700 117.334 1.366 1
1 1001 . 6 1 1 A 89 89 ALA H H 89 8.000 7.961 0.039 1
1 1002 . 6 1 1 A 89 89 ALA HA H 89 4.150 4.124 0.026 1
1 1006 . 6 1 1 A 89 89 ALA CA C 89 54.500 55.125 -0.625 1
1 1007 . 6 1 1 A 89 89 ALA CB C 89 17.800 18.114 -0.314 1
1 1008 . 6 1 1 A 89 89 ALA N N 89 122.400 121.712 0.688 1
1 1009 . 6 1 1 A 90 90 GLU H H 90 8.300 8.225 0.075 1
1 1010 . 6 1 1 A 90 90 GLU HA H 90 3.930 4.049 -0.119 1
1 1015 . 6 1 1 A 90 90 GLU CA C 90 58.000 59.063 -1.063 1
1 1016 . 6 1 1 A 90 90 GLU CB C 90 29.700 29.470 0.230 1
1 1018 . 6 1 1 A 90 90 GLU N N 90 116.700 117.642 -0.942 1
1 1019 . 6 1 1 A 91 91 GLY H H 91 7.710 7.903 -0.193 1
1 1020 . 6 1 1 A 91 91 GLY HA2 H 91 4.070 4.060 0.010 1
1 1021 . 6 1 1 A 91 91 GLY HA3 H 91 3.870 4.098 -0.228 1
1 1022 . 6 1 1 A 91 91 GLY CA C 91 45.500 45.360 0.140 1
1 1023 . 6 1 1 A 91 91 GLY N N 91 106.000 108.609 -2.609 1
1 1024 . 6 1 1 A 92 92 LEU H H 92 7.640 7.633 0.007 1
1 1025 . 6 1 1 A 92 92 LEU HA H 92 4.270 4.036 0.234 1
1 1035 . 6 1 1 A 92 92 LEU CA C 92 55.200 58.188 -2.988 1
1 1036 . 6 1 1 A 92 92 LEU CB C 92 42.100 41.906 0.194 1
1 1040 . 6 1 1 A 92 92 LEU N N 92 121.200 121.666 -0.466 1
1 1041 . 6 1 1 A 93 93 GLU H H 93 8.290 8.002 0.288 1
1 1042 . 6 1 1 A 93 93 GLU HA H 93 4.130 4.418 -0.288 1
1 1047 . 6 1 1 A 93 93 GLU CA C 93 56.700 55.112 1.588 1
1 1048 . 6 1 1 A 93 93 GLU CB C 93 29.700 30.685 -0.985 1
1 1050 . 6 1 1 A 93 93 GLU N N 93 120.200 116.646 3.554 1
1 1051 . 6 1 1 A 94 94 HIS H H 94 8.260 8.010 0.250 1
1 1052 . 6 1 1 A 94 94 HIS HA H 94 4.560 4.694 -0.134 1
1 1055 . 6 1 1 A 94 94 HIS CA C 94 55.400 55.208 0.192 1
1 1056 . 6 1 1 A 94 94 HIS CB C 94 29.700 31.270 -1.570 1
1 1057 . 6 1 1 A 94 94 HIS N N 94 118.900 115.895 3.005 1
1 1058 . 6 1 1 A 95 95 HIS H H 95 8.170 7.638 0.532 1
1 1059 . 6 1 1 A 95 95 HIS HA H 95 4.410 4.652 -0.242 1
1 1062 . 6 1 1 A 95 95 HIS CA C 95 57.000 54.041 2.959 1
1 1063 . 6 1 1 A 95 95 HIS CB C 95 30.000 30.008 -0.008 1
1 9 . 7 1 1 A 2 2 ASP H H 2 8.560 7.466 1.094 1
1 10 . 7 1 1 A 2 2 ASP HA H 2 4.850 4.799 0.051 1
1 13 . 7 1 1 A 2 2 ASP CA C 2 52.200 53.295 -1.095 1
1 14 . 7 1 1 A 2 2 ASP CB C 2 40.900 39.588 1.312 1
1 15 . 7 1 1 A 2 2 ASP N N 2 123.000 120.853 2.147 1
1 16 . 7 1 1 A 3 3 PRO HA H 3 4.380 4.287 0.093 1
1 23 . 7 1 1 A 3 3 PRO CA C 3 63.500 64.318 -0.818 1
1 24 . 7 1 1 A 3 3 PRO CB C 3 32.100 31.913 0.187 1
1 27 . 7 1 1 A 4 4 GLU H H 4 8.410 8.545 -0.135 1
1 28 . 7 1 1 A 4 4 GLU HA H 4 4.250 4.057 0.193 1
1 33 . 7 1 1 A 4 4 GLU CA C 4 55.900 59.037 -3.137 1
1 34 . 7 1 1 A 4 4 GLU CB C 4 30.100 29.841 0.259 1
1 36 . 7 1 1 A 4 4 GLU N N 4 118.300 117.445 0.855 1
1 37 . 7 1 1 A 5 5 ASP H H 5 8.030 7.696 0.334 1
1 38 . 7 1 1 A 5 5 ASP HA H 5 4.730 4.745 -0.015 1
1 41 . 7 1 1 A 5 5 ASP CA C 5 52.600 52.665 -0.065 1
1 42 . 7 1 1 A 5 5 ASP CB C 5 41.700 40.699 1.001 1
1 43 . 7 1 1 A 5 5 ASP N N 5 123.700 120.532 3.168 1
1 44 . 7 1 1 A 6 6 PRO HA H 6 3.940 4.282 -0.342 1
1 51 . 7 1 1 A 6 6 PRO CA C 6 64.900 65.144 -0.244 1
1 52 . 7 1 1 A 6 6 PRO CB C 6 31.000 31.767 -0.767 1
1 55 . 7 1 1 A 7 7 PHE H H 7 8.130 7.800 0.330 1
1 56 . 7 1 1 A 7 7 PHE HA H 7 4.220 4.241 -0.021 1
1 64 . 7 1 1 A 7 7 PHE CA C 7 60.800 61.619 -0.819 1
1 65 . 7 1 1 A 7 7 PHE CB C 7 38.300 39.473 -1.173 1
1 69 . 7 1 1 A 7 7 PHE N N 7 117.200 118.840 -1.640 1
1 70 . 7 1 1 A 8 8 THR H H 8 7.830 8.267 -0.437 1
1 71 . 7 1 1 A 8 8 THR HA H 8 3.710 3.801 -0.091 1
1 76 . 7 1 1 A 8 8 THR CA C 8 66.200 66.788 -0.588 1
1 77 . 7 1 1 A 8 8 THR CB C 8 68.300 68.668 -0.368 1
1 79 . 7 1 1 A 8 8 THR N N 8 115.700 115.703 -0.003 1
1 80 . 7 1 1 A 9 9 ARG H H 9 7.300 8.179 -0.879 1
1 81 . 7 1 1 A 9 9 ARG HA H 9 3.840 3.966 -0.126 1
1 89 . 7 1 1 A 9 9 ARG CA C 9 59.700 58.705 0.995 1
1 90 . 7 1 1 A 9 9 ARG CB C 9 30.400 29.932 0.468 1
1 93 . 7 1 1 A 9 9 ARG N N 9 121.400 120.140 1.260 1
1 95 . 7 1 1 A 10 10 TYR H H 10 8.480 8.042 0.438 1
1 96 . 7 1 1 A 10 10 TYR HA H 10 3.800 4.067 -0.267 1
1 103 . 7 1 1 A 10 10 TYR CA C 10 61.400 61.381 0.019 1
1 104 . 7 1 1 A 10 10 TYR CB C 10 38.300 38.724 -0.424 1
1 107 . 7 1 1 A 10 10 TYR N N 10 121.700 121.542 0.158 1
1 108 . 7 1 1 A 11 11 ALA H H 11 8.500 8.263 0.237 1
1 109 . 7 1 1 A 11 11 ALA HA H 11 3.700 3.796 -0.096 1
1 113 . 7 1 1 A 11 11 ALA CA C 11 54.400 54.967 -0.567 1
1 114 . 7 1 1 A 11 11 ALA CB C 11 17.300 17.957 -0.657 1
1 115 . 7 1 1 A 11 11 ALA N N 11 121.700 121.718 -0.018 1
1 116 . 7 1 1 A 12 12 LEU H H 12 7.690 8.225 -0.535 1
1 117 . 7 1 1 A 12 12 LEU HA H 12 3.920 3.832 0.088 1
1 127 . 7 1 1 A 12 12 LEU CA C 12 57.100 57.613 -0.513 1
1 128 . 7 1 1 A 12 12 LEU CB C 12 41.500 40.973 0.527 1
1 132 . 7 1 1 A 12 12 LEU N N 12 120.900 118.276 2.624 1
1 133 . 7 1 1 A 13 13 ALA H H 13 8.010 7.874 0.136 1
1 134 . 7 1 1 A 13 13 ALA HA H 13 3.500 4.037 -0.537 1
1 138 . 7 1 1 A 13 13 ALA CA C 13 55.400 55.331 0.069 1
1 139 . 7 1 1 A 13 13 ALA CB C 13 17.400 18.032 -0.632 1
1 140 . 7 1 1 A 13 13 ALA N N 13 123.000 122.323 0.677 1
1 141 . 7 1 1 A 14 14 GLN H H 14 7.660 7.543 0.117 1
1 142 . 7 1 1 A 14 14 GLN HA H 14 3.910 4.032 -0.122 1
1 149 . 7 1 1 A 14 14 GLN CA C 14 58.200 58.679 -0.479 1
1 150 . 7 1 1 A 14 14 GLN CB C 14 27.700 28.206 -0.506 1
1 152 . 7 1 1 A 14 14 GLN N N 14 114.000 117.045 -3.045 1
1 154 . 7 1 1 A 15 15 GLU H H 15 7.900 7.985 -0.085 1
1 155 . 7 1 1 A 15 15 GLU HA H 15 3.900 4.035 -0.135 1
1 160 . 7 1 1 A 15 15 GLU CA C 15 58.800 59.300 -0.500 1
1 161 . 7 1 1 A 15 15 GLU CB C 15 28.600 29.585 -0.985 1
1 163 . 7 1 1 A 15 15 GLU N N 15 122.400 121.228 1.172 1
1 164 . 7 1 1 A 16 16 HIS H H 16 8.220 8.005 0.215 1
1 165 . 7 1 1 A 16 16 HIS HA H 16 4.520 4.453 0.067 1
1 170 . 7 1 1 A 16 16 HIS CA C 16 59.700 59.264 0.436 1
1 171 . 7 1 1 A 16 16 HIS CB C 16 29.600 29.781 -0.181 1
1 174 . 7 1 1 A 16 16 HIS N N 16 119.100 119.091 0.009 1
1 175 . 7 1 1 A 17 17 LEU H H 17 8.090 8.360 -0.270 1
1 176 . 7 1 1 A 17 17 LEU HA H 17 3.870 3.842 0.028 1
1 186 . 7 1 1 A 17 17 LEU CA C 17 57.900 58.070 -0.170 1
1 187 . 7 1 1 A 17 17 LEU CB C 17 41.400 41.246 0.154 1
1 191 . 7 1 1 A 17 17 LEU N N 17 120.500 120.069 0.431 1
1 192 . 7 1 1 A 18 18 LYS H H 18 7.960 7.517 0.443 1
1 193 . 7 1 1 A 18 18 LYS HA H 18 4.030 4.050 -0.020 1
1 202 . 7 1 1 A 18 18 LYS CA C 18 58.400 58.690 -0.290 1
1 203 . 7 1 1 A 18 18 LYS CB C 18 31.800 32.033 -0.233 1
1 207 . 7 1 1 A 18 18 LYS N N 18 121.000 117.288 3.712 1
1 208 . 7 1 1 A 19 19 HIS H H 19 7.410 7.554 -0.144 1
1 209 . 7 1 1 A 19 19 HIS HA H 19 4.720 4.622 0.098 1
1 213 . 7 1 1 A 19 19 HIS CA C 19 54.700 55.755 -1.055 1
1 214 . 7 1 1 A 19 19 HIS CB C 19 28.500 29.891 -1.391 1
1 216 . 7 1 1 A 19 19 HIS N N 19 115.800 115.439 0.361 1
1 217 . 7 1 1 A 20 20 ASP H H 20 8.010 7.942 0.068 1
1 218 . 7 1 1 A 20 20 ASP HA H 20 4.370 4.187 0.183 1
1 221 . 7 1 1 A 20 20 ASP CA C 20 55.600 55.562 0.038 1
1 222 . 7 1 1 A 20 20 ASP CB C 20 39.600 40.673 -1.073 1
1 223 . 7 1 1 A 20 20 ASP N N 20 115.900 118.276 -2.376 1
1 224 . 7 1 1 A 21 21 ASN H H 21 8.450 8.442 0.008 1
1 225 . 7 1 1 A 21 21 ASN HA H 21 5.130 4.972 0.158 1
1 230 . 7 1 1 A 21 21 ASN CA C 21 50.600 52.476 -1.876 1
1 231 . 7 1 1 A 21 21 ASN CB C 21 37.000 36.768 0.232 1
1 232 . 7 1 1 A 21 21 ASN N N 21 118.700 118.137 0.563 1
1 234 . 7 1 1 A 22 22 ALA H H 22 8.010 8.164 -0.154 1
1 235 . 7 1 1 A 22 22 ALA HA H 22 3.840 3.956 -0.116 1
1 239 . 7 1 1 A 22 22 ALA CA C 22 55.300 55.480 -0.180 1
1 240 . 7 1 1 A 22 22 ALA CB C 22 18.300 18.527 -0.227 1
1 241 . 7 1 1 A 22 22 ALA N N 22 123.300 123.872 -0.572 1
1 242 . 7 1 1 A 23 23 SER H H 23 8.670 8.327 0.343 1
1 243 . 7 1 1 A 23 23 SER HA H 23 4.070 4.178 -0.108 1
1 246 . 7 1 1 A 23 23 SER CA C 23 61.800 61.531 0.269 1
1 247 . 7 1 1 A 23 23 SER CB C 23 61.900 62.389 -0.489 1
1 248 . 7 1 1 A 23 23 SER N N 23 112.500 113.061 -0.561 1
1 249 . 7 1 1 A 24 24 ARG H H 24 7.230 7.990 -0.760 1
1 250 . 7 1 1 A 24 24 ARG HA H 24 3.960 3.886 0.074 1
1 257 . 7 1 1 A 24 24 ARG CA C 24 57.000 59.405 -2.405 1
1 258 . 7 1 1 A 24 24 ARG CB C 24 29.100 29.687 -0.587 1
1 261 . 7 1 1 A 24 24 ARG N N 24 122.300 121.699 0.601 1
1 262 . 7 1 1 A 25 25 ALA H H 25 7.340 8.210 -0.870 1
1 263 . 7 1 1 A 25 25 ALA HA H 25 3.570 3.959 -0.389 1
1 267 . 7 1 1 A 25 25 ALA CA C 25 55.300 55.028 0.272 1
1 268 . 7 1 1 A 25 25 ALA CB C 25 18.700 18.013 0.687 1
1 269 . 7 1 1 A 25 25 ALA N N 25 120.200 122.037 -1.837 1
1 270 . 7 1 1 A 26 26 LEU H H 26 8.420 8.136 0.284 1
1 271 . 7 1 1 A 26 26 LEU HA H 26 3.800 4.212 -0.412 1
1 281 . 7 1 1 A 26 26 LEU CA C 26 58.300 57.864 0.436 1
1 282 . 7 1 1 A 26 26 LEU CB C 26 41.800 41.452 0.348 1
1 286 . 7 1 1 A 26 26 LEU N N 26 116.500 120.118 -3.618 1
1 287 . 7 1 1 A 27 27 ALA H H 27 7.190 8.241 -1.051 1
1 288 . 7 1 1 A 27 27 ALA HA H 27 4.120 4.000 0.120 1
1 292 . 7 1 1 A 27 27 ALA CA C 27 54.700 55.129 -0.429 1
1 293 . 7 1 1 A 27 27 ALA CB C 27 18.000 18.102 -0.102 1
1 294 . 7 1 1 A 27 27 ALA N N 27 118.200 120.662 -2.462 1
1 295 . 7 1 1 A 28 28 LEU H H 28 7.500 7.769 -0.269 1
1 296 . 7 1 1 A 28 28 LEU HA H 28 4.070 3.873 0.197 1
1 306 . 7 1 1 A 28 28 LEU CA C 28 57.600 57.602 -0.002 1
1 307 . 7 1 1 A 28 28 LEU CB C 28 43.100 41.553 1.547 1
1 311 . 7 1 1 A 28 28 LEU N N 28 118.300 118.600 -0.300 1
1 312 . 7 1 1 A 29 29 PHE H H 29 8.690 7.693 0.997 1
1 313 . 7 1 1 A 29 29 PHE HA H 29 4.630 4.129 0.501 1
1 321 . 7 1 1 A 29 29 PHE CA C 29 58.700 60.574 -1.874 1
1 322 . 7 1 1 A 29 29 PHE CB C 29 40.300 38.084 2.216 1
1 326 . 7 1 1 A 29 29 PHE N N 29 119.000 118.762 0.238 1
1 327 . 7 1 1 A 30 30 GLU H H 30 8.990 8.508 0.482 1
1 328 . 7 1 1 A 30 30 GLU HA H 30 3.790 3.914 -0.124 1
1 333 . 7 1 1 A 30 30 GLU CA C 30 60.100 60.206 -0.106 1
1 334 . 7 1 1 A 30 30 GLU CB C 30 29.100 29.166 -0.066 1
1 336 . 7 1 1 A 30 30 GLU N N 30 117.400 118.788 -1.388 1
1 337 . 7 1 1 A 31 31 GLU H H 31 7.830 8.174 -0.344 1
1 338 . 7 1 1 A 31 31 GLU HA H 31 4.160 4.110 0.050 1
1 343 . 7 1 1 A 31 31 GLU CA C 31 58.800 58.977 -0.177 1
1 344 . 7 1 1 A 31 31 GLU CB C 31 29.900 29.485 0.415 1
1 346 . 7 1 1 A 31 31 GLU N N 31 119.500 119.927 -0.427 1
1 347 . 7 1 1 A 32 32 LEU H H 32 7.920 8.274 -0.354 1
1 348 . 7 1 1 A 32 32 LEU HA H 32 4.130 4.022 0.108 1
1 358 . 7 1 1 A 32 32 LEU CA C 32 58.200 58.171 0.029 1
1 359 . 7 1 1 A 32 32 LEU CB C 32 43.000 41.578 1.422 1
1 363 . 7 1 1 A 32 32 LEU N N 32 122.000 120.059 1.941 1
1 364 . 7 1 1 A 33 33 VAL H H 33 7.460 7.969 -0.509 1
1 365 . 7 1 1 A 33 33 VAL HA H 33 3.590 3.330 0.260 1
1 373 . 7 1 1 A 33 33 VAL CA C 33 65.800 66.828 -1.028 1
1 374 . 7 1 1 A 33 33 VAL CB C 33 31.500 31.048 0.452 1
1 377 . 7 1 1 A 33 33 VAL N N 33 116.000 119.194 -3.194 1
1 378 . 7 1 1 A 34 34 GLU H H 34 7.210 8.068 -0.858 1
1 379 . 7 1 1 A 34 34 GLU HA H 34 4.130 4.155 -0.025 1
1 384 . 7 1 1 A 34 34 GLU CA C 34 58.500 59.047 -0.547 1
1 385 . 7 1 1 A 34 34 GLU CB C 34 29.900 29.182 0.718 1
1 387 . 7 1 1 A 34 34 GLU N N 34 117.400 119.519 -2.119 1
1 388 . 7 1 1 A 35 35 THR H H 35 9.100 7.616 1.484 1
1 389 . 7 1 1 A 35 35 THR HA H 35 4.180 4.292 -0.112 1
1 394 . 7 1 1 A 35 35 THR CA C 35 63.900 63.684 0.216 1
1 395 . 7 1 1 A 35 35 THR CB C 35 69.300 69.298 0.002 1
1 397 . 7 1 1 A 35 35 THR N N 35 109.900 111.437 -1.537 1
1 398 . 7 1 1 A 36 36 ASP H H 36 8.630 8.035 0.595 1
1 399 . 7 1 1 A 36 36 ASP HA H 36 5.300 5.150 0.150 1
1 402 . 7 1 1 A 36 36 ASP CA C 36 52.700 51.507 1.193 1
1 403 . 7 1 1 A 36 36 ASP CB C 36 42.400 41.665 0.735 1
1 404 . 7 1 1 A 36 36 ASP N N 36 122.800 120.531 2.269 1
1 405 . 7 1 1 A 37 37 PRO HA H 37 4.560 4.695 -0.135 1
1 412 . 7 1 1 A 37 37 PRO CA C 37 64.400 64.655 -0.255 1
1 413 . 7 1 1 A 37 37 PRO CB C 37 31.100 32.154 -1.054 1
1 416 . 7 1 1 A 38 38 ASP H H 38 8.630 8.617 0.013 1
1 417 . 7 1 1 A 38 38 ASP HA H 38 4.570 4.772 -0.202 1
1 420 . 7 1 1 A 38 38 ASP CA C 38 53.800 54.137 -0.337 1
1 421 . 7 1 1 A 38 38 ASP CB C 38 39.500 40.153 -0.653 1
1 422 . 7 1 1 A 38 38 ASP N N 38 113.700 115.749 -2.049 1
1 423 . 7 1 1 A 39 39 TYR H H 39 8.110 7.993 0.117 1
1 424 . 7 1 1 A 39 39 TYR HA H 39 4.540 4.726 -0.186 1
1 431 . 7 1 1 A 39 39 TYR CA C 39 58.500 56.215 2.285 1
1 432 . 7 1 1 A 39 39 TYR CB C 39 36.500 37.300 -0.800 1
1 435 . 7 1 1 A 39 39 TYR N N 39 123.700 122.254 1.446 1
1 436 . 7 1 1 A 40 40 VAL H H 40 7.880 8.043 -0.163 1
1 437 . 7 1 1 A 40 40 VAL HA H 40 3.770 3.946 -0.176 1
1 445 . 7 1 1 A 40 40 VAL CA C 40 65.000 66.489 -1.489 1
1 446 . 7 1 1 A 40 40 VAL CB C 40 32.500 31.605 0.895 1
1 449 . 7 1 1 A 40 40 VAL N N 40 128.100 125.590 2.510 1
1 450 . 7 1 1 A 41 41 GLY H H 41 7.530 8.093 -0.563 1
1 451 . 7 1 1 A 41 41 GLY HA2 H 41 3.410 3.852 -0.442 1
1 452 . 7 1 1 A 41 41 GLY HA3 H 41 3.880 4.041 -0.161 1
1 453 . 7 1 1 A 41 41 GLY CA C 41 46.400 47.332 -0.932 1
1 454 . 7 1 1 A 41 41 GLY N N 41 105.900 108.442 -2.542 1
1 455 . 7 1 1 A 42 42 THR H H 42 7.150 8.156 -1.006 1
1 456 . 7 1 1 A 42 42 THR HA H 42 3.580 4.428 -0.848 1
1 462 . 7 1 1 A 42 42 THR CA C 42 65.600 66.773 -1.173 1
1 463 . 7 1 1 A 42 42 THR CB C 42 68.900 68.642 0.258 1
1 465 . 7 1 1 A 42 42 THR N N 42 111.900 118.691 -6.791 1
1 466 . 7 1 1 A 43 43 TYR H H 43 7.040 7.949 -0.909 1
1 467 . 7 1 1 A 43 43 TYR HA H 43 3.460 4.292 -0.832 1
1 474 . 7 1 1 A 43 43 TYR CA C 43 64.100 60.532 3.568 1
1 475 . 7 1 1 A 43 43 TYR CB C 43 38.300 38.553 -0.253 1
1 478 . 7 1 1 A 43 43 TYR N N 43 113.500 120.738 -7.238 1
1 479 . 7 1 1 A 44 44 TYR H H 44 9.770 8.385 1.385 1
1 480 . 7 1 1 A 44 44 TYR HA H 44 3.990 4.465 -0.475 1
1 487 . 7 1 1 A 44 44 TYR CA C 44 61.900 62.113 -0.213 1
1 488 . 7 1 1 A 44 44 TYR CB C 44 38.800 38.637 0.163 1
1 491 . 7 1 1 A 44 44 TYR N N 44 119.800 120.685 -0.885 1
1 492 . 7 1 1 A 45 45 HIS H H 45 6.380 8.157 -1.777 1
1 493 . 7 1 1 A 45 45 HIS HA H 45 3.770 4.239 -0.469 1
1 498 . 7 1 1 A 45 45 HIS CA C 45 58.500 59.496 -0.996 1
1 499 . 7 1 1 A 45 45 HIS CB C 45 31.600 30.197 1.403 1
1 502 . 7 1 1 A 45 45 HIS N N 45 114.500 117.047 -2.547 1
1 503 . 7 1 1 A 46 46 LEU H H 46 8.360 8.577 -0.217 1
1 504 . 7 1 1 A 46 46 LEU HA H 46 3.660 3.333 0.327 1
1 514 . 7 1 1 A 46 46 LEU CA C 46 57.100 57.585 -0.485 1
1 515 . 7 1 1 A 46 46 LEU CB C 46 40.800 41.691 -0.891 1
1 519 . 7 1 1 A 46 46 LEU N N 46 121.100 120.947 0.153 1
1 520 . 7 1 1 A 47 47 GLY H H 47 8.440 8.124 0.316 1
1 521 . 7 1 1 A 47 47 GLY HA2 H 47 3.350 2.945 0.405 1
1 522 . 7 1 1 A 47 47 GLY HA3 H 47 3.530 3.666 -0.136 1
1 523 . 7 1 1 A 47 47 GLY CA C 47 47.200 46.850 0.350 1
1 524 . 7 1 1 A 47 47 GLY N N 47 106.500 106.274 0.226 1
1 525 . 7 1 1 A 48 48 LYS H H 48 7.970 7.504 0.466 1
1 526 . 7 1 1 A 48 48 LYS HA H 48 3.800 3.979 -0.179 1
1 535 . 7 1 1 A 48 48 LYS CA C 48 58.200 59.382 -1.182 1
1 536 . 7 1 1 A 48 48 LYS CB C 48 31.600 32.324 -0.724 1
1 540 . 7 1 1 A 48 48 LYS N N 48 120.500 121.857 -1.357 1
1 541 . 7 1 1 A 49 49 LEU H H 49 7.800 7.592 0.208 1
1 542 . 7 1 1 A 49 49 LEU HA H 49 4.170 3.911 0.259 1
1 552 . 7 1 1 A 49 49 LEU CA C 49 57.500 57.424 0.076 1
1 553 . 7 1 1 A 49 49 LEU CB C 49 41.000 41.603 -0.603 1
1 557 . 7 1 1 A 49 49 LEU N N 49 124.000 120.794 3.206 1
1 558 . 7 1 1 A 50 50 TYR H H 50 8.610 8.122 0.488 1
1 559 . 7 1 1 A 50 50 TYR HA H 50 4.420 4.264 0.156 1
1 566 . 7 1 1 A 50 50 TYR CA C 50 59.600 60.794 -1.194 1
1 567 . 7 1 1 A 50 50 TYR CB C 50 35.600 37.698 -2.098 1
1 570 . 7 1 1 A 50 50 TYR N N 50 119.000 118.665 0.335 1
1 571 . 7 1 1 A 51 51 GLU H H 51 8.410 8.685 -0.275 1
1 572 . 7 1 1 A 51 51 GLU HA H 51 3.760 3.910 -0.150 1
1 577 . 7 1 1 A 51 51 GLU CA C 51 61.600 60.114 1.486 1
1 578 . 7 1 1 A 51 51 GLU CB C 51 29.800 29.336 0.464 1
1 580 . 7 1 1 A 51 51 GLU N N 51 118.600 118.754 -0.154 1
1 581 . 7 1 1 A 52 52 ARG H H 52 7.910 7.887 0.023 1
1 582 . 7 1 1 A 52 52 ARG HA H 52 4.150 4.109 0.041 1
1 589 . 7 1 1 A 52 52 ARG CA C 52 58.600 58.636 -0.036 1
1 590 . 7 1 1 A 52 52 ARG CB C 52 29.600 29.800 -0.200 1
1 593 . 7 1 1 A 52 52 ARG N N 52 122.200 120.284 1.916 1
1 594 . 7 1 1 A 53 53 LEU H H 53 7.740 7.609 0.131 1
1 595 . 7 1 1 A 53 53 LEU HA H 53 4.400 4.425 -0.025 1
1 605 . 7 1 1 A 53 53 LEU CA C 53 54.100 54.499 -0.399 1
1 606 . 7 1 1 A 53 53 LEU CB C 53 41.400 41.868 -0.468 1
1 610 . 7 1 1 A 53 53 LEU N N 53 119.400 117.969 1.431 1
1 611 . 7 1 1 A 54 54 ASP H H 54 8.090 8.079 0.011 1
1 612 . 7 1 1 A 54 54 ASP HA H 54 4.410 4.271 0.139 1
1 615 . 7 1 1 A 54 54 ASP CA C 54 55.500 55.339 0.161 1
1 616 . 7 1 1 A 54 54 ASP CB C 54 38.900 40.103 -1.203 1
1 617 . 7 1 1 A 54 54 ASP N N 54 116.300 118.845 -2.545 1
1 618 . 7 1 1 A 55 55 ARG H H 55 8.420 8.783 -0.363 1
1 619 . 7 1 1 A 55 55 ARG HA H 55 4.680 4.578 0.102 1
1 627 . 7 1 1 A 55 55 ARG CA C 55 54.000 54.390 -0.390 1
1 628 . 7 1 1 A 55 55 ARG CB C 55 29.800 28.341 1.459 1
1 631 . 7 1 1 A 55 55 ARG N N 55 120.800 118.722 2.078 1
1 633 . 7 1 1 A 56 56 THR H H 56 7.870 7.915 -0.045 1
1 634 . 7 1 1 A 56 56 THR HA H 56 3.510 3.741 -0.231 1
1 639 . 7 1 1 A 56 56 THR CA C 56 67.500 67.256 0.244 1
1 640 . 7 1 1 A 56 56 THR CB C 56 68.000 68.684 -0.684 1
1 642 . 7 1 1 A 56 56 THR N N 56 117.300 115.941 1.359 1
1 643 . 7 1 1 A 57 57 ASP H H 57 8.450 8.420 0.030 1
1 644 . 7 1 1 A 57 57 ASP HA H 57 4.260 4.262 -0.002 1
1 647 . 7 1 1 A 57 57 ASP CA C 57 57.900 57.442 0.458 1
1 648 . 7 1 1 A 57 57 ASP CB C 57 39.100 40.066 -0.966 1
1 649 . 7 1 1 A 57 57 ASP N N 57 120.300 119.987 0.313 1
1 650 . 7 1 1 A 58 58 ASP H H 58 7.540 7.989 -0.449 1
1 651 . 7 1 1 A 58 58 ASP HA H 58 4.170 4.130 0.040 1
1 654 . 7 1 1 A 58 58 ASP CA C 58 56.900 56.862 0.038 1
1 655 . 7 1 1 A 58 58 ASP CB C 58 38.400 40.002 -1.602 1
1 656 . 7 1 1 A 58 58 ASP N N 58 120.200 119.578 0.622 1
1 657 . 7 1 1 A 59 59 ALA H H 59 8.110 7.809 0.301 1
1 658 . 7 1 1 A 59 59 ALA HA H 59 3.760 4.021 -0.261 1
1 662 . 7 1 1 A 59 59 ALA CA C 59 56.000 55.041 0.959 1
1 663 . 7 1 1 A 59 59 ALA CB C 59 19.200 18.633 0.567 1
1 664 . 7 1 1 A 59 59 ALA N N 59 124.700 121.452 3.248 1
1 665 . 7 1 1 A 60 60 ILE H H 60 8.230 8.184 0.046 1
1 666 . 7 1 1 A 60 60 ILE HA H 60 3.520 3.807 -0.287 1
1 676 . 7 1 1 A 60 60 ILE CA C 60 66.800 65.422 1.378 1
1 677 . 7 1 1 A 60 60 ILE CB C 60 38.400 37.742 0.658 1
1 681 . 7 1 1 A 60 60 ILE N N 60 117.600 117.959 -0.359 1
1 682 . 7 1 1 A 61 61 ASP H H 61 7.750 8.207 -0.457 1
1 683 . 7 1 1 A 61 61 ASP HA H 61 4.440 4.286 0.154 1
1 686 . 7 1 1 A 61 61 ASP CA C 61 57.100 57.413 -0.313 1
1 687 . 7 1 1 A 61 61 ASP CB C 61 40.500 40.788 -0.288 1
1 688 . 7 1 1 A 61 61 ASP N N 61 118.300 120.472 -2.172 1
1 689 . 7 1 1 A 62 62 THR H H 62 8.040 8.112 -0.072 1
1 690 . 7 1 1 A 62 62 THR HA H 62 4.070 4.098 -0.028 1
1 695 . 7 1 1 A 62 62 THR CA C 62 68.000 66.482 1.518 1
1 696 . 7 1 1 A 62 62 THR CB C 62 68.600 68.528 0.072 1
1 698 . 7 1 1 A 62 62 THR N N 62 119.800 116.105 3.695 1
1 699 . 7 1 1 A 63 63 TYR H H 63 8.970 8.298 0.672 1
1 700 . 7 1 1 A 63 63 TYR HA H 63 4.480 4.490 -0.010 1
1 707 . 7 1 1 A 63 63 TYR CA C 63 59.200 60.988 -1.788 1
1 708 . 7 1 1 A 63 63 TYR CB C 63 37.700 37.117 0.583 1
1 711 . 7 1 1 A 63 63 TYR N N 63 121.700 120.839 0.861 1
1 712 . 7 1 1 A 64 64 ALA H H 64 8.690 8.224 0.466 1
1 713 . 7 1 1 A 64 64 ALA HA H 64 4.000 4.113 -0.113 1
1 717 . 7 1 1 A 64 64 ALA CA C 64 55.500 55.304 0.196 1
1 718 . 7 1 1 A 64 64 ALA CB C 64 17.800 18.268 -0.468 1
1 719 . 7 1 1 A 64 64 ALA N N 64 119.400 122.572 -3.172 1
1 720 . 7 1 1 A 65 65 GLN H H 65 8.100 8.005 0.095 1
1 721 . 7 1 1 A 65 65 GLN HA H 65 4.010 3.909 0.101 1
1 728 . 7 1 1 A 65 65 GLN CA C 65 58.600 59.150 -0.550 1
1 729 . 7 1 1 A 65 65 GLN CB C 65 28.500 27.944 0.556 1
1 731 . 7 1 1 A 65 65 GLN N N 65 119.600 118.132 1.468 1
1 733 . 7 1 1 A 66 66 GLY H H 66 8.430 8.140 0.290 1
1 734 . 7 1 1 A 66 66 GLY HA2 H 66 3.080 3.002 0.078 1
1 735 . 7 1 1 A 66 66 GLY HA3 H 66 2.520 3.526 -1.006 1
1 736 . 7 1 1 A 66 66 GLY CA C 66 46.800 47.107 -0.307 1
1 737 . 7 1 1 A 66 66 GLY N N 66 108.200 106.512 1.688 1
1 738 . 7 1 1 A 67 67 ILE H H 67 8.570 8.507 0.063 1
1 739 . 7 1 1 A 67 67 ILE HA H 67 3.320 3.832 -0.512 1
1 749 . 7 1 1 A 67 67 ILE CA C 67 65.900 64.160 1.740 1
1 750 . 7 1 1 A 67 67 ILE CB C 67 38.400 37.508 0.892 1
1 754 . 7 1 1 A 67 67 ILE N N 67 123.500 122.335 1.165 1
1 755 . 7 1 1 A 68 68 GLU H H 68 7.030 7.691 -0.661 1
1 756 . 7 1 1 A 68 68 GLU HA H 68 3.960 4.050 -0.090 1
1 761 . 7 1 1 A 68 68 GLU CA C 68 58.700 59.311 -0.611 1
1 762 . 7 1 1 A 68 68 GLU CB C 68 28.500 29.278 -0.778 1
1 764 . 7 1 1 A 68 68 GLU N N 68 116.500 119.656 -3.156 1
1 765 . 7 1 1 A 69 69 VAL H H 69 7.440 7.539 -0.099 1
1 766 . 7 1 1 A 69 69 VAL HA H 69 3.740 3.874 -0.134 1
1 774 . 7 1 1 A 69 69 VAL CA C 69 65.700 64.569 1.131 1
1 775 . 7 1 1 A 69 69 VAL CB C 69 32.000 31.197 0.803 1
1 778 . 7 1 1 A 69 69 VAL N N 69 119.500 116.224 3.276 1
1 779 . 7 1 1 A 70 70 ALA H H 70 9.290 8.163 1.127 1
1 780 . 7 1 1 A 70 70 ALA HA H 70 3.820 4.000 -0.180 1
1 784 . 7 1 1 A 70 70 ALA CA C 70 54.400 55.538 -1.138 1
1 785 . 7 1 1 A 70 70 ALA CB C 70 18.000 18.107 -0.107 1
1 786 . 7 1 1 A 70 70 ALA N N 70 122.500 124.546 -2.046 1
1 787 . 7 1 1 A 71 71 ARG H H 71 8.280 7.912 0.368 1
1 788 . 7 1 1 A 71 71 ARG HA H 71 3.870 4.061 -0.191 1
1 796 . 7 1 1 A 71 71 ARG CA C 71 59.500 58.812 0.688 1
1 797 . 7 1 1 A 71 71 ARG CB C 71 30.000 29.884 0.116 1
1 800 . 7 1 1 A 71 71 ARG N N 71 116.900 116.994 -0.094 1
1 802 . 7 1 1 A 72 72 GLU H H 72 7.390 8.037 -0.647 1
1 803 . 7 1 1 A 72 72 GLU HA H 72 4.300 4.154 0.146 1
1 808 . 7 1 1 A 72 72 GLU CA C 72 57.700 58.948 -1.248 1
1 809 . 7 1 1 A 72 72 GLU CB C 72 30.500 30.216 0.284 1
1 811 . 7 1 1 A 72 72 GLU N N 72 116.800 118.978 -2.178 1
1 812 . 7 1 1 A 73 73 GLU H H 73 8.490 8.259 0.231 1
1 813 . 7 1 1 A 73 73 GLU HA H 73 4.550 4.374 0.176 1
1 818 . 7 1 1 A 73 73 GLU CA C 73 55.900 58.164 -2.264 1
1 819 . 7 1 1 A 73 73 GLU CB C 73 30.800 30.397 0.403 1
1 821 . 7 1 1 A 73 73 GLU N N 73 115.000 117.552 -2.552 1
1 822 . 7 1 1 A 74 74 GLY H H 74 8.070 7.898 0.172 1
1 823 . 7 1 1 A 74 74 GLY HA2 H 74 4.450 3.828 0.622 1
1 824 . 7 1 1 A 74 74 GLY HA3 H 74 3.830 3.830 0.000 1
1 825 . 7 1 1 A 74 74 GLY CA C 74 44.600 44.634 -0.034 1
1 826 . 7 1 1 A 74 74 GLY N N 74 108.100 109.430 -1.330 1
1 827 . 7 1 1 A 75 75 THR H H 75 8.760 7.690 1.070 1
1 828 . 7 1 1 A 75 75 THR HA H 75 4.670 4.577 0.093 1
1 833 . 7 1 1 A 75 75 THR CA C 75 59.000 60.379 -1.379 1
1 834 . 7 1 1 A 75 75 THR CB C 75 70.900 69.805 1.095 1
1 836 . 7 1 1 A 75 75 THR N N 75 111.400 114.615 -3.215 1
1 837 . 7 1 1 A 76 76 GLN H H 76 8.710 8.767 -0.057 1
1 838 . 7 1 1 A 76 76 GLN HA H 76 3.940 3.973 -0.033 1
1 845 . 7 1 1 A 76 76 GLN CA C 76 58.700 59.093 -0.393 1
1 846 . 7 1 1 A 76 76 GLN CB C 76 27.900 28.195 -0.295 1
1 848 . 7 1 1 A 76 76 GLN N N 76 123.100 125.346 -2.246 1
1 850 . 7 1 1 A 77 77 LYS H H 77 8.240 8.172 0.068 1
1 851 . 7 1 1 A 77 77 LYS HA H 77 4.000 4.029 -0.029 1
1 860 . 7 1 1 A 77 77 LYS CA C 77 59.200 59.734 -0.534 1
1 861 . 7 1 1 A 77 77 LYS CB C 77 31.900 32.207 -0.307 1
1 865 . 7 1 1 A 77 77 LYS N N 77 121.000 118.858 2.142 1
1 866 . 7 1 1 A 78 78 ASP H H 78 7.390 8.108 -0.718 1
1 867 . 7 1 1 A 78 78 ASP HA H 78 4.170 4.461 -0.291 1
1 870 . 7 1 1 A 78 78 ASP CA C 78 57.000 57.090 -0.090 1
1 871 . 7 1 1 A 78 78 ASP CB C 78 41.400 40.467 0.933 1
1 872 . 7 1 1 A 78 78 ASP N N 78 117.800 119.753 -1.953 1
1 873 . 7 1 1 A 79 79 LEU H H 79 7.690 7.855 -0.165 1
1 874 . 7 1 1 A 79 79 LEU HA H 79 3.770 4.088 -0.318 1
1 884 . 7 1 1 A 79 79 LEU CA C 79 58.100 58.083 0.017 1
1 885 . 7 1 1 A 79 79 LEU CB C 79 42.100 41.393 0.707 1
1 889 . 7 1 1 A 79 79 LEU N N 79 118.400 122.356 -3.956 1
1 890 . 7 1 1 A 80 80 SER H H 80 8.400 8.269 0.131 1
1 891 . 7 1 1 A 80 80 SER HA H 80 4.170 4.050 0.120 1
1 894 . 7 1 1 A 80 80 SER CA C 80 61.500 61.576 -0.076 1
1 895 . 7 1 1 A 80 80 SER CB C 80 62.500 62.949 -0.449 1
1 896 . 7 1 1 A 80 80 SER N N 80 114.000 114.607 -0.607 1
1 897 . 7 1 1 A 81 81 GLU H H 81 7.930 7.766 0.164 1
1 898 . 7 1 1 A 81 81 GLU HA H 81 4.030 4.078 -0.048 1
1 903 . 7 1 1 A 81 81 GLU CA C 81 59.000 58.931 0.069 1
1 904 . 7 1 1 A 81 81 GLU CB C 81 29.000 29.483 -0.483 1
1 906 . 7 1 1 A 81 81 GLU N N 81 121.000 121.287 -0.287 1
1 907 . 7 1 1 A 82 82 LEU H H 82 7.870 8.623 -0.753 1
1 908 . 7 1 1 A 82 82 LEU HA H 82 3.890 4.029 -0.139 1
1 918 . 7 1 1 A 82 82 LEU CA C 82 57.900 58.044 -0.144 1
1 919 . 7 1 1 A 82 82 LEU CB C 82 43.900 41.326 2.574 1
1 923 . 7 1 1 A 82 82 LEU N N 82 120.900 120.694 0.206 1
1 924 . 7 1 1 A 83 83 GLN H H 83 8.520 8.223 0.297 1
1 925 . 7 1 1 A 83 83 GLN HA H 83 3.900 3.935 -0.035 1
1 932 . 7 1 1 A 83 83 GLN CA C 83 59.200 59.155 0.045 1
1 933 . 7 1 1 A 83 83 GLN CB C 83 28.300 28.511 -0.211 1
1 935 . 7 1 1 A 83 83 GLN N N 83 118.300 118.041 0.259 1
1 937 . 7 1 1 A 84 84 ASP H H 84 8.140 8.057 0.083 1
1 938 . 7 1 1 A 84 84 ASP HA H 84 4.340 4.375 -0.035 1
1 941 . 7 1 1 A 84 84 ASP CA C 84 57.100 57.567 -0.467 1
1 942 . 7 1 1 A 84 84 ASP CB C 84 41.000 41.175 -0.175 1
1 943 . 7 1 1 A 84 84 ASP N N 84 119.700 119.434 0.266 1
1 944 . 7 1 1 A 85 85 ALA H H 85 7.740 8.165 -0.425 1
1 945 . 7 1 1 A 85 85 ALA HA H 85 3.810 3.834 -0.024 1
1 949 . 7 1 1 A 85 85 ALA CA C 85 54.600 55.282 -0.682 1
1 950 . 7 1 1 A 85 85 ALA CB C 85 16.200 17.749 -1.549 1
1 951 . 7 1 1 A 85 85 ALA N N 85 121.600 121.628 -0.028 1
1 952 . 7 1 1 A 86 86 LYS H H 86 8.070 7.556 0.514 1
1 953 . 7 1 1 A 86 86 LYS HA H 86 3.810 4.038 -0.228 1
1 962 . 7 1 1 A 86 86 LYS CA C 86 60.600 59.075 1.525 1
1 963 . 7 1 1 A 86 86 LYS CB C 86 33.300 31.724 1.576 1
1 967 . 7 1 1 A 86 86 LYS N N 86 120.200 116.298 3.902 1
1 968 . 7 1 1 A 87 87 LEU H H 87 7.780 7.888 -0.108 1
1 969 . 7 1 1 A 87 87 LEU HA H 87 4.160 4.009 0.151 1
1 979 . 7 1 1 A 87 87 LEU CA C 87 57.500 58.248 -0.748 1
1 980 . 7 1 1 A 87 87 LEU CB C 87 41.900 41.748 0.152 1
1 984 . 7 1 1 A 87 87 LEU N N 87 118.400 121.240 -2.840 1
1 985 . 7 1 1 A 88 88 LYS H H 88 7.900 8.087 -0.187 1
1 986 . 7 1 1 A 88 88 LYS HA H 88 3.960 4.079 -0.119 1
1 995 . 7 1 1 A 88 88 LYS CA C 88 59.200 59.100 0.100 1
1 996 . 7 1 1 A 88 88 LYS CB C 88 32.000 31.999 0.001 1
1 1000 . 7 1 1 A 88 88 LYS N N 88 118.700 117.502 1.198 1
1 1001 . 7 1 1 A 89 89 ALA H H 89 8.000 7.860 0.140 1
1 1002 . 7 1 1 A 89 89 ALA HA H 89 4.150 4.130 0.020 1
1 1006 . 7 1 1 A 89 89 ALA CA C 89 54.500 55.335 -0.835 1
1 1007 . 7 1 1 A 89 89 ALA CB C 89 17.800 18.398 -0.598 1
1 1008 . 7 1 1 A 89 89 ALA N N 89 122.400 121.752 0.648 1
1 1009 . 7 1 1 A 90 90 GLU H H 90 8.300 8.516 -0.216 1
1 1010 . 7 1 1 A 90 90 GLU HA H 90 3.930 4.160 -0.230 1
1 1015 . 7 1 1 A 90 90 GLU CA C 90 58.000 59.385 -1.385 1
1 1016 . 7 1 1 A 90 90 GLU CB C 90 29.700 29.398 0.302 1
1 1018 . 7 1 1 A 90 90 GLU N N 90 116.700 117.487 -0.787 1
1 1019 . 7 1 1 A 91 91 GLY H H 91 7.710 8.156 -0.446 1
1 1020 . 7 1 1 A 91 91 GLY HA2 H 91 4.070 4.114 -0.044 1
1 1021 . 7 1 1 A 91 91 GLY HA3 H 91 3.870 4.129 -0.259 1
1 1022 . 7 1 1 A 91 91 GLY CA C 91 45.500 45.890 -0.390 1
1 1023 . 7 1 1 A 91 91 GLY N N 91 106.000 109.630 -3.630 1
1 1024 . 7 1 1 A 92 92 LEU H H 92 7.640 7.753 -0.113 1
1 1025 . 7 1 1 A 92 92 LEU HA H 92 4.270 4.004 0.266 1
1 1035 . 7 1 1 A 92 92 LEU CA C 92 55.200 57.962 -2.762 1
1 1036 . 7 1 1 A 92 92 LEU CB C 92 42.100 41.710 0.390 1
1 1040 . 7 1 1 A 92 92 LEU N N 92 121.200 123.417 -2.217 1
1 1041 . 7 1 1 A 93 93 GLU H H 93 8.290 8.360 -0.070 1
1 1042 . 7 1 1 A 93 93 GLU HA H 93 4.130 4.321 -0.191 1
1 1047 . 7 1 1 A 93 93 GLU CA C 93 56.700 58.269 -1.569 1
1 1048 . 7 1 1 A 93 93 GLU CB C 93 29.700 30.041 -0.341 1
1 1050 . 7 1 1 A 93 93 GLU N N 93 120.200 116.778 3.422 1
1 1051 . 7 1 1 A 94 94 HIS H H 94 8.260 7.725 0.535 1
1 1052 . 7 1 1 A 94 94 HIS HA H 94 4.560 5.109 -0.549 1
1 1055 . 7 1 1 A 94 94 HIS CA C 94 55.400 53.619 1.781 1
1 1056 . 7 1 1 A 94 94 HIS CB C 94 29.700 29.802 -0.102 1
1 1057 . 7 1 1 A 94 94 HIS N N 94 118.900 114.334 4.566 1
1 1058 . 7 1 1 A 95 95 HIS H H 95 8.170 9.047 -0.877 1
1 1059 . 7 1 1 A 95 95 HIS HA H 95 4.410 4.783 -0.373 1
1 1062 . 7 1 1 A 95 95 HIS CA C 95 57.000 54.712 2.288 1
1 1063 . 7 1 1 A 95 95 HIS CB C 95 30.000 28.346 1.654 1
1 9 . 8 1 1 A 2 2 ASP H H 2 8.560 7.521 1.039 1
1 10 . 8 1 1 A 2 2 ASP HA H 2 4.850 4.795 0.055 1
1 13 . 8 1 1 A 2 2 ASP CA C 2 52.200 53.117 -0.917 1
1 14 . 8 1 1 A 2 2 ASP CB C 2 40.900 39.777 1.123 1
1 15 . 8 1 1 A 2 2 ASP N N 2 123.000 120.666 2.334 1
1 16 . 8 1 1 A 3 3 PRO HA H 3 4.380 4.259 0.121 1
1 23 . 8 1 1 A 3 3 PRO CA C 3 63.500 64.503 -1.003 1
1 24 . 8 1 1 A 3 3 PRO CB C 3 32.100 31.807 0.293 1
1 27 . 8 1 1 A 4 4 GLU H H 4 8.410 8.640 -0.230 1
1 28 . 8 1 1 A 4 4 GLU HA H 4 4.250 4.101 0.149 1
1 33 . 8 1 1 A 4 4 GLU CA C 4 55.900 58.255 -2.355 1
1 34 . 8 1 1 A 4 4 GLU CB C 4 30.100 29.645 0.455 1
1 36 . 8 1 1 A 4 4 GLU N N 4 118.300 117.386 0.914 1
1 37 . 8 1 1 A 5 5 ASP H H 5 8.030 7.654 0.376 1
1 38 . 8 1 1 A 5 5 ASP HA H 5 4.730 4.761 -0.031 1
1 41 . 8 1 1 A 5 5 ASP CA C 5 52.600 52.514 0.086 1
1 42 . 8 1 1 A 5 5 ASP CB C 5 41.700 40.507 1.193 1
1 43 . 8 1 1 A 5 5 ASP N N 5 123.700 120.246 3.454 1
1 44 . 8 1 1 A 6 6 PRO HA H 6 3.940 4.265 -0.325 1
1 51 . 8 1 1 A 6 6 PRO CA C 6 64.900 64.826 0.074 1
1 52 . 8 1 1 A 6 6 PRO CB C 6 31.000 31.680 -0.680 1
1 55 . 8 1 1 A 7 7 PHE H H 7 8.130 7.638 0.492 1
1 56 . 8 1 1 A 7 7 PHE HA H 7 4.220 4.107 0.113 1
1 64 . 8 1 1 A 7 7 PHE CA C 7 60.800 61.547 -0.747 1
1 65 . 8 1 1 A 7 7 PHE CB C 7 38.300 39.392 -1.092 1
1 69 . 8 1 1 A 7 7 PHE N N 7 117.200 118.744 -1.544 1
1 70 . 8 1 1 A 8 8 THR H H 8 7.830 8.242 -0.412 1
1 71 . 8 1 1 A 8 8 THR HA H 8 3.710 3.924 -0.214 1
1 76 . 8 1 1 A 8 8 THR CA C 8 66.200 67.005 -0.805 1
1 77 . 8 1 1 A 8 8 THR CB C 8 68.300 68.760 -0.460 1
1 79 . 8 1 1 A 8 8 THR N N 8 115.700 115.390 0.310 1
1 80 . 8 1 1 A 9 9 ARG H H 9 7.300 8.274 -0.974 1
1 81 . 8 1 1 A 9 9 ARG HA H 9 3.840 4.035 -0.195 1
1 89 . 8 1 1 A 9 9 ARG CA C 9 59.700 58.605 1.095 1
1 90 . 8 1 1 A 9 9 ARG CB C 9 30.400 29.905 0.495 1
1 93 . 8 1 1 A 9 9 ARG N N 9 121.400 120.192 1.208 1
1 95 . 8 1 1 A 10 10 TYR H H 10 8.480 7.990 0.490 1
1 96 . 8 1 1 A 10 10 TYR HA H 10 3.800 3.925 -0.125 1
1 103 . 8 1 1 A 10 10 TYR CA C 10 61.400 61.699 -0.299 1
1 104 . 8 1 1 A 10 10 TYR CB C 10 38.300 38.593 -0.293 1
1 107 . 8 1 1 A 10 10 TYR N N 10 121.700 121.323 0.377 1
1 108 . 8 1 1 A 11 11 ALA H H 11 8.500 8.226 0.274 1
1 109 . 8 1 1 A 11 11 ALA HA H 11 3.700 3.578 0.122 1
1 113 . 8 1 1 A 11 11 ALA CA C 11 54.400 54.904 -0.504 1
1 114 . 8 1 1 A 11 11 ALA CB C 11 17.300 17.670 -0.370 1
1 115 . 8 1 1 A 11 11 ALA N N 11 121.700 121.330 0.370 1
1 116 . 8 1 1 A 12 12 LEU H H 12 7.690 8.069 -0.379 1
1 117 . 8 1 1 A 12 12 LEU HA H 12 3.920 3.761 0.159 1
1 127 . 8 1 1 A 12 12 LEU CA C 12 57.100 57.818 -0.718 1
1 128 . 8 1 1 A 12 12 LEU CB C 12 41.500 40.990 0.510 1
1 132 . 8 1 1 A 12 12 LEU N N 12 120.900 118.592 2.308 1
1 133 . 8 1 1 A 13 13 ALA H H 13 8.010 7.867 0.143 1
1 134 . 8 1 1 A 13 13 ALA HA H 13 3.500 3.921 -0.421 1
1 138 . 8 1 1 A 13 13 ALA CA C 13 55.400 55.305 0.095 1
1 139 . 8 1 1 A 13 13 ALA CB C 13 17.400 17.933 -0.533 1
1 140 . 8 1 1 A 13 13 ALA N N 13 123.000 121.645 1.355 1
1 141 . 8 1 1 A 14 14 GLN H H 14 7.660 7.779 -0.119 1
1 142 . 8 1 1 A 14 14 GLN HA H 14 3.910 3.969 -0.059 1
1 149 . 8 1 1 A 14 14 GLN CA C 14 58.200 58.959 -0.759 1
1 150 . 8 1 1 A 14 14 GLN CB C 14 27.700 28.233 -0.533 1
1 152 . 8 1 1 A 14 14 GLN N N 14 114.000 117.067 -3.067 1
1 154 . 8 1 1 A 15 15 GLU H H 15 7.900 7.983 -0.083 1
1 155 . 8 1 1 A 15 15 GLU HA H 15 3.900 4.049 -0.149 1
1 160 . 8 1 1 A 15 15 GLU CA C 15 58.800 59.306 -0.506 1
1 161 . 8 1 1 A 15 15 GLU CB C 15 28.600 29.252 -0.652 1
1 163 . 8 1 1 A 15 15 GLU N N 15 122.400 120.687 1.713 1
1 164 . 8 1 1 A 16 16 HIS H H 16 8.220 8.006 0.214 1
1 165 . 8 1 1 A 16 16 HIS HA H 16 4.520 4.322 0.198 1
1 170 . 8 1 1 A 16 16 HIS CA C 16 59.700 58.695 1.005 1
1 171 . 8 1 1 A 16 16 HIS CB C 16 29.600 29.721 -0.121 1
1 174 . 8 1 1 A 16 16 HIS N N 16 119.100 118.909 0.191 1
1 175 . 8 1 1 A 17 17 LEU H H 17 8.090 8.253 -0.163 1
1 176 . 8 1 1 A 17 17 LEU HA H 17 3.870 3.848 0.022 1
1 186 . 8 1 1 A 17 17 LEU CA C 17 57.900 58.202 -0.302 1
1 187 . 8 1 1 A 17 17 LEU CB C 17 41.400 41.660 -0.260 1
1 191 . 8 1 1 A 17 17 LEU N N 17 120.500 119.954 0.546 1
1 192 . 8 1 1 A 18 18 LYS H H 18 7.960 8.099 -0.139 1
1 193 . 8 1 1 A 18 18 LYS HA H 18 4.030 4.137 -0.107 1
1 202 . 8 1 1 A 18 18 LYS CA C 18 58.400 58.474 -0.074 1
1 203 . 8 1 1 A 18 18 LYS CB C 18 31.800 32.548 -0.748 1
1 207 . 8 1 1 A 18 18 LYS N N 18 121.000 117.456 3.544 1
1 208 . 8 1 1 A 19 19 HIS H H 19 7.410 7.774 -0.364 1
1 209 . 8 1 1 A 19 19 HIS HA H 19 4.720 4.647 0.073 1
1 213 . 8 1 1 A 19 19 HIS CA C 19 54.700 55.580 -0.880 1
1 214 . 8 1 1 A 19 19 HIS CB C 19 28.500 29.747 -1.247 1
1 216 . 8 1 1 A 19 19 HIS N N 19 115.800 116.063 -0.263 1
1 217 . 8 1 1 A 20 20 ASP H H 20 8.010 8.156 -0.146 1
1 218 . 8 1 1 A 20 20 ASP HA H 20 4.370 4.266 0.104 1
1 221 . 8 1 1 A 20 20 ASP CA C 20 55.600 55.692 -0.092 1
1 222 . 8 1 1 A 20 20 ASP CB C 20 39.600 40.561 -0.961 1
1 223 . 8 1 1 A 20 20 ASP N N 20 115.900 118.161 -2.261 1
1 224 . 8 1 1 A 21 21 ASN H H 21 8.450 8.050 0.400 1
1 225 . 8 1 1 A 21 21 ASN HA H 21 5.130 4.967 0.163 1
1 230 . 8 1 1 A 21 21 ASN CA C 21 50.600 52.089 -1.489 1
1 231 . 8 1 1 A 21 21 ASN CB C 21 37.000 36.564 0.436 1
1 232 . 8 1 1 A 21 21 ASN N N 21 118.700 118.830 -0.130 1
1 234 . 8 1 1 A 22 22 ALA H H 22 8.010 8.429 -0.419 1
1 235 . 8 1 1 A 22 22 ALA HA H 22 3.840 4.060 -0.220 1
1 239 . 8 1 1 A 22 22 ALA CA C 22 55.300 54.980 0.320 1
1 240 . 8 1 1 A 22 22 ALA CB C 22 18.300 18.459 -0.159 1
1 241 . 8 1 1 A 22 22 ALA N N 22 123.300 126.371 -3.071 1
1 242 . 8 1 1 A 23 23 SER H H 23 8.670 8.025 0.645 1
1 243 . 8 1 1 A 23 23 SER HA H 23 4.070 4.105 -0.035 1
1 246 . 8 1 1 A 23 23 SER CA C 23 61.800 61.435 0.365 1
1 247 . 8 1 1 A 23 23 SER CB C 23 61.900 62.919 -1.019 1
1 248 . 8 1 1 A 23 23 SER N N 23 112.500 113.059 -0.559 1
1 249 . 8 1 1 A 24 24 ARG H H 24 7.230 7.825 -0.595 1
1 250 . 8 1 1 A 24 24 ARG HA H 24 3.960 3.866 0.094 1
1 257 . 8 1 1 A 24 24 ARG CA C 24 57.000 59.687 -2.687 1
1 258 . 8 1 1 A 24 24 ARG CB C 24 29.100 29.830 -0.730 1
1 261 . 8 1 1 A 24 24 ARG N N 24 122.300 121.455 0.845 1
1 262 . 8 1 1 A 25 25 ALA H H 25 7.340 7.674 -0.334 1
1 263 . 8 1 1 A 25 25 ALA HA H 25 3.570 4.031 -0.461 1
1 267 . 8 1 1 A 25 25 ALA CA C 25 55.300 55.045 0.255 1
1 268 . 8 1 1 A 25 25 ALA CB C 25 18.700 18.154 0.546 1
1 269 . 8 1 1 A 25 25 ALA N N 25 120.200 121.645 -1.445 1
1 270 . 8 1 1 A 26 26 LEU H H 26 8.420 8.255 0.165 1
1 271 . 8 1 1 A 26 26 LEU HA H 26 3.800 4.208 -0.408 1
1 281 . 8 1 1 A 26 26 LEU CA C 26 58.300 57.890 0.410 1
1 282 . 8 1 1 A 26 26 LEU CB C 26 41.800 41.387 0.413 1
1 286 . 8 1 1 A 26 26 LEU N N 26 116.500 120.155 -3.655 1
1 287 . 8 1 1 A 27 27 ALA H H 27 7.190 8.223 -1.033 1
1 288 . 8 1 1 A 27 27 ALA HA H 27 4.120 4.011 0.109 1
1 292 . 8 1 1 A 27 27 ALA CA C 27 54.700 55.192 -0.492 1
1 293 . 8 1 1 A 27 27 ALA CB C 27 18.000 18.250 -0.250 1
1 294 . 8 1 1 A 27 27 ALA N N 27 118.200 120.471 -2.271 1
1 295 . 8 1 1 A 28 28 LEU H H 28 7.500 7.760 -0.260 1
1 296 . 8 1 1 A 28 28 LEU HA H 28 4.070 3.936 0.134 1
1 306 . 8 1 1 A 28 28 LEU CA C 28 57.600 57.807 -0.207 1
1 307 . 8 1 1 A 28 28 LEU CB C 28 43.100 41.910 1.190 1
1 311 . 8 1 1 A 28 28 LEU N N 28 118.300 119.900 -1.600 1
1 312 . 8 1 1 A 29 29 PHE H H 29 8.690 8.440 0.250 1
1 313 . 8 1 1 A 29 29 PHE HA H 29 4.630 4.403 0.227 1
1 321 . 8 1 1 A 29 29 PHE CA C 29 58.700 60.731 -2.031 1
1 322 . 8 1 1 A 29 29 PHE CB C 29 40.300 38.517 1.783 1
1 326 . 8 1 1 A 29 29 PHE N N 29 119.000 117.592 1.408 1
1 327 . 8 1 1 A 30 30 GLU H H 30 8.990 8.507 0.483 1
1 328 . 8 1 1 A 30 30 GLU HA H 30 3.790 3.888 -0.098 1
1 333 . 8 1 1 A 30 30 GLU CA C 30 60.100 59.951 0.149 1
1 334 . 8 1 1 A 30 30 GLU CB C 30 29.100 29.284 -0.184 1
1 336 . 8 1 1 A 30 30 GLU N N 30 117.400 118.218 -0.818 1
1 337 . 8 1 1 A 31 31 GLU H H 31 7.830 8.005 -0.175 1
1 338 . 8 1 1 A 31 31 GLU HA H 31 4.160 4.042 0.118 1
1 343 . 8 1 1 A 31 31 GLU CA C 31 58.800 59.153 -0.353 1
1 344 . 8 1 1 A 31 31 GLU CB C 31 29.900 29.358 0.542 1
1 346 . 8 1 1 A 31 31 GLU N N 31 119.500 120.258 -0.758 1
1 347 . 8 1 1 A 32 32 LEU H H 32 7.920 8.544 -0.624 1
1 348 . 8 1 1 A 32 32 LEU HA H 32 4.130 4.102 0.028 1
1 358 . 8 1 1 A 32 32 LEU CA C 32 58.200 58.151 0.049 1
1 359 . 8 1 1 A 32 32 LEU CB C 32 43.000 41.668 1.332 1
1 363 . 8 1 1 A 32 32 LEU N N 32 122.000 120.119 1.881 1
1 364 . 8 1 1 A 33 33 VAL H H 33 7.460 8.022 -0.562 1
1 365 . 8 1 1 A 33 33 VAL HA H 33 3.590 3.458 0.132 1
1 373 . 8 1 1 A 33 33 VAL CA C 33 65.800 66.980 -1.180 1
1 374 . 8 1 1 A 33 33 VAL CB C 33 31.500 31.297 0.203 1
1 377 . 8 1 1 A 33 33 VAL N N 33 116.000 120.389 -4.389 1
1 378 . 8 1 1 A 34 34 GLU H H 34 7.210 8.193 -0.983 1
1 379 . 8 1 1 A 34 34 GLU HA H 34 4.130 4.145 -0.015 1
1 384 . 8 1 1 A 34 34 GLU CA C 34 58.500 59.062 -0.562 1
1 385 . 8 1 1 A 34 34 GLU CB C 34 29.900 29.218 0.682 1
1 387 . 8 1 1 A 34 34 GLU N N 34 117.400 119.636 -2.236 1
1 388 . 8 1 1 A 35 35 THR H H 35 9.100 7.890 1.210 1
1 389 . 8 1 1 A 35 35 THR HA H 35 4.180 4.318 -0.138 1
1 394 . 8 1 1 A 35 35 THR CA C 35 63.900 63.592 0.308 1
1 395 . 8 1 1 A 35 35 THR CB C 35 69.300 69.275 0.025 1
1 397 . 8 1 1 A 35 35 THR N N 35 109.900 111.624 -1.724 1
1 398 . 8 1 1 A 36 36 ASP H H 36 8.630 8.106 0.524 1
1 399 . 8 1 1 A 36 36 ASP HA H 36 5.300 5.131 0.169 1
1 402 . 8 1 1 A 36 36 ASP CA C 36 52.700 51.623 1.077 1
1 403 . 8 1 1 A 36 36 ASP CB C 36 42.400 41.521 0.879 1
1 404 . 8 1 1 A 36 36 ASP N N 36 122.800 120.428 2.372 1
1 405 . 8 1 1 A 37 37 PRO HA H 37 4.560 4.557 0.003 1
1 412 . 8 1 1 A 37 37 PRO CA C 37 64.400 64.517 -0.117 1
1 413 . 8 1 1 A 37 37 PRO CB C 37 31.100 32.185 -1.085 1
1 416 . 8 1 1 A 38 38 ASP H H 38 8.630 8.664 -0.034 1
1 417 . 8 1 1 A 38 38 ASP HA H 38 4.570 4.587 -0.017 1
1 420 . 8 1 1 A 38 38 ASP CA C 38 53.800 55.694 -1.894 1
1 421 . 8 1 1 A 38 38 ASP CB C 38 39.500 41.185 -1.685 1
1 422 . 8 1 1 A 38 38 ASP N N 38 113.700 117.618 -3.918 1
1 423 . 8 1 1 A 39 39 TYR H H 39 8.110 7.830 0.280 1
1 424 . 8 1 1 A 39 39 TYR HA H 39 4.540 4.731 -0.191 1
1 431 . 8 1 1 A 39 39 TYR CA C 39 58.500 56.215 2.285 1
1 432 . 8 1 1 A 39 39 TYR CB C 39 36.500 37.687 -1.187 1
1 435 . 8 1 1 A 39 39 TYR N N 39 123.700 121.978 1.722 1
1 436 . 8 1 1 A 40 40 VAL H H 40 7.880 7.868 0.012 1
1 437 . 8 1 1 A 40 40 VAL HA H 40 3.770 3.898 -0.128 1
1 445 . 8 1 1 A 40 40 VAL CA C 40 65.000 66.426 -1.426 1
1 446 . 8 1 1 A 40 40 VAL CB C 40 32.500 31.580 0.920 1
1 449 . 8 1 1 A 40 40 VAL N N 40 128.100 125.641 2.459 1
1 450 . 8 1 1 A 41 41 GLY H H 41 7.530 7.956 -0.426 1
1 451 . 8 1 1 A 41 41 GLY HA2 H 41 3.410 3.466 -0.056 1
1 452 . 8 1 1 A 41 41 GLY HA3 H 41 3.880 3.787 0.093 1
1 453 . 8 1 1 A 41 41 GLY CA C 41 46.400 47.044 -0.644 1
1 454 . 8 1 1 A 41 41 GLY N N 41 105.900 108.306 -2.406 1
1 455 . 8 1 1 A 42 42 THR H H 42 7.150 7.274 -0.124 1
1 456 . 8 1 1 A 42 42 THR HA H 42 3.580 4.205 -0.625 1
1 462 . 8 1 1 A 42 42 THR CA C 42 65.600 66.931 -1.331 1
1 463 . 8 1 1 A 42 42 THR CB C 42 68.900 68.721 0.179 1
1 465 . 8 1 1 A 42 42 THR N N 42 111.900 118.109 -6.209 1
1 466 . 8 1 1 A 43 43 TYR H H 43 7.040 8.279 -1.239 1
1 467 . 8 1 1 A 43 43 TYR HA H 43 3.460 4.322 -0.862 1
1 474 . 8 1 1 A 43 43 TYR CA C 43 64.100 60.520 3.580 1
1 475 . 8 1 1 A 43 43 TYR CB C 43 38.300 38.365 -0.065 1
1 478 . 8 1 1 A 43 43 TYR N N 43 113.500 120.871 -7.371 1
1 479 . 8 1 1 A 44 44 TYR H H 44 9.770 8.490 1.280 1
1 480 . 8 1 1 A 44 44 TYR HA H 44 3.990 4.406 -0.416 1
1 487 . 8 1 1 A 44 44 TYR CA C 44 61.900 62.061 -0.161 1
1 488 . 8 1 1 A 44 44 TYR CB C 44 38.800 38.648 0.152 1
1 491 . 8 1 1 A 44 44 TYR N N 44 119.800 120.371 -0.571 1
1 492 . 8 1 1 A 45 45 HIS H H 45 6.380 8.114 -1.734 1
1 493 . 8 1 1 A 45 45 HIS HA H 45 3.770 4.212 -0.442 1
1 498 . 8 1 1 A 45 45 HIS CA C 45 58.500 59.445 -0.945 1
1 499 . 8 1 1 A 45 45 HIS CB C 45 31.600 30.039 1.561 1
1 502 . 8 1 1 A 45 45 HIS N N 45 114.500 118.008 -3.508 1
1 503 . 8 1 1 A 46 46 LEU H H 46 8.360 8.585 -0.225 1
1 504 . 8 1 1 A 46 46 LEU HA H 46 3.660 3.316 0.344 1
1 514 . 8 1 1 A 46 46 LEU CA C 46 57.100 57.566 -0.466 1
1 515 . 8 1 1 A 46 46 LEU CB C 46 40.800 41.517 -0.717 1
1 519 . 8 1 1 A 46 46 LEU N N 46 121.100 120.455 0.645 1
1 520 . 8 1 1 A 47 47 GLY H H 47 8.440 8.387 0.053 1
1 521 . 8 1 1 A 47 47 GLY HA2 H 47 3.350 3.393 -0.043 1
1 522 . 8 1 1 A 47 47 GLY HA3 H 47 3.530 3.651 -0.121 1
1 523 . 8 1 1 A 47 47 GLY CA C 47 47.200 46.913 0.287 1
1 524 . 8 1 1 A 47 47 GLY N N 47 106.500 106.864 -0.364 1
1 525 . 8 1 1 A 48 48 LYS H H 48 7.970 7.694 0.276 1
1 526 . 8 1 1 A 48 48 LYS HA H 48 3.800 3.934 -0.134 1
1 535 . 8 1 1 A 48 48 LYS CA C 48 58.200 59.281 -1.081 1
1 536 . 8 1 1 A 48 48 LYS CB C 48 31.600 32.044 -0.444 1
1 540 . 8 1 1 A 48 48 LYS N N 48 120.500 121.788 -1.288 1
1 541 . 8 1 1 A 49 49 LEU H H 49 7.800 7.334 0.466 1
1 542 . 8 1 1 A 49 49 LEU HA H 49 4.170 3.881 0.289 1
1 552 . 8 1 1 A 49 49 LEU CA C 49 57.500 57.458 0.042 1
1 553 . 8 1 1 A 49 49 LEU CB C 49 41.000 41.508 -0.508 1
1 557 . 8 1 1 A 49 49 LEU N N 49 124.000 121.071 2.929 1
1 558 . 8 1 1 A 50 50 TYR H H 50 8.610 8.041 0.569 1
1 559 . 8 1 1 A 50 50 TYR HA H 50 4.420 4.336 0.084 1
1 566 . 8 1 1 A 50 50 TYR CA C 50 59.600 60.680 -1.080 1
1 567 . 8 1 1 A 50 50 TYR CB C 50 35.600 38.086 -2.486 1
1 570 . 8 1 1 A 50 50 TYR N N 50 119.000 118.752 0.248 1
1 571 . 8 1 1 A 51 51 GLU H H 51 8.410 8.425 -0.015 1
1 572 . 8 1 1 A 51 51 GLU HA H 51 3.760 3.873 -0.113 1
1 577 . 8 1 1 A 51 51 GLU CA C 51 61.600 60.020 1.580 1
1 578 . 8 1 1 A 51 51 GLU CB C 51 29.800 29.374 0.426 1
1 580 . 8 1 1 A 51 51 GLU N N 51 118.600 118.961 -0.361 1
1 581 . 8 1 1 A 52 52 ARG H H 52 7.910 7.898 0.012 1
1 582 . 8 1 1 A 52 52 ARG HA H 52 4.150 4.084 0.066 1
1 589 . 8 1 1 A 52 52 ARG CA C 52 58.600 58.740 -0.140 1
1 590 . 8 1 1 A 52 52 ARG CB C 52 29.600 29.785 -0.185 1
1 593 . 8 1 1 A 52 52 ARG N N 52 122.200 120.531 1.669 1
1 594 . 8 1 1 A 53 53 LEU H H 53 7.740 7.454 0.286 1
1 595 . 8 1 1 A 53 53 LEU HA H 53 4.400 4.366 0.034 1
1 605 . 8 1 1 A 53 53 LEU CA C 53 54.100 54.598 -0.498 1
1 606 . 8 1 1 A 53 53 LEU CB C 53 41.400 41.874 -0.474 1
1 610 . 8 1 1 A 53 53 LEU N N 53 119.400 117.889 1.511 1
1 611 . 8 1 1 A 54 54 ASP H H 54 8.090 8.339 -0.249 1
1 612 . 8 1 1 A 54 54 ASP HA H 54 4.410 4.234 0.176 1
1 615 . 8 1 1 A 54 54 ASP CA C 54 55.500 55.543 -0.043 1
1 616 . 8 1 1 A 54 54 ASP CB C 54 38.900 40.587 -1.687 1
1 617 . 8 1 1 A 54 54 ASP N N 54 116.300 118.364 -2.064 1
1 618 . 8 1 1 A 55 55 ARG H H 55 8.420 8.245 0.175 1
1 619 . 8 1 1 A 55 55 ARG HA H 55 4.680 4.545 0.135 1
1 627 . 8 1 1 A 55 55 ARG CA C 55 54.000 54.136 -0.136 1
1 628 . 8 1 1 A 55 55 ARG CB C 55 29.800 28.018 1.782 1
1 631 . 8 1 1 A 55 55 ARG N N 55 120.800 120.489 0.311 1
1 633 . 8 1 1 A 56 56 THR H H 56 7.870 7.808 0.062 1
1 634 . 8 1 1 A 56 56 THR HA H 56 3.510 3.757 -0.247 1
1 639 . 8 1 1 A 56 56 THR CA C 56 67.500 67.343 0.157 1
1 640 . 8 1 1 A 56 56 THR CB C 56 68.000 68.640 -0.640 1
1 642 . 8 1 1 A 56 56 THR N N 56 117.300 116.791 0.509 1
1 643 . 8 1 1 A 57 57 ASP H H 57 8.450 8.347 0.103 1
1 644 . 8 1 1 A 57 57 ASP HA H 57 4.260 4.284 -0.024 1
1 647 . 8 1 1 A 57 57 ASP CA C 57 57.900 57.453 0.447 1
1 648 . 8 1 1 A 57 57 ASP CB C 57 39.100 40.447 -1.347 1
1 649 . 8 1 1 A 57 57 ASP N N 57 120.300 120.513 -0.213 1
1 650 . 8 1 1 A 58 58 ASP H H 58 7.540 8.163 -0.623 1
1 651 . 8 1 1 A 58 58 ASP HA H 58 4.170 4.066 0.104 1
1 654 . 8 1 1 A 58 58 ASP CA C 58 56.900 56.942 -0.042 1
1 655 . 8 1 1 A 58 58 ASP CB C 58 38.400 39.762 -1.362 1
1 656 . 8 1 1 A 58 58 ASP N N 58 120.200 119.616 0.584 1
1 657 . 8 1 1 A 59 59 ALA H H 59 8.110 7.262 0.848 1
1 658 . 8 1 1 A 59 59 ALA HA H 59 3.760 3.860 -0.100 1
1 662 . 8 1 1 A 59 59 ALA CA C 59 56.000 54.890 1.110 1
1 663 . 8 1 1 A 59 59 ALA CB C 59 19.200 18.121 1.079 1
1 664 . 8 1 1 A 59 59 ALA N N 59 124.700 121.699 3.001 1
1 665 . 8 1 1 A 60 60 ILE H H 60 8.230 7.815 0.415 1
1 666 . 8 1 1 A 60 60 ILE HA H 60 3.520 3.726 -0.206 1
1 676 . 8 1 1 A 60 60 ILE CA C 60 66.800 65.343 1.457 1
1 677 . 8 1 1 A 60 60 ILE CB C 60 38.400 37.715 0.685 1
1 681 . 8 1 1 A 60 60 ILE N N 60 117.600 118.856 -1.256 1
1 682 . 8 1 1 A 61 61 ASP H H 61 7.750 8.020 -0.270 1
1 683 . 8 1 1 A 61 61 ASP HA H 61 4.440 4.355 0.085 1
1 686 . 8 1 1 A 61 61 ASP CA C 61 57.100 57.255 -0.155 1
1 687 . 8 1 1 A 61 61 ASP CB C 61 40.500 39.961 0.539 1
1 688 . 8 1 1 A 61 61 ASP N N 61 118.300 120.152 -1.852 1
1 689 . 8 1 1 A 62 62 THR H H 62 8.040 7.626 0.414 1
1 690 . 8 1 1 A 62 62 THR HA H 62 4.070 4.048 0.022 1
1 695 . 8 1 1 A 62 62 THR CA C 62 68.000 66.457 1.543 1
1 696 . 8 1 1 A 62 62 THR CB C 62 68.600 68.495 0.105 1
1 698 . 8 1 1 A 62 62 THR N N 62 119.800 117.037 2.763 1
1 699 . 8 1 1 A 63 63 TYR H H 63 8.970 8.259 0.711 1
1 700 . 8 1 1 A 63 63 TYR HA H 63 4.480 4.529 -0.049 1
1 707 . 8 1 1 A 63 63 TYR CA C 63 59.200 60.433 -1.233 1
1 708 . 8 1 1 A 63 63 TYR CB C 63 37.700 37.171 0.529 1
1 711 . 8 1 1 A 63 63 TYR N N 63 121.700 120.913 0.787 1
1 712 . 8 1 1 A 64 64 ALA H H 64 8.690 8.338 0.352 1
1 713 . 8 1 1 A 64 64 ALA HA H 64 4.000 4.103 -0.103 1
1 717 . 8 1 1 A 64 64 ALA CA C 64 55.500 55.279 0.221 1
1 718 . 8 1 1 A 64 64 ALA CB C 64 17.800 18.244 -0.444 1
1 719 . 8 1 1 A 64 64 ALA N N 64 119.400 122.411 -3.011 1
1 720 . 8 1 1 A 65 65 GLN H H 65 8.100 7.985 0.115 1
1 721 . 8 1 1 A 65 65 GLN HA H 65 4.010 3.937 0.073 1
1 728 . 8 1 1 A 65 65 GLN CA C 65 58.600 59.197 -0.597 1
1 729 . 8 1 1 A 65 65 GLN CB C 65 28.500 28.003 0.497 1
1 731 . 8 1 1 A 65 65 GLN N N 65 119.600 118.137 1.463 1
1 733 . 8 1 1 A 66 66 GLY H H 66 8.430 7.990 0.440 1
1 734 . 8 1 1 A 66 66 GLY HA2 H 66 3.080 2.599 0.481 1
1 735 . 8 1 1 A 66 66 GLY HA3 H 66 2.520 3.155 -0.635 1
1 736 . 8 1 1 A 66 66 GLY CA C 66 46.800 46.686 0.114 1
1 737 . 8 1 1 A 66 66 GLY N N 66 108.200 106.439 1.761 1
1 738 . 8 1 1 A 67 67 ILE H H 67 8.570 8.458 0.112 1
1 739 . 8 1 1 A 67 67 ILE HA H 67 3.320 3.780 -0.460 1
1 749 . 8 1 1 A 67 67 ILE CA C 67 65.900 64.203 1.697 1
1 750 . 8 1 1 A 67 67 ILE CB C 67 38.400 37.295 1.105 1
1 754 . 8 1 1 A 67 67 ILE N N 67 123.500 122.381 1.119 1
1 755 . 8 1 1 A 68 68 GLU H H 68 7.030 7.927 -0.897 1
1 756 . 8 1 1 A 68 68 GLU HA H 68 3.960 3.996 -0.036 1
1 761 . 8 1 1 A 68 68 GLU CA C 68 58.700 59.362 -0.662 1
1 762 . 8 1 1 A 68 68 GLU CB C 68 28.500 29.381 -0.881 1
1 764 . 8 1 1 A 68 68 GLU N N 68 116.500 119.212 -2.712 1
1 765 . 8 1 1 A 69 69 VAL H H 69 7.440 7.346 0.094 1
1 766 . 8 1 1 A 69 69 VAL HA H 69 3.740 3.916 -0.176 1
1 774 . 8 1 1 A 69 69 VAL CA C 69 65.700 64.038 1.662 1
1 775 . 8 1 1 A 69 69 VAL CB C 69 32.000 31.523 0.477 1
1 778 . 8 1 1 A 69 69 VAL N N 69 119.500 116.141 3.359 1
1 779 . 8 1 1 A 70 70 ALA H H 70 9.290 8.360 0.930 1
1 780 . 8 1 1 A 70 70 ALA HA H 70 3.820 3.992 -0.172 1
1 784 . 8 1 1 A 70 70 ALA CA C 70 54.400 55.651 -1.251 1
1 785 . 8 1 1 A 70 70 ALA CB C 70 18.000 18.285 -0.285 1
1 786 . 8 1 1 A 70 70 ALA N N 70 122.500 124.021 -1.521 1
1 787 . 8 1 1 A 71 71 ARG H H 71 8.280 8.132 0.148 1
1 788 . 8 1 1 A 71 71 ARG HA H 71 3.870 4.028 -0.158 1
1 796 . 8 1 1 A 71 71 ARG CA C 71 59.500 59.004 0.496 1
1 797 . 8 1 1 A 71 71 ARG CB C 71 30.000 30.130 -0.130 1
1 800 . 8 1 1 A 71 71 ARG N N 71 116.900 117.094 -0.194 1
1 802 . 8 1 1 A 72 72 GLU H H 72 7.390 7.630 -0.240 1
1 803 . 8 1 1 A 72 72 GLU HA H 72 4.300 4.207 0.093 1
1 808 . 8 1 1 A 72 72 GLU CA C 72 57.700 58.633 -0.933 1
1 809 . 8 1 1 A 72 72 GLU CB C 72 30.500 30.206 0.294 1
1 811 . 8 1 1 A 72 72 GLU N N 72 116.800 118.809 -2.009 1
1 812 . 8 1 1 A 73 73 GLU H H 73 8.490 8.102 0.388 1
1 813 . 8 1 1 A 73 73 GLU HA H 73 4.550 4.184 0.366 1
1 818 . 8 1 1 A 73 73 GLU CA C 73 55.900 59.202 -3.302 1
1 819 . 8 1 1 A 73 73 GLU CB C 73 30.800 30.066 0.734 1
1 821 . 8 1 1 A 73 73 GLU N N 73 115.000 119.218 -4.218 1
1 822 . 8 1 1 A 74 74 GLY H H 74 8.070 7.714 0.356 1
1 823 . 8 1 1 A 74 74 GLY HA2 H 74 4.450 3.872 0.578 1
1 824 . 8 1 1 A 74 74 GLY HA3 H 74 3.830 3.881 -0.051 1
1 825 . 8 1 1 A 74 74 GLY CA C 74 44.600 44.677 -0.077 1
1 826 . 8 1 1 A 74 74 GLY N N 74 108.100 109.186 -1.086 1
1 827 . 8 1 1 A 75 75 THR H H 75 8.760 7.456 1.304 1
1 828 . 8 1 1 A 75 75 THR HA H 75 4.670 4.566 0.104 1
1 833 . 8 1 1 A 75 75 THR CA C 75 59.000 60.452 -1.452 1
1 834 . 8 1 1 A 75 75 THR CB C 75 70.900 69.832 1.068 1
1 836 . 8 1 1 A 75 75 THR N N 75 111.400 114.790 -3.390 1
1 837 . 8 1 1 A 76 76 GLN H H 76 8.710 8.773 -0.063 1
1 838 . 8 1 1 A 76 76 GLN HA H 76 3.940 3.944 -0.004 1
1 845 . 8 1 1 A 76 76 GLN CA C 76 58.700 58.964 -0.264 1
1 846 . 8 1 1 A 76 76 GLN CB C 76 27.900 28.267 -0.367 1
1 848 . 8 1 1 A 76 76 GLN N N 76 123.100 125.350 -2.250 1
1 850 . 8 1 1 A 77 77 LYS H H 77 8.240 8.238 0.002 1
1 851 . 8 1 1 A 77 77 LYS HA H 77 4.000 4.009 -0.009 1
1 860 . 8 1 1 A 77 77 LYS CA C 77 59.200 59.714 -0.514 1
1 861 . 8 1 1 A 77 77 LYS CB C 77 31.900 32.158 -0.258 1
1 865 . 8 1 1 A 77 77 LYS N N 77 121.000 119.122 1.878 1
1 866 . 8 1 1 A 78 78 ASP H H 78 7.390 8.182 -0.792 1
1 867 . 8 1 1 A 78 78 ASP HA H 78 4.170 4.436 -0.266 1
1 870 . 8 1 1 A 78 78 ASP CA C 78 57.000 57.247 -0.247 1
1 871 . 8 1 1 A 78 78 ASP CB C 78 41.400 40.559 0.841 1
1 872 . 8 1 1 A 78 78 ASP N N 78 117.800 119.759 -1.959 1
1 873 . 8 1 1 A 79 79 LEU H H 79 7.690 7.859 -0.169 1
1 874 . 8 1 1 A 79 79 LEU HA H 79 3.770 4.041 -0.271 1
1 884 . 8 1 1 A 79 79 LEU CA C 79 58.100 58.194 -0.094 1
1 885 . 8 1 1 A 79 79 LEU CB C 79 42.100 41.354 0.746 1
1 889 . 8 1 1 A 79 79 LEU N N 79 118.400 122.383 -3.983 1
1 890 . 8 1 1 A 80 80 SER H H 80 8.400 8.365 0.035 1
1 891 . 8 1 1 A 80 80 SER HA H 80 4.170 4.023 0.147 1
1 894 . 8 1 1 A 80 80 SER CA C 80 61.500 61.481 0.019 1
1 895 . 8 1 1 A 80 80 SER CB C 80 62.500 62.772 -0.272 1
1 896 . 8 1 1 A 80 80 SER N N 80 114.000 114.694 -0.694 1
1 897 . 8 1 1 A 81 81 GLU H H 81 7.930 7.457 0.473 1
1 898 . 8 1 1 A 81 81 GLU HA H 81 4.030 3.998 0.032 1
1 903 . 8 1 1 A 81 81 GLU CA C 81 59.000 59.086 -0.086 1
1 904 . 8 1 1 A 81 81 GLU CB C 81 29.000 29.020 -0.020 1
1 906 . 8 1 1 A 81 81 GLU N N 81 121.000 122.227 -1.227 1
1 907 . 8 1 1 A 82 82 LEU H H 82 7.870 8.317 -0.447 1
1 908 . 8 1 1 A 82 82 LEU HA H 82 3.890 3.978 -0.088 1
1 918 . 8 1 1 A 82 82 LEU CA C 82 57.900 57.997 -0.097 1
1 919 . 8 1 1 A 82 82 LEU CB C 82 43.900 41.346 2.554 1
1 923 . 8 1 1 A 82 82 LEU N N 82 120.900 120.104 0.796 1
1 924 . 8 1 1 A 83 83 GLN H H 83 8.520 8.344 0.176 1
1 925 . 8 1 1 A 83 83 GLN HA H 83 3.900 3.844 0.056 1
1 932 . 8 1 1 A 83 83 GLN CA C 83 59.200 59.116 0.084 1
1 933 . 8 1 1 A 83 83 GLN CB C 83 28.300 28.395 -0.095 1
1 935 . 8 1 1 A 83 83 GLN N N 83 118.300 118.580 -0.280 1
1 937 . 8 1 1 A 84 84 ASP H H 84 8.140 8.585 -0.445 1
1 938 . 8 1 1 A 84 84 ASP HA H 84 4.340 4.360 -0.020 1
1 941 . 8 1 1 A 84 84 ASP CA C 84 57.100 57.684 -0.584 1
1 942 . 8 1 1 A 84 84 ASP CB C 84 41.000 42.173 -1.173 1
1 943 . 8 1 1 A 84 84 ASP N N 84 119.700 119.511 0.189 1
1 944 . 8 1 1 A 85 85 ALA H H 85 7.740 8.106 -0.366 1
1 945 . 8 1 1 A 85 85 ALA HA H 85 3.810 3.856 -0.046 1
1 949 . 8 1 1 A 85 85 ALA CA C 85 54.600 54.858 -0.258 1
1 950 . 8 1 1 A 85 85 ALA CB C 85 16.200 17.421 -1.221 1
1 951 . 8 1 1 A 85 85 ALA N N 85 121.600 121.455 0.145 1
1 952 . 8 1 1 A 86 86 LYS H H 86 8.070 7.632 0.438 1
1 953 . 8 1 1 A 86 86 LYS HA H 86 3.810 4.136 -0.326 1
1 962 . 8 1 1 A 86 86 LYS CA C 86 60.600 59.076 1.524 1
1 963 . 8 1 1 A 86 86 LYS CB C 86 33.300 31.793 1.507 1
1 967 . 8 1 1 A 86 86 LYS N N 86 120.200 116.314 3.886 1
1 968 . 8 1 1 A 87 87 LEU H H 87 7.780 8.002 -0.222 1
1 969 . 8 1 1 A 87 87 LEU HA H 87 4.160 3.992 0.168 1
1 979 . 8 1 1 A 87 87 LEU CA C 87 57.500 58.124 -0.624 1
1 980 . 8 1 1 A 87 87 LEU CB C 87 41.900 41.900 0.000 1
1 984 . 8 1 1 A 87 87 LEU N N 87 118.400 121.390 -2.990 1
1 985 . 8 1 1 A 88 88 LYS H H 88 7.900 8.091 -0.191 1
1 986 . 8 1 1 A 88 88 LYS HA H 88 3.960 4.012 -0.052 1
1 995 . 8 1 1 A 88 88 LYS CA C 88 59.200 58.936 0.264 1
1 996 . 8 1 1 A 88 88 LYS CB C 88 32.000 32.254 -0.254 1
1 1000 . 8 1 1 A 88 88 LYS N N 88 118.700 117.386 1.314 1
1 1001 . 8 1 1 A 89 89 ALA H H 89 8.000 7.949 0.051 1
1 1002 . 8 1 1 A 89 89 ALA HA H 89 4.150 4.107 0.043 1
1 1006 . 8 1 1 A 89 89 ALA CA C 89 54.500 55.341 -0.841 1
1 1007 . 8 1 1 A 89 89 ALA CB C 89 17.800 18.312 -0.512 1
1 1008 . 8 1 1 A 89 89 ALA N N 89 122.400 121.793 0.607 1
1 1009 . 8 1 1 A 90 90 GLU H H 90 8.300 8.476 -0.176 1
1 1010 . 8 1 1 A 90 90 GLU HA H 90 3.930 4.240 -0.310 1
1 1015 . 8 1 1 A 90 90 GLU CA C 90 58.000 58.878 -0.878 1
1 1016 . 8 1 1 A 90 90 GLU CB C 90 29.700 29.411 0.289 1
1 1018 . 8 1 1 A 90 90 GLU N N 90 116.700 116.542 0.158 1
1 1019 . 8 1 1 A 91 91 GLY H H 91 7.710 7.798 -0.088 1
1 1020 . 8 1 1 A 91 91 GLY HA2 H 91 4.070 3.988 0.082 1
1 1021 . 8 1 1 A 91 91 GLY HA3 H 91 3.870 3.998 -0.128 1
1 1022 . 8 1 1 A 91 91 GLY CA C 91 45.500 45.482 0.018 1
1 1023 . 8 1 1 A 91 91 GLY N N 91 106.000 108.664 -2.664 1
1 1024 . 8 1 1 A 92 92 LEU H H 92 7.640 7.388 0.252 1
1 1025 . 8 1 1 A 92 92 LEU HA H 92 4.270 3.948 0.322 1
1 1035 . 8 1 1 A 92 92 LEU CA C 92 55.200 57.636 -2.436 1
1 1036 . 8 1 1 A 92 92 LEU CB C 92 42.100 41.978 0.122 1
1 1040 . 8 1 1 A 92 92 LEU N N 92 121.200 121.710 -0.510 1
1 1041 . 8 1 1 A 93 93 GLU H H 93 8.290 7.696 0.594 1
1 1042 . 8 1 1 A 93 93 GLU HA H 93 4.130 4.436 -0.306 1
1 1047 . 8 1 1 A 93 93 GLU CA C 93 56.700 54.520 2.180 1
1 1048 . 8 1 1 A 93 93 GLU CB C 93 29.700 31.808 -2.108 1
1 1050 . 8 1 1 A 93 93 GLU N N 93 120.200 113.583 6.617 1
1 1051 . 8 1 1 A 94 94 HIS H H 94 8.260 8.448 -0.188 1
1 1052 . 8 1 1 A 94 94 HIS HA H 94 4.560 4.467 0.093 1
1 1055 . 8 1 1 A 94 94 HIS CA C 94 55.400 55.597 -0.197 1
1 1056 . 8 1 1 A 94 94 HIS CB C 94 29.700 29.170 0.530 1
1 1057 . 8 1 1 A 94 94 HIS N N 94 118.900 116.718 2.182 1
1 1058 . 8 1 1 A 95 95 HIS H H 95 8.170 7.632 0.538 1
1 1059 . 8 1 1 A 95 95 HIS HA H 95 4.410 4.555 -0.145 1
1 1062 . 8 1 1 A 95 95 HIS CA C 95 57.000 54.402 2.598 1
1 1063 . 8 1 1 A 95 95 HIS CB C 95 30.000 28.719 1.281 1
1 9 . 9 1 1 A 2 2 ASP H H 2 8.560 8.665 -0.105 1
1 10 . 9 1 1 A 2 2 ASP HA H 2 4.850 5.102 -0.252 1
1 13 . 9 1 1 A 2 2 ASP CA C 2 52.200 51.208 0.992 1
1 14 . 9 1 1 A 2 2 ASP CB C 2 40.900 41.355 -0.455 1
1 15 . 9 1 1 A 2 2 ASP N N 2 123.000 127.181 -4.181 1
1 16 . 9 1 1 A 3 3 PRO HA H 3 4.380 4.197 0.183 1
1 23 . 9 1 1 A 3 3 PRO CA C 3 63.500 65.606 -2.106 1
1 24 . 9 1 1 A 3 3 PRO CB C 3 32.100 31.754 0.346 1
1 27 . 9 1 1 A 4 4 GLU H H 4 8.410 8.573 -0.163 1
1 28 . 9 1 1 A 4 4 GLU HA H 4 4.250 4.114 0.136 1
1 33 . 9 1 1 A 4 4 GLU CA C 4 55.900 57.618 -1.718 1
1 34 . 9 1 1 A 4 4 GLU CB C 4 30.100 29.894 0.206 1
1 36 . 9 1 1 A 4 4 GLU N N 4 118.300 116.701 1.599 1
1 37 . 9 1 1 A 5 5 ASP H H 5 8.030 7.855 0.175 1
1 38 . 9 1 1 A 5 5 ASP HA H 5 4.730 4.724 0.006 1
1 41 . 9 1 1 A 5 5 ASP CA C 5 52.600 52.737 -0.137 1
1 42 . 9 1 1 A 5 5 ASP CB C 5 41.700 40.434 1.266 1
1 43 . 9 1 1 A 5 5 ASP N N 5 123.700 120.457 3.243 1
1 44 . 9 1 1 A 6 6 PRO HA H 6 3.940 4.333 -0.393 1
1 51 . 9 1 1 A 6 6 PRO CA C 6 64.900 65.843 -0.943 1
1 52 . 9 1 1 A 6 6 PRO CB C 6 31.000 31.280 -0.280 1
1 55 . 9 1 1 A 7 7 PHE H H 7 8.130 7.669 0.461 1
1 56 . 9 1 1 A 7 7 PHE HA H 7 4.220 4.050 0.170 1
1 64 . 9 1 1 A 7 7 PHE CA C 7 60.800 61.383 -0.583 1
1 65 . 9 1 1 A 7 7 PHE CB C 7 38.300 39.209 -0.909 1
1 69 . 9 1 1 A 7 7 PHE N N 7 117.200 118.432 -1.232 1
1 70 . 9 1 1 A 8 8 THR H H 8 7.830 8.226 -0.396 1
1 71 . 9 1 1 A 8 8 THR HA H 8 3.710 4.041 -0.331 1
1 76 . 9 1 1 A 8 8 THR CA C 8 66.200 66.917 -0.717 1
1 77 . 9 1 1 A 8 8 THR CB C 8 68.300 68.673 -0.373 1
1 79 . 9 1 1 A 8 8 THR N N 8 115.700 115.281 0.419 1
1 80 . 9 1 1 A 9 9 ARG H H 9 7.300 8.387 -1.087 1
1 81 . 9 1 1 A 9 9 ARG HA H 9 3.840 3.993 -0.153 1
1 89 . 9 1 1 A 9 9 ARG CA C 9 59.700 58.755 0.945 1
1 90 . 9 1 1 A 9 9 ARG CB C 9 30.400 30.135 0.265 1
1 93 . 9 1 1 A 9 9 ARG N N 9 121.400 120.222 1.178 1
1 95 . 9 1 1 A 10 10 TYR H H 10 8.480 8.260 0.220 1
1 96 . 9 1 1 A 10 10 TYR HA H 10 3.800 4.134 -0.334 1
1 103 . 9 1 1 A 10 10 TYR CA C 10 61.400 61.547 -0.147 1
1 104 . 9 1 1 A 10 10 TYR CB C 10 38.300 38.601 -0.301 1
1 107 . 9 1 1 A 10 10 TYR N N 10 121.700 121.671 0.029 1
1 108 . 9 1 1 A 11 11 ALA H H 11 8.500 8.180 0.320 1
1 109 . 9 1 1 A 11 11 ALA HA H 11 3.700 3.916 -0.216 1
1 113 . 9 1 1 A 11 11 ALA CA C 11 54.400 54.924 -0.524 1
1 114 . 9 1 1 A 11 11 ALA CB C 11 17.300 18.099 -0.799 1
1 115 . 9 1 1 A 11 11 ALA N N 11 121.700 121.515 0.185 1
1 116 . 9 1 1 A 12 12 LEU H H 12 7.690 8.249 -0.559 1
1 117 . 9 1 1 A 12 12 LEU HA H 12 3.920 3.807 0.113 1
1 127 . 9 1 1 A 12 12 LEU CA C 12 57.100 57.746 -0.646 1
1 128 . 9 1 1 A 12 12 LEU CB C 12 41.500 41.308 0.192 1
1 132 . 9 1 1 A 12 12 LEU N N 12 120.900 118.081 2.819 1
1 133 . 9 1 1 A 13 13 ALA H H 13 8.010 8.338 -0.328 1
1 134 . 9 1 1 A 13 13 ALA HA H 13 3.500 4.077 -0.577 1
1 138 . 9 1 1 A 13 13 ALA CA C 13 55.400 55.226 0.174 1
1 139 . 9 1 1 A 13 13 ALA CB C 13 17.400 18.160 -0.760 1
1 140 . 9 1 1 A 13 13 ALA N N 13 123.000 121.913 1.087 1
1 141 . 9 1 1 A 14 14 GLN H H 14 7.660 7.901 -0.241 1
1 142 . 9 1 1 A 14 14 GLN HA H 14 3.910 4.059 -0.149 1
1 149 . 9 1 1 A 14 14 GLN CA C 14 58.200 58.799 -0.599 1
1 150 . 9 1 1 A 14 14 GLN CB C 14 27.700 28.582 -0.882 1
1 152 . 9 1 1 A 14 14 GLN N N 14 114.000 117.194 -3.194 1
1 154 . 9 1 1 A 15 15 GLU H H 15 7.900 8.017 -0.117 1
1 155 . 9 1 1 A 15 15 GLU HA H 15 3.900 4.043 -0.143 1
1 160 . 9 1 1 A 15 15 GLU CA C 15 58.800 59.010 -0.210 1
1 161 . 9 1 1 A 15 15 GLU CB C 15 28.600 29.303 -0.703 1
1 163 . 9 1 1 A 15 15 GLU N N 15 122.400 121.176 1.224 1
1 164 . 9 1 1 A 16 16 HIS H H 16 8.220 7.718 0.502 1
1 165 . 9 1 1 A 16 16 HIS HA H 16 4.520 4.360 0.160 1
1 170 . 9 1 1 A 16 16 HIS CA C 16 59.700 59.446 0.254 1
1 171 . 9 1 1 A 16 16 HIS CB C 16 29.600 29.692 -0.092 1
1 174 . 9 1 1 A 16 16 HIS N N 16 119.100 118.704 0.396 1
1 175 . 9 1 1 A 17 17 LEU H H 17 8.090 8.345 -0.255 1
1 176 . 9 1 1 A 17 17 LEU HA H 17 3.870 3.848 0.022 1
1 186 . 9 1 1 A 17 17 LEU CA C 17 57.900 58.039 -0.139 1
1 187 . 9 1 1 A 17 17 LEU CB C 17 41.400 41.560 -0.160 1
1 191 . 9 1 1 A 17 17 LEU N N 17 120.500 119.952 0.548 1
1 192 . 9 1 1 A 18 18 LYS H H 18 7.960 7.923 0.037 1
1 193 . 9 1 1 A 18 18 LYS HA H 18 4.030 4.125 -0.095 1
1 202 . 9 1 1 A 18 18 LYS CA C 18 58.400 58.740 -0.340 1
1 203 . 9 1 1 A 18 18 LYS CB C 18 31.800 31.934 -0.134 1
1 207 . 9 1 1 A 18 18 LYS N N 18 121.000 117.292 3.708 1
1 208 . 9 1 1 A 19 19 HIS H H 19 7.410 7.614 -0.204 1
1 209 . 9 1 1 A 19 19 HIS HA H 19 4.720 4.618 0.102 1
1 213 . 9 1 1 A 19 19 HIS CA C 19 54.700 55.544 -0.844 1
1 214 . 9 1 1 A 19 19 HIS CB C 19 28.500 29.970 -1.470 1
1 216 . 9 1 1 A 19 19 HIS N N 19 115.800 115.249 0.551 1
1 217 . 9 1 1 A 20 20 ASP H H 20 8.010 8.174 -0.164 1
1 218 . 9 1 1 A 20 20 ASP HA H 20 4.370 4.192 0.178 1
1 221 . 9 1 1 A 20 20 ASP CA C 20 55.600 55.607 -0.007 1
1 222 . 9 1 1 A 20 20 ASP CB C 20 39.600 40.690 -1.090 1
1 223 . 9 1 1 A 20 20 ASP N N 20 115.900 118.359 -2.459 1
1 224 . 9 1 1 A 21 21 ASN H H 21 8.450 8.437 0.013 1
1 225 . 9 1 1 A 21 21 ASN HA H 21 5.130 4.986 0.144 1
1 230 . 9 1 1 A 21 21 ASN CA C 21 50.600 52.067 -1.467 1
1 231 . 9 1 1 A 21 21 ASN CB C 21 37.000 36.384 0.616 1
1 232 . 9 1 1 A 21 21 ASN N N 21 118.700 118.698 0.002 1
1 234 . 9 1 1 A 22 22 ALA H H 22 8.010 8.265 -0.255 1
1 235 . 9 1 1 A 22 22 ALA HA H 22 3.840 4.019 -0.179 1
1 239 . 9 1 1 A 22 22 ALA CA C 22 55.300 55.185 0.115 1
1 240 . 9 1 1 A 22 22 ALA CB C 22 18.300 18.263 0.037 1
1 241 . 9 1 1 A 22 22 ALA N N 22 123.300 125.042 -1.742 1
1 242 . 9 1 1 A 23 23 SER H H 23 8.670 7.989 0.681 1
1 243 . 9 1 1 A 23 23 SER HA H 23 4.070 4.158 -0.088 1
1 246 . 9 1 1 A 23 23 SER CA C 23 61.800 61.467 0.333 1
1 247 . 9 1 1 A 23 23 SER CB C 23 61.900 62.846 -0.946 1
1 248 . 9 1 1 A 23 23 SER N N 23 112.500 112.946 -0.446 1
1 249 . 9 1 1 A 24 24 ARG H H 24 7.230 7.478 -0.248 1
1 250 . 9 1 1 A 24 24 ARG HA H 24 3.960 3.892 0.068 1
1 257 . 9 1 1 A 24 24 ARG CA C 24 57.000 59.233 -2.233 1
1 258 . 9 1 1 A 24 24 ARG CB C 24 29.100 30.002 -0.902 1
1 261 . 9 1 1 A 24 24 ARG N N 24 122.300 121.409 0.891 1
1 262 . 9 1 1 A 25 25 ALA H H 25 7.340 8.097 -0.757 1
1 263 . 9 1 1 A 25 25 ALA HA H 25 3.570 3.982 -0.412 1
1 267 . 9 1 1 A 25 25 ALA CA C 25 55.300 55.101 0.199 1
1 268 . 9 1 1 A 25 25 ALA CB C 25 18.700 17.919 0.781 1
1 269 . 9 1 1 A 25 25 ALA N N 25 120.200 121.711 -1.511 1
1 270 . 9 1 1 A 26 26 LEU H H 26 8.420 8.350 0.070 1
1 271 . 9 1 1 A 26 26 LEU HA H 26 3.800 4.186 -0.386 1
1 281 . 9 1 1 A 26 26 LEU CA C 26 58.300 57.900 0.400 1
1 282 . 9 1 1 A 26 26 LEU CB C 26 41.800 41.392 0.408 1
1 286 . 9 1 1 A 26 26 LEU N N 26 116.500 120.097 -3.597 1
1 287 . 9 1 1 A 27 27 ALA H H 27 7.190 7.919 -0.729 1
1 288 . 9 1 1 A 27 27 ALA HA H 27 4.120 4.091 0.029 1
1 292 . 9 1 1 A 27 27 ALA CA C 27 54.700 55.212 -0.512 1
1 293 . 9 1 1 A 27 27 ALA CB C 27 18.000 18.124 -0.124 1
1 294 . 9 1 1 A 27 27 ALA N N 27 118.200 120.749 -2.549 1
1 295 . 9 1 1 A 28 28 LEU H H 28 7.500 7.729 -0.229 1
1 296 . 9 1 1 A 28 28 LEU HA H 28 4.070 3.891 0.179 1
1 306 . 9 1 1 A 28 28 LEU CA C 28 57.600 57.709 -0.109 1
1 307 . 9 1 1 A 28 28 LEU CB C 28 43.100 41.918 1.182 1
1 311 . 9 1 1 A 28 28 LEU N N 28 118.300 118.112 0.188 1
1 312 . 9 1 1 A 29 29 PHE H H 29 8.690 7.939 0.751 1
1 313 . 9 1 1 A 29 29 PHE HA H 29 4.630 4.217 0.413 1
1 321 . 9 1 1 A 29 29 PHE CA C 29 58.700 60.583 -1.883 1
1 322 . 9 1 1 A 29 29 PHE CB C 29 40.300 38.250 2.050 1
1 326 . 9 1 1 A 29 29 PHE N N 29 119.000 117.957 1.043 1
1 327 . 9 1 1 A 30 30 GLU H H 30 8.990 8.650 0.340 1
1 328 . 9 1 1 A 30 30 GLU HA H 30 3.790 3.903 -0.113 1
1 333 . 9 1 1 A 30 30 GLU CA C 30 60.100 60.036 0.064 1
1 334 . 9 1 1 A 30 30 GLU CB C 30 29.100 29.330 -0.230 1
1 336 . 9 1 1 A 30 30 GLU N N 30 117.400 118.407 -1.007 1
1 337 . 9 1 1 A 31 31 GLU H H 31 7.830 8.240 -0.410 1
1 338 . 9 1 1 A 31 31 GLU HA H 31 4.160 4.163 -0.003 1
1 343 . 9 1 1 A 31 31 GLU CA C 31 58.800 59.110 -0.310 1
1 344 . 9 1 1 A 31 31 GLU CB C 31 29.900 29.463 0.437 1
1 346 . 9 1 1 A 31 31 GLU N N 31 119.500 120.209 -0.709 1
1 347 . 9 1 1 A 32 32 LEU H H 32 7.920 8.307 -0.387 1
1 348 . 9 1 1 A 32 32 LEU HA H 32 4.130 4.285 -0.155 1
1 358 . 9 1 1 A 32 32 LEU CA C 32 58.200 58.143 0.057 1
1 359 . 9 1 1 A 32 32 LEU CB C 32 43.000 41.714 1.286 1
1 363 . 9 1 1 A 32 32 LEU N N 32 122.000 120.647 1.353 1
1 364 . 9 1 1 A 33 33 VAL H H 33 7.460 7.928 -0.468 1
1 365 . 9 1 1 A 33 33 VAL HA H 33 3.590 3.372 0.218 1
1 373 . 9 1 1 A 33 33 VAL CA C 33 65.800 66.884 -1.084 1
1 374 . 9 1 1 A 33 33 VAL CB C 33 31.500 31.340 0.160 1
1 377 . 9 1 1 A 33 33 VAL N N 33 116.000 119.496 -3.496 1
1 378 . 9 1 1 A 34 34 GLU H H 34 7.210 8.549 -1.339 1
1 379 . 9 1 1 A 34 34 GLU HA H 34 4.130 4.148 -0.018 1
1 384 . 9 1 1 A 34 34 GLU CA C 34 58.500 59.112 -0.612 1
1 385 . 9 1 1 A 34 34 GLU CB C 34 29.900 29.281 0.619 1
1 387 . 9 1 1 A 34 34 GLU N N 34 117.400 119.754 -2.354 1
1 388 . 9 1 1 A 35 35 THR H H 35 9.100 7.742 1.358 1
1 389 . 9 1 1 A 35 35 THR HA H 35 4.180 4.168 0.012 1
1 394 . 9 1 1 A 35 35 THR CA C 35 63.900 65.074 -1.174 1
1 395 . 9 1 1 A 35 35 THR CB C 35 69.300 68.707 0.593 1
1 397 . 9 1 1 A 35 35 THR N N 35 109.900 111.610 -1.710 1
1 398 . 9 1 1 A 36 36 ASP H H 36 8.630 8.073 0.557 1
1 399 . 9 1 1 A 36 36 ASP HA H 36 5.300 5.139 0.161 1
1 402 . 9 1 1 A 36 36 ASP CA C 36 52.700 51.577 1.123 1
1 403 . 9 1 1 A 36 36 ASP CB C 36 42.400 41.574 0.826 1
1 404 . 9 1 1 A 36 36 ASP N N 36 122.800 120.641 2.159 1
1 405 . 9 1 1 A 37 37 PRO HA H 37 4.560 4.739 -0.179 1
1 412 . 9 1 1 A 37 37 PRO CA C 37 64.400 64.209 0.191 1
1 413 . 9 1 1 A 37 37 PRO CB C 37 31.100 31.881 -0.781 1
1 416 . 9 1 1 A 38 38 ASP H H 38 8.630 8.699 -0.069 1
1 417 . 9 1 1 A 38 38 ASP HA H 38 4.570 4.550 0.020 1
1 420 . 9 1 1 A 38 38 ASP CA C 38 53.800 55.799 -1.999 1
1 421 . 9 1 1 A 38 38 ASP CB C 38 39.500 41.384 -1.884 1
1 422 . 9 1 1 A 38 38 ASP N N 38 113.700 118.233 -4.533 1
1 423 . 9 1 1 A 39 39 TYR H H 39 8.110 7.678 0.432 1
1 424 . 9 1 1 A 39 39 TYR HA H 39 4.540 4.799 -0.259 1
1 431 . 9 1 1 A 39 39 TYR CA C 39 58.500 56.577 1.923 1
1 432 . 9 1 1 A 39 39 TYR CB C 39 36.500 37.930 -1.430 1
1 435 . 9 1 1 A 39 39 TYR N N 39 123.700 121.498 2.202 1
1 436 . 9 1 1 A 40 40 VAL H H 40 7.880 8.441 -0.561 1
1 437 . 9 1 1 A 40 40 VAL HA H 40 3.770 3.850 -0.080 1
1 445 . 9 1 1 A 40 40 VAL CA C 40 65.000 66.384 -1.384 1
1 446 . 9 1 1 A 40 40 VAL CB C 40 32.500 31.503 0.997 1
1 449 . 9 1 1 A 40 40 VAL N N 40 128.100 126.129 1.971 1
1 450 . 9 1 1 A 41 41 GLY H H 41 7.530 7.737 -0.207 1
1 451 . 9 1 1 A 41 41 GLY HA2 H 41 3.410 3.093 0.317 1
1 452 . 9 1 1 A 41 41 GLY HA3 H 41 3.880 3.739 0.141 1
1 453 . 9 1 1 A 41 41 GLY CA C 41 46.400 46.794 -0.394 1
1 454 . 9 1 1 A 41 41 GLY N N 41 105.900 107.975 -2.075 1
1 455 . 9 1 1 A 42 42 THR H H 42 7.150 6.789 0.361 1
1 456 . 9 1 1 A 42 42 THR HA H 42 3.580 4.191 -0.611 1
1 462 . 9 1 1 A 42 42 THR CA C 42 65.600 67.054 -1.454 1
1 463 . 9 1 1 A 42 42 THR CB C 42 68.900 68.464 0.436 1
1 465 . 9 1 1 A 42 42 THR N N 42 111.900 117.916 -6.016 1
1 466 . 9 1 1 A 43 43 TYR H H 43 7.040 7.957 -0.917 1
1 467 . 9 1 1 A 43 43 TYR HA H 43 3.460 4.240 -0.780 1
1 474 . 9 1 1 A 43 43 TYR CA C 43 64.100 60.478 3.622 1
1 475 . 9 1 1 A 43 43 TYR CB C 43 38.300 38.531 -0.231 1
1 478 . 9 1 1 A 43 43 TYR N N 43 113.500 120.901 -7.401 1
1 479 . 9 1 1 A 44 44 TYR H H 44 9.770 8.035 1.735 1
1 480 . 9 1 1 A 44 44 TYR HA H 44 3.990 4.557 -0.567 1
1 487 . 9 1 1 A 44 44 TYR CA C 44 61.900 62.091 -0.191 1
1 488 . 9 1 1 A 44 44 TYR CB C 44 38.800 38.935 -0.135 1
1 491 . 9 1 1 A 44 44 TYR N N 44 119.800 120.675 -0.875 1
1 492 . 9 1 1 A 45 45 HIS H H 45 6.380 8.307 -1.927 1
1 493 . 9 1 1 A 45 45 HIS HA H 45 3.770 4.298 -0.528 1
1 498 . 9 1 1 A 45 45 HIS CA C 45 58.500 59.691 -1.191 1
1 499 . 9 1 1 A 45 45 HIS CB C 45 31.600 30.110 1.490 1
1 502 . 9 1 1 A 45 45 HIS N N 45 114.500 117.098 -2.598 1
1 503 . 9 1 1 A 46 46 LEU H H 46 8.360 8.298 0.062 1
1 504 . 9 1 1 A 46 46 LEU HA H 46 3.660 3.223 0.437 1
1 514 . 9 1 1 A 46 46 LEU CA C 46 57.100 57.517 -0.417 1
1 515 . 9 1 1 A 46 46 LEU CB C 46 40.800 41.657 -0.857 1
1 519 . 9 1 1 A 46 46 LEU N N 46 121.100 120.727 0.373 1
1 520 . 9 1 1 A 47 47 GLY H H 47 8.440 8.211 0.229 1
1 521 . 9 1 1 A 47 47 GLY HA2 H 47 3.350 3.169 0.181 1
1 522 . 9 1 1 A 47 47 GLY HA3 H 47 3.530 3.667 -0.137 1
1 523 . 9 1 1 A 47 47 GLY CA C 47 47.200 46.888 0.312 1
1 524 . 9 1 1 A 47 47 GLY N N 47 106.500 106.286 0.214 1
1 525 . 9 1 1 A 48 48 LYS H H 48 7.970 7.603 0.367 1
1 526 . 9 1 1 A 48 48 LYS HA H 48 3.800 3.955 -0.155 1
1 535 . 9 1 1 A 48 48 LYS CA C 48 58.200 59.365 -1.165 1
1 536 . 9 1 1 A 48 48 LYS CB C 48 31.600 32.070 -0.470 1
1 540 . 9 1 1 A 48 48 LYS N N 48 120.500 121.849 -1.349 1
1 541 . 9 1 1 A 49 49 LEU H H 49 7.800 7.307 0.493 1
1 542 . 9 1 1 A 49 49 LEU HA H 49 4.170 3.936 0.234 1
1 552 . 9 1 1 A 49 49 LEU CA C 49 57.500 57.540 -0.040 1
1 553 . 9 1 1 A 49 49 LEU CB C 49 41.000 41.423 -0.423 1
1 557 . 9 1 1 A 49 49 LEU N N 49 124.000 121.058 2.942 1
1 558 . 9 1 1 A 50 50 TYR H H 50 8.610 8.225 0.385 1
1 559 . 9 1 1 A 50 50 TYR HA H 50 4.420 4.336 0.084 1
1 566 . 9 1 1 A 50 50 TYR CA C 50 59.600 60.910 -1.310 1
1 567 . 9 1 1 A 50 50 TYR CB C 50 35.600 37.933 -2.333 1
1 570 . 9 1 1 A 50 50 TYR N N 50 119.000 118.801 0.199 1
1 571 . 9 1 1 A 51 51 GLU H H 51 8.410 8.500 -0.090 1
1 572 . 9 1 1 A 51 51 GLU HA H 51 3.760 3.926 -0.166 1
1 577 . 9 1 1 A 51 51 GLU CA C 51 61.600 60.093 1.507 1
1 578 . 9 1 1 A 51 51 GLU CB C 51 29.800 29.215 0.585 1
1 580 . 9 1 1 A 51 51 GLU N N 51 118.600 118.885 -0.285 1
1 581 . 9 1 1 A 52 52 ARG H H 52 7.910 7.742 0.168 1
1 582 . 9 1 1 A 52 52 ARG HA H 52 4.150 4.098 0.052 1
1 589 . 9 1 1 A 52 52 ARG CA C 52 58.600 58.757 -0.157 1
1 590 . 9 1 1 A 52 52 ARG CB C 52 29.600 30.504 -0.904 1
1 593 . 9 1 1 A 52 52 ARG N N 52 122.200 120.781 1.419 1
1 594 . 9 1 1 A 53 53 LEU H H 53 7.740 7.685 0.055 1
1 595 . 9 1 1 A 53 53 LEU HA H 53 4.400 4.381 0.019 1
1 605 . 9 1 1 A 53 53 LEU CA C 53 54.100 54.754 -0.654 1
1 606 . 9 1 1 A 53 53 LEU CB C 53 41.400 41.857 -0.457 1
1 610 . 9 1 1 A 53 53 LEU N N 53 119.400 118.099 1.301 1
1 611 . 9 1 1 A 54 54 ASP H H 54 8.090 8.058 0.032 1
1 612 . 9 1 1 A 54 54 ASP HA H 54 4.410 4.346 0.064 1
1 615 . 9 1 1 A 54 54 ASP CA C 54 55.500 55.615 -0.115 1
1 616 . 9 1 1 A 54 54 ASP CB C 54 38.900 40.657 -1.757 1
1 617 . 9 1 1 A 54 54 ASP N N 54 116.300 118.232 -1.932 1
1 618 . 9 1 1 A 55 55 ARG H H 55 8.420 8.318 0.102 1
1 619 . 9 1 1 A 55 55 ARG HA H 55 4.680 4.618 0.062 1
1 627 . 9 1 1 A 55 55 ARG CA C 55 54.000 54.535 -0.535 1
1 628 . 9 1 1 A 55 55 ARG CB C 55 29.800 28.105 1.695 1
1 631 . 9 1 1 A 55 55 ARG N N 55 120.800 120.003 0.797 1
1 633 . 9 1 1 A 56 56 THR H H 56 7.870 8.178 -0.308 1
1 634 . 9 1 1 A 56 56 THR HA H 56 3.510 3.789 -0.279 1
1 639 . 9 1 1 A 56 56 THR CA C 56 67.500 67.256 0.244 1
1 640 . 9 1 1 A 56 56 THR CB C 56 68.000 68.512 -0.512 1
1 642 . 9 1 1 A 56 56 THR N N 56 117.300 116.538 0.762 1
1 643 . 9 1 1 A 57 57 ASP H H 57 8.450 8.473 -0.023 1
1 644 . 9 1 1 A 57 57 ASP HA H 57 4.260 4.293 -0.033 1
1 647 . 9 1 1 A 57 57 ASP CA C 57 57.900 57.926 -0.026 1
1 648 . 9 1 1 A 57 57 ASP CB C 57 39.100 41.580 -2.480 1
1 649 . 9 1 1 A 57 57 ASP N N 57 120.300 121.521 -1.221 1
1 650 . 9 1 1 A 58 58 ASP H H 58 7.540 8.199 -0.659 1
1 651 . 9 1 1 A 58 58 ASP HA H 58 4.170 4.153 0.017 1
1 654 . 9 1 1 A 58 58 ASP CA C 58 56.900 56.924 -0.024 1
1 655 . 9 1 1 A 58 58 ASP CB C 58 38.400 39.806 -1.406 1
1 656 . 9 1 1 A 58 58 ASP N N 58 120.200 119.328 0.872 1
1 657 . 9 1 1 A 59 59 ALA H H 59 8.110 7.581 0.529 1
1 658 . 9 1 1 A 59 59 ALA HA H 59 3.760 3.926 -0.166 1
1 662 . 9 1 1 A 59 59 ALA CA C 59 56.000 55.061 0.939 1
1 663 . 9 1 1 A 59 59 ALA CB C 59 19.200 18.160 1.040 1
1 664 . 9 1 1 A 59 59 ALA N N 59 124.700 121.818 2.882 1
1 665 . 9 1 1 A 60 60 ILE H H 60 8.230 8.110 0.120 1
1 666 . 9 1 1 A 60 60 ILE HA H 60 3.520 3.778 -0.258 1
1 676 . 9 1 1 A 60 60 ILE CA C 60 66.800 65.534 1.266 1
1 677 . 9 1 1 A 60 60 ILE CB C 60 38.400 37.865 0.535 1
1 681 . 9 1 1 A 60 60 ILE N N 60 117.600 119.025 -1.425 1
1 682 . 9 1 1 A 61 61 ASP H H 61 7.750 8.002 -0.252 1
1 683 . 9 1 1 A 61 61 ASP HA H 61 4.440 4.382 0.058 1
1 686 . 9 1 1 A 61 61 ASP CA C 61 57.100 57.595 -0.495 1
1 687 . 9 1 1 A 61 61 ASP CB C 61 40.500 40.564 -0.064 1
1 688 . 9 1 1 A 61 61 ASP N N 61 118.300 119.397 -1.097 1
1 689 . 9 1 1 A 62 62 THR H H 62 8.040 7.879 0.161 1
1 690 . 9 1 1 A 62 62 THR HA H 62 4.070 4.040 0.030 1
1 695 . 9 1 1 A 62 62 THR CA C 62 68.000 66.435 1.565 1
1 696 . 9 1 1 A 62 62 THR CB C 62 68.600 68.628 -0.028 1
1 698 . 9 1 1 A 62 62 THR N N 62 119.800 116.403 3.397 1
1 699 . 9 1 1 A 63 63 TYR H H 63 8.970 8.097 0.873 1
1 700 . 9 1 1 A 63 63 TYR HA H 63 4.480 4.379 0.101 1
1 707 . 9 1 1 A 63 63 TYR CA C 63 59.200 61.215 -2.015 1
1 708 . 9 1 1 A 63 63 TYR CB C 63 37.700 37.346 0.354 1
1 711 . 9 1 1 A 63 63 TYR N N 63 121.700 120.663 1.037 1
1 712 . 9 1 1 A 64 64 ALA H H 64 8.690 8.460 0.230 1
1 713 . 9 1 1 A 64 64 ALA HA H 64 4.000 4.069 -0.069 1
1 717 . 9 1 1 A 64 64 ALA CA C 64 55.500 55.347 0.153 1
1 718 . 9 1 1 A 64 64 ALA CB C 64 17.800 18.250 -0.450 1
1 719 . 9 1 1 A 64 64 ALA N N 64 119.400 122.640 -3.240 1
1 720 . 9 1 1 A 65 65 GLN H H 65 8.100 7.950 0.150 1
1 721 . 9 1 1 A 65 65 GLN HA H 65 4.010 3.885 0.125 1
1 728 . 9 1 1 A 65 65 GLN CA C 65 58.600 59.141 -0.541 1
1 729 . 9 1 1 A 65 65 GLN CB C 65 28.500 28.066 0.434 1
1 731 . 9 1 1 A 65 65 GLN N N 65 119.600 118.146 1.454 1
1 733 . 9 1 1 A 66 66 GLY H H 66 8.430 7.758 0.672 1
1 734 . 9 1 1 A 66 66 GLY HA2 H 66 3.080 2.931 0.149 1
1 735 . 9 1 1 A 66 66 GLY HA3 H 66 2.520 3.295 -0.775 1
1 736 . 9 1 1 A 66 66 GLY CA C 66 46.800 46.862 -0.062 1
1 737 . 9 1 1 A 66 66 GLY N N 66 108.200 106.400 1.800 1
1 738 . 9 1 1 A 67 67 ILE H H 67 8.570 8.418 0.152 1
1 739 . 9 1 1 A 67 67 ILE HA H 67 3.320 3.824 -0.504 1
1 749 . 9 1 1 A 67 67 ILE CA C 67 65.900 64.148 1.752 1
1 750 . 9 1 1 A 67 67 ILE CB C 67 38.400 37.490 0.910 1
1 754 . 9 1 1 A 67 67 ILE N N 67 123.500 122.397 1.103 1
1 755 . 9 1 1 A 68 68 GLU H H 68 7.030 7.658 -0.628 1
1 756 . 9 1 1 A 68 68 GLU HA H 68 3.960 4.056 -0.096 1
1 761 . 9 1 1 A 68 68 GLU CA C 68 58.700 59.325 -0.625 1
1 762 . 9 1 1 A 68 68 GLU CB C 68 28.500 29.282 -0.782 1
1 764 . 9 1 1 A 68 68 GLU N N 68 116.500 119.804 -3.304 1
1 765 . 9 1 1 A 69 69 VAL H H 69 7.440 7.477 -0.037 1
1 766 . 9 1 1 A 69 69 VAL HA H 69 3.740 3.914 -0.174 1
1 774 . 9 1 1 A 69 69 VAL CA C 69 65.700 64.368 1.332 1
1 775 . 9 1 1 A 69 69 VAL CB C 69 32.000 31.413 0.587 1
1 778 . 9 1 1 A 69 69 VAL N N 69 119.500 116.038 3.462 1
1 779 . 9 1 1 A 70 70 ALA H H 70 9.290 8.304 0.986 1
1 780 . 9 1 1 A 70 70 ALA HA H 70 3.820 4.015 -0.195 1
1 784 . 9 1 1 A 70 70 ALA CA C 70 54.400 55.566 -1.166 1
1 785 . 9 1 1 A 70 70 ALA CB C 70 18.000 18.164 -0.164 1
1 786 . 9 1 1 A 70 70 ALA N N 70 122.500 124.130 -1.630 1
1 787 . 9 1 1 A 71 71 ARG H H 71 8.280 7.895 0.385 1
1 788 . 9 1 1 A 71 71 ARG HA H 71 3.870 4.049 -0.179 1
1 796 . 9 1 1 A 71 71 ARG CA C 71 59.500 58.980 0.520 1
1 797 . 9 1 1 A 71 71 ARG CB C 71 30.000 29.924 0.076 1
1 800 . 9 1 1 A 71 71 ARG N N 71 116.900 117.100 -0.200 1
1 802 . 9 1 1 A 72 72 GLU H H 72 7.390 7.806 -0.416 1
1 803 . 9 1 1 A 72 72 GLU HA H 72 4.300 4.224 0.076 1
1 808 . 9 1 1 A 72 72 GLU CA C 72 57.700 58.694 -0.994 1
1 809 . 9 1 1 A 72 72 GLU CB C 72 30.500 30.474 0.026 1
1 811 . 9 1 1 A 72 72 GLU N N 72 116.800 118.772 -1.972 1
1 812 . 9 1 1 A 73 73 GLU H H 73 8.490 8.229 0.261 1
1 813 . 9 1 1 A 73 73 GLU HA H 73 4.550 4.259 0.291 1
1 818 . 9 1 1 A 73 73 GLU CA C 73 55.900 58.912 -3.012 1
1 819 . 9 1 1 A 73 73 GLU CB C 73 30.800 30.003 0.797 1
1 821 . 9 1 1 A 73 73 GLU N N 73 115.000 118.690 -3.690 1
1 822 . 9 1 1 A 74 74 GLY H H 74 8.070 8.025 0.045 1
1 823 . 9 1 1 A 74 74 GLY HA2 H 74 4.450 3.746 0.704 1
1 824 . 9 1 1 A 74 74 GLY HA3 H 74 3.830 3.751 0.079 1
1 825 . 9 1 1 A 74 74 GLY CA C 74 44.600 46.810 -2.210 1
1 826 . 9 1 1 A 74 74 GLY N N 74 108.100 109.335 -1.235 1
1 827 . 9 1 1 A 75 75 THR H H 75 8.760 7.519 1.241 1
1 828 . 9 1 1 A 75 75 THR HA H 75 4.670 4.561 0.109 1
1 833 . 9 1 1 A 75 75 THR CA C 75 59.000 60.731 -1.731 1
1 834 . 9 1 1 A 75 75 THR CB C 75 70.900 69.651 1.249 1
1 836 . 9 1 1 A 75 75 THR N N 75 111.400 112.468 -1.068 1
1 837 . 9 1 1 A 76 76 GLN H H 76 8.710 8.828 -0.118 1
1 838 . 9 1 1 A 76 76 GLN HA H 76 3.940 3.951 -0.011 1
1 845 . 9 1 1 A 76 76 GLN CA C 76 58.700 59.191 -0.491 1
1 846 . 9 1 1 A 76 76 GLN CB C 76 27.900 28.243 -0.343 1
1 848 . 9 1 1 A 76 76 GLN N N 76 123.100 124.862 -1.762 1
1 850 . 9 1 1 A 77 77 LYS H H 77 8.240 7.973 0.267 1
1 851 . 9 1 1 A 77 77 LYS HA H 77 4.000 4.086 -0.086 1
1 860 . 9 1 1 A 77 77 LYS CA C 77 59.200 59.582 -0.382 1
1 861 . 9 1 1 A 77 77 LYS CB C 77 31.900 31.966 -0.066 1
1 865 . 9 1 1 A 77 77 LYS N N 77 121.000 119.283 1.717 1
1 866 . 9 1 1 A 78 78 ASP H H 78 7.390 8.173 -0.783 1
1 867 . 9 1 1 A 78 78 ASP HA H 78 4.170 4.480 -0.310 1
1 870 . 9 1 1 A 78 78 ASP CA C 78 57.000 57.300 -0.300 1
1 871 . 9 1 1 A 78 78 ASP CB C 78 41.400 40.612 0.788 1
1 872 . 9 1 1 A 78 78 ASP N N 78 117.800 119.833 -2.033 1
1 873 . 9 1 1 A 79 79 LEU H H 79 7.690 7.867 -0.177 1
1 874 . 9 1 1 A 79 79 LEU HA H 79 3.770 4.095 -0.325 1
1 884 . 9 1 1 A 79 79 LEU CA C 79 58.100 58.178 -0.078 1
1 885 . 9 1 1 A 79 79 LEU CB C 79 42.100 41.370 0.730 1
1 889 . 9 1 1 A 79 79 LEU N N 79 118.400 122.726 -4.326 1
1 890 . 9 1 1 A 80 80 SER H H 80 8.400 8.151 0.249 1
1 891 . 9 1 1 A 80 80 SER HA H 80 4.170 4.131 0.039 1
1 894 . 9 1 1 A 80 80 SER CA C 80 61.500 61.946 -0.446 1
1 895 . 9 1 1 A 80 80 SER CB C 80 62.500 62.810 -0.310 1
1 896 . 9 1 1 A 80 80 SER N N 80 114.000 116.648 -2.648 1
1 897 . 9 1 1 A 81 81 GLU H H 81 7.930 7.777 0.153 1
1 898 . 9 1 1 A 81 81 GLU HA H 81 4.030 4.090 -0.060 1
1 903 . 9 1 1 A 81 81 GLU CA C 81 59.000 59.383 -0.383 1
1 904 . 9 1 1 A 81 81 GLU CB C 81 29.000 29.475 -0.475 1
1 906 . 9 1 1 A 81 81 GLU N N 81 121.000 122.433 -1.433 1
1 907 . 9 1 1 A 82 82 LEU H H 82 7.870 8.436 -0.566 1
1 908 . 9 1 1 A 82 82 LEU HA H 82 3.890 3.975 -0.085 1
1 918 . 9 1 1 A 82 82 LEU CA C 82 57.900 57.943 -0.043 1
1 919 . 9 1 1 A 82 82 LEU CB C 82 43.900 41.282 2.618 1
1 923 . 9 1 1 A 82 82 LEU N N 82 120.900 119.986 0.914 1
1 924 . 9 1 1 A 83 83 GLN H H 83 8.520 8.308 0.212 1
1 925 . 9 1 1 A 83 83 GLN HA H 83 3.900 3.998 -0.098 1
1 932 . 9 1 1 A 83 83 GLN CA C 83 59.200 59.181 0.019 1
1 933 . 9 1 1 A 83 83 GLN CB C 83 28.300 28.175 0.125 1
1 935 . 9 1 1 A 83 83 GLN N N 83 118.300 117.694 0.606 1
1 937 . 9 1 1 A 84 84 ASP H H 84 8.140 7.865 0.275 1
1 938 . 9 1 1 A 84 84 ASP HA H 84 4.340 4.323 0.017 1
1 941 . 9 1 1 A 84 84 ASP CA C 84 57.100 57.328 -0.228 1
1 942 . 9 1 1 A 84 84 ASP CB C 84 41.000 40.885 0.115 1
1 943 . 9 1 1 A 84 84 ASP N N 84 119.700 119.485 0.215 1
1 944 . 9 1 1 A 85 85 ALA H H 85 7.740 8.191 -0.451 1
1 945 . 9 1 1 A 85 85 ALA HA H 85 3.810 3.800 0.010 1
1 949 . 9 1 1 A 85 85 ALA CA C 85 54.600 54.769 -0.169 1
1 950 . 9 1 1 A 85 85 ALA CB C 85 16.200 17.797 -1.597 1
1 951 . 9 1 1 A 85 85 ALA N N 85 121.600 121.380 0.220 1
1 952 . 9 1 1 A 86 86 LYS H H 86 8.070 7.523 0.547 1
1 953 . 9 1 1 A 86 86 LYS HA H 86 3.810 4.040 -0.230 1
1 962 . 9 1 1 A 86 86 LYS CA C 86 60.600 59.078 1.522 1
1 963 . 9 1 1 A 86 86 LYS CB C 86 33.300 31.846 1.454 1
1 967 . 9 1 1 A 86 86 LYS N N 86 120.200 116.343 3.857 1
1 968 . 9 1 1 A 87 87 LEU H H 87 7.780 7.934 -0.154 1
1 969 . 9 1 1 A 87 87 LEU HA H 87 4.160 3.970 0.190 1
1 979 . 9 1 1 A 87 87 LEU CA C 87 57.500 58.107 -0.607 1
1 980 . 9 1 1 A 87 87 LEU CB C 87 41.900 41.595 0.305 1
1 984 . 9 1 1 A 87 87 LEU N N 87 118.400 121.214 -2.814 1
1 985 . 9 1 1 A 88 88 LYS H H 88 7.900 8.137 -0.237 1
1 986 . 9 1 1 A 88 88 LYS HA H 88 3.960 3.984 -0.024 1
1 995 . 9 1 1 A 88 88 LYS CA C 88 59.200 59.023 0.177 1
1 996 . 9 1 1 A 88 88 LYS CB C 88 32.000 31.762 0.238 1
1 1000 . 9 1 1 A 88 88 LYS N N 88 118.700 117.422 1.278 1
1 1001 . 9 1 1 A 89 89 ALA H H 89 8.000 7.719 0.281 1
1 1002 . 9 1 1 A 89 89 ALA HA H 89 4.150 4.023 0.127 1
1 1006 . 9 1 1 A 89 89 ALA CA C 89 54.500 55.221 -0.721 1
1 1007 . 9 1 1 A 89 89 ALA CB C 89 17.800 18.374 -0.574 1
1 1008 . 9 1 1 A 89 89 ALA N N 89 122.400 121.657 0.743 1
1 1009 . 9 1 1 A 90 90 GLU H H 90 8.300 8.317 -0.017 1
1 1010 . 9 1 1 A 90 90 GLU HA H 90 3.930 3.665 0.265 1
1 1015 . 9 1 1 A 90 90 GLU CA C 90 58.000 59.081 -1.081 1
1 1016 . 9 1 1 A 90 90 GLU CB C 90 29.700 29.322 0.378 1
1 1018 . 9 1 1 A 90 90 GLU N N 90 116.700 117.085 -0.385 1
1 1019 . 9 1 1 A 91 91 GLY H H 91 7.710 8.065 -0.355 1
1 1020 . 9 1 1 A 91 91 GLY HA2 H 91 4.070 3.582 0.488 1
1 1021 . 9 1 1 A 91 91 GLY HA3 H 91 3.870 3.584 0.286 1
1 1022 . 9 1 1 A 91 91 GLY CA C 91 45.500 47.250 -1.750 1
1 1023 . 9 1 1 A 91 91 GLY N N 91 106.000 109.896 -3.896 1
1 1024 . 9 1 1 A 92 92 LEU H H 92 7.640 7.541 0.099 1
1 1025 . 9 1 1 A 92 92 LEU HA H 92 4.270 3.927 0.343 1
1 1035 . 9 1 1 A 92 92 LEU CA C 92 55.200 57.557 -2.357 1
1 1036 . 9 1 1 A 92 92 LEU CB C 92 42.100 42.033 0.067 1
1 1040 . 9 1 1 A 92 92 LEU N N 92 121.200 122.861 -1.661 1
1 1041 . 9 1 1 A 93 93 GLU H H 93 8.290 7.094 1.196 1
1 1042 . 9 1 1 A 93 93 GLU HA H 93 4.130 4.371 -0.241 1
1 1047 . 9 1 1 A 93 93 GLU CA C 93 56.700 55.318 1.382 1
1 1048 . 9 1 1 A 93 93 GLU CB C 93 29.700 30.544 -0.844 1
1 1050 . 9 1 1 A 93 93 GLU N N 93 120.200 113.042 7.158 1
1 1051 . 9 1 1 A 94 94 HIS H H 94 8.260 8.438 -0.178 1
1 1052 . 9 1 1 A 94 94 HIS HA H 94 4.560 4.613 -0.053 1
1 1055 . 9 1 1 A 94 94 HIS CA C 94 55.400 55.916 -0.516 1
1 1056 . 9 1 1 A 94 94 HIS CB C 94 29.700 31.215 -1.515 1
1 1057 . 9 1 1 A 94 94 HIS N N 94 118.900 116.213 2.687 1
1 1058 . 9 1 1 A 95 95 HIS H H 95 8.170 7.722 0.448 1
1 1059 . 9 1 1 A 95 95 HIS HA H 95 4.410 4.104 0.306 1
1 1062 . 9 1 1 A 95 95 HIS CA C 95 57.000 56.082 0.918 1
1 1063 . 9 1 1 A 95 95 HIS CB C 95 30.000 27.677 2.323 1
1 9 . 10 1 1 A 2 2 ASP H H 2 8.560 8.796 -0.236 1
1 10 . 10 1 1 A 2 2 ASP HA H 2 4.850 5.033 -0.183 1
1 13 . 10 1 1 A 2 2 ASP CA C 2 52.200 51.836 0.364 1
1 14 . 10 1 1 A 2 2 ASP CB C 2 40.900 40.811 0.089 1
1 15 . 10 1 1 A 2 2 ASP N N 2 123.000 121.232 1.768 1
1 16 . 10 1 1 A 3 3 PRO HA H 3 4.380 4.369 0.011 1
1 23 . 10 1 1 A 3 3 PRO CA C 3 63.500 64.233 -0.733 1
1 24 . 10 1 1 A 3 3 PRO CB C 3 32.100 31.766 0.334 1
1 27 . 10 1 1 A 4 4 GLU H H 4 8.410 8.422 -0.012 1
1 28 . 10 1 1 A 4 4 GLU HA H 4 4.250 4.097 0.153 1
1 33 . 10 1 1 A 4 4 GLU CA C 4 55.900 58.174 -2.274 1
1 34 . 10 1 1 A 4 4 GLU CB C 4 30.100 29.962 0.138 1
1 36 . 10 1 1 A 4 4 GLU N N 4 118.300 117.317 0.983 1
1 37 . 10 1 1 A 5 5 ASP H H 5 8.030 7.578 0.452 1
1 38 . 10 1 1 A 5 5 ASP HA H 5 4.730 4.670 0.060 1
1 41 . 10 1 1 A 5 5 ASP CA C 5 52.600 52.063 0.537 1
1 42 . 10 1 1 A 5 5 ASP CB C 5 41.700 42.106 -0.406 1
1 43 . 10 1 1 A 5 5 ASP N N 5 123.700 120.511 3.189 1
1 44 . 10 1 1 A 6 6 PRO HA H 6 3.940 4.176 -0.236 1
1 51 . 10 1 1 A 6 6 PRO CA C 6 64.900 65.840 -0.940 1
1 52 . 10 1 1 A 6 6 PRO CB C 6 31.000 31.368 -0.368 1
1 55 . 10 1 1 A 7 7 PHE H H 7 8.130 7.880 0.250 1
1 56 . 10 1 1 A 7 7 PHE HA H 7 4.220 4.352 -0.132 1
1 64 . 10 1 1 A 7 7 PHE CA C 7 60.800 61.661 -0.861 1
1 65 . 10 1 1 A 7 7 PHE CB C 7 38.300 39.195 -0.895 1
1 69 . 10 1 1 A 7 7 PHE N N 7 117.200 118.670 -1.470 1
1 70 . 10 1 1 A 8 8 THR H H 8 7.830 8.267 -0.437 1
1 71 . 10 1 1 A 8 8 THR HA H 8 3.710 3.953 -0.243 1
1 76 . 10 1 1 A 8 8 THR CA C 8 66.200 66.974 -0.774 1
1 77 . 10 1 1 A 8 8 THR CB C 8 68.300 68.696 -0.396 1
1 79 . 10 1 1 A 8 8 THR N N 8 115.700 115.379 0.321 1
1 80 . 10 1 1 A 9 9 ARG H H 9 7.300 8.630 -1.330 1
1 81 . 10 1 1 A 9 9 ARG HA H 9 3.840 3.970 -0.130 1
1 89 . 10 1 1 A 9 9 ARG CA C 9 59.700 58.715 0.985 1
1 90 . 10 1 1 A 9 9 ARG CB C 9 30.400 30.150 0.250 1
1 93 . 10 1 1 A 9 9 ARG N N 9 121.400 120.217 1.183 1
1 95 . 10 1 1 A 10 10 TYR H H 10 8.480 8.236 0.244 1
1 96 . 10 1 1 A 10 10 TYR HA H 10 3.800 4.043 -0.243 1
1 103 . 10 1 1 A 10 10 TYR CA C 10 61.400 61.598 -0.198 1
1 104 . 10 1 1 A 10 10 TYR CB C 10 38.300 38.646 -0.346 1
1 107 . 10 1 1 A 10 10 TYR N N 10 121.700 121.535 0.165 1
1 108 . 10 1 1 A 11 11 ALA H H 11 8.500 8.169 0.331 1
1 109 . 10 1 1 A 11 11 ALA HA H 11 3.700 3.508 0.192 1
1 113 . 10 1 1 A 11 11 ALA CA C 11 54.400 54.825 -0.425 1
1 114 . 10 1 1 A 11 11 ALA CB C 11 17.300 17.883 -0.583 1
1 115 . 10 1 1 A 11 11 ALA N N 11 121.700 121.526 0.174 1
1 116 . 10 1 1 A 12 12 LEU H H 12 7.690 8.264 -0.574 1
1 117 . 10 1 1 A 12 12 LEU HA H 12 3.920 3.791 0.129 1
1 127 . 10 1 1 A 12 12 LEU CA C 12 57.100 57.743 -0.643 1
1 128 . 10 1 1 A 12 12 LEU CB C 12 41.500 41.218 0.282 1
1 132 . 10 1 1 A 12 12 LEU N N 12 120.900 118.457 2.443 1
1 133 . 10 1 1 A 13 13 ALA H H 13 8.010 7.875 0.135 1
1 134 . 10 1 1 A 13 13 ALA HA H 13 3.500 3.999 -0.499 1
1 138 . 10 1 1 A 13 13 ALA CA C 13 55.400 55.339 0.061 1
1 139 . 10 1 1 A 13 13 ALA CB C 13 17.400 17.907 -0.507 1
1 140 . 10 1 1 A 13 13 ALA N N 13 123.000 121.368 1.632 1
1 141 . 10 1 1 A 14 14 GLN H H 14 7.660 7.546 0.114 1
1 142 . 10 1 1 A 14 14 GLN HA H 14 3.910 4.073 -0.163 1
1 149 . 10 1 1 A 14 14 GLN CA C 14 58.200 58.734 -0.534 1
1 150 . 10 1 1 A 14 14 GLN CB C 14 27.700 28.067 -0.367 1
1 152 . 10 1 1 A 14 14 GLN N N 14 114.000 117.092 -3.092 1
1 154 . 10 1 1 A 15 15 GLU H H 15 7.900 8.008 -0.108 1
1 155 . 10 1 1 A 15 15 GLU HA H 15 3.900 4.006 -0.106 1
1 160 . 10 1 1 A 15 15 GLU CA C 15 58.800 59.124 -0.324 1
1 161 . 10 1 1 A 15 15 GLU CB C 15 28.600 29.240 -0.640 1
1 163 . 10 1 1 A 15 15 GLU N N 15 122.400 121.199 1.201 1
1 164 . 10 1 1 A 16 16 HIS H H 16 8.220 7.653 0.567 1
1 165 . 10 1 1 A 16 16 HIS HA H 16 4.520 4.448 0.072 1
1 170 . 10 1 1 A 16 16 HIS CA C 16 59.700 59.485 0.215 1
1 171 . 10 1 1 A 16 16 HIS CB C 16 29.600 29.849 -0.249 1
1 174 . 10 1 1 A 16 16 HIS N N 16 119.100 119.109 -0.009 1
1 175 . 10 1 1 A 17 17 LEU H H 17 8.090 8.475 -0.385 1
1 176 . 10 1 1 A 17 17 LEU HA H 17 3.870 3.861 0.009 1
1 186 . 10 1 1 A 17 17 LEU CA C 17 57.900 58.127 -0.227 1
1 187 . 10 1 1 A 17 17 LEU CB C 17 41.400 41.365 0.035 1
1 191 . 10 1 1 A 17 17 LEU N N 17 120.500 119.875 0.625 1
1 192 . 10 1 1 A 18 18 LYS H H 18 7.960 7.982 -0.022 1
1 193 . 10 1 1 A 18 18 LYS HA H 18 4.030 3.964 0.066 1
1 202 . 10 1 1 A 18 18 LYS CA C 18 58.400 58.753 -0.353 1
1 203 . 10 1 1 A 18 18 LYS CB C 18 31.800 32.181 -0.381 1
1 207 . 10 1 1 A 18 18 LYS N N 18 121.000 117.304 3.696 1
1 208 . 10 1 1 A 19 19 HIS H H 19 7.410 7.344 0.066 1
1 209 . 10 1 1 A 19 19 HIS HA H 19 4.720 4.622 0.098 1
1 213 . 10 1 1 A 19 19 HIS CA C 19 54.700 55.631 -0.931 1
1 214 . 10 1 1 A 19 19 HIS CB C 19 28.500 29.923 -1.423 1
1 216 . 10 1 1 A 19 19 HIS N N 19 115.800 115.081 0.719 1
1 217 . 10 1 1 A 20 20 ASP H H 20 8.010 8.215 -0.205 1
1 218 . 10 1 1 A 20 20 ASP HA H 20 4.370 4.209 0.161 1
1 221 . 10 1 1 A 20 20 ASP CA C 20 55.600 55.591 0.009 1
1 222 . 10 1 1 A 20 20 ASP CB C 20 39.600 40.677 -1.077 1
1 223 . 10 1 1 A 20 20 ASP N N 20 115.900 118.244 -2.344 1
1 224 . 10 1 1 A 21 21 ASN H H 21 8.450 8.338 0.112 1
1 225 . 10 1 1 A 21 21 ASN HA H 21 5.130 4.999 0.131 1
1 230 . 10 1 1 A 21 21 ASN CA C 21 50.600 52.048 -1.448 1
1 231 . 10 1 1 A 21 21 ASN CB C 21 37.000 36.387 0.613 1
1 232 . 10 1 1 A 21 21 ASN N N 21 118.700 118.723 -0.023 1
1 234 . 10 1 1 A 22 22 ALA H H 22 8.010 8.412 -0.402 1
1 235 . 10 1 1 A 22 22 ALA HA H 22 3.840 4.013 -0.173 1
1 239 . 10 1 1 A 22 22 ALA CA C 22 55.300 55.229 0.071 1
1 240 . 10 1 1 A 22 22 ALA CB C 22 18.300 18.440 -0.140 1
1 241 . 10 1 1 A 22 22 ALA N N 22 123.300 125.523 -2.223 1
1 242 . 10 1 1 A 23 23 SER H H 23 8.670 8.250 0.420 1
1 243 . 10 1 1 A 23 23 SER HA H 23 4.070 4.135 -0.065 1
1 246 . 10 1 1 A 23 23 SER CA C 23 61.800 61.696 0.104 1
1 247 . 10 1 1 A 23 23 SER CB C 23 61.900 62.485 -0.585 1
1 248 . 10 1 1 A 23 23 SER N N 23 112.500 112.681 -0.181 1
1 249 . 10 1 1 A 24 24 ARG H H 24 7.230 7.957 -0.727 1
1 250 . 10 1 1 A 24 24 ARG HA H 24 3.960 3.862 0.098 1
1 257 . 10 1 1 A 24 24 ARG CA C 24 57.000 59.814 -2.814 1
1 258 . 10 1 1 A 24 24 ARG CB C 24 29.100 29.775 -0.675 1
1 261 . 10 1 1 A 24 24 ARG N N 24 122.300 120.719 1.581 1
1 262 . 10 1 1 A 25 25 ALA H H 25 7.340 7.780 -0.440 1
1 263 . 10 1 1 A 25 25 ALA HA H 25 3.570 4.051 -0.481 1
1 267 . 10 1 1 A 25 25 ALA CA C 25 55.300 55.020 0.280 1
1 268 . 10 1 1 A 25 25 ALA CB C 25 18.700 18.020 0.680 1
1 269 . 10 1 1 A 25 25 ALA N N 25 120.200 121.439 -1.239 1
1 270 . 10 1 1 A 26 26 LEU H H 26 8.420 8.243 0.177 1
1 271 . 10 1 1 A 26 26 LEU HA H 26 3.800 4.226 -0.426 1
1 281 . 10 1 1 A 26 26 LEU CA C 26 58.300 57.837 0.463 1
1 282 . 10 1 1 A 26 26 LEU CB C 26 41.800 41.419 0.381 1
1 286 . 10 1 1 A 26 26 LEU N N 26 116.500 120.516 -4.016 1
1 287 . 10 1 1 A 27 27 ALA H H 27 7.190 8.077 -0.887 1
1 288 . 10 1 1 A 27 27 ALA HA H 27 4.120 4.008 0.112 1
1 292 . 10 1 1 A 27 27 ALA CA C 27 54.700 55.165 -0.465 1
1 293 . 10 1 1 A 27 27 ALA CB C 27 18.000 17.984 0.016 1
1 294 . 10 1 1 A 27 27 ALA N N 27 118.200 120.601 -2.401 1
1 295 . 10 1 1 A 28 28 LEU H H 28 7.500 7.714 -0.214 1
1 296 . 10 1 1 A 28 28 LEU HA H 28 4.070 3.911 0.159 1
1 306 . 10 1 1 A 28 28 LEU CA C 28 57.600 57.078 0.522 1
1 307 . 10 1 1 A 28 28 LEU CB C 28 43.100 42.759 0.341 1
1 311 . 10 1 1 A 28 28 LEU N N 28 118.300 118.584 -0.284 1
1 312 . 10 1 1 A 29 29 PHE H H 29 8.690 8.243 0.447 1
1 313 . 10 1 1 A 29 29 PHE HA H 29 4.630 4.365 0.265 1
1 321 . 10 1 1 A 29 29 PHE CA C 29 58.700 60.757 -2.057 1
1 322 . 10 1 1 A 29 29 PHE CB C 29 40.300 38.532 1.768 1
1 326 . 10 1 1 A 29 29 PHE N N 29 119.000 117.671 1.329 1
1 327 . 10 1 1 A 30 30 GLU H H 30 8.990 8.713 0.277 1
1 328 . 10 1 1 A 30 30 GLU HA H 30 3.790 4.048 -0.258 1
1 333 . 10 1 1 A 30 30 GLU CA C 30 60.100 59.563 0.537 1
1 334 . 10 1 1 A 30 30 GLU CB C 30 29.100 29.213 -0.113 1
1 336 . 10 1 1 A 30 30 GLU N N 30 117.400 118.397 -0.997 1
1 337 . 10 1 1 A 31 31 GLU H H 31 7.830 8.010 -0.180 1
1 338 . 10 1 1 A 31 31 GLU HA H 31 4.160 4.526 -0.366 1
1 343 . 10 1 1 A 31 31 GLU CA C 31 58.800 58.965 -0.165 1
1 344 . 10 1 1 A 31 31 GLU CB C 31 29.900 29.655 0.245 1
1 346 . 10 1 1 A 31 31 GLU N N 31 119.500 119.529 -0.029 1
1 347 . 10 1 1 A 32 32 LEU H H 32 7.920 8.402 -0.482 1
1 348 . 10 1 1 A 32 32 LEU HA H 32 4.130 4.092 0.038 1
1 358 . 10 1 1 A 32 32 LEU CA C 32 58.200 58.087 0.113 1
1 359 . 10 1 1 A 32 32 LEU CB C 32 43.000 41.621 1.379 1
1 363 . 10 1 1 A 32 32 LEU N N 32 122.000 120.196 1.804 1
1 364 . 10 1 1 A 33 33 VAL H H 33 7.460 8.127 -0.667 1
1 365 . 10 1 1 A 33 33 VAL HA H 33 3.590 3.472 0.118 1
1 373 . 10 1 1 A 33 33 VAL CA C 33 65.800 67.057 -1.257 1
1 374 . 10 1 1 A 33 33 VAL CB C 33 31.500 31.272 0.228 1
1 377 . 10 1 1 A 33 33 VAL N N 33 116.000 120.284 -4.284 1
1 378 . 10 1 1 A 34 34 GLU H H 34 7.210 8.247 -1.037 1
1 379 . 10 1 1 A 34 34 GLU HA H 34 4.130 4.143 -0.013 1
1 384 . 10 1 1 A 34 34 GLU CA C 34 58.500 58.934 -0.434 1
1 385 . 10 1 1 A 34 34 GLU CB C 34 29.900 29.116 0.784 1
1 387 . 10 1 1 A 34 34 GLU N N 34 117.400 119.792 -2.392 1
1 388 . 10 1 1 A 35 35 THR H H 35 9.100 7.655 1.445 1
1 389 . 10 1 1 A 35 35 THR HA H 35 4.180 4.333 -0.153 1
1 394 . 10 1 1 A 35 35 THR CA C 35 63.900 63.871 0.029 1
1 395 . 10 1 1 A 35 35 THR CB C 35 69.300 69.101 0.199 1
1 397 . 10 1 1 A 35 35 THR N N 35 109.900 111.383 -1.483 1
1 398 . 10 1 1 A 36 36 ASP H H 36 8.630 8.142 0.488 1
1 399 . 10 1 1 A 36 36 ASP HA H 36 5.300 5.118 0.182 1
1 402 . 10 1 1 A 36 36 ASP CA C 36 52.700 51.484 1.216 1
1 403 . 10 1 1 A 36 36 ASP CB C 36 42.400 41.383 1.017 1
1 404 . 10 1 1 A 36 36 ASP N N 36 122.800 120.582 2.218 1
1 405 . 10 1 1 A 37 37 PRO HA H 37 4.560 4.812 -0.252 1
1 412 . 10 1 1 A 37 37 PRO CA C 37 64.400 64.432 -0.032 1
1 413 . 10 1 1 A 37 37 PRO CB C 37 31.100 31.961 -0.861 1
1 416 . 10 1 1 A 38 38 ASP H H 38 8.630 8.577 0.053 1
1 417 . 10 1 1 A 38 38 ASP HA H 38 4.570 4.697 -0.127 1
1 420 . 10 1 1 A 38 38 ASP CA C 38 53.800 54.581 -0.781 1
1 421 . 10 1 1 A 38 38 ASP CB C 38 39.500 40.062 -0.562 1
1 422 . 10 1 1 A 38 38 ASP N N 38 113.700 116.153 -2.453 1
1 423 . 10 1 1 A 39 39 TYR H H 39 8.110 7.671 0.439 1
1 424 . 10 1 1 A 39 39 TYR HA H 39 4.540 4.725 -0.185 1
1 431 . 10 1 1 A 39 39 TYR CA C 39 58.500 56.248 2.252 1
1 432 . 10 1 1 A 39 39 TYR CB C 39 36.500 37.882 -1.382 1
1 435 . 10 1 1 A 39 39 TYR N N 39 123.700 121.992 1.708 1
1 436 . 10 1 1 A 40 40 VAL H H 40 7.880 7.821 0.059 1
1 437 . 10 1 1 A 40 40 VAL HA H 40 3.770 3.900 -0.130 1
1 445 . 10 1 1 A 40 40 VAL CA C 40 65.000 66.417 -1.417 1
1 446 . 10 1 1 A 40 40 VAL CB C 40 32.500 31.585 0.915 1
1 449 . 10 1 1 A 40 40 VAL N N 40 128.100 125.724 2.376 1
1 450 . 10 1 1 A 41 41 GLY H H 41 7.530 7.904 -0.374 1
1 451 . 10 1 1 A 41 41 GLY HA2 H 41 3.410 3.517 -0.107 1
1 452 . 10 1 1 A 41 41 GLY HA3 H 41 3.880 3.918 -0.038 1
1 453 . 10 1 1 A 41 41 GLY CA C 41 46.400 47.019 -0.619 1
1 454 . 10 1 1 A 41 41 GLY N N 41 105.900 108.221 -2.321 1
1 455 . 10 1 1 A 42 42 THR H H 42 7.150 7.681 -0.531 1
1 456 . 10 1 1 A 42 42 THR HA H 42 3.580 4.365 -0.785 1
1 462 . 10 1 1 A 42 42 THR CA C 42 65.600 66.812 -1.212 1
1 463 . 10 1 1 A 42 42 THR CB C 42 68.900 68.554 0.346 1
1 465 . 10 1 1 A 42 42 THR N N 42 111.900 118.449 -6.549 1
1 466 . 10 1 1 A 43 43 TYR H H 43 7.040 8.517 -1.477 1
1 467 . 10 1 1 A 43 43 TYR HA H 43 3.460 4.284 -0.824 1
1 474 . 10 1 1 A 43 43 TYR CA C 43 64.100 60.482 3.618 1
1 475 . 10 1 1 A 43 43 TYR CB C 43 38.300 38.155 0.145 1
1 478 . 10 1 1 A 43 43 TYR N N 43 113.500 120.542 -7.042 1
1 479 . 10 1 1 A 44 44 TYR H H 44 9.770 8.310 1.460 1
1 480 . 10 1 1 A 44 44 TYR HA H 44 3.990 4.447 -0.457 1
1 487 . 10 1 1 A 44 44 TYR CA C 44 61.900 62.172 -0.272 1
1 488 . 10 1 1 A 44 44 TYR CB C 44 38.800 38.645 0.155 1
1 491 . 10 1 1 A 44 44 TYR N N 44 119.800 120.682 -0.882 1
1 492 . 10 1 1 A 45 45 HIS H H 45 6.380 8.109 -1.729 1
1 493 . 10 1 1 A 45 45 HIS HA H 45 3.770 4.182 -0.412 1
1 498 . 10 1 1 A 45 45 HIS CA C 45 58.500 59.405 -0.905 1
1 499 . 10 1 1 A 45 45 HIS CB C 45 31.600 30.594 1.006 1
1 502 . 10 1 1 A 45 45 HIS N N 45 114.500 116.926 -2.426 1
1 503 . 10 1 1 A 46 46 LEU H H 46 8.360 8.484 -0.124 1
1 504 . 10 1 1 A 46 46 LEU HA H 46 3.660 3.237 0.423 1
1 514 . 10 1 1 A 46 46 LEU CA C 46 57.100 57.513 -0.413 1
1 515 . 10 1 1 A 46 46 LEU CB C 46 40.800 41.528 -0.728 1
1 519 . 10 1 1 A 46 46 LEU N N 46 121.100 120.477 0.623 1
1 520 . 10 1 1 A 47 47 GLY H H 47 8.440 8.099 0.341 1
1 521 . 10 1 1 A 47 47 GLY HA2 H 47 3.350 3.057 0.293 1
1 522 . 10 1 1 A 47 47 GLY HA3 H 47 3.530 3.651 -0.121 1
1 523 . 10 1 1 A 47 47 GLY CA C 47 47.200 46.799 0.401 1
1 524 . 10 1 1 A 47 47 GLY N N 47 106.500 106.598 -0.098 1
1 525 . 10 1 1 A 48 48 LYS H H 48 7.970 7.396 0.574 1
1 526 . 10 1 1 A 48 48 LYS HA H 48 3.800 3.961 -0.161 1
1 535 . 10 1 1 A 48 48 LYS CA C 48 58.200 59.352 -1.152 1
1 536 . 10 1 1 A 48 48 LYS CB C 48 31.600 32.283 -0.683 1
1 540 . 10 1 1 A 48 48 LYS N N 48 120.500 121.847 -1.347 1
1 541 . 10 1 1 A 49 49 LEU H H 49 7.800 7.549 0.251 1
1 542 . 10 1 1 A 49 49 LEU HA H 49 4.170 3.888 0.282 1
1 552 . 10 1 1 A 49 49 LEU CA C 49 57.500 57.495 0.005 1
1 553 . 10 1 1 A 49 49 LEU CB C 49 41.000 41.571 -0.571 1
1 557 . 10 1 1 A 49 49 LEU N N 49 124.000 120.452 3.548 1
1 558 . 10 1 1 A 50 50 TYR H H 50 8.610 7.921 0.689 1
1 559 . 10 1 1 A 50 50 TYR HA H 50 4.420 4.249 0.171 1
1 566 . 10 1 1 A 50 50 TYR CA C 50 59.600 60.452 -0.852 1
1 567 . 10 1 1 A 50 50 TYR CB C 50 35.600 38.092 -2.492 1
1 570 . 10 1 1 A 50 50 TYR N N 50 119.000 118.780 0.220 1
1 571 . 10 1 1 A 51 51 GLU H H 51 8.410 8.450 -0.040 1
1 572 . 10 1 1 A 51 51 GLU HA H 51 3.760 3.882 -0.122 1
1 577 . 10 1 1 A 51 51 GLU CA C 51 61.600 60.110 1.490 1
1 578 . 10 1 1 A 51 51 GLU CB C 51 29.800 29.445 0.355 1
1 580 . 10 1 1 A 51 51 GLU N N 51 118.600 119.923 -1.323 1
1 581 . 10 1 1 A 52 52 ARG H H 52 7.910 7.947 -0.037 1
1 582 . 10 1 1 A 52 52 ARG HA H 52 4.150 4.099 0.051 1
1 589 . 10 1 1 A 52 52 ARG CA C 52 58.600 58.658 -0.058 1
1 590 . 10 1 1 A 52 52 ARG CB C 52 29.600 29.921 -0.321 1
1 593 . 10 1 1 A 52 52 ARG N N 52 122.200 120.505 1.695 1
1 594 . 10 1 1 A 53 53 LEU H H 53 7.740 7.685 0.055 1
1 595 . 10 1 1 A 53 53 LEU HA H 53 4.400 4.383 0.017 1
1 605 . 10 1 1 A 53 53 LEU CA C 53 54.100 54.668 -0.568 1
1 606 . 10 1 1 A 53 53 LEU CB C 53 41.400 41.915 -0.515 1
1 610 . 10 1 1 A 53 53 LEU N N 53 119.400 117.928 1.472 1
1 611 . 10 1 1 A 54 54 ASP H H 54 8.090 8.122 -0.032 1
1 612 . 10 1 1 A 54 54 ASP HA H 54 4.410 4.254 0.156 1
1 615 . 10 1 1 A 54 54 ASP CA C 54 55.500 55.574 -0.074 1
1 616 . 10 1 1 A 54 54 ASP CB C 54 38.900 40.617 -1.717 1
1 617 . 10 1 1 A 54 54 ASP N N 54 116.300 118.387 -2.087 1
1 618 . 10 1 1 A 55 55 ARG H H 55 8.420 8.438 -0.018 1
1 619 . 10 1 1 A 55 55 ARG HA H 55 4.680 4.585 0.095 1
1 627 . 10 1 1 A 55 55 ARG CA C 55 54.000 54.070 -0.070 1
1 628 . 10 1 1 A 55 55 ARG CB C 55 29.800 27.989 1.811 1
1 631 . 10 1 1 A 55 55 ARG N N 55 120.800 120.515 0.285 1
1 633 . 10 1 1 A 56 56 THR H H 56 7.870 7.778 0.092 1
1 634 . 10 1 1 A 56 56 THR HA H 56 3.510 3.797 -0.287 1
1 639 . 10 1 1 A 56 56 THR CA C 56 67.500 67.356 0.144 1
1 640 . 10 1 1 A 56 56 THR CB C 56 68.000 68.650 -0.650 1
1 642 . 10 1 1 A 56 56 THR N N 56 117.300 116.777 0.523 1
1 643 . 10 1 1 A 57 57 ASP H H 57 8.450 8.408 0.042 1
1 644 . 10 1 1 A 57 57 ASP HA H 57 4.260 4.374 -0.114 1
1 647 . 10 1 1 A 57 57 ASP CA C 57 57.900 57.644 0.256 1
1 648 . 10 1 1 A 57 57 ASP CB C 57 39.100 40.197 -1.097 1
1 649 . 10 1 1 A 57 57 ASP N N 57 120.300 120.431 -0.131 1
1 650 . 10 1 1 A 58 58 ASP H H 58 7.540 7.921 -0.381 1
1 651 . 10 1 1 A 58 58 ASP HA H 58 4.170 4.186 -0.016 1
1 654 . 10 1 1 A 58 58 ASP CA C 58 56.900 57.013 -0.113 1
1 655 . 10 1 1 A 58 58 ASP CB C 58 38.400 39.739 -1.339 1
1 656 . 10 1 1 A 58 58 ASP N N 58 120.200 119.932 0.268 1
1 657 . 10 1 1 A 59 59 ALA H H 59 8.110 7.853 0.257 1
1 658 . 10 1 1 A 59 59 ALA HA H 59 3.760 4.060 -0.300 1
1 662 . 10 1 1 A 59 59 ALA CA C 59 56.000 55.106 0.894 1
1 663 . 10 1 1 A 59 59 ALA CB C 59 19.200 18.395 0.805 1
1 664 . 10 1 1 A 59 59 ALA N N 59 124.700 122.211 2.489 1
1 665 . 10 1 1 A 60 60 ILE H H 60 8.230 8.069 0.161 1
1 666 . 10 1 1 A 60 60 ILE HA H 60 3.520 3.820 -0.300 1
1 676 . 10 1 1 A 60 60 ILE CA C 60 66.800 65.422 1.378 1
1 677 . 10 1 1 A 60 60 ILE CB C 60 38.400 37.848 0.552 1
1 681 . 10 1 1 A 60 60 ILE N N 60 117.600 118.129 -0.529 1
1 682 . 10 1 1 A 61 61 ASP H H 61 7.750 8.111 -0.361 1
1 683 . 10 1 1 A 61 61 ASP HA H 61 4.440 4.273 0.167 1
1 686 . 10 1 1 A 61 61 ASP CA C 61 57.100 57.261 -0.161 1
1 687 . 10 1 1 A 61 61 ASP CB C 61 40.500 41.220 -0.720 1
1 688 . 10 1 1 A 61 61 ASP N N 61 118.300 120.501 -2.201 1
1 689 . 10 1 1 A 62 62 THR H H 62 8.040 7.869 0.171 1
1 690 . 10 1 1 A 62 62 THR HA H 62 4.070 4.032 0.038 1
1 695 . 10 1 1 A 62 62 THR CA C 62 68.000 66.534 1.466 1
1 696 . 10 1 1 A 62 62 THR CB C 62 68.600 68.498 0.102 1
1 698 . 10 1 1 A 62 62 THR N N 62 119.800 115.878 3.922 1
1 699 . 10 1 1 A 63 63 TYR H H 63 8.970 8.091 0.879 1
1 700 . 10 1 1 A 63 63 TYR HA H 63 4.480 4.437 0.043 1
1 707 . 10 1 1 A 63 63 TYR CA C 63 59.200 60.952 -1.752 1
1 708 . 10 1 1 A 63 63 TYR CB C 63 37.700 37.361 0.339 1
1 711 . 10 1 1 A 63 63 TYR N N 63 121.700 120.676 1.024 1
1 712 . 10 1 1 A 64 64 ALA H H 64 8.690 8.552 0.138 1
1 713 . 10 1 1 A 64 64 ALA HA H 64 4.000 4.132 -0.132 1
1 717 . 10 1 1 A 64 64 ALA CA C 64 55.500 55.291 0.209 1
1 718 . 10 1 1 A 64 64 ALA CB C 64 17.800 18.274 -0.474 1
1 719 . 10 1 1 A 64 64 ALA N N 64 119.400 122.404 -3.004 1
1 720 . 10 1 1 A 65 65 GLN H H 65 8.100 7.928 0.172 1
1 721 . 10 1 1 A 65 65 GLN HA H 65 4.010 4.045 -0.035 1
1 728 . 10 1 1 A 65 65 GLN CA C 65 58.600 59.162 -0.562 1
1 729 . 10 1 1 A 65 65 GLN CB C 65 28.500 27.899 0.601 1
1 731 . 10 1 1 A 65 65 GLN N N 65 119.600 118.069 1.531 1
1 733 . 10 1 1 A 66 66 GLY H H 66 8.430 8.129 0.301 1
1 734 . 10 1 1 A 66 66 GLY HA2 H 66 3.080 3.162 -0.082 1
1 735 . 10 1 1 A 66 66 GLY HA3 H 66 2.520 3.585 -1.065 1
1 736 . 10 1 1 A 66 66 GLY CA C 66 46.800 47.268 -0.468 1
1 737 . 10 1 1 A 66 66 GLY N N 66 108.200 106.483 1.717 1
1 738 . 10 1 1 A 67 67 ILE H H 67 8.570 8.410 0.160 1
1 739 . 10 1 1 A 67 67 ILE HA H 67 3.320 3.834 -0.514 1
1 749 . 10 1 1 A 67 67 ILE CA C 67 65.900 64.023 1.877 1
1 750 . 10 1 1 A 67 67 ILE CB C 67 38.400 37.258 1.142 1
1 754 . 10 1 1 A 67 67 ILE N N 67 123.500 122.245 1.255 1
1 755 . 10 1 1 A 68 68 GLU H H 68 7.030 7.689 -0.659 1
1 756 . 10 1 1 A 68 68 GLU HA H 68 3.960 4.021 -0.061 1
1 761 . 10 1 1 A 68 68 GLU CA C 68 58.700 59.498 -0.798 1
1 762 . 10 1 1 A 68 68 GLU CB C 68 28.500 29.405 -0.905 1
1 764 . 10 1 1 A 68 68 GLU N N 68 116.500 119.483 -2.983 1
1 765 . 10 1 1 A 69 69 VAL H H 69 7.440 7.585 -0.145 1
1 766 . 10 1 1 A 69 69 VAL HA H 69 3.740 3.899 -0.159 1
1 774 . 10 1 1 A 69 69 VAL CA C 69 65.700 64.544 1.156 1
1 775 . 10 1 1 A 69 69 VAL CB C 69 32.000 31.144 0.856 1
1 778 . 10 1 1 A 69 69 VAL N N 69 119.500 116.192 3.308 1
1 779 . 10 1 1 A 70 70 ALA H H 70 9.290 8.275 1.015 1
1 780 . 10 1 1 A 70 70 ALA HA H 70 3.820 3.985 -0.165 1
1 784 . 10 1 1 A 70 70 ALA CA C 70 54.400 55.588 -1.188 1
1 785 . 10 1 1 A 70 70 ALA CB C 70 18.000 18.110 -0.110 1
1 786 . 10 1 1 A 70 70 ALA N N 70 122.500 124.468 -1.968 1
1 787 . 10 1 1 A 71 71 ARG H H 71 8.280 7.870 0.410 1
1 788 . 10 1 1 A 71 71 ARG HA H 71 3.870 4.028 -0.158 1
1 796 . 10 1 1 A 71 71 ARG CA C 71 59.500 58.992 0.508 1
1 797 . 10 1 1 A 71 71 ARG CB C 71 30.000 29.971 0.029 1
1 800 . 10 1 1 A 71 71 ARG N N 71 116.900 117.045 -0.145 1
1 802 . 10 1 1 A 72 72 GLU H H 72 7.390 7.709 -0.319 1
1 803 . 10 1 1 A 72 72 GLU HA H 72 4.300 4.216 0.084 1
1 808 . 10 1 1 A 72 72 GLU CA C 72 57.700 58.684 -0.984 1
1 809 . 10 1 1 A 72 72 GLU CB C 72 30.500 30.466 0.034 1
1 811 . 10 1 1 A 72 72 GLU N N 72 116.800 118.690 -1.890 1
1 812 . 10 1 1 A 73 73 GLU H H 73 8.490 8.267 0.223 1
1 813 . 10 1 1 A 73 73 GLU HA H 73 4.550 4.268 0.282 1
1 818 . 10 1 1 A 73 73 GLU CA C 73 55.900 58.781 -2.881 1
1 819 . 10 1 1 A 73 73 GLU CB C 73 30.800 30.068 0.732 1
1 821 . 10 1 1 A 73 73 GLU N N 73 115.000 118.681 -3.681 1
1 822 . 10 1 1 A 74 74 GLY H H 74 8.070 7.921 0.149 1
1 823 . 10 1 1 A 74 74 GLY HA2 H 74 4.450 3.872 0.578 1
1 824 . 10 1 1 A 74 74 GLY HA3 H 74 3.830 3.880 -0.050 1
1 825 . 10 1 1 A 74 74 GLY CA C 74 44.600 44.614 -0.014 1
1 826 . 10 1 1 A 74 74 GLY N N 74 108.100 109.298 -1.198 1
1 827 . 10 1 1 A 75 75 THR H H 75 8.760 7.776 0.984 1
1 828 . 10 1 1 A 75 75 THR HA H 75 4.670 4.819 -0.149 1
1 833 . 10 1 1 A 75 75 THR CA C 75 59.000 60.509 -1.509 1
1 834 . 10 1 1 A 75 75 THR CB C 75 70.900 70.176 0.724 1
1 836 . 10 1 1 A 75 75 THR N N 75 111.400 115.256 -3.856 1
1 837 . 10 1 1 A 76 76 GLN H H 76 8.710 8.745 -0.035 1
1 838 . 10 1 1 A 76 76 GLN HA H 76 3.940 3.966 -0.026 1
1 845 . 10 1 1 A 76 76 GLN CA C 76 58.700 58.778 -0.078 1
1 846 . 10 1 1 A 76 76 GLN CB C 76 27.900 28.437 -0.537 1
1 848 . 10 1 1 A 76 76 GLN N N 76 123.100 125.442 -2.342 1
1 850 . 10 1 1 A 77 77 LYS H H 77 8.240 7.615 0.625 1
1 851 . 10 1 1 A 77 77 LYS HA H 77 4.000 4.011 -0.011 1
1 860 . 10 1 1 A 77 77 LYS CA C 77 59.200 59.543 -0.343 1
1 861 . 10 1 1 A 77 77 LYS CB C 77 31.900 32.025 -0.125 1
1 865 . 10 1 1 A 77 77 LYS N N 77 121.000 119.156 1.844 1
1 866 . 10 1 1 A 78 78 ASP H H 78 7.390 8.270 -0.880 1
1 867 . 10 1 1 A 78 78 ASP HA H 78 4.170 4.285 -0.115 1
1 870 . 10 1 1 A 78 78 ASP CA C 78 57.000 57.251 -0.251 1
1 871 . 10 1 1 A 78 78 ASP CB C 78 41.400 40.273 1.127 1
1 872 . 10 1 1 A 78 78 ASP N N 78 117.800 119.889 -2.089 1
1 873 . 10 1 1 A 79 79 LEU H H 79 7.690 7.872 -0.182 1
1 874 . 10 1 1 A 79 79 LEU HA H 79 3.770 4.083 -0.313 1
1 884 . 10 1 1 A 79 79 LEU CA C 79 58.100 58.152 -0.052 1
1 885 . 10 1 1 A 79 79 LEU CB C 79 42.100 41.275 0.825 1
1 889 . 10 1 1 A 79 79 LEU N N 79 118.400 122.724 -4.324 1
1 890 . 10 1 1 A 80 80 SER H H 80 8.400 8.158 0.242 1
1 891 . 10 1 1 A 80 80 SER HA H 80 4.170 4.032 0.138 1
1 894 . 10 1 1 A 80 80 SER CA C 80 61.500 61.542 -0.042 1
1 895 . 10 1 1 A 80 80 SER CB C 80 62.500 62.772 -0.272 1
1 896 . 10 1 1 A 80 80 SER N N 80 114.000 114.745 -0.745 1
1 897 . 10 1 1 A 81 81 GLU H H 81 7.930 7.574 0.356 1
1 898 . 10 1 1 A 81 81 GLU HA H 81 4.030 4.062 -0.032 1
1 903 . 10 1 1 A 81 81 GLU CA C 81 59.000 59.272 -0.272 1
1 904 . 10 1 1 A 81 81 GLU CB C 81 29.000 29.262 -0.262 1
1 906 . 10 1 1 A 81 81 GLU N N 81 121.000 122.077 -1.077 1
1 907 . 10 1 1 A 82 82 LEU H H 82 7.870 8.616 -0.746 1
1 908 . 10 1 1 A 82 82 LEU HA H 82 3.890 3.940 -0.050 1
1 918 . 10 1 1 A 82 82 LEU CA C 82 57.900 57.998 -0.098 1
1 919 . 10 1 1 A 82 82 LEU CB C 82 43.900 41.371 2.529 1
1 923 . 10 1 1 A 82 82 LEU N N 82 120.900 120.076 0.824 1
1 924 . 10 1 1 A 83 83 GLN H H 83 8.520 8.201 0.319 1
1 925 . 10 1 1 A 83 83 GLN HA H 83 3.900 3.885 0.015 1
1 932 . 10 1 1 A 83 83 GLN CA C 83 59.200 59.014 0.186 1
1 933 . 10 1 1 A 83 83 GLN CB C 83 28.300 28.311 -0.011 1
1 935 . 10 1 1 A 83 83 GLN N N 83 118.300 118.674 -0.374 1
1 937 . 10 1 1 A 84 84 ASP H H 84 8.140 7.983 0.157 1
1 938 . 10 1 1 A 84 84 ASP HA H 84 4.340 4.349 -0.009 1
1 941 . 10 1 1 A 84 84 ASP CA C 84 57.100 57.624 -0.524 1
1 942 . 10 1 1 A 84 84 ASP CB C 84 41.000 41.306 -0.306 1
1 943 . 10 1 1 A 84 84 ASP N N 84 119.700 119.748 -0.048 1
1 944 . 10 1 1 A 85 85 ALA H H 85 7.740 8.369 -0.629 1
1 945 . 10 1 1 A 85 85 ALA HA H 85 3.810 3.824 -0.014 1
1 949 . 10 1 1 A 85 85 ALA CA C 85 54.600 54.844 -0.244 1
1 950 . 10 1 1 A 85 85 ALA CB C 85 16.200 17.962 -1.762 1
1 951 . 10 1 1 A 85 85 ALA N N 85 121.600 121.170 0.430 1
1 952 . 10 1 1 A 86 86 LYS H H 86 8.070 7.556 0.514 1
1 953 . 10 1 1 A 86 86 LYS HA H 86 3.810 4.140 -0.330 1
1 962 . 10 1 1 A 86 86 LYS CA C 86 60.600 59.137 1.463 1
1 963 . 10 1 1 A 86 86 LYS CB C 86 33.300 32.082 1.218 1
1 967 . 10 1 1 A 86 86 LYS N N 86 120.200 116.456 3.744 1
1 968 . 10 1 1 A 87 87 LEU H H 87 7.780 8.159 -0.379 1
1 969 . 10 1 1 A 87 87 LEU HA H 87 4.160 4.019 0.141 1
1 979 . 10 1 1 A 87 87 LEU CA C 87 57.500 58.141 -0.641 1
1 980 . 10 1 1 A 87 87 LEU CB C 87 41.900 41.546 0.354 1
1 984 . 10 1 1 A 87 87 LEU N N 87 118.400 121.338 -2.938 1
1 985 . 10 1 1 A 88 88 LYS H H 88 7.900 8.320 -0.420 1
1 986 . 10 1 1 A 88 88 LYS HA H 88 3.960 4.038 -0.078 1
1 995 . 10 1 1 A 88 88 LYS CA C 88 59.200 58.975 0.225 1
1 996 . 10 1 1 A 88 88 LYS CB C 88 32.000 32.167 -0.167 1
1 1000 . 10 1 1 A 88 88 LYS N N 88 118.700 117.409 1.291 1
1 1001 . 10 1 1 A 89 89 ALA H H 89 8.000 7.732 0.268 1
1 1002 . 10 1 1 A 89 89 ALA HA H 89 4.150 4.100 0.050 1
1 1006 . 10 1 1 A 89 89 ALA CA C 89 54.500 54.854 -0.354 1
1 1007 . 10 1 1 A 89 89 ALA CB C 89 17.800 18.394 -0.594 1
1 1008 . 10 1 1 A 89 89 ALA N N 89 122.400 121.979 0.421 1
1 1009 . 10 1 1 A 90 90 GLU H H 90 8.300 8.406 -0.106 1
1 1010 . 10 1 1 A 90 90 GLU HA H 90 3.930 4.095 -0.165 1
1 1015 . 10 1 1 A 90 90 GLU CA C 90 58.000 59.157 -1.157 1
1 1016 . 10 1 1 A 90 90 GLU CB C 90 29.700 29.552 0.148 1
1 1018 . 10 1 1 A 90 90 GLU N N 90 116.700 117.430 -0.730 1
1 1019 . 10 1 1 A 91 91 GLY H H 91 7.710 7.998 -0.288 1
1 1020 . 10 1 1 A 91 91 GLY HA2 H 91 4.070 4.036 0.034 1
1 1021 . 10 1 1 A 91 91 GLY HA3 H 91 3.870 4.050 -0.180 1
1 1022 . 10 1 1 A 91 91 GLY CA C 91 45.500 45.448 0.052 1
1 1023 . 10 1 1 A 91 91 GLY N N 91 106.000 108.480 -2.480 1
1 1024 . 10 1 1 A 92 92 LEU H H 92 7.640 7.584 0.056 1
1 1025 . 10 1 1 A 92 92 LEU HA H 92 4.270 4.118 0.152 1
1 1035 . 10 1 1 A 92 92 LEU CA C 92 55.200 57.546 -2.346 1
1 1036 . 10 1 1 A 92 92 LEU CB C 92 42.100 42.600 -0.500 1
1 1040 . 10 1 1 A 92 92 LEU N N 92 121.200 121.678 -0.478 1
1 1041 . 10 1 1 A 93 93 GLU H H 93 8.290 7.912 0.378 1
1 1042 . 10 1 1 A 93 93 GLU HA H 93 4.130 4.772 -0.642 1
1 1047 . 10 1 1 A 93 93 GLU CA C 93 56.700 54.345 2.355 1
1 1048 . 10 1 1 A 93 93 GLU CB C 93 29.700 31.957 -2.257 1
1 1050 . 10 1 1 A 93 93 GLU N N 93 120.200 114.212 5.988 1
1 1051 . 10 1 1 A 94 94 HIS H H 94 8.260 8.525 -0.265 1
1 1052 . 10 1 1 A 94 94 HIS HA H 94 4.560 5.266 -0.706 1
1 1055 . 10 1 1 A 94 94 HIS CA C 94 55.400 53.752 1.648 1
1 1056 . 10 1 1 A 94 94 HIS CB C 94 29.700 31.034 -1.334 1
1 1057 . 10 1 1 A 94 94 HIS N N 94 118.900 115.563 3.337 1
1 1058 . 10 1 1 A 95 95 HIS H H 95 8.170 8.783 -0.613 1
1 1059 . 10 1 1 A 95 95 HIS HA H 95 4.410 4.518 -0.108 1
1 1062 . 10 1 1 A 95 95 HIS CA C 95 57.000 56.798 0.202 1
1 1063 . 10 1 1 A 95 95 HIS CB C 95 30.000 29.682 0.318 1
1 9 . 11 1 1 A 2 2 ASP H H 2 8.560 8.656 -0.096 1
1 10 . 11 1 1 A 2 2 ASP HA H 2 4.850 5.132 -0.282 1
1 13 . 11 1 1 A 2 2 ASP CA C 2 52.200 50.978 1.222 1
1 14 . 11 1 1 A 2 2 ASP CB C 2 40.900 42.128 -1.228 1
1 15 . 11 1 1 A 2 2 ASP N N 2 123.000 125.095 -2.095 1
1 16 . 11 1 1 A 3 3 PRO HA H 3 4.380 4.402 -0.022 1
1 23 . 11 1 1 A 3 3 PRO CA C 3 63.500 64.144 -0.644 1
1 24 . 11 1 1 A 3 3 PRO CB C 3 32.100 31.730 0.370 1
1 27 . 11 1 1 A 4 4 GLU H H 4 8.410 8.313 0.097 1
1 28 . 11 1 1 A 4 4 GLU HA H 4 4.250 4.263 -0.013 1
1 33 . 11 1 1 A 4 4 GLU CA C 4 55.900 57.086 -1.186 1
1 34 . 11 1 1 A 4 4 GLU CB C 4 30.100 30.277 -0.177 1
1 36 . 11 1 1 A 4 4 GLU N N 4 118.300 117.036 1.264 1
1 37 . 11 1 1 A 5 5 ASP H H 5 8.030 7.550 0.480 1
1 38 . 11 1 1 A 5 5 ASP HA H 5 4.730 4.756 -0.026 1
1 41 . 11 1 1 A 5 5 ASP CA C 5 52.600 52.837 -0.237 1
1 42 . 11 1 1 A 5 5 ASP CB C 5 41.700 40.239 1.461 1
1 43 . 11 1 1 A 5 5 ASP N N 5 123.700 120.656 3.044 1
1 44 . 11 1 1 A 6 6 PRO HA H 6 3.940 4.309 -0.369 1
1 51 . 11 1 1 A 6 6 PRO CA C 6 64.900 65.489 -0.589 1
1 52 . 11 1 1 A 6 6 PRO CB C 6 31.000 31.626 -0.626 1
1 55 . 11 1 1 A 7 7 PHE H H 7 8.130 7.803 0.327 1
1 56 . 11 1 1 A 7 7 PHE HA H 7 4.220 4.162 0.058 1
1 64 . 11 1 1 A 7 7 PHE CA C 7 60.800 61.329 -0.529 1
1 65 . 11 1 1 A 7 7 PHE CB C 7 38.300 39.056 -0.756 1
1 69 . 11 1 1 A 7 7 PHE N N 7 117.200 118.526 -1.326 1
1 70 . 11 1 1 A 8 8 THR H H 8 7.830 8.236 -0.406 1
1 71 . 11 1 1 A 8 8 THR HA H 8 3.710 3.951 -0.241 1
1 76 . 11 1 1 A 8 8 THR CA C 8 66.200 67.005 -0.805 1
1 77 . 11 1 1 A 8 8 THR CB C 8 68.300 68.682 -0.382 1
1 79 . 11 1 1 A 8 8 THR N N 8 115.700 115.355 0.345 1
1 80 . 11 1 1 A 9 9 ARG H H 9 7.300 8.356 -1.056 1
1 81 . 11 1 1 A 9 9 ARG HA H 9 3.840 3.975 -0.135 1
1 89 . 11 1 1 A 9 9 ARG CA C 9 59.700 58.645 1.055 1
1 90 . 11 1 1 A 9 9 ARG CB C 9 30.400 30.073 0.327 1
1 93 . 11 1 1 A 9 9 ARG N N 9 121.400 120.216 1.184 1
1 95 . 11 1 1 A 10 10 TYR H H 10 8.480 7.808 0.672 1
1 96 . 11 1 1 A 10 10 TYR HA H 10 3.800 3.963 -0.163 1
1 103 . 11 1 1 A 10 10 TYR CA C 10 61.400 61.221 0.179 1
1 104 . 11 1 1 A 10 10 TYR CB C 10 38.300 38.295 0.005 1
1 107 . 11 1 1 A 10 10 TYR N N 10 121.700 121.583 0.117 1
1 108 . 11 1 1 A 11 11 ALA H H 11 8.500 7.943 0.557 1
1 109 . 11 1 1 A 11 11 ALA HA H 11 3.700 3.499 0.201 1
1 113 . 11 1 1 A 11 11 ALA CA C 11 54.400 54.801 -0.401 1
1 114 . 11 1 1 A 11 11 ALA CB C 11 17.300 18.088 -0.788 1
1 115 . 11 1 1 A 11 11 ALA N N 11 121.700 121.347 0.353 1
1 116 . 11 1 1 A 12 12 LEU H H 12 7.690 8.211 -0.521 1
1 117 . 11 1 1 A 12 12 LEU HA H 12 3.920 3.874 0.046 1
1 127 . 11 1 1 A 12 12 LEU CA C 12 57.100 57.846 -0.746 1
1 128 . 11 1 1 A 12 12 LEU CB C 12 41.500 41.281 0.219 1
1 132 . 11 1 1 A 12 12 LEU N N 12 120.900 118.101 2.799 1
1 133 . 11 1 1 A 13 13 ALA H H 13 8.010 7.969 0.041 1
1 134 . 11 1 1 A 13 13 ALA HA H 13 3.500 3.876 -0.376 1
1 138 . 11 1 1 A 13 13 ALA CA C 13 55.400 55.427 -0.027 1
1 139 . 11 1 1 A 13 13 ALA CB C 13 17.400 17.652 -0.252 1
1 140 . 11 1 1 A 13 13 ALA N N 13 123.000 121.668 1.332 1
1 141 . 11 1 1 A 14 14 GLN H H 14 7.660 7.619 0.041 1
1 142 . 11 1 1 A 14 14 GLN HA H 14 3.910 4.121 -0.211 1
1 149 . 11 1 1 A 14 14 GLN CA C 14 58.200 58.731 -0.531 1
1 150 . 11 1 1 A 14 14 GLN CB C 14 27.700 28.175 -0.475 1
1 152 . 11 1 1 A 14 14 GLN N N 14 114.000 116.933 -2.933 1
1 154 . 11 1 1 A 15 15 GLU H H 15 7.900 8.106 -0.206 1
1 155 . 11 1 1 A 15 15 GLU HA H 15 3.900 4.018 -0.118 1
1 160 . 11 1 1 A 15 15 GLU CA C 15 58.800 59.390 -0.590 1
1 161 . 11 1 1 A 15 15 GLU CB C 15 28.600 29.551 -0.951 1
1 163 . 11 1 1 A 15 15 GLU N N 15 122.400 121.070 1.330 1
1 164 . 11 1 1 A 16 16 HIS H H 16 8.220 7.873 0.347 1
1 165 . 11 1 1 A 16 16 HIS HA H 16 4.520 4.340 0.180 1
1 170 . 11 1 1 A 16 16 HIS CA C 16 59.700 59.459 0.241 1
1 171 . 11 1 1 A 16 16 HIS CB C 16 29.600 29.743 -0.143 1
1 174 . 11 1 1 A 16 16 HIS N N 16 119.100 119.037 0.063 1
1 175 . 11 1 1 A 17 17 LEU H H 17 8.090 8.376 -0.286 1
1 176 . 11 1 1 A 17 17 LEU HA H 17 3.870 3.859 0.011 1
1 186 . 11 1 1 A 17 17 LEU CA C 17 57.900 57.981 -0.081 1
1 187 . 11 1 1 A 17 17 LEU CB C 17 41.400 41.603 -0.203 1
1 191 . 11 1 1 A 17 17 LEU N N 17 120.500 119.971 0.529 1
1 192 . 11 1 1 A 18 18 LYS H H 18 7.960 7.978 -0.018 1
1 193 . 11 1 1 A 18 18 LYS HA H 18 4.030 4.108 -0.078 1
1 202 . 11 1 1 A 18 18 LYS CA C 18 58.400 58.941 -0.541 1
1 203 . 11 1 1 A 18 18 LYS CB C 18 31.800 32.102 -0.302 1
1 207 . 11 1 1 A 18 18 LYS N N 18 121.000 117.228 3.772 1
1 208 . 11 1 1 A 19 19 HIS H H 19 7.410 7.623 -0.213 1
1 209 . 11 1 1 A 19 19 HIS HA H 19 4.720 4.593 0.127 1
1 213 . 11 1 1 A 19 19 HIS CA C 19 54.700 55.536 -0.836 1
1 214 . 11 1 1 A 19 19 HIS CB C 19 28.500 29.874 -1.374 1
1 216 . 11 1 1 A 19 19 HIS N N 19 115.800 115.345 0.455 1
1 217 . 11 1 1 A 20 20 ASP H H 20 8.010 8.120 -0.110 1
1 218 . 11 1 1 A 20 20 ASP HA H 20 4.370 4.194 0.176 1
1 221 . 11 1 1 A 20 20 ASP CA C 20 55.600 55.581 0.019 1
1 222 . 11 1 1 A 20 20 ASP CB C 20 39.600 40.711 -1.111 1
1 223 . 11 1 1 A 20 20 ASP N N 20 115.900 118.341 -2.441 1
1 224 . 11 1 1 A 21 21 ASN H H 21 8.450 8.572 -0.122 1
1 225 . 11 1 1 A 21 21 ASN HA H 21 5.130 5.008 0.122 1
1 230 . 11 1 1 A 21 21 ASN CA C 21 50.600 52.095 -1.495 1
1 231 . 11 1 1 A 21 21 ASN CB C 21 37.000 36.412 0.588 1
1 232 . 11 1 1 A 21 21 ASN N N 21 118.700 118.089 0.611 1
1 234 . 11 1 1 A 22 22 ALA H H 22 8.010 8.275 -0.265 1
1 235 . 11 1 1 A 22 22 ALA HA H 22 3.840 3.983 -0.143 1
1 239 . 11 1 1 A 22 22 ALA CA C 22 55.300 55.377 -0.077 1
1 240 . 11 1 1 A 22 22 ALA CB C 22 18.300 18.473 -0.173 1
1 241 . 11 1 1 A 22 22 ALA N N 22 123.300 125.044 -1.744 1
1 242 . 11 1 1 A 23 23 SER H H 23 8.670 7.982 0.688 1
1 243 . 11 1 1 A 23 23 SER HA H 23 4.070 4.149 -0.079 1
1 246 . 11 1 1 A 23 23 SER CA C 23 61.800 61.469 0.331 1
1 247 . 11 1 1 A 23 23 SER CB C 23 61.900 63.022 -1.122 1
1 248 . 11 1 1 A 23 23 SER N N 23 112.500 112.965 -0.465 1
1 249 . 11 1 1 A 24 24 ARG H H 24 7.230 7.886 -0.656 1
1 250 . 11 1 1 A 24 24 ARG HA H 24 3.960 3.933 0.027 1
1 257 . 11 1 1 A 24 24 ARG CA C 24 57.000 59.750 -2.750 1
1 258 . 11 1 1 A 24 24 ARG CB C 24 29.100 29.946 -0.846 1
1 261 . 11 1 1 A 24 24 ARG N N 24 122.300 121.693 0.607 1
1 262 . 11 1 1 A 25 25 ALA H H 25 7.340 8.056 -0.716 1
1 263 . 11 1 1 A 25 25 ALA HA H 25 3.570 3.968 -0.398 1
1 267 . 11 1 1 A 25 25 ALA CA C 25 55.300 54.998 0.302 1
1 268 . 11 1 1 A 25 25 ALA CB C 25 18.700 18.118 0.582 1
1 269 . 11 1 1 A 25 25 ALA N N 25 120.200 121.668 -1.468 1
1 270 . 11 1 1 A 26 26 LEU H H 26 8.420 8.212 0.208 1
1 271 . 11 1 1 A 26 26 LEU HA H 26 3.800 4.196 -0.396 1
1 281 . 11 1 1 A 26 26 LEU CA C 26 58.300 57.870 0.430 1
1 282 . 11 1 1 A 26 26 LEU CB C 26 41.800 41.370 0.430 1
1 286 . 11 1 1 A 26 26 LEU N N 26 116.500 120.613 -4.113 1
1 287 . 11 1 1 A 27 27 ALA H H 27 7.190 8.204 -1.014 1
1 288 . 11 1 1 A 27 27 ALA HA H 27 4.120 3.999 0.121 1
1 292 . 11 1 1 A 27 27 ALA CA C 27 54.700 55.054 -0.354 1
1 293 . 11 1 1 A 27 27 ALA CB C 27 18.000 18.175 -0.175 1
1 294 . 11 1 1 A 27 27 ALA N N 27 118.200 120.362 -2.162 1
1 295 . 11 1 1 A 28 28 LEU H H 28 7.500 7.806 -0.306 1
1 296 . 11 1 1 A 28 28 LEU HA H 28 4.070 3.874 0.196 1
1 306 . 11 1 1 A 28 28 LEU CA C 28 57.600 57.508 0.092 1
1 307 . 11 1 1 A 28 28 LEU CB C 28 43.100 42.137 0.963 1
1 311 . 11 1 1 A 28 28 LEU N N 28 118.300 119.634 -1.334 1
1 312 . 11 1 1 A 29 29 PHE H H 29 8.690 8.455 0.235 1
1 313 . 11 1 1 A 29 29 PHE HA H 29 4.630 4.323 0.307 1
1 321 . 11 1 1 A 29 29 PHE CA C 29 58.700 60.461 -1.761 1
1 322 . 11 1 1 A 29 29 PHE CB C 29 40.300 38.196 2.104 1
1 326 . 11 1 1 A 29 29 PHE N N 29 119.000 117.512 1.488 1
1 327 . 11 1 1 A 30 30 GLU H H 30 8.990 8.589 0.401 1
1 328 . 11 1 1 A 30 30 GLU HA H 30 3.790 3.877 -0.087 1
1 333 . 11 1 1 A 30 30 GLU CA C 30 60.100 60.190 -0.090 1
1 334 . 11 1 1 A 30 30 GLU CB C 30 29.100 29.156 -0.056 1
1 336 . 11 1 1 A 30 30 GLU N N 30 117.400 118.802 -1.402 1
1 337 . 11 1 1 A 31 31 GLU H H 31 7.830 7.759 0.071 1
1 338 . 11 1 1 A 31 31 GLU HA H 31 4.160 4.134 0.026 1
1 343 . 11 1 1 A 31 31 GLU CA C 31 58.800 58.975 -0.175 1
1 344 . 11 1 1 A 31 31 GLU CB C 31 29.900 29.348 0.552 1
1 346 . 11 1 1 A 31 31 GLU N N 31 119.500 119.813 -0.313 1
1 347 . 11 1 1 A 32 32 LEU H H 32 7.920 8.372 -0.452 1
1 348 . 11 1 1 A 32 32 LEU HA H 32 4.130 4.149 -0.019 1
1 358 . 11 1 1 A 32 32 LEU CA C 32 58.200 58.148 0.052 1
1 359 . 11 1 1 A 32 32 LEU CB C 32 43.000 41.528 1.472 1
1 363 . 11 1 1 A 32 32 LEU N N 32 122.000 120.238 1.762 1
1 364 . 11 1 1 A 33 33 VAL H H 33 7.460 7.772 -0.312 1
1 365 . 11 1 1 A 33 33 VAL HA H 33 3.590 3.329 0.261 1
1 373 . 11 1 1 A 33 33 VAL CA C 33 65.800 66.917 -1.117 1
1 374 . 11 1 1 A 33 33 VAL CB C 33 31.500 31.123 0.377 1
1 377 . 11 1 1 A 33 33 VAL N N 33 116.000 119.571 -3.571 1
1 378 . 11 1 1 A 34 34 GLU H H 34 7.210 8.366 -1.156 1
1 379 . 11 1 1 A 34 34 GLU HA H 34 4.130 4.128 0.002 1
1 384 . 11 1 1 A 34 34 GLU CA C 34 58.500 59.017 -0.517 1
1 385 . 11 1 1 A 34 34 GLU CB C 34 29.900 29.112 0.788 1
1 387 . 11 1 1 A 34 34 GLU N N 34 117.400 119.459 -2.059 1
1 388 . 11 1 1 A 35 35 THR H H 35 9.100 7.733 1.367 1
1 389 . 11 1 1 A 35 35 THR HA H 35 4.180 4.309 -0.129 1
1 394 . 11 1 1 A 35 35 THR CA C 35 63.900 63.586 0.314 1
1 395 . 11 1 1 A 35 35 THR CB C 35 69.300 69.259 0.041 1
1 397 . 11 1 1 A 35 35 THR N N 35 109.900 111.403 -1.503 1
1 398 . 11 1 1 A 36 36 ASP H H 36 8.630 8.156 0.474 1
1 399 . 11 1 1 A 36 36 ASP HA H 36 5.300 5.150 0.150 1
1 402 . 11 1 1 A 36 36 ASP CA C 36 52.700 51.651 1.049 1
1 403 . 11 1 1 A 36 36 ASP CB C 36 42.400 41.477 0.923 1
1 404 . 11 1 1 A 36 36 ASP N N 36 122.800 120.369 2.431 1
1 405 . 11 1 1 A 37 37 PRO HA H 37 4.560 4.707 -0.147 1
1 412 . 11 1 1 A 37 37 PRO CA C 37 64.400 64.459 -0.059 1
1 413 . 11 1 1 A 37 37 PRO CB C 37 31.100 32.214 -1.114 1
1 416 . 11 1 1 A 38 38 ASP H H 38 8.630 8.555 0.075 1
1 417 . 11 1 1 A 38 38 ASP HA H 38 4.570 4.474 0.096 1
1 420 . 11 1 1 A 38 38 ASP CA C 38 53.800 56.566 -2.766 1
1 421 . 11 1 1 A 38 38 ASP CB C 38 39.500 40.476 -0.976 1
1 422 . 11 1 1 A 38 38 ASP N N 38 113.700 116.856 -3.156 1
1 423 . 11 1 1 A 39 39 TYR H H 39 8.110 7.845 0.265 1
1 424 . 11 1 1 A 39 39 TYR HA H 39 4.540 4.728 -0.188 1
1 431 . 11 1 1 A 39 39 TYR CA C 39 58.500 56.295 2.205 1
1 432 . 11 1 1 A 39 39 TYR CB C 39 36.500 37.880 -1.380 1
1 435 . 11 1 1 A 39 39 TYR N N 39 123.700 120.840 2.860 1
1 436 . 11 1 1 A 40 40 VAL H H 40 7.880 7.818 0.062 1
1 437 . 11 1 1 A 40 40 VAL HA H 40 3.770 3.842 -0.072 1
1 445 . 11 1 1 A 40 40 VAL CA C 40 65.000 66.426 -1.426 1
1 446 . 11 1 1 A 40 40 VAL CB C 40 32.500 31.499 1.001 1
1 449 . 11 1 1 A 40 40 VAL N N 40 128.100 125.717 2.383 1
1 450 . 11 1 1 A 41 41 GLY H H 41 7.530 8.009 -0.479 1
1 451 . 11 1 1 A 41 41 GLY HA2 H 41 3.410 3.853 -0.443 1
1 452 . 11 1 1 A 41 41 GLY HA3 H 41 3.880 4.069 -0.189 1
1 453 . 11 1 1 A 41 41 GLY CA C 41 46.400 47.292 -0.892 1
1 454 . 11 1 1 A 41 41 GLY N N 41 105.900 108.423 -2.523 1
1 455 . 11 1 1 A 42 42 THR H H 42 7.150 8.089 -0.939 1
1 456 . 11 1 1 A 42 42 THR HA H 42 3.580 4.365 -0.785 1
1 462 . 11 1 1 A 42 42 THR CA C 42 65.600 67.555 -1.955 1
1 463 . 11 1 1 A 42 42 THR CB C 42 68.900 68.701 0.199 1
1 465 . 11 1 1 A 42 42 THR N N 42 111.900 118.577 -6.677 1
1 466 . 11 1 1 A 43 43 TYR H H 43 7.040 8.452 -1.412 1
1 467 . 11 1 1 A 43 43 TYR HA H 43 3.460 4.340 -0.880 1
1 474 . 11 1 1 A 43 43 TYR CA C 43 64.100 60.549 3.551 1
1 475 . 11 1 1 A 43 43 TYR CB C 43 38.300 38.345 -0.045 1
1 478 . 11 1 1 A 43 43 TYR N N 43 113.500 120.990 -7.490 1
1 479 . 11 1 1 A 44 44 TYR H H 44 9.770 8.226 1.544 1
1 480 . 11 1 1 A 44 44 TYR HA H 44 3.990 4.552 -0.562 1
1 487 . 11 1 1 A 44 44 TYR CA C 44 61.900 62.018 -0.118 1
1 488 . 11 1 1 A 44 44 TYR CB C 44 38.800 38.935 -0.135 1
1 491 . 11 1 1 A 44 44 TYR N N 44 119.800 120.460 -0.660 1
1 492 . 11 1 1 A 45 45 HIS H H 45 6.380 8.587 -2.207 1
1 493 . 11 1 1 A 45 45 HIS HA H 45 3.770 4.317 -0.547 1
1 498 . 11 1 1 A 45 45 HIS CA C 45 58.500 59.666 -1.166 1
1 499 . 11 1 1 A 45 45 HIS CB C 45 31.600 30.731 0.869 1
1 502 . 11 1 1 A 45 45 HIS N N 45 114.500 117.836 -3.336 1
1 503 . 11 1 1 A 46 46 LEU H H 46 8.360 8.615 -0.255 1
1 504 . 11 1 1 A 46 46 LEU HA H 46 3.660 3.243 0.417 1
1 514 . 11 1 1 A 46 46 LEU CA C 46 57.100 57.531 -0.431 1
1 515 . 11 1 1 A 46 46 LEU CB C 46 40.800 41.415 -0.615 1
1 519 . 11 1 1 A 46 46 LEU N N 46 121.100 120.527 0.573 1
1 520 . 11 1 1 A 47 47 GLY H H 47 8.440 8.164 0.276 1
1 521 . 11 1 1 A 47 47 GLY HA2 H 47 3.350 3.366 -0.016 1
1 522 . 11 1 1 A 47 47 GLY HA3 H 47 3.530 3.680 -0.150 1
1 523 . 11 1 1 A 47 47 GLY CA C 47 47.200 46.888 0.312 1
1 524 . 11 1 1 A 47 47 GLY N N 47 106.500 106.890 -0.390 1
1 525 . 11 1 1 A 48 48 LYS H H 48 7.970 7.735 0.235 1
1 526 . 11 1 1 A 48 48 LYS HA H 48 3.800 4.034 -0.234 1
1 535 . 11 1 1 A 48 48 LYS CA C 48 58.200 59.360 -1.160 1
1 536 . 11 1 1 A 48 48 LYS CB C 48 31.600 32.229 -0.629 1
1 540 . 11 1 1 A 48 48 LYS N N 48 120.500 121.925 -1.425 1
1 541 . 11 1 1 A 49 49 LEU H H 49 7.800 7.493 0.307 1
1 542 . 11 1 1 A 49 49 LEU HA H 49 4.170 3.863 0.307 1
1 552 . 11 1 1 A 49 49 LEU CA C 49 57.500 57.422 0.078 1
1 553 . 11 1 1 A 49 49 LEU CB C 49 41.000 41.457 -0.457 1
1 557 . 11 1 1 A 49 49 LEU N N 49 124.000 120.598 3.402 1
1 558 . 11 1 1 A 50 50 TYR H H 50 8.610 8.025 0.585 1
1 559 . 11 1 1 A 50 50 TYR HA H 50 4.420 4.277 0.143 1
1 566 . 11 1 1 A 50 50 TYR CA C 50 59.600 60.807 -1.207 1
1 567 . 11 1 1 A 50 50 TYR CB C 50 35.600 37.905 -2.305 1
1 570 . 11 1 1 A 50 50 TYR N N 50 119.000 118.793 0.207 1
1 571 . 11 1 1 A 51 51 GLU H H 51 8.410 8.520 -0.110 1
1 572 . 11 1 1 A 51 51 GLU HA H 51 3.760 3.914 -0.154 1
1 577 . 11 1 1 A 51 51 GLU CA C 51 61.600 59.920 1.680 1
1 578 . 11 1 1 A 51 51 GLU CB C 51 29.800 29.271 0.529 1
1 580 . 11 1 1 A 51 51 GLU N N 51 118.600 118.217 0.383 1
1 581 . 11 1 1 A 52 52 ARG H H 52 7.910 7.768 0.142 1
1 582 . 11 1 1 A 52 52 ARG HA H 52 4.150 4.138 0.012 1
1 589 . 11 1 1 A 52 52 ARG CA C 52 58.600 58.768 -0.168 1
1 590 . 11 1 1 A 52 52 ARG CB C 52 29.600 30.029 -0.429 1
1 593 . 11 1 1 A 52 52 ARG N N 52 122.200 120.466 1.734 1
1 594 . 11 1 1 A 53 53 LEU H H 53 7.740 7.702 0.038 1
1 595 . 11 1 1 A 53 53 LEU HA H 53 4.400 4.368 0.032 1
1 605 . 11 1 1 A 53 53 LEU CA C 53 54.100 54.759 -0.659 1
1 606 . 11 1 1 A 53 53 LEU CB C 53 41.400 41.879 -0.479 1
1 610 . 11 1 1 A 53 53 LEU N N 53 119.400 117.783 1.617 1
1 611 . 11 1 1 A 54 54 ASP H H 54 8.090 7.965 0.125 1
1 612 . 11 1 1 A 54 54 ASP HA H 54 4.410 4.248 0.162 1
1 615 . 11 1 1 A 54 54 ASP CA C 54 55.500 55.542 -0.042 1
1 616 . 11 1 1 A 54 54 ASP CB C 54 38.900 40.631 -1.731 1
1 617 . 11 1 1 A 54 54 ASP N N 54 116.300 118.270 -1.970 1
1 618 . 11 1 1 A 55 55 ARG H H 55 8.420 8.428 -0.008 1
1 619 . 11 1 1 A 55 55 ARG HA H 55 4.680 4.584 0.096 1
1 627 . 11 1 1 A 55 55 ARG CA C 55 54.000 54.795 -0.795 1
1 628 . 11 1 1 A 55 55 ARG CB C 55 29.800 28.453 1.347 1
1 631 . 11 1 1 A 55 55 ARG N N 55 120.800 119.633 1.167 1
1 633 . 11 1 1 A 56 56 THR H H 56 7.870 7.720 0.150 1
1 634 . 11 1 1 A 56 56 THR HA H 56 3.510 3.727 -0.217 1
1 639 . 11 1 1 A 56 56 THR CA C 56 67.500 67.401 0.099 1
1 640 . 11 1 1 A 56 56 THR CB C 56 68.000 68.704 -0.704 1
1 642 . 11 1 1 A 56 56 THR N N 56 117.300 114.966 2.334 1
1 643 . 11 1 1 A 57 57 ASP H H 57 8.450 8.309 0.141 1
1 644 . 11 1 1 A 57 57 ASP HA H 57 4.260 4.340 -0.080 1
1 647 . 11 1 1 A 57 57 ASP CA C 57 57.900 57.768 0.132 1
1 648 . 11 1 1 A 57 57 ASP CB C 57 39.100 41.475 -2.375 1
1 649 . 11 1 1 A 57 57 ASP N N 57 120.300 121.433 -1.133 1
1 650 . 11 1 1 A 58 58 ASP H H 58 7.540 7.917 -0.377 1
1 651 . 11 1 1 A 58 58 ASP HA H 58 4.170 4.124 0.046 1
1 654 . 11 1 1 A 58 58 ASP CA C 58 56.900 56.888 0.012 1
1 655 . 11 1 1 A 58 58 ASP CB C 58 38.400 39.665 -1.265 1
1 656 . 11 1 1 A 58 58 ASP N N 58 120.200 118.733 1.467 1
1 657 . 11 1 1 A 59 59 ALA H H 59 8.110 7.793 0.317 1
1 658 . 11 1 1 A 59 59 ALA HA H 59 3.760 3.966 -0.206 1
1 662 . 11 1 1 A 59 59 ALA CA C 59 56.000 54.981 1.019 1
1 663 . 11 1 1 A 59 59 ALA CB C 59 19.200 18.288 0.912 1
1 664 . 11 1 1 A 59 59 ALA N N 59 124.700 122.155 2.545 1
1 665 . 11 1 1 A 60 60 ILE H H 60 8.230 8.251 -0.021 1
1 666 . 11 1 1 A 60 60 ILE HA H 60 3.520 3.839 -0.319 1
1 676 . 11 1 1 A 60 60 ILE CA C 60 66.800 65.551 1.249 1
1 677 . 11 1 1 A 60 60 ILE CB C 60 38.400 37.794 0.606 1
1 681 . 11 1 1 A 60 60 ILE N N 60 117.600 118.213 -0.613 1
1 682 . 11 1 1 A 61 61 ASP H H 61 7.750 8.236 -0.486 1
1 683 . 11 1 1 A 61 61 ASP HA H 61 4.440 4.291 0.149 1
1 686 . 11 1 1 A 61 61 ASP CA C 61 57.100 57.422 -0.322 1
1 687 . 11 1 1 A 61 61 ASP CB C 61 40.500 41.424 -0.924 1
1 688 . 11 1 1 A 61 61 ASP N N 61 118.300 120.443 -2.143 1
1 689 . 11 1 1 A 62 62 THR H H 62 8.040 7.864 0.176 1
1 690 . 11 1 1 A 62 62 THR HA H 62 4.070 4.054 0.016 1
1 695 . 11 1 1 A 62 62 THR CA C 62 68.000 66.613 1.387 1
1 696 . 11 1 1 A 62 62 THR CB C 62 68.600 68.586 0.014 1
1 698 . 11 1 1 A 62 62 THR N N 62 119.800 115.778 4.022 1
1 699 . 11 1 1 A 63 63 TYR H H 63 8.970 8.105 0.865 1
1 700 . 11 1 1 A 63 63 TYR HA H 63 4.480 4.482 -0.002 1
1 707 . 11 1 1 A 63 63 TYR CA C 63 59.200 60.869 -1.669 1
1 708 . 11 1 1 A 63 63 TYR CB C 63 37.700 37.328 0.372 1
1 711 . 11 1 1 A 63 63 TYR N N 63 121.700 120.850 0.850 1
1 712 . 11 1 1 A 64 64 ALA H H 64 8.690 8.508 0.182 1
1 713 . 11 1 1 A 64 64 ALA HA H 64 4.000 4.094 -0.094 1
1 717 . 11 1 1 A 64 64 ALA CA C 64 55.500 55.393 0.107 1
1 718 . 11 1 1 A 64 64 ALA CB C 64 17.800 18.134 -0.334 1
1 719 . 11 1 1 A 64 64 ALA N N 64 119.400 122.529 -3.129 1
1 720 . 11 1 1 A 65 65 GLN H H 65 8.100 8.062 0.038 1
1 721 . 11 1 1 A 65 65 GLN HA H 65 4.010 3.982 0.028 1
1 728 . 11 1 1 A 65 65 GLN CA C 65 58.600 59.050 -0.450 1
1 729 . 11 1 1 A 65 65 GLN CB C 65 28.500 28.167 0.333 1
1 731 . 11 1 1 A 65 65 GLN N N 65 119.600 118.356 1.244 1
1 733 . 11 1 1 A 66 66 GLY H H 66 8.430 8.403 0.027 1
1 734 . 11 1 1 A 66 66 GLY HA2 H 66 3.080 3.038 0.042 1
1 735 . 11 1 1 A 66 66 GLY HA3 H 66 2.520 3.540 -1.020 1
1 736 . 11 1 1 A 66 66 GLY CA C 66 46.800 47.120 -0.320 1
1 737 . 11 1 1 A 66 66 GLY N N 66 108.200 106.960 1.240 1
1 738 . 11 1 1 A 67 67 ILE H H 67 8.570 8.299 0.271 1
1 739 . 11 1 1 A 67 67 ILE HA H 67 3.320 3.793 -0.473 1
1 749 . 11 1 1 A 67 67 ILE CA C 67 65.900 64.255 1.645 1
1 750 . 11 1 1 A 67 67 ILE CB C 67 38.400 37.550 0.850 1
1 754 . 11 1 1 A 67 67 ILE N N 67 123.500 122.495 1.005 1
1 755 . 11 1 1 A 68 68 GLU H H 68 7.030 7.549 -0.519 1
1 756 . 11 1 1 A 68 68 GLU HA H 68 3.960 4.023 -0.063 1
1 761 . 11 1 1 A 68 68 GLU CA C 68 58.700 59.364 -0.664 1
1 762 . 11 1 1 A 68 68 GLU CB C 68 28.500 29.345 -0.845 1
1 764 . 11 1 1 A 68 68 GLU N N 68 116.500 119.976 -3.476 1
1 765 . 11 1 1 A 69 69 VAL H H 69 7.440 7.442 -0.002 1
1 766 . 11 1 1 A 69 69 VAL HA H 69 3.740 3.807 -0.067 1
1 774 . 11 1 1 A 69 69 VAL CA C 69 65.700 64.495 1.205 1
1 775 . 11 1 1 A 69 69 VAL CB C 69 32.000 31.164 0.836 1
1 778 . 11 1 1 A 69 69 VAL N N 69 119.500 116.307 3.193 1
1 779 . 11 1 1 A 70 70 ALA H H 70 9.290 8.155 1.135 1
1 780 . 11 1 1 A 70 70 ALA HA H 70 3.820 3.954 -0.134 1
1 784 . 11 1 1 A 70 70 ALA CA C 70 54.400 55.413 -1.013 1
1 785 . 11 1 1 A 70 70 ALA CB C 70 18.000 17.958 0.042 1
1 786 . 11 1 1 A 70 70 ALA N N 70 122.500 124.099 -1.599 1
1 787 . 11 1 1 A 71 71 ARG H H 71 8.280 7.751 0.529 1
1 788 . 11 1 1 A 71 71 ARG HA H 71 3.870 4.073 -0.203 1
1 796 . 11 1 1 A 71 71 ARG CA C 71 59.500 58.521 0.979 1
1 797 . 11 1 1 A 71 71 ARG CB C 71 30.000 29.887 0.113 1
1 800 . 11 1 1 A 71 71 ARG N N 71 116.900 116.630 0.270 1
1 802 . 11 1 1 A 72 72 GLU H H 72 7.390 8.122 -0.732 1
1 803 . 11 1 1 A 72 72 GLU HA H 72 4.300 4.218 0.082 1
1 808 . 11 1 1 A 72 72 GLU CA C 72 57.700 58.691 -0.991 1
1 809 . 11 1 1 A 72 72 GLU CB C 72 30.500 30.449 0.051 1
1 811 . 11 1 1 A 72 72 GLU N N 72 116.800 118.943 -2.143 1
1 812 . 11 1 1 A 73 73 GLU H H 73 8.490 8.347 0.143 1
1 813 . 11 1 1 A 73 73 GLU HA H 73 4.550 4.326 0.224 1
1 818 . 11 1 1 A 73 73 GLU CA C 73 55.900 58.290 -2.390 1
1 819 . 11 1 1 A 73 73 GLU CB C 73 30.800 30.241 0.559 1
1 821 . 11 1 1 A 73 73 GLU N N 73 115.000 118.459 -3.459 1
1 822 . 11 1 1 A 74 74 GLY H H 74 8.070 7.741 0.329 1
1 823 . 11 1 1 A 74 74 GLY HA2 H 74 4.450 4.005 0.445 1
1 824 . 11 1 1 A 74 74 GLY HA3 H 74 3.830 4.012 -0.182 1
1 825 . 11 1 1 A 74 74 GLY CA C 74 44.600 44.229 0.371 1
1 826 . 11 1 1 A 74 74 GLY N N 74 108.100 109.288 -1.188 1
1 827 . 11 1 1 A 75 75 THR H H 75 8.760 8.317 0.443 1
1 828 . 11 1 1 A 75 75 THR HA H 75 4.670 4.812 -0.142 1
1 833 . 11 1 1 A 75 75 THR CA C 75 59.000 60.103 -1.103 1
1 834 . 11 1 1 A 75 75 THR CB C 75 70.900 70.517 0.383 1
1 836 . 11 1 1 A 75 75 THR N N 75 111.400 114.923 -3.523 1
1 837 . 11 1 1 A 76 76 GLN H H 76 8.710 8.737 -0.027 1
1 838 . 11 1 1 A 76 76 GLN HA H 76 3.940 3.958 -0.018 1
1 845 . 11 1 1 A 76 76 GLN CA C 76 58.700 59.310 -0.610 1
1 846 . 11 1 1 A 76 76 GLN CB C 76 27.900 28.263 -0.363 1
1 848 . 11 1 1 A 76 76 GLN N N 76 123.100 125.424 -2.324 1
1 850 . 11 1 1 A 77 77 LYS H H 77 8.240 8.098 0.142 1
1 851 . 11 1 1 A 77 77 LYS HA H 77 4.000 3.989 0.011 1
1 860 . 11 1 1 A 77 77 LYS CA C 77 59.200 59.621 -0.421 1
1 861 . 11 1 1 A 77 77 LYS CB C 77 31.900 32.227 -0.327 1
1 865 . 11 1 1 A 77 77 LYS N N 77 121.000 118.740 2.260 1
1 866 . 11 1 1 A 78 78 ASP H H 78 7.390 8.137 -0.747 1
1 867 . 11 1 1 A 78 78 ASP HA H 78 4.170 4.374 -0.204 1
1 870 . 11 1 1 A 78 78 ASP CA C 78 57.000 57.078 -0.078 1
1 871 . 11 1 1 A 78 78 ASP CB C 78 41.400 40.568 0.832 1
1 872 . 11 1 1 A 78 78 ASP N N 78 117.800 119.705 -1.905 1
1 873 . 11 1 1 A 79 79 LEU H H 79 7.690 7.843 -0.153 1
1 874 . 11 1 1 A 79 79 LEU HA H 79 3.770 4.065 -0.295 1
1 884 . 11 1 1 A 79 79 LEU CA C 79 58.100 57.832 0.268 1
1 885 . 11 1 1 A 79 79 LEU CB C 79 42.100 41.358 0.742 1
1 889 . 11 1 1 A 79 79 LEU N N 79 118.400 122.311 -3.911 1
1 890 . 11 1 1 A 80 80 SER H H 80 8.400 8.291 0.109 1
1 891 . 11 1 1 A 80 80 SER HA H 80 4.170 4.078 0.092 1
1 894 . 11 1 1 A 80 80 SER CA C 80 61.500 61.408 0.092 1
1 895 . 11 1 1 A 80 80 SER CB C 80 62.500 62.819 -0.319 1
1 896 . 11 1 1 A 80 80 SER N N 80 114.000 114.678 -0.678 1
1 897 . 11 1 1 A 81 81 GLU H H 81 7.930 7.341 0.589 1
1 898 . 11 1 1 A 81 81 GLU HA H 81 4.030 4.019 0.011 1
1 903 . 11 1 1 A 81 81 GLU CA C 81 59.000 58.962 0.038 1
1 904 . 11 1 1 A 81 81 GLU CB C 81 29.000 29.651 -0.651 1
1 906 . 11 1 1 A 81 81 GLU N N 81 121.000 121.969 -0.969 1
1 907 . 11 1 1 A 82 82 LEU H H 82 7.870 8.460 -0.590 1
1 908 . 11 1 1 A 82 82 LEU HA H 82 3.890 3.950 -0.060 1
1 918 . 11 1 1 A 82 82 LEU CA C 82 57.900 58.035 -0.135 1
1 919 . 11 1 1 A 82 82 LEU CB C 82 43.900 41.177 2.723 1
1 923 . 11 1 1 A 82 82 LEU N N 82 120.900 120.707 0.193 1
1 924 . 11 1 1 A 83 83 GLN H H 83 8.520 8.103 0.417 1
1 925 . 11 1 1 A 83 83 GLN HA H 83 3.900 3.921 -0.021 1
1 932 . 11 1 1 A 83 83 GLN CA C 83 59.200 59.074 0.126 1
1 933 . 11 1 1 A 83 83 GLN CB C 83 28.300 28.619 -0.319 1
1 935 . 11 1 1 A 83 83 GLN N N 83 118.300 117.834 0.466 1
1 937 . 11 1 1 A 84 84 ASP H H 84 8.140 8.310 -0.170 1
1 938 . 11 1 1 A 84 84 ASP HA H 84 4.340 4.301 0.039 1
1 941 . 11 1 1 A 84 84 ASP CA C 84 57.100 57.811 -0.711 1
1 942 . 11 1 1 A 84 84 ASP CB C 84 41.000 41.759 -0.759 1
1 943 . 11 1 1 A 84 84 ASP N N 84 119.700 119.678 0.022 1
1 944 . 11 1 1 A 85 85 ALA H H 85 7.740 8.250 -0.510 1
1 945 . 11 1 1 A 85 85 ALA HA H 85 3.810 3.909 -0.099 1
1 949 . 11 1 1 A 85 85 ALA CA C 85 54.600 54.771 -0.171 1
1 950 . 11 1 1 A 85 85 ALA CB C 85 16.200 17.915 -1.715 1
1 951 . 11 1 1 A 85 85 ALA N N 85 121.600 121.519 0.081 1
1 952 . 11 1 1 A 86 86 LYS H H 86 8.070 7.579 0.491 1
1 953 . 11 1 1 A 86 86 LYS HA H 86 3.810 4.171 -0.361 1
1 962 . 11 1 1 A 86 86 LYS CA C 86 60.600 59.177 1.423 1
1 963 . 11 1 1 A 86 86 LYS CB C 86 33.300 32.040 1.260 1
1 967 . 11 1 1 A 86 86 LYS N N 86 120.200 116.454 3.746 1
1 968 . 11 1 1 A 87 87 LEU H H 87 7.780 8.177 -0.397 1
1 969 . 11 1 1 A 87 87 LEU HA H 87 4.160 4.018 0.142 1
1 979 . 11 1 1 A 87 87 LEU CA C 87 57.500 58.259 -0.759 1
1 980 . 11 1 1 A 87 87 LEU CB C 87 41.900 41.657 0.243 1
1 984 . 11 1 1 A 87 87 LEU N N 87 118.400 121.582 -3.182 1
1 985 . 11 1 1 A 88 88 LYS H H 88 7.900 8.105 -0.205 1
1 986 . 11 1 1 A 88 88 LYS HA H 88 3.960 4.074 -0.114 1
1 995 . 11 1 1 A 88 88 LYS CA C 88 59.200 58.888 0.312 1
1 996 . 11 1 1 A 88 88 LYS CB C 88 32.000 32.298 -0.298 1
1 1000 . 11 1 1 A 88 88 LYS N N 88 118.700 117.266 1.434 1
1 1001 . 11 1 1 A 89 89 ALA H H 89 8.000 8.191 -0.191 1
1 1002 . 11 1 1 A 89 89 ALA HA H 89 4.150 4.116 0.034 1
1 1006 . 11 1 1 A 89 89 ALA CA C 89 54.500 55.219 -0.719 1
1 1007 . 11 1 1 A 89 89 ALA CB C 89 17.800 18.299 -0.499 1
1 1008 . 11 1 1 A 89 89 ALA N N 89 122.400 121.865 0.535 1
1 1009 . 11 1 1 A 90 90 GLU H H 90 8.300 8.414 -0.114 1
1 1010 . 11 1 1 A 90 90 GLU HA H 90 3.930 4.163 -0.233 1
1 1015 . 11 1 1 A 90 90 GLU CA C 90 58.000 58.849 -0.849 1
1 1016 . 11 1 1 A 90 90 GLU CB C 90 29.700 29.455 0.245 1
1 1018 . 11 1 1 A 90 90 GLU N N 90 116.700 117.534 -0.834 1
1 1019 . 11 1 1 A 91 91 GLY H H 91 7.710 7.620 0.090 1
1 1020 . 11 1 1 A 91 91 GLY HA2 H 91 4.070 4.091 -0.021 1
1 1021 . 11 1 1 A 91 91 GLY HA3 H 91 3.870 4.175 -0.305 1
1 1022 . 11 1 1 A 91 91 GLY CA C 91 45.500 45.334 0.166 1
1 1023 . 11 1 1 A 91 91 GLY N N 91 106.000 108.314 -2.314 1
1 1024 . 11 1 1 A 92 92 LEU H H 92 7.640 7.751 -0.111 1
1 1025 . 11 1 1 A 92 92 LEU HA H 92 4.270 4.049 0.221 1
1 1035 . 11 1 1 A 92 92 LEU CA C 92 55.200 58.210 -3.010 1
1 1036 . 11 1 1 A 92 92 LEU CB C 92 42.100 41.916 0.184 1
1 1040 . 11 1 1 A 92 92 LEU N N 92 121.200 121.401 -0.201 1
1 1041 . 11 1 1 A 93 93 GLU H H 93 8.290 7.918 0.372 1
1 1042 . 11 1 1 A 93 93 GLU HA H 93 4.130 4.937 -0.807 1
1 1047 . 11 1 1 A 93 93 GLU CA C 93 56.700 54.464 2.236 1
1 1048 . 11 1 1 A 93 93 GLU CB C 93 29.700 30.979 -1.279 1
1 1050 . 11 1 1 A 93 93 GLU N N 93 120.200 114.650 5.550 1
1 1051 . 11 1 1 A 94 94 HIS H H 94 8.260 8.381 -0.121 1
1 1052 . 11 1 1 A 94 94 HIS HA H 94 4.560 5.020 -0.460 1
1 1055 . 11 1 1 A 94 94 HIS CA C 94 55.400 53.746 1.654 1
1 1056 . 11 1 1 A 94 94 HIS CB C 94 29.700 29.487 0.213 1
1 1057 . 11 1 1 A 94 94 HIS N N 94 118.900 117.034 1.866 1
1 1058 . 11 1 1 A 95 95 HIS H H 95 8.170 8.260 -0.090 1
1 1059 . 11 1 1 A 95 95 HIS HA H 95 4.410 4.133 0.277 1
1 1062 . 11 1 1 A 95 95 HIS CA C 95 57.000 57.763 -0.763 1
1 1063 . 11 1 1 A 95 95 HIS CB C 95 30.000 30.561 -0.561 1
1 9 . 12 1 1 A 2 2 ASP H H 2 8.560 8.012 0.548 1
1 10 . 12 1 1 A 2 2 ASP HA H 2 4.850 4.999 -0.149 1
1 13 . 12 1 1 A 2 2 ASP CA C 2 52.200 51.909 0.291 1
1 14 . 12 1 1 A 2 2 ASP CB C 2 40.900 41.018 -0.118 1
1 15 . 12 1 1 A 2 2 ASP N N 2 123.000 119.615 3.385 1
1 16 . 12 1 1 A 3 3 PRO HA H 3 4.380 4.363 0.017 1
1 23 . 12 1 1 A 3 3 PRO CA C 3 63.500 64.360 -0.860 1
1 24 . 12 1 1 A 3 3 PRO CB C 3 32.100 31.853 0.247 1
1 27 . 12 1 1 A 4 4 GLU H H 4 8.410 8.616 -0.206 1
1 28 . 12 1 1 A 4 4 GLU HA H 4 4.250 4.052 0.198 1
1 33 . 12 1 1 A 4 4 GLU CA C 4 55.900 59.429 -3.529 1
1 34 . 12 1 1 A 4 4 GLU CB C 4 30.100 29.658 0.442 1
1 36 . 12 1 1 A 4 4 GLU N N 4 118.300 117.646 0.654 1
1 37 . 12 1 1 A 5 5 ASP H H 5 8.030 7.555 0.475 1
1 38 . 12 1 1 A 5 5 ASP HA H 5 4.730 4.711 0.019 1
1 41 . 12 1 1 A 5 5 ASP CA C 5 52.600 52.665 -0.065 1
1 42 . 12 1 1 A 5 5 ASP CB C 5 41.700 40.747 0.953 1
1 43 . 12 1 1 A 5 5 ASP N N 5 123.700 120.589 3.111 1
1 44 . 12 1 1 A 6 6 PRO HA H 6 3.940 4.341 -0.401 1
1 51 . 12 1 1 A 6 6 PRO CA C 6 64.900 65.198 -0.298 1
1 52 . 12 1 1 A 6 6 PRO CB C 6 31.000 31.584 -0.584 1
1 55 . 12 1 1 A 7 7 PHE H H 7 8.130 7.649 0.481 1
1 56 . 12 1 1 A 7 7 PHE HA H 7 4.220 4.148 0.072 1
1 64 . 12 1 1 A 7 7 PHE CA C 7 60.800 61.589 -0.789 1
1 65 . 12 1 1 A 7 7 PHE CB C 7 38.300 39.372 -1.072 1
1 69 . 12 1 1 A 7 7 PHE N N 7 117.200 118.725 -1.525 1
1 70 . 12 1 1 A 8 8 THR H H 8 7.830 8.017 -0.187 1
1 71 . 12 1 1 A 8 8 THR HA H 8 3.710 3.856 -0.146 1
1 76 . 12 1 1 A 8 8 THR CA C 8 66.200 66.939 -0.739 1
1 77 . 12 1 1 A 8 8 THR CB C 8 68.300 68.719 -0.419 1
1 79 . 12 1 1 A 8 8 THR N N 8 115.700 115.470 0.230 1
1 80 . 12 1 1 A 9 9 ARG H H 9 7.300 8.285 -0.985 1
1 81 . 12 1 1 A 9 9 ARG HA H 9 3.840 3.996 -0.156 1
1 89 . 12 1 1 A 9 9 ARG CA C 9 59.700 58.809 0.891 1
1 90 . 12 1 1 A 9 9 ARG CB C 9 30.400 30.159 0.241 1
1 93 . 12 1 1 A 9 9 ARG N N 9 121.400 120.149 1.251 1
1 95 . 12 1 1 A 10 10 TYR H H 10 8.480 8.084 0.396 1
1 96 . 12 1 1 A 10 10 TYR HA H 10 3.800 4.057 -0.257 1
1 103 . 12 1 1 A 10 10 TYR CA C 10 61.400 61.602 -0.202 1
1 104 . 12 1 1 A 10 10 TYR CB C 10 38.300 38.586 -0.286 1
1 107 . 12 1 1 A 10 10 TYR N N 10 121.700 121.694 0.006 1
1 108 . 12 1 1 A 11 11 ALA H H 11 8.500 8.303 0.197 1
1 109 . 12 1 1 A 11 11 ALA HA H 11 3.700 3.733 -0.033 1
1 113 . 12 1 1 A 11 11 ALA CA C 11 54.400 54.938 -0.538 1
1 114 . 12 1 1 A 11 11 ALA CB C 11 17.300 17.706 -0.406 1
1 115 . 12 1 1 A 11 11 ALA N N 11 121.700 121.343 0.357 1
1 116 . 12 1 1 A 12 12 LEU H H 12 7.690 8.162 -0.472 1
1 117 . 12 1 1 A 12 12 LEU HA H 12 3.920 3.869 0.051 1
1 127 . 12 1 1 A 12 12 LEU CA C 12 57.100 57.784 -0.684 1
1 128 . 12 1 1 A 12 12 LEU CB C 12 41.500 41.208 0.292 1
1 132 . 12 1 1 A 12 12 LEU N N 12 120.900 118.461 2.439 1
1 133 . 12 1 1 A 13 13 ALA H H 13 8.010 7.903 0.107 1
1 134 . 12 1 1 A 13 13 ALA HA H 13 3.500 3.851 -0.351 1
1 138 . 12 1 1 A 13 13 ALA CA C 13 55.400 55.498 -0.098 1
1 139 . 12 1 1 A 13 13 ALA CB C 13 17.400 17.415 -0.015 1
1 140 . 12 1 1 A 13 13 ALA N N 13 123.000 121.317 1.683 1
1 141 . 12 1 1 A 14 14 GLN H H 14 7.660 7.543 0.117 1
1 142 . 12 1 1 A 14 14 GLN HA H 14 3.910 4.118 -0.208 1
1 149 . 12 1 1 A 14 14 GLN CA C 14 58.200 58.632 -0.432 1
1 150 . 12 1 1 A 14 14 GLN CB C 14 27.700 28.283 -0.583 1
1 152 . 12 1 1 A 14 14 GLN N N 14 114.000 116.931 -2.931 1
1 154 . 12 1 1 A 15 15 GLU H H 15 7.900 7.752 0.148 1
1 155 . 12 1 1 A 15 15 GLU HA H 15 3.900 3.818 0.082 1
1 160 . 12 1 1 A 15 15 GLU CA C 15 58.800 59.059 -0.259 1
1 161 . 12 1 1 A 15 15 GLU CB C 15 28.600 29.258 -0.658 1
1 163 . 12 1 1 A 15 15 GLU N N 15 122.400 121.522 0.878 1
1 164 . 12 1 1 A 16 16 HIS H H 16 8.220 7.956 0.264 1
1 165 . 12 1 1 A 16 16 HIS HA H 16 4.520 4.209 0.311 1
1 170 . 12 1 1 A 16 16 HIS CA C 16 59.700 58.690 1.010 1
1 171 . 12 1 1 A 16 16 HIS CB C 16 29.600 29.959 -0.359 1
1 174 . 12 1 1 A 16 16 HIS N N 16 119.100 118.595 0.505 1
1 175 . 12 1 1 A 17 17 LEU H H 17 8.090 8.292 -0.202 1
1 176 . 12 1 1 A 17 17 LEU HA H 17 3.870 3.829 0.041 1
1 186 . 12 1 1 A 17 17 LEU CA C 17 57.900 58.069 -0.169 1
1 187 . 12 1 1 A 17 17 LEU CB C 17 41.400 41.566 -0.166 1
1 191 . 12 1 1 A 17 17 LEU N N 17 120.500 119.782 0.718 1
1 192 . 12 1 1 A 18 18 LYS H H 18 7.960 7.872 0.088 1
1 193 . 12 1 1 A 18 18 LYS HA H 18 4.030 4.142 -0.112 1
1 202 . 12 1 1 A 18 18 LYS CA C 18 58.400 58.621 -0.221 1
1 203 . 12 1 1 A 18 18 LYS CB C 18 31.800 32.288 -0.488 1
1 207 . 12 1 1 A 18 18 LYS N N 18 121.000 117.395 3.605 1
1 208 . 12 1 1 A 19 19 HIS H H 19 7.410 7.539 -0.129 1
1 209 . 12 1 1 A 19 19 HIS HA H 19 4.720 4.602 0.118 1
1 213 . 12 1 1 A 19 19 HIS CA C 19 54.700 55.588 -0.888 1
1 214 . 12 1 1 A 19 19 HIS CB C 19 28.500 29.888 -1.388 1
1 216 . 12 1 1 A 19 19 HIS N N 19 115.800 115.869 -0.069 1
1 217 . 12 1 1 A 20 20 ASP H H 20 8.010 8.168 -0.158 1
1 218 . 12 1 1 A 20 20 ASP HA H 20 4.370 4.190 0.180 1
1 221 . 12 1 1 A 20 20 ASP CA C 20 55.600 55.599 0.001 1
1 222 . 12 1 1 A 20 20 ASP CB C 20 39.600 40.666 -1.066 1
1 223 . 12 1 1 A 20 20 ASP N N 20 115.900 118.299 -2.399 1
1 224 . 12 1 1 A 21 21 ASN H H 21 8.450 8.336 0.114 1
1 225 . 12 1 1 A 21 21 ASN HA H 21 5.130 5.034 0.096 1
1 230 . 12 1 1 A 21 21 ASN CA C 21 50.600 51.928 -1.328 1
1 231 . 12 1 1 A 21 21 ASN CB C 21 37.000 36.482 0.518 1
1 232 . 12 1 1 A 21 21 ASN N N 21 118.700 118.501 0.199 1
1 234 . 12 1 1 A 22 22 ALA H H 22 8.010 8.156 -0.146 1
1 235 . 12 1 1 A 22 22 ALA HA H 22 3.840 4.040 -0.200 1
1 239 . 12 1 1 A 22 22 ALA CA C 22 55.300 55.247 0.053 1
1 240 . 12 1 1 A 22 22 ALA CB C 22 18.300 18.488 -0.188 1
1 241 . 12 1 1 A 22 22 ALA N N 22 123.300 125.960 -2.660 1
1 242 . 12 1 1 A 23 23 SER H H 23 8.670 8.152 0.518 1
1 243 . 12 1 1 A 23 23 SER HA H 23 4.070 4.185 -0.115 1
1 246 . 12 1 1 A 23 23 SER CA C 23 61.800 60.903 0.897 1
1 247 . 12 1 1 A 23 23 SER CB C 23 61.900 62.850 -0.950 1
1 248 . 12 1 1 A 23 23 SER N N 23 112.500 113.369 -0.869 1
1 249 . 12 1 1 A 24 24 ARG H H 24 7.230 7.939 -0.709 1
1 250 . 12 1 1 A 24 24 ARG HA H 24 3.960 3.897 0.063 1
1 257 . 12 1 1 A 24 24 ARG CA C 24 57.000 59.850 -2.850 1
1 258 . 12 1 1 A 24 24 ARG CB C 24 29.100 29.905 -0.805 1
1 261 . 12 1 1 A 24 24 ARG N N 24 122.300 121.601 0.699 1
1 262 . 12 1 1 A 25 25 ALA H H 25 7.340 7.838 -0.498 1
1 263 . 12 1 1 A 25 25 ALA HA H 25 3.570 3.778 -0.208 1
1 267 . 12 1 1 A 25 25 ALA CA C 25 55.300 55.070 0.230 1
1 268 . 12 1 1 A 25 25 ALA CB C 25 18.700 18.721 -0.021 1
1 269 . 12 1 1 A 25 25 ALA N N 25 120.200 121.906 -1.706 1
1 270 . 12 1 1 A 26 26 LEU H H 26 8.420 8.319 0.101 1
1 271 . 12 1 1 A 26 26 LEU HA H 26 3.800 4.233 -0.433 1
1 281 . 12 1 1 A 26 26 LEU CA C 26 58.300 57.904 0.396 1
1 282 . 12 1 1 A 26 26 LEU CB C 26 41.800 41.189 0.611 1
1 286 . 12 1 1 A 26 26 LEU N N 26 116.500 119.971 -3.471 1
1 287 . 12 1 1 A 27 27 ALA H H 27 7.190 8.191 -1.001 1
1 288 . 12 1 1 A 27 27 ALA HA H 27 4.120 4.012 0.108 1
1 292 . 12 1 1 A 27 27 ALA CA C 27 54.700 55.159 -0.459 1
1 293 . 12 1 1 A 27 27 ALA CB C 27 18.000 17.986 0.014 1
1 294 . 12 1 1 A 27 27 ALA N N 27 118.200 120.454 -2.254 1
1 295 . 12 1 1 A 28 28 LEU H H 28 7.500 7.641 -0.141 1
1 296 . 12 1 1 A 28 28 LEU HA H 28 4.070 3.819 0.251 1
1 306 . 12 1 1 A 28 28 LEU CA C 28 57.600 57.562 0.038 1
1 307 . 12 1 1 A 28 28 LEU CB C 28 43.100 42.089 1.011 1
1 311 . 12 1 1 A 28 28 LEU N N 28 118.300 118.386 -0.086 1
1 312 . 12 1 1 A 29 29 PHE H H 29 8.690 8.184 0.506 1
1 313 . 12 1 1 A 29 29 PHE HA H 29 4.630 4.464 0.166 1
1 321 . 12 1 1 A 29 29 PHE CA C 29 58.700 60.206 -1.506 1
1 322 . 12 1 1 A 29 29 PHE CB C 29 40.300 38.371 1.929 1
1 326 . 12 1 1 A 29 29 PHE N N 29 119.000 117.729 1.271 1
1 327 . 12 1 1 A 30 30 GLU H H 30 8.990 8.413 0.577 1
1 328 . 12 1 1 A 30 30 GLU HA H 30 3.790 3.846 -0.056 1
1 333 . 12 1 1 A 30 30 GLU CA C 30 60.100 60.075 0.025 1
1 334 . 12 1 1 A 30 30 GLU CB C 30 29.100 29.222 -0.122 1
1 336 . 12 1 1 A 30 30 GLU N N 30 117.400 119.147 -1.747 1
1 337 . 12 1 1 A 31 31 GLU H H 31 7.830 8.169 -0.339 1
1 338 . 12 1 1 A 31 31 GLU HA H 31 4.160 4.083 0.077 1
1 343 . 12 1 1 A 31 31 GLU CA C 31 58.800 59.119 -0.319 1
1 344 . 12 1 1 A 31 31 GLU CB C 31 29.900 29.419 0.481 1
1 346 . 12 1 1 A 31 31 GLU N N 31 119.500 119.915 -0.415 1
1 347 . 12 1 1 A 32 32 LEU H H 32 7.920 8.447 -0.527 1
1 348 . 12 1 1 A 32 32 LEU HA H 32 4.130 4.326 -0.196 1
1 358 . 12 1 1 A 32 32 LEU CA C 32 58.200 58.182 0.018 1
1 359 . 12 1 1 A 32 32 LEU CB C 32 43.000 41.817 1.183 1
1 363 . 12 1 1 A 32 32 LEU N N 32 122.000 120.271 1.729 1
1 364 . 12 1 1 A 33 33 VAL H H 33 7.460 7.780 -0.320 1
1 365 . 12 1 1 A 33 33 VAL HA H 33 3.590 3.363 0.227 1
1 373 . 12 1 1 A 33 33 VAL CA C 33 65.800 66.809 -1.009 1
1 374 . 12 1 1 A 33 33 VAL CB C 33 31.500 31.105 0.395 1
1 377 . 12 1 1 A 33 33 VAL N N 33 116.000 118.261 -2.261 1
1 378 . 12 1 1 A 34 34 GLU H H 34 7.210 8.149 -0.939 1
1 379 . 12 1 1 A 34 34 GLU HA H 34 4.130 4.171 -0.041 1
1 384 . 12 1 1 A 34 34 GLU CA C 34 58.500 58.831 -0.331 1
1 385 . 12 1 1 A 34 34 GLU CB C 34 29.900 29.071 0.829 1
1 387 . 12 1 1 A 34 34 GLU N N 34 117.400 119.373 -1.973 1
1 388 . 12 1 1 A 35 35 THR H H 35 9.100 7.666 1.434 1
1 389 . 12 1 1 A 35 35 THR HA H 35 4.180 4.311 -0.131 1
1 394 . 12 1 1 A 35 35 THR CA C 35 63.900 62.697 1.203 1
1 395 . 12 1 1 A 35 35 THR CB C 35 69.300 69.418 -0.118 1
1 397 . 12 1 1 A 35 35 THR N N 35 109.900 110.034 -0.134 1
1 398 . 12 1 1 A 36 36 ASP H H 36 8.630 7.975 0.655 1
1 399 . 12 1 1 A 36 36 ASP HA H 36 5.300 4.906 0.394 1
1 402 . 12 1 1 A 36 36 ASP CA C 36 52.700 51.695 1.005 1
1 403 . 12 1 1 A 36 36 ASP CB C 36 42.400 41.770 0.630 1
1 404 . 12 1 1 A 36 36 ASP N N 36 122.800 120.248 2.552 1
1 405 . 12 1 1 A 37 37 PRO HA H 37 4.560 4.667 -0.107 1
1 412 . 12 1 1 A 37 37 PRO CA C 37 64.400 64.163 0.237 1
1 413 . 12 1 1 A 37 37 PRO CB C 37 31.100 32.672 -1.572 1
1 416 . 12 1 1 A 38 38 ASP H H 38 8.630 8.151 0.479 1
1 417 . 12 1 1 A 38 38 ASP HA H 38 4.570 4.641 -0.071 1
1 420 . 12 1 1 A 38 38 ASP CA C 38 53.800 56.206 -2.406 1
1 421 . 12 1 1 A 38 38 ASP CB C 38 39.500 41.512 -2.012 1
1 422 . 12 1 1 A 38 38 ASP N N 38 113.700 117.663 -3.963 1
1 423 . 12 1 1 A 39 39 TYR H H 39 8.110 7.960 0.150 1
1 424 . 12 1 1 A 39 39 TYR HA H 39 4.540 4.615 -0.075 1
1 431 . 12 1 1 A 39 39 TYR CA C 39 58.500 56.768 1.732 1
1 432 . 12 1 1 A 39 39 TYR CB C 39 36.500 38.168 -1.668 1
1 435 . 12 1 1 A 39 39 TYR N N 39 123.700 121.452 2.248 1
1 436 . 12 1 1 A 40 40 VAL H H 40 7.880 7.908 -0.028 1
1 437 . 12 1 1 A 40 40 VAL HA H 40 3.770 3.825 -0.055 1
1 445 . 12 1 1 A 40 40 VAL CA C 40 65.000 66.379 -1.379 1
1 446 . 12 1 1 A 40 40 VAL CB C 40 32.500 31.541 0.959 1
1 449 . 12 1 1 A 40 40 VAL N N 40 128.100 125.928 2.172 1
1 450 . 12 1 1 A 41 41 GLY H H 41 7.530 7.805 -0.275 1
1 451 . 12 1 1 A 41 41 GLY HA2 H 41 3.410 3.134 0.276 1
1 452 . 12 1 1 A 41 41 GLY HA3 H 41 3.880 3.744 0.136 1
1 453 . 12 1 1 A 41 41 GLY CA C 41 46.400 46.765 -0.365 1
1 454 . 12 1 1 A 41 41 GLY N N 41 105.900 108.106 -2.206 1
1 455 . 12 1 1 A 42 42 THR H H 42 7.150 7.239 -0.089 1
1 456 . 12 1 1 A 42 42 THR HA H 42 3.580 4.309 -0.729 1
1 462 . 12 1 1 A 42 42 THR CA C 42 65.600 66.843 -1.243 1
1 463 . 12 1 1 A 42 42 THR CB C 42 68.900 68.493 0.407 1
1 465 . 12 1 1 A 42 42 THR N N 42 111.900 118.161 -6.261 1
1 466 . 12 1 1 A 43 43 TYR H H 43 7.040 8.524 -1.484 1
1 467 . 12 1 1 A 43 43 TYR HA H 43 3.460 4.313 -0.853 1
1 474 . 12 1 1 A 43 43 TYR CA C 43 64.100 60.391 3.709 1
1 475 . 12 1 1 A 43 43 TYR CB C 43 38.300 38.575 -0.275 1
1 478 . 12 1 1 A 43 43 TYR N N 43 113.500 120.749 -7.249 1
1 479 . 12 1 1 A 44 44 TYR H H 44 9.770 8.283 1.487 1
1 480 . 12 1 1 A 44 44 TYR HA H 44 3.990 4.472 -0.482 1
1 487 . 12 1 1 A 44 44 TYR CA C 44 61.900 62.327 -0.427 1
1 488 . 12 1 1 A 44 44 TYR CB C 44 38.800 38.803 -0.003 1
1 491 . 12 1 1 A 44 44 TYR N N 44 119.800 120.643 -0.843 1
1 492 . 12 1 1 A 45 45 HIS H H 45 6.380 8.227 -1.847 1
1 493 . 12 1 1 A 45 45 HIS HA H 45 3.770 4.311 -0.541 1
1 498 . 12 1 1 A 45 45 HIS CA C 45 58.500 59.512 -1.012 1
1 499 . 12 1 1 A 45 45 HIS CB C 45 31.600 30.980 0.620 1
1 502 . 12 1 1 A 45 45 HIS N N 45 114.500 117.301 -2.801 1
1 503 . 12 1 1 A 46 46 LEU H H 46 8.360 8.524 -0.164 1
1 504 . 12 1 1 A 46 46 LEU HA H 46 3.660 3.207 0.453 1
1 514 . 12 1 1 A 46 46 LEU CA C 46 57.100 57.537 -0.437 1
1 515 . 12 1 1 A 46 46 LEU CB C 46 40.800 41.668 -0.868 1
1 519 . 12 1 1 A 46 46 LEU N N 46 121.100 120.577 0.523 1
1 520 . 12 1 1 A 47 47 GLY H H 47 8.440 8.251 0.189 1
1 521 . 12 1 1 A 47 47 GLY HA2 H 47 3.350 3.191 0.159 1
1 522 . 12 1 1 A 47 47 GLY HA3 H 47 3.530 3.662 -0.132 1
1 523 . 12 1 1 A 47 47 GLY CA C 47 47.200 46.853 0.347 1
1 524 . 12 1 1 A 47 47 GLY N N 47 106.500 106.393 0.107 1
1 525 . 12 1 1 A 48 48 LYS H H 48 7.970 7.573 0.397 1
1 526 . 12 1 1 A 48 48 LYS HA H 48 3.800 3.917 -0.117 1
1 535 . 12 1 1 A 48 48 LYS CA C 48 58.200 59.330 -1.130 1
1 536 . 12 1 1 A 48 48 LYS CB C 48 31.600 32.134 -0.534 1
1 540 . 12 1 1 A 48 48 LYS N N 48 120.500 121.773 -1.273 1
1 541 . 12 1 1 A 49 49 LEU H H 49 7.800 7.311 0.489 1
1 542 . 12 1 1 A 49 49 LEU HA H 49 4.170 3.807 0.363 1
1 552 . 12 1 1 A 49 49 LEU CA C 49 57.500 57.399 0.101 1
1 553 . 12 1 1 A 49 49 LEU CB C 49 41.000 41.299 -0.299 1
1 557 . 12 1 1 A 49 49 LEU N N 49 124.000 120.462 3.538 1
1 558 . 12 1 1 A 50 50 TYR H H 50 8.610 7.640 0.970 1
1 559 . 12 1 1 A 50 50 TYR HA H 50 4.420 4.186 0.234 1
1 566 . 12 1 1 A 50 50 TYR CA C 50 59.600 60.735 -1.135 1
1 567 . 12 1 1 A 50 50 TYR CB C 50 35.600 37.978 -2.378 1
1 570 . 12 1 1 A 50 50 TYR N N 50 119.000 118.332 0.668 1
1 571 . 12 1 1 A 51 51 GLU H H 51 8.410 8.405 0.005 1
1 572 . 12 1 1 A 51 51 GLU HA H 51 3.760 3.905 -0.145 1
1 577 . 12 1 1 A 51 51 GLU CA C 51 61.600 59.960 1.640 1
1 578 . 12 1 1 A 51 51 GLU CB C 51 29.800 29.225 0.575 1
1 580 . 12 1 1 A 51 51 GLU N N 51 118.600 118.914 -0.314 1
1 581 . 12 1 1 A 52 52 ARG H H 52 7.910 7.886 0.024 1
1 582 . 12 1 1 A 52 52 ARG HA H 52 4.150 4.105 0.045 1
1 589 . 12 1 1 A 52 52 ARG CA C 52 58.600 58.711 -0.111 1
1 590 . 12 1 1 A 52 52 ARG CB C 52 29.600 30.004 -0.404 1
1 593 . 12 1 1 A 52 52 ARG N N 52 122.200 120.483 1.717 1
1 594 . 12 1 1 A 53 53 LEU H H 53 7.740 7.695 0.045 1
1 595 . 12 1 1 A 53 53 LEU HA H 53 4.400 4.346 0.054 1
1 605 . 12 1 1 A 53 53 LEU CA C 53 54.100 54.860 -0.760 1
1 606 . 12 1 1 A 53 53 LEU CB C 53 41.400 41.917 -0.517 1
1 610 . 12 1 1 A 53 53 LEU N N 53 119.400 117.869 1.531 1
1 611 . 12 1 1 A 54 54 ASP H H 54 8.090 7.970 0.120 1
1 612 . 12 1 1 A 54 54 ASP HA H 54 4.410 4.266 0.144 1
1 615 . 12 1 1 A 54 54 ASP CA C 54 55.500 55.569 -0.069 1
1 616 . 12 1 1 A 54 54 ASP CB C 54 38.900 40.641 -1.741 1
1 617 . 12 1 1 A 54 54 ASP N N 54 116.300 118.292 -1.992 1
1 618 . 12 1 1 A 55 55 ARG H H 55 8.420 8.261 0.159 1
1 619 . 12 1 1 A 55 55 ARG HA H 55 4.680 4.508 0.172 1
1 627 . 12 1 1 A 55 55 ARG CA C 55 54.000 54.597 -0.597 1
1 628 . 12 1 1 A 55 55 ARG CB C 55 29.800 28.150 1.650 1
1 631 . 12 1 1 A 55 55 ARG N N 55 120.800 119.978 0.822 1
1 633 . 12 1 1 A 56 56 THR H H 56 7.870 8.028 -0.158 1
1 634 . 12 1 1 A 56 56 THR HA H 56 3.510 3.808 -0.298 1
1 639 . 12 1 1 A 56 56 THR CA C 56 67.500 66.931 0.569 1
1 640 . 12 1 1 A 56 56 THR CB C 56 68.000 68.719 -0.719 1
1 642 . 12 1 1 A 56 56 THR N N 56 117.300 115.965 1.335 1
1 643 . 12 1 1 A 57 57 ASP H H 57 8.450 8.218 0.232 1
1 644 . 12 1 1 A 57 57 ASP HA H 57 4.260 4.256 0.004 1
1 647 . 12 1 1 A 57 57 ASP CA C 57 57.900 57.837 0.063 1
1 648 . 12 1 1 A 57 57 ASP CB C 57 39.100 41.589 -2.489 1
1 649 . 12 1 1 A 57 57 ASP N N 57 120.300 121.145 -0.845 1
1 650 . 12 1 1 A 58 58 ASP H H 58 7.540 7.672 -0.132 1
1 651 . 12 1 1 A 58 58 ASP HA H 58 4.170 4.088 0.082 1
1 654 . 12 1 1 A 58 58 ASP CA C 58 56.900 56.822 0.078 1
1 655 . 12 1 1 A 58 58 ASP CB C 58 38.400 39.284 -0.884 1
1 656 . 12 1 1 A 58 58 ASP N N 58 120.200 118.973 1.227 1
1 657 . 12 1 1 A 59 59 ALA H H 59 8.110 7.805 0.305 1
1 658 . 12 1 1 A 59 59 ALA HA H 59 3.760 4.000 -0.240 1
1 662 . 12 1 1 A 59 59 ALA CA C 59 56.000 55.005 0.995 1
1 663 . 12 1 1 A 59 59 ALA CB C 59 19.200 18.600 0.600 1
1 664 . 12 1 1 A 59 59 ALA N N 59 124.700 121.928 2.772 1
1 665 . 12 1 1 A 60 60 ILE H H 60 8.230 8.177 0.053 1
1 666 . 12 1 1 A 60 60 ILE HA H 60 3.520 3.810 -0.290 1
1 676 . 12 1 1 A 60 60 ILE CA C 60 66.800 65.259 1.541 1
1 677 . 12 1 1 A 60 60 ILE CB C 60 38.400 37.876 0.524 1
1 681 . 12 1 1 A 60 60 ILE N N 60 117.600 117.816 -0.216 1
1 682 . 12 1 1 A 61 61 ASP H H 61 7.750 7.907 -0.157 1
1 683 . 12 1 1 A 61 61 ASP HA H 61 4.440 4.279 0.161 1
1 686 . 12 1 1 A 61 61 ASP CA C 61 57.100 57.357 -0.257 1
1 687 . 12 1 1 A 61 61 ASP CB C 61 40.500 40.886 -0.386 1
1 688 . 12 1 1 A 61 61 ASP N N 61 118.300 120.541 -2.241 1
1 689 . 12 1 1 A 62 62 THR H H 62 8.040 8.076 -0.036 1
1 690 . 12 1 1 A 62 62 THR HA H 62 4.070 4.036 0.034 1
1 695 . 12 1 1 A 62 62 THR CA C 62 68.000 66.596 1.404 1
1 696 . 12 1 1 A 62 62 THR CB C 62 68.600 68.599 0.001 1
1 698 . 12 1 1 A 62 62 THR N N 62 119.800 116.067 3.733 1
1 699 . 12 1 1 A 63 63 TYR H H 63 8.970 7.864 1.106 1
1 700 . 12 1 1 A 63 63 TYR HA H 63 4.480 4.406 0.074 1
1 707 . 12 1 1 A 63 63 TYR CA C 63 59.200 61.286 -2.086 1
1 708 . 12 1 1 A 63 63 TYR CB C 63 37.700 37.366 0.334 1
1 711 . 12 1 1 A 63 63 TYR N N 63 121.700 120.700 1.000 1
1 712 . 12 1 1 A 64 64 ALA H H 64 8.690 8.327 0.363 1
1 713 . 12 1 1 A 64 64 ALA HA H 64 4.000 4.080 -0.080 1
1 717 . 12 1 1 A 64 64 ALA CA C 64 55.500 55.375 0.125 1
1 718 . 12 1 1 A 64 64 ALA CB C 64 17.800 18.255 -0.455 1
1 719 . 12 1 1 A 64 64 ALA N N 64 119.400 122.682 -3.282 1
1 720 . 12 1 1 A 65 65 GLN H H 65 8.100 7.898 0.202 1
1 721 . 12 1 1 A 65 65 GLN HA H 65 4.010 4.061 -0.051 1
1 728 . 12 1 1 A 65 65 GLN CA C 65 58.600 59.060 -0.460 1
1 729 . 12 1 1 A 65 65 GLN CB C 65 28.500 28.137 0.363 1
1 731 . 12 1 1 A 65 65 GLN N N 65 119.600 118.323 1.277 1
1 733 . 12 1 1 A 66 66 GLY H H 66 8.430 8.307 0.123 1
1 734 . 12 1 1 A 66 66 GLY HA2 H 66 3.080 2.889 0.191 1
1 735 . 12 1 1 A 66 66 GLY HA3 H 66 2.520 3.512 -0.992 1
1 736 . 12 1 1 A 66 66 GLY CA C 66 46.800 47.142 -0.342 1
1 737 . 12 1 1 A 66 66 GLY N N 66 108.200 106.697 1.503 1
1 738 . 12 1 1 A 67 67 ILE H H 67 8.570 8.570 0.000 1
1 739 . 12 1 1 A 67 67 ILE HA H 67 3.320 3.802 -0.482 1
1 749 . 12 1 1 A 67 67 ILE CA C 67 65.900 64.282 1.618 1
1 750 . 12 1 1 A 67 67 ILE CB C 67 38.400 37.593 0.807 1
1 754 . 12 1 1 A 67 67 ILE N N 67 123.500 122.387 1.113 1
1 755 . 12 1 1 A 68 68 GLU H H 68 7.030 8.065 -1.035 1
1 756 . 12 1 1 A 68 68 GLU HA H 68 3.960 4.047 -0.087 1
1 761 . 12 1 1 A 68 68 GLU CA C 68 58.700 59.312 -0.612 1
1 762 . 12 1 1 A 68 68 GLU CB C 68 28.500 29.305 -0.805 1
1 764 . 12 1 1 A 68 68 GLU N N 68 116.500 119.601 -3.101 1
1 765 . 12 1 1 A 69 69 VAL H H 69 7.440 7.423 0.017 1
1 766 . 12 1 1 A 69 69 VAL HA H 69 3.740 3.866 -0.126 1
1 774 . 12 1 1 A 69 69 VAL CA C 69 65.700 64.530 1.170 1
1 775 . 12 1 1 A 69 69 VAL CB C 69 32.000 31.271 0.729 1
1 778 . 12 1 1 A 69 69 VAL N N 69 119.500 116.021 3.479 1
1 779 . 12 1 1 A 70 70 ALA H H 70 9.290 8.253 1.037 1
1 780 . 12 1 1 A 70 70 ALA HA H 70 3.820 3.972 -0.152 1
1 784 . 12 1 1 A 70 70 ALA CA C 70 54.400 55.621 -1.221 1
1 785 . 12 1 1 A 70 70 ALA CB C 70 18.000 18.302 -0.302 1
1 786 . 12 1 1 A 70 70 ALA N N 70 122.500 124.194 -1.694 1
1 787 . 12 1 1 A 71 71 ARG H H 71 8.280 7.969 0.311 1
1 788 . 12 1 1 A 71 71 ARG HA H 71 3.870 4.030 -0.160 1
1 796 . 12 1 1 A 71 71 ARG CA C 71 59.500 58.913 0.587 1
1 797 . 12 1 1 A 71 71 ARG CB C 71 30.000 30.096 -0.096 1
1 800 . 12 1 1 A 71 71 ARG N N 71 116.900 117.047 -0.147 1
1 802 . 12 1 1 A 72 72 GLU H H 72 7.390 7.793 -0.403 1
1 803 . 12 1 1 A 72 72 GLU HA H 72 4.300 4.233 0.067 1
1 808 . 12 1 1 A 72 72 GLU CA C 72 57.700 58.672 -0.972 1
1 809 . 12 1 1 A 72 72 GLU CB C 72 30.500 30.461 0.039 1
1 811 . 12 1 1 A 72 72 GLU N N 72 116.800 118.665 -1.865 1
1 812 . 12 1 1 A 73 73 GLU H H 73 8.490 8.500 -0.010 1
1 813 . 12 1 1 A 73 73 GLU HA H 73 4.550 4.261 0.289 1
1 818 . 12 1 1 A 73 73 GLU CA C 73 55.900 58.151 -2.251 1
1 819 . 12 1 1 A 73 73 GLU CB C 73 30.800 29.975 0.825 1
1 821 . 12 1 1 A 73 73 GLU N N 73 115.000 118.170 -3.170 1
1 822 . 12 1 1 A 74 74 GLY H H 74 8.070 7.516 0.554 1
1 823 . 12 1 1 A 74 74 GLY HA2 H 74 4.450 4.052 0.398 1
1 824 . 12 1 1 A 74 74 GLY HA3 H 74 3.830 4.063 -0.233 1
1 825 . 12 1 1 A 74 74 GLY CA C 74 44.600 44.342 0.258 1
1 826 . 12 1 1 A 74 74 GLY N N 74 108.100 108.517 -0.417 1
1 827 . 12 1 1 A 75 75 THR H H 75 8.760 8.303 0.457 1
1 828 . 12 1 1 A 75 75 THR HA H 75 4.670 4.988 -0.318 1
1 833 . 12 1 1 A 75 75 THR CA C 75 59.000 60.101 -1.101 1
1 834 . 12 1 1 A 75 75 THR CB C 75 70.900 70.746 0.154 1
1 836 . 12 1 1 A 75 75 THR N N 75 111.400 115.647 -4.247 1
1 837 . 12 1 1 A 76 76 GLN H H 76 8.710 8.776 -0.066 1
1 838 . 12 1 1 A 76 76 GLN HA H 76 3.940 3.954 -0.014 1
1 845 . 12 1 1 A 76 76 GLN CA C 76 58.700 58.985 -0.285 1
1 846 . 12 1 1 A 76 76 GLN CB C 76 27.900 28.302 -0.402 1
1 848 . 12 1 1 A 76 76 GLN N N 76 123.100 125.515 -2.415 1
1 850 . 12 1 1 A 77 77 LYS H H 77 8.240 7.590 0.650 1
1 851 . 12 1 1 A 77 77 LYS HA H 77 4.000 4.021 -0.021 1
1 860 . 12 1 1 A 77 77 LYS CA C 77 59.200 59.586 -0.386 1
1 861 . 12 1 1 A 77 77 LYS CB C 77 31.900 32.060 -0.160 1
1 865 . 12 1 1 A 77 77 LYS N N 77 121.000 119.464 1.536 1
1 866 . 12 1 1 A 78 78 ASP H H 78 7.390 8.296 -0.906 1
1 867 . 12 1 1 A 78 78 ASP HA H 78 4.170 4.357 -0.187 1
1 870 . 12 1 1 A 78 78 ASP CA C 78 57.000 57.301 -0.301 1
1 871 . 12 1 1 A 78 78 ASP CB C 78 41.400 40.321 1.079 1
1 872 . 12 1 1 A 78 78 ASP N N 78 117.800 119.830 -2.030 1
1 873 . 12 1 1 A 79 79 LEU H H 79 7.690 8.214 -0.524 1
1 874 . 12 1 1 A 79 79 LEU HA H 79 3.770 4.071 -0.301 1
1 884 . 12 1 1 A 79 79 LEU CA C 79 58.100 57.795 0.305 1
1 885 . 12 1 1 A 79 79 LEU CB C 79 42.100 41.392 0.708 1
1 889 . 12 1 1 A 79 79 LEU N N 79 118.400 122.626 -4.226 1
1 890 . 12 1 1 A 80 80 SER H H 80 8.400 8.086 0.314 1
1 891 . 12 1 1 A 80 80 SER HA H 80 4.170 4.019 0.151 1
1 894 . 12 1 1 A 80 80 SER CA C 80 61.500 61.618 -0.118 1
1 895 . 12 1 1 A 80 80 SER CB C 80 62.500 62.816 -0.316 1
1 896 . 12 1 1 A 80 80 SER N N 80 114.000 114.693 -0.693 1
1 897 . 12 1 1 A 81 81 GLU H H 81 7.930 7.566 0.364 1
1 898 . 12 1 1 A 81 81 GLU HA H 81 4.030 4.112 -0.082 1
1 903 . 12 1 1 A 81 81 GLU CA C 81 59.000 59.235 -0.235 1
1 904 . 12 1 1 A 81 81 GLU CB C 81 29.000 29.192 -0.192 1
1 906 . 12 1 1 A 81 81 GLU N N 81 121.000 121.723 -0.723 1
1 907 . 12 1 1 A 82 82 LEU H H 82 7.870 8.275 -0.405 1
1 908 . 12 1 1 A 82 82 LEU HA H 82 3.890 3.963 -0.073 1
1 918 . 12 1 1 A 82 82 LEU CA C 82 57.900 58.051 -0.151 1
1 919 . 12 1 1 A 82 82 LEU CB C 82 43.900 41.232 2.668 1
1 923 . 12 1 1 A 82 82 LEU N N 82 120.900 120.123 0.777 1
1 924 . 12 1 1 A 83 83 GLN H H 83 8.520 8.190 0.330 1
1 925 . 12 1 1 A 83 83 GLN HA H 83 3.900 3.872 0.028 1
1 932 . 12 1 1 A 83 83 GLN CA C 83 59.200 59.079 0.121 1
1 933 . 12 1 1 A 83 83 GLN CB C 83 28.300 28.404 -0.104 1
1 935 . 12 1 1 A 83 83 GLN N N 83 118.300 118.413 -0.113 1
1 937 . 12 1 1 A 84 84 ASP H H 84 8.140 8.445 -0.305 1
1 938 . 12 1 1 A 84 84 ASP HA H 84 4.340 4.326 0.014 1
1 941 . 12 1 1 A 84 84 ASP CA C 84 57.100 57.734 -0.634 1
1 942 . 12 1 1 A 84 84 ASP CB C 84 41.000 41.737 -0.737 1
1 943 . 12 1 1 A 84 84 ASP N N 84 119.700 119.659 0.041 1
1 944 . 12 1 1 A 85 85 ALA H H 85 7.740 8.247 -0.507 1
1 945 . 12 1 1 A 85 85 ALA HA H 85 3.810 3.951 -0.141 1
1 949 . 12 1 1 A 85 85 ALA CA C 85 54.600 55.191 -0.591 1
1 950 . 12 1 1 A 85 85 ALA CB C 85 16.200 17.738 -1.538 1
1 951 . 12 1 1 A 85 85 ALA N N 85 121.600 121.336 0.264 1
1 952 . 12 1 1 A 86 86 LYS H H 86 8.070 7.478 0.592 1
1 953 . 12 1 1 A 86 86 LYS HA H 86 3.810 4.123 -0.313 1
1 962 . 12 1 1 A 86 86 LYS CA C 86 60.600 59.094 1.506 1
1 963 . 12 1 1 A 86 86 LYS CB C 86 33.300 31.891 1.409 1
1 967 . 12 1 1 A 86 86 LYS N N 86 120.200 116.608 3.592 1
1 968 . 12 1 1 A 87 87 LEU H H 87 7.780 8.162 -0.382 1
1 969 . 12 1 1 A 87 87 LEU HA H 87 4.160 4.000 0.160 1
1 979 . 12 1 1 A 87 87 LEU CA C 87 57.500 58.136 -0.636 1
1 980 . 12 1 1 A 87 87 LEU CB C 87 41.900 41.749 0.151 1
1 984 . 12 1 1 A 87 87 LEU N N 87 118.400 121.347 -2.947 1
1 985 . 12 1 1 A 88 88 LYS H H 88 7.900 8.396 -0.496 1
1 986 . 12 1 1 A 88 88 LYS HA H 88 3.960 4.017 -0.057 1
1 995 . 12 1 1 A 88 88 LYS CA C 88 59.200 58.981 0.219 1
1 996 . 12 1 1 A 88 88 LYS CB C 88 32.000 31.807 0.193 1
1 1000 . 12 1 1 A 88 88 LYS N N 88 118.700 117.465 1.235 1
1 1001 . 12 1 1 A 89 89 ALA H H 89 8.000 7.870 0.130 1
1 1002 . 12 1 1 A 89 89 ALA HA H 89 4.150 4.077 0.073 1
1 1006 . 12 1 1 A 89 89 ALA CA C 89 54.500 55.186 -0.686 1
1 1007 . 12 1 1 A 89 89 ALA CB C 89 17.800 18.097 -0.297 1
1 1008 . 12 1 1 A 89 89 ALA N N 89 122.400 121.902 0.498 1
1 1009 . 12 1 1 A 90 90 GLU H H 90 8.300 8.517 -0.217 1
1 1010 . 12 1 1 A 90 90 GLU HA H 90 3.930 4.163 -0.233 1
1 1015 . 12 1 1 A 90 90 GLU CA C 90 58.000 59.321 -1.321 1
1 1016 . 12 1 1 A 90 90 GLU CB C 90 29.700 29.245 0.455 1
1 1018 . 12 1 1 A 90 90 GLU N N 90 116.700 118.330 -1.630 1
1 1019 . 12 1 1 A 91 91 GLY H H 91 7.710 8.021 -0.311 1
1 1020 . 12 1 1 A 91 91 GLY HA2 H 91 4.070 3.937 0.133 1
1 1021 . 12 1 1 A 91 91 GLY HA3 H 91 3.870 3.966 -0.096 1
1 1022 . 12 1 1 A 91 91 GLY CA C 91 45.500 45.085 0.415 1
1 1023 . 12 1 1 A 91 91 GLY N N 91 106.000 108.481 -2.481 1
1 1024 . 12 1 1 A 92 92 LEU H H 92 7.640 7.578 0.062 1
1 1025 . 12 1 1 A 92 92 LEU HA H 92 4.270 4.046 0.224 1
1 1035 . 12 1 1 A 92 92 LEU CA C 92 55.200 58.009 -2.809 1
1 1036 . 12 1 1 A 92 92 LEU CB C 92 42.100 41.925 0.175 1
1 1040 . 12 1 1 A 92 92 LEU N N 92 121.200 119.564 1.636 1
1 1041 . 12 1 1 A 93 93 GLU H H 93 8.290 8.249 0.041 1
1 1042 . 12 1 1 A 93 93 GLU HA H 93 4.130 4.421 -0.291 1
1 1047 . 12 1 1 A 93 93 GLU CA C 93 56.700 56.000 0.700 1
1 1048 . 12 1 1 A 93 93 GLU CB C 93 29.700 29.151 0.549 1
1 1050 . 12 1 1 A 93 93 GLU N N 93 120.200 116.927 3.273 1
1 1051 . 12 1 1 A 94 94 HIS H H 94 8.260 8.156 0.104 1
1 1052 . 12 1 1 A 94 94 HIS HA H 94 4.560 4.112 0.448 1
1 1055 . 12 1 1 A 94 94 HIS CA C 94 55.400 58.602 -3.202 1
1 1056 . 12 1 1 A 94 94 HIS CB C 94 29.700 29.430 0.270 1
1 1057 . 12 1 1 A 94 94 HIS N N 94 118.900 124.545 -5.645 1
1 1058 . 12 1 1 A 95 95 HIS H H 95 8.170 7.977 0.193 1
1 1059 . 12 1 1 A 95 95 HIS HA H 95 4.410 4.551 -0.141 1
1 1062 . 12 1 1 A 95 95 HIS CA C 95 57.000 54.357 2.643 1
1 1063 . 12 1 1 A 95 95 HIS CB C 95 30.000 30.200 -0.200 1
1 9 . 13 1 1 A 2 2 ASP H H 2 8.560 8.939 -0.379 1
1 10 . 13 1 1 A 2 2 ASP HA H 2 4.850 5.108 -0.258 1
1 13 . 13 1 1 A 2 2 ASP CA C 2 52.200 51.182 1.018 1
1 14 . 13 1 1 A 2 2 ASP CB C 2 40.900 41.263 -0.363 1
1 15 . 13 1 1 A 2 2 ASP N N 2 123.000 123.701 -0.701 1
1 16 . 13 1 1 A 3 3 PRO HA H 3 4.380 4.202 0.178 1
1 23 . 13 1 1 A 3 3 PRO CA C 3 63.500 64.971 -1.471 1
1 24 . 13 1 1 A 3 3 PRO CB C 3 32.100 31.870 0.230 1
1 27 . 13 1 1 A 4 4 GLU H H 4 8.410 8.772 -0.362 1
1 28 . 13 1 1 A 4 4 GLU HA H 4 4.250 4.070 0.180 1
1 33 . 13 1 1 A 4 4 GLU CA C 4 55.900 59.498 -3.598 1
1 34 . 13 1 1 A 4 4 GLU CB C 4 30.100 29.143 0.957 1
1 36 . 13 1 1 A 4 4 GLU N N 4 118.300 117.927 0.373 1
1 37 . 13 1 1 A 5 5 ASP H H 5 8.030 7.593 0.437 1
1 38 . 13 1 1 A 5 5 ASP HA H 5 4.730 4.716 0.014 1
1 41 . 13 1 1 A 5 5 ASP CA C 5 52.600 52.708 -0.108 1
1 42 . 13 1 1 A 5 5 ASP CB C 5 41.700 40.655 1.045 1
1 43 . 13 1 1 A 5 5 ASP N N 5 123.700 120.133 3.567 1
1 44 . 13 1 1 A 6 6 PRO HA H 6 3.940 4.309 -0.369 1
1 51 . 13 1 1 A 6 6 PRO CA C 6 64.900 65.417 -0.517 1
1 52 . 13 1 1 A 6 6 PRO CB C 6 31.000 31.439 -0.439 1
1 55 . 13 1 1 A 7 7 PHE H H 7 8.130 7.711 0.419 1
1 56 . 13 1 1 A 7 7 PHE HA H 7 4.220 4.158 0.062 1
1 64 . 13 1 1 A 7 7 PHE CA C 7 60.800 61.281 -0.481 1
1 65 . 13 1 1 A 7 7 PHE CB C 7 38.300 39.237 -0.937 1
1 69 . 13 1 1 A 7 7 PHE N N 7 117.200 118.540 -1.340 1
1 70 . 13 1 1 A 8 8 THR H H 8 7.830 7.988 -0.158 1
1 71 . 13 1 1 A 8 8 THR HA H 8 3.710 3.970 -0.260 1
1 76 . 13 1 1 A 8 8 THR CA C 8 66.200 66.935 -0.735 1
1 77 . 13 1 1 A 8 8 THR CB C 8 68.300 68.708 -0.408 1
1 79 . 13 1 1 A 8 8 THR N N 8 115.700 115.256 0.444 1
1 80 . 13 1 1 A 9 9 ARG H H 9 7.300 8.234 -0.934 1
1 81 . 13 1 1 A 9 9 ARG HA H 9 3.840 4.010 -0.170 1
1 89 . 13 1 1 A 9 9 ARG CA C 9 59.700 58.758 0.942 1
1 90 . 13 1 1 A 9 9 ARG CB C 9 30.400 30.153 0.247 1
1 93 . 13 1 1 A 9 9 ARG N N 9 121.400 120.216 1.184 1
1 95 . 13 1 1 A 10 10 TYR H H 10 8.480 8.246 0.234 1
1 96 . 13 1 1 A 10 10 TYR HA H 10 3.800 4.191 -0.391 1
1 103 . 13 1 1 A 10 10 TYR CA C 10 61.400 61.417 -0.017 1
1 104 . 13 1 1 A 10 10 TYR CB C 10 38.300 38.786 -0.486 1
1 107 . 13 1 1 A 10 10 TYR N N 10 121.700 121.657 0.043 1
1 108 . 13 1 1 A 11 11 ALA H H 11 8.500 8.174 0.326 1
1 109 . 13 1 1 A 11 11 ALA HA H 11 3.700 3.717 -0.017 1
1 113 . 13 1 1 A 11 11 ALA CA C 11 54.400 54.934 -0.534 1
1 114 . 13 1 1 A 11 11 ALA CB C 11 17.300 18.119 -0.819 1
1 115 . 13 1 1 A 11 11 ALA N N 11 121.700 121.759 -0.059 1
1 116 . 13 1 1 A 12 12 LEU H H 12 7.690 8.259 -0.569 1
1 117 . 13 1 1 A 12 12 LEU HA H 12 3.920 3.827 0.093 1
1 127 . 13 1 1 A 12 12 LEU CA C 12 57.100 57.851 -0.751 1
1 128 . 13 1 1 A 12 12 LEU CB C 12 41.500 41.321 0.179 1
1 132 . 13 1 1 A 12 12 LEU N N 12 120.900 118.247 2.653 1
1 133 . 13 1 1 A 13 13 ALA H H 13 8.010 8.251 -0.241 1
1 134 . 13 1 1 A 13 13 ALA HA H 13 3.500 3.963 -0.463 1
1 138 . 13 1 1 A 13 13 ALA CA C 13 55.400 55.446 -0.046 1
1 139 . 13 1 1 A 13 13 ALA CB C 13 17.400 17.954 -0.554 1
1 140 . 13 1 1 A 13 13 ALA N N 13 123.000 121.692 1.308 1
1 141 . 13 1 1 A 14 14 GLN H H 14 7.660 7.786 -0.126 1
1 142 . 13 1 1 A 14 14 GLN HA H 14 3.910 4.013 -0.103 1
1 149 . 13 1 1 A 14 14 GLN CA C 14 58.200 58.928 -0.728 1
1 150 . 13 1 1 A 14 14 GLN CB C 14 27.700 28.438 -0.738 1
1 152 . 13 1 1 A 14 14 GLN N N 14 114.000 117.179 -3.179 1
1 154 . 13 1 1 A 15 15 GLU H H 15 7.900 7.994 -0.094 1
1 155 . 13 1 1 A 15 15 GLU HA H 15 3.900 4.022 -0.122 1
1 160 . 13 1 1 A 15 15 GLU CA C 15 58.800 59.402 -0.602 1
1 161 . 13 1 1 A 15 15 GLU CB C 15 28.600 29.610 -1.010 1
1 163 . 13 1 1 A 15 15 GLU N N 15 122.400 121.031 1.369 1
1 164 . 13 1 1 A 16 16 HIS H H 16 8.220 7.962 0.258 1
1 165 . 13 1 1 A 16 16 HIS HA H 16 4.520 4.483 0.037 1
1 170 . 13 1 1 A 16 16 HIS CA C 16 59.700 59.123 0.577 1
1 171 . 13 1 1 A 16 16 HIS CB C 16 29.600 29.794 -0.194 1
1 174 . 13 1 1 A 16 16 HIS N N 16 119.100 119.036 0.064 1
1 175 . 13 1 1 A 17 17 LEU H H 17 8.090 8.483 -0.393 1
1 176 . 13 1 1 A 17 17 LEU HA H 17 3.870 3.875 -0.005 1
1 186 . 13 1 1 A 17 17 LEU CA C 17 57.900 57.991 -0.091 1
1 187 . 13 1 1 A 17 17 LEU CB C 17 41.400 41.446 -0.046 1
1 191 . 13 1 1 A 17 17 LEU N N 17 120.500 119.761 0.739 1
1 192 . 13 1 1 A 18 18 LYS H H 18 7.960 7.819 0.141 1
1 193 . 13 1 1 A 18 18 LYS HA H 18 4.030 4.062 -0.032 1
1 202 . 13 1 1 A 18 18 LYS CA C 18 58.400 58.968 -0.568 1
1 203 . 13 1 1 A 18 18 LYS CB C 18 31.800 32.597 -0.797 1
1 207 . 13 1 1 A 18 18 LYS N N 18 121.000 118.017 2.983 1
1 208 . 13 1 1 A 19 19 HIS H H 19 7.410 7.803 -0.393 1
1 209 . 13 1 1 A 19 19 HIS HA H 19 4.720 4.609 0.111 1
1 213 . 13 1 1 A 19 19 HIS CA C 19 54.700 55.737 -1.037 1
1 214 . 13 1 1 A 19 19 HIS CB C 19 28.500 29.738 -1.238 1
1 216 . 13 1 1 A 19 19 HIS N N 19 115.800 115.216 0.584 1
1 217 . 13 1 1 A 20 20 ASP H H 20 8.010 8.213 -0.203 1
1 218 . 13 1 1 A 20 20 ASP HA H 20 4.370 4.231 0.139 1
1 221 . 13 1 1 A 20 20 ASP CA C 20 55.600 55.598 0.002 1
1 222 . 13 1 1 A 20 20 ASP CB C 20 39.600 40.628 -1.028 1
1 223 . 13 1 1 A 20 20 ASP N N 20 115.900 117.689 -1.789 1
1 224 . 13 1 1 A 21 21 ASN H H 21 8.450 8.224 0.226 1
1 225 . 13 1 1 A 21 21 ASN HA H 21 5.130 5.013 0.117 1
1 230 . 13 1 1 A 21 21 ASN CA C 21 50.600 52.051 -1.451 1
1 231 . 13 1 1 A 21 21 ASN CB C 21 37.000 36.478 0.522 1
1 232 . 13 1 1 A 21 21 ASN N N 21 118.700 118.980 -0.280 1
1 234 . 13 1 1 A 22 22 ALA H H 22 8.010 8.458 -0.448 1
1 235 . 13 1 1 A 22 22 ALA HA H 22 3.840 4.056 -0.216 1
1 239 . 13 1 1 A 22 22 ALA CA C 22 55.300 55.022 0.278 1
1 240 . 13 1 1 A 22 22 ALA CB C 22 18.300 18.175 0.125 1
1 241 . 13 1 1 A 22 22 ALA N N 22 123.300 125.594 -2.294 1
1 242 . 13 1 1 A 23 23 SER H H 23 8.670 7.946 0.724 1
1 243 . 13 1 1 A 23 23 SER HA H 23 4.070 4.150 -0.080 1
1 246 . 13 1 1 A 23 23 SER CA C 23 61.800 61.462 0.338 1
1 247 . 13 1 1 A 23 23 SER CB C 23 61.900 62.998 -1.098 1
1 248 . 13 1 1 A 23 23 SER N N 23 112.500 113.086 -0.586 1
1 249 . 13 1 1 A 24 24 ARG H H 24 7.230 7.858 -0.628 1
1 250 . 13 1 1 A 24 24 ARG HA H 24 3.960 3.935 0.025 1
1 257 . 13 1 1 A 24 24 ARG CA C 24 57.000 59.421 -2.421 1
1 258 . 13 1 1 A 24 24 ARG CB C 24 29.100 29.957 -0.857 1
1 261 . 13 1 1 A 24 24 ARG N N 24 122.300 121.578 0.722 1
1 262 . 13 1 1 A 25 25 ALA H H 25 7.340 7.789 -0.449 1
1 263 . 13 1 1 A 25 25 ALA HA H 25 3.570 3.988 -0.418 1
1 267 . 13 1 1 A 25 25 ALA CA C 25 55.300 55.004 0.296 1
1 268 . 13 1 1 A 25 25 ALA CB C 25 18.700 17.997 0.703 1
1 269 . 13 1 1 A 25 25 ALA N N 25 120.200 121.379 -1.179 1
1 270 . 13 1 1 A 26 26 LEU H H 26 8.420 8.278 0.142 1
1 271 . 13 1 1 A 26 26 LEU HA H 26 3.800 4.207 -0.407 1
1 281 . 13 1 1 A 26 26 LEU CA C 26 58.300 57.921 0.379 1
1 282 . 13 1 1 A 26 26 LEU CB C 26 41.800 41.710 0.090 1
1 286 . 13 1 1 A 26 26 LEU N N 26 116.500 120.412 -3.912 1
1 287 . 13 1 1 A 27 27 ALA H H 27 7.190 8.233 -1.043 1
1 288 . 13 1 1 A 27 27 ALA HA H 27 4.120 4.154 -0.034 1
1 292 . 13 1 1 A 27 27 ALA CA C 27 54.700 55.115 -0.415 1
1 293 . 13 1 1 A 27 27 ALA CB C 27 18.000 18.130 -0.130 1
1 294 . 13 1 1 A 27 27 ALA N N 27 118.200 120.854 -2.654 1
1 295 . 13 1 1 A 28 28 LEU H H 28 7.500 7.710 -0.210 1
1 296 . 13 1 1 A 28 28 LEU HA H 28 4.070 3.880 0.190 1
1 306 . 13 1 1 A 28 28 LEU CA C 28 57.600 57.474 0.126 1
1 307 . 13 1 1 A 28 28 LEU CB C 28 43.100 42.313 0.787 1
1 311 . 13 1 1 A 28 28 LEU N N 28 118.300 118.771 -0.471 1
1 312 . 13 1 1 A 29 29 PHE H H 29 8.690 8.240 0.450 1
1 313 . 13 1 1 A 29 29 PHE HA H 29 4.630 4.389 0.241 1
1 321 . 13 1 1 A 29 29 PHE CA C 29 58.700 60.685 -1.985 1
1 322 . 13 1 1 A 29 29 PHE CB C 29 40.300 38.477 1.823 1
1 326 . 13 1 1 A 29 29 PHE N N 29 119.000 117.479 1.521 1
1 327 . 13 1 1 A 30 30 GLU H H 30 8.990 8.488 0.502 1
1 328 . 13 1 1 A 30 30 GLU HA H 30 3.790 4.080 -0.290 1
1 333 . 13 1 1 A 30 30 GLU CA C 30 60.100 59.421 0.679 1
1 334 . 13 1 1 A 30 30 GLU CB C 30 29.100 29.268 -0.168 1
1 336 . 13 1 1 A 30 30 GLU N N 30 117.400 118.440 -1.040 1
1 337 . 13 1 1 A 31 31 GLU H H 31 7.830 8.048 -0.218 1
1 338 . 13 1 1 A 31 31 GLU HA H 31 4.160 4.224 -0.064 1
1 343 . 13 1 1 A 31 31 GLU CA C 31 58.800 58.946 -0.146 1
1 344 . 13 1 1 A 31 31 GLU CB C 31 29.900 29.627 0.273 1
1 346 . 13 1 1 A 31 31 GLU N N 31 119.500 119.321 0.179 1
1 347 . 13 1 1 A 32 32 LEU H H 32 7.920 8.409 -0.489 1
1 348 . 13 1 1 A 32 32 LEU HA H 32 4.130 4.094 0.036 1
1 358 . 13 1 1 A 32 32 LEU CA C 32 58.200 58.199 0.001 1
1 359 . 13 1 1 A 32 32 LEU CB C 32 43.000 41.903 1.097 1
1 363 . 13 1 1 A 32 32 LEU N N 32 122.000 120.286 1.714 1
1 364 . 13 1 1 A 33 33 VAL H H 33 7.460 7.854 -0.394 1
1 365 . 13 1 1 A 33 33 VAL HA H 33 3.590 3.270 0.320 1
1 373 . 13 1 1 A 33 33 VAL CA C 33 65.800 66.925 -1.125 1
1 374 . 13 1 1 A 33 33 VAL CB C 33 31.500 31.263 0.237 1
1 377 . 13 1 1 A 33 33 VAL N N 33 116.000 118.305 -2.305 1
1 378 . 13 1 1 A 34 34 GLU H H 34 7.210 7.933 -0.723 1
1 379 . 13 1 1 A 34 34 GLU HA H 34 4.130 4.168 -0.038 1
1 384 . 13 1 1 A 34 34 GLU CA C 34 58.500 58.919 -0.419 1
1 385 . 13 1 1 A 34 34 GLU CB C 34 29.900 29.029 0.871 1
1 387 . 13 1 1 A 34 34 GLU N N 34 117.400 119.227 -1.827 1
1 388 . 13 1 1 A 35 35 THR H H 35 9.100 7.537 1.563 1
1 389 . 13 1 1 A 35 35 THR HA H 35 4.180 4.473 -0.293 1
1 394 . 13 1 1 A 35 35 THR CA C 35 63.900 63.016 0.884 1
1 395 . 13 1 1 A 35 35 THR CB C 35 69.300 69.679 -0.379 1
1 397 . 13 1 1 A 35 35 THR N N 35 109.900 110.788 -0.888 1
1 398 . 13 1 1 A 36 36 ASP H H 36 8.630 8.311 0.319 1
1 399 . 13 1 1 A 36 36 ASP HA H 36 5.300 5.043 0.257 1
1 402 . 13 1 1 A 36 36 ASP CA C 36 52.700 51.651 1.049 1
1 403 . 13 1 1 A 36 36 ASP CB C 36 42.400 41.331 1.069 1
1 404 . 13 1 1 A 36 36 ASP N N 36 122.800 121.184 1.616 1
1 405 . 13 1 1 A 37 37 PRO HA H 37 4.560 4.646 -0.086 1
1 412 . 13 1 1 A 37 37 PRO CA C 37 64.400 64.529 -0.129 1
1 413 . 13 1 1 A 37 37 PRO CB C 37 31.100 32.035 -0.935 1
1 416 . 13 1 1 A 38 38 ASP H H 38 8.630 8.617 0.013 1
1 417 . 13 1 1 A 38 38 ASP HA H 38 4.570 4.697 -0.127 1
1 420 . 13 1 1 A 38 38 ASP CA C 38 53.800 54.856 -1.056 1
1 421 . 13 1 1 A 38 38 ASP CB C 38 39.500 40.029 -0.529 1
1 422 . 13 1 1 A 38 38 ASP N N 38 113.700 116.378 -2.678 1
1 423 . 13 1 1 A 39 39 TYR H H 39 8.110 7.930 0.180 1
1 424 . 13 1 1 A 39 39 TYR HA H 39 4.540 4.754 -0.214 1
1 431 . 13 1 1 A 39 39 TYR CA C 39 58.500 56.364 2.136 1
1 432 . 13 1 1 A 39 39 TYR CB C 39 36.500 37.785 -1.285 1
1 435 . 13 1 1 A 39 39 TYR N N 39 123.700 121.949 1.751 1
1 436 . 13 1 1 A 40 40 VAL H H 40 7.880 7.916 -0.036 1
1 437 . 13 1 1 A 40 40 VAL HA H 40 3.770 3.864 -0.094 1
1 445 . 13 1 1 A 40 40 VAL CA C 40 65.000 66.391 -1.391 1
1 446 . 13 1 1 A 40 40 VAL CB C 40 32.500 31.486 1.014 1
1 449 . 13 1 1 A 40 40 VAL N N 40 128.100 125.692 2.408 1
1 450 . 13 1 1 A 41 41 GLY H H 41 7.530 7.809 -0.279 1
1 451 . 13 1 1 A 41 41 GLY HA2 H 41 3.410 3.216 0.194 1
1 452 . 13 1 1 A 41 41 GLY HA3 H 41 3.880 3.809 0.071 1
1 453 . 13 1 1 A 41 41 GLY CA C 41 46.400 46.915 -0.515 1
1 454 . 13 1 1 A 41 41 GLY N N 41 105.900 107.882 -1.982 1
1 455 . 13 1 1 A 42 42 THR H H 42 7.150 7.257 -0.107 1
1 456 . 13 1 1 A 42 42 THR HA H 42 3.580 4.278 -0.698 1
1 462 . 13 1 1 A 42 42 THR CA C 42 65.600 66.690 -1.090 1
1 463 . 13 1 1 A 42 42 THR CB C 42 68.900 68.541 0.359 1
1 465 . 13 1 1 A 42 42 THR N N 42 111.900 118.122 -6.222 1
1 466 . 13 1 1 A 43 43 TYR H H 43 7.040 8.418 -1.378 1
1 467 . 13 1 1 A 43 43 TYR HA H 43 3.460 4.281 -0.821 1
1 474 . 13 1 1 A 43 43 TYR CA C 43 64.100 60.457 3.643 1
1 475 . 13 1 1 A 43 43 TYR CB C 43 38.300 38.007 0.293 1
1 478 . 13 1 1 A 43 43 TYR N N 43 113.500 120.205 -6.705 1
1 479 . 13 1 1 A 44 44 TYR H H 44 9.770 8.185 1.585 1
1 480 . 13 1 1 A 44 44 TYR HA H 44 3.990 4.459 -0.469 1
1 487 . 13 1 1 A 44 44 TYR CA C 44 61.900 62.030 -0.130 1
1 488 . 13 1 1 A 44 44 TYR CB C 44 38.800 39.028 -0.228 1
1 491 . 13 1 1 A 44 44 TYR N N 44 119.800 120.698 -0.898 1
1 492 . 13 1 1 A 45 45 HIS H H 45 6.380 8.228 -1.848 1
1 493 . 13 1 1 A 45 45 HIS HA H 45 3.770 4.284 -0.514 1
1 498 . 13 1 1 A 45 45 HIS CA C 45 58.500 59.560 -1.060 1
1 499 . 13 1 1 A 45 45 HIS CB C 45 31.600 30.184 1.416 1
1 502 . 13 1 1 A 45 45 HIS N N 45 114.500 116.982 -2.482 1
1 503 . 13 1 1 A 46 46 LEU H H 46 8.360 8.358 0.002 1
1 504 . 13 1 1 A 46 46 LEU HA H 46 3.660 3.203 0.457 1
1 514 . 13 1 1 A 46 46 LEU CA C 46 57.100 57.539 -0.439 1
1 515 . 13 1 1 A 46 46 LEU CB C 46 40.800 41.707 -0.907 1
1 519 . 13 1 1 A 46 46 LEU N N 46 121.100 120.574 0.526 1
1 520 . 13 1 1 A 47 47 GLY H H 47 8.440 7.998 0.442 1
1 521 . 13 1 1 A 47 47 GLY HA2 H 47 3.350 3.075 0.275 1
1 522 . 13 1 1 A 47 47 GLY HA3 H 47 3.530 3.652 -0.122 1
1 523 . 13 1 1 A 47 47 GLY CA C 47 47.200 46.819 0.381 1
1 524 . 13 1 1 A 47 47 GLY N N 47 106.500 105.979 0.521 1
1 525 . 13 1 1 A 48 48 LYS H H 48 7.970 7.583 0.387 1
1 526 . 13 1 1 A 48 48 LYS HA H 48 3.800 4.081 -0.281 1
1 535 . 13 1 1 A 48 48 LYS CA C 48 58.200 59.378 -1.178 1
1 536 . 13 1 1 A 48 48 LYS CB C 48 31.600 32.244 -0.644 1
1 540 . 13 1 1 A 48 48 LYS N N 48 120.500 121.799 -1.299 1
1 541 . 13 1 1 A 49 49 LEU H H 49 7.800 7.432 0.368 1
1 542 . 13 1 1 A 49 49 LEU HA H 49 4.170 3.900 0.270 1
1 552 . 13 1 1 A 49 49 LEU CA C 49 57.500 57.429 0.071 1
1 553 . 13 1 1 A 49 49 LEU CB C 49 41.000 41.628 -0.628 1
1 557 . 13 1 1 A 49 49 LEU N N 49 124.000 120.510 3.490 1
1 558 . 13 1 1 A 50 50 TYR H H 50 8.610 7.841 0.769 1
1 559 . 13 1 1 A 50 50 TYR HA H 50 4.420 4.395 0.025 1
1 566 . 13 1 1 A 50 50 TYR CA C 50 59.600 60.363 -0.763 1
1 567 . 13 1 1 A 50 50 TYR CB C 50 35.600 37.965 -2.365 1
1 570 . 13 1 1 A 50 50 TYR N N 50 119.000 118.868 0.132 1
1 571 . 13 1 1 A 51 51 GLU H H 51 8.410 8.790 -0.380 1
1 572 . 13 1 1 A 51 51 GLU HA H 51 3.760 4.114 -0.354 1
1 577 . 13 1 1 A 51 51 GLU CA C 51 61.600 60.165 1.435 1
1 578 . 13 1 1 A 51 51 GLU CB C 51 29.800 29.062 0.738 1
1 580 . 13 1 1 A 51 51 GLU N N 51 118.600 119.833 -1.233 1
1 581 . 13 1 1 A 52 52 ARG H H 52 7.910 7.700 0.210 1
1 582 . 13 1 1 A 52 52 ARG HA H 52 4.150 4.145 0.005 1
1 589 . 13 1 1 A 52 52 ARG CA C 52 58.600 58.452 0.148 1
1 590 . 13 1 1 A 52 52 ARG CB C 52 29.600 30.445 -0.845 1
1 593 . 13 1 1 A 52 52 ARG N N 52 122.200 120.180 2.020 1
1 594 . 13 1 1 A 53 53 LEU H H 53 7.740 7.379 0.361 1
1 595 . 13 1 1 A 53 53 LEU HA H 53 4.400 4.509 -0.109 1
1 605 . 13 1 1 A 53 53 LEU CA C 53 54.100 54.588 -0.488 1
1 606 . 13 1 1 A 53 53 LEU CB C 53 41.400 41.854 -0.454 1
1 610 . 13 1 1 A 53 53 LEU N N 53 119.400 118.040 1.360 1
1 611 . 13 1 1 A 54 54 ASP H H 54 8.090 8.301 -0.211 1
1 612 . 13 1 1 A 54 54 ASP HA H 54 4.410 4.460 -0.050 1
1 615 . 13 1 1 A 54 54 ASP CA C 54 55.500 55.689 -0.189 1
1 616 . 13 1 1 A 54 54 ASP CB C 54 38.900 40.827 -1.927 1
1 617 . 13 1 1 A 54 54 ASP N N 54 116.300 118.531 -2.231 1
1 618 . 13 1 1 A 55 55 ARG H H 55 8.420 8.224 0.196 1
1 619 . 13 1 1 A 55 55 ARG HA H 55 4.680 4.676 0.004 1
1 627 . 13 1 1 A 55 55 ARG CA C 55 54.000 54.885 -0.885 1
1 628 . 13 1 1 A 55 55 ARG CB C 55 29.800 28.997 0.803 1
1 631 . 13 1 1 A 55 55 ARG N N 55 120.800 119.431 1.369 1
1 633 . 13 1 1 A 56 56 THR H H 56 7.870 7.987 -0.117 1
1 634 . 13 1 1 A 56 56 THR HA H 56 3.510 3.987 -0.477 1
1 639 . 13 1 1 A 56 56 THR CA C 56 67.500 65.630 1.870 1
1 640 . 13 1 1 A 56 56 THR CB C 56 68.000 68.350 -0.350 1
1 642 . 13 1 1 A 56 56 THR N N 56 117.300 113.049 4.251 1
1 643 . 13 1 1 A 57 57 ASP H H 57 8.450 8.247 0.203 1
1 644 . 13 1 1 A 57 57 ASP HA H 57 4.260 4.263 -0.003 1
1 647 . 13 1 1 A 57 57 ASP CA C 57 57.900 58.011 -0.111 1
1 648 . 13 1 1 A 57 57 ASP CB C 57 39.100 42.280 -3.180 1
1 649 . 13 1 1 A 57 57 ASP N N 57 120.300 121.994 -1.694 1
1 650 . 13 1 1 A 58 58 ASP H H 58 7.540 7.761 -0.221 1
1 651 . 13 1 1 A 58 58 ASP HA H 58 4.170 4.168 0.002 1
1 654 . 13 1 1 A 58 58 ASP CA C 58 56.900 56.828 0.072 1
1 655 . 13 1 1 A 58 58 ASP CB C 58 38.400 39.702 -1.302 1
1 656 . 13 1 1 A 58 58 ASP N N 58 120.200 118.599 1.601 1
1 657 . 13 1 1 A 59 59 ALA H H 59 8.110 7.948 0.162 1
1 658 . 13 1 1 A 59 59 ALA HA H 59 3.760 4.052 -0.292 1
1 662 . 13 1 1 A 59 59 ALA CA C 59 56.000 55.066 0.934 1
1 663 . 13 1 1 A 59 59 ALA CB C 59 19.200 18.705 0.495 1
1 664 . 13 1 1 A 59 59 ALA N N 59 124.700 121.965 2.735 1
1 665 . 13 1 1 A 60 60 ILE H H 60 8.230 8.530 -0.300 1
1 666 . 13 1 1 A 60 60 ILE HA H 60 3.520 3.871 -0.351 1
1 676 . 13 1 1 A 60 60 ILE CA C 60 66.800 64.951 1.849 1
1 677 . 13 1 1 A 60 60 ILE CB C 60 38.400 37.706 0.694 1
1 681 . 13 1 1 A 60 60 ILE N N 60 117.600 117.999 -0.399 1
1 682 . 13 1 1 A 61 61 ASP H H 61 7.750 7.961 -0.211 1
1 683 . 13 1 1 A 61 61 ASP HA H 61 4.440 4.298 0.142 1
1 686 . 13 1 1 A 61 61 ASP CA C 61 57.100 57.448 -0.348 1
1 687 . 13 1 1 A 61 61 ASP CB C 61 40.500 41.107 -0.607 1
1 688 . 13 1 1 A 61 61 ASP N N 61 118.300 120.269 -1.969 1
1 689 . 13 1 1 A 62 62 THR H H 62 8.040 8.227 -0.187 1
1 690 . 13 1 1 A 62 62 THR HA H 62 4.070 4.016 0.054 1
1 695 . 13 1 1 A 62 62 THR CA C 62 68.000 66.677 1.323 1
1 696 . 13 1 1 A 62 62 THR CB C 62 68.600 68.443 0.157 1
1 698 . 13 1 1 A 62 62 THR N N 62 119.800 115.675 4.125 1
1 699 . 13 1 1 A 63 63 TYR H H 63 8.970 8.172 0.798 1
1 700 . 13 1 1 A 63 63 TYR HA H 63 4.480 4.358 0.122 1
1 707 . 13 1 1 A 63 63 TYR CA C 63 59.200 60.998 -1.798 1
1 708 . 13 1 1 A 63 63 TYR CB C 63 37.700 37.373 0.327 1
1 711 . 13 1 1 A 63 63 TYR N N 63 121.700 120.985 0.715 1
1 712 . 13 1 1 A 64 64 ALA H H 64 8.690 8.347 0.343 1
1 713 . 13 1 1 A 64 64 ALA HA H 64 4.000 4.116 -0.116 1
1 717 . 13 1 1 A 64 64 ALA CA C 64 55.500 55.288 0.212 1
1 718 . 13 1 1 A 64 64 ALA CB C 64 17.800 18.325 -0.525 1
1 719 . 13 1 1 A 64 64 ALA N N 64 119.400 122.544 -3.144 1
1 720 . 13 1 1 A 65 65 GLN H H 65 8.100 7.909 0.191 1
1 721 . 13 1 1 A 65 65 GLN HA H 65 4.010 3.947 0.063 1
1 728 . 13 1 1 A 65 65 GLN CA C 65 58.600 59.047 -0.447 1
1 729 . 13 1 1 A 65 65 GLN CB C 65 28.500 27.935 0.565 1
1 731 . 13 1 1 A 65 65 GLN N N 65 119.600 118.133 1.467 1
1 733 . 13 1 1 A 66 66 GLY H H 66 8.430 8.318 0.112 1
1 734 . 13 1 1 A 66 66 GLY HA2 H 66 3.080 3.111 -0.031 1
1 735 . 13 1 1 A 66 66 GLY HA3 H 66 2.520 3.586 -1.066 1
1 736 . 13 1 1 A 66 66 GLY CA C 66 46.800 47.189 -0.389 1
1 737 . 13 1 1 A 66 66 GLY N N 66 108.200 106.684 1.516 1
1 738 . 13 1 1 A 67 67 ILE H H 67 8.570 8.477 0.093 1
1 739 . 13 1 1 A 67 67 ILE HA H 67 3.320 3.839 -0.519 1
1 749 . 13 1 1 A 67 67 ILE CA C 67 65.900 64.210 1.690 1
1 750 . 13 1 1 A 67 67 ILE CB C 67 38.400 37.545 0.855 1
1 754 . 13 1 1 A 67 67 ILE N N 67 123.500 122.238 1.262 1
1 755 . 13 1 1 A 68 68 GLU H H 68 7.030 7.709 -0.679 1
1 756 . 13 1 1 A 68 68 GLU HA H 68 3.960 4.041 -0.081 1
1 761 . 13 1 1 A 68 68 GLU CA C 68 58.700 59.325 -0.625 1
1 762 . 13 1 1 A 68 68 GLU CB C 68 28.500 29.359 -0.859 1
1 764 . 13 1 1 A 68 68 GLU N N 68 116.500 120.540 -4.040 1
1 765 . 13 1 1 A 69 69 VAL H H 69 7.440 7.587 -0.147 1
1 766 . 13 1 1 A 69 69 VAL HA H 69 3.740 3.856 -0.116 1
1 774 . 13 1 1 A 69 69 VAL CA C 69 65.700 64.443 1.257 1
1 775 . 13 1 1 A 69 69 VAL CB C 69 32.000 31.240 0.760 1
1 778 . 13 1 1 A 69 69 VAL N N 69 119.500 116.220 3.280 1
1 779 . 13 1 1 A 70 70 ALA H H 70 9.290 8.219 1.071 1
1 780 . 13 1 1 A 70 70 ALA HA H 70 3.820 4.012 -0.192 1
1 784 . 13 1 1 A 70 70 ALA CA C 70 54.400 55.560 -1.160 1
1 785 . 13 1 1 A 70 70 ALA CB C 70 18.000 18.140 -0.140 1
1 786 . 13 1 1 A 70 70 ALA N N 70 122.500 124.172 -1.672 1
1 787 . 13 1 1 A 71 71 ARG H H 71 8.280 8.034 0.246 1
1 788 . 13 1 1 A 71 71 ARG HA H 71 3.870 4.050 -0.180 1
1 796 . 13 1 1 A 71 71 ARG CA C 71 59.500 58.997 0.503 1
1 797 . 13 1 1 A 71 71 ARG CB C 71 30.000 29.904 0.096 1
1 800 . 13 1 1 A 71 71 ARG N N 71 116.900 117.063 -0.163 1
1 802 . 13 1 1 A 72 72 GLU H H 72 7.390 8.232 -0.842 1
1 803 . 13 1 1 A 72 72 GLU HA H 72 4.300 4.253 0.047 1
1 808 . 13 1 1 A 72 72 GLU CA C 72 57.700 58.674 -0.974 1
1 809 . 13 1 1 A 72 72 GLU CB C 72 30.500 30.535 -0.035 1
1 811 . 13 1 1 A 72 72 GLU N N 72 116.800 118.641 -1.841 1
1 812 . 13 1 1 A 73 73 GLU H H 73 8.490 8.272 0.218 1
1 813 . 13 1 1 A 73 73 GLU HA H 73 4.550 4.286 0.264 1
1 818 . 13 1 1 A 73 73 GLU CA C 73 55.900 58.310 -2.410 1
1 819 . 13 1 1 A 73 73 GLU CB C 73 30.800 30.054 0.746 1
1 821 . 13 1 1 A 73 73 GLU N N 73 115.000 118.205 -3.205 1
1 822 . 13 1 1 A 74 74 GLY H H 74 8.070 8.048 0.022 1
1 823 . 13 1 1 A 74 74 GLY HA2 H 74 4.450 4.065 0.385 1
1 824 . 13 1 1 A 74 74 GLY HA3 H 74 3.830 4.073 -0.243 1
1 825 . 13 1 1 A 74 74 GLY CA C 74 44.600 44.489 0.111 1
1 826 . 13 1 1 A 74 74 GLY N N 74 108.100 108.645 -0.545 1
1 827 . 13 1 1 A 75 75 THR H H 75 8.760 8.247 0.513 1
1 828 . 13 1 1 A 75 75 THR HA H 75 4.670 4.884 -0.214 1
1 833 . 13 1 1 A 75 75 THR CA C 75 59.000 60.200 -1.200 1
1 834 . 13 1 1 A 75 75 THR CB C 75 70.900 70.713 0.187 1
1 836 . 13 1 1 A 75 75 THR N N 75 111.400 115.726 -4.326 1
1 837 . 13 1 1 A 76 76 GLN H H 76 8.710 8.770 -0.060 1
1 838 . 13 1 1 A 76 76 GLN HA H 76 3.940 3.964 -0.024 1
1 845 . 13 1 1 A 76 76 GLN CA C 76 58.700 59.151 -0.451 1
1 846 . 13 1 1 A 76 76 GLN CB C 76 27.900 28.379 -0.479 1
1 848 . 13 1 1 A 76 76 GLN N N 76 123.100 125.569 -2.469 1
1 850 . 13 1 1 A 77 77 LYS H H 77 8.240 8.132 0.108 1
1 851 . 13 1 1 A 77 77 LYS HA H 77 4.000 4.028 -0.028 1
1 860 . 13 1 1 A 77 77 LYS CA C 77 59.200 59.694 -0.494 1
1 861 . 13 1 1 A 77 77 LYS CB C 77 31.900 32.331 -0.431 1
1 865 . 13 1 1 A 77 77 LYS N N 77 121.000 118.623 2.377 1
1 866 . 13 1 1 A 78 78 ASP H H 78 7.390 8.121 -0.731 1
1 867 . 13 1 1 A 78 78 ASP HA H 78 4.170 4.483 -0.313 1
1 870 . 13 1 1 A 78 78 ASP CA C 78 57.000 57.251 -0.251 1
1 871 . 13 1 1 A 78 78 ASP CB C 78 41.400 40.567 0.833 1
1 872 . 13 1 1 A 78 78 ASP N N 78 117.800 119.812 -2.012 1
1 873 . 13 1 1 A 79 79 LEU H H 79 7.690 7.839 -0.149 1
1 874 . 13 1 1 A 79 79 LEU HA H 79 3.770 4.079 -0.309 1
1 884 . 13 1 1 A 79 79 LEU CA C 79 58.100 58.216 -0.116 1
1 885 . 13 1 1 A 79 79 LEU CB C 79 42.100 41.360 0.740 1
1 889 . 13 1 1 A 79 79 LEU N N 79 118.400 122.764 -4.364 1
1 890 . 13 1 1 A 80 80 SER H H 80 8.400 8.199 0.201 1
1 891 . 13 1 1 A 80 80 SER HA H 80 4.170 4.134 0.036 1
1 894 . 13 1 1 A 80 80 SER CA C 80 61.500 61.420 0.080 1
1 895 . 13 1 1 A 80 80 SER CB C 80 62.500 62.805 -0.305 1
1 896 . 13 1 1 A 80 80 SER N N 80 114.000 114.417 -0.417 1
1 897 . 13 1 1 A 81 81 GLU H H 81 7.930 7.822 0.108 1
1 898 . 13 1 1 A 81 81 GLU HA H 81 4.030 4.106 -0.076 1
1 903 . 13 1 1 A 81 81 GLU CA C 81 59.000 59.286 -0.286 1
1 904 . 13 1 1 A 81 81 GLU CB C 81 29.000 29.245 -0.245 1
1 906 . 13 1 1 A 81 81 GLU N N 81 121.000 122.237 -1.237 1
1 907 . 13 1 1 A 82 82 LEU H H 82 7.870 8.626 -0.756 1
1 908 . 13 1 1 A 82 82 LEU HA H 82 3.890 3.981 -0.091 1
1 918 . 13 1 1 A 82 82 LEU CA C 82 57.900 57.888 0.012 1
1 919 . 13 1 1 A 82 82 LEU CB C 82 43.900 41.514 2.386 1
1 923 . 13 1 1 A 82 82 LEU N N 82 120.900 120.128 0.772 1
1 924 . 13 1 1 A 83 83 GLN H H 83 8.520 8.127 0.393 1
1 925 . 13 1 1 A 83 83 GLN HA H 83 3.900 3.873 0.027 1
1 932 . 13 1 1 A 83 83 GLN CA C 83 59.200 58.953 0.247 1
1 933 . 13 1 1 A 83 83 GLN CB C 83 28.300 28.323 -0.023 1
1 935 . 13 1 1 A 83 83 GLN N N 83 118.300 118.508 -0.208 1
1 937 . 13 1 1 A 84 84 ASP H H 84 8.140 8.372 -0.232 1
1 938 . 13 1 1 A 84 84 ASP HA H 84 4.340 4.337 0.003 1
1 941 . 13 1 1 A 84 84 ASP CA C 84 57.100 57.608 -0.508 1
1 942 . 13 1 1 A 84 84 ASP CB C 84 41.000 41.609 -0.609 1
1 943 . 13 1 1 A 84 84 ASP N N 84 119.700 119.557 0.143 1
1 944 . 13 1 1 A 85 85 ALA H H 85 7.740 8.358 -0.618 1
1 945 . 13 1 1 A 85 85 ALA HA H 85 3.810 3.829 -0.019 1
1 949 . 13 1 1 A 85 85 ALA CA C 85 54.600 55.152 -0.552 1
1 950 . 13 1 1 A 85 85 ALA CB C 85 16.200 17.981 -1.781 1
1 951 . 13 1 1 A 85 85 ALA N N 85 121.600 121.378 0.222 1
1 952 . 13 1 1 A 86 86 LYS H H 86 8.070 7.407 0.663 1
1 953 . 13 1 1 A 86 86 LYS HA H 86 3.810 3.969 -0.159 1
1 962 . 13 1 1 A 86 86 LYS CA C 86 60.600 58.990 1.610 1
1 963 . 13 1 1 A 86 86 LYS CB C 86 33.300 31.945 1.355 1
1 967 . 13 1 1 A 86 86 LYS N N 86 120.200 116.305 3.895 1
1 968 . 13 1 1 A 87 87 LEU H H 87 7.780 8.147 -0.367 1
1 969 . 13 1 1 A 87 87 LEU HA H 87 4.160 3.988 0.172 1
1 979 . 13 1 1 A 87 87 LEU CA C 87 57.500 58.053 -0.553 1
1 980 . 13 1 1 A 87 87 LEU CB C 87 41.900 41.509 0.391 1
1 984 . 13 1 1 A 87 87 LEU N N 87 118.400 121.258 -2.858 1
1 985 . 13 1 1 A 88 88 LYS H H 88 7.900 8.103 -0.203 1
1 986 . 13 1 1 A 88 88 LYS HA H 88 3.960 3.977 -0.017 1
1 995 . 13 1 1 A 88 88 LYS CA C 88 59.200 58.906 0.294 1
1 996 . 13 1 1 A 88 88 LYS CB C 88 32.000 32.125 -0.125 1
1 1000 . 13 1 1 A 88 88 LYS N N 88 118.700 117.370 1.330 1
1 1001 . 13 1 1 A 89 89 ALA H H 89 8.000 8.139 -0.139 1
1 1002 . 13 1 1 A 89 89 ALA HA H 89 4.150 3.908 0.242 1
1 1006 . 13 1 1 A 89 89 ALA CA C 89 54.500 54.870 -0.370 1
1 1007 . 13 1 1 A 89 89 ALA CB C 89 17.800 18.355 -0.555 1
1 1008 . 13 1 1 A 89 89 ALA N N 89 122.400 121.667 0.733 1
1 1009 . 13 1 1 A 90 90 GLU H H 90 8.300 8.333 -0.033 1
1 1010 . 13 1 1 A 90 90 GLU HA H 90 3.930 3.971 -0.041 1
1 1015 . 13 1 1 A 90 90 GLU CA C 90 58.000 59.275 -1.275 1
1 1016 . 13 1 1 A 90 90 GLU CB C 90 29.700 29.322 0.378 1
1 1018 . 13 1 1 A 90 90 GLU N N 90 116.700 117.570 -0.870 1
1 1019 . 13 1 1 A 91 91 GLY H H 91 7.710 7.903 -0.193 1
1 1020 . 13 1 1 A 91 91 GLY HA2 H 91 4.070 3.663 0.407 1
1 1021 . 13 1 1 A 91 91 GLY HA3 H 91 3.870 3.673 0.197 1
1 1022 . 13 1 1 A 91 91 GLY CA C 91 45.500 46.596 -1.096 1
1 1023 . 13 1 1 A 91 91 GLY N N 91 106.000 109.823 -3.823 1
1 1024 . 13 1 1 A 92 92 LEU H H 92 7.640 7.584 0.056 1
1 1025 . 13 1 1 A 92 92 LEU HA H 92 4.270 3.893 0.377 1
1 1035 . 13 1 1 A 92 92 LEU CA C 92 55.200 57.749 -2.549 1
1 1036 . 13 1 1 A 92 92 LEU CB C 92 42.100 41.962 0.138 1
1 1040 . 13 1 1 A 92 92 LEU N N 92 121.200 122.632 -1.432 1
1 1041 . 13 1 1 A 93 93 GLU H H 93 8.290 7.483 0.807 1
1 1042 . 13 1 1 A 93 93 GLU HA H 93 4.130 4.608 -0.478 1
1 1047 . 13 1 1 A 93 93 GLU CA C 93 56.700 55.248 1.452 1
1 1048 . 13 1 1 A 93 93 GLU CB C 93 29.700 31.436 -1.736 1
1 1050 . 13 1 1 A 93 93 GLU N N 93 120.200 112.505 7.695 1
1 1051 . 13 1 1 A 94 94 HIS H H 94 8.260 8.768 -0.508 1
1 1052 . 13 1 1 A 94 94 HIS HA H 94 4.560 5.072 -0.512 1
1 1055 . 13 1 1 A 94 94 HIS CA C 94 55.400 53.737 1.663 1
1 1056 . 13 1 1 A 94 94 HIS CB C 94 29.700 30.203 -0.503 1
1 1057 . 13 1 1 A 94 94 HIS N N 94 118.900 116.401 2.499 1
1 1058 . 13 1 1 A 95 95 HIS H H 95 8.170 8.405 -0.235 1
1 1059 . 13 1 1 A 95 95 HIS HA H 95 4.410 4.221 0.189 1
1 1062 . 13 1 1 A 95 95 HIS CA C 95 57.000 56.653 0.347 1
1 1063 . 13 1 1 A 95 95 HIS CB C 95 30.000 29.256 0.744 1
1 9 . 14 1 1 A 2 2 ASP H H 2 8.560 8.691 -0.131 1
1 10 . 14 1 1 A 2 2 ASP HA H 2 4.850 5.108 -0.258 1
1 13 . 14 1 1 A 2 2 ASP CA C 2 52.200 51.721 0.479 1
1 14 . 14 1 1 A 2 2 ASP CB C 2 40.900 43.494 -2.594 1
1 15 . 14 1 1 A 2 2 ASP N N 2 123.000 126.080 -3.080 1
1 16 . 14 1 1 A 3 3 PRO HA H 3 4.380 4.265 0.115 1
1 23 . 14 1 1 A 3 3 PRO CA C 3 63.500 64.422 -0.922 1
1 24 . 14 1 1 A 3 3 PRO CB C 3 32.100 32.011 0.089 1
1 27 . 14 1 1 A 4 4 GLU H H 4 8.410 8.400 0.010 1
1 28 . 14 1 1 A 4 4 GLU HA H 4 4.250 4.160 0.090 1
1 33 . 14 1 1 A 4 4 GLU CA C 4 55.900 57.413 -1.513 1
1 34 . 14 1 1 A 4 4 GLU CB C 4 30.100 30.031 0.069 1
1 36 . 14 1 1 A 4 4 GLU N N 4 118.300 116.946 1.354 1
1 37 . 14 1 1 A 5 5 ASP H H 5 8.030 7.748 0.282 1
1 38 . 14 1 1 A 5 5 ASP HA H 5 4.730 4.722 0.008 1
1 41 . 14 1 1 A 5 5 ASP CA C 5 52.600 52.312 0.288 1
1 42 . 14 1 1 A 5 5 ASP CB C 5 41.700 40.593 1.107 1
1 43 . 14 1 1 A 5 5 ASP N N 5 123.700 120.562 3.138 1
1 44 . 14 1 1 A 6 6 PRO HA H 6 3.940 4.201 -0.261 1
1 51 . 14 1 1 A 6 6 PRO CA C 6 64.900 65.630 -0.730 1
1 52 . 14 1 1 A 6 6 PRO CB C 6 31.000 31.278 -0.278 1
1 55 . 14 1 1 A 7 7 PHE H H 7 8.130 7.721 0.409 1
1 56 . 14 1 1 A 7 7 PHE HA H 7 4.220 4.154 0.066 1
1 64 . 14 1 1 A 7 7 PHE CA C 7 60.800 61.692 -0.892 1
1 65 . 14 1 1 A 7 7 PHE CB C 7 38.300 39.602 -1.302 1
1 69 . 14 1 1 A 7 7 PHE N N 7 117.200 118.595 -1.395 1
1 70 . 14 1 1 A 8 8 THR H H 8 7.830 8.004 -0.174 1
1 71 . 14 1 1 A 8 8 THR HA H 8 3.710 3.820 -0.110 1
1 76 . 14 1 1 A 8 8 THR CA C 8 66.200 66.864 -0.664 1
1 77 . 14 1 1 A 8 8 THR CB C 8 68.300 68.706 -0.406 1
1 79 . 14 1 1 A 8 8 THR N N 8 115.700 114.964 0.736 1
1 80 . 14 1 1 A 9 9 ARG H H 9 7.300 8.411 -1.111 1
1 81 . 14 1 1 A 9 9 ARG HA H 9 3.840 3.991 -0.151 1
1 89 . 14 1 1 A 9 9 ARG CA C 9 59.700 58.629 1.071 1
1 90 . 14 1 1 A 9 9 ARG CB C 9 30.400 29.971 0.429 1
1 93 . 14 1 1 A 9 9 ARG N N 9 121.400 120.179 1.221 1
1 95 . 14 1 1 A 10 10 TYR H H 10 8.480 8.405 0.075 1
1 96 . 14 1 1 A 10 10 TYR HA H 10 3.800 4.060 -0.260 1
1 103 . 14 1 1 A 10 10 TYR CA C 10 61.400 61.747 -0.347 1
1 104 . 14 1 1 A 10 10 TYR CB C 10 38.300 38.756 -0.456 1
1 107 . 14 1 1 A 10 10 TYR N N 10 121.700 121.580 0.120 1
1 108 . 14 1 1 A 11 11 ALA H H 11 8.500 8.318 0.182 1
1 109 . 14 1 1 A 11 11 ALA HA H 11 3.700 3.772 -0.072 1
1 113 . 14 1 1 A 11 11 ALA CA C 11 54.400 54.994 -0.594 1
1 114 . 14 1 1 A 11 11 ALA CB C 11 17.300 17.717 -0.417 1
1 115 . 14 1 1 A 11 11 ALA N N 11 121.700 121.616 0.084 1
1 116 . 14 1 1 A 12 12 LEU H H 12 7.690 8.205 -0.515 1
1 117 . 14 1 1 A 12 12 LEU HA H 12 3.920 3.758 0.162 1
1 127 . 14 1 1 A 12 12 LEU CA C 12 57.100 57.781 -0.681 1
1 128 . 14 1 1 A 12 12 LEU CB C 12 41.500 41.432 0.068 1
1 132 . 14 1 1 A 12 12 LEU N N 12 120.900 118.426 2.474 1
1 133 . 14 1 1 A 13 13 ALA H H 13 8.010 8.155 -0.145 1
1 134 . 14 1 1 A 13 13 ALA HA H 13 3.500 3.878 -0.378 1
1 138 . 14 1 1 A 13 13 ALA CA C 13 55.400 55.413 -0.013 1
1 139 . 14 1 1 A 13 13 ALA CB C 13 17.400 17.603 -0.203 1
1 140 . 14 1 1 A 13 13 ALA N N 13 123.000 121.677 1.323 1
1 141 . 14 1 1 A 14 14 GLN H H 14 7.660 7.858 -0.198 1
1 142 . 14 1 1 A 14 14 GLN HA H 14 3.910 3.875 0.035 1
1 149 . 14 1 1 A 14 14 GLN CA C 14 58.200 59.040 -0.840 1
1 150 . 14 1 1 A 14 14 GLN CB C 14 27.700 28.127 -0.427 1
1 152 . 14 1 1 A 14 14 GLN N N 14 114.000 116.895 -2.895 1
1 154 . 14 1 1 A 15 15 GLU H H 15 7.900 8.002 -0.102 1
1 155 . 14 1 1 A 15 15 GLU HA H 15 3.900 3.752 0.148 1
1 160 . 14 1 1 A 15 15 GLU CA C 15 58.800 59.005 -0.205 1
1 161 . 14 1 1 A 15 15 GLU CB C 15 28.600 29.254 -0.654 1
1 163 . 14 1 1 A 15 15 GLU N N 15 122.400 120.472 1.928 1
1 164 . 14 1 1 A 16 16 HIS H H 16 8.220 7.840 0.380 1
1 165 . 14 1 1 A 16 16 HIS HA H 16 4.520 4.255 0.265 1
1 170 . 14 1 1 A 16 16 HIS CA C 16 59.700 59.194 0.506 1
1 171 . 14 1 1 A 16 16 HIS CB C 16 29.600 30.016 -0.416 1
1 174 . 14 1 1 A 16 16 HIS N N 16 119.100 118.815 0.285 1
1 175 . 14 1 1 A 17 17 LEU H H 17 8.090 8.607 -0.517 1
1 176 . 14 1 1 A 17 17 LEU HA H 17 3.870 3.836 0.034 1
1 186 . 14 1 1 A 17 17 LEU CA C 17 57.900 58.129 -0.229 1
1 187 . 14 1 1 A 17 17 LEU CB C 17 41.400 41.525 -0.125 1
1 191 . 14 1 1 A 17 17 LEU N N 17 120.500 119.850 0.650 1
1 192 . 14 1 1 A 18 18 LYS H H 18 7.960 8.133 -0.173 1
1 193 . 14 1 1 A 18 18 LYS HA H 18 4.030 4.101 -0.071 1
1 202 . 14 1 1 A 18 18 LYS CA C 18 58.400 58.830 -0.430 1
1 203 . 14 1 1 A 18 18 LYS CB C 18 31.800 32.217 -0.417 1
1 207 . 14 1 1 A 18 18 LYS N N 18 121.000 117.217 3.783 1
1 208 . 14 1 1 A 19 19 HIS H H 19 7.410 7.651 -0.241 1
1 209 . 14 1 1 A 19 19 HIS HA H 19 4.720 4.596 0.124 1
1 213 . 14 1 1 A 19 19 HIS CA C 19 54.700 55.616 -0.916 1
1 214 . 14 1 1 A 19 19 HIS CB C 19 28.500 29.811 -1.311 1
1 216 . 14 1 1 A 19 19 HIS N N 19 115.800 115.166 0.634 1
1 217 . 14 1 1 A 20 20 ASP H H 20 8.010 7.968 0.042 1
1 218 . 14 1 1 A 20 20 ASP HA H 20 4.370 4.198 0.172 1
1 221 . 14 1 1 A 20 20 ASP CA C 20 55.600 55.606 -0.006 1
1 222 . 14 1 1 A 20 20 ASP CB C 20 39.600 40.653 -1.053 1
1 223 . 14 1 1 A 20 20 ASP N N 20 115.900 118.111 -2.211 1
1 224 . 14 1 1 A 21 21 ASN H H 21 8.450 8.371 0.079 1
1 225 . 14 1 1 A 21 21 ASN HA H 21 5.130 5.015 0.115 1
1 230 . 14 1 1 A 21 21 ASN CA C 21 50.600 52.059 -1.459 1
1 231 . 14 1 1 A 21 21 ASN CB C 21 37.000 36.519 0.481 1
1 232 . 14 1 1 A 21 21 ASN N N 21 118.700 119.027 -0.327 1
1 234 . 14 1 1 A 22 22 ALA H H 22 8.010 8.308 -0.298 1
1 235 . 14 1 1 A 22 22 ALA HA H 22 3.840 4.005 -0.165 1
1 239 . 14 1 1 A 22 22 ALA CA C 22 55.300 55.279 0.021 1
1 240 . 14 1 1 A 22 22 ALA CB C 22 18.300 18.527 -0.227 1
1 241 . 14 1 1 A 22 22 ALA N N 22 123.300 125.674 -2.374 1
1 242 . 14 1 1 A 23 23 SER H H 23 8.670 8.040 0.630 1
1 243 . 14 1 1 A 23 23 SER HA H 23 4.070 4.102 -0.032 1
1 246 . 14 1 1 A 23 23 SER CA C 23 61.800 61.234 0.566 1
1 247 . 14 1 1 A 23 23 SER CB C 23 61.900 63.007 -1.107 1
1 248 . 14 1 1 A 23 23 SER N N 23 112.500 112.748 -0.248 1
1 249 . 14 1 1 A 24 24 ARG H H 24 7.230 7.927 -0.697 1
1 250 . 14 1 1 A 24 24 ARG HA H 24 3.960 3.871 0.089 1
1 257 . 14 1 1 A 24 24 ARG CA C 24 57.000 59.578 -2.578 1
1 258 . 14 1 1 A 24 24 ARG CB C 24 29.100 29.905 -0.805 1
1 261 . 14 1 1 A 24 24 ARG N N 24 122.300 121.892 0.408 1
1 262 . 14 1 1 A 25 25 ALA H H 25 7.340 7.785 -0.445 1
1 263 . 14 1 1 A 25 25 ALA HA H 25 3.570 3.889 -0.319 1
1 267 . 14 1 1 A 25 25 ALA CA C 25 55.300 54.883 0.417 1
1 268 . 14 1 1 A 25 25 ALA CB C 25 18.700 17.970 0.730 1
1 269 . 14 1 1 A 25 25 ALA N N 25 120.200 121.606 -1.406 1
1 270 . 14 1 1 A 26 26 LEU H H 26 8.420 8.281 0.139 1
1 271 . 14 1 1 A 26 26 LEU HA H 26 3.800 4.213 -0.413 1
1 281 . 14 1 1 A 26 26 LEU CA C 26 58.300 57.882 0.418 1
1 282 . 14 1 1 A 26 26 LEU CB C 26 41.800 41.459 0.341 1
1 286 . 14 1 1 A 26 26 LEU N N 26 116.500 120.297 -3.797 1
1 287 . 14 1 1 A 27 27 ALA H H 27 7.190 8.359 -1.169 1
1 288 . 14 1 1 A 27 27 ALA HA H 27 4.120 4.018 0.102 1
1 292 . 14 1 1 A 27 27 ALA CA C 27 54.700 55.177 -0.477 1
1 293 . 14 1 1 A 27 27 ALA CB C 27 18.000 18.248 -0.248 1
1 294 . 14 1 1 A 27 27 ALA N N 27 118.200 120.556 -2.356 1
1 295 . 14 1 1 A 28 28 LEU H H 28 7.500 7.731 -0.231 1
1 296 . 14 1 1 A 28 28 LEU HA H 28 4.070 3.912 0.158 1
1 306 . 14 1 1 A 28 28 LEU CA C 28 57.600 57.918 -0.318 1
1 307 . 14 1 1 A 28 28 LEU CB C 28 43.100 41.864 1.236 1
1 311 . 14 1 1 A 28 28 LEU N N 28 118.300 119.808 -1.508 1
1 312 . 14 1 1 A 29 29 PHE H H 29 8.690 8.127 0.563 1
1 313 . 14 1 1 A 29 29 PHE HA H 29 4.630 4.264 0.366 1
1 321 . 14 1 1 A 29 29 PHE CA C 29 58.700 60.711 -2.011 1
1 322 . 14 1 1 A 29 29 PHE CB C 29 40.300 38.258 2.042 1
1 326 . 14 1 1 A 29 29 PHE N N 29 119.000 117.887 1.113 1
1 327 . 14 1 1 A 30 30 GLU H H 30 8.990 8.697 0.293 1
1 328 . 14 1 1 A 30 30 GLU HA H 30 3.790 3.980 -0.190 1
1 333 . 14 1 1 A 30 30 GLU CA C 30 60.100 59.847 0.253 1
1 334 . 14 1 1 A 30 30 GLU CB C 30 29.100 29.206 -0.106 1
1 336 . 14 1 1 A 30 30 GLU N N 30 117.400 118.375 -0.975 1
1 337 . 14 1 1 A 31 31 GLU H H 31 7.830 7.832 -0.002 1
1 338 . 14 1 1 A 31 31 GLU HA H 31 4.160 4.199 -0.039 1
1 343 . 14 1 1 A 31 31 GLU CA C 31 58.800 58.912 -0.112 1
1 344 . 14 1 1 A 31 31 GLU CB C 31 29.900 29.162 0.738 1
1 346 . 14 1 1 A 31 31 GLU N N 31 119.500 119.250 0.250 1
1 347 . 14 1 1 A 32 32 LEU H H 32 7.920 8.255 -0.335 1
1 348 . 14 1 1 A 32 32 LEU HA H 32 4.130 4.293 -0.163 1
1 358 . 14 1 1 A 32 32 LEU CA C 32 58.200 58.095 0.105 1
1 359 . 14 1 1 A 32 32 LEU CB C 32 43.000 41.569 1.431 1
1 363 . 14 1 1 A 32 32 LEU N N 32 122.000 120.668 1.332 1
1 364 . 14 1 1 A 33 33 VAL H H 33 7.460 7.838 -0.378 1
1 365 . 14 1 1 A 33 33 VAL HA H 33 3.590 3.375 0.215 1
1 373 . 14 1 1 A 33 33 VAL CA C 33 65.800 66.813 -1.013 1
1 374 . 14 1 1 A 33 33 VAL CB C 33 31.500 31.046 0.454 1
1 377 . 14 1 1 A 33 33 VAL N N 33 116.000 119.619 -3.619 1
1 378 . 14 1 1 A 34 34 GLU H H 34 7.210 8.528 -1.318 1
1 379 . 14 1 1 A 34 34 GLU HA H 34 4.130 4.149 -0.019 1
1 384 . 14 1 1 A 34 34 GLU CA C 34 58.500 59.051 -0.551 1
1 385 . 14 1 1 A 34 34 GLU CB C 34 29.900 29.149 0.751 1
1 387 . 14 1 1 A 34 34 GLU N N 34 117.400 119.687 -2.287 1
1 388 . 14 1 1 A 35 35 THR H H 35 9.100 7.603 1.497 1
1 389 . 14 1 1 A 35 35 THR HA H 35 4.180 4.139 0.041 1
1 394 . 14 1 1 A 35 35 THR CA C 35 63.900 64.921 -1.021 1
1 395 . 14 1 1 A 35 35 THR CB C 35 69.300 68.776 0.524 1
1 397 . 14 1 1 A 35 35 THR N N 35 109.900 111.588 -1.688 1
1 398 . 14 1 1 A 36 36 ASP H H 36 8.630 8.192 0.438 1
1 399 . 14 1 1 A 36 36 ASP HA H 36 5.300 5.126 0.174 1
1 402 . 14 1 1 A 36 36 ASP CA C 36 52.700 51.586 1.114 1
1 403 . 14 1 1 A 36 36 ASP CB C 36 42.400 41.484 0.916 1
1 404 . 14 1 1 A 36 36 ASP N N 36 122.800 120.339 2.461 1
1 405 . 14 1 1 A 37 37 PRO HA H 37 4.560 4.733 -0.173 1
1 412 . 14 1 1 A 37 37 PRO CA C 37 64.400 64.517 -0.117 1
1 413 . 14 1 1 A 37 37 PRO CB C 37 31.100 32.123 -1.023 1
1 416 . 14 1 1 A 38 38 ASP H H 38 8.630 8.576 0.054 1
1 417 . 14 1 1 A 38 38 ASP HA H 38 4.570 4.699 -0.129 1
1 420 . 14 1 1 A 38 38 ASP CA C 38 53.800 54.880 -1.080 1
1 421 . 14 1 1 A 38 38 ASP CB C 38 39.500 40.107 -0.607 1
1 422 . 14 1 1 A 38 38 ASP N N 38 113.700 115.790 -2.090 1
1 423 . 14 1 1 A 39 39 TYR H H 39 8.110 7.827 0.283 1
1 424 . 14 1 1 A 39 39 TYR HA H 39 4.540 4.690 -0.150 1
1 431 . 14 1 1 A 39 39 TYR CA C 39 58.500 56.219 2.281 1
1 432 . 14 1 1 A 39 39 TYR CB C 39 36.500 37.121 -0.621 1
1 435 . 14 1 1 A 39 39 TYR N N 39 123.700 121.974 1.726 1
1 436 . 14 1 1 A 40 40 VAL H H 40 7.880 8.007 -0.127 1
1 437 . 14 1 1 A 40 40 VAL HA H 40 3.770 3.932 -0.162 1
1 445 . 14 1 1 A 40 40 VAL CA C 40 65.000 66.358 -1.358 1
1 446 . 14 1 1 A 40 40 VAL CB C 40 32.500 31.490 1.010 1
1 449 . 14 1 1 A 40 40 VAL N N 40 128.100 125.656 2.444 1
1 450 . 14 1 1 A 41 41 GLY H H 41 7.530 7.934 -0.404 1
1 451 . 14 1 1 A 41 41 GLY HA2 H 41 3.410 3.488 -0.078 1
1 452 . 14 1 1 A 41 41 GLY HA3 H 41 3.880 3.869 0.011 1
1 453 . 14 1 1 A 41 41 GLY CA C 41 46.400 47.113 -0.713 1
1 454 . 14 1 1 A 41 41 GLY N N 41 105.900 108.198 -2.298 1
1 455 . 14 1 1 A 42 42 THR H H 42 7.150 7.461 -0.311 1
1 456 . 14 1 1 A 42 42 THR HA H 42 3.580 4.247 -0.667 1
1 462 . 14 1 1 A 42 42 THR CA C 42 65.600 67.138 -1.538 1
1 463 . 14 1 1 A 42 42 THR CB C 42 68.900 68.539 0.361 1
1 465 . 14 1 1 A 42 42 THR N N 42 111.900 118.277 -6.377 1
1 466 . 14 1 1 A 43 43 TYR H H 43 7.040 8.393 -1.353 1
1 467 . 14 1 1 A 43 43 TYR HA H 43 3.460 4.333 -0.873 1
1 474 . 14 1 1 A 43 43 TYR CA C 43 64.100 60.484 3.616 1
1 475 . 14 1 1 A 43 43 TYR CB C 43 38.300 38.226 0.074 1
1 478 . 14 1 1 A 43 43 TYR N N 43 113.500 120.815 -7.315 1
1 479 . 14 1 1 A 44 44 TYR H H 44 9.770 8.058 1.712 1
1 480 . 14 1 1 A 44 44 TYR HA H 44 3.990 4.418 -0.428 1
1 487 . 14 1 1 A 44 44 TYR CA C 44 61.900 62.172 -0.272 1
1 488 . 14 1 1 A 44 44 TYR CB C 44 38.800 38.492 0.308 1
1 491 . 14 1 1 A 44 44 TYR N N 44 119.800 120.576 -0.776 1
1 492 . 14 1 1 A 45 45 HIS H H 45 6.380 8.137 -1.757 1
1 493 . 14 1 1 A 45 45 HIS HA H 45 3.770 4.169 -0.399 1
1 498 . 14 1 1 A 45 45 HIS CA C 45 58.500 59.394 -0.894 1
1 499 . 14 1 1 A 45 45 HIS CB C 45 31.600 30.173 1.427 1
1 502 . 14 1 1 A 45 45 HIS N N 45 114.500 116.859 -2.359 1
1 503 . 14 1 1 A 46 46 LEU H H 46 8.360 8.393 -0.033 1
1 504 . 14 1 1 A 46 46 LEU HA H 46 3.660 3.346 0.314 1
1 514 . 14 1 1 A 46 46 LEU CA C 46 57.100 57.542 -0.442 1
1 515 . 14 1 1 A 46 46 LEU CB C 46 40.800 41.704 -0.904 1
1 519 . 14 1 1 A 46 46 LEU N N 46 121.100 120.781 0.319 1
1 520 . 14 1 1 A 47 47 GLY H H 47 8.440 8.247 0.193 1
1 521 . 14 1 1 A 47 47 GLY HA2 H 47 3.350 3.169 0.181 1
1 522 . 14 1 1 A 47 47 GLY HA3 H 47 3.530 3.703 -0.173 1
1 523 . 14 1 1 A 47 47 GLY CA C 47 47.200 46.837 0.363 1
1 524 . 14 1 1 A 47 47 GLY N N 47 106.500 106.291 0.209 1
1 525 . 14 1 1 A 48 48 LYS H H 48 7.970 7.498 0.472 1
1 526 . 14 1 1 A 48 48 LYS HA H 48 3.800 3.970 -0.170 1
1 535 . 14 1 1 A 48 48 LYS CA C 48 58.200 59.222 -1.022 1
1 536 . 14 1 1 A 48 48 LYS CB C 48 31.600 31.892 -0.292 1
1 540 . 14 1 1 A 48 48 LYS N N 48 120.500 121.792 -1.292 1
1 541 . 14 1 1 A 49 49 LEU H H 49 7.800 7.233 0.567 1
1 542 . 14 1 1 A 49 49 LEU HA H 49 4.170 3.931 0.239 1
1 552 . 14 1 1 A 49 49 LEU CA C 49 57.500 57.480 0.020 1
1 553 . 14 1 1 A 49 49 LEU CB C 49 41.000 41.439 -0.439 1
1 557 . 14 1 1 A 49 49 LEU N N 49 124.000 121.504 2.496 1
1 558 . 14 1 1 A 50 50 TYR H H 50 8.610 7.845 0.765 1
1 559 . 14 1 1 A 50 50 TYR HA H 50 4.420 4.318 0.102 1
1 566 . 14 1 1 A 50 50 TYR CA C 50 59.600 60.714 -1.114 1
1 567 . 14 1 1 A 50 50 TYR CB C 50 35.600 37.985 -2.385 1
1 570 . 14 1 1 A 50 50 TYR N N 50 119.000 118.881 0.119 1
1 571 . 14 1 1 A 51 51 GLU H H 51 8.410 8.365 0.045 1
1 572 . 14 1 1 A 51 51 GLU HA H 51 3.760 3.915 -0.155 1
1 577 . 14 1 1 A 51 51 GLU CA C 51 61.600 59.893 1.707 1
1 578 . 14 1 1 A 51 51 GLU CB C 51 29.800 29.168 0.632 1
1 580 . 14 1 1 A 51 51 GLU N N 51 118.600 118.891 -0.291 1
1 581 . 14 1 1 A 52 52 ARG H H 52 7.910 7.545 0.365 1
1 582 . 14 1 1 A 52 52 ARG HA H 52 4.150 4.101 0.049 1
1 589 . 14 1 1 A 52 52 ARG CA C 52 58.600 58.669 -0.069 1
1 590 . 14 1 1 A 52 52 ARG CB C 52 29.600 29.863 -0.263 1
1 593 . 14 1 1 A 52 52 ARG N N 52 122.200 120.152 2.048 1
1 594 . 14 1 1 A 53 53 LEU H H 53 7.740 7.497 0.243 1
1 595 . 14 1 1 A 53 53 LEU HA H 53 4.400 4.378 0.022 1
1 605 . 14 1 1 A 53 53 LEU CA C 53 54.100 54.712 -0.612 1
1 606 . 14 1 1 A 53 53 LEU CB C 53 41.400 41.903 -0.503 1
1 610 . 14 1 1 A 53 53 LEU N N 53 119.400 117.866 1.534 1
1 611 . 14 1 1 A 54 54 ASP H H 54 8.090 8.182 -0.092 1
1 612 . 14 1 1 A 54 54 ASP HA H 54 4.410 4.281 0.129 1
1 615 . 14 1 1 A 54 54 ASP CA C 54 55.500 55.572 -0.072 1
1 616 . 14 1 1 A 54 54 ASP CB C 54 38.900 40.627 -1.727 1
1 617 . 14 1 1 A 54 54 ASP N N 54 116.300 118.271 -1.971 1
1 618 . 14 1 1 A 55 55 ARG H H 55 8.420 8.088 0.332 1
1 619 . 14 1 1 A 55 55 ARG HA H 55 4.680 4.587 0.093 1
1 627 . 14 1 1 A 55 55 ARG CA C 55 54.000 54.520 -0.520 1
1 628 . 14 1 1 A 55 55 ARG CB C 55 29.800 28.072 1.728 1
1 631 . 14 1 1 A 55 55 ARG N N 55 120.800 120.385 0.415 1
1 633 . 14 1 1 A 56 56 THR H H 56 7.870 7.935 -0.065 1
1 634 . 14 1 1 A 56 56 THR HA H 56 3.510 3.788 -0.278 1
1 639 . 14 1 1 A 56 56 THR CA C 56 67.500 67.359 0.141 1
1 640 . 14 1 1 A 56 56 THR CB C 56 68.000 68.919 -0.919 1
1 642 . 14 1 1 A 56 56 THR N N 56 117.300 116.281 1.019 1
1 643 . 14 1 1 A 57 57 ASP H H 57 8.450 8.322 0.128 1
1 644 . 14 1 1 A 57 57 ASP HA H 57 4.260 4.487 -0.227 1
1 647 . 14 1 1 A 57 57 ASP CA C 57 57.900 57.565 0.335 1
1 648 . 14 1 1 A 57 57 ASP CB C 57 39.100 40.148 -1.048 1
1 649 . 14 1 1 A 57 57 ASP N N 57 120.300 120.478 -0.178 1
1 650 . 14 1 1 A 58 58 ASP H H 58 7.540 8.087 -0.547 1
1 651 . 14 1 1 A 58 58 ASP HA H 58 4.170 4.160 0.010 1
1 654 . 14 1 1 A 58 58 ASP CA C 58 56.900 56.904 -0.004 1
1 655 . 14 1 1 A 58 58 ASP CB C 58 38.400 39.826 -1.426 1
1 656 . 14 1 1 A 58 58 ASP N N 58 120.200 119.941 0.259 1
1 657 . 14 1 1 A 59 59 ALA H H 59 8.110 7.645 0.465 1
1 658 . 14 1 1 A 59 59 ALA HA H 59 3.760 4.006 -0.246 1
1 662 . 14 1 1 A 59 59 ALA CA C 59 56.000 55.033 0.967 1
1 663 . 14 1 1 A 59 59 ALA CB C 59 19.200 18.615 0.585 1
1 664 . 14 1 1 A 59 59 ALA N N 59 124.700 122.103 2.597 1
1 665 . 14 1 1 A 60 60 ILE H H 60 8.230 8.241 -0.011 1
1 666 . 14 1 1 A 60 60 ILE HA H 60 3.520 3.896 -0.376 1
1 676 . 14 1 1 A 60 60 ILE CA C 60 66.800 64.893 1.907 1
1 677 . 14 1 1 A 60 60 ILE CB C 60 38.400 37.649 0.751 1
1 681 . 14 1 1 A 60 60 ILE N N 60 117.600 117.896 -0.296 1
1 682 . 14 1 1 A 61 61 ASP H H 61 7.750 8.426 -0.676 1
1 683 . 14 1 1 A 61 61 ASP HA H 61 4.440 4.278 0.162 1
1 686 . 14 1 1 A 61 61 ASP CA C 61 57.100 57.437 -0.337 1
1 687 . 14 1 1 A 61 61 ASP CB C 61 40.500 40.705 -0.205 1
1 688 . 14 1 1 A 61 61 ASP N N 61 118.300 120.551 -2.251 1
1 689 . 14 1 1 A 62 62 THR H H 62 8.040 7.991 0.049 1
1 690 . 14 1 1 A 62 62 THR HA H 62 4.070 3.977 0.093 1
1 695 . 14 1 1 A 62 62 THR CA C 62 68.000 66.627 1.373 1
1 696 . 14 1 1 A 62 62 THR CB C 62 68.600 68.431 0.169 1
1 698 . 14 1 1 A 62 62 THR N N 62 119.800 115.840 3.960 1
1 699 . 14 1 1 A 63 63 TYR H H 63 8.970 8.080 0.890 1
1 700 . 14 1 1 A 63 63 TYR HA H 63 4.480 4.384 0.096 1
1 707 . 14 1 1 A 63 63 TYR CA C 63 59.200 61.078 -1.878 1
1 708 . 14 1 1 A 63 63 TYR CB C 63 37.700 37.380 0.320 1
1 711 . 14 1 1 A 63 63 TYR N N 63 121.700 120.853 0.847 1
1 712 . 14 1 1 A 64 64 ALA H H 64 8.690 8.582 0.108 1
1 713 . 14 1 1 A 64 64 ALA HA H 64 4.000 4.026 -0.026 1
1 717 . 14 1 1 A 64 64 ALA CA C 64 55.500 55.406 0.094 1
1 718 . 14 1 1 A 64 64 ALA CB C 64 17.800 18.035 -0.235 1
1 719 . 14 1 1 A 64 64 ALA N N 64 119.400 122.720 -3.320 1
1 720 . 14 1 1 A 65 65 GLN H H 65 8.100 8.155 -0.055 1
1 721 . 14 1 1 A 65 65 GLN HA H 65 4.010 4.098 -0.088 1
1 728 . 14 1 1 A 65 65 GLN CA C 65 58.600 59.161 -0.561 1
1 729 . 14 1 1 A 65 65 GLN CB C 65 28.500 28.006 0.494 1
1 731 . 14 1 1 A 65 65 GLN N N 65 119.600 118.393 1.207 1
1 733 . 14 1 1 A 66 66 GLY H H 66 8.430 8.392 0.038 1
1 734 . 14 1 1 A 66 66 GLY HA2 H 66 3.080 2.921 0.159 1
1 735 . 14 1 1 A 66 66 GLY HA3 H 66 2.520 3.419 -0.899 1
1 736 . 14 1 1 A 66 66 GLY CA C 66 46.800 46.989 -0.189 1
1 737 . 14 1 1 A 66 66 GLY N N 66 108.200 106.550 1.650 1
1 738 . 14 1 1 A 67 67 ILE H H 67 8.570 8.473 0.097 1
1 739 . 14 1 1 A 67 67 ILE HA H 67 3.320 3.805 -0.485 1
1 749 . 14 1 1 A 67 67 ILE CA C 67 65.900 64.206 1.694 1
1 750 . 14 1 1 A 67 67 ILE CB C 67 38.400 37.293 1.107 1
1 754 . 14 1 1 A 67 67 ILE N N 67 123.500 122.426 1.074 1
1 755 . 14 1 1 A 68 68 GLU H H 68 7.030 7.860 -0.830 1
1 756 . 14 1 1 A 68 68 GLU HA H 68 3.960 4.022 -0.062 1
1 761 . 14 1 1 A 68 68 GLU CA C 68 58.700 59.274 -0.574 1
1 762 . 14 1 1 A 68 68 GLU CB C 68 28.500 29.280 -0.780 1
1 764 . 14 1 1 A 68 68 GLU N N 68 116.500 119.480 -2.980 1
1 765 . 14 1 1 A 69 69 VAL H H 69 7.440 7.406 0.034 1
1 766 . 14 1 1 A 69 69 VAL HA H 69 3.740 3.971 -0.231 1
1 774 . 14 1 1 A 69 69 VAL CA C 69 65.700 63.804 1.896 1
1 775 . 14 1 1 A 69 69 VAL CB C 69 32.000 31.564 0.436 1
1 778 . 14 1 1 A 69 69 VAL N N 69 119.500 115.933 3.567 1
1 779 . 14 1 1 A 70 70 ALA H H 70 9.290 8.302 0.988 1
1 780 . 14 1 1 A 70 70 ALA HA H 70 3.820 3.982 -0.162 1
1 784 . 14 1 1 A 70 70 ALA CA C 70 54.400 55.578 -1.178 1
1 785 . 14 1 1 A 70 70 ALA CB C 70 18.000 17.953 0.047 1
1 786 . 14 1 1 A 70 70 ALA N N 70 122.500 124.080 -1.580 1
1 787 . 14 1 1 A 71 71 ARG H H 71 8.280 7.940 0.340 1
1 788 . 14 1 1 A 71 71 ARG HA H 71 3.870 4.056 -0.186 1
1 796 . 14 1 1 A 71 71 ARG CA C 71 59.500 58.912 0.588 1
1 797 . 14 1 1 A 71 71 ARG CB C 71 30.000 29.818 0.182 1
1 800 . 14 1 1 A 71 71 ARG N N 71 116.900 116.745 0.155 1
1 802 . 14 1 1 A 72 72 GLU H H 72 7.390 7.743 -0.353 1
1 803 . 14 1 1 A 72 72 GLU HA H 72 4.300 4.239 0.061 1
1 808 . 14 1 1 A 72 72 GLU CA C 72 57.700 58.688 -0.988 1
1 809 . 14 1 1 A 72 72 GLU CB C 72 30.500 30.536 -0.036 1
1 811 . 14 1 1 A 72 72 GLU N N 72 116.800 118.746 -1.946 1
1 812 . 14 1 1 A 73 73 GLU H H 73 8.490 8.242 0.248 1
1 813 . 14 1 1 A 73 73 GLU HA H 73 4.550 4.277 0.273 1
1 818 . 14 1 1 A 73 73 GLU CA C 73 55.900 58.736 -2.836 1
1 819 . 14 1 1 A 73 73 GLU CB C 73 30.800 30.005 0.795 1
1 821 . 14 1 1 A 73 73 GLU N N 73 115.000 118.813 -3.813 1
1 822 . 14 1 1 A 74 74 GLY H H 74 8.070 7.792 0.278 1
1 823 . 14 1 1 A 74 74 GLY HA2 H 74 4.450 3.979 0.471 1
1 824 . 14 1 1 A 74 74 GLY HA3 H 74 3.830 3.987 -0.157 1
1 825 . 14 1 1 A 74 74 GLY CA C 74 44.600 44.857 -0.257 1
1 826 . 14 1 1 A 74 74 GLY N N 74 108.100 108.697 -0.597 1
1 827 . 14 1 1 A 75 75 THR H H 75 8.760 7.552 1.208 1
1 828 . 14 1 1 A 75 75 THR HA H 75 4.670 4.686 -0.016 1
1 833 . 14 1 1 A 75 75 THR CA C 75 59.000 60.692 -1.692 1
1 834 . 14 1 1 A 75 75 THR CB C 75 70.900 69.835 1.065 1
1 836 . 14 1 1 A 75 75 THR N N 75 111.400 114.858 -3.458 1
1 837 . 14 1 1 A 76 76 GLN H H 76 8.710 8.737 -0.027 1
1 838 . 14 1 1 A 76 76 GLN HA H 76 3.940 3.942 -0.002 1
1 845 . 14 1 1 A 76 76 GLN CA C 76 58.700 58.834 -0.134 1
1 846 . 14 1 1 A 76 76 GLN CB C 76 27.900 28.257 -0.357 1
1 848 . 14 1 1 A 76 76 GLN N N 76 123.100 124.979 -1.879 1
1 850 . 14 1 1 A 77 77 LYS H H 77 8.240 7.864 0.376 1
1 851 . 14 1 1 A 77 77 LYS HA H 77 4.000 4.018 -0.018 1
1 860 . 14 1 1 A 77 77 LYS CA C 77 59.200 59.621 -0.421 1
1 861 . 14 1 1 A 77 77 LYS CB C 77 31.900 32.264 -0.364 1
1 865 . 14 1 1 A 77 77 LYS N N 77 121.000 119.050 1.950 1
1 866 . 14 1 1 A 78 78 ASP H H 78 7.390 8.194 -0.804 1
1 867 . 14 1 1 A 78 78 ASP HA H 78 4.170 4.296 -0.126 1
1 870 . 14 1 1 A 78 78 ASP CA C 78 57.000 57.020 -0.020 1
1 871 . 14 1 1 A 78 78 ASP CB C 78 41.400 40.672 0.728 1
1 872 . 14 1 1 A 78 78 ASP N N 78 117.800 119.923 -2.123 1
1 873 . 14 1 1 A 79 79 LEU H H 79 7.690 7.957 -0.267 1
1 874 . 14 1 1 A 79 79 LEU HA H 79 3.770 4.054 -0.284 1
1 884 . 14 1 1 A 79 79 LEU CA C 79 58.100 57.835 0.265 1
1 885 . 14 1 1 A 79 79 LEU CB C 79 42.100 41.332 0.768 1
1 889 . 14 1 1 A 79 79 LEU N N 79 118.400 122.487 -4.087 1
1 890 . 14 1 1 A 80 80 SER H H 80 8.400 8.119 0.281 1
1 891 . 14 1 1 A 80 80 SER HA H 80 4.170 4.069 0.101 1
1 894 . 14 1 1 A 80 80 SER CA C 80 61.500 62.294 -0.794 1
1 895 . 14 1 1 A 80 80 SER CB C 80 62.500 62.862 -0.362 1
1 896 . 14 1 1 A 80 80 SER N N 80 114.000 116.005 -2.005 1
1 897 . 14 1 1 A 81 81 GLU H H 81 7.930 7.785 0.145 1
1 898 . 14 1 1 A 81 81 GLU HA H 81 4.030 4.015 0.015 1
1 903 . 14 1 1 A 81 81 GLU CA C 81 59.000 59.054 -0.054 1
1 904 . 14 1 1 A 81 81 GLU CB C 81 29.000 28.950 0.050 1
1 906 . 14 1 1 A 81 81 GLU N N 81 121.000 122.096 -1.096 1
1 907 . 14 1 1 A 82 82 LEU H H 82 7.870 8.031 -0.161 1
1 908 . 14 1 1 A 82 82 LEU HA H 82 3.890 3.891 -0.001 1
1 918 . 14 1 1 A 82 82 LEU CA C 82 57.900 57.937 -0.037 1
1 919 . 14 1 1 A 82 82 LEU CB C 82 43.900 41.221 2.679 1
1 923 . 14 1 1 A 82 82 LEU N N 82 120.900 120.108 0.792 1
1 924 . 14 1 1 A 83 83 GLN H H 83 8.520 8.234 0.286 1
1 925 . 14 1 1 A 83 83 GLN HA H 83 3.900 4.121 -0.221 1
1 932 . 14 1 1 A 83 83 GLN CA C 83 59.200 59.233 -0.033 1
1 933 . 14 1 1 A 83 83 GLN CB C 83 28.300 27.910 0.390 1
1 935 . 14 1 1 A 83 83 GLN N N 83 118.300 117.925 0.375 1
1 937 . 14 1 1 A 84 84 ASP H H 84 8.140 8.385 -0.245 1
1 938 . 14 1 1 A 84 84 ASP HA H 84 4.340 4.291 0.049 1
1 941 . 14 1 1 A 84 84 ASP CA C 84 57.100 57.551 -0.451 1
1 942 . 14 1 1 A 84 84 ASP CB C 84 41.000 41.209 -0.209 1
1 943 . 14 1 1 A 84 84 ASP N N 84 119.700 119.134 0.566 1
1 944 . 14 1 1 A 85 85 ALA H H 85 7.740 8.270 -0.530 1
1 945 . 14 1 1 A 85 85 ALA HA H 85 3.810 3.954 -0.144 1
1 949 . 14 1 1 A 85 85 ALA CA C 85 54.600 55.198 -0.598 1
1 950 . 14 1 1 A 85 85 ALA CB C 85 16.200 17.710 -1.510 1
1 951 . 14 1 1 A 85 85 ALA N N 85 121.600 121.522 0.078 1
1 952 . 14 1 1 A 86 86 LYS H H 86 8.070 7.655 0.415 1
1 953 . 14 1 1 A 86 86 LYS HA H 86 3.810 4.135 -0.325 1
1 962 . 14 1 1 A 86 86 LYS CA C 86 60.600 59.044 1.556 1
1 963 . 14 1 1 A 86 86 LYS CB C 86 33.300 31.808 1.492 1
1 967 . 14 1 1 A 86 86 LYS N N 86 120.200 116.655 3.545 1
1 968 . 14 1 1 A 87 87 LEU H H 87 7.780 7.659 0.121 1
1 969 . 14 1 1 A 87 87 LEU HA H 87 4.160 3.955 0.205 1
1 979 . 14 1 1 A 87 87 LEU CA C 87 57.500 58.371 -0.871 1
1 980 . 14 1 1 A 87 87 LEU CB C 87 41.900 41.803 0.097 1
1 984 . 14 1 1 A 87 87 LEU N N 87 118.400 121.076 -2.676 1
1 985 . 14 1 1 A 88 88 LYS H H 88 7.900 8.184 -0.284 1
1 986 . 14 1 1 A 88 88 LYS HA H 88 3.960 4.065 -0.105 1
1 995 . 14 1 1 A 88 88 LYS CA C 88 59.200 58.945 0.255 1
1 996 . 14 1 1 A 88 88 LYS CB C 88 32.000 31.721 0.279 1
1 1000 . 14 1 1 A 88 88 LYS N N 88 118.700 117.447 1.253 1
1 1001 . 14 1 1 A 89 89 ALA H H 89 8.000 8.204 -0.204 1
1 1002 . 14 1 1 A 89 89 ALA HA H 89 4.150 4.060 0.090 1
1 1006 . 14 1 1 A 89 89 ALA CA C 89 54.500 54.920 -0.420 1
1 1007 . 14 1 1 A 89 89 ALA CB C 89 17.800 18.611 -0.811 1
1 1008 . 14 1 1 A 89 89 ALA N N 89 122.400 122.233 0.167 1
1 1009 . 14 1 1 A 90 90 GLU H H 90 8.300 8.152 0.148 1
1 1010 . 14 1 1 A 90 90 GLU HA H 90 3.930 4.022 -0.092 1
1 1015 . 14 1 1 A 90 90 GLU CA C 90 58.000 59.038 -1.038 1
1 1016 . 14 1 1 A 90 90 GLU CB C 90 29.700 29.528 0.172 1
1 1018 . 14 1 1 A 90 90 GLU N N 90 116.700 117.150 -0.450 1
1 1019 . 14 1 1 A 91 91 GLY H H 91 7.710 7.695 0.015 1
1 1020 . 14 1 1 A 91 91 GLY HA2 H 91 4.070 3.851 0.219 1
1 1021 . 14 1 1 A 91 91 GLY HA3 H 91 3.870 3.857 0.013 1
1 1022 . 14 1 1 A 91 91 GLY CA C 91 45.500 46.078 -0.578 1
1 1023 . 14 1 1 A 91 91 GLY N N 91 106.000 109.506 -3.506 1
1 1024 . 14 1 1 A 92 92 LEU H H 92 7.640 7.203 0.437 1
1 1025 . 14 1 1 A 92 92 LEU HA H 92 4.270 4.017 0.253 1
1 1035 . 14 1 1 A 92 92 LEU CA C 92 55.200 57.206 -2.006 1
1 1036 . 14 1 1 A 92 92 LEU CB C 92 42.100 42.552 -0.452 1
1 1040 . 14 1 1 A 92 92 LEU N N 92 121.200 120.984 0.216 1
1 1041 . 14 1 1 A 93 93 GLU H H 93 8.290 7.573 0.717 1
1 1042 . 14 1 1 A 93 93 GLU HA H 93 4.130 4.568 -0.438 1
1 1047 . 14 1 1 A 93 93 GLU CA C 93 56.700 55.199 1.501 1
1 1048 . 14 1 1 A 93 93 GLU CB C 93 29.700 31.627 -1.927 1
1 1050 . 14 1 1 A 93 93 GLU N N 93 120.200 112.462 7.738 1
1 1051 . 14 1 1 A 94 94 HIS H H 94 8.260 8.630 -0.370 1
1 1052 . 14 1 1 A 94 94 HIS HA H 94 4.560 4.681 -0.121 1
1 1055 . 14 1 1 A 94 94 HIS CA C 94 55.400 56.247 -0.847 1
1 1056 . 14 1 1 A 94 94 HIS CB C 94 29.700 30.825 -1.125 1
1 1057 . 14 1 1 A 94 94 HIS N N 94 118.900 121.303 -2.403 1
1 1058 . 14 1 1 A 95 95 HIS H H 95 8.170 8.479 -0.309 1
1 1059 . 14 1 1 A 95 95 HIS HA H 95 4.410 4.159 0.251 1
1 1062 . 14 1 1 A 95 95 HIS CA C 95 57.000 57.545 -0.545 1
1 1063 . 14 1 1 A 95 95 HIS CB C 95 30.000 30.244 -0.244 1
1 9 . 15 1 1 A 2 2 ASP H H 2 8.560 8.493 0.067 1
1 10 . 15 1 1 A 2 2 ASP HA H 2 4.850 5.122 -0.272 1
1 13 . 15 1 1 A 2 2 ASP CA C 2 52.200 50.986 1.214 1
1 14 . 15 1 1 A 2 2 ASP CB C 2 40.900 41.221 -0.321 1
1 15 . 15 1 1 A 2 2 ASP N N 2 123.000 124.842 -1.842 1
1 16 . 15 1 1 A 3 3 PRO HA H 3 4.380 4.233 0.147 1
1 23 . 15 1 1 A 3 3 PRO CA C 3 63.500 65.194 -1.694 1
1 24 . 15 1 1 A 3 3 PRO CB C 3 32.100 31.853 0.247 1
1 27 . 15 1 1 A 4 4 GLU H H 4 8.410 8.807 -0.397 1
1 28 . 15 1 1 A 4 4 GLU HA H 4 4.250 4.060 0.190 1
1 33 . 15 1 1 A 4 4 GLU CA C 4 55.900 59.580 -3.680 1
1 34 . 15 1 1 A 4 4 GLU CB C 4 30.100 29.206 0.894 1
1 36 . 15 1 1 A 4 4 GLU N N 4 118.300 117.999 0.301 1
1 37 . 15 1 1 A 5 5 ASP H H 5 8.030 7.765 0.265 1
1 38 . 15 1 1 A 5 5 ASP HA H 5 4.730 4.741 -0.011 1
1 41 . 15 1 1 A 5 5 ASP CA C 5 52.600 52.521 0.079 1
1 42 . 15 1 1 A 5 5 ASP CB C 5 41.700 40.529 1.171 1
1 43 . 15 1 1 A 5 5 ASP N N 5 123.700 119.912 3.788 1
1 44 . 15 1 1 A 6 6 PRO HA H 6 3.940 4.267 -0.327 1
1 51 . 15 1 1 A 6 6 PRO CA C 6 64.900 65.475 -0.575 1
1 52 . 15 1 1 A 6 6 PRO CB C 6 31.000 31.216 -0.216 1
1 55 . 15 1 1 A 7 7 PHE H H 7 8.130 7.588 0.542 1
1 56 . 15 1 1 A 7 7 PHE HA H 7 4.220 4.131 0.089 1
1 64 . 15 1 1 A 7 7 PHE CA C 7 60.800 61.444 -0.644 1
1 65 . 15 1 1 A 7 7 PHE CB C 7 38.300 39.268 -0.968 1
1 69 . 15 1 1 A 7 7 PHE N N 7 117.200 118.382 -1.182 1
1 70 . 15 1 1 A 8 8 THR H H 8 7.830 8.203 -0.373 1
1 71 . 15 1 1 A 8 8 THR HA H 8 3.710 3.952 -0.242 1
1 76 . 15 1 1 A 8 8 THR CA C 8 66.200 66.940 -0.740 1
1 77 . 15 1 1 A 8 8 THR CB C 8 68.300 68.644 -0.344 1
1 79 . 15 1 1 A 8 8 THR N N 8 115.700 115.304 0.396 1
1 80 . 15 1 1 A 9 9 ARG H H 9 7.300 8.414 -1.114 1
1 81 . 15 1 1 A 9 9 ARG HA H 9 3.840 4.013 -0.173 1
1 89 . 15 1 1 A 9 9 ARG CA C 9 59.700 58.723 0.977 1
1 90 . 15 1 1 A 9 9 ARG CB C 9 30.400 29.968 0.432 1
1 93 . 15 1 1 A 9 9 ARG N N 9 121.400 120.204 1.196 1
1 95 . 15 1 1 A 10 10 TYR H H 10 8.480 8.283 0.197 1
1 96 . 15 1 1 A 10 10 TYR HA H 10 3.800 4.150 -0.350 1
1 103 . 15 1 1 A 10 10 TYR CA C 10 61.400 61.447 -0.047 1
1 104 . 15 1 1 A 10 10 TYR CB C 10 38.300 38.821 -0.521 1
1 107 . 15 1 1 A 10 10 TYR N N 10 121.700 121.674 0.026 1
1 108 . 15 1 1 A 11 11 ALA H H 11 8.500 8.185 0.315 1
1 109 . 15 1 1 A 11 11 ALA HA H 11 3.700 3.858 -0.158 1
1 113 . 15 1 1 A 11 11 ALA CA C 11 54.400 55.038 -0.638 1
1 114 . 15 1 1 A 11 11 ALA CB C 11 17.300 17.942 -0.642 1
1 115 . 15 1 1 A 11 11 ALA N N 11 121.700 121.692 0.008 1
1 116 . 15 1 1 A 12 12 LEU H H 12 7.690 8.320 -0.630 1
1 117 . 15 1 1 A 12 12 LEU HA H 12 3.920 3.866 0.054 1
1 127 . 15 1 1 A 12 12 LEU CA C 12 57.100 57.723 -0.623 1
1 128 . 15 1 1 A 12 12 LEU CB C 12 41.500 41.043 0.457 1
1 132 . 15 1 1 A 12 12 LEU N N 12 120.900 118.358 2.542 1
1 133 . 15 1 1 A 13 13 ALA H H 13 8.010 8.182 -0.172 1
1 134 . 15 1 1 A 13 13 ALA HA H 13 3.500 4.082 -0.582 1
1 138 . 15 1 1 A 13 13 ALA CA C 13 55.400 55.425 -0.025 1
1 139 . 15 1 1 A 13 13 ALA CB C 13 17.400 17.986 -0.586 1
1 140 . 15 1 1 A 13 13 ALA N N 13 123.000 121.789 1.211 1
1 141 . 15 1 1 A 14 14 GLN H H 14 7.660 7.825 -0.165 1
1 142 . 15 1 1 A 14 14 GLN HA H 14 3.910 4.082 -0.172 1
1 149 . 15 1 1 A 14 14 GLN CA C 14 58.200 58.445 -0.245 1
1 150 . 15 1 1 A 14 14 GLN CB C 14 27.700 28.177 -0.477 1
1 152 . 15 1 1 A 14 14 GLN N N 14 114.000 117.034 -3.034 1
1 154 . 15 1 1 A 15 15 GLU H H 15 7.900 8.159 -0.259 1
1 155 . 15 1 1 A 15 15 GLU HA H 15 3.900 4.052 -0.152 1
1 160 . 15 1 1 A 15 15 GLU CA C 15 58.800 59.302 -0.502 1
1 161 . 15 1 1 A 15 15 GLU CB C 15 28.600 29.211 -0.611 1
1 163 . 15 1 1 A 15 15 GLU N N 15 122.400 121.140 1.260 1
1 164 . 15 1 1 A 16 16 HIS H H 16 8.220 7.858 0.362 1
1 165 . 15 1 1 A 16 16 HIS HA H 16 4.520 4.389 0.131 1
1 170 . 15 1 1 A 16 16 HIS CA C 16 59.700 58.990 0.710 1
1 171 . 15 1 1 A 16 16 HIS CB C 16 29.600 29.728 -0.128 1
1 174 . 15 1 1 A 16 16 HIS N N 16 119.100 119.167 -0.067 1
1 175 . 15 1 1 A 17 17 LEU H H 17 8.090 8.602 -0.512 1
1 176 . 15 1 1 A 17 17 LEU HA H 17 3.870 3.863 0.007 1
1 186 . 15 1 1 A 17 17 LEU CA C 17 57.900 58.077 -0.177 1
1 187 . 15 1 1 A 17 17 LEU CB C 17 41.400 41.586 -0.186 1
1 191 . 15 1 1 A 17 17 LEU N N 17 120.500 119.548 0.952 1
1 192 . 15 1 1 A 18 18 LYS H H 18 7.960 8.047 -0.087 1
1 193 . 15 1 1 A 18 18 LYS HA H 18 4.030 4.164 -0.134 1
1 202 . 15 1 1 A 18 18 LYS CA C 18 58.400 58.239 0.161 1
1 203 . 15 1 1 A 18 18 LYS CB C 18 31.800 32.306 -0.506 1
1 207 . 15 1 1 A 18 18 LYS N N 18 121.000 116.852 4.148 1
1 208 . 15 1 1 A 19 19 HIS H H 19 7.410 7.444 -0.034 1
1 209 . 15 1 1 A 19 19 HIS HA H 19 4.720 4.738 -0.018 1
1 213 . 15 1 1 A 19 19 HIS CA C 19 54.700 55.542 -0.842 1
1 214 . 15 1 1 A 19 19 HIS CB C 19 28.500 29.628 -1.128 1
1 216 . 15 1 1 A 19 19 HIS N N 19 115.800 116.017 -0.217 1
1 217 . 15 1 1 A 20 20 ASP H H 20 8.010 7.885 0.125 1
1 218 . 15 1 1 A 20 20 ASP HA H 20 4.370 4.356 0.014 1
1 221 . 15 1 1 A 20 20 ASP CA C 20 55.600 55.604 -0.004 1
1 222 . 15 1 1 A 20 20 ASP CB C 20 39.600 40.594 -0.994 1
1 223 . 15 1 1 A 20 20 ASP N N 20 115.900 117.680 -1.780 1
1 224 . 15 1 1 A 21 21 ASN H H 21 8.450 8.125 0.325 1
1 225 . 15 1 1 A 21 21 ASN HA H 21 5.130 4.961 0.169 1
1 230 . 15 1 1 A 21 21 ASN CA C 21 50.600 52.055 -1.455 1
1 231 . 15 1 1 A 21 21 ASN CB C 21 37.000 36.464 0.536 1
1 232 . 15 1 1 A 21 21 ASN N N 21 118.700 117.437 1.263 1
1 234 . 15 1 1 A 22 22 ALA H H 22 8.010 8.415 -0.405 1
1 235 . 15 1 1 A 22 22 ALA HA H 22 3.840 4.064 -0.224 1
1 239 . 15 1 1 A 22 22 ALA CA C 22 55.300 55.117 0.183 1
1 240 . 15 1 1 A 22 22 ALA CB C 22 18.300 18.415 -0.115 1
1 241 . 15 1 1 A 22 22 ALA N N 22 123.300 126.365 -3.065 1
1 242 . 15 1 1 A 23 23 SER H H 23 8.670 8.142 0.528 1
1 243 . 15 1 1 A 23 23 SER HA H 23 4.070 4.162 -0.092 1
1 246 . 15 1 1 A 23 23 SER CA C 23 61.800 61.041 0.759 1
1 247 . 15 1 1 A 23 23 SER CB C 23 61.900 62.914 -1.014 1
1 248 . 15 1 1 A 23 23 SER N N 23 112.500 113.484 -0.984 1
1 249 . 15 1 1 A 24 24 ARG H H 24 7.230 7.884 -0.654 1
1 250 . 15 1 1 A 24 24 ARG HA H 24 3.960 3.904 0.056 1
1 257 . 15 1 1 A 24 24 ARG CA C 24 57.000 59.583 -2.583 1
1 258 . 15 1 1 A 24 24 ARG CB C 24 29.100 29.897 -0.797 1
1 261 . 15 1 1 A 24 24 ARG N N 24 122.300 121.663 0.637 1
1 262 . 15 1 1 A 25 25 ALA H H 25 7.340 7.576 -0.236 1
1 263 . 15 1 1 A 25 25 ALA HA H 25 3.570 3.954 -0.384 1
1 267 . 15 1 1 A 25 25 ALA CA C 25 55.300 54.906 0.394 1
1 268 . 15 1 1 A 25 25 ALA CB C 25 18.700 18.189 0.511 1
1 269 . 15 1 1 A 25 25 ALA N N 25 120.200 121.651 -1.451 1
1 270 . 15 1 1 A 26 26 LEU H H 26 8.420 8.326 0.094 1
1 271 . 15 1 1 A 26 26 LEU HA H 26 3.800 4.264 -0.464 1
1 281 . 15 1 1 A 26 26 LEU CA C 26 58.300 57.916 0.384 1
1 282 . 15 1 1 A 26 26 LEU CB C 26 41.800 41.229 0.571 1
1 286 . 15 1 1 A 26 26 LEU N N 26 116.500 120.147 -3.647 1
1 287 . 15 1 1 A 27 27 ALA H H 27 7.190 8.282 -1.092 1
1 288 . 15 1 1 A 27 27 ALA HA H 27 4.120 4.002 0.118 1
1 292 . 15 1 1 A 27 27 ALA CA C 27 54.700 55.190 -0.490 1
1 293 . 15 1 1 A 27 27 ALA CB C 27 18.000 18.188 -0.188 1
1 294 . 15 1 1 A 27 27 ALA N N 27 118.200 120.479 -2.279 1
1 295 . 15 1 1 A 28 28 LEU H H 28 7.500 7.719 -0.219 1
1 296 . 15 1 1 A 28 28 LEU HA H 28 4.070 3.920 0.150 1
1 306 . 15 1 1 A 28 28 LEU CA C 28 57.600 57.786 -0.186 1
1 307 . 15 1 1 A 28 28 LEU CB C 28 43.100 41.810 1.290 1
1 311 . 15 1 1 A 28 28 LEU N N 28 118.300 119.171 -0.871 1
1 312 . 15 1 1 A 29 29 PHE H H 29 8.690 7.984 0.706 1
1 313 . 15 1 1 A 29 29 PHE HA H 29 4.630 4.308 0.322 1
1 321 . 15 1 1 A 29 29 PHE CA C 29 58.700 60.510 -1.810 1
1 322 . 15 1 1 A 29 29 PHE CB C 29 40.300 38.520 1.780 1
1 326 . 15 1 1 A 29 29 PHE N N 29 119.000 118.480 0.520 1
1 327 . 15 1 1 A 30 30 GLU H H 30 8.990 8.329 0.661 1
1 328 . 15 1 1 A 30 30 GLU HA H 30 3.790 3.896 -0.106 1
1 333 . 15 1 1 A 30 30 GLU CA C 30 60.100 59.981 0.119 1
1 334 . 15 1 1 A 30 30 GLU CB C 30 29.100 29.159 -0.059 1
1 336 . 15 1 1 A 30 30 GLU N N 30 117.400 118.870 -1.470 1
1 337 . 15 1 1 A 31 31 GLU H H 31 7.830 8.386 -0.556 1
1 338 . 15 1 1 A 31 31 GLU HA H 31 4.160 4.039 0.121 1
1 343 . 15 1 1 A 31 31 GLU CA C 31 58.800 59.223 -0.423 1
1 344 . 15 1 1 A 31 31 GLU CB C 31 29.900 29.462 0.438 1
1 346 . 15 1 1 A 31 31 GLU N N 31 119.500 119.796 -0.296 1
1 347 . 15 1 1 A 32 32 LEU H H 32 7.920 8.236 -0.316 1
1 348 . 15 1 1 A 32 32 LEU HA H 32 4.130 4.097 0.033 1
1 358 . 15 1 1 A 32 32 LEU CA C 32 58.200 58.036 0.164 1
1 359 . 15 1 1 A 32 32 LEU CB C 32 43.000 41.973 1.027 1
1 363 . 15 1 1 A 32 32 LEU N N 32 122.000 120.316 1.684 1
1 364 . 15 1 1 A 33 33 VAL H H 33 7.460 7.901 -0.441 1
1 365 . 15 1 1 A 33 33 VAL HA H 33 3.590 3.366 0.224 1
1 373 . 15 1 1 A 33 33 VAL CA C 33 65.800 66.846 -1.046 1
1 374 . 15 1 1 A 33 33 VAL CB C 33 31.500 31.244 0.256 1
1 377 . 15 1 1 A 33 33 VAL N N 33 116.000 119.408 -3.408 1
1 378 . 15 1 1 A 34 34 GLU H H 34 7.210 8.501 -1.291 1
1 379 . 15 1 1 A 34 34 GLU HA H 34 4.130 4.165 -0.035 1
1 384 . 15 1 1 A 34 34 GLU CA C 34 58.500 58.851 -0.351 1
1 385 . 15 1 1 A 34 34 GLU CB C 34 29.900 28.971 0.929 1
1 387 . 15 1 1 A 34 34 GLU N N 34 117.400 119.489 -2.089 1
1 388 . 15 1 1 A 35 35 THR H H 35 9.100 7.511 1.589 1
1 389 . 15 1 1 A 35 35 THR HA H 35 4.180 4.459 -0.279 1
1 394 . 15 1 1 A 35 35 THR CA C 35 63.900 62.847 1.053 1
1 395 . 15 1 1 A 35 35 THR CB C 35 69.300 69.561 -0.261 1
1 397 . 15 1 1 A 35 35 THR N N 35 109.900 110.632 -0.732 1
1 398 . 15 1 1 A 36 36 ASP H H 36 8.630 8.320 0.310 1
1 399 . 15 1 1 A 36 36 ASP HA H 36 5.300 5.050 0.250 1
1 402 . 15 1 1 A 36 36 ASP CA C 36 52.700 51.514 1.186 1
1 403 . 15 1 1 A 36 36 ASP CB C 36 42.400 41.426 0.974 1
1 404 . 15 1 1 A 36 36 ASP N N 36 122.800 120.785 2.015 1
1 405 . 15 1 1 A 37 37 PRO HA H 37 4.560 4.622 -0.062 1
1 412 . 15 1 1 A 37 37 PRO CA C 37 64.400 64.442 -0.042 1
1 413 . 15 1 1 A 37 37 PRO CB C 37 31.100 32.443 -1.343 1
1 416 . 15 1 1 A 38 38 ASP H H 38 8.630 8.969 -0.339 1
1 417 . 15 1 1 A 38 38 ASP HA H 38 4.570 4.496 0.074 1
1 420 . 15 1 1 A 38 38 ASP CA C 38 53.800 56.306 -2.506 1
1 421 . 15 1 1 A 38 38 ASP CB C 38 39.500 40.370 -0.870 1
1 422 . 15 1 1 A 38 38 ASP N N 38 113.700 118.323 -4.623 1
1 423 . 15 1 1 A 39 39 TYR H H 39 8.110 7.749 0.361 1
1 424 . 15 1 1 A 39 39 TYR HA H 39 4.540 4.647 -0.107 1
1 431 . 15 1 1 A 39 39 TYR CA C 39 58.500 56.174 2.326 1
1 432 . 15 1 1 A 39 39 TYR CB C 39 36.500 37.023 -0.523 1
1 435 . 15 1 1 A 39 39 TYR N N 39 123.700 121.015 2.685 1
1 436 . 15 1 1 A 40 40 VAL H H 40 7.880 8.019 -0.139 1
1 437 . 15 1 1 A 40 40 VAL HA H 40 3.770 3.859 -0.089 1
1 445 . 15 1 1 A 40 40 VAL CA C 40 65.000 66.335 -1.335 1
1 446 . 15 1 1 A 40 40 VAL CB C 40 32.500 31.625 0.875 1
1 449 . 15 1 1 A 40 40 VAL N N 40 128.100 125.306 2.794 1
1 450 . 15 1 1 A 41 41 GLY H H 41 7.530 8.039 -0.509 1
1 451 . 15 1 1 A 41 41 GLY HA2 H 41 3.410 3.600 -0.190 1
1 452 . 15 1 1 A 41 41 GLY HA3 H 41 3.880 3.934 -0.054 1
1 453 . 15 1 1 A 41 41 GLY CA C 41 46.400 46.970 -0.570 1
1 454 . 15 1 1 A 41 41 GLY N N 41 105.900 108.247 -2.347 1
1 455 . 15 1 1 A 42 42 THR H H 42 7.150 7.489 -0.339 1
1 456 . 15 1 1 A 42 42 THR HA H 42 3.580 4.182 -0.602 1
1 462 . 15 1 1 A 42 42 THR CA C 42 65.600 66.723 -1.123 1
1 463 . 15 1 1 A 42 42 THR CB C 42 68.900 68.597 0.303 1
1 465 . 15 1 1 A 42 42 THR N N 42 111.900 118.085 -6.185 1
1 466 . 15 1 1 A 43 43 TYR H H 43 7.040 8.245 -1.205 1
1 467 . 15 1 1 A 43 43 TYR HA H 43 3.460 4.318 -0.858 1
1 474 . 15 1 1 A 43 43 TYR CA C 43 64.100 60.466 3.634 1
1 475 . 15 1 1 A 43 43 TYR CB C 43 38.300 38.150 0.150 1
1 478 . 15 1 1 A 43 43 TYR N N 43 113.500 120.496 -6.996 1
1 479 . 15 1 1 A 44 44 TYR H H 44 9.770 7.987 1.783 1
1 480 . 15 1 1 A 44 44 TYR HA H 44 3.990 4.561 -0.571 1
1 487 . 15 1 1 A 44 44 TYR CA C 44 61.900 62.137 -0.237 1
1 488 . 15 1 1 A 44 44 TYR CB C 44 38.800 38.927 -0.127 1
1 491 . 15 1 1 A 44 44 TYR N N 44 119.800 120.582 -0.782 1
1 492 . 15 1 1 A 45 45 HIS H H 45 6.380 8.333 -1.953 1
1 493 . 15 1 1 A 45 45 HIS HA H 45 3.770 4.261 -0.491 1
1 498 . 15 1 1 A 45 45 HIS CA C 45 58.500 59.661 -1.161 1
1 499 . 15 1 1 A 45 45 HIS CB C 45 31.600 30.060 1.540 1
1 502 . 15 1 1 A 45 45 HIS N N 45 114.500 117.160 -2.660 1
1 503 . 15 1 1 A 46 46 LEU H H 46 8.360 8.547 -0.187 1
1 504 . 15 1 1 A 46 46 LEU HA H 46 3.660 3.354 0.306 1
1 514 . 15 1 1 A 46 46 LEU CA C 46 57.100 57.615 -0.515 1
1 515 . 15 1 1 A 46 46 LEU CB C 46 40.800 41.791 -0.991 1
1 519 . 15 1 1 A 46 46 LEU N N 46 121.100 120.552 0.548 1
1 520 . 15 1 1 A 47 47 GLY H H 47 8.440 8.229 0.211 1
1 521 . 15 1 1 A 47 47 GLY HA2 H 47 3.350 3.281 0.069 1
1 522 . 15 1 1 A 47 47 GLY HA3 H 47 3.530 3.695 -0.165 1
1 523 . 15 1 1 A 47 47 GLY CA C 47 47.200 46.887 0.313 1
1 524 . 15 1 1 A 47 47 GLY N N 47 106.500 106.250 0.250 1
1 525 . 15 1 1 A 48 48 LYS H H 48 7.970 7.727 0.243 1
1 526 . 15 1 1 A 48 48 LYS HA H 48 3.800 3.950 -0.150 1
1 535 . 15 1 1 A 48 48 LYS CA C 48 58.200 59.259 -1.059 1
1 536 . 15 1 1 A 48 48 LYS CB C 48 31.600 31.973 -0.373 1
1 540 . 15 1 1 A 48 48 LYS N N 48 120.500 121.795 -1.295 1
1 541 . 15 1 1 A 49 49 LEU H H 49 7.800 7.436 0.364 1
1 542 . 15 1 1 A 49 49 LEU HA H 49 4.170 3.934 0.236 1
1 552 . 15 1 1 A 49 49 LEU CA C 49 57.500 57.460 0.040 1
1 553 . 15 1 1 A 49 49 LEU CB C 49 41.000 41.467 -0.467 1
1 557 . 15 1 1 A 49 49 LEU N N 49 124.000 121.431 2.569 1
1 558 . 15 1 1 A 50 50 TYR H H 50 8.610 7.749 0.861 1
1 559 . 15 1 1 A 50 50 TYR HA H 50 4.420 4.219 0.201 1
1 566 . 15 1 1 A 50 50 TYR CA C 50 59.600 60.694 -1.094 1
1 567 . 15 1 1 A 50 50 TYR CB C 50 35.600 37.533 -1.933 1
1 570 . 15 1 1 A 50 50 TYR N N 50 119.000 118.503 0.497 1
1 571 . 15 1 1 A 51 51 GLU H H 51 8.410 8.564 -0.154 1
1 572 . 15 1 1 A 51 51 GLU HA H 51 3.760 3.935 -0.175 1
1 577 . 15 1 1 A 51 51 GLU CA C 51 61.600 60.002 1.598 1
1 578 . 15 1 1 A 51 51 GLU CB C 51 29.800 29.383 0.417 1
1 580 . 15 1 1 A 51 51 GLU N N 51 118.600 118.645 -0.045 1
1 581 . 15 1 1 A 52 52 ARG H H 52 7.910 7.911 -0.001 1
1 582 . 15 1 1 A 52 52 ARG HA H 52 4.150 4.128 0.022 1
1 589 . 15 1 1 A 52 52 ARG CA C 52 58.600 58.778 -0.178 1
1 590 . 15 1 1 A 52 52 ARG CB C 52 29.600 30.027 -0.427 1
1 593 . 15 1 1 A 52 52 ARG N N 52 122.200 120.863 1.337 1
1 594 . 15 1 1 A 53 53 LEU H H 53 7.740 7.599 0.141 1
1 595 . 15 1 1 A 53 53 LEU HA H 53 4.400 4.395 0.005 1
1 605 . 15 1 1 A 53 53 LEU CA C 53 54.100 54.581 -0.481 1
1 606 . 15 1 1 A 53 53 LEU CB C 53 41.400 41.933 -0.533 1
1 610 . 15 1 1 A 53 53 LEU N N 53 119.400 117.862 1.538 1
1 611 . 15 1 1 A 54 54 ASP H H 54 8.090 8.143 -0.053 1
1 612 . 15 1 1 A 54 54 ASP HA H 54 4.410 4.279 0.131 1
1 615 . 15 1 1 A 54 54 ASP CA C 54 55.500 55.548 -0.048 1
1 616 . 15 1 1 A 54 54 ASP CB C 54 38.900 40.637 -1.737 1
1 617 . 15 1 1 A 54 54 ASP N N 54 116.300 118.307 -2.007 1
1 618 . 15 1 1 A 55 55 ARG H H 55 8.420 8.490 -0.070 1
1 619 . 15 1 1 A 55 55 ARG HA H 55 4.680 4.630 0.050 1
1 627 . 15 1 1 A 55 55 ARG CA C 55 54.000 54.995 -0.995 1
1 628 . 15 1 1 A 55 55 ARG CB C 55 29.800 29.591 0.209 1
1 631 . 15 1 1 A 55 55 ARG N N 55 120.800 119.201 1.599 1
1 633 . 15 1 1 A 56 56 THR H H 56 7.870 7.618 0.252 1
1 634 . 15 1 1 A 56 56 THR HA H 56 3.510 3.811 -0.301 1
1 639 . 15 1 1 A 56 56 THR CA C 56 67.500 67.095 0.405 1
1 640 . 15 1 1 A 56 56 THR CB C 56 68.000 68.648 -0.648 1
1 642 . 15 1 1 A 56 56 THR N N 56 117.300 114.637 2.663 1
1 643 . 15 1 1 A 57 57 ASP H H 57 8.450 8.114 0.336 1
1 644 . 15 1 1 A 57 57 ASP HA H 57 4.260 4.195 0.065 1
1 647 . 15 1 1 A 57 57 ASP CA C 57 57.900 57.419 0.481 1
1 648 . 15 1 1 A 57 57 ASP CB C 57 39.100 39.948 -0.848 1
1 649 . 15 1 1 A 57 57 ASP N N 57 120.300 119.585 0.715 1
1 650 . 15 1 1 A 58 58 ASP H H 58 7.540 8.061 -0.521 1
1 651 . 15 1 1 A 58 58 ASP HA H 58 4.170 4.149 0.021 1
1 654 . 15 1 1 A 58 58 ASP CA C 58 56.900 56.795 0.105 1
1 655 . 15 1 1 A 58 58 ASP CB C 58 38.400 39.603 -1.203 1
1 656 . 15 1 1 A 58 58 ASP N N 58 120.200 119.881 0.319 1
1 657 . 15 1 1 A 59 59 ALA H H 59 8.110 7.738 0.372 1
1 658 . 15 1 1 A 59 59 ALA HA H 59 3.760 4.018 -0.258 1
1 662 . 15 1 1 A 59 59 ALA CA C 59 56.000 55.068 0.932 1
1 663 . 15 1 1 A 59 59 ALA CB C 59 19.200 18.436 0.764 1
1 664 . 15 1 1 A 59 59 ALA N N 59 124.700 121.908 2.792 1
1 665 . 15 1 1 A 60 60 ILE H H 60 8.230 8.278 -0.048 1
1 666 . 15 1 1 A 60 60 ILE HA H 60 3.520 3.886 -0.366 1
1 676 . 15 1 1 A 60 60 ILE CA C 60 66.800 65.573 1.227 1
1 677 . 15 1 1 A 60 60 ILE CB C 60 38.400 37.840 0.560 1
1 681 . 15 1 1 A 60 60 ILE N N 60 117.600 118.017 -0.417 1
1 682 . 15 1 1 A 61 61 ASP H H 61 7.750 8.269 -0.519 1
1 683 . 15 1 1 A 61 61 ASP HA H 61 4.440 4.273 0.167 1
1 686 . 15 1 1 A 61 61 ASP CA C 61 57.100 57.307 -0.207 1
1 687 . 15 1 1 A 61 61 ASP CB C 61 40.500 41.236 -0.736 1
1 688 . 15 1 1 A 61 61 ASP N N 61 118.300 120.428 -2.128 1
1 689 . 15 1 1 A 62 62 THR H H 62 8.040 7.796 0.244 1
1 690 . 15 1 1 A 62 62 THR HA H 62 4.070 4.084 -0.014 1
1 695 . 15 1 1 A 62 62 THR CA C 62 68.000 66.399 1.601 1
1 696 . 15 1 1 A 62 62 THR CB C 62 68.600 68.422 0.178 1
1 698 . 15 1 1 A 62 62 THR N N 62 119.800 116.184 3.616 1
1 699 . 15 1 1 A 63 63 TYR H H 63 8.970 8.304 0.666 1
1 700 . 15 1 1 A 63 63 TYR HA H 63 4.480 4.544 -0.064 1
1 707 . 15 1 1 A 63 63 TYR CA C 63 59.200 60.838 -1.638 1
1 708 . 15 1 1 A 63 63 TYR CB C 63 37.700 37.214 0.486 1
1 711 . 15 1 1 A 63 63 TYR N N 63 121.700 120.910 0.790 1
1 712 . 15 1 1 A 64 64 ALA H H 64 8.690 8.280 0.410 1
1 713 . 15 1 1 A 64 64 ALA HA H 64 4.000 4.055 -0.055 1
1 717 . 15 1 1 A 64 64 ALA CA C 64 55.500 55.397 0.103 1
1 718 . 15 1 1 A 64 64 ALA CB C 64 17.800 18.182 -0.382 1
1 719 . 15 1 1 A 64 64 ALA N N 64 119.400 122.633 -3.233 1
1 720 . 15 1 1 A 65 65 GLN H H 65 8.100 7.679 0.421 1
1 721 . 15 1 1 A 65 65 GLN HA H 65 4.010 3.979 0.031 1
1 728 . 15 1 1 A 65 65 GLN CA C 65 58.600 58.920 -0.320 1
1 729 . 15 1 1 A 65 65 GLN CB C 65 28.500 28.181 0.319 1
1 731 . 15 1 1 A 65 65 GLN N N 65 119.600 118.677 0.923 1
1 733 . 15 1 1 A 66 66 GLY H H 66 8.430 8.404 0.026 1
1 734 . 15 1 1 A 66 66 GLY HA2 H 66 3.080 2.817 0.263 1
1 735 . 15 1 1 A 66 66 GLY HA3 H 66 2.520 3.389 -0.869 1
1 736 . 15 1 1 A 66 66 GLY CA C 66 46.800 46.854 -0.054 1
1 737 . 15 1 1 A 66 66 GLY N N 66 108.200 106.766 1.434 1
1 738 . 15 1 1 A 67 67 ILE H H 67 8.570 8.380 0.190 1
1 739 . 15 1 1 A 67 67 ILE HA H 67 3.320 3.812 -0.492 1
1 749 . 15 1 1 A 67 67 ILE CA C 67 65.900 64.165 1.735 1
1 750 . 15 1 1 A 67 67 ILE CB C 67 38.400 37.607 0.793 1
1 754 . 15 1 1 A 67 67 ILE N N 67 123.500 122.538 0.962 1
1 755 . 15 1 1 A 68 68 GLU H H 68 7.030 7.750 -0.720 1
1 756 . 15 1 1 A 68 68 GLU HA H 68 3.960 4.048 -0.088 1
1 761 . 15 1 1 A 68 68 GLU CA C 68 58.700 59.331 -0.631 1
1 762 . 15 1 1 A 68 68 GLU CB C 68 28.500 29.327 -0.827 1
1 764 . 15 1 1 A 68 68 GLU N N 68 116.500 119.843 -3.343 1
1 765 . 15 1 1 A 69 69 VAL H H 69 7.440 7.416 0.024 1
1 766 . 15 1 1 A 69 69 VAL HA H 69 3.740 3.900 -0.160 1
1 774 . 15 1 1 A 69 69 VAL CA C 69 65.700 64.193 1.507 1
1 775 . 15 1 1 A 69 69 VAL CB C 69 32.000 31.460 0.540 1
1 778 . 15 1 1 A 69 69 VAL N N 69 119.500 116.078 3.422 1
1 779 . 15 1 1 A 70 70 ALA H H 70 9.290 8.178 1.112 1
1 780 . 15 1 1 A 70 70 ALA HA H 70 3.820 4.007 -0.187 1
1 784 . 15 1 1 A 70 70 ALA CA C 70 54.400 55.585 -1.185 1
1 785 . 15 1 1 A 70 70 ALA CB C 70 18.000 18.142 -0.142 1
1 786 . 15 1 1 A 70 70 ALA N N 70 122.500 124.038 -1.538 1
1 787 . 15 1 1 A 71 71 ARG H H 71 8.280 7.993 0.287 1
1 788 . 15 1 1 A 71 71 ARG HA H 71 3.870 4.048 -0.178 1
1 796 . 15 1 1 A 71 71 ARG CA C 71 59.500 58.980 0.520 1
1 797 . 15 1 1 A 71 71 ARG CB C 71 30.000 29.941 0.059 1
1 800 . 15 1 1 A 71 71 ARG N N 71 116.900 117.066 -0.166 1
1 802 . 15 1 1 A 72 72 GLU H H 72 7.390 7.888 -0.498 1
1 803 . 15 1 1 A 72 72 GLU HA H 72 4.300 4.224 0.076 1
1 808 . 15 1 1 A 72 72 GLU CA C 72 57.700 58.750 -1.050 1
1 809 . 15 1 1 A 72 72 GLU CB C 72 30.500 30.414 0.086 1
1 811 . 15 1 1 A 72 72 GLU N N 72 116.800 118.723 -1.923 1
1 812 . 15 1 1 A 73 73 GLU H H 73 8.490 8.189 0.301 1
1 813 . 15 1 1 A 73 73 GLU HA H 73 4.550 4.180 0.370 1
1 818 . 15 1 1 A 73 73 GLU CA C 73 55.900 59.219 -3.319 1
1 819 . 15 1 1 A 73 73 GLU CB C 73 30.800 29.807 0.993 1
1 821 . 15 1 1 A 73 73 GLU N N 73 115.000 119.220 -4.220 1
1 822 . 15 1 1 A 74 74 GLY H H 74 8.070 7.801 0.269 1
1 823 . 15 1 1 A 74 74 GLY HA2 H 74 4.450 4.070 0.380 1
1 824 . 15 1 1 A 74 74 GLY HA3 H 74 3.830 4.073 -0.243 1
1 825 . 15 1 1 A 74 74 GLY CA C 74 44.600 44.297 0.303 1
1 826 . 15 1 1 A 74 74 GLY N N 74 108.100 109.322 -1.222 1
1 827 . 15 1 1 A 75 75 THR H H 75 8.760 7.874 0.886 1
1 828 . 15 1 1 A 75 75 THR HA H 75 4.670 4.839 -0.169 1
1 833 . 15 1 1 A 75 75 THR CA C 75 59.000 60.211 -1.211 1
1 834 . 15 1 1 A 75 75 THR CB C 75 70.900 70.589 0.311 1
1 836 . 15 1 1 A 75 75 THR N N 75 111.400 115.774 -4.374 1
1 837 . 15 1 1 A 76 76 GLN H H 76 8.710 8.769 -0.059 1
1 838 . 15 1 1 A 76 76 GLN HA H 76 3.940 4.003 -0.063 1
1 845 . 15 1 1 A 76 76 GLN CA C 76 58.700 58.973 -0.273 1
1 846 . 15 1 1 A 76 76 GLN CB C 76 27.900 28.229 -0.329 1
1 848 . 15 1 1 A 76 76 GLN N N 76 123.100 125.475 -2.375 1
1 850 . 15 1 1 A 77 77 LYS H H 77 8.240 8.257 -0.017 1
1 851 . 15 1 1 A 77 77 LYS HA H 77 4.000 4.031 -0.031 1
1 860 . 15 1 1 A 77 77 LYS CA C 77 59.200 59.736 -0.536 1
1 861 . 15 1 1 A 77 77 LYS CB C 77 31.900 32.150 -0.250 1
1 865 . 15 1 1 A 77 77 LYS N N 77 121.000 119.141 1.859 1
1 866 . 15 1 1 A 78 78 ASP H H 78 7.390 8.207 -0.817 1
1 867 . 15 1 1 A 78 78 ASP HA H 78 4.170 4.499 -0.329 1
1 870 . 15 1 1 A 78 78 ASP CA C 78 57.000 57.305 -0.305 1
1 871 . 15 1 1 A 78 78 ASP CB C 78 41.400 40.514 0.886 1
1 872 . 15 1 1 A 78 78 ASP N N 78 117.800 119.799 -1.999 1
1 873 . 15 1 1 A 79 79 LEU H H 79 7.690 8.007 -0.317 1
1 874 . 15 1 1 A 79 79 LEU HA H 79 3.770 4.090 -0.320 1
1 884 . 15 1 1 A 79 79 LEU CA C 79 58.100 58.104 -0.004 1
1 885 . 15 1 1 A 79 79 LEU CB C 79 42.100 41.360 0.740 1
1 889 . 15 1 1 A 79 79 LEU N N 79 118.400 122.472 -4.072 1
1 890 . 15 1 1 A 80 80 SER H H 80 8.400 8.303 0.097 1
1 891 . 15 1 1 A 80 80 SER HA H 80 4.170 4.041 0.129 1
1 894 . 15 1 1 A 80 80 SER CA C 80 61.500 61.578 -0.078 1
1 895 . 15 1 1 A 80 80 SER CB C 80 62.500 62.809 -0.309 1
1 896 . 15 1 1 A 80 80 SER N N 80 114.000 114.709 -0.709 1
1 897 . 15 1 1 A 81 81 GLU H H 81 7.930 7.562 0.368 1
1 898 . 15 1 1 A 81 81 GLU HA H 81 4.030 4.105 -0.075 1
1 903 . 15 1 1 A 81 81 GLU CA C 81 59.000 59.311 -0.311 1
1 904 . 15 1 1 A 81 81 GLU CB C 81 29.000 29.341 -0.341 1
1 906 . 15 1 1 A 81 81 GLU N N 81 121.000 122.190 -1.190 1
1 907 . 15 1 1 A 82 82 LEU H H 82 7.870 8.376 -0.506 1
1 908 . 15 1 1 A 82 82 LEU HA H 82 3.890 3.915 -0.025 1
1 918 . 15 1 1 A 82 82 LEU CA C 82 57.900 57.993 -0.093 1
1 919 . 15 1 1 A 82 82 LEU CB C 82 43.900 41.276 2.624 1
1 923 . 15 1 1 A 82 82 LEU N N 82 120.900 119.989 0.911 1
1 924 . 15 1 1 A 83 83 GLN H H 83 8.520 8.431 0.089 1
1 925 . 15 1 1 A 83 83 GLN HA H 83 3.900 3.900 0.000 1
1 932 . 15 1 1 A 83 83 GLN CA C 83 59.200 59.026 0.174 1
1 933 . 15 1 1 A 83 83 GLN CB C 83 28.300 28.404 -0.104 1
1 935 . 15 1 1 A 83 83 GLN N N 83 118.300 118.047 0.253 1
1 937 . 15 1 1 A 84 84 ASP H H 84 8.140 8.454 -0.314 1
1 938 . 15 1 1 A 84 84 ASP HA H 84 4.340 4.318 0.022 1
1 941 . 15 1 1 A 84 84 ASP CA C 84 57.100 57.735 -0.635 1
1 942 . 15 1 1 A 84 84 ASP CB C 84 41.000 41.755 -0.755 1
1 943 . 15 1 1 A 84 84 ASP N N 84 119.700 119.611 0.089 1
1 944 . 15 1 1 A 85 85 ALA H H 85 7.740 8.072 -0.332 1
1 945 . 15 1 1 A 85 85 ALA HA H 85 3.810 3.919 -0.109 1
1 949 . 15 1 1 A 85 85 ALA CA C 85 54.600 55.165 -0.565 1
1 950 . 15 1 1 A 85 85 ALA CB C 85 16.200 17.644 -1.444 1
1 951 . 15 1 1 A 85 85 ALA N N 85 121.600 121.284 0.316 1
1 952 . 15 1 1 A 86 86 LYS H H 86 8.070 7.433 0.637 1
1 953 . 15 1 1 A 86 86 LYS HA H 86 3.810 4.144 -0.334 1
1 962 . 15 1 1 A 86 86 LYS CA C 86 60.600 59.081 1.519 1
1 963 . 15 1 1 A 86 86 LYS CB C 86 33.300 31.836 1.464 1
1 967 . 15 1 1 A 86 86 LYS N N 86 120.200 116.550 3.650 1
1 968 . 15 1 1 A 87 87 LEU H H 87 7.780 8.017 -0.237 1
1 969 . 15 1 1 A 87 87 LEU HA H 87 4.160 4.007 0.153 1
1 979 . 15 1 1 A 87 87 LEU CA C 87 57.500 58.069 -0.569 1
1 980 . 15 1 1 A 87 87 LEU CB C 87 41.900 41.660 0.240 1
1 984 . 15 1 1 A 87 87 LEU N N 87 118.400 121.156 -2.756 1
1 985 . 15 1 1 A 88 88 LYS H H 88 7.900 8.176 -0.276 1
1 986 . 15 1 1 A 88 88 LYS HA H 88 3.960 4.034 -0.074 1
1 995 . 15 1 1 A 88 88 LYS CA C 88 59.200 59.066 0.134 1
1 996 . 15 1 1 A 88 88 LYS CB C 88 32.000 31.866 0.134 1
1 1000 . 15 1 1 A 88 88 LYS N N 88 118.700 117.751 0.949 1
1 1001 . 15 1 1 A 89 89 ALA H H 89 8.000 8.007 -0.007 1
1 1002 . 15 1 1 A 89 89 ALA HA H 89 4.150 4.079 0.071 1
1 1006 . 15 1 1 A 89 89 ALA CA C 89 54.500 54.917 -0.417 1
1 1007 . 15 1 1 A 89 89 ALA CB C 89 17.800 18.545 -0.745 1
1 1008 . 15 1 1 A 89 89 ALA N N 89 122.400 121.814 0.586 1
1 1009 . 15 1 1 A 90 90 GLU H H 90 8.300 8.225 0.075 1
1 1010 . 15 1 1 A 90 90 GLU HA H 90 3.930 4.394 -0.464 1
1 1015 . 15 1 1 A 90 90 GLU CA C 90 58.000 59.362 -1.362 1
1 1016 . 15 1 1 A 90 90 GLU CB C 90 29.700 29.460 0.240 1
1 1018 . 15 1 1 A 90 90 GLU N N 90 116.700 117.832 -1.132 1
1 1019 . 15 1 1 A 91 91 GLY H H 91 7.710 7.969 -0.259 1
1 1020 . 15 1 1 A 91 91 GLY HA2 H 91 4.070 3.919 0.151 1
1 1021 . 15 1 1 A 91 91 GLY HA3 H 91 3.870 3.958 -0.088 1
1 1022 . 15 1 1 A 91 91 GLY CA C 91 45.500 45.243 0.257 1
1 1023 . 15 1 1 A 91 91 GLY N N 91 106.000 108.266 -2.266 1
1 1024 . 15 1 1 A 92 92 LEU H H 92 7.640 7.403 0.237 1
1 1025 . 15 1 1 A 92 92 LEU HA H 92 4.270 4.212 0.058 1
1 1035 . 15 1 1 A 92 92 LEU CA C 92 55.200 56.149 -0.949 1
1 1036 . 15 1 1 A 92 92 LEU CB C 92 42.100 42.877 -0.777 1
1 1040 . 15 1 1 A 92 92 LEU N N 92 121.200 120.304 0.896 1
1 1041 . 15 1 1 A 93 93 GLU H H 93 8.290 7.352 0.938 1
1 1042 . 15 1 1 A 93 93 GLU HA H 93 4.130 4.544 -0.414 1
1 1047 . 15 1 1 A 93 93 GLU CA C 93 56.700 55.053 1.647 1
1 1048 . 15 1 1 A 93 93 GLU CB C 93 29.700 31.075 -1.375 1
1 1050 . 15 1 1 A 93 93 GLU N N 93 120.200 113.241 6.959 1
1 1051 . 15 1 1 A 94 94 HIS H H 94 8.260 8.787 -0.527 1
1 1052 . 15 1 1 A 94 94 HIS HA H 94 4.560 4.538 0.022 1
1 1055 . 15 1 1 A 94 94 HIS CA C 94 55.400 55.331 0.069 1
1 1056 . 15 1 1 A 94 94 HIS CB C 94 29.700 28.144 1.556 1
1 1057 . 15 1 1 A 94 94 HIS N N 94 118.900 120.041 -1.141 1
1 1058 . 15 1 1 A 95 95 HIS H H 95 8.170 7.958 0.212 1
1 1059 . 15 1 1 A 95 95 HIS HA H 95 4.410 4.343 0.067 1
1 1062 . 15 1 1 A 95 95 HIS CA C 95 57.000 59.068 -2.068 1
1 1063 . 15 1 1 A 95 95 HIS CB C 95 30.000 30.607 -0.607 1
1 9 . 16 1 1 A 2 2 ASP H H 2 8.560 7.316 1.244 1
1 10 . 16 1 1 A 2 2 ASP HA H 2 4.850 4.802 0.048 1
1 13 . 16 1 1 A 2 2 ASP CA C 2 52.200 53.258 -1.058 1
1 14 . 16 1 1 A 2 2 ASP CB C 2 40.900 39.674 1.226 1
1 15 . 16 1 1 A 2 2 ASP N N 2 123.000 120.675 2.325 1
1 16 . 16 1 1 A 3 3 PRO HA H 3 4.380 4.273 0.107 1
1 23 . 16 1 1 A 3 3 PRO CA C 3 63.500 64.380 -0.880 1
1 24 . 16 1 1 A 3 3 PRO CB C 3 32.100 31.890 0.210 1
1 27 . 16 1 1 A 4 4 GLU H H 4 8.410 8.723 -0.313 1
1 28 . 16 1 1 A 4 4 GLU HA H 4 4.250 4.082 0.168 1
1 33 . 16 1 1 A 4 4 GLU CA C 4 55.900 59.351 -3.451 1
1 34 . 16 1 1 A 4 4 GLU CB C 4 30.100 29.457 0.643 1
1 36 . 16 1 1 A 4 4 GLU N N 4 118.300 117.718 0.582 1
1 37 . 16 1 1 A 5 5 ASP H H 5 8.030 7.700 0.330 1
1 38 . 16 1 1 A 5 5 ASP HA H 5 4.730 4.787 -0.057 1
1 41 . 16 1 1 A 5 5 ASP CA C 5 52.600 52.367 0.233 1
1 42 . 16 1 1 A 5 5 ASP CB C 5 41.700 40.657 1.043 1
1 43 . 16 1 1 A 5 5 ASP N N 5 123.700 120.088 3.612 1
1 44 . 16 1 1 A 6 6 PRO HA H 6 3.940 4.271 -0.331 1
1 51 . 16 1 1 A 6 6 PRO CA C 6 64.900 65.045 -0.145 1
1 52 . 16 1 1 A 6 6 PRO CB C 6 31.000 31.713 -0.713 1
1 55 . 16 1 1 A 7 7 PHE H H 7 8.130 7.737 0.393 1
1 56 . 16 1 1 A 7 7 PHE HA H 7 4.220 4.128 0.092 1
1 64 . 16 1 1 A 7 7 PHE CA C 7 60.800 61.686 -0.886 1
1 65 . 16 1 1 A 7 7 PHE CB C 7 38.300 39.622 -1.322 1
1 69 . 16 1 1 A 7 7 PHE N N 7 117.200 118.842 -1.642 1
1 70 . 16 1 1 A 8 8 THR H H 8 7.830 7.995 -0.165 1
1 71 . 16 1 1 A 8 8 THR HA H 8 3.710 3.999 -0.289 1
1 76 . 16 1 1 A 8 8 THR CA C 8 66.200 67.027 -0.827 1
1 77 . 16 1 1 A 8 8 THR CB C 8 68.300 68.595 -0.295 1
1 79 . 16 1 1 A 8 8 THR N N 8 115.700 115.312 0.388 1
1 80 . 16 1 1 A 9 9 ARG H H 9 7.300 8.425 -1.125 1
1 81 . 16 1 1 A 9 9 ARG HA H 9 3.840 4.015 -0.175 1
1 89 . 16 1 1 A 9 9 ARG CA C 9 59.700 58.590 1.110 1
1 90 . 16 1 1 A 9 9 ARG CB C 9 30.400 29.936 0.464 1
1 93 . 16 1 1 A 9 9 ARG N N 9 121.400 119.957 1.443 1
1 95 . 16 1 1 A 10 10 TYR H H 10 8.480 8.213 0.267 1
1 96 . 16 1 1 A 10 10 TYR HA H 10 3.800 3.896 -0.096 1
1 103 . 16 1 1 A 10 10 TYR CA C 10 61.400 61.630 -0.230 1
1 104 . 16 1 1 A 10 10 TYR CB C 10 38.300 38.288 0.012 1
1 107 . 16 1 1 A 10 10 TYR N N 10 121.700 121.273 0.427 1
1 108 . 16 1 1 A 11 11 ALA H H 11 8.500 8.242 0.258 1
1 109 . 16 1 1 A 11 11 ALA HA H 11 3.700 3.749 -0.049 1
1 113 . 16 1 1 A 11 11 ALA CA C 11 54.400 54.992 -0.592 1
1 114 . 16 1 1 A 11 11 ALA CB C 11 17.300 17.628 -0.328 1
1 115 . 16 1 1 A 11 11 ALA N N 11 121.700 121.370 0.330 1
1 116 . 16 1 1 A 12 12 LEU H H 12 7.690 8.150 -0.460 1
1 117 . 16 1 1 A 12 12 LEU HA H 12 3.920 3.857 0.063 1
1 127 . 16 1 1 A 12 12 LEU CA C 12 57.100 57.781 -0.681 1
1 128 . 16 1 1 A 12 12 LEU CB C 12 41.500 41.007 0.493 1
1 132 . 16 1 1 A 12 12 LEU N N 12 120.900 118.263 2.637 1
1 133 . 16 1 1 A 13 13 ALA H H 13 8.010 7.885 0.125 1
1 134 . 16 1 1 A 13 13 ALA HA H 13 3.500 3.859 -0.359 1
1 138 . 16 1 1 A 13 13 ALA CA C 13 55.400 55.307 0.093 1
1 139 . 16 1 1 A 13 13 ALA CB C 13 17.400 17.752 -0.352 1
1 140 . 16 1 1 A 13 13 ALA N N 13 123.000 121.911 1.089 1
1 141 . 16 1 1 A 14 14 GLN H H 14 7.660 7.819 -0.159 1
1 142 . 16 1 1 A 14 14 GLN HA H 14 3.910 3.978 -0.068 1
1 149 . 16 1 1 A 14 14 GLN CA C 14 58.200 58.634 -0.434 1
1 150 . 16 1 1 A 14 14 GLN CB C 14 27.700 28.248 -0.548 1
1 152 . 16 1 1 A 14 14 GLN N N 14 114.000 116.983 -2.983 1
1 154 . 16 1 1 A 15 15 GLU H H 15 7.900 8.079 -0.179 1
1 155 . 16 1 1 A 15 15 GLU HA H 15 3.900 3.771 0.129 1
1 160 . 16 1 1 A 15 15 GLU CA C 15 58.800 59.278 -0.478 1
1 161 . 16 1 1 A 15 15 GLU CB C 15 28.600 29.261 -0.661 1
1 163 . 16 1 1 A 15 15 GLU N N 15 122.400 120.850 1.550 1
1 164 . 16 1 1 A 16 16 HIS H H 16 8.220 7.924 0.296 1
1 165 . 16 1 1 A 16 16 HIS HA H 16 4.520 4.445 0.075 1
1 170 . 16 1 1 A 16 16 HIS CA C 16 59.700 59.067 0.633 1
1 171 . 16 1 1 A 16 16 HIS CB C 16 29.600 29.820 -0.220 1
1 174 . 16 1 1 A 16 16 HIS N N 16 119.100 119.030 0.070 1
1 175 . 16 1 1 A 17 17 LEU H H 17 8.090 8.344 -0.254 1
1 176 . 16 1 1 A 17 17 LEU HA H 17 3.870 3.828 0.042 1
1 186 . 16 1 1 A 17 17 LEU CA C 17 57.900 58.117 -0.217 1
1 187 . 16 1 1 A 17 17 LEU CB C 17 41.400 41.708 -0.308 1
1 191 . 16 1 1 A 17 17 LEU N N 17 120.500 119.972 0.528 1
1 192 . 16 1 1 A 18 18 LYS H H 18 7.960 7.628 0.332 1
1 193 . 16 1 1 A 18 18 LYS HA H 18 4.030 3.917 0.113 1
1 202 . 16 1 1 A 18 18 LYS CA C 18 58.400 58.875 -0.475 1
1 203 . 16 1 1 A 18 18 LYS CB C 18 31.800 32.266 -0.466 1
1 207 . 16 1 1 A 18 18 LYS N N 18 121.000 117.640 3.360 1
1 208 . 16 1 1 A 19 19 HIS H H 19 7.410 7.696 -0.286 1
1 209 . 16 1 1 A 19 19 HIS HA H 19 4.720 4.598 0.122 1
1 213 . 16 1 1 A 19 19 HIS CA C 19 54.700 55.668 -0.968 1
1 214 . 16 1 1 A 19 19 HIS CB C 19 28.500 29.539 -1.039 1
1 216 . 16 1 1 A 19 19 HIS N N 19 115.800 115.198 0.602 1
1 217 . 16 1 1 A 20 20 ASP H H 20 8.010 8.199 -0.189 1
1 218 . 16 1 1 A 20 20 ASP HA H 20 4.370 4.176 0.194 1
1 221 . 16 1 1 A 20 20 ASP CA C 20 55.600 55.652 -0.052 1
1 222 . 16 1 1 A 20 20 ASP CB C 20 39.600 40.738 -1.138 1
1 223 . 16 1 1 A 20 20 ASP N N 20 115.900 117.833 -1.933 1
1 224 . 16 1 1 A 21 21 ASN H H 21 8.450 8.622 -0.172 1
1 225 . 16 1 1 A 21 21 ASN HA H 21 5.130 5.059 0.071 1
1 230 . 16 1 1 A 21 21 ASN CA C 21 50.600 51.703 -1.103 1
1 231 . 16 1 1 A 21 21 ASN CB C 21 37.000 36.973 0.027 1
1 232 . 16 1 1 A 21 21 ASN N N 21 118.700 117.781 0.919 1
1 234 . 16 1 1 A 22 22 ALA H H 22 8.010 8.426 -0.416 1
1 235 . 16 1 1 A 22 22 ALA HA H 22 3.840 4.035 -0.195 1
1 239 . 16 1 1 A 22 22 ALA CA C 22 55.300 55.249 0.051 1
1 240 . 16 1 1 A 22 22 ALA CB C 22 18.300 18.567 -0.267 1
1 241 . 16 1 1 A 22 22 ALA N N 22 123.300 126.062 -2.762 1
1 242 . 16 1 1 A 23 23 SER H H 23 8.670 8.144 0.526 1
1 243 . 16 1 1 A 23 23 SER HA H 23 4.070 4.192 -0.122 1
1 246 . 16 1 1 A 23 23 SER CA C 23 61.800 60.294 1.506 1
1 247 . 16 1 1 A 23 23 SER CB C 23 61.900 62.892 -0.992 1
1 248 . 16 1 1 A 23 23 SER N N 23 112.500 113.462 -0.962 1
1 249 . 16 1 1 A 24 24 ARG H H 24 7.230 7.855 -0.625 1
1 250 . 16 1 1 A 24 24 ARG HA H 24 3.960 3.889 0.071 1
1 257 . 16 1 1 A 24 24 ARG CA C 24 57.000 59.425 -2.425 1
1 258 . 16 1 1 A 24 24 ARG CB C 24 29.100 29.864 -0.764 1
1 261 . 16 1 1 A 24 24 ARG N N 24 122.300 121.704 0.596 1
1 262 . 16 1 1 A 25 25 ALA H H 25 7.340 7.639 -0.299 1
1 263 . 16 1 1 A 25 25 ALA HA H 25 3.570 3.918 -0.348 1
1 267 . 16 1 1 A 25 25 ALA CA C 25 55.300 55.072 0.228 1
1 268 . 16 1 1 A 25 25 ALA CB C 25 18.700 18.203 0.497 1
1 269 . 16 1 1 A 25 25 ALA N N 25 120.200 121.620 -1.420 1
1 270 . 16 1 1 A 26 26 LEU H H 26 8.420 8.242 0.178 1
1 271 . 16 1 1 A 26 26 LEU HA H 26 3.800 4.250 -0.450 1
1 281 . 16 1 1 A 26 26 LEU CA C 26 58.300 57.941 0.359 1
1 282 . 16 1 1 A 26 26 LEU CB C 26 41.800 41.374 0.426 1
1 286 . 16 1 1 A 26 26 LEU N N 26 116.500 120.020 -3.520 1
1 287 . 16 1 1 A 27 27 ALA H H 27 7.190 8.362 -1.172 1
1 288 . 16 1 1 A 27 27 ALA HA H 27 4.120 3.998 0.122 1
1 292 . 16 1 1 A 27 27 ALA CA C 27 54.700 55.124 -0.424 1
1 293 . 16 1 1 A 27 27 ALA CB C 27 18.000 18.113 -0.113 1
1 294 . 16 1 1 A 27 27 ALA N N 27 118.200 120.553 -2.353 1
1 295 . 16 1 1 A 28 28 LEU H H 28 7.500 7.808 -0.308 1
1 296 . 16 1 1 A 28 28 LEU HA H 28 4.070 3.858 0.212 1
1 306 . 16 1 1 A 28 28 LEU CA C 28 57.600 57.343 0.257 1
1 307 . 16 1 1 A 28 28 LEU CB C 28 43.100 42.381 0.719 1
1 311 . 16 1 1 A 28 28 LEU N N 28 118.300 118.744 -0.444 1
1 312 . 16 1 1 A 29 29 PHE H H 29 8.690 8.236 0.454 1
1 313 . 16 1 1 A 29 29 PHE HA H 29 4.630 4.293 0.337 1
1 321 . 16 1 1 A 29 29 PHE CA C 29 58.700 60.871 -2.171 1
1 322 . 16 1 1 A 29 29 PHE CB C 29 40.300 38.509 1.791 1
1 326 . 16 1 1 A 29 29 PHE N N 29 119.000 117.533 1.467 1
1 327 . 16 1 1 A 30 30 GLU H H 30 8.990 8.698 0.292 1
1 328 . 16 1 1 A 30 30 GLU HA H 30 3.790 3.971 -0.181 1
1 333 . 16 1 1 A 30 30 GLU CA C 30 60.100 60.102 -0.002 1
1 334 . 16 1 1 A 30 30 GLU CB C 30 29.100 29.159 -0.059 1
1 336 . 16 1 1 A 30 30 GLU N N 30 117.400 118.323 -0.923 1
1 337 . 16 1 1 A 31 31 GLU H H 31 7.830 7.751 0.079 1
1 338 . 16 1 1 A 31 31 GLU HA H 31 4.160 4.175 -0.015 1
1 343 . 16 1 1 A 31 31 GLU CA C 31 58.800 58.841 -0.041 1
1 344 . 16 1 1 A 31 31 GLU CB C 31 29.900 29.440 0.460 1
1 346 . 16 1 1 A 31 31 GLU N N 31 119.500 119.462 0.038 1
1 347 . 16 1 1 A 32 32 LEU H H 32 7.920 8.398 -0.478 1
1 348 . 16 1 1 A 32 32 LEU HA H 32 4.130 4.322 -0.192 1
1 358 . 16 1 1 A 32 32 LEU CA C 32 58.200 58.173 0.027 1
1 359 . 16 1 1 A 32 32 LEU CB C 32 43.000 41.363 1.637 1
1 363 . 16 1 1 A 32 32 LEU N N 32 122.000 120.258 1.742 1
1 364 . 16 1 1 A 33 33 VAL H H 33 7.460 7.649 -0.189 1
1 365 . 16 1 1 A 33 33 VAL HA H 33 3.590 3.272 0.318 1
1 373 . 16 1 1 A 33 33 VAL CA C 33 65.800 66.944 -1.144 1
1 374 . 16 1 1 A 33 33 VAL CB C 33 31.500 31.310 0.190 1
1 377 . 16 1 1 A 33 33 VAL N N 33 116.000 119.175 -3.175 1
1 378 . 16 1 1 A 34 34 GLU H H 34 7.210 7.941 -0.731 1
1 379 . 16 1 1 A 34 34 GLU HA H 34 4.130 4.155 -0.025 1
1 384 . 16 1 1 A 34 34 GLU CA C 34 58.500 59.131 -0.631 1
1 385 . 16 1 1 A 34 34 GLU CB C 34 29.900 29.378 0.522 1
1 387 . 16 1 1 A 34 34 GLU N N 34 117.400 119.517 -2.117 1
1 388 . 16 1 1 A 35 35 THR H H 35 9.100 7.727 1.373 1
1 389 . 16 1 1 A 35 35 THR HA H 35 4.180 4.177 0.003 1
1 394 . 16 1 1 A 35 35 THR CA C 35 63.900 65.122 -1.222 1
1 395 . 16 1 1 A 35 35 THR CB C 35 69.300 68.801 0.499 1
1 397 . 16 1 1 A 35 35 THR N N 35 109.900 111.595 -1.695 1
1 398 . 16 1 1 A 36 36 ASP H H 36 8.630 8.124 0.506 1
1 399 . 16 1 1 A 36 36 ASP HA H 36 5.300 5.138 0.162 1
1 402 . 16 1 1 A 36 36 ASP CA C 36 52.700 51.622 1.078 1
1 403 . 16 1 1 A 36 36 ASP CB C 36 42.400 41.567 0.833 1
1 404 . 16 1 1 A 36 36 ASP N N 36 122.800 120.459 2.341 1
1 405 . 16 1 1 A 37 37 PRO HA H 37 4.560 4.801 -0.241 1
1 412 . 16 1 1 A 37 37 PRO CA C 37 64.400 64.361 0.039 1
1 413 . 16 1 1 A 37 37 PRO CB C 37 31.100 31.932 -0.832 1
1 416 . 16 1 1 A 38 38 ASP H H 38 8.630 8.498 0.132 1
1 417 . 16 1 1 A 38 38 ASP HA H 38 4.570 4.632 -0.062 1
1 420 . 16 1 1 A 38 38 ASP CA C 38 53.800 55.751 -1.951 1
1 421 . 16 1 1 A 38 38 ASP CB C 38 39.500 40.585 -1.085 1
1 422 . 16 1 1 A 38 38 ASP N N 38 113.700 116.792 -3.092 1
1 423 . 16 1 1 A 39 39 TYR H H 39 8.110 7.897 0.213 1
1 424 . 16 1 1 A 39 39 TYR HA H 39 4.540 4.717 -0.177 1
1 431 . 16 1 1 A 39 39 TYR CA C 39 58.500 56.194 2.306 1
1 432 . 16 1 1 A 39 39 TYR CB C 39 36.500 37.744 -1.244 1
1 435 . 16 1 1 A 39 39 TYR N N 39 123.700 120.974 2.726 1
1 436 . 16 1 1 A 40 40 VAL H H 40 7.880 7.784 0.096 1
1 437 . 16 1 1 A 40 40 VAL HA H 40 3.770 3.908 -0.138 1
1 445 . 16 1 1 A 40 40 VAL CA C 40 65.000 66.442 -1.442 1
1 446 . 16 1 1 A 40 40 VAL CB C 40 32.500 31.533 0.967 1
1 449 . 16 1 1 A 40 40 VAL N N 40 128.100 125.730 2.370 1
1 450 . 16 1 1 A 41 41 GLY H H 41 7.530 7.996 -0.466 1
1 451 . 16 1 1 A 41 41 GLY HA2 H 41 3.410 3.776 -0.366 1
1 452 . 16 1 1 A 41 41 GLY HA3 H 41 3.880 4.025 -0.145 1
1 453 . 16 1 1 A 41 41 GLY CA C 41 46.400 47.351 -0.951 1
1 454 . 16 1 1 A 41 41 GLY N N 41 105.900 108.136 -2.236 1
1 455 . 16 1 1 A 42 42 THR H H 42 7.150 7.875 -0.725 1
1 456 . 16 1 1 A 42 42 THR HA H 42 3.580 4.454 -0.874 1
1 462 . 16 1 1 A 42 42 THR CA C 42 65.600 66.913 -1.313 1
1 463 . 16 1 1 A 42 42 THR CB C 42 68.900 68.662 0.238 1
1 465 . 16 1 1 A 42 42 THR N N 42 111.900 118.439 -6.539 1
1 466 . 16 1 1 A 43 43 TYR H H 43 7.040 8.545 -1.505 1
1 467 . 16 1 1 A 43 43 TYR HA H 43 3.460 4.315 -0.855 1
1 474 . 16 1 1 A 43 43 TYR CA C 43 64.100 60.559 3.541 1
1 475 . 16 1 1 A 43 43 TYR CB C 43 38.300 38.485 -0.185 1
1 478 . 16 1 1 A 43 43 TYR N N 43 113.500 120.762 -7.262 1
1 479 . 16 1 1 A 44 44 TYR H H 44 9.770 8.151 1.619 1
1 480 . 16 1 1 A 44 44 TYR HA H 44 3.990 4.526 -0.536 1
1 487 . 16 1 1 A 44 44 TYR CA C 44 61.900 62.080 -0.180 1
1 488 . 16 1 1 A 44 44 TYR CB C 44 38.800 39.064 -0.264 1
1 491 . 16 1 1 A 44 44 TYR N N 44 119.800 120.747 -0.947 1
1 492 . 16 1 1 A 45 45 HIS H H 45 6.380 8.351 -1.971 1
1 493 . 16 1 1 A 45 45 HIS HA H 45 3.770 4.287 -0.517 1
1 498 . 16 1 1 A 45 45 HIS CA C 45 58.500 59.603 -1.103 1
1 499 . 16 1 1 A 45 45 HIS CB C 45 31.600 30.188 1.412 1
1 502 . 16 1 1 A 45 45 HIS N N 45 114.500 117.070 -2.570 1
1 503 . 16 1 1 A 46 46 LEU H H 46 8.360 8.402 -0.042 1
1 504 . 16 1 1 A 46 46 LEU HA H 46 3.660 3.333 0.327 1
1 514 . 16 1 1 A 46 46 LEU CA C 46 57.100 57.651 -0.551 1
1 515 . 16 1 1 A 46 46 LEU CB C 46 40.800 41.753 -0.953 1
1 519 . 16 1 1 A 46 46 LEU N N 46 121.100 120.729 0.371 1
1 520 . 16 1 1 A 47 47 GLY H H 47 8.440 8.038 0.402 1
1 521 . 16 1 1 A 47 47 GLY HA2 H 47 3.350 3.183 0.167 1
1 522 . 16 1 1 A 47 47 GLY HA3 H 47 3.530 3.715 -0.185 1
1 523 . 16 1 1 A 47 47 GLY CA C 47 47.200 46.914 0.286 1
1 524 . 16 1 1 A 47 47 GLY N N 47 106.500 106.281 0.219 1
1 525 . 16 1 1 A 48 48 LYS H H 48 7.970 7.559 0.411 1
1 526 . 16 1 1 A 48 48 LYS HA H 48 3.800 3.948 -0.148 1
1 535 . 16 1 1 A 48 48 LYS CA C 48 58.200 59.390 -1.190 1
1 536 . 16 1 1 A 48 48 LYS CB C 48 31.600 32.291 -0.691 1
1 540 . 16 1 1 A 48 48 LYS N N 48 120.500 122.005 -1.505 1
1 541 . 16 1 1 A 49 49 LEU H H 49 7.800 7.472 0.328 1
1 542 . 16 1 1 A 49 49 LEU HA H 49 4.170 3.881 0.289 1
1 552 . 16 1 1 A 49 49 LEU CA C 49 57.500 57.449 0.051 1
1 553 . 16 1 1 A 49 49 LEU CB C 49 41.000 41.526 -0.526 1
1 557 . 16 1 1 A 49 49 LEU N N 49 124.000 120.560 3.440 1
1 558 . 16 1 1 A 50 50 TYR H H 50 8.610 7.841 0.769 1
1 559 . 16 1 1 A 50 50 TYR HA H 50 4.420 4.334 0.086 1
1 566 . 16 1 1 A 50 50 TYR CA C 50 59.600 60.786 -1.186 1
1 567 . 16 1 1 A 50 50 TYR CB C 50 35.600 38.035 -2.435 1
1 570 . 16 1 1 A 50 50 TYR N N 50 119.000 118.747 0.253 1
1 571 . 16 1 1 A 51 51 GLU H H 51 8.410 8.347 0.063 1
1 572 . 16 1 1 A 51 51 GLU HA H 51 3.760 3.913 -0.153 1
1 577 . 16 1 1 A 51 51 GLU CA C 51 61.600 59.931 1.669 1
1 578 . 16 1 1 A 51 51 GLU CB C 51 29.800 29.283 0.517 1
1 580 . 16 1 1 A 51 51 GLU N N 51 118.600 118.781 -0.181 1
1 581 . 16 1 1 A 52 52 ARG H H 52 7.910 7.717 0.193 1
1 582 . 16 1 1 A 52 52 ARG HA H 52 4.150 4.096 0.054 1
1 589 . 16 1 1 A 52 52 ARG CA C 52 58.600 58.745 -0.145 1
1 590 . 16 1 1 A 52 52 ARG CB C 52 29.600 29.880 -0.280 1
1 593 . 16 1 1 A 52 52 ARG N N 52 122.200 120.246 1.954 1
1 594 . 16 1 1 A 53 53 LEU H H 53 7.740 7.488 0.252 1
1 595 . 16 1 1 A 53 53 LEU HA H 53 4.400 4.374 0.026 1
1 605 . 16 1 1 A 53 53 LEU CA C 53 54.100 54.693 -0.593 1
1 606 . 16 1 1 A 53 53 LEU CB C 53 41.400 41.941 -0.541 1
1 610 . 16 1 1 A 53 53 LEU N N 53 119.400 117.979 1.421 1
1 611 . 16 1 1 A 54 54 ASP H H 54 8.090 8.344 -0.254 1
1 612 . 16 1 1 A 54 54 ASP HA H 54 4.410 4.277 0.133 1
1 615 . 16 1 1 A 54 54 ASP CA C 54 55.500 55.574 -0.074 1
1 616 . 16 1 1 A 54 54 ASP CB C 54 38.900 40.654 -1.754 1
1 617 . 16 1 1 A 54 54 ASP N N 54 116.300 118.549 -2.249 1
1 618 . 16 1 1 A 55 55 ARG H H 55 8.420 8.384 0.036 1
1 619 . 16 1 1 A 55 55 ARG HA H 55 4.680 4.600 0.080 1
1 627 . 16 1 1 A 55 55 ARG CA C 55 54.000 54.676 -0.676 1
1 628 . 16 1 1 A 55 55 ARG CB C 55 29.800 28.239 1.561 1
1 631 . 16 1 1 A 55 55 ARG N N 55 120.800 120.038 0.762 1
1 633 . 16 1 1 A 56 56 THR H H 56 7.870 7.990 -0.120 1
1 634 . 16 1 1 A 56 56 THR HA H 56 3.510 3.784 -0.274 1
1 639 . 16 1 1 A 56 56 THR CA C 56 67.500 67.343 0.157 1
1 640 . 16 1 1 A 56 56 THR CB C 56 68.000 68.654 -0.654 1
1 642 . 16 1 1 A 56 56 THR N N 56 117.300 116.041 1.259 1
1 643 . 16 1 1 A 57 57 ASP H H 57 8.450 8.393 0.057 1
1 644 . 16 1 1 A 57 57 ASP HA H 57 4.260 4.265 -0.005 1
1 647 . 16 1 1 A 57 57 ASP CA C 57 57.900 57.457 0.443 1
1 648 . 16 1 1 A 57 57 ASP CB C 57 39.100 39.948 -0.848 1
1 649 . 16 1 1 A 57 57 ASP N N 57 120.300 120.197 0.103 1
1 650 . 16 1 1 A 58 58 ASP H H 58 7.540 7.927 -0.387 1
1 651 . 16 1 1 A 58 58 ASP HA H 58 4.170 4.123 0.047 1
1 654 . 16 1 1 A 58 58 ASP CA C 58 56.900 56.776 0.124 1
1 655 . 16 1 1 A 58 58 ASP CB C 58 38.400 39.544 -1.144 1
1 656 . 16 1 1 A 58 58 ASP N N 58 120.200 119.628 0.572 1
1 657 . 16 1 1 A 59 59 ALA H H 59 8.110 7.807 0.303 1
1 658 . 16 1 1 A 59 59 ALA HA H 59 3.760 3.948 -0.188 1
1 662 . 16 1 1 A 59 59 ALA CA C 59 56.000 55.044 0.956 1
1 663 . 16 1 1 A 59 59 ALA CB C 59 19.200 18.587 0.613 1
1 664 . 16 1 1 A 59 59 ALA N N 59 124.700 122.108 2.592 1
1 665 . 16 1 1 A 60 60 ILE H H 60 8.230 8.269 -0.039 1
1 666 . 16 1 1 A 60 60 ILE HA H 60 3.520 3.836 -0.316 1
1 676 . 16 1 1 A 60 60 ILE CA C 60 66.800 65.565 1.235 1
1 677 . 16 1 1 A 60 60 ILE CB C 60 38.400 37.818 0.582 1
1 681 . 16 1 1 A 60 60 ILE N N 60 117.600 117.970 -0.370 1
1 682 . 16 1 1 A 61 61 ASP H H 61 7.750 8.135 -0.385 1
1 683 . 16 1 1 A 61 61 ASP HA H 61 4.440 4.300 0.140 1
1 686 . 16 1 1 A 61 61 ASP CA C 61 57.100 57.377 -0.277 1
1 687 . 16 1 1 A 61 61 ASP CB C 61 40.500 41.494 -0.994 1
1 688 . 16 1 1 A 61 61 ASP N N 61 118.300 120.364 -2.064 1
1 689 . 16 1 1 A 62 62 THR H H 62 8.040 7.977 0.063 1
1 690 . 16 1 1 A 62 62 THR HA H 62 4.070 4.019 0.051 1
1 695 . 16 1 1 A 62 62 THR CA C 62 68.000 66.684 1.316 1
1 696 . 16 1 1 A 62 62 THR CB C 62 68.600 68.420 0.180 1
1 698 . 16 1 1 A 62 62 THR N N 62 119.800 115.785 4.015 1
1 699 . 16 1 1 A 63 63 TYR H H 63 8.970 7.901 1.069 1
1 700 . 16 1 1 A 63 63 TYR HA H 63 4.480 4.406 0.074 1
1 707 . 16 1 1 A 63 63 TYR CA C 63 59.200 61.391 -2.191 1
1 708 . 16 1 1 A 63 63 TYR CB C 63 37.700 37.355 0.345 1
1 711 . 16 1 1 A 63 63 TYR N N 63 121.700 120.798 0.902 1
1 712 . 16 1 1 A 64 64 ALA H H 64 8.690 8.206 0.484 1
1 713 . 16 1 1 A 64 64 ALA HA H 64 4.000 3.994 0.006 1
1 717 . 16 1 1 A 64 64 ALA CA C 64 55.500 55.426 0.074 1
1 718 . 16 1 1 A 64 64 ALA CB C 64 17.800 17.948 -0.148 1
1 719 . 16 1 1 A 64 64 ALA N N 64 119.400 122.660 -3.260 1
1 720 . 16 1 1 A 65 65 GLN H H 65 8.100 8.131 -0.031 1
1 721 . 16 1 1 A 65 65 GLN HA H 65 4.010 4.088 -0.078 1
1 728 . 16 1 1 A 65 65 GLN CA C 65 58.600 58.785 -0.185 1
1 729 . 16 1 1 A 65 65 GLN CB C 65 28.500 28.518 -0.018 1
1 731 . 16 1 1 A 65 65 GLN N N 65 119.600 117.485 2.115 1
1 733 . 16 1 1 A 66 66 GLY H H 66 8.430 8.152 0.278 1
1 734 . 16 1 1 A 66 66 GLY HA2 H 66 3.080 2.964 0.116 1
1 735 . 16 1 1 A 66 66 GLY HA3 H 66 2.520 3.616 -1.096 1
1 736 . 16 1 1 A 66 66 GLY CA C 66 46.800 47.036 -0.236 1
1 737 . 16 1 1 A 66 66 GLY N N 66 108.200 108.947 -0.747 1
1 738 . 16 1 1 A 67 67 ILE H H 67 8.570 8.478 0.092 1
1 739 . 16 1 1 A 67 67 ILE HA H 67 3.320 3.802 -0.482 1
1 749 . 16 1 1 A 67 67 ILE CA C 67 65.900 64.305 1.595 1
1 750 . 16 1 1 A 67 67 ILE CB C 67 38.400 37.426 0.974 1
1 754 . 16 1 1 A 67 67 ILE N N 67 123.500 122.427 1.073 1
1 755 . 16 1 1 A 68 68 GLU H H 68 7.030 7.703 -0.673 1
1 756 . 16 1 1 A 68 68 GLU HA H 68 3.960 4.048 -0.088 1
1 761 . 16 1 1 A 68 68 GLU CA C 68 58.700 59.309 -0.609 1
1 762 . 16 1 1 A 68 68 GLU CB C 68 28.500 29.254 -0.754 1
1 764 . 16 1 1 A 68 68 GLU N N 68 116.500 119.120 -2.620 1
1 765 . 16 1 1 A 69 69 VAL H H 69 7.440 7.342 0.098 1
1 766 . 16 1 1 A 69 69 VAL HA H 69 3.740 3.964 -0.224 1
1 774 . 16 1 1 A 69 69 VAL CA C 69 65.700 63.420 2.280 1
1 775 . 16 1 1 A 69 69 VAL CB C 69 32.000 31.845 0.155 1
1 778 . 16 1 1 A 69 69 VAL N N 69 119.500 115.923 3.577 1
1 779 . 16 1 1 A 70 70 ALA H H 70 9.290 8.323 0.967 1
1 780 . 16 1 1 A 70 70 ALA HA H 70 3.820 3.964 -0.144 1
1 784 . 16 1 1 A 70 70 ALA CA C 70 54.400 55.634 -1.234 1
1 785 . 16 1 1 A 70 70 ALA CB C 70 18.000 17.793 0.207 1
1 786 . 16 1 1 A 70 70 ALA N N 70 122.500 124.401 -1.901 1
1 787 . 16 1 1 A 71 71 ARG H H 71 8.280 7.932 0.348 1
1 788 . 16 1 1 A 71 71 ARG HA H 71 3.870 4.046 -0.176 1
1 796 . 16 1 1 A 71 71 ARG CA C 71 59.500 59.007 0.493 1
1 797 . 16 1 1 A 71 71 ARG CB C 71 30.000 30.077 -0.077 1
1 800 . 16 1 1 A 71 71 ARG N N 71 116.900 117.008 -0.108 1
1 802 . 16 1 1 A 72 72 GLU H H 72 7.390 7.675 -0.285 1
1 803 . 16 1 1 A 72 72 GLU HA H 72 4.300 4.209 0.091 1
1 808 . 16 1 1 A 72 72 GLU CA C 72 57.700 58.612 -0.912 1
1 809 . 16 1 1 A 72 72 GLU CB C 72 30.500 30.259 0.241 1
1 811 . 16 1 1 A 72 72 GLU N N 72 116.800 118.990 -2.190 1
1 812 . 16 1 1 A 73 73 GLU H H 73 8.490 8.148 0.342 1
1 813 . 16 1 1 A 73 73 GLU HA H 73 4.550 4.103 0.447 1
1 818 . 16 1 1 A 73 73 GLU CA C 73 55.900 59.181 -3.281 1
1 819 . 16 1 1 A 73 73 GLU CB C 73 30.800 29.587 1.213 1
1 821 . 16 1 1 A 73 73 GLU N N 73 115.000 119.182 -4.182 1
1 822 . 16 1 1 A 74 74 GLY H H 74 8.070 7.686 0.384 1
1 823 . 16 1 1 A 74 74 GLY HA2 H 74 4.450 3.884 0.566 1
1 824 . 16 1 1 A 74 74 GLY HA3 H 74 3.830 3.887 -0.057 1
1 825 . 16 1 1 A 74 74 GLY CA C 74 44.600 44.600 0.000 1
1 826 . 16 1 1 A 74 74 GLY N N 74 108.100 108.926 -0.826 1
1 827 . 16 1 1 A 75 75 THR H H 75 8.760 7.896 0.864 1
1 828 . 16 1 1 A 75 75 THR HA H 75 4.670 4.751 -0.081 1
1 833 . 16 1 1 A 75 75 THR CA C 75 59.000 60.585 -1.585 1
1 834 . 16 1 1 A 75 75 THR CB C 75 70.900 70.155 0.745 1
1 836 . 16 1 1 A 75 75 THR N N 75 111.400 115.582 -4.182 1
1 837 . 16 1 1 A 76 76 GLN H H 76 8.710 8.766 -0.056 1
1 838 . 16 1 1 A 76 76 GLN HA H 76 3.940 3.945 -0.005 1
1 845 . 16 1 1 A 76 76 GLN CA C 76 58.700 58.883 -0.183 1
1 846 . 16 1 1 A 76 76 GLN CB C 76 27.900 28.342 -0.442 1
1 848 . 16 1 1 A 76 76 GLN N N 76 123.100 125.481 -2.381 1
1 850 . 16 1 1 A 77 77 LYS H H 77 8.240 7.834 0.406 1
1 851 . 16 1 1 A 77 77 LYS HA H 77 4.000 4.020 -0.020 1
1 860 . 16 1 1 A 77 77 LYS CA C 77 59.200 59.649 -0.449 1
1 861 . 16 1 1 A 77 77 LYS CB C 77 31.900 32.190 -0.290 1
1 865 . 16 1 1 A 77 77 LYS N N 77 121.000 119.073 1.927 1
1 866 . 16 1 1 A 78 78 ASP H H 78 7.390 8.184 -0.794 1
1 867 . 16 1 1 A 78 78 ASP HA H 78 4.170 4.340 -0.170 1
1 870 . 16 1 1 A 78 78 ASP CA C 78 57.000 57.228 -0.228 1
1 871 . 16 1 1 A 78 78 ASP CB C 78 41.400 40.332 1.068 1
1 872 . 16 1 1 A 78 78 ASP N N 78 117.800 119.880 -2.080 1
1 873 . 16 1 1 A 79 79 LEU H H 79 7.690 7.861 -0.171 1
1 874 . 16 1 1 A 79 79 LEU HA H 79 3.770 4.075 -0.305 1
1 884 . 16 1 1 A 79 79 LEU CA C 79 58.100 58.022 0.078 1
1 885 . 16 1 1 A 79 79 LEU CB C 79 42.100 41.281 0.819 1
1 889 . 16 1 1 A 79 79 LEU N N 79 118.400 122.650 -4.250 1
1 890 . 16 1 1 A 80 80 SER H H 80 8.400 8.397 0.003 1
1 891 . 16 1 1 A 80 80 SER HA H 80 4.170 4.133 0.037 1
1 894 . 16 1 1 A 80 80 SER CA C 80 61.500 61.134 0.366 1
1 895 . 16 1 1 A 80 80 SER CB C 80 62.500 62.879 -0.379 1
1 896 . 16 1 1 A 80 80 SER N N 80 114.000 114.511 -0.511 1
1 897 . 16 1 1 A 81 81 GLU H H 81 7.930 7.661 0.269 1
1 898 . 16 1 1 A 81 81 GLU HA H 81 4.030 4.090 -0.060 1
1 903 . 16 1 1 A 81 81 GLU CA C 81 59.000 59.084 -0.084 1
1 904 . 16 1 1 A 81 81 GLU CB C 81 29.000 29.157 -0.157 1
1 906 . 16 1 1 A 81 81 GLU N N 81 121.000 122.414 -1.414 1
1 907 . 16 1 1 A 82 82 LEU H H 82 7.870 8.524 -0.654 1
1 908 . 16 1 1 A 82 82 LEU HA H 82 3.890 3.954 -0.064 1
1 918 . 16 1 1 A 82 82 LEU CA C 82 57.900 57.998 -0.098 1
1 919 . 16 1 1 A 82 82 LEU CB C 82 43.900 41.227 2.673 1
1 923 . 16 1 1 A 82 82 LEU N N 82 120.900 120.151 0.749 1
1 924 . 16 1 1 A 83 83 GLN H H 83 8.520 8.273 0.247 1
1 925 . 16 1 1 A 83 83 GLN HA H 83 3.900 4.080 -0.180 1
1 932 . 16 1 1 A 83 83 GLN CA C 83 59.200 59.225 -0.025 1
1 933 . 16 1 1 A 83 83 GLN CB C 83 28.300 27.810 0.490 1
1 935 . 16 1 1 A 83 83 GLN N N 83 118.300 118.087 0.213 1
1 937 . 16 1 1 A 84 84 ASP H H 84 8.140 8.345 -0.205 1
1 938 . 16 1 1 A 84 84 ASP HA H 84 4.340 4.332 0.008 1
1 941 . 16 1 1 A 84 84 ASP CA C 84 57.100 57.527 -0.427 1
1 942 . 16 1 1 A 84 84 ASP CB C 84 41.000 41.020 -0.020 1
1 943 . 16 1 1 A 84 84 ASP N N 84 119.700 119.409 0.291 1
1 944 . 16 1 1 A 85 85 ALA H H 85 7.740 8.370 -0.630 1
1 945 . 16 1 1 A 85 85 ALA HA H 85 3.810 3.910 -0.100 1
1 949 . 16 1 1 A 85 85 ALA CA C 85 54.600 55.211 -0.611 1
1 950 . 16 1 1 A 85 85 ALA CB C 85 16.200 17.901 -1.701 1
1 951 . 16 1 1 A 85 85 ALA N N 85 121.600 121.441 0.159 1
1 952 . 16 1 1 A 86 86 LYS H H 86 8.070 7.656 0.414 1
1 953 . 16 1 1 A 86 86 LYS HA H 86 3.810 4.097 -0.287 1
1 962 . 16 1 1 A 86 86 LYS CA C 86 60.600 59.012 1.588 1
1 963 . 16 1 1 A 86 86 LYS CB C 86 33.300 31.748 1.552 1
1 967 . 16 1 1 A 86 86 LYS N N 86 120.200 116.569 3.631 1
1 968 . 16 1 1 A 87 87 LEU H H 87 7.780 7.937 -0.157 1
1 969 . 16 1 1 A 87 87 LEU HA H 87 4.160 3.962 0.198 1
1 979 . 16 1 1 A 87 87 LEU CA C 87 57.500 58.183 -0.683 1
1 980 . 16 1 1 A 87 87 LEU CB C 87 41.900 41.781 0.119 1
1 984 . 16 1 1 A 87 87 LEU N N 87 118.400 121.054 -2.654 1
1 985 . 16 1 1 A 88 88 LYS H H 88 7.900 8.275 -0.375 1
1 986 . 16 1 1 A 88 88 LYS HA H 88 3.960 4.031 -0.071 1
1 995 . 16 1 1 A 88 88 LYS CA C 88 59.200 58.995 0.205 1
1 996 . 16 1 1 A 88 88 LYS CB C 88 32.000 31.797 0.203 1
1 1000 . 16 1 1 A 88 88 LYS N N 88 118.700 117.502 1.198 1
1 1001 . 16 1 1 A 89 89 ALA H H 89 8.000 8.045 -0.045 1
1 1002 . 16 1 1 A 89 89 ALA HA H 89 4.150 4.054 0.096 1
1 1006 . 16 1 1 A 89 89 ALA CA C 89 54.500 55.216 -0.716 1
1 1007 . 16 1 1 A 89 89 ALA CB C 89 17.800 18.430 -0.630 1
1 1008 . 16 1 1 A 89 89 ALA N N 89 122.400 122.080 0.320 1
1 1009 . 16 1 1 A 90 90 GLU H H 90 8.300 8.651 -0.351 1
1 1010 . 16 1 1 A 90 90 GLU HA H 90 3.930 4.062 -0.132 1
1 1015 . 16 1 1 A 90 90 GLU CA C 90 58.000 59.192 -1.192 1
1 1016 . 16 1 1 A 90 90 GLU CB C 90 29.700 29.420 0.280 1
1 1018 . 16 1 1 A 90 90 GLU N N 90 116.700 117.427 -0.727 1
1 1019 . 16 1 1 A 91 91 GLY H H 91 7.710 7.889 -0.179 1
1 1020 . 16 1 1 A 91 91 GLY HA2 H 91 4.070 3.830 0.240 1
1 1021 . 16 1 1 A 91 91 GLY HA3 H 91 3.870 3.923 -0.053 1
1 1022 . 16 1 1 A 91 91 GLY CA C 91 45.500 45.375 0.125 1
1 1023 . 16 1 1 A 91 91 GLY N N 91 106.000 108.771 -2.771 1
1 1024 . 16 1 1 A 92 92 LEU H H 92 7.640 7.292 0.348 1
1 1025 . 16 1 1 A 92 92 LEU HA H 92 4.270 3.946 0.324 1
1 1035 . 16 1 1 A 92 92 LEU CA C 92 55.200 57.151 -1.951 1
1 1036 . 16 1 1 A 92 92 LEU CB C 92 42.100 42.313 -0.213 1
1 1040 . 16 1 1 A 92 92 LEU N N 92 121.200 120.312 0.888 1
1 1041 . 16 1 1 A 93 93 GLU H H 93 8.290 7.430 0.860 1
1 1042 . 16 1 1 A 93 93 GLU HA H 93 4.130 4.427 -0.297 1
1 1047 . 16 1 1 A 93 93 GLU CA C 93 56.700 55.036 1.664 1
1 1048 . 16 1 1 A 93 93 GLU CB C 93 29.700 31.838 -2.138 1
1 1050 . 16 1 1 A 93 93 GLU N N 93 120.200 112.729 7.471 1
1 1051 . 16 1 1 A 94 94 HIS H H 94 8.260 8.607 -0.347 1
1 1052 . 16 1 1 A 94 94 HIS HA H 94 4.560 5.104 -0.544 1
1 1055 . 16 1 1 A 94 94 HIS CA C 94 55.400 54.350 1.050 1
1 1056 . 16 1 1 A 94 94 HIS CB C 94 29.700 30.580 -0.880 1
1 1057 . 16 1 1 A 94 94 HIS N N 94 118.900 118.293 0.607 1
1 1058 . 16 1 1 A 95 95 HIS H H 95 8.170 8.745 -0.575 1
1 1059 . 16 1 1 A 95 95 HIS HA H 95 4.410 4.877 -0.467 1
1 1062 . 16 1 1 A 95 95 HIS CA C 95 57.000 55.688 1.312 1
1 1063 . 16 1 1 A 95 95 HIS CB C 95 30.000 31.040 -1.040 1
1 9 . 17 1 1 A 2 2 ASP H H 2 8.560 8.808 -0.248 1
1 10 . 17 1 1 A 2 2 ASP HA H 2 4.850 5.144 -0.294 1
1 13 . 17 1 1 A 2 2 ASP CA C 2 52.200 51.012 1.188 1
1 14 . 17 1 1 A 2 2 ASP CB C 2 40.900 41.509 -0.609 1
1 15 . 17 1 1 A 2 2 ASP N N 2 123.000 120.983 2.017 1
1 16 . 17 1 1 A 3 3 PRO HA H 3 4.380 4.271 0.109 1
1 23 . 17 1 1 A 3 3 PRO CA C 3 63.500 64.489 -0.989 1
1 24 . 17 1 1 A 3 3 PRO CB C 3 32.100 31.944 0.156 1
1 27 . 17 1 1 A 4 4 GLU H H 4 8.410 8.452 -0.042 1
1 28 . 17 1 1 A 4 4 GLU HA H 4 4.250 4.125 0.125 1
1 33 . 17 1 1 A 4 4 GLU CA C 4 55.900 57.798 -1.898 1
1 34 . 17 1 1 A 4 4 GLU CB C 4 30.100 29.992 0.108 1
1 36 . 17 1 1 A 4 4 GLU N N 4 118.300 117.232 1.068 1
1 37 . 17 1 1 A 5 5 ASP H H 5 8.030 7.513 0.517 1
1 38 . 17 1 1 A 5 5 ASP HA H 5 4.730 4.728 0.002 1
1 41 . 17 1 1 A 5 5 ASP CA C 5 52.600 52.650 -0.050 1
1 42 . 17 1 1 A 5 5 ASP CB C 5 41.700 40.515 1.185 1
1 43 . 17 1 1 A 5 5 ASP N N 5 123.700 120.475 3.225 1
1 44 . 17 1 1 A 6 6 PRO HA H 6 3.940 4.336 -0.396 1
1 51 . 17 1 1 A 6 6 PRO CA C 6 64.900 65.244 -0.344 1
1 52 . 17 1 1 A 6 6 PRO CB C 6 31.000 31.570 -0.570 1
1 55 . 17 1 1 A 7 7 PHE H H 7 8.130 7.632 0.498 1
1 56 . 17 1 1 A 7 7 PHE HA H 7 4.220 4.064 0.156 1
1 64 . 17 1 1 A 7 7 PHE CA C 7 60.800 61.640 -0.840 1
1 65 . 17 1 1 A 7 7 PHE CB C 7 38.300 39.545 -1.245 1
1 69 . 17 1 1 A 7 7 PHE N N 7 117.200 118.849 -1.649 1
1 70 . 17 1 1 A 8 8 THR H H 8 7.830 8.342 -0.512 1
1 71 . 17 1 1 A 8 8 THR HA H 8 3.710 3.906 -0.196 1
1 76 . 17 1 1 A 8 8 THR CA C 8 66.200 66.919 -0.719 1
1 77 . 17 1 1 A 8 8 THR CB C 8 68.300 68.768 -0.468 1
1 79 . 17 1 1 A 8 8 THR N N 8 115.700 115.051 0.649 1
1 80 . 17 1 1 A 9 9 ARG H H 9 7.300 8.325 -1.025 1
1 81 . 17 1 1 A 9 9 ARG HA H 9 3.840 4.032 -0.192 1
1 89 . 17 1 1 A 9 9 ARG CA C 9 59.700 58.638 1.062 1
1 90 . 17 1 1 A 9 9 ARG CB C 9 30.400 29.995 0.405 1
1 93 . 17 1 1 A 9 9 ARG N N 9 121.400 120.237 1.163 1
1 95 . 17 1 1 A 10 10 TYR H H 10 8.480 8.265 0.215 1
1 96 . 17 1 1 A 10 10 TYR HA H 10 3.800 4.027 -0.227 1
1 103 . 17 1 1 A 10 10 TYR CA C 10 61.400 61.718 -0.318 1
1 104 . 17 1 1 A 10 10 TYR CB C 10 38.300 38.591 -0.291 1
1 107 . 17 1 1 A 10 10 TYR N N 10 121.700 121.611 0.089 1
1 108 . 17 1 1 A 11 11 ALA H H 11 8.500 8.317 0.183 1
1 109 . 17 1 1 A 11 11 ALA HA H 11 3.700 3.723 -0.023 1
1 113 . 17 1 1 A 11 11 ALA CA C 11 54.400 54.973 -0.573 1
1 114 . 17 1 1 A 11 11 ALA CB C 11 17.300 17.604 -0.304 1
1 115 . 17 1 1 A 11 11 ALA N N 11 121.700 121.419 0.281 1
1 116 . 17 1 1 A 12 12 LEU H H 12 7.690 7.923 -0.233 1
1 117 . 17 1 1 A 12 12 LEU HA H 12 3.920 3.841 0.079 1
1 127 . 17 1 1 A 12 12 LEU CA C 12 57.100 57.707 -0.607 1
1 128 . 17 1 1 A 12 12 LEU CB C 12 41.500 40.801 0.699 1
1 132 . 17 1 1 A 12 12 LEU N N 12 120.900 118.450 2.450 1
1 133 . 17 1 1 A 13 13 ALA H H 13 8.010 7.886 0.124 1
1 134 . 17 1 1 A 13 13 ALA HA H 13 3.500 3.896 -0.396 1
1 138 . 17 1 1 A 13 13 ALA CA C 13 55.400 55.036 0.364 1
1 139 . 17 1 1 A 13 13 ALA CB C 13 17.400 18.078 -0.678 1
1 140 . 17 1 1 A 13 13 ALA N N 13 123.000 121.974 1.026 1
1 141 . 17 1 1 A 14 14 GLN H H 14 7.660 7.678 -0.018 1
1 142 . 17 1 1 A 14 14 GLN HA H 14 3.910 3.911 -0.001 1
1 149 . 17 1 1 A 14 14 GLN CA C 14 58.200 58.821 -0.621 1
1 150 . 17 1 1 A 14 14 GLN CB C 14 27.700 28.403 -0.703 1
1 152 . 17 1 1 A 14 14 GLN N N 14 114.000 117.191 -3.191 1
1 154 . 17 1 1 A 15 15 GLU H H 15 7.900 7.704 0.196 1
1 155 . 17 1 1 A 15 15 GLU HA H 15 3.900 3.953 -0.053 1
1 160 . 17 1 1 A 15 15 GLU CA C 15 58.800 59.389 -0.589 1
1 161 . 17 1 1 A 15 15 GLU CB C 15 28.600 29.481 -0.881 1
1 163 . 17 1 1 A 15 15 GLU N N 15 122.400 120.961 1.439 1
1 164 . 17 1 1 A 16 16 HIS H H 16 8.220 7.715 0.505 1
1 165 . 17 1 1 A 16 16 HIS HA H 16 4.520 4.467 0.053 1
1 170 . 17 1 1 A 16 16 HIS CA C 16 59.700 59.530 0.170 1
1 171 . 17 1 1 A 16 16 HIS CB C 16 29.600 29.696 -0.096 1
1 174 . 17 1 1 A 16 16 HIS N N 16 119.100 119.027 0.073 1
1 175 . 17 1 1 A 17 17 LEU H H 17 8.090 8.156 -0.066 1
1 176 . 17 1 1 A 17 17 LEU HA H 17 3.870 3.875 -0.005 1
1 186 . 17 1 1 A 17 17 LEU CA C 17 57.900 57.866 0.034 1
1 187 . 17 1 1 A 17 17 LEU CB C 17 41.400 41.099 0.301 1
1 191 . 17 1 1 A 17 17 LEU N N 17 120.500 119.285 1.215 1
1 192 . 17 1 1 A 18 18 LYS H H 18 7.960 7.596 0.364 1
1 193 . 17 1 1 A 18 18 LYS HA H 18 4.030 4.018 0.012 1
1 202 . 17 1 1 A 18 18 LYS CA C 18 58.400 58.331 0.069 1
1 203 . 17 1 1 A 18 18 LYS CB C 18 31.800 32.346 -0.546 1
1 207 . 17 1 1 A 18 18 LYS N N 18 121.000 116.948 4.052 1
1 208 . 17 1 1 A 19 19 HIS H H 19 7.410 7.400 0.010 1
1 209 . 17 1 1 A 19 19 HIS HA H 19 4.720 4.724 -0.004 1
1 213 . 17 1 1 A 19 19 HIS CA C 19 54.700 54.766 -0.066 1
1 214 . 17 1 1 A 19 19 HIS CB C 19 28.500 29.106 -0.606 1
1 216 . 17 1 1 A 19 19 HIS N N 19 115.800 116.091 -0.291 1
1 217 . 17 1 1 A 20 20 ASP H H 20 8.010 8.220 -0.210 1
1 218 . 17 1 1 A 20 20 ASP HA H 20 4.370 4.272 0.098 1
1 221 . 17 1 1 A 20 20 ASP CA C 20 55.600 55.585 0.015 1
1 222 . 17 1 1 A 20 20 ASP CB C 20 39.600 40.588 -0.988 1
1 223 . 17 1 1 A 20 20 ASP N N 20 115.900 117.433 -1.533 1
1 224 . 17 1 1 A 21 21 ASN H H 21 8.450 8.211 0.239 1
1 225 . 17 1 1 A 21 21 ASN HA H 21 5.130 5.087 0.043 1
1 230 . 17 1 1 A 21 21 ASN CA C 21 50.600 52.601 -2.001 1
1 231 . 17 1 1 A 21 21 ASN CB C 21 37.000 37.473 -0.473 1
1 232 . 17 1 1 A 21 21 ASN N N 21 118.700 116.804 1.896 1
1 234 . 17 1 1 A 22 22 ALA H H 22 8.010 7.960 0.050 1
1 235 . 17 1 1 A 22 22 ALA HA H 22 3.840 3.990 -0.150 1
1 239 . 17 1 1 A 22 22 ALA CA C 22 55.300 55.439 -0.139 1
1 240 . 17 1 1 A 22 22 ALA CB C 22 18.300 18.561 -0.261 1
1 241 . 17 1 1 A 22 22 ALA N N 22 123.300 123.649 -0.349 1
1 242 . 17 1 1 A 23 23 SER H H 23 8.670 7.942 0.728 1
1 243 . 17 1 1 A 23 23 SER HA H 23 4.070 4.129 -0.059 1
1 246 . 17 1 1 A 23 23 SER CA C 23 61.800 61.106 0.694 1
1 247 . 17 1 1 A 23 23 SER CB C 23 61.900 63.154 -1.254 1
1 248 . 17 1 1 A 23 23 SER N N 23 112.500 113.089 -0.589 1
1 249 . 17 1 1 A 24 24 ARG H H 24 7.230 7.696 -0.466 1
1 250 . 17 1 1 A 24 24 ARG HA H 24 3.960 3.908 0.052 1
1 257 . 17 1 1 A 24 24 ARG CA C 24 57.000 59.321 -2.321 1
1 258 . 17 1 1 A 24 24 ARG CB C 24 29.100 29.831 -0.731 1
1 261 . 17 1 1 A 24 24 ARG N N 24 122.300 121.928 0.372 1
1 262 . 17 1 1 A 25 25 ALA H H 25 7.340 8.237 -0.897 1
1 263 . 17 1 1 A 25 25 ALA HA H 25 3.570 3.921 -0.351 1
1 267 . 17 1 1 A 25 25 ALA CA C 25 55.300 54.909 0.391 1
1 268 . 17 1 1 A 25 25 ALA CB C 25 18.700 18.019 0.681 1
1 269 . 17 1 1 A 25 25 ALA N N 25 120.200 121.864 -1.664 1
1 270 . 17 1 1 A 26 26 LEU H H 26 8.420 8.212 0.208 1
1 271 . 17 1 1 A 26 26 LEU HA H 26 3.800 4.243 -0.443 1
1 281 . 17 1 1 A 26 26 LEU CA C 26 58.300 58.062 0.238 1
1 282 . 17 1 1 A 26 26 LEU CB C 26 41.800 41.478 0.322 1
1 286 . 17 1 1 A 26 26 LEU N N 26 116.500 120.278 -3.778 1
1 287 . 17 1 1 A 27 27 ALA H H 27 7.190 8.019 -0.829 1
1 288 . 17 1 1 A 27 27 ALA HA H 27 4.120 4.055 0.065 1
1 292 . 17 1 1 A 27 27 ALA CA C 27 54.700 55.184 -0.484 1
1 293 . 17 1 1 A 27 27 ALA CB C 27 18.000 18.294 -0.294 1
1 294 . 17 1 1 A 27 27 ALA N N 27 118.200 120.601 -2.401 1
1 295 . 17 1 1 A 28 28 LEU H H 28 7.500 7.869 -0.369 1
1 296 . 17 1 1 A 28 28 LEU HA H 28 4.070 3.929 0.141 1
1 306 . 17 1 1 A 28 28 LEU CA C 28 57.600 57.861 -0.261 1
1 307 . 17 1 1 A 28 28 LEU CB C 28 43.100 41.951 1.149 1
1 311 . 17 1 1 A 28 28 LEU N N 28 118.300 119.739 -1.439 1
1 312 . 17 1 1 A 29 29 PHE H H 29 8.690 8.197 0.493 1
1 313 . 17 1 1 A 29 29 PHE HA H 29 4.630 4.304 0.326 1
1 321 . 17 1 1 A 29 29 PHE CA C 29 58.700 60.613 -1.913 1
1 322 . 17 1 1 A 29 29 PHE CB C 29 40.300 38.564 1.736 1
1 326 . 17 1 1 A 29 29 PHE N N 29 119.000 118.455 0.545 1
1 327 . 17 1 1 A 30 30 GLU H H 30 8.990 8.344 0.646 1
1 328 . 17 1 1 A 30 30 GLU HA H 30 3.790 3.885 -0.095 1
1 333 . 17 1 1 A 30 30 GLU CA C 30 60.100 60.090 0.010 1
1 334 . 17 1 1 A 30 30 GLU CB C 30 29.100 29.153 -0.053 1
1 336 . 17 1 1 A 30 30 GLU N N 30 117.400 119.274 -1.874 1
1 337 . 17 1 1 A 31 31 GLU H H 31 7.830 8.396 -0.566 1
1 338 . 17 1 1 A 31 31 GLU HA H 31 4.160 4.263 -0.103 1
1 343 . 17 1 1 A 31 31 GLU CA C 31 58.800 59.151 -0.351 1
1 344 . 17 1 1 A 31 31 GLU CB C 31 29.900 29.177 0.723 1
1 346 . 17 1 1 A 31 31 GLU N N 31 119.500 120.067 -0.567 1
1 347 . 17 1 1 A 32 32 LEU H H 32 7.920 8.165 -0.245 1
1 348 . 17 1 1 A 32 32 LEU HA H 32 4.130 4.071 0.059 1
1 358 . 17 1 1 A 32 32 LEU CA C 32 58.200 58.074 0.126 1
1 359 . 17 1 1 A 32 32 LEU CB C 32 43.000 42.334 0.666 1
1 363 . 17 1 1 A 32 32 LEU N N 32 122.000 120.754 1.246 1
1 364 . 17 1 1 A 33 33 VAL H H 33 7.460 8.104 -0.644 1
1 365 . 17 1 1 A 33 33 VAL HA H 33 3.590 3.463 0.127 1
1 373 . 17 1 1 A 33 33 VAL CA C 33 65.800 66.834 -1.034 1
1 374 . 17 1 1 A 33 33 VAL CB C 33 31.500 31.209 0.291 1
1 377 . 17 1 1 A 33 33 VAL N N 33 116.000 117.744 -1.744 1
1 378 . 17 1 1 A 34 34 GLU H H 34 7.210 8.580 -1.370 1
1 379 . 17 1 1 A 34 34 GLU HA H 34 4.130 4.096 0.034 1
1 384 . 17 1 1 A 34 34 GLU CA C 34 58.500 59.144 -0.644 1
1 385 . 17 1 1 A 34 34 GLU CB C 34 29.900 28.821 1.079 1
1 387 . 17 1 1 A 34 34 GLU N N 34 117.400 119.453 -2.053 1
1 388 . 17 1 1 A 35 35 THR H H 35 9.100 7.252 1.848 1
1 389 . 17 1 1 A 35 35 THR HA H 35 4.180 4.287 -0.107 1
1 394 . 17 1 1 A 35 35 THR CA C 35 63.900 63.246 0.654 1
1 395 . 17 1 1 A 35 35 THR CB C 35 69.300 69.282 0.018 1
1 397 . 17 1 1 A 35 35 THR N N 35 109.900 111.002 -1.102 1
1 398 . 17 1 1 A 36 36 ASP H H 36 8.630 8.201 0.429 1
1 399 . 17 1 1 A 36 36 ASP HA H 36 5.300 4.961 0.339 1
1 402 . 17 1 1 A 36 36 ASP CA C 36 52.700 51.604 1.096 1
1 403 . 17 1 1 A 36 36 ASP CB C 36 42.400 41.739 0.661 1
1 404 . 17 1 1 A 36 36 ASP N N 36 122.800 120.172 2.628 1
1 405 . 17 1 1 A 37 37 PRO HA H 37 4.560 4.803 -0.243 1
1 412 . 17 1 1 A 37 37 PRO CA C 37 64.400 64.160 0.240 1
1 413 . 17 1 1 A 37 37 PRO CB C 37 31.100 32.543 -1.443 1
1 416 . 17 1 1 A 38 38 ASP H H 38 8.630 8.107 0.523 1
1 417 . 17 1 1 A 38 38 ASP HA H 38 4.570 4.862 -0.292 1
1 420 . 17 1 1 A 38 38 ASP CA C 38 53.800 55.112 -1.312 1
1 421 . 17 1 1 A 38 38 ASP CB C 38 39.500 42.739 -3.239 1
1 422 . 17 1 1 A 38 38 ASP N N 38 113.700 119.035 -5.335 1
1 423 . 17 1 1 A 39 39 TYR H H 39 8.110 7.908 0.202 1
1 424 . 17 1 1 A 39 39 TYR HA H 39 4.540 4.578 -0.038 1
1 431 . 17 1 1 A 39 39 TYR CA C 39 58.500 57.164 1.336 1
1 432 . 17 1 1 A 39 39 TYR CB C 39 36.500 38.313 -1.813 1
1 435 . 17 1 1 A 39 39 TYR N N 39 123.700 121.975 1.725 1
1 436 . 17 1 1 A 40 40 VAL H H 40 7.880 7.957 -0.077 1
1 437 . 17 1 1 A 40 40 VAL HA H 40 3.770 3.870 -0.100 1
1 445 . 17 1 1 A 40 40 VAL CA C 40 65.000 66.400 -1.400 1
1 446 . 17 1 1 A 40 40 VAL CB C 40 32.500 31.489 1.011 1
1 449 . 17 1 1 A 40 40 VAL N N 40 128.100 125.957 2.143 1
1 450 . 17 1 1 A 41 41 GLY H H 41 7.530 7.832 -0.302 1
1 451 . 17 1 1 A 41 41 GLY HA2 H 41 3.410 3.249 0.161 1
1 452 . 17 1 1 A 41 41 GLY HA3 H 41 3.880 3.786 0.094 1
1 453 . 17 1 1 A 41 41 GLY CA C 41 46.400 47.029 -0.629 1
1 454 . 17 1 1 A 41 41 GLY N N 41 105.900 108.029 -2.129 1
1 455 . 17 1 1 A 42 42 THR H H 42 7.150 7.133 0.017 1
1 456 . 17 1 1 A 42 42 THR HA H 42 3.580 4.181 -0.601 1
1 462 . 17 1 1 A 42 42 THR CA C 42 65.600 66.885 -1.285 1
1 463 . 17 1 1 A 42 42 THR CB C 42 68.900 68.463 0.437 1
1 465 . 17 1 1 A 42 42 THR N N 42 111.900 118.214 -6.314 1
1 466 . 17 1 1 A 43 43 TYR H H 43 7.040 8.377 -1.337 1
1 467 . 17 1 1 A 43 43 TYR HA H 43 3.460 4.245 -0.785 1
1 474 . 17 1 1 A 43 43 TYR CA C 43 64.100 60.436 3.664 1
1 475 . 17 1 1 A 43 43 TYR CB C 43 38.300 38.132 0.168 1
1 478 . 17 1 1 A 43 43 TYR N N 43 113.500 120.700 -7.200 1
1 479 . 17 1 1 A 44 44 TYR H H 44 9.770 8.096 1.674 1
1 480 . 17 1 1 A 44 44 TYR HA H 44 3.990 4.405 -0.415 1
1 487 . 17 1 1 A 44 44 TYR CA C 44 61.900 62.136 -0.236 1
1 488 . 17 1 1 A 44 44 TYR CB C 44 38.800 38.508 0.292 1
1 491 . 17 1 1 A 44 44 TYR N N 44 119.800 120.653 -0.853 1
1 492 . 17 1 1 A 45 45 HIS H H 45 6.380 8.074 -1.694 1
1 493 . 17 1 1 A 45 45 HIS HA H 45 3.770 4.224 -0.454 1
1 498 . 17 1 1 A 45 45 HIS CA C 45 58.500 59.376 -0.876 1
1 499 . 17 1 1 A 45 45 HIS CB C 45 31.600 30.924 0.676 1
1 502 . 17 1 1 A 45 45 HIS N N 45 114.500 117.108 -2.608 1
1 503 . 17 1 1 A 46 46 LEU H H 46 8.360 8.371 -0.011 1
1 504 . 17 1 1 A 46 46 LEU HA H 46 3.660 3.266 0.394 1
1 514 . 17 1 1 A 46 46 LEU CA C 46 57.100 57.505 -0.405 1
1 515 . 17 1 1 A 46 46 LEU CB C 46 40.800 41.381 -0.581 1
1 519 . 17 1 1 A 46 46 LEU N N 46 121.100 120.429 0.671 1
1 520 . 17 1 1 A 47 47 GLY H H 47 8.440 8.276 0.164 1
1 521 . 17 1 1 A 47 47 GLY HA2 H 47 3.350 3.038 0.312 1
1 522 . 17 1 1 A 47 47 GLY HA3 H 47 3.530 3.712 -0.182 1
1 523 . 17 1 1 A 47 47 GLY CA C 47 47.200 46.844 0.356 1
1 524 . 17 1 1 A 47 47 GLY N N 47 106.500 106.856 -0.356 1
1 525 . 17 1 1 A 48 48 LYS H H 48 7.970 7.333 0.637 1
1 526 . 17 1 1 A 48 48 LYS HA H 48 3.800 3.967 -0.167 1
1 535 . 17 1 1 A 48 48 LYS CA C 48 58.200 59.375 -1.175 1
1 536 . 17 1 1 A 48 48 LYS CB C 48 31.600 32.110 -0.510 1
1 540 . 17 1 1 A 48 48 LYS N N 48 120.500 121.784 -1.284 1
1 541 . 17 1 1 A 49 49 LEU H H 49 7.800 7.381 0.419 1
1 542 . 17 1 1 A 49 49 LEU HA H 49 4.170 3.881 0.289 1
1 552 . 17 1 1 A 49 49 LEU CA C 49 57.500 57.425 0.075 1
1 553 . 17 1 1 A 49 49 LEU CB C 49 41.000 41.568 -0.568 1
1 557 . 17 1 1 A 49 49 LEU N N 49 124.000 120.905 3.095 1
1 558 . 17 1 1 A 50 50 TYR H H 50 8.610 7.818 0.792 1
1 559 . 17 1 1 A 50 50 TYR HA H 50 4.420 4.305 0.115 1
1 566 . 17 1 1 A 50 50 TYR CA C 50 59.600 60.808 -1.208 1
1 567 . 17 1 1 A 50 50 TYR CB C 50 35.600 37.791 -2.191 1
1 570 . 17 1 1 A 50 50 TYR N N 50 119.000 118.693 0.307 1
1 571 . 17 1 1 A 51 51 GLU H H 51 8.410 8.315 0.095 1
1 572 . 17 1 1 A 51 51 GLU HA H 51 3.760 3.903 -0.143 1
1 577 . 17 1 1 A 51 51 GLU CA C 51 61.600 60.007 1.593 1
1 578 . 17 1 1 A 51 51 GLU CB C 51 29.800 29.311 0.489 1
1 580 . 17 1 1 A 51 51 GLU N N 51 118.600 118.997 -0.397 1
1 581 . 17 1 1 A 52 52 ARG H H 52 7.910 7.911 -0.001 1
1 582 . 17 1 1 A 52 52 ARG HA H 52 4.150 4.097 0.053 1
1 589 . 17 1 1 A 52 52 ARG CA C 52 58.600 58.583 0.017 1
1 590 . 17 1 1 A 52 52 ARG CB C 52 29.600 30.044 -0.444 1
1 593 . 17 1 1 A 52 52 ARG N N 52 122.200 120.404 1.796 1
1 594 . 17 1 1 A 53 53 LEU H H 53 7.740 7.604 0.136 1
1 595 . 17 1 1 A 53 53 LEU HA H 53 4.400 4.357 0.043 1
1 605 . 17 1 1 A 53 53 LEU CA C 53 54.100 54.786 -0.686 1
1 606 . 17 1 1 A 53 53 LEU CB C 53 41.400 41.930 -0.530 1
1 610 . 17 1 1 A 53 53 LEU N N 53 119.400 118.023 1.377 1
1 611 . 17 1 1 A 54 54 ASP H H 54 8.090 8.005 0.085 1
1 612 . 17 1 1 A 54 54 ASP HA H 54 4.410 4.269 0.141 1
1 615 . 17 1 1 A 54 54 ASP CA C 54 55.500 55.587 -0.087 1
1 616 . 17 1 1 A 54 54 ASP CB C 54 38.900 40.664 -1.764 1
1 617 . 17 1 1 A 54 54 ASP N N 54 116.300 118.274 -1.974 1
1 618 . 17 1 1 A 55 55 ARG H H 55 8.420 8.401 0.019 1
1 619 . 17 1 1 A 55 55 ARG HA H 55 4.680 4.635 0.045 1
1 627 . 17 1 1 A 55 55 ARG CA C 55 54.000 54.676 -0.676 1
1 628 . 17 1 1 A 55 55 ARG CB C 55 29.800 28.325 1.475 1
1 631 . 17 1 1 A 55 55 ARG N N 55 120.800 119.948 0.852 1
1 633 . 17 1 1 A 56 56 THR H H 56 7.870 7.647 0.223 1
1 634 . 17 1 1 A 56 56 THR HA H 56 3.510 3.774 -0.264 1
1 639 . 17 1 1 A 56 56 THR CA C 56 67.500 67.464 0.036 1
1 640 . 17 1 1 A 56 56 THR CB C 56 68.000 68.702 -0.702 1
1 642 . 17 1 1 A 56 56 THR N N 56 117.300 115.803 1.497 1
1 643 . 17 1 1 A 57 57 ASP H H 57 8.450 8.361 0.089 1
1 644 . 17 1 1 A 57 57 ASP HA H 57 4.260 4.191 0.069 1
1 647 . 17 1 1 A 57 57 ASP CA C 57 57.900 57.947 -0.047 1
1 648 . 17 1 1 A 57 57 ASP CB C 57 39.100 41.849 -2.749 1
1 649 . 17 1 1 A 57 57 ASP N N 57 120.300 121.507 -1.207 1
1 650 . 17 1 1 A 58 58 ASP H H 58 7.540 8.093 -0.553 1
1 651 . 17 1 1 A 58 58 ASP HA H 58 4.170 4.173 -0.003 1
1 654 . 17 1 1 A 58 58 ASP CA C 58 56.900 56.912 -0.012 1
1 655 . 17 1 1 A 58 58 ASP CB C 58 38.400 39.919 -1.519 1
1 656 . 17 1 1 A 58 58 ASP N N 58 120.200 119.220 0.980 1
1 657 . 17 1 1 A 59 59 ALA H H 59 8.110 7.836 0.274 1
1 658 . 17 1 1 A 59 59 ALA HA H 59 3.760 3.923 -0.163 1
1 662 . 17 1 1 A 59 59 ALA CA C 59 56.000 55.023 0.977 1
1 663 . 17 1 1 A 59 59 ALA CB C 59 19.200 18.524 0.676 1
1 664 . 17 1 1 A 59 59 ALA N N 59 124.700 121.875 2.825 1
1 665 . 17 1 1 A 60 60 ILE H H 60 8.230 8.184 0.046 1
1 666 . 17 1 1 A 60 60 ILE HA H 60 3.520 3.914 -0.394 1
1 676 . 17 1 1 A 60 60 ILE CA C 60 66.800 64.938 1.862 1
1 677 . 17 1 1 A 60 60 ILE CB C 60 38.400 37.753 0.647 1
1 681 . 17 1 1 A 60 60 ILE N N 60 117.600 118.175 -0.575 1
1 682 . 17 1 1 A 61 61 ASP H H 61 7.750 7.935 -0.185 1
1 683 . 17 1 1 A 61 61 ASP HA H 61 4.440 4.272 0.168 1
1 686 . 17 1 1 A 61 61 ASP CA C 61 57.100 57.261 -0.161 1
1 687 . 17 1 1 A 61 61 ASP CB C 61 40.500 40.991 -0.491 1
1 688 . 17 1 1 A 61 61 ASP N N 61 118.300 120.481 -2.181 1
1 689 . 17 1 1 A 62 62 THR H H 62 8.040 7.864 0.176 1
1 690 . 17 1 1 A 62 62 THR HA H 62 4.070 3.967 0.103 1
1 695 . 17 1 1 A 62 62 THR CA C 62 68.000 66.639 1.361 1
1 696 . 17 1 1 A 62 62 THR CB C 62 68.600 68.369 0.231 1
1 698 . 17 1 1 A 62 62 THR N N 62 119.800 116.017 3.783 1
1 699 . 17 1 1 A 63 63 TYR H H 63 8.970 8.072 0.898 1
1 700 . 17 1 1 A 63 63 TYR HA H 63 4.480 4.419 0.061 1
1 707 . 17 1 1 A 63 63 TYR CA C 63 59.200 60.767 -1.567 1
1 708 . 17 1 1 A 63 63 TYR CB C 63 37.700 37.380 0.320 1
1 711 . 17 1 1 A 63 63 TYR N N 63 121.700 120.846 0.854 1
1 712 . 17 1 1 A 64 64 ALA H H 64 8.690 8.173 0.517 1
1 713 . 17 1 1 A 64 64 ALA HA H 64 4.000 3.969 0.031 1
1 717 . 17 1 1 A 64 64 ALA CA C 64 55.500 55.373 0.127 1
1 718 . 17 1 1 A 64 64 ALA CB C 64 17.800 17.938 -0.138 1
1 719 . 17 1 1 A 64 64 ALA N N 64 119.400 122.388 -2.988 1
1 720 . 17 1 1 A 65 65 GLN H H 65 8.100 8.138 -0.038 1
1 721 . 17 1 1 A 65 65 GLN HA H 65 4.010 3.977 0.033 1
1 728 . 17 1 1 A 65 65 GLN CA C 65 58.600 58.707 -0.107 1
1 729 . 17 1 1 A 65 65 GLN CB C 65 28.500 28.078 0.422 1
1 731 . 17 1 1 A 65 65 GLN N N 65 119.600 117.710 1.890 1
1 733 . 17 1 1 A 66 66 GLY H H 66 8.430 7.909 0.521 1
1 734 . 17 1 1 A 66 66 GLY HA2 H 66 3.080 2.957 0.123 1
1 735 . 17 1 1 A 66 66 GLY HA3 H 66 2.520 3.445 -0.925 1
1 736 . 17 1 1 A 66 66 GLY CA C 66 46.800 46.942 -0.142 1
1 737 . 17 1 1 A 66 66 GLY N N 66 108.200 108.647 -0.447 1
1 738 . 17 1 1 A 67 67 ILE H H 67 8.570 8.353 0.217 1
1 739 . 17 1 1 A 67 67 ILE HA H 67 3.320 3.800 -0.480 1
1 749 . 17 1 1 A 67 67 ILE CA C 67 65.900 64.146 1.754 1
1 750 . 17 1 1 A 67 67 ILE CB C 67 38.400 37.220 1.180 1
1 754 . 17 1 1 A 67 67 ILE N N 67 123.500 122.434 1.066 1
1 755 . 17 1 1 A 68 68 GLU H H 68 7.030 7.922 -0.892 1
1 756 . 17 1 1 A 68 68 GLU HA H 68 3.960 4.011 -0.051 1
1 761 . 17 1 1 A 68 68 GLU CA C 68 58.700 59.260 -0.560 1
1 762 . 17 1 1 A 68 68 GLU CB C 68 28.500 29.213 -0.713 1
1 764 . 17 1 1 A 68 68 GLU N N 68 116.500 119.378 -2.878 1
1 765 . 17 1 1 A 69 69 VAL H H 69 7.440 7.367 0.073 1
1 766 . 17 1 1 A 69 69 VAL HA H 69 3.740 3.888 -0.148 1
1 774 . 17 1 1 A 69 69 VAL CA C 69 65.700 64.583 1.117 1
1 775 . 17 1 1 A 69 69 VAL CB C 69 32.000 31.183 0.817 1
1 778 . 17 1 1 A 69 69 VAL N N 69 119.500 115.972 3.528 1
1 779 . 17 1 1 A 70 70 ALA H H 70 9.290 8.271 1.019 1
1 780 . 17 1 1 A 70 70 ALA HA H 70 3.820 4.026 -0.206 1
1 784 . 17 1 1 A 70 70 ALA CA C 70 54.400 55.354 -0.954 1
1 785 . 17 1 1 A 70 70 ALA CB C 70 18.000 17.925 0.075 1
1 786 . 17 1 1 A 70 70 ALA N N 70 122.500 124.128 -1.628 1
1 787 . 17 1 1 A 71 71 ARG H H 71 8.280 7.974 0.306 1
1 788 . 17 1 1 A 71 71 ARG HA H 71 3.870 4.079 -0.209 1
1 796 . 17 1 1 A 71 71 ARG CA C 71 59.500 59.033 0.467 1
1 797 . 17 1 1 A 71 71 ARG CB C 71 30.000 29.996 0.004 1
1 800 . 17 1 1 A 71 71 ARG N N 71 116.900 116.909 -0.009 1
1 802 . 17 1 1 A 72 72 GLU H H 72 7.390 7.999 -0.609 1
1 803 . 17 1 1 A 72 72 GLU HA H 72 4.300 4.172 0.128 1
1 808 . 17 1 1 A 72 72 GLU CA C 72 57.700 58.976 -1.276 1
1 809 . 17 1 1 A 72 72 GLU CB C 72 30.500 30.097 0.403 1
1 811 . 17 1 1 A 72 72 GLU N N 72 116.800 119.465 -2.665 1
1 812 . 17 1 1 A 73 73 GLU H H 73 8.490 8.155 0.335 1
1 813 . 17 1 1 A 73 73 GLU HA H 73 4.550 4.302 0.248 1
1 818 . 17 1 1 A 73 73 GLU CA C 73 55.900 57.876 -1.976 1
1 819 . 17 1 1 A 73 73 GLU CB C 73 30.800 30.019 0.781 1
1 821 . 17 1 1 A 73 73 GLU N N 73 115.000 117.589 -2.589 1
1 822 . 17 1 1 A 74 74 GLY H H 74 8.070 7.905 0.165 1
1 823 . 17 1 1 A 74 74 GLY HA2 H 74 4.450 3.987 0.463 1
1 824 . 17 1 1 A 74 74 GLY HA3 H 74 3.830 3.995 -0.165 1
1 825 . 17 1 1 A 74 74 GLY CA C 74 44.600 44.676 -0.076 1
1 826 . 17 1 1 A 74 74 GLY N N 74 108.100 108.437 -0.337 1
1 827 . 17 1 1 A 75 75 THR H H 75 8.760 7.871 0.889 1
1 828 . 17 1 1 A 75 75 THR HA H 75 4.670 4.680 -0.010 1
1 833 . 17 1 1 A 75 75 THR CA C 75 59.000 60.595 -1.595 1
1 834 . 17 1 1 A 75 75 THR CB C 75 70.900 69.801 1.099 1
1 836 . 17 1 1 A 75 75 THR N N 75 111.400 115.171 -3.771 1
1 837 . 17 1 1 A 76 76 GLN H H 76 8.710 8.788 -0.078 1
1 838 . 17 1 1 A 76 76 GLN HA H 76 3.940 3.981 -0.041 1
1 845 . 17 1 1 A 76 76 GLN CA C 76 58.700 59.320 -0.620 1
1 846 . 17 1 1 A 76 76 GLN CB C 76 27.900 28.438 -0.538 1
1 848 . 17 1 1 A 76 76 GLN N N 76 123.100 125.318 -2.218 1
1 850 . 17 1 1 A 77 77 LYS H H 77 8.240 8.025 0.215 1
1 851 . 17 1 1 A 77 77 LYS HA H 77 4.000 3.997 0.003 1
1 860 . 17 1 1 A 77 77 LYS CA C 77 59.200 59.538 -0.338 1
1 861 . 17 1 1 A 77 77 LYS CB C 77 31.900 32.251 -0.351 1
1 865 . 17 1 1 A 77 77 LYS N N 77 121.000 118.933 2.067 1
1 866 . 17 1 1 A 78 78 ASP H H 78 7.390 7.969 -0.579 1
1 867 . 17 1 1 A 78 78 ASP HA H 78 4.170 4.371 -0.201 1
1 870 . 17 1 1 A 78 78 ASP CA C 78 57.000 56.718 0.282 1
1 871 . 17 1 1 A 78 78 ASP CB C 78 41.400 40.751 0.649 1
1 872 . 17 1 1 A 78 78 ASP N N 78 117.800 119.567 -1.767 1
1 873 . 17 1 1 A 79 79 LEU H H 79 7.690 8.121 -0.431 1
1 874 . 17 1 1 A 79 79 LEU HA H 79 3.770 4.067 -0.297 1
1 884 . 17 1 1 A 79 79 LEU CA C 79 58.100 58.233 -0.133 1
1 885 . 17 1 1 A 79 79 LEU CB C 79 42.100 41.413 0.687 1
1 889 . 17 1 1 A 79 79 LEU N N 79 118.400 122.601 -4.201 1
1 890 . 17 1 1 A 80 80 SER H H 80 8.400 8.179 0.221 1
1 891 . 17 1 1 A 80 80 SER HA H 80 4.170 4.102 0.068 1
1 894 . 17 1 1 A 80 80 SER CA C 80 61.500 61.248 0.252 1
1 895 . 17 1 1 A 80 80 SER CB C 80 62.500 63.092 -0.592 1
1 896 . 17 1 1 A 80 80 SER N N 80 114.000 114.656 -0.656 1
1 897 . 17 1 1 A 81 81 GLU H H 81 7.930 7.352 0.578 1
1 898 . 17 1 1 A 81 81 GLU HA H 81 4.030 4.078 -0.048 1
1 903 . 17 1 1 A 81 81 GLU CA C 81 59.000 59.225 -0.225 1
1 904 . 17 1 1 A 81 81 GLU CB C 81 29.000 29.195 -0.195 1
1 906 . 17 1 1 A 81 81 GLU N N 81 121.000 121.700 -0.700 1
1 907 . 17 1 1 A 82 82 LEU H H 82 7.870 7.985 -0.115 1
1 908 . 17 1 1 A 82 82 LEU HA H 82 3.890 4.084 -0.194 1
1 918 . 17 1 1 A 82 82 LEU CA C 82 57.900 57.453 0.447 1
1 919 . 17 1 1 A 82 82 LEU CB C 82 43.900 41.236 2.664 1
1 923 . 17 1 1 A 82 82 LEU N N 82 120.900 120.173 0.727 1
1 924 . 17 1 1 A 83 83 GLN H H 83 8.520 8.583 -0.063 1
1 925 . 17 1 1 A 83 83 GLN HA H 83 3.900 3.892 0.008 1
1 932 . 17 1 1 A 83 83 GLN CA C 83 59.200 58.960 0.240 1
1 933 . 17 1 1 A 83 83 GLN CB C 83 28.300 28.090 0.210 1
1 935 . 17 1 1 A 83 83 GLN N N 83 118.300 118.636 -0.336 1
1 937 . 17 1 1 A 84 84 ASP H H 84 8.140 8.438 -0.298 1
1 938 . 17 1 1 A 84 84 ASP HA H 84 4.340 4.305 0.035 1
1 941 . 17 1 1 A 84 84 ASP CA C 84 57.100 57.306 -0.206 1
1 942 . 17 1 1 A 84 84 ASP CB C 84 41.000 40.855 0.145 1
1 943 . 17 1 1 A 84 84 ASP N N 84 119.700 119.974 -0.274 1
1 944 . 17 1 1 A 85 85 ALA H H 85 7.740 8.342 -0.602 1
1 945 . 17 1 1 A 85 85 ALA HA H 85 3.810 3.899 -0.089 1
1 949 . 17 1 1 A 85 85 ALA CA C 85 54.600 55.163 -0.563 1
1 950 . 17 1 1 A 85 85 ALA CB C 85 16.200 18.007 -1.807 1
1 951 . 17 1 1 A 85 85 ALA N N 85 121.600 121.543 0.057 1
1 952 . 17 1 1 A 86 86 LYS H H 86 8.070 7.649 0.421 1
1 953 . 17 1 1 A 86 86 LYS HA H 86 3.810 3.921 -0.111 1
1 962 . 17 1 1 A 86 86 LYS CA C 86 60.600 58.833 1.767 1
1 963 . 17 1 1 A 86 86 LYS CB C 86 33.300 31.779 1.521 1
1 967 . 17 1 1 A 86 86 LYS N N 86 120.200 116.460 3.740 1
1 968 . 17 1 1 A 87 87 LEU H H 87 7.780 7.636 0.144 1
1 969 . 17 1 1 A 87 87 LEU HA H 87 4.160 4.227 -0.067 1
1 979 . 17 1 1 A 87 87 LEU CA C 87 57.500 57.597 -0.097 1
1 980 . 17 1 1 A 87 87 LEU CB C 87 41.900 41.775 0.125 1
1 984 . 17 1 1 A 87 87 LEU N N 87 118.400 121.330 -2.930 1
1 985 . 17 1 1 A 88 88 LYS H H 88 7.900 8.684 -0.784 1
1 986 . 17 1 1 A 88 88 LYS HA H 88 3.960 4.034 -0.074 1
1 995 . 17 1 1 A 88 88 LYS CA C 88 59.200 58.805 0.395 1
1 996 . 17 1 1 A 88 88 LYS CB C 88 32.000 31.359 0.641 1
1 1000 . 17 1 1 A 88 88 LYS N N 88 118.700 117.407 1.293 1
1 1001 . 17 1 1 A 89 89 ALA H H 89 8.000 7.566 0.434 1
1 1002 . 17 1 1 A 89 89 ALA HA H 89 4.150 4.071 0.079 1
1 1006 . 17 1 1 A 89 89 ALA CA C 89 54.500 55.179 -0.679 1
1 1007 . 17 1 1 A 89 89 ALA CB C 89 17.800 18.306 -0.506 1
1 1008 . 17 1 1 A 89 89 ALA N N 89 122.400 122.202 0.198 1
1 1009 . 17 1 1 A 90 90 GLU H H 90 8.300 8.453 -0.153 1
1 1010 . 17 1 1 A 90 90 GLU HA H 90 3.930 4.022 -0.092 1
1 1015 . 17 1 1 A 90 90 GLU CA C 90 58.000 59.223 -1.223 1
1 1016 . 17 1 1 A 90 90 GLU CB C 90 29.700 29.278 0.422 1
1 1018 . 17 1 1 A 90 90 GLU N N 90 116.700 117.933 -1.233 1
1 1019 . 17 1 1 A 91 91 GLY H H 91 7.710 7.916 -0.206 1
1 1020 . 17 1 1 A 91 91 GLY HA2 H 91 4.070 3.876 0.194 1
1 1021 . 17 1 1 A 91 91 GLY HA3 H 91 3.870 3.912 -0.042 1
1 1022 . 17 1 1 A 91 91 GLY CA C 91 45.500 45.447 0.053 1
1 1023 . 17 1 1 A 91 91 GLY N N 91 106.000 109.234 -3.234 1
1 1024 . 17 1 1 A 92 92 LEU H H 92 7.640 7.579 0.061 1
1 1025 . 17 1 1 A 92 92 LEU HA H 92 4.270 4.173 0.097 1
1 1035 . 17 1 1 A 92 92 LEU CA C 92 55.200 57.486 -2.286 1
1 1036 . 17 1 1 A 92 92 LEU CB C 92 42.100 42.923 -0.823 1
1 1040 . 17 1 1 A 92 92 LEU N N 92 121.200 120.264 0.936 1
1 1041 . 17 1 1 A 93 93 GLU H H 93 8.290 7.784 0.506 1
1 1042 . 17 1 1 A 93 93 GLU HA H 93 4.130 4.755 -0.625 1
1 1047 . 17 1 1 A 93 93 GLU CA C 93 56.700 55.242 1.458 1
1 1048 . 17 1 1 A 93 93 GLU CB C 93 29.700 31.782 -2.082 1
1 1050 . 17 1 1 A 93 93 GLU N N 93 120.200 115.220 4.980 1
1 1051 . 17 1 1 A 94 94 HIS H H 94 8.260 8.969 -0.709 1
1 1052 . 17 1 1 A 94 94 HIS HA H 94 4.560 4.660 -0.100 1
1 1055 . 17 1 1 A 94 94 HIS CA C 94 55.400 54.875 0.525 1
1 1056 . 17 1 1 A 94 94 HIS CB C 94 29.700 27.647 2.053 1
1 1057 . 17 1 1 A 94 94 HIS N N 94 118.900 121.534 -2.634 1
1 1058 . 17 1 1 A 95 95 HIS H H 95 8.170 8.594 -0.424 1
1 1059 . 17 1 1 A 95 95 HIS HA H 95 4.410 4.426 -0.016 1
1 1062 . 17 1 1 A 95 95 HIS CA C 95 57.000 55.648 1.352 1
1 1063 . 17 1 1 A 95 95 HIS CB C 95 30.000 29.580 0.420 1
1 9 . 18 1 1 A 2 2 ASP H H 2 8.560 7.782 0.778 1
1 10 . 18 1 1 A 2 2 ASP HA H 2 4.850 5.029 -0.179 1
1 13 . 18 1 1 A 2 2 ASP CA C 2 52.200 51.256 0.944 1
1 14 . 18 1 1 A 2 2 ASP CB C 2 40.900 41.192 -0.292 1
1 15 . 18 1 1 A 2 2 ASP N N 2 123.000 119.671 3.329 1
1 16 . 18 1 1 A 3 3 PRO HA H 3 4.380 4.246 0.134 1
1 23 . 18 1 1 A 3 3 PRO CA C 3 63.500 64.573 -1.073 1
1 24 . 18 1 1 A 3 3 PRO CB C 3 32.100 31.872 0.228 1
1 27 . 18 1 1 A 4 4 GLU H H 4 8.410 8.433 -0.023 1
1 28 . 18 1 1 A 4 4 GLU HA H 4 4.250 4.266 -0.016 1
1 33 . 18 1 1 A 4 4 GLU CA C 4 55.900 57.089 -1.189 1
1 34 . 18 1 1 A 4 4 GLU CB C 4 30.100 29.950 0.150 1
1 36 . 18 1 1 A 4 4 GLU N N 4 118.300 116.875 1.425 1
1 37 . 18 1 1 A 5 5 ASP H H 5 8.030 7.713 0.317 1
1 38 . 18 1 1 A 5 5 ASP HA H 5 4.730 4.757 -0.027 1
1 41 . 18 1 1 A 5 5 ASP CA C 5 52.600 52.257 0.343 1
1 42 . 18 1 1 A 5 5 ASP CB C 5 41.700 40.711 0.989 1
1 43 . 18 1 1 A 5 5 ASP N N 5 123.700 121.246 2.454 1
1 44 . 18 1 1 A 6 6 PRO HA H 6 3.940 4.160 -0.220 1
1 51 . 18 1 1 A 6 6 PRO CA C 6 64.900 64.840 0.060 1
1 52 . 18 1 1 A 6 6 PRO CB C 6 31.000 31.510 -0.510 1
1 55 . 18 1 1 A 7 7 PHE H H 7 8.130 7.711 0.419 1
1 56 . 18 1 1 A 7 7 PHE HA H 7 4.220 4.184 0.036 1
1 64 . 18 1 1 A 7 7 PHE CA C 7 60.800 61.531 -0.731 1
1 65 . 18 1 1 A 7 7 PHE CB C 7 38.300 39.250 -0.950 1
1 69 . 18 1 1 A 7 7 PHE N N 7 117.200 118.611 -1.411 1
1 70 . 18 1 1 A 8 8 THR H H 8 7.830 8.305 -0.475 1
1 71 . 18 1 1 A 8 8 THR HA H 8 3.710 3.874 -0.164 1
1 76 . 18 1 1 A 8 8 THR CA C 8 66.200 66.951 -0.751 1
1 77 . 18 1 1 A 8 8 THR CB C 8 68.300 68.674 -0.374 1
1 79 . 18 1 1 A 8 8 THR N N 8 115.700 115.694 0.006 1
1 80 . 18 1 1 A 9 9 ARG H H 9 7.300 8.355 -1.055 1
1 81 . 18 1 1 A 9 9 ARG HA H 9 3.840 3.982 -0.142 1
1 89 . 18 1 1 A 9 9 ARG CA C 9 59.700 58.722 0.978 1
1 90 . 18 1 1 A 9 9 ARG CB C 9 30.400 30.122 0.278 1
1 93 . 18 1 1 A 9 9 ARG N N 9 121.400 119.970 1.430 1
1 95 . 18 1 1 A 10 10 TYR H H 10 8.480 7.988 0.492 1
1 96 . 18 1 1 A 10 10 TYR HA H 10 3.800 4.086 -0.286 1
1 103 . 18 1 1 A 10 10 TYR CA C 10 61.400 61.937 -0.537 1
1 104 . 18 1 1 A 10 10 TYR CB C 10 38.300 38.550 -0.250 1
1 107 . 18 1 1 A 10 10 TYR N N 10 121.700 121.541 0.159 1
1 108 . 18 1 1 A 11 11 ALA H H 11 8.500 8.229 0.271 1
1 109 . 18 1 1 A 11 11 ALA HA H 11 3.700 3.692 0.008 1
1 113 . 18 1 1 A 11 11 ALA CA C 11 54.400 55.189 -0.789 1
1 114 . 18 1 1 A 11 11 ALA CB C 11 17.300 17.588 -0.288 1
1 115 . 18 1 1 A 11 11 ALA N N 11 121.700 121.537 0.163 1
1 116 . 18 1 1 A 12 12 LEU H H 12 7.690 8.127 -0.437 1
1 117 . 18 1 1 A 12 12 LEU HA H 12 3.920 3.865 0.055 1
1 127 . 18 1 1 A 12 12 LEU CA C 12 57.100 57.937 -0.837 1
1 128 . 18 1 1 A 12 12 LEU CB C 12 41.500 41.210 0.290 1
1 132 . 18 1 1 A 12 12 LEU N N 12 120.900 118.654 2.246 1
1 133 . 18 1 1 A 13 13 ALA H H 13 8.010 8.212 -0.202 1
1 134 . 18 1 1 A 13 13 ALA HA H 13 3.500 3.928 -0.428 1
1 138 . 18 1 1 A 13 13 ALA CA C 13 55.400 55.360 0.040 1
1 139 . 18 1 1 A 13 13 ALA CB C 13 17.400 17.938 -0.538 1
1 140 . 18 1 1 A 13 13 ALA N N 13 123.000 121.810 1.190 1
1 141 . 18 1 1 A 14 14 GLN H H 14 7.660 7.839 -0.179 1
1 142 . 18 1 1 A 14 14 GLN HA H 14 3.910 3.935 -0.025 1
1 149 . 18 1 1 A 14 14 GLN CA C 14 58.200 58.780 -0.580 1
1 150 . 18 1 1 A 14 14 GLN CB C 14 27.700 28.407 -0.707 1
1 152 . 18 1 1 A 14 14 GLN N N 14 114.000 117.082 -3.082 1
1 154 . 18 1 1 A 15 15 GLU H H 15 7.900 8.104 -0.204 1
1 155 . 18 1 1 A 15 15 GLU HA H 15 3.900 3.951 -0.051 1
1 160 . 18 1 1 A 15 15 GLU CA C 15 58.800 59.308 -0.508 1
1 161 . 18 1 1 A 15 15 GLU CB C 15 28.600 29.592 -0.992 1
1 163 . 18 1 1 A 15 15 GLU N N 15 122.400 120.905 1.495 1
1 164 . 18 1 1 A 16 16 HIS H H 16 8.220 8.057 0.163 1
1 165 . 18 1 1 A 16 16 HIS HA H 16 4.520 4.463 0.057 1
1 170 . 18 1 1 A 16 16 HIS CA C 16 59.700 59.048 0.652 1
1 171 . 18 1 1 A 16 16 HIS CB C 16 29.600 29.848 -0.248 1
1 174 . 18 1 1 A 16 16 HIS N N 16 119.100 119.065 0.035 1
1 175 . 18 1 1 A 17 17 LEU H H 17 8.090 8.217 -0.127 1
1 176 . 18 1 1 A 17 17 LEU HA H 17 3.870 3.841 0.029 1
1 186 . 18 1 1 A 17 17 LEU CA C 17 57.900 58.054 -0.154 1
1 187 . 18 1 1 A 17 17 LEU CB C 17 41.400 41.687 -0.287 1
1 191 . 18 1 1 A 17 17 LEU N N 17 120.500 119.971 0.529 1
1 192 . 18 1 1 A 18 18 LYS H H 18 7.960 7.910 0.050 1
1 193 . 18 1 1 A 18 18 LYS HA H 18 4.030 4.019 0.011 1
1 202 . 18 1 1 A 18 18 LYS CA C 18 58.400 58.581 -0.181 1
1 203 . 18 1 1 A 18 18 LYS CB C 18 31.800 31.823 -0.023 1
1 207 . 18 1 1 A 18 18 LYS N N 18 121.000 117.409 3.591 1
1 208 . 18 1 1 A 19 19 HIS H H 19 7.410 7.626 -0.216 1
1 209 . 18 1 1 A 19 19 HIS HA H 19 4.720 4.642 0.078 1
1 213 . 18 1 1 A 19 19 HIS CA C 19 54.700 55.700 -1.000 1
1 214 . 18 1 1 A 19 19 HIS CB C 19 28.500 29.748 -1.248 1
1 216 . 18 1 1 A 19 19 HIS N N 19 115.800 115.557 0.243 1
1 217 . 18 1 1 A 20 20 ASP H H 20 8.010 7.920 0.090 1
1 218 . 18 1 1 A 20 20 ASP HA H 20 4.370 4.265 0.105 1
1 221 . 18 1 1 A 20 20 ASP CA C 20 55.600 55.692 -0.092 1
1 222 . 18 1 1 A 20 20 ASP CB C 20 39.600 40.572 -0.972 1
1 223 . 18 1 1 A 20 20 ASP N N 20 115.900 117.751 -1.851 1
1 224 . 18 1 1 A 21 21 ASN H H 21 8.450 8.089 0.361 1
1 225 . 18 1 1 A 21 21 ASN HA H 21 5.130 5.001 0.129 1
1 230 . 18 1 1 A 21 21 ASN CA C 21 50.600 52.041 -1.441 1
1 231 . 18 1 1 A 21 21 ASN CB C 21 37.000 36.530 0.470 1
1 232 . 18 1 1 A 21 21 ASN N N 21 118.700 118.362 0.338 1
1 234 . 18 1 1 A 22 22 ALA H H 22 8.010 8.436 -0.426 1
1 235 . 18 1 1 A 22 22 ALA HA H 22 3.840 4.059 -0.219 1
1 239 . 18 1 1 A 22 22 ALA CA C 22 55.300 55.172 0.128 1
1 240 . 18 1 1 A 22 22 ALA CB C 22 18.300 18.304 -0.004 1
1 241 . 18 1 1 A 22 22 ALA N N 22 123.300 126.235 -2.935 1
1 242 . 18 1 1 A 23 23 SER H H 23 8.670 8.108 0.562 1
1 243 . 18 1 1 A 23 23 SER HA H 23 4.070 4.145 -0.075 1
1 246 . 18 1 1 A 23 23 SER CA C 23 61.800 61.530 0.270 1
1 247 . 18 1 1 A 23 23 SER CB C 23 61.900 62.827 -0.927 1
1 248 . 18 1 1 A 23 23 SER N N 23 112.500 113.633 -1.133 1
1 249 . 18 1 1 A 24 24 ARG H H 24 7.230 7.877 -0.647 1
1 250 . 18 1 1 A 24 24 ARG HA H 24 3.960 3.896 0.064 1
1 257 . 18 1 1 A 24 24 ARG CA C 24 57.000 59.950 -2.950 1
1 258 . 18 1 1 A 24 24 ARG CB C 24 29.100 30.081 -0.981 1
1 261 . 18 1 1 A 24 24 ARG N N 24 122.300 121.629 0.671 1
1 262 . 18 1 1 A 25 25 ALA H H 25 7.340 7.788 -0.448 1
1 263 . 18 1 1 A 25 25 ALA HA H 25 3.570 3.913 -0.343 1
1 267 . 18 1 1 A 25 25 ALA CA C 25 55.300 54.972 0.328 1
1 268 . 18 1 1 A 25 25 ALA CB C 25 18.700 18.162 0.538 1
1 269 . 18 1 1 A 25 25 ALA N N 25 120.200 121.752 -1.552 1
1 270 . 18 1 1 A 26 26 LEU H H 26 8.420 8.321 0.099 1
1 271 . 18 1 1 A 26 26 LEU HA H 26 3.800 4.234 -0.434 1
1 281 . 18 1 1 A 26 26 LEU CA C 26 58.300 57.929 0.371 1
1 282 . 18 1 1 A 26 26 LEU CB C 26 41.800 41.416 0.384 1
1 286 . 18 1 1 A 26 26 LEU N N 26 116.500 120.284 -3.784 1
1 287 . 18 1 1 A 27 27 ALA H H 27 7.190 8.349 -1.159 1
1 288 . 18 1 1 A 27 27 ALA HA H 27 4.120 4.016 0.104 1
1 292 . 18 1 1 A 27 27 ALA CA C 27 54.700 55.145 -0.445 1
1 293 . 18 1 1 A 27 27 ALA CB C 27 18.000 18.006 -0.006 1
1 294 . 18 1 1 A 27 27 ALA N N 27 118.200 120.679 -2.479 1
1 295 . 18 1 1 A 28 28 LEU H H 28 7.500 7.715 -0.215 1
1 296 . 18 1 1 A 28 28 LEU HA H 28 4.070 3.863 0.207 1
1 306 . 18 1 1 A 28 28 LEU CA C 28 57.600 57.606 -0.006 1
1 307 . 18 1 1 A 28 28 LEU CB C 28 43.100 42.131 0.969 1
1 311 . 18 1 1 A 28 28 LEU N N 28 118.300 118.720 -0.420 1
1 312 . 18 1 1 A 29 29 PHE H H 29 8.690 8.253 0.437 1
1 313 . 18 1 1 A 29 29 PHE HA H 29 4.630 4.342 0.288 1
1 321 . 18 1 1 A 29 29 PHE CA C 29 58.700 60.735 -2.035 1
1 322 . 18 1 1 A 29 29 PHE CB C 29 40.300 38.455 1.845 1
1 326 . 18 1 1 A 29 29 PHE N N 29 119.000 117.665 1.335 1
1 327 . 18 1 1 A 30 30 GLU H H 30 8.990 8.587 0.403 1
1 328 . 18 1 1 A 30 30 GLU HA H 30 3.790 3.929 -0.139 1
1 333 . 18 1 1 A 30 30 GLU CA C 30 60.100 60.096 0.004 1
1 334 . 18 1 1 A 30 30 GLU CB C 30 29.100 29.227 -0.127 1
1 336 . 18 1 1 A 30 30 GLU N N 30 117.400 118.493 -1.093 1
1 337 . 18 1 1 A 31 31 GLU H H 31 7.830 8.216 -0.386 1
1 338 . 18 1 1 A 31 31 GLU HA H 31 4.160 4.240 -0.080 1
1 343 . 18 1 1 A 31 31 GLU CA C 31 58.800 59.013 -0.213 1
1 344 . 18 1 1 A 31 31 GLU CB C 31 29.900 29.515 0.385 1
1 346 . 18 1 1 A 31 31 GLU N N 31 119.500 119.686 -0.186 1
1 347 . 18 1 1 A 32 32 LEU H H 32 7.920 8.404 -0.484 1
1 348 . 18 1 1 A 32 32 LEU HA H 32 4.130 4.155 -0.025 1
1 358 . 18 1 1 A 32 32 LEU CA C 32 58.200 58.127 0.073 1
1 359 . 18 1 1 A 32 32 LEU CB C 32 43.000 41.561 1.439 1
1 363 . 18 1 1 A 32 32 LEU N N 32 122.000 120.219 1.781 1
1 364 . 18 1 1 A 33 33 VAL H H 33 7.460 7.925 -0.465 1
1 365 . 18 1 1 A 33 33 VAL HA H 33 3.590 3.422 0.168 1
1 373 . 18 1 1 A 33 33 VAL CA C 33 65.800 66.930 -1.130 1
1 374 . 18 1 1 A 33 33 VAL CB C 33 31.500 31.363 0.137 1
1 377 . 18 1 1 A 33 33 VAL N N 33 116.000 119.974 -3.974 1
1 378 . 18 1 1 A 34 34 GLU H H 34 7.210 8.177 -0.967 1
1 379 . 18 1 1 A 34 34 GLU HA H 34 4.130 4.140 -0.010 1
1 384 . 18 1 1 A 34 34 GLU CA C 34 58.500 58.920 -0.420 1
1 385 . 18 1 1 A 34 34 GLU CB C 34 29.900 29.094 0.806 1
1 387 . 18 1 1 A 34 34 GLU N N 34 117.400 119.490 -2.090 1
1 388 . 18 1 1 A 35 35 THR H H 35 9.100 7.732 1.368 1
1 389 . 18 1 1 A 35 35 THR HA H 35 4.180 4.397 -0.217 1
1 394 . 18 1 1 A 35 35 THR CA C 35 63.900 63.143 0.757 1
1 395 . 18 1 1 A 35 35 THR CB C 35 69.300 69.484 -0.184 1
1 397 . 18 1 1 A 35 35 THR N N 35 109.900 110.905 -1.005 1
1 398 . 18 1 1 A 36 36 ASP H H 36 8.630 8.083 0.547 1
1 399 . 18 1 1 A 36 36 ASP HA H 36 5.300 5.134 0.166 1
1 402 . 18 1 1 A 36 36 ASP CA C 36 52.700 51.514 1.186 1
1 403 . 18 1 1 A 36 36 ASP CB C 36 42.400 41.588 0.812 1
1 404 . 18 1 1 A 36 36 ASP N N 36 122.800 120.688 2.112 1
1 405 . 18 1 1 A 37 37 PRO HA H 37 4.560 4.686 -0.126 1
1 412 . 18 1 1 A 37 37 PRO CA C 37 64.400 64.517 -0.117 1
1 413 . 18 1 1 A 37 37 PRO CB C 37 31.100 32.127 -1.027 1
1 416 . 18 1 1 A 38 38 ASP H H 38 8.630 9.103 -0.473 1
1 417 . 18 1 1 A 38 38 ASP HA H 38 4.570 4.482 0.088 1
1 420 . 18 1 1 A 38 38 ASP CA C 38 53.800 56.203 -2.403 1
1 421 . 18 1 1 A 38 38 ASP CB C 38 39.500 40.291 -0.791 1
1 422 . 18 1 1 A 38 38 ASP N N 38 113.700 118.607 -4.907 1
1 423 . 18 1 1 A 39 39 TYR H H 39 8.110 7.700 0.410 1
1 424 . 18 1 1 A 39 39 TYR HA H 39 4.540 4.728 -0.188 1
1 431 . 18 1 1 A 39 39 TYR CA C 39 58.500 56.223 2.277 1
1 432 . 18 1 1 A 39 39 TYR CB C 39 36.500 37.722 -1.222 1
1 435 . 18 1 1 A 39 39 TYR N N 39 123.700 120.943 2.757 1
1 436 . 18 1 1 A 40 40 VAL H H 40 7.880 7.962 -0.082 1
1 437 . 18 1 1 A 40 40 VAL HA H 40 3.770 3.945 -0.175 1
1 445 . 18 1 1 A 40 40 VAL CA C 40 65.000 66.449 -1.449 1
1 446 . 18 1 1 A 40 40 VAL CB C 40 32.500 31.571 0.929 1
1 449 . 18 1 1 A 40 40 VAL N N 40 128.100 125.613 2.487 1
1 450 . 18 1 1 A 41 41 GLY H H 41 7.530 7.989 -0.459 1
1 451 . 18 1 1 A 41 41 GLY HA2 H 41 3.410 3.515 -0.105 1
1 452 . 18 1 1 A 41 41 GLY HA3 H 41 3.880 3.894 -0.014 1
1 453 . 18 1 1 A 41 41 GLY CA C 41 46.400 47.069 -0.669 1
1 454 . 18 1 1 A 41 41 GLY N N 41 105.900 108.182 -2.282 1
1 455 . 18 1 1 A 42 42 THR H H 42 7.150 7.599 -0.449 1
1 456 . 18 1 1 A 42 42 THR HA H 42 3.580 4.443 -0.863 1
1 462 . 18 1 1 A 42 42 THR CA C 42 65.600 67.336 -1.736 1
1 463 . 18 1 1 A 42 42 THR CB C 42 68.900 68.639 0.261 1
1 465 . 18 1 1 A 42 42 THR N N 42 111.900 118.341 -6.441 1
1 466 . 18 1 1 A 43 43 TYR H H 43 7.040 8.351 -1.311 1
1 467 . 18 1 1 A 43 43 TYR HA H 43 3.460 4.306 -0.846 1
1 474 . 18 1 1 A 43 43 TYR CA C 43 64.100 60.480 3.620 1
1 475 . 18 1 1 A 43 43 TYR CB C 43 38.300 38.088 0.212 1
1 478 . 18 1 1 A 43 43 TYR N N 43 113.500 120.823 -7.323 1
1 479 . 18 1 1 A 44 44 TYR H H 44 9.770 8.060 1.710 1
1 480 . 18 1 1 A 44 44 TYR HA H 44 3.990 4.518 -0.528 1
1 487 . 18 1 1 A 44 44 TYR CA C 44 61.900 62.123 -0.223 1
1 488 . 18 1 1 A 44 44 TYR CB C 44 38.800 38.773 0.027 1
1 491 . 18 1 1 A 44 44 TYR N N 44 119.800 120.676 -0.876 1
1 492 . 18 1 1 A 45 45 HIS H H 45 6.380 8.215 -1.835 1
1 493 . 18 1 1 A 45 45 HIS HA H 45 3.770 4.224 -0.454 1
1 498 . 18 1 1 A 45 45 HIS CA C 45 58.500 59.564 -1.064 1
1 499 . 18 1 1 A 45 45 HIS CB C 45 31.600 30.116 1.484 1
1 502 . 18 1 1 A 45 45 HIS N N 45 114.500 117.273 -2.773 1
1 503 . 18 1 1 A 46 46 LEU H H 46 8.360 8.388 -0.028 1
1 504 . 18 1 1 A 46 46 LEU HA H 46 3.660 3.218 0.442 1
1 514 . 18 1 1 A 46 46 LEU CA C 46 57.100 57.540 -0.440 1
1 515 . 18 1 1 A 46 46 LEU CB C 46 40.800 41.696 -0.896 1
1 519 . 18 1 1 A 46 46 LEU N N 46 121.100 120.792 0.308 1
1 520 . 18 1 1 A 47 47 GLY H H 47 8.440 8.074 0.366 1
1 521 . 18 1 1 A 47 47 GLY HA2 H 47 3.350 3.062 0.288 1
1 522 . 18 1 1 A 47 47 GLY HA3 H 47 3.530 3.687 -0.157 1
1 523 . 18 1 1 A 47 47 GLY CA C 47 47.200 46.817 0.383 1
1 524 . 18 1 1 A 47 47 GLY N N 47 106.500 105.938 0.562 1
1 525 . 18 1 1 A 48 48 LYS H H 48 7.970 7.601 0.369 1
1 526 . 18 1 1 A 48 48 LYS HA H 48 3.800 3.929 -0.129 1
1 535 . 18 1 1 A 48 48 LYS CA C 48 58.200 59.339 -1.139 1
1 536 . 18 1 1 A 48 48 LYS CB C 48 31.600 32.151 -0.551 1
1 540 . 18 1 1 A 48 48 LYS N N 48 120.500 121.829 -1.329 1
1 541 . 18 1 1 A 49 49 LEU H H 49 7.800 7.526 0.274 1
1 542 . 18 1 1 A 49 49 LEU HA H 49 4.170 3.886 0.284 1
1 552 . 18 1 1 A 49 49 LEU CA C 49 57.500 57.372 0.128 1
1 553 . 18 1 1 A 49 49 LEU CB C 49 41.000 41.551 -0.551 1
1 557 . 18 1 1 A 49 49 LEU N N 49 124.000 120.880 3.120 1
1 558 . 18 1 1 A 50 50 TYR H H 50 8.610 7.859 0.751 1
1 559 . 18 1 1 A 50 50 TYR HA H 50 4.420 4.298 0.122 1
1 566 . 18 1 1 A 50 50 TYR CA C 50 59.600 60.744 -1.144 1
1 567 . 18 1 1 A 50 50 TYR CB C 50 35.600 37.904 -2.304 1
1 570 . 18 1 1 A 50 50 TYR N N 50 119.000 118.828 0.172 1
1 571 . 18 1 1 A 51 51 GLU H H 51 8.410 8.470 -0.060 1
1 572 . 18 1 1 A 51 51 GLU HA H 51 3.760 3.906 -0.146 1
1 577 . 18 1 1 A 51 51 GLU CA C 51 61.600 60.118 1.482 1
1 578 . 18 1 1 A 51 51 GLU CB C 51 29.800 29.331 0.469 1
1 580 . 18 1 1 A 51 51 GLU N N 51 118.600 118.842 -0.242 1
1 581 . 18 1 1 A 52 52 ARG H H 52 7.910 7.659 0.251 1
1 582 . 18 1 1 A 52 52 ARG HA H 52 4.150 4.107 0.043 1
1 589 . 18 1 1 A 52 52 ARG CA C 52 58.600 58.611 -0.011 1
1 590 . 18 1 1 A 52 52 ARG CB C 52 29.600 30.155 -0.555 1
1 593 . 18 1 1 A 52 52 ARG N N 52 122.200 120.128 2.072 1
1 594 . 18 1 1 A 53 53 LEU H H 53 7.740 7.507 0.233 1
1 595 . 18 1 1 A 53 53 LEU HA H 53 4.400 4.390 0.010 1
1 605 . 18 1 1 A 53 53 LEU CA C 53 54.100 54.585 -0.485 1
1 606 . 18 1 1 A 53 53 LEU CB C 53 41.400 41.954 -0.554 1
1 610 . 18 1 1 A 53 53 LEU N N 53 119.400 118.062 1.338 1
1 611 . 18 1 1 A 54 54 ASP H H 54 8.090 7.948 0.142 1
1 612 . 18 1 1 A 54 54 ASP HA H 54 4.410 4.280 0.130 1
1 615 . 18 1 1 A 54 54 ASP CA C 54 55.500 55.553 -0.053 1
1 616 . 18 1 1 A 54 54 ASP CB C 54 38.900 40.593 -1.693 1
1 617 . 18 1 1 A 54 54 ASP N N 54 116.300 118.285 -1.985 1
1 618 . 18 1 1 A 55 55 ARG H H 55 8.420 8.167 0.253 1
1 619 . 18 1 1 A 55 55 ARG HA H 55 4.680 4.566 0.114 1
1 627 . 18 1 1 A 55 55 ARG CA C 55 54.000 54.372 -0.372 1
1 628 . 18 1 1 A 55 55 ARG CB C 55 29.800 28.014 1.786 1
1 631 . 18 1 1 A 55 55 ARG N N 55 120.800 120.551 0.249 1
1 633 . 18 1 1 A 56 56 THR H H 56 7.870 8.000 -0.130 1
1 634 . 18 1 1 A 56 56 THR HA H 56 3.510 3.781 -0.271 1
1 639 . 18 1 1 A 56 56 THR CA C 56 67.500 67.360 0.140 1
1 640 . 18 1 1 A 56 56 THR CB C 56 68.000 68.782 -0.782 1
1 642 . 18 1 1 A 56 56 THR N N 56 117.300 116.661 0.639 1
1 643 . 18 1 1 A 57 57 ASP H H 57 8.450 8.417 0.033 1
1 644 . 18 1 1 A 57 57 ASP HA H 57 4.260 4.285 -0.025 1
1 647 . 18 1 1 A 57 57 ASP CA C 57 57.900 57.530 0.370 1
1 648 . 18 1 1 A 57 57 ASP CB C 57 39.100 40.081 -0.981 1
1 649 . 18 1 1 A 57 57 ASP N N 57 120.300 120.093 0.207 1
1 650 . 18 1 1 A 58 58 ASP H H 58 7.540 8.116 -0.576 1
1 651 . 18 1 1 A 58 58 ASP HA H 58 4.170 4.146 0.024 1
1 654 . 18 1 1 A 58 58 ASP CA C 58 56.900 56.881 0.019 1
1 655 . 18 1 1 A 58 58 ASP CB C 58 38.400 39.748 -1.348 1
1 656 . 18 1 1 A 58 58 ASP N N 58 120.200 119.570 0.630 1
1 657 . 18 1 1 A 59 59 ALA H H 59 8.110 7.740 0.370 1
1 658 . 18 1 1 A 59 59 ALA HA H 59 3.760 4.084 -0.324 1
1 662 . 18 1 1 A 59 59 ALA CA C 59 56.000 55.085 0.915 1
1 663 . 18 1 1 A 59 59 ALA CB C 59 19.200 18.730 0.470 1
1 664 . 18 1 1 A 59 59 ALA N N 59 124.700 121.923 2.777 1
1 665 . 18 1 1 A 60 60 ILE H H 60 8.230 7.994 0.236 1
1 666 . 18 1 1 A 60 60 ILE HA H 60 3.520 3.793 -0.273 1
1 676 . 18 1 1 A 60 60 ILE CA C 60 66.800 65.089 1.711 1
1 677 . 18 1 1 A 60 60 ILE CB C 60 38.400 37.889 0.511 1
1 681 . 18 1 1 A 60 60 ILE N N 60 117.600 117.827 -0.227 1
1 682 . 18 1 1 A 61 61 ASP H H 61 7.750 8.202 -0.452 1
1 683 . 18 1 1 A 61 61 ASP HA H 61 4.440 4.288 0.152 1
1 686 . 18 1 1 A 61 61 ASP CA C 61 57.100 57.452 -0.352 1
1 687 . 18 1 1 A 61 61 ASP CB C 61 40.500 41.280 -0.780 1
1 688 . 18 1 1 A 61 61 ASP N N 61 118.300 120.181 -1.881 1
1 689 . 18 1 1 A 62 62 THR H H 62 8.040 8.117 -0.077 1
1 690 . 18 1 1 A 62 62 THR HA H 62 4.070 4.091 -0.021 1
1 695 . 18 1 1 A 62 62 THR CA C 62 68.000 66.408 1.592 1
1 696 . 18 1 1 A 62 62 THR CB C 62 68.600 68.493 0.107 1
1 698 . 18 1 1 A 62 62 THR N N 62 119.800 115.788 4.012 1
1 699 . 18 1 1 A 63 63 TYR H H 63 8.970 8.036 0.934 1
1 700 . 18 1 1 A 63 63 TYR HA H 63 4.480 4.481 -0.001 1
1 707 . 18 1 1 A 63 63 TYR CA C 63 59.200 60.938 -1.738 1
1 708 . 18 1 1 A 63 63 TYR CB C 63 37.700 37.127 0.573 1
1 711 . 18 1 1 A 63 63 TYR N N 63 121.700 120.815 0.885 1
1 712 . 18 1 1 A 64 64 ALA H H 64 8.690 8.368 0.322 1
1 713 . 18 1 1 A 64 64 ALA HA H 64 4.000 4.089 -0.089 1
1 717 . 18 1 1 A 64 64 ALA CA C 64 55.500 55.360 0.140 1
1 718 . 18 1 1 A 64 64 ALA CB C 64 17.800 18.181 -0.381 1
1 719 . 18 1 1 A 64 64 ALA N N 64 119.400 122.460 -3.060 1
1 720 . 18 1 1 A 65 65 GLN H H 65 8.100 7.991 0.109 1
1 721 . 18 1 1 A 65 65 GLN HA H 65 4.010 3.996 0.014 1
1 728 . 18 1 1 A 65 65 GLN CA C 65 58.600 59.135 -0.535 1
1 729 . 18 1 1 A 65 65 GLN CB C 65 28.500 28.020 0.480 1
1 731 . 18 1 1 A 65 65 GLN N N 65 119.600 118.220 1.380 1
1 733 . 18 1 1 A 66 66 GLY H H 66 8.430 8.395 0.035 1
1 734 . 18 1 1 A 66 66 GLY HA2 H 66 3.080 2.944 0.136 1
1 735 . 18 1 1 A 66 66 GLY HA3 H 66 2.520 3.495 -0.975 1
1 736 . 18 1 1 A 66 66 GLY CA C 66 46.800 47.086 -0.286 1
1 737 . 18 1 1 A 66 66 GLY N N 66 108.200 106.706 1.494 1
1 738 . 18 1 1 A 67 67 ILE H H 67 8.570 8.287 0.283 1
1 739 . 18 1 1 A 67 67 ILE HA H 67 3.320 3.811 -0.491 1
1 749 . 18 1 1 A 67 67 ILE CA C 67 65.900 64.141 1.759 1
1 750 . 18 1 1 A 67 67 ILE CB C 67 38.400 37.503 0.897 1
1 754 . 18 1 1 A 67 67 ILE N N 67 123.500 122.352 1.148 1
1 755 . 18 1 1 A 68 68 GLU H H 68 7.030 8.068 -1.038 1
1 756 . 18 1 1 A 68 68 GLU HA H 68 3.960 4.046 -0.086 1
1 761 . 18 1 1 A 68 68 GLU CA C 68 58.700 59.311 -0.611 1
1 762 . 18 1 1 A 68 68 GLU CB C 68 28.500 29.280 -0.780 1
1 764 . 18 1 1 A 68 68 GLU N N 68 116.500 120.018 -3.518 1
1 765 . 18 1 1 A 69 69 VAL H H 69 7.440 7.357 0.083 1
1 766 . 18 1 1 A 69 69 VAL HA H 69 3.740 3.864 -0.124 1
1 774 . 18 1 1 A 69 69 VAL CA C 69 65.700 64.610 1.090 1
1 775 . 18 1 1 A 69 69 VAL CB C 69 32.000 31.170 0.830 1
1 778 . 18 1 1 A 69 69 VAL N N 69 119.500 115.781 3.719 1
1 779 . 18 1 1 A 70 70 ALA H H 70 9.290 8.313 0.977 1
1 780 . 18 1 1 A 70 70 ALA HA H 70 3.820 3.966 -0.146 1
1 784 . 18 1 1 A 70 70 ALA CA C 70 54.400 55.685 -1.285 1
1 785 . 18 1 1 A 70 70 ALA CB C 70 18.000 18.288 -0.288 1
1 786 . 18 1 1 A 70 70 ALA N N 70 122.500 124.045 -1.545 1
1 787 . 18 1 1 A 71 71 ARG H H 71 8.280 7.730 0.550 1
1 788 . 18 1 1 A 71 71 ARG HA H 71 3.870 4.048 -0.178 1
1 796 . 18 1 1 A 71 71 ARG CA C 71 59.500 58.939 0.561 1
1 797 . 18 1 1 A 71 71 ARG CB C 71 30.000 29.877 0.123 1
1 800 . 18 1 1 A 71 71 ARG N N 71 116.900 117.033 -0.133 1
1 802 . 18 1 1 A 72 72 GLU H H 72 7.390 7.664 -0.274 1
1 803 . 18 1 1 A 72 72 GLU HA H 72 4.300 4.209 0.091 1
1 808 . 18 1 1 A 72 72 GLU CA C 72 57.700 58.671 -0.971 1
1 809 . 18 1 1 A 72 72 GLU CB C 72 30.500 30.369 0.131 1
1 811 . 18 1 1 A 72 72 GLU N N 72 116.800 118.717 -1.917 1
1 812 . 18 1 1 A 73 73 GLU H H 73 8.490 8.218 0.272 1
1 813 . 18 1 1 A 73 73 GLU HA H 73 4.550 4.190 0.360 1
1 818 . 18 1 1 A 73 73 GLU CA C 73 55.900 59.181 -3.281 1
1 819 . 18 1 1 A 73 73 GLU CB C 73 30.800 29.775 1.025 1
1 821 . 18 1 1 A 73 73 GLU N N 73 115.000 118.774 -3.774 1
1 822 . 18 1 1 A 74 74 GLY H H 74 8.070 7.930 0.140 1
1 823 . 18 1 1 A 74 74 GLY HA2 H 74 4.450 3.867 0.583 1
1 824 . 18 1 1 A 74 74 GLY HA3 H 74 3.830 3.880 -0.050 1
1 825 . 18 1 1 A 74 74 GLY CA C 74 44.600 45.339 -0.739 1
1 826 . 18 1 1 A 74 74 GLY N N 74 108.100 108.625 -0.525 1
1 827 . 18 1 1 A 75 75 THR H H 75 8.760 7.530 1.230 1
1 828 . 18 1 1 A 75 75 THR HA H 75 4.670 4.671 -0.001 1
1 833 . 18 1 1 A 75 75 THR CA C 75 59.000 60.794 -1.794 1
1 834 . 18 1 1 A 75 75 THR CB C 75 70.900 69.831 1.069 1
1 836 . 18 1 1 A 75 75 THR N N 75 111.400 113.750 -2.350 1
1 837 . 18 1 1 A 76 76 GLN H H 76 8.710 8.771 -0.061 1
1 838 . 18 1 1 A 76 76 GLN HA H 76 3.940 3.914 0.026 1
1 845 . 18 1 1 A 76 76 GLN CA C 76 58.700 59.013 -0.313 1
1 846 . 18 1 1 A 76 76 GLN CB C 76 27.900 28.235 -0.335 1
1 848 . 18 1 1 A 76 76 GLN N N 76 123.100 125.088 -1.988 1
1 850 . 18 1 1 A 77 77 LYS H H 77 8.240 7.677 0.563 1
1 851 . 18 1 1 A 77 77 LYS HA H 77 4.000 4.030 -0.030 1
1 860 . 18 1 1 A 77 77 LYS CA C 77 59.200 59.573 -0.373 1
1 861 . 18 1 1 A 77 77 LYS CB C 77 31.900 31.958 -0.058 1
1 865 . 18 1 1 A 77 77 LYS N N 77 121.000 119.061 1.939 1
1 866 . 18 1 1 A 78 78 ASP H H 78 7.390 8.184 -0.794 1
1 867 . 18 1 1 A 78 78 ASP HA H 78 4.170 4.441 -0.271 1
1 870 . 18 1 1 A 78 78 ASP CA C 78 57.000 57.221 -0.221 1
1 871 . 18 1 1 A 78 78 ASP CB C 78 41.400 40.484 0.916 1
1 872 . 18 1 1 A 78 78 ASP N N 78 117.800 119.745 -1.945 1
1 873 . 18 1 1 A 79 79 LEU H H 79 7.690 7.912 -0.222 1
1 874 . 18 1 1 A 79 79 LEU HA H 79 3.770 4.064 -0.294 1
1 884 . 18 1 1 A 79 79 LEU CA C 79 58.100 58.090 0.010 1
1 885 . 18 1 1 A 79 79 LEU CB C 79 42.100 41.354 0.746 1
1 889 . 18 1 1 A 79 79 LEU N N 79 118.400 122.695 -4.295 1
1 890 . 18 1 1 A 80 80 SER H H 80 8.400 8.103 0.297 1
1 891 . 18 1 1 A 80 80 SER HA H 80 4.170 4.091 0.079 1
1 894 . 18 1 1 A 80 80 SER CA C 80 61.500 62.036 -0.536 1
1 895 . 18 1 1 A 80 80 SER CB C 80 62.500 62.936 -0.436 1
1 896 . 18 1 1 A 80 80 SER N N 80 114.000 116.429 -2.429 1
1 897 . 18 1 1 A 81 81 GLU H H 81 7.930 7.318 0.612 1
1 898 . 18 1 1 A 81 81 GLU HA H 81 4.030 4.080 -0.050 1
1 903 . 18 1 1 A 81 81 GLU CA C 81 59.000 59.170 -0.170 1
1 904 . 18 1 1 A 81 81 GLU CB C 81 29.000 29.719 -0.719 1
1 906 . 18 1 1 A 81 81 GLU N N 81 121.000 122.507 -1.507 1
1 907 . 18 1 1 A 82 82 LEU H H 82 7.870 8.667 -0.797 1
1 908 . 18 1 1 A 82 82 LEU HA H 82 3.890 4.026 -0.136 1
1 918 . 18 1 1 A 82 82 LEU CA C 82 57.900 58.067 -0.167 1
1 919 . 18 1 1 A 82 82 LEU CB C 82 43.900 41.207 2.693 1
1 923 . 18 1 1 A 82 82 LEU N N 82 120.900 120.126 0.774 1
1 924 . 18 1 1 A 83 83 GLN H H 83 8.520 8.215 0.305 1
1 925 . 18 1 1 A 83 83 GLN HA H 83 3.900 3.869 0.031 1
1 932 . 18 1 1 A 83 83 GLN CA C 83 59.200 58.998 0.202 1
1 933 . 18 1 1 A 83 83 GLN CB C 83 28.300 28.503 -0.203 1
1 935 . 18 1 1 A 83 83 GLN N N 83 118.300 117.827 0.473 1
1 937 . 18 1 1 A 84 84 ASP H H 84 8.140 8.074 0.066 1
1 938 . 18 1 1 A 84 84 ASP HA H 84 4.340 4.383 -0.043 1
1 941 . 18 1 1 A 84 84 ASP CA C 84 57.100 57.387 -0.287 1
1 942 . 18 1 1 A 84 84 ASP CB C 84 41.000 41.309 -0.309 1
1 943 . 18 1 1 A 84 84 ASP N N 84 119.700 119.705 -0.005 1
1 944 . 18 1 1 A 85 85 ALA H H 85 7.740 8.180 -0.440 1
1 945 . 18 1 1 A 85 85 ALA HA H 85 3.810 3.823 -0.013 1
1 949 . 18 1 1 A 85 85 ALA CA C 85 54.600 55.008 -0.408 1
1 950 . 18 1 1 A 85 85 ALA CB C 85 16.200 17.547 -1.347 1
1 951 . 18 1 1 A 85 85 ALA N N 85 121.600 121.323 0.277 1
1 952 . 18 1 1 A 86 86 LYS H H 86 8.070 7.434 0.636 1
1 953 . 18 1 1 A 86 86 LYS HA H 86 3.810 3.983 -0.173 1
1 962 . 18 1 1 A 86 86 LYS CA C 86 60.600 58.972 1.628 1
1 963 . 18 1 1 A 86 86 LYS CB C 86 33.300 31.809 1.491 1
1 967 . 18 1 1 A 86 86 LYS N N 86 120.200 116.313 3.887 1
1 968 . 18 1 1 A 87 87 LEU H H 87 7.780 8.134 -0.354 1
1 969 . 18 1 1 A 87 87 LEU HA H 87 4.160 3.985 0.175 1
1 979 . 18 1 1 A 87 87 LEU CA C 87 57.500 57.980 -0.480 1
1 980 . 18 1 1 A 87 87 LEU CB C 87 41.900 41.533 0.367 1
1 984 . 18 1 1 A 87 87 LEU N N 87 118.400 121.363 -2.963 1
1 985 . 18 1 1 A 88 88 LYS H H 88 7.900 7.942 -0.042 1
1 986 . 18 1 1 A 88 88 LYS HA H 88 3.960 4.006 -0.046 1
1 995 . 18 1 1 A 88 88 LYS CA C 88 59.200 59.013 0.187 1
1 996 . 18 1 1 A 88 88 LYS CB C 88 32.000 31.846 0.154 1
1 1000 . 18 1 1 A 88 88 LYS N N 88 118.700 117.401 1.299 1
1 1001 . 18 1 1 A 89 89 ALA H H 89 8.000 8.178 -0.178 1
1 1002 . 18 1 1 A 89 89 ALA HA H 89 4.150 4.048 0.102 1
1 1006 . 18 1 1 A 89 89 ALA CA C 89 54.500 55.031 -0.531 1
1 1007 . 18 1 1 A 89 89 ALA CB C 89 17.800 18.451 -0.651 1
1 1008 . 18 1 1 A 89 89 ALA N N 89 122.400 121.777 0.623 1
1 1009 . 18 1 1 A 90 90 GLU H H 90 8.300 8.075 0.225 1
1 1010 . 18 1 1 A 90 90 GLU HA H 90 3.930 3.962 -0.032 1
1 1015 . 18 1 1 A 90 90 GLU CA C 90 58.000 59.206 -1.206 1
1 1016 . 18 1 1 A 90 90 GLU CB C 90 29.700 29.191 0.509 1
1 1018 . 18 1 1 A 90 90 GLU N N 90 116.700 117.469 -0.769 1
1 1019 . 18 1 1 A 91 91 GLY H H 91 7.710 7.956 -0.246 1
1 1020 . 18 1 1 A 91 91 GLY HA2 H 91 4.070 3.652 0.418 1
1 1021 . 18 1 1 A 91 91 GLY HA3 H 91 3.870 3.755 0.115 1
1 1022 . 18 1 1 A 91 91 GLY CA C 91 45.500 46.063 -0.563 1
1 1023 . 18 1 1 A 91 91 GLY N N 91 106.000 109.476 -3.476 1
1 1024 . 18 1 1 A 92 92 LEU H H 92 7.640 7.524 0.116 1
1 1025 . 18 1 1 A 92 92 LEU HA H 92 4.270 4.171 0.099 1
1 1035 . 18 1 1 A 92 92 LEU CA C 92 55.200 56.976 -1.776 1
1 1036 . 18 1 1 A 92 92 LEU CB C 92 42.100 43.173 -1.073 1
1 1040 . 18 1 1 A 92 92 LEU N N 92 121.200 120.719 0.481 1
1 1041 . 18 1 1 A 93 93 GLU H H 93 8.290 7.368 0.922 1
1 1042 . 18 1 1 A 93 93 GLU HA H 93 4.130 4.706 -0.576 1
1 1047 . 18 1 1 A 93 93 GLU CA C 93 56.700 55.020 1.680 1
1 1048 . 18 1 1 A 93 93 GLU CB C 93 29.700 31.859 -2.159 1
1 1050 . 18 1 1 A 93 93 GLU N N 93 120.200 113.120 7.080 1
1 1051 . 18 1 1 A 94 94 HIS H H 94 8.260 9.085 -0.825 1
1 1052 . 18 1 1 A 94 94 HIS HA H 94 4.560 5.024 -0.464 1
1 1055 . 18 1 1 A 94 94 HIS CA C 94 55.400 55.389 0.011 1
1 1056 . 18 1 1 A 94 94 HIS CB C 94 29.700 29.627 0.073 1
1 1057 . 18 1 1 A 94 94 HIS N N 94 118.900 124.292 -5.392 1
1 1058 . 18 1 1 A 95 95 HIS H H 95 8.170 9.132 -0.962 1
1 1059 . 18 1 1 A 95 95 HIS HA H 95 4.410 4.169 0.241 1
1 1062 . 18 1 1 A 95 95 HIS CA C 95 57.000 54.428 2.572 1
1 1063 . 18 1 1 A 95 95 HIS CB C 95 30.000 27.449 2.551 1
1 9 . 19 1 1 A 2 2 ASP H H 2 8.560 8.806 -0.246 1
1 10 . 19 1 1 A 2 2 ASP HA H 2 4.850 5.109 -0.259 1
1 13 . 19 1 1 A 2 2 ASP CA C 2 52.200 51.023 1.177 1
1 14 . 19 1 1 A 2 2 ASP CB C 2 40.900 41.715 -0.815 1
1 15 . 19 1 1 A 2 2 ASP N N 2 123.000 126.155 -3.155 1
1 16 . 19 1 1 A 3 3 PRO HA H 3 4.380 4.315 0.065 1
1 23 . 19 1 1 A 3 3 PRO CA C 3 63.500 64.270 -0.770 1
1 24 . 19 1 1 A 3 3 PRO CB C 3 32.100 31.868 0.232 1
1 27 . 19 1 1 A 4 4 GLU H H 4 8.410 8.536 -0.126 1
1 28 . 19 1 1 A 4 4 GLU HA H 4 4.250 4.092 0.158 1
1 33 . 19 1 1 A 4 4 GLU CA C 4 55.900 58.953 -3.053 1
1 34 . 19 1 1 A 4 4 GLU CB C 4 30.100 29.911 0.189 1
1 36 . 19 1 1 A 4 4 GLU N N 4 118.300 117.351 0.949 1
1 37 . 19 1 1 A 5 5 ASP H H 5 8.030 7.609 0.421 1
1 38 . 19 1 1 A 5 5 ASP HA H 5 4.730 4.741 -0.011 1
1 41 . 19 1 1 A 5 5 ASP CA C 5 52.600 52.596 0.004 1
1 42 . 19 1 1 A 5 5 ASP CB C 5 41.700 40.675 1.025 1
1 43 . 19 1 1 A 5 5 ASP N N 5 123.700 120.525 3.175 1
1 44 . 19 1 1 A 6 6 PRO HA H 6 3.940 4.296 -0.356 1
1 51 . 19 1 1 A 6 6 PRO CA C 6 64.900 65.433 -0.533 1
1 52 . 19 1 1 A 6 6 PRO CB C 6 31.000 31.452 -0.452 1
1 55 . 19 1 1 A 7 7 PHE H H 7 8.130 7.712 0.418 1
1 56 . 19 1 1 A 7 7 PHE HA H 7 4.220 4.131 0.089 1
1 64 . 19 1 1 A 7 7 PHE CA C 7 60.800 61.528 -0.728 1
1 65 . 19 1 1 A 7 7 PHE CB C 7 38.300 39.293 -0.993 1
1 69 . 19 1 1 A 7 7 PHE N N 7 117.200 118.573 -1.373 1
1 70 . 19 1 1 A 8 8 THR H H 8 7.830 8.311 -0.481 1
1 71 . 19 1 1 A 8 8 THR HA H 8 3.710 3.847 -0.137 1
1 76 . 19 1 1 A 8 8 THR CA C 8 66.200 66.882 -0.682 1
1 77 . 19 1 1 A 8 8 THR CB C 8 68.300 68.670 -0.370 1
1 79 . 19 1 1 A 8 8 THR N N 8 115.700 115.822 -0.122 1
1 80 . 19 1 1 A 9 9 ARG H H 9 7.300 8.373 -1.073 1
1 81 . 19 1 1 A 9 9 ARG HA H 9 3.840 3.996 -0.156 1
1 89 . 19 1 1 A 9 9 ARG CA C 9 59.700 58.748 0.952 1
1 90 . 19 1 1 A 9 9 ARG CB C 9 30.400 30.153 0.247 1
1 93 . 19 1 1 A 9 9 ARG N N 9 121.400 120.189 1.211 1
1 95 . 19 1 1 A 10 10 TYR H H 10 8.480 8.108 0.372 1
1 96 . 19 1 1 A 10 10 TYR HA H 10 3.800 4.182 -0.382 1
1 103 . 19 1 1 A 10 10 TYR CA C 10 61.400 61.425 -0.025 1
1 104 . 19 1 1 A 10 10 TYR CB C 10 38.300 38.809 -0.509 1
1 107 . 19 1 1 A 10 10 TYR N N 10 121.700 121.652 0.048 1
1 108 . 19 1 1 A 11 11 ALA H H 11 8.500 8.268 0.232 1
1 109 . 19 1 1 A 11 11 ALA HA H 11 3.700 3.885 -0.185 1
1 113 . 19 1 1 A 11 11 ALA CA C 11 54.400 55.069 -0.669 1
1 114 . 19 1 1 A 11 11 ALA CB C 11 17.300 17.904 -0.604 1
1 115 . 19 1 1 A 11 11 ALA N N 11 121.700 121.836 -0.136 1
1 116 . 19 1 1 A 12 12 LEU H H 12 7.690 8.336 -0.646 1
1 117 . 19 1 1 A 12 12 LEU HA H 12 3.920 3.863 0.057 1
1 127 . 19 1 1 A 12 12 LEU CA C 12 57.100 57.772 -0.672 1
1 128 . 19 1 1 A 12 12 LEU CB C 12 41.500 41.192 0.308 1
1 132 . 19 1 1 A 12 12 LEU N N 12 120.900 118.550 2.350 1
1 133 . 19 1 1 A 13 13 ALA H H 13 8.010 8.199 -0.189 1
1 134 . 19 1 1 A 13 13 ALA HA H 13 3.500 4.025 -0.525 1
1 138 . 19 1 1 A 13 13 ALA CA C 13 55.400 55.317 0.083 1
1 139 . 19 1 1 A 13 13 ALA CB C 13 17.400 17.932 -0.532 1
1 140 . 19 1 1 A 13 13 ALA N N 13 123.000 121.468 1.532 1
1 141 . 19 1 1 A 14 14 GLN H H 14 7.660 7.599 0.061 1
1 142 . 19 1 1 A 14 14 GLN HA H 14 3.910 4.087 -0.177 1
1 149 . 19 1 1 A 14 14 GLN CA C 14 58.200 58.552 -0.352 1
1 150 . 19 1 1 A 14 14 GLN CB C 14 27.700 28.241 -0.541 1
1 152 . 19 1 1 A 14 14 GLN N N 14 114.000 117.205 -3.205 1
1 154 . 19 1 1 A 15 15 GLU H H 15 7.900 7.842 0.058 1
1 155 . 19 1 1 A 15 15 GLU HA H 15 3.900 3.979 -0.079 1
1 160 . 19 1 1 A 15 15 GLU CA C 15 58.800 59.162 -0.362 1
1 161 . 19 1 1 A 15 15 GLU CB C 15 28.600 29.311 -0.711 1
1 163 . 19 1 1 A 15 15 GLU N N 15 122.400 121.370 1.030 1
1 164 . 19 1 1 A 16 16 HIS H H 16 8.220 7.815 0.405 1
1 165 . 19 1 1 A 16 16 HIS HA H 16 4.520 4.485 0.035 1
1 170 . 19 1 1 A 16 16 HIS CA C 16 59.700 59.313 0.387 1
1 171 . 19 1 1 A 16 16 HIS CB C 16 29.600 29.732 -0.132 1
1 174 . 19 1 1 A 16 16 HIS N N 16 119.100 119.033 0.067 1
1 175 . 19 1 1 A 17 17 LEU H H 17 8.090 8.324 -0.234 1
1 176 . 19 1 1 A 17 17 LEU HA H 17 3.870 3.819 0.051 1
1 186 . 19 1 1 A 17 17 LEU CA C 17 57.900 57.975 -0.075 1
1 187 . 19 1 1 A 17 17 LEU CB C 17 41.400 41.357 0.043 1
1 191 . 19 1 1 A 17 17 LEU N N 17 120.500 119.911 0.589 1
1 192 . 19 1 1 A 18 18 LYS H H 18 7.960 7.619 0.341 1
1 193 . 19 1 1 A 18 18 LYS HA H 18 4.030 3.922 0.108 1
1 202 . 19 1 1 A 18 18 LYS CA C 18 58.400 58.760 -0.360 1
1 203 . 19 1 1 A 18 18 LYS CB C 18 31.800 32.136 -0.336 1
1 207 . 19 1 1 A 18 18 LYS N N 18 121.000 117.864 3.136 1
1 208 . 19 1 1 A 19 19 HIS H H 19 7.410 7.136 0.274 1
1 209 . 19 1 1 A 19 19 HIS HA H 19 4.720 4.622 0.098 1
1 213 . 19 1 1 A 19 19 HIS CA C 19 54.700 55.651 -0.951 1
1 214 . 19 1 1 A 19 19 HIS CB C 19 28.500 29.942 -1.442 1
1 216 . 19 1 1 A 19 19 HIS N N 19 115.800 114.908 0.892 1
1 217 . 19 1 1 A 20 20 ASP H H 20 8.010 8.185 -0.175 1
1 218 . 19 1 1 A 20 20 ASP HA H 20 4.370 4.176 0.194 1
1 221 . 19 1 1 A 20 20 ASP CA C 20 55.600 55.545 0.055 1
1 222 . 19 1 1 A 20 20 ASP CB C 20 39.600 40.680 -1.080 1
1 223 . 19 1 1 A 20 20 ASP N N 20 115.900 118.222 -2.322 1
1 224 . 19 1 1 A 21 21 ASN H H 21 8.450 8.462 -0.012 1
1 225 . 19 1 1 A 21 21 ASN HA H 21 5.130 4.981 0.149 1
1 230 . 19 1 1 A 21 21 ASN CA C 21 50.600 52.107 -1.507 1
1 231 . 19 1 1 A 21 21 ASN CB C 21 37.000 36.350 0.650 1
1 232 . 19 1 1 A 21 21 ASN N N 21 118.700 118.060 0.640 1
1 234 . 19 1 1 A 22 22 ALA H H 22 8.010 8.361 -0.351 1
1 235 . 19 1 1 A 22 22 ALA HA H 22 3.840 3.987 -0.147 1
1 239 . 19 1 1 A 22 22 ALA CA C 22 55.300 55.295 0.005 1
1 240 . 19 1 1 A 22 22 ALA CB C 22 18.300 18.232 0.068 1
1 241 . 19 1 1 A 22 22 ALA N N 22 123.300 124.998 -1.698 1
1 242 . 19 1 1 A 23 23 SER H H 23 8.670 7.955 0.715 1
1 243 . 19 1 1 A 23 23 SER HA H 23 4.070 4.120 -0.050 1
1 246 . 19 1 1 A 23 23 SER CA C 23 61.800 61.492 0.308 1
1 247 . 19 1 1 A 23 23 SER CB C 23 61.900 62.998 -1.098 1
1 248 . 19 1 1 A 23 23 SER N N 23 112.500 113.472 -0.972 1
1 249 . 19 1 1 A 24 24 ARG H H 24 7.230 7.893 -0.663 1
1 250 . 19 1 1 A 24 24 ARG HA H 24 3.960 3.832 0.128 1
1 257 . 19 1 1 A 24 24 ARG CA C 24 57.000 59.742 -2.742 1
1 258 . 19 1 1 A 24 24 ARG CB C 24 29.100 29.811 -0.711 1
1 261 . 19 1 1 A 24 24 ARG N N 24 122.300 121.221 1.079 1
1 262 . 19 1 1 A 25 25 ALA H H 25 7.340 7.816 -0.476 1
1 263 . 19 1 1 A 25 25 ALA HA H 25 3.570 3.946 -0.376 1
1 267 . 19 1 1 A 25 25 ALA CA C 25 55.300 54.893 0.407 1
1 268 . 19 1 1 A 25 25 ALA CB C 25 18.700 18.219 0.481 1
1 269 . 19 1 1 A 25 25 ALA N N 25 120.200 121.547 -1.347 1
1 270 . 19 1 1 A 26 26 LEU H H 26 8.420 8.383 0.037 1
1 271 . 19 1 1 A 26 26 LEU HA H 26 3.800 4.240 -0.440 1
1 281 . 19 1 1 A 26 26 LEU CA C 26 58.300 57.856 0.444 1
1 282 . 19 1 1 A 26 26 LEU CB C 26 41.800 41.302 0.498 1
1 286 . 19 1 1 A 26 26 LEU N N 26 116.500 120.139 -3.639 1
1 287 . 19 1 1 A 27 27 ALA H H 27 7.190 8.236 -1.046 1
1 288 . 19 1 1 A 27 27 ALA HA H 27 4.120 3.998 0.122 1
1 292 . 19 1 1 A 27 27 ALA CA C 27 54.700 55.148 -0.448 1
1 293 . 19 1 1 A 27 27 ALA CB C 27 18.000 17.968 0.032 1
1 294 . 19 1 1 A 27 27 ALA N N 27 118.200 120.584 -2.384 1
1 295 . 19 1 1 A 28 28 LEU H H 28 7.500 7.716 -0.216 1
1 296 . 19 1 1 A 28 28 LEU HA H 28 4.070 3.876 0.194 1
1 306 . 19 1 1 A 28 28 LEU CA C 28 57.600 57.718 -0.118 1
1 307 . 19 1 1 A 28 28 LEU CB C 28 43.100 41.970 1.130 1
1 311 . 19 1 1 A 28 28 LEU N N 28 118.300 118.696 -0.396 1
1 312 . 19 1 1 A 29 29 PHE H H 29 8.690 7.867 0.823 1
1 313 . 19 1 1 A 29 29 PHE HA H 29 4.630 4.330 0.300 1
1 321 . 19 1 1 A 29 29 PHE CA C 29 58.700 60.670 -1.970 1
1 322 . 19 1 1 A 29 29 PHE CB C 29 40.300 38.334 1.966 1
1 326 . 19 1 1 A 29 29 PHE N N 29 119.000 117.781 1.219 1
1 327 . 19 1 1 A 30 30 GLU H H 30 8.990 8.400 0.590 1
1 328 . 19 1 1 A 30 30 GLU HA H 30 3.790 3.873 -0.083 1
1 333 . 19 1 1 A 30 30 GLU CA C 30 60.100 59.919 0.181 1
1 334 . 19 1 1 A 30 30 GLU CB C 30 29.100 29.287 -0.187 1
1 336 . 19 1 1 A 30 30 GLU N N 30 117.400 118.726 -1.326 1
1 337 . 19 1 1 A 31 31 GLU H H 31 7.830 8.232 -0.402 1
1 338 . 19 1 1 A 31 31 GLU HA H 31 4.160 4.141 0.019 1
1 343 . 19 1 1 A 31 31 GLU CA C 31 58.800 59.073 -0.273 1
1 344 . 19 1 1 A 31 31 GLU CB C 31 29.900 29.495 0.405 1
1 346 . 19 1 1 A 31 31 GLU N N 31 119.500 119.881 -0.381 1
1 347 . 19 1 1 A 32 32 LEU H H 32 7.920 8.258 -0.338 1
1 348 . 19 1 1 A 32 32 LEU HA H 32 4.130 4.093 0.037 1
1 358 . 19 1 1 A 32 32 LEU CA C 32 58.200 58.066 0.134 1
1 359 . 19 1 1 A 32 32 LEU CB C 32 43.000 41.669 1.331 1
1 363 . 19 1 1 A 32 32 LEU N N 32 122.000 120.400 1.600 1
1 364 . 19 1 1 A 33 33 VAL H H 33 7.460 7.890 -0.430 1
1 365 . 19 1 1 A 33 33 VAL HA H 33 3.590 3.362 0.228 1
1 373 . 19 1 1 A 33 33 VAL CA C 33 65.800 66.800 -1.000 1
1 374 . 19 1 1 A 33 33 VAL CB C 33 31.500 31.476 0.024 1
1 377 . 19 1 1 A 33 33 VAL N N 33 116.000 119.683 -3.683 1
1 378 . 19 1 1 A 34 34 GLU H H 34 7.210 8.089 -0.879 1
1 379 . 19 1 1 A 34 34 GLU HA H 34 4.130 4.101 0.029 1
1 384 . 19 1 1 A 34 34 GLU CA C 34 58.500 58.853 -0.353 1
1 385 . 19 1 1 A 34 34 GLU CB C 34 29.900 28.233 1.667 1
1 387 . 19 1 1 A 34 34 GLU N N 34 117.400 119.492 -2.092 1
1 388 . 19 1 1 A 35 35 THR H H 35 9.100 7.351 1.749 1
1 389 . 19 1 1 A 35 35 THR HA H 35 4.180 4.302 -0.122 1
1 394 . 19 1 1 A 35 35 THR CA C 35 63.900 64.132 -0.232 1
1 395 . 19 1 1 A 35 35 THR CB C 35 69.300 69.153 0.147 1
1 397 . 19 1 1 A 35 35 THR N N 35 109.900 111.448 -1.548 1
1 398 . 19 1 1 A 36 36 ASP H H 36 8.630 8.153 0.477 1
1 399 . 19 1 1 A 36 36 ASP HA H 36 5.300 5.129 0.171 1
1 402 . 19 1 1 A 36 36 ASP CA C 36 52.700 51.450 1.250 1
1 403 . 19 1 1 A 36 36 ASP CB C 36 42.400 41.359 1.041 1
1 404 . 19 1 1 A 36 36 ASP N N 36 122.800 120.337 2.463 1
1 405 . 19 1 1 A 37 37 PRO HA H 37 4.560 4.923 -0.363 1
1 412 . 19 1 1 A 37 37 PRO CA C 37 64.400 64.219 0.181 1
1 413 . 19 1 1 A 37 37 PRO CB C 37 31.100 32.023 -0.923 1
1 416 . 19 1 1 A 38 38 ASP H H 38 8.630 8.534 0.096 1
1 417 . 19 1 1 A 38 38 ASP HA H 38 4.570 4.492 0.078 1
1 420 . 19 1 1 A 38 38 ASP CA C 38 53.800 56.964 -3.164 1
1 421 . 19 1 1 A 38 38 ASP CB C 38 39.500 40.696 -1.196 1
1 422 . 19 1 1 A 38 38 ASP N N 38 113.700 117.300 -3.600 1
1 423 . 19 1 1 A 39 39 TYR H H 39 8.110 7.657 0.453 1
1 424 . 19 1 1 A 39 39 TYR HA H 39 4.540 4.677 -0.137 1
1 431 . 19 1 1 A 39 39 TYR CA C 39 58.500 56.407 2.093 1
1 432 . 19 1 1 A 39 39 TYR CB C 39 36.500 37.734 -1.234 1
1 435 . 19 1 1 A 39 39 TYR N N 39 123.700 121.095 2.605 1
1 436 . 19 1 1 A 40 40 VAL H H 40 7.880 8.198 -0.318 1
1 437 . 19 1 1 A 40 40 VAL HA H 40 3.770 3.857 -0.087 1
1 445 . 19 1 1 A 40 40 VAL CA C 40 65.000 66.448 -1.448 1
1 446 . 19 1 1 A 40 40 VAL CB C 40 32.500 31.441 1.059 1
1 449 . 19 1 1 A 40 40 VAL N N 40 128.100 125.717 2.383 1
1 450 . 19 1 1 A 41 41 GLY H H 41 7.530 8.031 -0.501 1
1 451 . 19 1 1 A 41 41 GLY HA2 H 41 3.410 3.495 -0.085 1
1 452 . 19 1 1 A 41 41 GLY HA3 H 41 3.880 3.902 -0.022 1
1 453 . 19 1 1 A 41 41 GLY CA C 41 46.400 47.213 -0.813 1
1 454 . 19 1 1 A 41 41 GLY N N 41 105.900 108.251 -2.351 1
1 455 . 19 1 1 A 42 42 THR H H 42 7.150 7.756 -0.606 1
1 456 . 19 1 1 A 42 42 THR HA H 42 3.580 4.330 -0.750 1
1 462 . 19 1 1 A 42 42 THR CA C 42 65.600 67.053 -1.453 1
1 463 . 19 1 1 A 42 42 THR CB C 42 68.900 68.701 0.199 1
1 465 . 19 1 1 A 42 42 THR N N 42 111.900 118.389 -6.489 1
1 466 . 19 1 1 A 43 43 TYR H H 43 7.040 8.654 -1.614 1
1 467 . 19 1 1 A 43 43 TYR HA H 43 3.460 4.311 -0.851 1
1 474 . 19 1 1 A 43 43 TYR CA C 43 64.100 60.626 3.474 1
1 475 . 19 1 1 A 43 43 TYR CB C 43 38.300 38.566 -0.266 1
1 478 . 19 1 1 A 43 43 TYR N N 43 113.500 120.946 -7.446 1
1 479 . 19 1 1 A 44 44 TYR H H 44 9.770 8.322 1.448 1
1 480 . 19 1 1 A 44 44 TYR HA H 44 3.990 4.465 -0.475 1
1 487 . 19 1 1 A 44 44 TYR CA C 44 61.900 62.040 -0.140 1
1 488 . 19 1 1 A 44 44 TYR CB C 44 38.800 39.051 -0.251 1
1 491 . 19 1 1 A 44 44 TYR N N 44 119.800 120.733 -0.933 1
1 492 . 19 1 1 A 45 45 HIS H H 45 6.380 8.177 -1.797 1
1 493 . 19 1 1 A 45 45 HIS HA H 45 3.770 4.100 -0.330 1
1 498 . 19 1 1 A 45 45 HIS CA C 45 58.500 59.614 -1.114 1
1 499 . 19 1 1 A 45 45 HIS CB C 45 31.600 29.853 1.747 1
1 502 . 19 1 1 A 45 45 HIS N N 45 114.500 116.959 -2.459 1
1 503 . 19 1 1 A 46 46 LEU H H 46 8.360 8.432 -0.072 1
1 504 . 19 1 1 A 46 46 LEU HA H 46 3.660 3.348 0.312 1
1 514 . 19 1 1 A 46 46 LEU CA C 46 57.100 57.630 -0.530 1
1 515 . 19 1 1 A 46 46 LEU CB C 46 40.800 41.764 -0.964 1
1 519 . 19 1 1 A 46 46 LEU N N 46 121.100 120.664 0.436 1
1 520 . 19 1 1 A 47 47 GLY H H 47 8.440 8.161 0.279 1
1 521 . 19 1 1 A 47 47 GLY HA2 H 47 3.350 3.196 0.154 1
1 522 . 19 1 1 A 47 47 GLY HA3 H 47 3.530 3.693 -0.163 1
1 523 . 19 1 1 A 47 47 GLY CA C 47 47.200 46.877 0.323 1
1 524 . 19 1 1 A 47 47 GLY N N 47 106.500 106.051 0.449 1
1 525 . 19 1 1 A 48 48 LYS H H 48 7.970 7.832 0.138 1
1 526 . 19 1 1 A 48 48 LYS HA H 48 3.800 3.909 -0.109 1
1 535 . 19 1 1 A 48 48 LYS CA C 48 58.200 59.323 -1.123 1
1 536 . 19 1 1 A 48 48 LYS CB C 48 31.600 32.130 -0.530 1
1 540 . 19 1 1 A 48 48 LYS N N 48 120.500 121.739 -1.239 1
1 541 . 19 1 1 A 49 49 LEU H H 49 7.800 7.541 0.259 1
1 542 . 19 1 1 A 49 49 LEU HA H 49 4.170 3.878 0.292 1
1 552 . 19 1 1 A 49 49 LEU CA C 49 57.500 57.424 0.076 1
1 553 . 19 1 1 A 49 49 LEU CB C 49 41.000 41.535 -0.535 1
1 557 . 19 1 1 A 49 49 LEU N N 49 124.000 120.648 3.352 1
1 558 . 19 1 1 A 50 50 TYR H H 50 8.610 7.774 0.836 1
1 559 . 19 1 1 A 50 50 TYR HA H 50 4.420 4.253 0.167 1
1 566 . 19 1 1 A 50 50 TYR CA C 50 59.600 60.788 -1.188 1
1 567 . 19 1 1 A 50 50 TYR CB C 50 35.600 37.842 -2.242 1
1 570 . 19 1 1 A 50 50 TYR N N 50 119.000 118.632 0.368 1
1 571 . 19 1 1 A 51 51 GLU H H 51 8.410 8.461 -0.051 1
1 572 . 19 1 1 A 51 51 GLU HA H 51 3.760 3.887 -0.127 1
1 577 . 19 1 1 A 51 51 GLU CA C 51 61.600 59.943 1.657 1
1 578 . 19 1 1 A 51 51 GLU CB C 51 29.800 29.334 0.466 1
1 580 . 19 1 1 A 51 51 GLU N N 51 118.600 118.488 0.112 1
1 581 . 19 1 1 A 52 52 ARG H H 52 7.910 7.880 0.030 1
1 582 . 19 1 1 A 52 52 ARG HA H 52 4.150 4.106 0.044 1
1 589 . 19 1 1 A 52 52 ARG CA C 52 58.600 58.666 -0.066 1
1 590 . 19 1 1 A 52 52 ARG CB C 52 29.600 30.010 -0.410 1
1 593 . 19 1 1 A 52 52 ARG N N 52 122.200 120.351 1.849 1
1 594 . 19 1 1 A 53 53 LEU H H 53 7.740 7.515 0.225 1
1 595 . 19 1 1 A 53 53 LEU HA H 53 4.400 4.377 0.023 1
1 605 . 19 1 1 A 53 53 LEU CA C 53 54.100 54.601 -0.501 1
1 606 . 19 1 1 A 53 53 LEU CB C 53 41.400 41.934 -0.534 1
1 610 . 19 1 1 A 53 53 LEU N N 53 119.400 117.876 1.524 1
1 611 . 19 1 1 A 54 54 ASP H H 54 8.090 8.274 -0.184 1
1 612 . 19 1 1 A 54 54 ASP HA H 54 4.410 4.228 0.182 1
1 615 . 19 1 1 A 54 54 ASP CA C 54 55.500 55.535 -0.035 1
1 616 . 19 1 1 A 54 54 ASP CB C 54 38.900 40.608 -1.708 1
1 617 . 19 1 1 A 54 54 ASP N N 54 116.300 118.457 -2.157 1
1 618 . 19 1 1 A 55 55 ARG H H 55 8.420 8.452 -0.032 1
1 619 . 19 1 1 A 55 55 ARG HA H 55 4.680 4.584 0.096 1
1 627 . 19 1 1 A 55 55 ARG CA C 55 54.000 54.571 -0.571 1
1 628 . 19 1 1 A 55 55 ARG CB C 55 29.800 28.204 1.596 1
1 631 . 19 1 1 A 55 55 ARG N N 55 120.800 119.858 0.942 1
1 633 . 19 1 1 A 56 56 THR H H 56 7.870 7.928 -0.058 1
1 634 . 19 1 1 A 56 56 THR HA H 56 3.510 3.744 -0.234 1
1 639 . 19 1 1 A 56 56 THR CA C 56 67.500 67.472 0.028 1
1 640 . 19 1 1 A 56 56 THR CB C 56 68.000 68.680 -0.680 1
1 642 . 19 1 1 A 56 56 THR N N 56 117.300 116.055 1.245 1
1 643 . 19 1 1 A 57 57 ASP H H 57 8.450 8.348 0.102 1
1 644 . 19 1 1 A 57 57 ASP HA H 57 4.260 4.236 0.024 1
1 647 . 19 1 1 A 57 57 ASP CA C 57 57.900 57.855 0.045 1
1 648 . 19 1 1 A 57 57 ASP CB C 57 39.100 41.692 -2.592 1
1 649 . 19 1 1 A 57 57 ASP N N 57 120.300 121.511 -1.211 1
1 650 . 19 1 1 A 58 58 ASP H H 58 7.540 8.106 -0.566 1
1 651 . 19 1 1 A 58 58 ASP HA H 58 4.170 4.115 0.055 1
1 654 . 19 1 1 A 58 58 ASP CA C 58 56.900 57.026 -0.126 1
1 655 . 19 1 1 A 58 58 ASP CB C 58 38.400 40.072 -1.672 1
1 656 . 19 1 1 A 58 58 ASP N N 58 120.200 119.393 0.807 1
1 657 . 19 1 1 A 59 59 ALA H H 59 8.110 7.793 0.317 1
1 658 . 19 1 1 A 59 59 ALA HA H 59 3.760 3.923 -0.163 1
1 662 . 19 1 1 A 59 59 ALA CA C 59 56.000 54.930 1.070 1
1 663 . 19 1 1 A 59 59 ALA CB C 59 19.200 18.538 0.662 1
1 664 . 19 1 1 A 59 59 ALA N N 59 124.700 121.393 3.307 1
1 665 . 19 1 1 A 60 60 ILE H H 60 8.230 8.171 0.059 1
1 666 . 19 1 1 A 60 60 ILE HA H 60 3.520 3.869 -0.349 1
1 676 . 19 1 1 A 60 60 ILE CA C 60 66.800 65.395 1.405 1
1 677 . 19 1 1 A 60 60 ILE CB C 60 38.400 37.788 0.612 1
1 681 . 19 1 1 A 60 60 ILE N N 60 117.600 117.803 -0.203 1
1 682 . 19 1 1 A 61 61 ASP H H 61 7.750 8.182 -0.432 1
1 683 . 19 1 1 A 61 61 ASP HA H 61 4.440 4.362 0.078 1
1 686 . 19 1 1 A 61 61 ASP CA C 61 57.100 57.073 0.027 1
1 687 . 19 1 1 A 61 61 ASP CB C 61 40.500 41.475 -0.975 1
1 688 . 19 1 1 A 61 61 ASP N N 61 118.300 120.524 -2.224 1
1 689 . 19 1 1 A 62 62 THR H H 62 8.040 7.913 0.127 1
1 690 . 19 1 1 A 62 62 THR HA H 62 4.070 3.995 0.075 1
1 695 . 19 1 1 A 62 62 THR CA C 62 68.000 66.687 1.313 1
1 696 . 19 1 1 A 62 62 THR CB C 62 68.600 68.403 0.197 1
1 698 . 19 1 1 A 62 62 THR N N 62 119.800 115.972 3.828 1
1 699 . 19 1 1 A 63 63 TYR H H 63 8.970 8.189 0.781 1
1 700 . 19 1 1 A 63 63 TYR HA H 63 4.480 4.509 -0.029 1
1 707 . 19 1 1 A 63 63 TYR CA C 63 59.200 61.333 -2.133 1
1 708 . 19 1 1 A 63 63 TYR CB C 63 37.700 37.365 0.335 1
1 711 . 19 1 1 A 63 63 TYR N N 63 121.700 120.581 1.119 1
1 712 . 19 1 1 A 64 64 ALA H H 64 8.690 8.250 0.440 1
1 713 . 19 1 1 A 64 64 ALA HA H 64 4.000 4.052 -0.052 1
1 717 . 19 1 1 A 64 64 ALA CA C 64 55.500 55.438 0.062 1
1 718 . 19 1 1 A 64 64 ALA CB C 64 17.800 17.984 -0.184 1
1 719 . 19 1 1 A 64 64 ALA N N 64 119.400 122.665 -3.265 1
1 720 . 19 1 1 A 65 65 GLN H H 65 8.100 8.175 -0.075 1
1 721 . 19 1 1 A 65 65 GLN HA H 65 4.010 4.368 -0.358 1
1 728 . 19 1 1 A 65 65 GLN CA C 65 58.600 58.772 -0.172 1
1 729 . 19 1 1 A 65 65 GLN CB C 65 28.500 28.677 -0.177 1
1 731 . 19 1 1 A 65 65 GLN N N 65 119.600 117.723 1.877 1
1 733 . 19 1 1 A 66 66 GLY H H 66 8.430 8.423 0.007 1
1 734 . 19 1 1 A 66 66 GLY HA2 H 66 3.080 3.072 0.008 1
1 735 . 19 1 1 A 66 66 GLY HA3 H 66 2.520 3.658 -1.138 1
1 736 . 19 1 1 A 66 66 GLY CA C 66 46.800 47.156 -0.356 1
1 737 . 19 1 1 A 66 66 GLY N N 66 108.200 109.106 -0.906 1
1 738 . 19 1 1 A 67 67 ILE H H 67 8.570 8.526 0.044 1
1 739 . 19 1 1 A 67 67 ILE HA H 67 3.320 3.812 -0.492 1
1 749 . 19 1 1 A 67 67 ILE CA C 67 65.900 64.243 1.657 1
1 750 . 19 1 1 A 67 67 ILE CB C 67 38.400 37.401 0.999 1
1 754 . 19 1 1 A 67 67 ILE N N 67 123.500 122.432 1.068 1
1 755 . 19 1 1 A 68 68 GLU H H 68 7.030 7.514 -0.484 1
1 756 . 19 1 1 A 68 68 GLU HA H 68 3.960 4.041 -0.081 1
1 761 . 19 1 1 A 68 68 GLU CA C 68 58.700 59.313 -0.613 1
1 762 . 19 1 1 A 68 68 GLU CB C 68 28.500 29.379 -0.879 1
1 764 . 19 1 1 A 68 68 GLU N N 68 116.500 119.431 -2.931 1
1 765 . 19 1 1 A 69 69 VAL H H 69 7.440 7.465 -0.025 1
1 766 . 19 1 1 A 69 69 VAL HA H 69 3.740 3.861 -0.121 1
1 774 . 19 1 1 A 69 69 VAL CA C 69 65.700 64.429 1.271 1
1 775 . 19 1 1 A 69 69 VAL CB C 69 32.000 31.186 0.814 1
1 778 . 19 1 1 A 69 69 VAL N N 69 119.500 116.014 3.486 1
1 779 . 19 1 1 A 70 70 ALA H H 70 9.290 8.283 1.007 1
1 780 . 19 1 1 A 70 70 ALA HA H 70 3.820 3.986 -0.166 1
1 784 . 19 1 1 A 70 70 ALA CA C 70 54.400 55.670 -1.270 1
1 785 . 19 1 1 A 70 70 ALA CB C 70 18.000 18.303 -0.303 1
1 786 . 19 1 1 A 70 70 ALA N N 70 122.500 124.026 -1.526 1
1 787 . 19 1 1 A 71 71 ARG H H 71 8.280 7.769 0.511 1
1 788 . 19 1 1 A 71 71 ARG HA H 71 3.870 4.026 -0.156 1
1 796 . 19 1 1 A 71 71 ARG CA C 71 59.500 58.910 0.590 1
1 797 . 19 1 1 A 71 71 ARG CB C 71 30.000 29.979 0.021 1
1 800 . 19 1 1 A 71 71 ARG N N 71 116.900 117.036 -0.136 1
1 802 . 19 1 1 A 72 72 GLU H H 72 7.390 7.787 -0.397 1
1 803 . 19 1 1 A 72 72 GLU HA H 72 4.300 4.233 0.067 1
1 808 . 19 1 1 A 72 72 GLU CA C 72 57.700 58.710 -1.010 1
1 809 . 19 1 1 A 72 72 GLU CB C 72 30.500 30.509 -0.009 1
1 811 . 19 1 1 A 72 72 GLU N N 72 116.800 118.682 -1.882 1
1 812 . 19 1 1 A 73 73 GLU H H 73 8.490 8.444 0.046 1
1 813 . 19 1 1 A 73 73 GLU HA H 73 4.550 4.251 0.299 1
1 818 . 19 1 1 A 73 73 GLU CA C 73 55.900 58.315 -2.415 1
1 819 . 19 1 1 A 73 73 GLU CB C 73 30.800 30.087 0.713 1
1 821 . 19 1 1 A 73 73 GLU N N 73 115.000 117.908 -2.908 1
1 822 . 19 1 1 A 74 74 GLY H H 74 8.070 7.480 0.590 1
1 823 . 19 1 1 A 74 74 GLY HA2 H 74 4.450 4.029 0.421 1
1 824 . 19 1 1 A 74 74 GLY HA3 H 74 3.830 4.041 -0.211 1
1 825 . 19 1 1 A 74 74 GLY CA C 74 44.600 44.504 0.096 1
1 826 . 19 1 1 A 74 74 GLY N N 74 108.100 108.379 -0.279 1
1 827 . 19 1 1 A 75 75 THR H H 75 8.760 8.087 0.673 1
1 828 . 19 1 1 A 75 75 THR HA H 75 4.670 4.864 -0.194 1
1 833 . 19 1 1 A 75 75 THR CA C 75 59.000 60.336 -1.336 1
1 834 . 19 1 1 A 75 75 THR CB C 75 70.900 70.590 0.310 1
1 836 . 19 1 1 A 75 75 THR N N 75 111.400 115.736 -4.336 1
1 837 . 19 1 1 A 76 76 GLN H H 76 8.710 8.803 -0.093 1
1 838 . 19 1 1 A 76 76 GLN HA H 76 3.940 3.991 -0.051 1
1 845 . 19 1 1 A 76 76 GLN CA C 76 58.700 58.964 -0.264 1
1 846 . 19 1 1 A 76 76 GLN CB C 76 27.900 28.219 -0.319 1
1 848 . 19 1 1 A 76 76 GLN N N 76 123.100 125.501 -2.401 1
1 850 . 19 1 1 A 77 77 LYS H H 77 8.240 7.603 0.637 1
1 851 . 19 1 1 A 77 77 LYS HA H 77 4.000 4.011 -0.011 1
1 860 . 19 1 1 A 77 77 LYS CA C 77 59.200 58.809 0.391 1
1 861 . 19 1 1 A 77 77 LYS CB C 77 31.900 31.969 -0.069 1
1 865 . 19 1 1 A 77 77 LYS N N 77 121.000 119.275 1.725 1
1 866 . 19 1 1 A 78 78 ASP H H 78 7.390 7.681 -0.291 1
1 867 . 19 1 1 A 78 78 ASP HA H 78 4.170 4.378 -0.208 1
1 870 . 19 1 1 A 78 78 ASP CA C 78 57.000 57.147 -0.147 1
1 871 . 19 1 1 A 78 78 ASP CB C 78 41.400 40.567 0.833 1
1 872 . 19 1 1 A 78 78 ASP N N 78 117.800 118.586 -0.786 1
1 873 . 19 1 1 A 79 79 LEU H H 79 7.690 7.656 0.034 1
1 874 . 19 1 1 A 79 79 LEU HA H 79 3.770 4.075 -0.305 1
1 884 . 19 1 1 A 79 79 LEU CA C 79 58.100 57.751 0.349 1
1 885 . 19 1 1 A 79 79 LEU CB C 79 42.100 41.375 0.725 1
1 889 . 19 1 1 A 79 79 LEU N N 79 118.400 122.474 -4.074 1
1 890 . 19 1 1 A 80 80 SER H H 80 8.400 8.324 0.076 1
1 891 . 19 1 1 A 80 80 SER HA H 80 4.170 4.112 0.058 1
1 894 . 19 1 1 A 80 80 SER CA C 80 61.500 61.187 0.313 1
1 895 . 19 1 1 A 80 80 SER CB C 80 62.500 63.134 -0.634 1
1 896 . 19 1 1 A 80 80 SER N N 80 114.000 114.265 -0.265 1
1 897 . 19 1 1 A 81 81 GLU H H 81 7.930 7.356 0.574 1
1 898 . 19 1 1 A 81 81 GLU HA H 81 4.030 4.159 -0.129 1
1 903 . 19 1 1 A 81 81 GLU CA C 81 59.000 59.163 -0.163 1
1 904 . 19 1 1 A 81 81 GLU CB C 81 29.000 30.090 -1.090 1
1 906 . 19 1 1 A 81 81 GLU N N 81 121.000 121.908 -0.908 1
1 907 . 19 1 1 A 82 82 LEU H H 82 7.870 8.410 -0.540 1
1 908 . 19 1 1 A 82 82 LEU HA H 82 3.890 3.920 -0.030 1
1 918 . 19 1 1 A 82 82 LEU CA C 82 57.900 57.991 -0.091 1
1 919 . 19 1 1 A 82 82 LEU CB C 82 43.900 41.661 2.239 1
1 923 . 19 1 1 A 82 82 LEU N N 82 120.900 119.949 0.951 1
1 924 . 19 1 1 A 83 83 GLN H H 83 8.520 8.285 0.235 1
1 925 . 19 1 1 A 83 83 GLN HA H 83 3.900 3.851 0.049 1
1 932 . 19 1 1 A 83 83 GLN CA C 83 59.200 59.077 0.123 1
1 933 . 19 1 1 A 83 83 GLN CB C 83 28.300 28.448 -0.148 1
1 935 . 19 1 1 A 83 83 GLN N N 83 118.300 118.248 0.052 1
1 937 . 19 1 1 A 84 84 ASP H H 84 8.140 8.112 0.028 1
1 938 . 19 1 1 A 84 84 ASP HA H 84 4.340 4.355 -0.015 1
1 941 . 19 1 1 A 84 84 ASP CA C 84 57.100 57.767 -0.667 1
1 942 . 19 1 1 A 84 84 ASP CB C 84 41.000 42.180 -1.180 1
1 943 . 19 1 1 A 84 84 ASP N N 84 119.700 119.650 0.050 1
1 944 . 19 1 1 A 85 85 ALA H H 85 7.740 8.344 -0.604 1
1 945 . 19 1 1 A 85 85 ALA HA H 85 3.810 3.864 -0.054 1
1 949 . 19 1 1 A 85 85 ALA CA C 85 54.600 55.318 -0.718 1
1 950 . 19 1 1 A 85 85 ALA CB C 85 16.200 17.782 -1.582 1
1 951 . 19 1 1 A 85 85 ALA N N 85 121.600 121.390 0.210 1
1 952 . 19 1 1 A 86 86 LYS H H 86 8.070 7.400 0.670 1
1 953 . 19 1 1 A 86 86 LYS HA H 86 3.810 4.119 -0.309 1
1 962 . 19 1 1 A 86 86 LYS CA C 86 60.600 59.163 1.437 1
1 963 . 19 1 1 A 86 86 LYS CB C 86 33.300 31.845 1.455 1
1 967 . 19 1 1 A 86 86 LYS N N 86 120.200 116.457 3.743 1
1 968 . 19 1 1 A 87 87 LEU H H 87 7.780 8.209 -0.429 1
1 969 . 19 1 1 A 87 87 LEU HA H 87 4.160 3.994 0.166 1
1 979 . 19 1 1 A 87 87 LEU CA C 87 57.500 58.141 -0.641 1
1 980 . 19 1 1 A 87 87 LEU CB C 87 41.900 41.692 0.208 1
1 984 . 19 1 1 A 87 87 LEU N N 87 118.400 121.058 -2.658 1
1 985 . 19 1 1 A 88 88 LYS H H 88 7.900 8.146 -0.246 1
1 986 . 19 1 1 A 88 88 LYS HA H 88 3.960 4.032 -0.072 1
1 995 . 19 1 1 A 88 88 LYS CA C 88 59.200 58.940 0.260 1
1 996 . 19 1 1 A 88 88 LYS CB C 88 32.000 31.703 0.297 1
1 1000 . 19 1 1 A 88 88 LYS N N 88 118.700 117.418 1.282 1
1 1001 . 19 1 1 A 89 89 ALA H H 89 8.000 8.043 -0.043 1
1 1002 . 19 1 1 A 89 89 ALA HA H 89 4.150 4.098 0.052 1
1 1006 . 19 1 1 A 89 89 ALA CA C 89 54.500 55.182 -0.682 1
1 1007 . 19 1 1 A 89 89 ALA CB C 89 17.800 18.293 -0.493 1
1 1008 . 19 1 1 A 89 89 ALA N N 89 122.400 122.140 0.260 1
1 1009 . 19 1 1 A 90 90 GLU H H 90 8.300 8.412 -0.112 1
1 1010 . 19 1 1 A 90 90 GLU HA H 90 3.930 3.844 0.086 1
1 1015 . 19 1 1 A 90 90 GLU CA C 90 58.000 59.168 -1.168 1
1 1016 . 19 1 1 A 90 90 GLU CB C 90 29.700 29.294 0.406 1
1 1018 . 19 1 1 A 90 90 GLU N N 90 116.700 117.890 -1.190 1
1 1019 . 19 1 1 A 91 91 GLY H H 91 7.710 7.954 -0.244 1
1 1020 . 19 1 1 A 91 91 GLY HA2 H 91 4.070 3.968 0.102 1
1 1021 . 19 1 1 A 91 91 GLY HA3 H 91 3.870 3.991 -0.121 1
1 1022 . 19 1 1 A 91 91 GLY CA C 91 45.500 45.608 -0.108 1
1 1023 . 19 1 1 A 91 91 GLY N N 91 106.000 109.471 -3.471 1
1 1024 . 19 1 1 A 92 92 LEU H H 92 7.640 7.519 0.121 1
1 1025 . 19 1 1 A 92 92 LEU HA H 92 4.270 3.978 0.292 1
1 1035 . 19 1 1 A 92 92 LEU CA C 92 55.200 58.052 -2.852 1
1 1036 . 19 1 1 A 92 92 LEU CB C 92 42.100 41.746 0.354 1
1 1040 . 19 1 1 A 92 92 LEU N N 92 121.200 121.732 -0.532 1
1 1041 . 19 1 1 A 93 93 GLU H H 93 8.290 7.890 0.400 1
1 1042 . 19 1 1 A 93 93 GLU HA H 93 4.130 4.198 -0.068 1
1 1047 . 19 1 1 A 93 93 GLU CA C 93 56.700 56.078 0.622 1
1 1048 . 19 1 1 A 93 93 GLU CB C 93 29.700 29.526 0.174 1
1 1050 . 19 1 1 A 93 93 GLU N N 93 120.200 115.596 4.604 1
1 1051 . 19 1 1 A 94 94 HIS H H 94 8.260 7.982 0.278 1
1 1052 . 19 1 1 A 94 94 HIS HA H 94 4.560 4.859 -0.299 1
1 1055 . 19 1 1 A 94 94 HIS CA C 94 55.400 55.377 0.023 1
1 1056 . 19 1 1 A 94 94 HIS CB C 94 29.700 30.926 -1.226 1
1 1057 . 19 1 1 A 94 94 HIS N N 94 118.900 119.996 -1.096 1
1 1058 . 19 1 1 A 95 95 HIS H H 95 8.170 9.061 -0.891 1
1 1059 . 19 1 1 A 95 95 HIS HA H 95 4.410 4.202 0.208 1
1 1062 . 19 1 1 A 95 95 HIS CA C 95 57.000 58.836 -1.836 1
1 1063 . 19 1 1 A 95 95 HIS CB C 95 30.000 28.314 1.686 1
1 9 . 20 1 1 A 2 2 ASP H H 2 8.560 7.517 1.043 1
1 10 . 20 1 1 A 2 2 ASP HA H 2 4.850 4.792 0.058 1
1 13 . 20 1 1 A 2 2 ASP CA C 2 52.200 53.090 -0.890 1
1 14 . 20 1 1 A 2 2 ASP CB C 2 40.900 39.682 1.218 1
1 15 . 20 1 1 A 2 2 ASP N N 2 123.000 120.759 2.241 1
1 16 . 20 1 1 A 3 3 PRO HA H 3 4.380 4.251 0.129 1
1 23 . 20 1 1 A 3 3 PRO CA C 3 63.500 64.578 -1.078 1
1 24 . 20 1 1 A 3 3 PRO CB C 3 32.100 31.876 0.224 1
1 27 . 20 1 1 A 4 4 GLU H H 4 8.410 8.517 -0.107 1
1 28 . 20 1 1 A 4 4 GLU HA H 4 4.250 4.108 0.142 1
1 33 . 20 1 1 A 4 4 GLU CA C 4 55.900 57.951 -2.051 1
1 34 . 20 1 1 A 4 4 GLU CB C 4 30.100 29.977 0.123 1
1 36 . 20 1 1 A 4 4 GLU N N 4 118.300 117.053 1.247 1
1 37 . 20 1 1 A 5 5 ASP H H 5 8.030 7.602 0.428 1
1 38 . 20 1 1 A 5 5 ASP HA H 5 4.730 4.731 -0.001 1
1 41 . 20 1 1 A 5 5 ASP CA C 5 52.600 52.469 0.131 1
1 42 . 20 1 1 A 5 5 ASP CB C 5 41.700 40.712 0.988 1
1 43 . 20 1 1 A 5 5 ASP N N 5 123.700 120.672 3.028 1
1 44 . 20 1 1 A 6 6 PRO HA H 6 3.940 4.244 -0.304 1
1 51 . 20 1 1 A 6 6 PRO CA C 6 64.900 65.575 -0.675 1
1 52 . 20 1 1 A 6 6 PRO CB C 6 31.000 31.373 -0.373 1
1 55 . 20 1 1 A 7 7 PHE H H 7 8.130 7.730 0.400 1
1 56 . 20 1 1 A 7 7 PHE HA H 7 4.220 4.063 0.157 1
1 64 . 20 1 1 A 7 7 PHE CA C 7 60.800 61.608 -0.808 1
1 65 . 20 1 1 A 7 7 PHE CB C 7 38.300 39.501 -1.201 1
1 69 . 20 1 1 A 7 7 PHE N N 7 117.200 118.447 -1.247 1
1 70 . 20 1 1 A 8 8 THR H H 8 7.830 8.117 -0.287 1
1 71 . 20 1 1 A 8 8 THR HA H 8 3.710 3.850 -0.140 1
1 76 . 20 1 1 A 8 8 THR CA C 8 66.200 66.880 -0.680 1
1 77 . 20 1 1 A 8 8 THR CB C 8 68.300 68.760 -0.460 1
1 79 . 20 1 1 A 8 8 THR N N 8 115.700 115.381 0.319 1
1 80 . 20 1 1 A 9 9 ARG H H 9 7.300 8.390 -1.090 1
1 81 . 20 1 1 A 9 9 ARG HA H 9 3.840 3.991 -0.151 1
1 89 . 20 1 1 A 9 9 ARG CA C 9 59.700 58.760 0.940 1
1 90 . 20 1 1 A 9 9 ARG CB C 9 30.400 30.145 0.255 1
1 93 . 20 1 1 A 9 9 ARG N N 9 121.400 120.156 1.244 1
1 95 . 20 1 1 A 10 10 TYR H H 10 8.480 8.394 0.086 1
1 96 . 20 1 1 A 10 10 TYR HA H 10 3.800 4.084 -0.284 1
1 103 . 20 1 1 A 10 10 TYR CA C 10 61.400 61.819 -0.419 1
1 104 . 20 1 1 A 10 10 TYR CB C 10 38.300 38.572 -0.272 1
1 107 . 20 1 1 A 10 10 TYR N N 10 121.700 121.591 0.109 1
1 108 . 20 1 1 A 11 11 ALA H H 11 8.500 8.192 0.308 1
1 109 . 20 1 1 A 11 11 ALA HA H 11 3.700 3.732 -0.032 1
1 113 . 20 1 1 A 11 11 ALA CA C 11 54.400 54.942 -0.542 1
1 114 . 20 1 1 A 11 11 ALA CB C 11 17.300 18.141 -0.841 1
1 115 . 20 1 1 A 11 11 ALA N N 11 121.700 121.603 0.097 1
1 116 . 20 1 1 A 12 12 LEU H H 12 7.690 8.107 -0.417 1
1 117 . 20 1 1 A 12 12 LEU HA H 12 3.920 3.804 0.116 1
1 127 . 20 1 1 A 12 12 LEU CA C 12 57.100 57.853 -0.753 1
1 128 . 20 1 1 A 12 12 LEU CB C 12 41.500 41.292 0.208 1
1 132 . 20 1 1 A 12 12 LEU N N 12 120.900 118.186 2.714 1
1 133 . 20 1 1 A 13 13 ALA H H 13 8.010 7.808 0.202 1
1 134 . 20 1 1 A 13 13 ALA HA H 13 3.500 3.898 -0.398 1
1 138 . 20 1 1 A 13 13 ALA CA C 13 55.400 55.475 -0.075 1
1 139 . 20 1 1 A 13 13 ALA CB C 13 17.400 17.449 -0.049 1
1 140 . 20 1 1 A 13 13 ALA N N 13 123.000 121.687 1.313 1
1 141 . 20 1 1 A 14 14 GLN H H 14 7.660 7.777 -0.117 1
1 142 . 20 1 1 A 14 14 GLN HA H 14 3.910 4.030 -0.120 1
1 149 . 20 1 1 A 14 14 GLN CA C 14 58.200 58.724 -0.524 1
1 150 . 20 1 1 A 14 14 GLN CB C 14 27.700 28.455 -0.755 1
1 152 . 20 1 1 A 14 14 GLN N N 14 114.000 116.918 -2.918 1
1 154 . 20 1 1 A 15 15 GLU H H 15 7.900 8.019 -0.119 1
1 155 . 20 1 1 A 15 15 GLU HA H 15 3.900 4.027 -0.127 1
1 160 . 20 1 1 A 15 15 GLU CA C 15 58.800 59.280 -0.480 1
1 161 . 20 1 1 A 15 15 GLU CB C 15 28.600 29.485 -0.885 1
1 163 . 20 1 1 A 15 15 GLU N N 15 122.400 120.993 1.407 1
1 164 . 20 1 1 A 16 16 HIS H H 16 8.220 7.650 0.570 1
1 165 . 20 1 1 A 16 16 HIS HA H 16 4.520 4.412 0.108 1
1 170 . 20 1 1 A 16 16 HIS CA C 16 59.700 59.741 -0.041 1
1 171 . 20 1 1 A 16 16 HIS CB C 16 29.600 30.030 -0.430 1
1 174 . 20 1 1 A 16 16 HIS N N 16 119.100 119.033 0.067 1
1 175 . 20 1 1 A 17 17 LEU H H 17 8.090 8.140 -0.050 1
1 176 . 20 1 1 A 17 17 LEU HA H 17 3.870 3.936 -0.066 1
1 186 . 20 1 1 A 17 17 LEU CA C 17 57.900 57.687 0.213 1
1 187 . 20 1 1 A 17 17 LEU CB C 17 41.400 41.071 0.329 1
1 191 . 20 1 1 A 17 17 LEU N N 17 120.500 119.326 1.174 1
1 192 . 20 1 1 A 18 18 LYS H H 18 7.960 7.570 0.390 1
1 193 . 20 1 1 A 18 18 LYS HA H 18 4.030 4.182 -0.152 1
1 202 . 20 1 1 A 18 18 LYS CA C 18 58.400 58.316 0.084 1
1 203 . 20 1 1 A 18 18 LYS CB C 18 31.800 32.670 -0.870 1
1 207 . 20 1 1 A 18 18 LYS N N 18 121.000 117.723 3.277 1
1 208 . 20 1 1 A 19 19 HIS H H 19 7.410 7.679 -0.269 1
1 209 . 20 1 1 A 19 19 HIS HA H 19 4.720 4.670 0.050 1
1 213 . 20 1 1 A 19 19 HIS CA C 19 54.700 55.500 -0.800 1
1 214 . 20 1 1 A 19 19 HIS CB C 19 28.500 29.831 -1.331 1
1 216 . 20 1 1 A 19 19 HIS N N 19 115.800 116.086 -0.286 1
1 217 . 20 1 1 A 20 20 ASP H H 20 8.010 8.251 -0.241 1
1 218 . 20 1 1 A 20 20 ASP HA H 20 4.370 4.205 0.165 1
1 221 . 20 1 1 A 20 20 ASP CA C 20 55.600 55.571 0.029 1
1 222 . 20 1 1 A 20 20 ASP CB C 20 39.600 40.643 -1.043 1
1 223 . 20 1 1 A 20 20 ASP N N 20 115.900 118.059 -2.159 1
1 224 . 20 1 1 A 21 21 ASN H H 21 8.450 8.278 0.172 1
1 225 . 20 1 1 A 21 21 ASN HA H 21 5.130 4.987 0.143 1
1 230 . 20 1 1 A 21 21 ASN CA C 21 50.600 52.086 -1.486 1
1 231 . 20 1 1 A 21 21 ASN CB C 21 37.000 36.481 0.519 1
1 232 . 20 1 1 A 21 21 ASN N N 21 118.700 118.475 0.225 1
1 234 . 20 1 1 A 22 22 ALA H H 22 8.010 8.274 -0.264 1
1 235 . 20 1 1 A 22 22 ALA HA H 22 3.840 4.020 -0.180 1
1 239 . 20 1 1 A 22 22 ALA CA C 22 55.300 55.096 0.204 1
1 240 . 20 1 1 A 22 22 ALA CB C 22 18.300 18.236 0.064 1
1 241 . 20 1 1 A 22 22 ALA N N 22 123.300 124.709 -1.409 1
1 242 . 20 1 1 A 23 23 SER H H 23 8.670 8.119 0.551 1
1 243 . 20 1 1 A 23 23 SER HA H 23 4.070 4.184 -0.114 1
1 246 . 20 1 1 A 23 23 SER CA C 23 61.800 60.465 1.335 1
1 247 . 20 1 1 A 23 23 SER CB C 23 61.900 62.913 -1.013 1
1 248 . 20 1 1 A 23 23 SER N N 23 112.500 113.523 -1.023 1
1 249 . 20 1 1 A 24 24 ARG H H 24 7.230 7.865 -0.635 1
1 250 . 20 1 1 A 24 24 ARG HA H 24 3.960 3.913 0.047 1
1 257 . 20 1 1 A 24 24 ARG CA C 24 57.000 59.433 -2.433 1
1 258 . 20 1 1 A 24 24 ARG CB C 24 29.100 30.056 -0.956 1
1 261 . 20 1 1 A 24 24 ARG N N 24 122.300 121.580 0.720 1
1 262 . 20 1 1 A 25 25 ALA H H 25 7.340 7.833 -0.493 1
1 263 . 20 1 1 A 25 25 ALA HA H 25 3.570 3.962 -0.392 1
1 267 . 20 1 1 A 25 25 ALA CA C 25 55.300 54.937 0.363 1
1 268 . 20 1 1 A 25 25 ALA CB C 25 18.700 18.081 0.619 1
1 269 . 20 1 1 A 25 25 ALA N N 25 120.200 121.476 -1.276 1
1 270 . 20 1 1 A 26 26 LEU H H 26 8.420 8.255 0.165 1
1 271 . 20 1 1 A 26 26 LEU HA H 26 3.800 4.162 -0.362 1
1 281 . 20 1 1 A 26 26 LEU CA C 26 58.300 57.782 0.518 1
1 282 . 20 1 1 A 26 26 LEU CB C 26 41.800 41.445 0.355 1
1 286 . 20 1 1 A 26 26 LEU N N 26 116.500 120.504 -4.004 1
1 287 . 20 1 1 A 27 27 ALA H H 27 7.190 8.258 -1.068 1
1 288 . 20 1 1 A 27 27 ALA HA H 27 4.120 4.039 0.081 1
1 292 . 20 1 1 A 27 27 ALA CA C 27 54.700 55.163 -0.463 1
1 293 . 20 1 1 A 27 27 ALA CB C 27 18.000 18.096 -0.096 1
1 294 . 20 1 1 A 27 27 ALA N N 27 118.200 120.914 -2.714 1
1 295 . 20 1 1 A 28 28 LEU H H 28 7.500 7.845 -0.345 1
1 296 . 20 1 1 A 28 28 LEU HA H 28 4.070 3.883 0.187 1
1 306 . 20 1 1 A 28 28 LEU CA C 28 57.600 57.149 0.451 1
1 307 . 20 1 1 A 28 28 LEU CB C 28 43.100 42.512 0.588 1
1 311 . 20 1 1 A 28 28 LEU N N 28 118.300 119.296 -0.996 1
1 312 . 20 1 1 A 29 29 PHE H H 29 8.690 8.434 0.256 1
1 313 . 20 1 1 A 29 29 PHE HA H 29 4.630 4.415 0.215 1
1 321 . 20 1 1 A 29 29 PHE CA C 29 58.700 60.461 -1.761 1
1 322 . 20 1 1 A 29 29 PHE CB C 29 40.300 38.430 1.870 1
1 326 . 20 1 1 A 29 29 PHE N N 29 119.000 117.489 1.511 1
1 327 . 20 1 1 A 30 30 GLU H H 30 8.990 8.449 0.541 1
1 328 . 20 1 1 A 30 30 GLU HA H 30 3.790 3.966 -0.176 1
1 333 . 20 1 1 A 30 30 GLU CA C 30 60.100 59.827 0.273 1
1 334 . 20 1 1 A 30 30 GLU CB C 30 29.100 29.189 -0.089 1
1 336 . 20 1 1 A 30 30 GLU N N 30 117.400 118.756 -1.356 1
1 337 . 20 1 1 A 31 31 GLU H H 31 7.830 8.116 -0.286 1
1 338 . 20 1 1 A 31 31 GLU HA H 31 4.160 4.193 -0.033 1
1 343 . 20 1 1 A 31 31 GLU CA C 31 58.800 58.983 -0.183 1
1 344 . 20 1 1 A 31 31 GLU CB C 31 29.900 29.555 0.345 1
1 346 . 20 1 1 A 31 31 GLU N N 31 119.500 119.605 -0.105 1
1 347 . 20 1 1 A 32 32 LEU H H 32 7.920 8.439 -0.519 1
1 348 . 20 1 1 A 32 32 LEU HA H 32 4.130 4.133 -0.003 1
1 358 . 20 1 1 A 32 32 LEU CA C 32 58.200 58.185 0.015 1
1 359 . 20 1 1 A 32 32 LEU CB C 32 43.000 41.530 1.470 1
1 363 . 20 1 1 A 32 32 LEU N N 32 122.000 120.238 1.762 1
1 364 . 20 1 1 A 33 33 VAL H H 33 7.460 7.852 -0.392 1
1 365 . 20 1 1 A 33 33 VAL HA H 33 3.590 3.358 0.232 1
1 373 . 20 1 1 A 33 33 VAL CA C 33 65.800 66.918 -1.118 1
1 374 . 20 1 1 A 33 33 VAL CB C 33 31.500 31.199 0.301 1
1 377 . 20 1 1 A 33 33 VAL N N 33 116.000 119.793 -3.793 1
1 378 . 20 1 1 A 34 34 GLU H H 34 7.210 8.076 -0.866 1
1 379 . 20 1 1 A 34 34 GLU HA H 34 4.130 4.145 -0.015 1
1 384 . 20 1 1 A 34 34 GLU CA C 34 58.500 58.988 -0.488 1
1 385 . 20 1 1 A 34 34 GLU CB C 34 29.900 29.192 0.708 1
1 387 . 20 1 1 A 34 34 GLU N N 34 117.400 119.349 -1.949 1
1 388 . 20 1 1 A 35 35 THR H H 35 9.100 7.898 1.202 1
1 389 . 20 1 1 A 35 35 THR HA H 35 4.180 4.388 -0.208 1
1 394 . 20 1 1 A 35 35 THR CA C 35 63.900 63.492 0.408 1
1 395 . 20 1 1 A 35 35 THR CB C 35 69.300 69.515 -0.215 1
1 397 . 20 1 1 A 35 35 THR N N 35 109.900 111.673 -1.773 1
1 398 . 20 1 1 A 36 36 ASP H H 36 8.630 8.088 0.542 1
1 399 . 20 1 1 A 36 36 ASP HA H 36 5.300 5.144 0.156 1
1 402 . 20 1 1 A 36 36 ASP CA C 36 52.700 51.656 1.044 1
1 403 . 20 1 1 A 36 36 ASP CB C 36 42.400 41.539 0.861 1
1 404 . 20 1 1 A 36 36 ASP N N 36 122.800 120.613 2.187 1
1 405 . 20 1 1 A 37 37 PRO HA H 37 4.560 4.663 -0.103 1
1 412 . 20 1 1 A 37 37 PRO CA C 37 64.400 64.448 -0.048 1
1 413 . 20 1 1 A 37 37 PRO CB C 37 31.100 32.098 -0.998 1
1 416 . 20 1 1 A 38 38 ASP H H 38 8.630 8.668 -0.038 1
1 417 . 20 1 1 A 38 38 ASP HA H 38 4.570 4.678 -0.108 1
1 420 . 20 1 1 A 38 38 ASP CA C 38 53.800 55.247 -1.447 1
1 421 . 20 1 1 A 38 38 ASP CB C 38 39.500 41.703 -2.203 1
1 422 . 20 1 1 A 38 38 ASP N N 38 113.700 117.525 -3.825 1
1 423 . 20 1 1 A 39 39 TYR H H 39 8.110 7.792 0.318 1
1 424 . 20 1 1 A 39 39 TYR HA H 39 4.540 4.755 -0.215 1
1 431 . 20 1 1 A 39 39 TYR CA C 39 58.500 56.428 2.072 1
1 432 . 20 1 1 A 39 39 TYR CB C 39 36.500 37.901 -1.401 1
1 435 . 20 1 1 A 39 39 TYR N N 39 123.700 121.949 1.751 1
1 436 . 20 1 1 A 40 40 VAL H H 40 7.880 7.839 0.041 1
1 437 . 20 1 1 A 40 40 VAL HA H 40 3.770 3.873 -0.103 1
1 445 . 20 1 1 A 40 40 VAL CA C 40 65.000 66.380 -1.380 1
1 446 . 20 1 1 A 40 40 VAL CB C 40 32.500 31.599 0.901 1
1 449 . 20 1 1 A 40 40 VAL N N 40 128.100 125.872 2.228 1
1 450 . 20 1 1 A 41 41 GLY H H 41 7.530 7.858 -0.328 1
1 451 . 20 1 1 A 41 41 GLY HA2 H 41 3.410 3.419 -0.009 1
1 452 . 20 1 1 A 41 41 GLY HA3 H 41 3.880 3.859 0.021 1
1 453 . 20 1 1 A 41 41 GLY CA C 41 46.400 46.884 -0.484 1
1 454 . 20 1 1 A 41 41 GLY N N 41 105.900 108.347 -2.447 1
1 455 . 20 1 1 A 42 42 THR H H 42 7.150 7.315 -0.165 1
1 456 . 20 1 1 A 42 42 THR HA H 42 3.580 4.358 -0.778 1
1 462 . 20 1 1 A 42 42 THR CA C 42 65.600 66.818 -1.218 1
1 463 . 20 1 1 A 42 42 THR CB C 42 68.900 68.689 0.211 1
1 465 . 20 1 1 A 42 42 THR N N 42 111.900 118.056 -6.156 1
1 466 . 20 1 1 A 43 43 TYR H H 43 7.040 8.132 -1.092 1
1 467 . 20 1 1 A 43 43 TYR HA H 43 3.460 4.289 -0.829 1
1 474 . 20 1 1 A 43 43 TYR CA C 43 64.100 60.606 3.494 1
1 475 . 20 1 1 A 43 43 TYR CB C 43 38.300 38.544 -0.244 1
1 478 . 20 1 1 A 43 43 TYR N N 43 113.500 120.675 -7.175 1
1 479 . 20 1 1 A 44 44 TYR H H 44 9.770 7.953 1.817 1
1 480 . 20 1 1 A 44 44 TYR HA H 44 3.990 4.513 -0.523 1
1 487 . 20 1 1 A 44 44 TYR CA C 44 61.900 62.037 -0.137 1
1 488 . 20 1 1 A 44 44 TYR CB C 44 38.800 38.996 -0.196 1
1 491 . 20 1 1 A 44 44 TYR N N 44 119.800 120.726 -0.926 1
1 492 . 20 1 1 A 45 45 HIS H H 45 6.380 8.138 -1.758 1
1 493 . 20 1 1 A 45 45 HIS HA H 45 3.770 4.229 -0.459 1
1 498 . 20 1 1 A 45 45 HIS CA C 45 58.500 59.555 -1.055 1
1 499 . 20 1 1 A 45 45 HIS CB C 45 31.600 30.223 1.377 1
1 502 . 20 1 1 A 45 45 HIS N N 45 114.500 117.013 -2.513 1
1 503 . 20 1 1 A 46 46 LEU H H 46 8.360 8.443 -0.083 1
1 504 . 20 1 1 A 46 46 LEU HA H 46 3.660 3.300 0.360 1
1 514 . 20 1 1 A 46 46 LEU CA C 46 57.100 57.605 -0.505 1
1 515 . 20 1 1 A 46 46 LEU CB C 46 40.800 41.739 -0.939 1
1 519 . 20 1 1 A 46 46 LEU N N 46 121.100 120.515 0.585 1
1 520 . 20 1 1 A 47 47 GLY H H 47 8.440 8.083 0.357 1
1 521 . 20 1 1 A 47 47 GLY HA2 H 47 3.350 3.055 0.295 1
1 522 . 20 1 1 A 47 47 GLY HA3 H 47 3.530 3.722 -0.192 1
1 523 . 20 1 1 A 47 47 GLY CA C 47 47.200 46.836 0.364 1
1 524 . 20 1 1 A 47 47 GLY N N 47 106.500 106.122 0.378 1
1 525 . 20 1 1 A 48 48 LYS H H 48 7.970 7.744 0.226 1
1 526 . 20 1 1 A 48 48 LYS HA H 48 3.800 3.949 -0.149 1
1 535 . 20 1 1 A 48 48 LYS CA C 48 58.200 59.397 -1.197 1
1 536 . 20 1 1 A 48 48 LYS CB C 48 31.600 32.185 -0.585 1
1 540 . 20 1 1 A 48 48 LYS N N 48 120.500 121.999 -1.499 1
1 541 . 20 1 1 A 49 49 LEU H H 49 7.800 7.626 0.174 1
1 542 . 20 1 1 A 49 49 LEU HA H 49 4.170 3.904 0.266 1
1 552 . 20 1 1 A 49 49 LEU CA C 49 57.500 57.531 -0.031 1
1 553 . 20 1 1 A 49 49 LEU CB C 49 41.000 41.674 -0.674 1
1 557 . 20 1 1 A 49 49 LEU N N 49 124.000 120.592 3.408 1
1 558 . 20 1 1 A 50 50 TYR H H 50 8.610 8.038 0.572 1
1 559 . 20 1 1 A 50 50 TYR HA H 50 4.420 4.308 0.112 1
1 566 . 20 1 1 A 50 50 TYR CA C 50 59.600 60.945 -1.345 1
1 567 . 20 1 1 A 50 50 TYR CB C 50 35.600 37.961 -2.361 1
1 570 . 20 1 1 A 50 50 TYR N N 50 119.000 118.708 0.292 1
1 571 . 20 1 1 A 51 51 GLU H H 51 8.410 8.475 -0.065 1
1 572 . 20 1 1 A 51 51 GLU HA H 51 3.760 3.912 -0.152 1
1 577 . 20 1 1 A 51 51 GLU CA C 51 61.600 60.005 1.595 1
1 578 . 20 1 1 A 51 51 GLU CB C 51 29.800 29.371 0.429 1
1 580 . 20 1 1 A 51 51 GLU N N 51 118.600 118.501 0.099 1
1 581 . 20 1 1 A 52 52 ARG H H 52 7.910 7.925 -0.015 1
1 582 . 20 1 1 A 52 52 ARG HA H 52 4.150 4.101 0.049 1
1 589 . 20 1 1 A 52 52 ARG CA C 52 58.600 58.715 -0.115 1
1 590 . 20 1 1 A 52 52 ARG CB C 52 29.600 30.328 -0.728 1
1 593 . 20 1 1 A 52 52 ARG N N 52 122.200 120.607 1.593 1
1 594 . 20 1 1 A 53 53 LEU H H 53 7.740 7.717 0.023 1
1 595 . 20 1 1 A 53 53 LEU HA H 53 4.400 4.373 0.027 1
1 605 . 20 1 1 A 53 53 LEU CA C 53 54.100 54.659 -0.559 1
1 606 . 20 1 1 A 53 53 LEU CB C 53 41.400 41.892 -0.492 1
1 610 . 20 1 1 A 53 53 LEU N N 53 119.400 117.851 1.549 1
1 611 . 20 1 1 A 54 54 ASP H H 54 8.090 8.058 0.032 1
1 612 . 20 1 1 A 54 54 ASP HA H 54 4.410 4.241 0.169 1
1 615 . 20 1 1 A 54 54 ASP CA C 54 55.500 55.555 -0.055 1
1 616 . 20 1 1 A 54 54 ASP CB C 54 38.900 40.623 -1.723 1
1 617 . 20 1 1 A 54 54 ASP N N 54 116.300 118.502 -2.202 1
1 618 . 20 1 1 A 55 55 ARG H H 55 8.420 8.520 -0.100 1
1 619 . 20 1 1 A 55 55 ARG HA H 55 4.680 4.615 0.065 1
1 627 . 20 1 1 A 55 55 ARG CA C 55 54.000 54.525 -0.525 1
1 628 . 20 1 1 A 55 55 ARG CB C 55 29.800 28.159 1.641 1
1 631 . 20 1 1 A 55 55 ARG N N 55 120.800 119.877 0.923 1
1 633 . 20 1 1 A 56 56 THR H H 56 7.870 7.884 -0.014 1
1 634 . 20 1 1 A 56 56 THR HA H 56 3.510 3.754 -0.244 1
1 639 . 20 1 1 A 56 56 THR CA C 56 67.500 67.498 0.002 1
1 640 . 20 1 1 A 56 56 THR CB C 56 68.000 68.653 -0.653 1
1 642 . 20 1 1 A 56 56 THR N N 56 117.300 116.269 1.031 1
1 643 . 20 1 1 A 57 57 ASP H H 57 8.450 8.418 0.032 1
1 644 . 20 1 1 A 57 57 ASP HA H 57 4.260 4.288 -0.028 1
1 647 . 20 1 1 A 57 57 ASP CA C 57 57.900 57.806 0.094 1
1 648 . 20 1 1 A 57 57 ASP CB C 57 39.100 41.419 -2.319 1
1 649 . 20 1 1 A 57 57 ASP N N 57 120.300 121.473 -1.173 1
1 650 . 20 1 1 A 58 58 ASP H H 58 7.540 8.265 -0.725 1
1 651 . 20 1 1 A 58 58 ASP HA H 58 4.170 4.071 0.099 1
1 654 . 20 1 1 A 58 58 ASP CA C 58 56.900 56.899 0.001 1
1 655 . 20 1 1 A 58 58 ASP CB C 58 38.400 39.654 -1.254 1
1 656 . 20 1 1 A 58 58 ASP N N 58 120.200 119.334 0.866 1
1 657 . 20 1 1 A 59 59 ALA H H 59 8.110 7.493 0.617 1
1 658 . 20 1 1 A 59 59 ALA HA H 59 3.760 3.963 -0.203 1
1 662 . 20 1 1 A 59 59 ALA CA C 59 56.000 54.992 1.008 1
1 663 . 20 1 1 A 59 59 ALA CB C 59 19.200 18.357 0.843 1
1 664 . 20 1 1 A 59 59 ALA N N 59 124.700 121.654 3.046 1
1 665 . 20 1 1 A 60 60 ILE H H 60 8.230 7.863 0.367 1
1 666 . 20 1 1 A 60 60 ILE HA H 60 3.520 3.772 -0.252 1
1 676 . 20 1 1 A 60 60 ILE CA C 60 66.800 65.484 1.316 1
1 677 . 20 1 1 A 60 60 ILE CB C 60 38.400 37.785 0.615 1
1 681 . 20 1 1 A 60 60 ILE N N 60 117.600 118.592 -0.992 1
1 682 . 20 1 1 A 61 61 ASP H H 61 7.750 7.985 -0.235 1
1 683 . 20 1 1 A 61 61 ASP HA H 61 4.440 4.275 0.165 1
1 686 . 20 1 1 A 61 61 ASP CA C 61 57.100 57.367 -0.267 1
1 687 . 20 1 1 A 61 61 ASP CB C 61 40.500 41.564 -1.064 1
1 688 . 20 1 1 A 61 61 ASP N N 61 118.300 120.315 -2.015 1
1 689 . 20 1 1 A 62 62 THR H H 62 8.040 7.812 0.228 1
1 690 . 20 1 1 A 62 62 THR HA H 62 4.070 4.006 0.064 1
1 695 . 20 1 1 A 62 62 THR CA C 62 68.000 66.418 1.582 1
1 696 . 20 1 1 A 62 62 THR CB C 62 68.600 68.626 -0.026 1
1 698 . 20 1 1 A 62 62 THR N N 62 119.800 115.538 4.262 1
1 699 . 20 1 1 A 63 63 TYR H H 63 8.970 8.007 0.963 1
1 700 . 20 1 1 A 63 63 TYR HA H 63 4.480 4.552 -0.072 1
1 707 . 20 1 1 A 63 63 TYR CA C 63 59.200 60.391 -1.191 1
1 708 . 20 1 1 A 63 63 TYR CB C 63 37.700 37.365 0.335 1
1 711 . 20 1 1 A 63 63 TYR N N 63 121.700 120.757 0.943 1
1 712 . 20 1 1 A 64 64 ALA H H 64 8.690 8.374 0.316 1
1 713 . 20 1 1 A 64 64 ALA HA H 64 4.000 4.139 -0.139 1
1 717 . 20 1 1 A 64 64 ALA CA C 64 55.500 55.300 0.200 1
1 718 . 20 1 1 A 64 64 ALA CB C 64 17.800 18.290 -0.490 1
1 719 . 20 1 1 A 64 64 ALA N N 64 119.400 122.376 -2.976 1
1 720 . 20 1 1 A 65 65 GLN H H 65 8.100 8.164 -0.064 1
1 721 . 20 1 1 A 65 65 GLN HA H 65 4.010 3.954 0.056 1
1 728 . 20 1 1 A 65 65 GLN CA C 65 58.600 59.216 -0.616 1
1 729 . 20 1 1 A 65 65 GLN CB C 65 28.500 27.988 0.512 1
1 731 . 20 1 1 A 65 65 GLN N N 65 119.600 118.161 1.439 1
1 733 . 20 1 1 A 66 66 GLY H H 66 8.430 8.044 0.386 1
1 734 . 20 1 1 A 66 66 GLY HA2 H 66 3.080 2.656 0.424 1
1 735 . 20 1 1 A 66 66 GLY HA3 H 66 2.520 3.230 -0.710 1
1 736 . 20 1 1 A 66 66 GLY CA C 66 46.800 46.881 -0.081 1
1 737 . 20 1 1 A 66 66 GLY N N 66 108.200 106.589 1.611 1
1 738 . 20 1 1 A 67 67 ILE H H 67 8.570 8.243 0.327 1
1 739 . 20 1 1 A 67 67 ILE HA H 67 3.320 3.803 -0.483 1
1 749 . 20 1 1 A 67 67 ILE CA C 67 65.900 64.071 1.829 1
1 750 . 20 1 1 A 67 67 ILE CB C 67 38.400 37.353 1.047 1
1 754 . 20 1 1 A 67 67 ILE N N 67 123.500 122.522 0.978 1
1 755 . 20 1 1 A 68 68 GLU H H 68 7.030 7.522 -0.492 1
1 756 . 20 1 1 A 68 68 GLU HA H 68 3.960 4.006 -0.046 1
1 761 . 20 1 1 A 68 68 GLU CA C 68 58.700 59.497 -0.797 1
1 762 . 20 1 1 A 68 68 GLU CB C 68 28.500 29.433 -0.933 1
1 764 . 20 1 1 A 68 68 GLU N N 68 116.500 119.718 -3.218 1
1 765 . 20 1 1 A 69 69 VAL H H 69 7.440 7.349 0.091 1
1 766 . 20 1 1 A 69 69 VAL HA H 69 3.740 3.961 -0.221 1
1 774 . 20 1 1 A 69 69 VAL CA C 69 65.700 63.794 1.906 1
1 775 . 20 1 1 A 69 69 VAL CB C 69 32.000 31.562 0.438 1
1 778 . 20 1 1 A 69 69 VAL N N 69 119.500 116.180 3.320 1
1 779 . 20 1 1 A 70 70 ALA H H 70 9.290 8.279 1.011 1
1 780 . 20 1 1 A 70 70 ALA HA H 70 3.820 3.969 -0.149 1
1 784 . 20 1 1 A 70 70 ALA CA C 70 54.400 55.654 -1.254 1
1 785 . 20 1 1 A 70 70 ALA CB C 70 18.000 18.287 -0.287 1
1 786 . 20 1 1 A 70 70 ALA N N 70 122.500 124.051 -1.551 1
1 787 . 20 1 1 A 71 71 ARG H H 71 8.280 7.941 0.339 1
1 788 . 20 1 1 A 71 71 ARG HA H 71 3.870 4.028 -0.158 1
1 796 . 20 1 1 A 71 71 ARG CA C 71 59.500 59.012 0.488 1
1 797 . 20 1 1 A 71 71 ARG CB C 71 30.000 30.110 -0.110 1
1 800 . 20 1 1 A 71 71 ARG N N 71 116.900 117.116 -0.216 1
1 802 . 20 1 1 A 72 72 GLU H H 72 7.390 7.583 -0.193 1
1 803 . 20 1 1 A 72 72 GLU HA H 72 4.300 4.208 0.092 1
1 808 . 20 1 1 A 72 72 GLU CA C 72 57.700 58.631 -0.931 1
1 809 . 20 1 1 A 72 72 GLU CB C 72 30.500 30.204 0.296 1
1 811 . 20 1 1 A 72 72 GLU N N 72 116.800 118.689 -1.889 1
1 812 . 20 1 1 A 73 73 GLU H H 73 8.490 8.291 0.199 1
1 813 . 20 1 1 A 73 73 GLU HA H 73 4.550 4.112 0.438 1
1 818 . 20 1 1 A 73 73 GLU CA C 73 55.900 59.204 -3.304 1
1 819 . 20 1 1 A 73 73 GLU CB C 73 30.800 29.476 1.324 1
1 821 . 20 1 1 A 73 73 GLU N N 73 115.000 119.296 -4.296 1
1 822 . 20 1 1 A 74 74 GLY H H 74 8.070 7.614 0.456 1
1 823 . 20 1 1 A 74 74 GLY HA2 H 74 4.450 3.975 0.475 1
1 824 . 20 1 1 A 74 74 GLY HA3 H 74 3.830 3.984 -0.154 1
1 825 . 20 1 1 A 74 74 GLY CA C 74 44.600 44.758 -0.158 1
1 826 . 20 1 1 A 74 74 GLY N N 74 108.100 109.051 -0.951 1
1 827 . 20 1 1 A 75 75 THR H H 75 8.760 7.872 0.888 1
1 828 . 20 1 1 A 75 75 THR HA H 75 4.670 4.575 0.095 1
1 833 . 20 1 1 A 75 75 THR CA C 75 59.000 60.507 -1.507 1
1 834 . 20 1 1 A 75 75 THR CB C 75 70.900 69.928 0.972 1
1 836 . 20 1 1 A 75 75 THR N N 75 111.400 115.182 -3.782 1
1 837 . 20 1 1 A 76 76 GLN H H 76 8.710 8.788 -0.078 1
1 838 . 20 1 1 A 76 76 GLN HA H 76 3.940 3.958 -0.018 1
1 845 . 20 1 1 A 76 76 GLN CA C 76 58.700 59.040 -0.340 1
1 846 . 20 1 1 A 76 76 GLN CB C 76 27.900 28.209 -0.309 1
1 848 . 20 1 1 A 76 76 GLN N N 76 123.100 125.245 -2.145 1
1 850 . 20 1 1 A 77 77 LYS H H 77 8.240 8.291 -0.051 1
1 851 . 20 1 1 A 77 77 LYS HA H 77 4.000 4.018 -0.018 1
1 860 . 20 1 1 A 77 77 LYS CA C 77 59.200 59.638 -0.438 1
1 861 . 20 1 1 A 77 77 LYS CB C 77 31.900 32.305 -0.405 1
1 865 . 20 1 1 A 77 77 LYS N N 77 121.000 118.847 2.153 1
1 866 . 20 1 1 A 78 78 ASP H H 78 7.390 8.131 -0.741 1
1 867 . 20 1 1 A 78 78 ASP HA H 78 4.170 4.423 -0.253 1
1 870 . 20 1 1 A 78 78 ASP CA C 78 57.000 57.350 -0.350 1
1 871 . 20 1 1 A 78 78 ASP CB C 78 41.400 40.576 0.824 1
1 872 . 20 1 1 A 78 78 ASP N N 78 117.800 119.844 -2.044 1
1 873 . 20 1 1 A 79 79 LEU H H 79 7.690 7.977 -0.287 1
1 874 . 20 1 1 A 79 79 LEU HA H 79 3.770 4.068 -0.298 1
1 884 . 20 1 1 A 79 79 LEU CA C 79 58.100 57.779 0.321 1
1 885 . 20 1 1 A 79 79 LEU CB C 79 42.100 41.355 0.745 1
1 889 . 20 1 1 A 79 79 LEU N N 79 118.400 122.516 -4.116 1
1 890 . 20 1 1 A 80 80 SER H H 80 8.400 8.317 0.083 1
1 891 . 20 1 1 A 80 80 SER HA H 80 4.170 4.077 0.093 1
1 894 . 20 1 1 A 80 80 SER CA C 80 61.500 61.473 0.027 1
1 895 . 20 1 1 A 80 80 SER CB C 80 62.500 62.996 -0.496 1
1 896 . 20 1 1 A 80 80 SER N N 80 114.000 114.500 -0.500 1
1 897 . 20 1 1 A 81 81 GLU H H 81 7.930 7.621 0.309 1
1 898 . 20 1 1 A 81 81 GLU HA H 81 4.030 4.024 0.006 1
1 903 . 20 1 1 A 81 81 GLU CA C 81 59.000 59.135 -0.135 1
1 904 . 20 1 1 A 81 81 GLU CB C 81 29.000 29.013 -0.013 1
1 906 . 20 1 1 A 81 81 GLU N N 81 121.000 121.876 -0.876 1
1 907 . 20 1 1 A 82 82 LEU H H 82 7.870 8.118 -0.248 1
1 908 . 20 1 1 A 82 82 LEU HA H 82 3.890 4.035 -0.145 1
1 918 . 20 1 1 A 82 82 LEU CA C 82 57.900 57.881 0.019 1
1 919 . 20 1 1 A 82 82 LEU CB C 82 43.900 41.353 2.547 1
1 923 . 20 1 1 A 82 82 LEU N N 82 120.900 120.268 0.632 1
1 924 . 20 1 1 A 83 83 GLN H H 83 8.520 8.210 0.310 1
1 925 . 20 1 1 A 83 83 GLN HA H 83 3.900 3.874 0.026 1
1 932 . 20 1 1 A 83 83 GLN CA C 83 59.200 58.951 0.249 1
1 933 . 20 1 1 A 83 83 GLN CB C 83 28.300 28.239 0.061 1
1 935 . 20 1 1 A 83 83 GLN N N 83 118.300 118.076 0.224 1
1 937 . 20 1 1 A 84 84 ASP H H 84 8.140 8.490 -0.350 1
1 938 . 20 1 1 A 84 84 ASP HA H 84 4.340 4.293 0.047 1
1 941 . 20 1 1 A 84 84 ASP CA C 84 57.100 57.937 -0.837 1
1 942 . 20 1 1 A 84 84 ASP CB C 84 41.000 42.263 -1.263 1
1 943 . 20 1 1 A 84 84 ASP N N 84 119.700 120.006 -0.306 1
1 944 . 20 1 1 A 85 85 ALA H H 85 7.740 7.911 -0.171 1
1 945 . 20 1 1 A 85 85 ALA HA H 85 3.810 3.792 0.018 1
1 949 . 20 1 1 A 85 85 ALA CA C 85 54.600 55.053 -0.453 1
1 950 . 20 1 1 A 85 85 ALA CB C 85 16.200 17.651 -1.451 1
1 951 . 20 1 1 A 85 85 ALA N N 85 121.600 121.347 0.253 1
1 952 . 20 1 1 A 86 86 LYS H H 86 8.070 7.446 0.624 1
1 953 . 20 1 1 A 86 86 LYS HA H 86 3.810 4.110 -0.300 1
1 962 . 20 1 1 A 86 86 LYS CA C 86 60.600 59.120 1.480 1
1 963 . 20 1 1 A 86 86 LYS CB C 86 33.300 31.898 1.402 1
1 967 . 20 1 1 A 86 86 LYS N N 86 120.200 116.415 3.785 1
1 968 . 20 1 1 A 87 87 LEU H H 87 7.780 8.471 -0.691 1
1 969 . 20 1 1 A 87 87 LEU HA H 87 4.160 3.954 0.206 1
1 979 . 20 1 1 A 87 87 LEU CA C 87 57.500 58.225 -0.725 1
1 980 . 20 1 1 A 87 87 LEU CB C 87 41.900 41.597 0.303 1
1 984 . 20 1 1 A 87 87 LEU N N 87 118.400 121.232 -2.832 1
1 985 . 20 1 1 A 88 88 LYS H H 88 7.900 8.181 -0.281 1
1 986 . 20 1 1 A 88 88 LYS HA H 88 3.960 4.022 -0.062 1
1 995 . 20 1 1 A 88 88 LYS CA C 88 59.200 58.809 0.391 1
1 996 . 20 1 1 A 88 88 LYS CB C 88 32.000 31.920 0.080 1
1 1000 . 20 1 1 A 88 88 LYS N N 88 118.700 117.374 1.326 1
1 1001 . 20 1 1 A 89 89 ALA H H 89 8.000 8.153 -0.153 1
1 1002 . 20 1 1 A 89 89 ALA HA H 89 4.150 4.070 0.080 1
1 1006 . 20 1 1 A 89 89 ALA CA C 89 54.500 55.288 -0.788 1
1 1007 . 20 1 1 A 89 89 ALA CB C 89 17.800 18.249 -0.449 1
1 1008 . 20 1 1 A 89 89 ALA N N 89 122.400 121.889 0.511 1
1 1009 . 20 1 1 A 90 90 GLU H H 90 8.300 8.368 -0.068 1
1 1010 . 20 1 1 A 90 90 GLU HA H 90 3.930 4.328 -0.398 1
1 1015 . 20 1 1 A 90 90 GLU CA C 90 58.000 59.416 -1.416 1
1 1016 . 20 1 1 A 90 90 GLU CB C 90 29.700 29.033 0.667 1
1 1018 . 20 1 1 A 90 90 GLU N N 90 116.700 117.973 -1.273 1
1 1019 . 20 1 1 A 91 91 GLY H H 91 7.710 8.290 -0.580 1
1 1020 . 20 1 1 A 91 91 GLY HA2 H 91 4.070 3.947 0.123 1
1 1021 . 20 1 1 A 91 91 GLY HA3 H 91 3.870 3.948 -0.078 1
1 1022 . 20 1 1 A 91 91 GLY CA C 91 45.500 45.589 -0.089 1
1 1023 . 20 1 1 A 91 91 GLY N N 91 106.000 108.510 -2.510 1
1 1024 . 20 1 1 A 92 92 LEU H H 92 7.640 7.720 -0.080 1
1 1025 . 20 1 1 A 92 92 LEU HA H 92 4.270 3.952 0.318 1
1 1035 . 20 1 1 A 92 92 LEU CA C 92 55.200 57.876 -2.676 1
1 1036 . 20 1 1 A 92 92 LEU CB C 92 42.100 42.212 -0.112 1
1 1040 . 20 1 1 A 92 92 LEU N N 92 121.200 121.647 -0.447 1
1 1041 . 20 1 1 A 93 93 GLU H H 93 8.290 7.666 0.624 1
1 1042 . 20 1 1 A 93 93 GLU HA H 93 4.130 4.434 -0.304 1
1 1047 . 20 1 1 A 93 93 GLU CA C 93 56.700 55.124 1.576 1
1 1048 . 20 1 1 A 93 93 GLU CB C 93 29.700 30.142 -0.442 1
1 1050 . 20 1 1 A 93 93 GLU N N 93 120.200 112.677 7.523 1
1 1051 . 20 1 1 A 94 94 HIS H H 94 8.260 8.506 -0.246 1
1 1052 . 20 1 1 A 94 94 HIS HA H 94 4.560 4.449 0.111 1
1 1055 . 20 1 1 A 94 94 HIS CA C 94 55.400 56.911 -1.511 1
1 1056 . 20 1 1 A 94 94 HIS CB C 94 29.700 29.573 0.127 1
1 1057 . 20 1 1 A 94 94 HIS N N 94 118.900 119.761 -0.861 1
1 1058 . 20 1 1 A 95 95 HIS H H 95 8.170 8.777 -0.607 1
1 1059 . 20 1 1 A 95 95 HIS HA H 95 4.410 4.246 0.164 1
1 1062 . 20 1 1 A 95 95 HIS CA C 95 57.000 58.709 -1.709 1
1 1063 . 20 1 1 A 95 95 HIS CB C 95 30.000 29.887 0.113 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 94 1.108 1
3 1 1 1 "RMS(OBS, PRED)" CB 89 0.872 1
4 1 1 1 "RMS(OBS, PRED)" H 91 0.536 1
5 1 1 1 "RMS(OBS, PRED)" HA 99 0.259 1
6 1 1 1 "RMS(OBS, PRED)" N 90 2.366 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 94 1.100 1
9 1 2 1 "RMS(OBS, PRED)" CB 89 0.863 1
10 1 2 1 "RMS(OBS, PRED)" H 91 0.538 1
11 1 2 1 "RMS(OBS, PRED)" HA 99 0.260 1
12 1 2 1 "RMS(OBS, PRED)" N 90 2.287 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 94 1.159 1
15 1 3 1 "RMS(OBS, PRED)" CB 89 0.897 1
16 1 3 1 "RMS(OBS, PRED)" H 91 0.548 1
17 1 3 1 "RMS(OBS, PRED)" HA 99 0.237 1
18 1 3 1 "RMS(OBS, PRED)" N 90 2.330 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 94 1.042 1
21 1 4 1 "RMS(OBS, PRED)" CB 89 0.924 1
22 1 4 1 "RMS(OBS, PRED)" H 91 0.567 1
23 1 4 1 "RMS(OBS, PRED)" HA 99 0.250 1
24 1 4 1 "RMS(OBS, PRED)" N 90 2.297 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 94 1.068 1
27 1 5 1 "RMS(OBS, PRED)" CB 89 0.858 1
28 1 5 1 "RMS(OBS, PRED)" H 91 0.574 1
29 1 5 1 "RMS(OBS, PRED)" HA 99 0.225 1
30 1 5 1 "RMS(OBS, PRED)" N 90 2.302 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 94 1.111 1
33 1 6 1 "RMS(OBS, PRED)" CB 89 0.898 1
34 1 6 1 "RMS(OBS, PRED)" H 91 0.583 1
35 1 6 1 "RMS(OBS, PRED)" HA 99 0.240 1
36 1 6 1 "RMS(OBS, PRED)" N 90 2.245 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 94 1.094 1
39 1 7 1 "RMS(OBS, PRED)" CB 89 0.855 1
40 1 7 1 "RMS(OBS, PRED)" H 91 0.548 1
41 1 7 1 "RMS(OBS, PRED)" HA 99 0.260 1
42 1 7 1 "RMS(OBS, PRED)" N 90 2.288 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 94 1.113 1
45 1 8 1 "RMS(OBS, PRED)" CB 89 0.912 1
46 1 8 1 "RMS(OBS, PRED)" H 91 0.531 1
47 1 8 1 "RMS(OBS, PRED)" HA 99 0.219 1
48 1 8 1 "RMS(OBS, PRED)" N 90 2.362 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 94 1.102 1
51 1 9 1 "RMS(OBS, PRED)" CB 89 0.959 1
52 1 9 1 "RMS(OBS, PRED)" H 91 0.555 1
53 1 9 1 "RMS(OBS, PRED)" HA 99 0.254 1
54 1 9 1 "RMS(OBS, PRED)" N 90 2.399 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 94 1.059 1
57 1 10 1 "RMS(OBS, PRED)" CB 89 0.859 1
58 1 10 1 "RMS(OBS, PRED)" H 91 0.543 1
59 1 10 1 "RMS(OBS, PRED)" HA 99 0.264 1
60 1 10 1 "RMS(OBS, PRED)" N 90 2.335 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 94 1.085 1
63 1 11 1 "RMS(OBS, PRED)" CB 89 0.893 1
64 1 11 1 "RMS(OBS, PRED)" H 91 0.550 1
65 1 11 1 "RMS(OBS, PRED)" HA 99 0.262 1
66 1 11 1 "RMS(OBS, PRED)" N 90 2.354 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 94 1.160 1
69 1 12 1 "RMS(OBS, PRED)" CB 89 0.877 1
70 1 12 1 "RMS(OBS, PRED)" H 91 0.542 1
71 1 12 1 "RMS(OBS, PRED)" HA 99 0.243 1
72 1 12 1 "RMS(OBS, PRED)" N 90 2.332 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 94 1.104 1
75 1 13 1 "RMS(OBS, PRED)" CB 89 0.908 1
76 1 13 1 "RMS(OBS, PRED)" H 91 0.534 1
77 1 13 1 "RMS(OBS, PRED)" HA 99 0.267 1
78 1 13 1 "RMS(OBS, PRED)" N 90 2.406 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 94 1.051 1
81 1 14 1 "RMS(OBS, PRED)" CB 89 0.920 1
82 1 14 1 "RMS(OBS, PRED)" H 91 0.553 1
83 1 14 1 "RMS(OBS, PRED)" HA 99 0.231 1
84 1 14 1 "RMS(OBS, PRED)" N 90 2.369 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 94 1.131 1
87 1 15 1 "RMS(OBS, PRED)" CB 89 0.827 1
88 1 15 1 "RMS(OBS, PRED)" H 91 0.570 1
89 1 15 1 "RMS(OBS, PRED)" HA 99 0.243 1
90 1 15 1 "RMS(OBS, PRED)" N 90 2.380 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 94 1.143 1
93 1 16 1 "RMS(OBS, PRED)" CB 89 0.890 1
94 1 16 1 "RMS(OBS, PRED)" H 91 0.564 1
95 1 16 1 "RMS(OBS, PRED)" HA 99 0.259 1
96 1 16 1 "RMS(OBS, PRED)" N 90 2.386 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 94 1.009 1
99 1 17 1 "RMS(OBS, PRED)" CB 89 1.004 1
100 1 17 1 "RMS(OBS, PRED)" H 91 0.574 1
101 1 17 1 "RMS(OBS, PRED)" HA 99 0.230 1
102 1 17 1 "RMS(OBS, PRED)" N 90 2.298 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 94 1.113 1
105 1 18 1 "RMS(OBS, PRED)" CB 89 0.917 1
106 1 18 1 "RMS(OBS, PRED)" H 91 0.587 1
107 1 18 1 "RMS(OBS, PRED)" HA 99 0.248 1
108 1 18 1 "RMS(OBS, PRED)" N 90 2.475 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 94 1.111 1
111 1 19 1 "RMS(OBS, PRED)" CB 89 0.935 1
112 1 19 1 "RMS(OBS, PRED)" H 91 0.558 1
113 1 19 1 "RMS(OBS, PRED)" HA 99 0.243 1
114 1 19 1 "RMS(OBS, PRED)" N 90 2.300 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 94 1.089 1
117 1 20 1 "RMS(OBS, PRED)" CB 89 0.926 1
118 1 20 1 "RMS(OBS, PRED)" H 91 0.536 1
119 1 20 1 "RMS(OBS, PRED)" HA 99 0.231 1
120 1 20 1 "RMS(OBS, PRED)" N 90 2.376 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 ASP H H 2 8.560 8.211 0.349 2
1 10 . 1 1 A 2 2 ASP HA H 2 4.850 5.004 -0.154 2
1 13 . 1 1 A 2 2 ASP CA C 2 52.200 51.827 0.373 2
1 14 . 1 1 A 2 2 ASP CB C 2 40.900 40.994 -0.094 2
1 15 . 1 1 A 2 2 ASP N N 2 123.000 122.347 0.653 2
1 16 . 1 1 A 3 3 PRO HA H 3 4.380 4.281 0.099 2
1 23 . 1 1 A 3 3 PRO CA C 3 63.500 64.587 -1.087 2
1 24 . 1 1 A 3 3 PRO CB C 3 32.100 31.851 0.249 2
1 27 . 1 1 A 4 4 GLU H H 4 8.410 8.576 -0.166 2
1 28 . 1 1 A 4 4 GLU HA H 4 4.250 4.110 0.140 2
1 33 . 1 1 A 4 4 GLU CA C 4 55.900 58.472 -2.572 2
1 34 . 1 1 A 4 4 GLU CB C 4 30.100 29.754 0.346 2
1 36 . 1 1 A 4 4 GLU N N 4 118.300 117.345 0.955 2
1 37 . 1 1 A 5 5 ASP H H 5 8.030 7.631 0.399 2
1 38 . 1 1 A 5 5 ASP HA H 5 4.730 4.737 -0.006 2
1 41 . 1 1 A 5 5 ASP CA C 5 52.600 52.533 0.067 2
1 42 . 1 1 A 5 5 ASP CB C 5 41.700 40.677 1.023 2
1 43 . 1 1 A 5 5 ASP N N 5 123.700 120.452 3.248 2
1 44 . 1 1 A 6 6 PRO HA H 6 3.940 4.262 -0.322 2
1 51 . 1 1 A 6 6 PRO CA C 6 64.900 65.279 -0.379 2
1 52 . 1 1 A 6 6 PRO CB C 6 31.000 31.492 -0.492 2
1 55 . 1 1 A 7 7 PHE H H 7 8.130 7.697 0.433 2
1 56 . 1 1 A 7 7 PHE HA H 7 4.220 4.154 0.066 2
1 64 . 1 1 A 7 7 PHE CA C 7 60.800 61.552 -0.752 2
1 65 . 1 1 A 7 7 PHE CB C 7 38.300 39.387 -1.087 2
1 69 . 1 1 A 7 7 PHE N N 7 117.200 118.637 -1.437 2
1 70 . 1 1 A 8 8 THR H H 8 7.830 8.200 -0.370 2
1 71 . 1 1 A 8 8 THR HA H 8 3.710 3.905 -0.195 2
1 76 . 1 1 A 8 8 THR CA C 8 66.200 66.902 -0.702 2
1 77 . 1 1 A 8 8 THR CB C 8 68.300 68.712 -0.412 2
1 79 . 1 1 A 8 8 THR N N 8 115.700 115.348 0.352 2
1 80 . 1 1 A 9 9 ARG H H 9 7.300 8.336 -1.036 2
1 81 . 1 1 A 9 9 ARG HA H 9 3.840 4.001 -0.161 2
1 89 . 1 1 A 9 9 ARG CA C 9 59.700 58.692 1.008 2
1 90 . 1 1 A 9 9 ARG CB C 9 30.400 30.047 0.353 2
1 93 . 1 1 A 9 9 ARG N N 9 121.400 120.159 1.241 2
1 95 . 1 1 A 10 10 TYR H H 10 8.480 8.160 0.320 2
1 96 . 1 1 A 10 10 TYR HA H 10 3.800 4.062 -0.262 2
1 103 . 1 1 A 10 10 TYR CA C 10 61.400 61.559 -0.159 2
1 104 . 1 1 A 10 10 TYR CB C 10 38.300 38.613 -0.313 2
1 107 . 1 1 A 10 10 TYR N N 10 121.700 121.586 0.114 2
1 108 . 1 1 A 11 11 ALA H H 11 8.500 8.198 0.302 2
1 109 . 1 1 A 11 11 ALA HA H 11 3.700 3.724 -0.024 2
1 113 . 1 1 A 11 11 ALA CA C 11 54.400 54.957 -0.557 2
1 114 . 1 1 A 11 11 ALA CB C 11 17.300 17.813 -0.513 2
1 115 . 1 1 A 11 11 ALA N N 11 121.700 121.542 0.158 2
1 116 . 1 1 A 12 12 LEU H H 12 7.690 8.144 -0.454 2
1 117 . 1 1 A 12 12 LEU HA H 12 3.920 3.834 0.086 2
1 127 . 1 1 A 12 12 LEU CA C 12 57.100 57.796 -0.696 2
1 128 . 1 1 A 12 12 LEU CB C 12 41.500 41.188 0.312 2
1 132 . 1 1 A 12 12 LEU N N 12 120.900 118.374 2.526 2
1 133 . 1 1 A 13 13 ALA H H 13 8.010 8.023 -0.012 2
1 134 . 1 1 A 13 13 ALA HA H 13 3.500 3.945 -0.445 2
1 138 . 1 1 A 13 13 ALA CA C 13 55.400 55.360 0.040 2
1 139 . 1 1 A 13 13 ALA CB C 13 17.400 17.804 -0.404 2
1 140 . 1 1 A 13 13 ALA N N 13 123.000 121.700 1.300 2
1 141 . 1 1 A 14 14 GLN H H 14 7.660 7.731 -0.071 2
1 142 . 1 1 A 14 14 GLN HA H 14 3.910 4.026 -0.116 2
1 149 . 1 1 A 14 14 GLN CA C 14 58.200 58.728 -0.528 2
1 150 . 1 1 A 14 14 GLN CB C 14 27.700 28.301 -0.601 2
1 152 . 1 1 A 14 14 GLN N N 14 114.000 117.018 -3.018 2
1 154 . 1 1 A 15 15 GLU H H 15 7.900 7.966 -0.066 2
1 155 . 1 1 A 15 15 GLU HA H 15 3.900 3.967 -0.067 2
1 160 . 1 1 A 15 15 GLU CA C 15 58.800 59.251 -0.451 2
1 161 . 1 1 A 15 15 GLU CB C 15 28.600 29.425 -0.825 2
1 163 . 1 1 A 15 15 GLU N N 15 122.400 121.066 1.334 2
1 164 . 1 1 A 16 16 HIS H H 16 8.220 7.847 0.373 2
1 165 . 1 1 A 16 16 HIS HA H 16 4.520 4.411 0.109 2
1 170 . 1 1 A 16 16 HIS CA C 16 59.700 59.220 0.480 2
1 171 . 1 1 A 16 16 HIS CB C 16 29.600 29.811 -0.211 2
1 174 . 1 1 A 16 16 HIS N N 16 119.100 118.992 0.108 2
1 175 . 1 1 A 17 17 LEU H H 17 8.090 8.332 -0.242 2
1 176 . 1 1 A 17 17 LEU HA H 17 3.870 3.851 0.019 2
1 186 . 1 1 A 17 17 LEU CA C 17 57.900 58.046 -0.146 2
1 187 . 1 1 A 17 17 LEU CB C 17 41.400 41.483 -0.083 2
1 191 . 1 1 A 17 17 LEU N N 17 120.500 119.851 0.649 2
1 192 . 1 1 A 18 18 LYS H H 18 7.960 7.842 0.118 2
1 193 . 1 1 A 18 18 LYS HA H 18 4.030 4.049 -0.019 2
1 202 . 1 1 A 18 18 LYS CA C 18 58.400 58.644 -0.244 2
1 203 . 1 1 A 18 18 LYS CB C 18 31.800 32.196 -0.396 2
1 207 . 1 1 A 18 18 LYS N N 18 121.000 117.332 3.668 2
1 208 . 1 1 A 19 19 HIS H H 19 7.410 7.542 -0.132 2
1 209 . 1 1 A 19 19 HIS HA H 19 4.720 4.629 0.091 2
1 213 . 1 1 A 19 19 HIS CA C 19 54.700 55.582 -0.882 2
1 214 . 1 1 A 19 19 HIS CB C 19 28.500 29.792 -1.292 2
1 216 . 1 1 A 19 19 HIS N N 19 115.800 115.423 0.377 2
1 217 . 1 1 A 20 20 ASP H H 20 8.010 8.110 -0.100 2
1 218 . 1 1 A 20 20 ASP HA H 20 4.370 4.227 0.143 2
1 221 . 1 1 A 20 20 ASP CA C 20 55.600 55.613 -0.013 2
1 222 . 1 1 A 20 20 ASP CB C 20 39.600 40.605 -1.005 2
1 223 . 1 1 A 20 20 ASP N N 20 115.900 117.918 -2.018 2
1 224 . 1 1 A 21 21 ASN H H 21 8.450 8.329 0.121 2
1 225 . 1 1 A 21 21 ASN HA H 21 5.130 5.004 0.126 2
1 230 . 1 1 A 21 21 ASN CA C 21 50.600 52.085 -1.485 2
1 231 . 1 1 A 21 21 ASN CB C 21 37.000 36.555 0.445 2
1 232 . 1 1 A 21 21 ASN N N 21 118.700 118.236 0.464 2
1 234 . 1 1 A 22 22 ALA H H 22 8.010 8.309 -0.299 2
1 235 . 1 1 A 22 22 ALA HA H 22 3.840 4.019 -0.179 2
1 239 . 1 1 A 22 22 ALA CA C 22 55.300 55.241 0.059 2
1 240 . 1 1 A 22 22 ALA CB C 22 18.300 18.396 -0.096 2
1 241 . 1 1 A 22 22 ALA N N 22 123.300 125.407 -2.107 2
1 242 . 1 1 A 23 23 SER H H 23 8.670 8.087 0.583 2
1 243 . 1 1 A 23 23 SER HA H 23 4.070 4.158 -0.088 2
1 246 . 1 1 A 23 23 SER CA C 23 61.800 61.059 0.741 2
1 247 . 1 1 A 23 23 SER CB C 23 61.900 62.891 -0.991 2
1 248 . 1 1 A 23 23 SER N N 23 112.500 113.264 -0.764 2
1 249 . 1 1 A 24 24 ARG H H 24 7.230 7.883 -0.653 2
1 250 . 1 1 A 24 24 ARG HA H 24 3.960 3.891 0.069 2
1 257 . 1 1 A 24 24 ARG CA C 24 57.000 59.580 -2.580 2
1 258 . 1 1 A 24 24 ARG CB C 24 29.100 29.866 -0.766 2
1 261 . 1 1 A 24 24 ARG N N 24 122.300 121.569 0.731 2
1 262 . 1 1 A 25 25 ALA H H 25 7.340 7.885 -0.545 2
1 263 . 1 1 A 25 25 ALA HA H 25 3.570 3.951 -0.381 2
1 267 . 1 1 A 25 25 ALA CA C 25 55.300 55.003 0.297 2
1 268 . 1 1 A 25 25 ALA CB C 25 18.700 18.194 0.506 2
1 269 . 1 1 A 25 25 ALA N N 25 120.200 121.740 -1.540 2
1 270 . 1 1 A 26 26 LEU H H 26 8.420 8.305 0.115 2
1 271 . 1 1 A 26 26 LEU HA H 26 3.800 4.227 -0.427 2
1 281 . 1 1 A 26 26 LEU CA C 26 58.300 57.896 0.404 2
1 282 . 1 1 A 26 26 LEU CB C 26 41.800 41.397 0.403 2
1 286 . 1 1 A 26 26 LEU N N 26 116.500 120.206 -3.706 2
1 287 . 1 1 A 27 27 ALA H H 27 7.190 8.229 -1.039 2
1 288 . 1 1 A 27 27 ALA HA H 27 4.120 4.030 0.090 2
1 292 . 1 1 A 27 27 ALA CA C 27 54.700 55.154 -0.454 2
1 293 . 1 1 A 27 27 ALA CB C 27 18.000 18.126 -0.126 2
1 294 . 1 1 A 27 27 ALA N N 27 118.200 120.612 -2.412 2
1 295 . 1 1 A 28 28 LEU H H 28 7.500 7.772 -0.272 2
1 296 . 1 1 A 28 28 LEU HA H 28 4.070 3.893 0.177 2
1 306 . 1 1 A 28 28 LEU CA C 28 57.600 57.582 0.018 2
1 307 . 1 1 A 28 28 LEU CB C 28 43.100 42.100 1.000 2
1 311 . 1 1 A 28 28 LEU N N 28 118.300 118.852 -0.552 2
1 312 . 1 1 A 29 29 PHE H H 29 8.690 8.174 0.516 2
1 313 . 1 1 A 29 29 PHE HA H 29 4.630 4.326 0.304 2
1 321 . 1 1 A 29 29 PHE CA C 29 58.700 60.606 -1.906 2
1 322 . 1 1 A 29 29 PHE CB C 29 40.300 38.413 1.887 2
1 326 . 1 1 A 29 29 PHE N N 29 119.000 117.933 1.067 2
1 327 . 1 1 A 30 30 GLU H H 30 8.990 8.534 0.456 2
1 328 . 1 1 A 30 30 GLU HA H 30 3.790 3.925 -0.136 2
1 333 . 1 1 A 30 30 GLU CA C 30 60.100 59.983 0.117 2
1 334 . 1 1 A 30 30 GLU CB C 30 29.100 29.203 -0.103 2
1 336 . 1 1 A 30 30 GLU N N 30 117.400 118.722 -1.322 2
1 337 . 1 1 A 31 31 GLU H H 31 7.830 8.117 -0.287 2
1 338 . 1 1 A 31 31 GLU HA H 31 4.160 4.152 0.008 2
1 343 . 1 1 A 31 31 GLU CA C 31 58.800 59.039 -0.239 2
1 344 . 1 1 A 31 31 GLU CB C 31 29.900 29.421 0.479 2
1 346 . 1 1 A 31 31 GLU N N 31 119.500 119.772 -0.272 2
1 347 . 1 1 A 32 32 LEU H H 32 7.920 8.352 -0.432 2
1 348 . 1 1 A 32 32 LEU HA H 32 4.130 4.150 -0.020 2
1 358 . 1 1 A 32 32 LEU CA C 32 58.200 58.135 0.065 2
1 359 . 1 1 A 32 32 LEU CB C 32 43.000 41.779 1.221 2
1 363 . 1 1 A 32 32 LEU N N 32 122.000 120.317 1.683 2
1 364 . 1 1 A 33 33 VAL H H 33 7.460 7.898 -0.438 2
1 365 . 1 1 A 33 33 VAL HA H 33 3.590 3.376 0.214 2
1 373 . 1 1 A 33 33 VAL CA C 33 65.800 66.912 -1.112 2
1 374 . 1 1 A 33 33 VAL CB C 33 31.500 31.224 0.276 2
1 377 . 1 1 A 33 33 VAL N N 33 116.000 119.140 -3.140 2
1 378 . 1 1 A 34 34 GLU H H 34 7.210 8.246 -1.036 2
1 379 . 1 1 A 34 34 GLU HA H 34 4.130 4.137 -0.007 2
1 384 . 1 1 A 34 34 GLU CA C 34 58.500 58.992 -0.492 2
1 385 . 1 1 A 34 34 GLU CB C 34 29.900 28.996 0.904 2
1 387 . 1 1 A 34 34 GLU N N 34 117.400 119.504 -2.104 2
1 388 . 1 1 A 35 35 THR H H 35 9.100 7.598 1.502 2
1 389 . 1 1 A 35 35 THR HA H 35 4.180 4.301 -0.121 2
1 394 . 1 1 A 35 35 THR CA C 35 63.900 63.760 0.140 2
1 395 . 1 1 A 35 35 THR CB C 35 69.300 69.231 0.069 2
1 397 . 1 1 A 35 35 THR N N 35 109.900 111.090 -1.190 2
1 398 . 1 1 A 36 36 ASP H H 36 8.630 8.142 0.488 2
1 399 . 1 1 A 36 36 ASP HA H 36 5.300 5.082 0.218 2
1 402 . 1 1 A 36 36 ASP CA C 36 52.700 51.583 1.117 2
1 403 . 1 1 A 36 36 ASP CB C 36 42.400 41.528 0.872 2
1 404 . 1 1 A 36 36 ASP N N 36 122.800 120.526 2.274 2
1 405 . 1 1 A 37 37 PRO HA H 37 4.560 4.716 -0.156 2
1 412 . 1 1 A 37 37 PRO CA C 37 64.400 64.375 0.025 2
1 413 . 1 1 A 37 37 PRO CB C 37 31.100 32.143 -1.043 2
1 416 . 1 1 A 38 38 ASP H H 38 8.630 8.560 0.070 2
1 417 . 1 1 A 38 38 ASP HA H 38 4.570 4.648 -0.078 2
1 420 . 1 1 A 38 38 ASP CA C 38 53.800 55.381 -1.581 2
1 421 . 1 1 A 38 38 ASP CB C 38 39.500 40.802 -1.302 2
1 422 . 1 1 A 38 38 ASP N N 38 113.700 117.106 -3.406 2
1 423 . 1 1 A 39 39 TYR H H 39 8.110 7.818 0.292 2
1 424 . 1 1 A 39 39 TYR HA H 39 4.540 4.712 -0.172 2
1 431 . 1 1 A 39 39 TYR CA C 39 58.500 56.403 2.097 2
1 432 . 1 1 A 39 39 TYR CB C 39 36.500 37.824 -1.324 2
1 435 . 1 1 A 39 39 TYR N N 39 123.700 121.676 2.024 2
1 436 . 1 1 A 40 40 VAL H H 40 7.880 7.962 -0.082 2
1 437 . 1 1 A 40 40 VAL HA H 40 3.770 3.875 -0.105 2
1 445 . 1 1 A 40 40 VAL CA C 40 65.000 66.397 -1.397 2
1 446 . 1 1 A 40 40 VAL CB C 40 32.500 31.553 0.947 2
1 449 . 1 1 A 40 40 VAL N N 40 128.100 125.757 2.343 2
1 450 . 1 1 A 41 41 GLY H H 41 7.530 7.920 -0.390 2
1 451 . 1 1 A 41 41 GLY HA2 H 41 3.410 3.471 -0.061 2
1 452 . 1 1 A 41 41 GLY HA3 H 41 3.880 3.883 -0.003 2
1 453 . 1 1 A 41 41 GLY CA C 41 46.400 47.042 -0.642 2
1 454 . 1 1 A 41 41 GLY N N 41 105.900 108.242 -2.342 2
1 455 . 1 1 A 42 42 THR H H 42 7.150 7.509 -0.359 2
1 456 . 1 1 A 42 42 THR HA H 42 3.580 4.323 -0.743 2
1 462 . 1 1 A 42 42 THR CA C 42 65.600 66.952 -1.352 2
1 463 . 1 1 A 42 42 THR CB C 42 68.900 68.604 0.296 2
1 465 . 1 1 A 42 42 THR N N 42 111.900 118.280 -6.380 2
1 466 . 1 1 A 43 43 TYR H H 43 7.040 8.380 -1.340 2
1 467 . 1 1 A 43 43 TYR HA H 43 3.460 4.298 -0.838 2
1 474 . 1 1 A 43 43 TYR CA C 43 64.100 60.501 3.599 2
1 475 . 1 1 A 43 43 TYR CB C 43 38.300 38.364 -0.064 2
1 478 . 1 1 A 43 43 TYR N N 43 113.500 120.719 -7.219 2
1 479 . 1 1 A 44 44 TYR H H 44 9.770 8.175 1.595 2
1 480 . 1 1 A 44 44 TYR HA H 44 3.990 4.477 -0.487 2
1 487 . 1 1 A 44 44 TYR CA C 44 61.900 62.123 -0.223 2
1 488 . 1 1 A 44 44 TYR CB C 44 38.800 38.831 -0.031 2
1 491 . 1 1 A 44 44 TYR N N 44 119.800 120.639 -0.839 2
1 492 . 1 1 A 45 45 HIS H H 45 6.380 8.232 -1.851 2
1 493 . 1 1 A 45 45 HIS HA H 45 3.770 4.255 -0.485 2
1 498 . 1 1 A 45 45 HIS CA C 45 58.500 59.542 -1.042 2
1 499 . 1 1 A 45 45 HIS CB C 45 31.600 30.366 1.234 2
1 502 . 1 1 A 45 45 HIS N N 45 114.500 117.200 -2.699 2
1 503 . 1 1 A 46 46 LEU H H 46 8.360 8.468 -0.108 2
1 504 . 1 1 A 46 46 LEU HA H 46 3.660 3.273 0.387 2
1 514 . 1 1 A 46 46 LEU CA C 46 57.100 57.559 -0.459 2
1 515 . 1 1 A 46 46 LEU CB C 46 40.800 41.639 -0.839 2
1 519 . 1 1 A 46 46 LEU N N 46 121.100 120.645 0.455 2
1 520 . 1 1 A 47 47 GLY H H 47 8.440 8.171 0.269 2
1 521 . 1 1 A 47 47 GLY HA2 H 47 3.350 3.149 0.201 2
1 522 . 1 1 A 47 47 GLY HA3 H 47 3.530 3.675 -0.145 2
1 523 . 1 1 A 47 47 GLY CA C 47 47.200 46.857 0.343 2
1 524 . 1 1 A 47 47 GLY N N 47 106.500 106.397 0.103 2
1 525 . 1 1 A 48 48 LYS H H 48 7.970 7.592 0.378 2
1 526 . 1 1 A 48 48 LYS HA H 48 3.800 3.970 -0.170 2
1 535 . 1 1 A 48 48 LYS CA C 48 58.200 59.342 -1.142 2
1 536 . 1 1 A 48 48 LYS CB C 48 31.600 32.157 -0.557 2
1 540 . 1 1 A 48 48 LYS N N 48 120.500 121.852 -1.352 2
1 541 . 1 1 A 49 49 LEU H H 49 7.800 7.454 0.346 2
1 542 . 1 1 A 49 49 LEU HA H 49 4.170 3.887 0.283 2
1 552 . 1 1 A 49 49 LEU CA C 49 57.500 57.458 0.042 2
1 553 . 1 1 A 49 49 LEU CB C 49 41.000 41.525 -0.525 2
1 557 . 1 1 A 49 49 LEU N N 49 124.000 120.809 3.191 2
1 558 . 1 1 A 50 50 TYR H H 50 8.610 7.910 0.700 2
1 559 . 1 1 A 50 50 TYR HA H 50 4.420 4.283 0.137 2
1 566 . 1 1 A 50 50 TYR CA C 50 59.600 60.708 -1.108 2
1 567 . 1 1 A 50 50 TYR CB C 50 35.600 37.855 -2.256 2
1 570 . 1 1 A 50 50 TYR N N 50 119.000 118.670 0.330 2
1 571 . 1 1 A 51 51 GLU H H 51 8.410 8.472 -0.062 2
1 572 . 1 1 A 51 51 GLU HA H 51 3.760 3.914 -0.154 2
1 577 . 1 1 A 51 51 GLU CA C 51 61.600 60.011 1.589 2
1 578 . 1 1 A 51 51 GLU CB C 51 29.800 29.311 0.489 2
1 580 . 1 1 A 51 51 GLU N N 51 118.600 118.895 -0.295 2
1 581 . 1 1 A 52 52 ARG H H 52 7.910 7.835 0.075 2
1 582 . 1 1 A 52 52 ARG HA H 52 4.150 4.108 0.042 2
1 589 . 1 1 A 52 52 ARG CA C 52 58.600 58.679 -0.079 2
1 590 . 1 1 A 52 52 ARG CB C 52 29.600 30.055 -0.455 2
1 593 . 1 1 A 52 52 ARG N N 52 122.200 120.436 1.764 2
1 594 . 1 1 A 53 53 LEU H H 53 7.740 7.612 0.128 2
1 595 . 1 1 A 53 53 LEU HA H 53 4.400 4.382 0.018 2
1 605 . 1 1 A 53 53 LEU CA C 53 54.100 54.695 -0.595 2
1 606 . 1 1 A 53 53 LEU CB C 53 41.400 41.909 -0.509 2
1 610 . 1 1 A 53 53 LEU N N 53 119.400 117.953 1.447 2
1 611 . 1 1 A 54 54 ASP H H 54 8.090 8.122 -0.032 2
1 612 . 1 1 A 54 54 ASP HA H 54 4.410 4.276 0.134 2
1 615 . 1 1 A 54 54 ASP CA C 54 55.500 55.560 -0.060 2
1 616 . 1 1 A 54 54 ASP CB C 54 38.900 40.618 -1.718 2
1 617 . 1 1 A 54 54 ASP N N 54 116.300 118.362 -2.062 2
1 618 . 1 1 A 55 55 ARG H H 55 8.420 8.354 0.066 2
1 619 . 1 1 A 55 55 ARG HA H 55 4.680 4.595 0.085 2
1 627 . 1 1 A 55 55 ARG CA C 55 54.000 54.568 -0.568 2
1 628 . 1 1 A 55 55 ARG CB C 55 29.800 28.342 1.458 2
1 631 . 1 1 A 55 55 ARG N N 55 120.800 119.923 0.877 2
1 633 . 1 1 A 56 56 THR H H 56 7.870 7.849 0.021 2
1 634 . 1 1 A 56 56 THR HA H 56 3.510 3.781 -0.271 2
1 639 . 1 1 A 56 56 THR CA C 56 67.500 67.187 0.313 2
1 640 . 1 1 A 56 56 THR CB C 56 68.000 68.643 -0.643 2
1 642 . 1 1 A 56 56 THR N N 56 117.300 115.813 1.487 2
1 643 . 1 1 A 57 57 ASP H H 57 8.450 8.321 0.129 2
1 644 . 1 1 A 57 57 ASP HA H 57 4.260 4.283 -0.023 2
1 647 . 1 1 A 57 57 ASP CA C 57 57.900 57.683 0.217 2
1 648 . 1 1 A 57 57 ASP CB C 57 39.100 40.900 -1.800 2
1 649 . 1 1 A 57 57 ASP N N 57 120.300 120.792 -0.492 2
1 650 . 1 1 A 58 58 ASP H H 58 7.540 8.005 -0.465 2
1 651 . 1 1 A 58 58 ASP HA H 58 4.170 4.136 0.034 2
1 654 . 1 1 A 58 58 ASP CA C 58 56.900 56.908 -0.008 2
1 655 . 1 1 A 58 58 ASP CB C 58 38.400 39.739 -1.339 2
1 656 . 1 1 A 58 58 ASP N N 58 120.200 119.465 0.735 2
1 657 . 1 1 A 59 59 ALA H H 59 8.110 7.741 0.369 2
1 658 . 1 1 A 59 59 ALA HA H 59 3.760 3.981 -0.221 2
1 662 . 1 1 A 59 59 ALA CA C 59 56.000 55.024 0.976 2
1 663 . 1 1 A 59 59 ALA CB C 59 19.200 18.469 0.731 2
1 664 . 1 1 A 59 59 ALA N N 59 124.700 121.921 2.779 2
1 665 . 1 1 A 60 60 ILE H H 60 8.230 8.164 0.066 2
1 666 . 1 1 A 60 60 ILE HA H 60 3.520 3.837 -0.317 2
1 676 . 1 1 A 60 60 ILE CA C 60 66.800 65.288 1.512 2
1 677 . 1 1 A 60 60 ILE CB C 60 38.400 37.780 0.620 2
1 681 . 1 1 A 60 60 ILE N N 60 117.600 118.159 -0.559 2
1 682 . 1 1 A 61 61 ASP H H 61 7.750 8.110 -0.360 2
1 683 . 1 1 A 61 61 ASP HA H 61 4.440 4.300 0.140 2
1 686 . 1 1 A 61 61 ASP CA C 61 57.100 57.361 -0.261 2
1 687 . 1 1 A 61 61 ASP CB C 61 40.500 41.113 -0.613 2
1 688 . 1 1 A 61 61 ASP N N 61 118.300 120.336 -2.036 2
1 689 . 1 1 A 62 62 THR H H 62 8.040 7.945 0.095 2
1 690 . 1 1 A 62 62 THR HA H 62 4.070 4.036 0.034 2
1 695 . 1 1 A 62 62 THR CA C 62 68.000 66.550 1.450 2
1 696 . 1 1 A 62 62 THR CB C 62 68.600 68.537 0.063 2
1 698 . 1 1 A 62 62 THR N N 62 119.800 115.917 3.883 2
1 699 . 1 1 A 63 63 TYR H H 63 8.970 8.100 0.870 2
1 700 . 1 1 A 63 63 TYR HA H 63 4.480 4.453 0.027 2
1 707 . 1 1 A 63 63 TYR CA C 63 59.200 60.960 -1.760 2
1 708 . 1 1 A 63 63 TYR CB C 63 37.700 37.322 0.378 2
1 711 . 1 1 A 63 63 TYR N N 63 121.700 120.763 0.936 2
1 712 . 1 1 A 64 64 ALA H H 64 8.690 8.373 0.317 2
1 713 . 1 1 A 64 64 ALA HA H 64 4.000 4.069 -0.069 2
1 717 . 1 1 A 64 64 ALA CA C 64 55.500 55.370 0.130 2
1 718 . 1 1 A 64 64 ALA CB C 64 17.800 18.132 -0.332 2
1 719 . 1 1 A 64 64 ALA N N 64 119.400 122.574 -3.174 2
1 720 . 1 1 A 65 65 GLN H H 65 8.100 8.051 0.049 2
1 721 . 1 1 A 65 65 GLN HA H 65 4.010 4.028 -0.018 2
1 728 . 1 1 A 65 65 GLN CA C 65 58.600 59.018 -0.418 2
1 729 . 1 1 A 65 65 GLN CB C 65 28.500 28.149 0.350 2
1 731 . 1 1 A 65 65 GLN N N 65 119.600 118.141 1.459 2
1 733 . 1 1 A 66 66 GLY H H 66 8.430 8.210 0.220 2
1 734 . 1 1 A 66 66 GLY HA2 H 66 3.080 2.938 0.142 2
1 735 . 1 1 A 66 66 GLY HA3 H 66 2.520 3.476 -0.956 2
1 736 . 1 1 A 66 66 GLY CA C 66 46.800 47.034 -0.234 2
1 737 . 1 1 A 66 66 GLY N N 66 108.200 107.182 1.018 2
1 738 . 1 1 A 67 67 ILE H H 67 8.570 8.441 0.129 2
1 739 . 1 1 A 67 67 ILE HA H 67 3.320 3.808 -0.488 2
1 749 . 1 1 A 67 67 ILE CA C 67 65.900 64.205 1.695 2
1 750 . 1 1 A 67 67 ILE CB C 67 38.400 37.469 0.931 2
1 754 . 1 1 A 67 67 ILE N N 67 123.500 122.398 1.102 2
1 755 . 1 1 A 68 68 GLU H H 68 7.030 7.798 -0.768 2
1 756 . 1 1 A 68 68 GLU HA H 68 3.960 4.033 -0.073 2
1 761 . 1 1 A 68 68 GLU CA C 68 58.700 59.336 -0.636 2
1 762 . 1 1 A 68 68 GLU CB C 68 28.500 29.310 -0.810 2
1 764 . 1 1 A 68 68 GLU N N 68 116.500 119.667 -3.167 2
1 765 . 1 1 A 69 69 VAL H H 69 7.440 7.439 0.001 2
1 766 . 1 1 A 69 69 VAL HA H 69 3.740 3.889 -0.149 2
1 774 . 1 1 A 69 69 VAL CA C 69 65.700 64.332 1.368 2
1 775 . 1 1 A 69 69 VAL CB C 69 32.000 31.325 0.675 2
1 778 . 1 1 A 69 69 VAL N N 69 119.500 116.031 3.469 2
1 779 . 1 1 A 70 70 ALA H H 70 9.290 8.287 1.003 2
1 780 . 1 1 A 70 70 ALA HA H 70 3.820 3.987 -0.167 2
1 784 . 1 1 A 70 70 ALA CA C 70 54.400 55.597 -1.197 2
1 785 . 1 1 A 70 70 ALA CB C 70 18.000 18.157 -0.157 2
1 786 . 1 1 A 70 70 ALA N N 70 122.500 124.132 -1.631 2
1 787 . 1 1 A 71 71 ARG H H 71 8.280 7.875 0.405 2
1 788 . 1 1 A 71 71 ARG HA H 71 3.870 4.051 -0.181 2
1 796 . 1 1 A 71 71 ARG CA C 71 59.500 58.894 0.606 2
1 797 . 1 1 A 71 71 ARG CB C 71 30.000 29.938 0.062 2
1 800 . 1 1 A 71 71 ARG N N 71 116.900 116.966 -0.066 2
1 802 . 1 1 A 72 72 GLU H H 72 7.390 7.823 -0.433 2
1 803 . 1 1 A 72 72 GLU HA H 72 4.300 4.200 0.100 2
1 808 . 1 1 A 72 72 GLU CA C 72 57.700 58.779 -1.079 2
1 809 . 1 1 A 72 72 GLU CB C 72 30.500 30.302 0.198 2
1 811 . 1 1 A 72 72 GLU N N 72 116.800 118.895 -2.095 2
1 812 . 1 1 A 73 73 GLU H H 73 8.490 8.269 0.221 2
1 813 . 1 1 A 73 73 GLU HA H 73 4.550 4.271 0.279 2
1 818 . 1 1 A 73 73 GLU CA C 73 55.900 58.545 -2.645 2
1 819 . 1 1 A 73 73 GLU CB C 73 30.800 30.066 0.734 2
1 821 . 1 1 A 73 73 GLU N N 73 115.000 118.388 -3.388 2
1 822 . 1 1 A 74 74 GLY H H 74 8.070 7.741 0.329 2
1 823 . 1 1 A 74 74 GLY HA2 H 74 4.450 3.944 0.506 2
1 824 . 1 1 A 74 74 GLY HA3 H 74 3.830 3.951 -0.121 2
1 825 . 1 1 A 74 74 GLY CA C 74 44.600 44.788 -0.188 2
1 826 . 1 1 A 74 74 GLY N N 74 108.100 109.012 -0.912 2
1 827 . 1 1 A 75 75 THR H H 75 8.760 7.873 0.887 2
1 828 . 1 1 A 75 75 THR HA H 75 4.670 4.738 -0.068 2
1 833 . 1 1 A 75 75 THR CA C 75 59.000 60.413 -1.413 2
1 834 . 1 1 A 75 75 THR CB C 75 70.900 70.175 0.725 2
1 836 . 1 1 A 75 75 THR N N 75 111.400 114.875 -3.475 2
1 837 . 1 1 A 76 76 GLN H H 76 8.710 8.779 -0.069 2
1 838 . 1 1 A 76 76 GLN HA H 76 3.940 3.965 -0.025 2
1 845 . 1 1 A 76 76 GLN CA C 76 58.700 59.097 -0.397 2
1 846 . 1 1 A 76 76 GLN CB C 76 27.900 28.284 -0.384 2
1 848 . 1 1 A 76 76 GLN N N 76 123.100 125.363 -2.263 2
1 850 . 1 1 A 77 77 LYS H H 77 8.240 7.942 0.297 2
1 851 . 1 1 A 77 77 LYS HA H 77 4.000 4.019 -0.019 2
1 860 . 1 1 A 77 77 LYS CA C 77 59.200 59.597 -0.397 2
1 861 . 1 1 A 77 77 LYS CB C 77 31.900 32.170 -0.270 2
1 865 . 1 1 A 77 77 LYS N N 77 121.000 119.009 1.991 2
1 866 . 1 1 A 78 78 ASP H H 78 7.390 8.122 -0.732 2
1 867 . 1 1 A 78 78 ASP HA H 78 4.170 4.419 -0.249 2
1 870 . 1 1 A 78 78 ASP CA C 78 57.000 57.185 -0.185 2
1 871 . 1 1 A 78 78 ASP CB C 78 41.400 40.513 0.887 2
1 872 . 1 1 A 78 78 ASP N N 78 117.800 119.752 -1.952 2
1 873 . 1 1 A 79 79 LEU H H 79 7.690 7.904 -0.214 2
1 874 . 1 1 A 79 79 LEU HA H 79 3.770 4.073 -0.303 2
1 884 . 1 1 A 79 79 LEU CA C 79 58.100 58.029 0.071 2
1 885 . 1 1 A 79 79 LEU CB C 79 42.100 41.358 0.742 2
1 889 . 1 1 A 79 79 LEU N N 79 118.400 122.571 -4.171 2
1 890 . 1 1 A 80 80 SER H H 80 8.400 8.228 0.172 2
1 891 . 1 1 A 80 80 SER HA H 80 4.170 4.081 0.089 2
1 894 . 1 1 A 80 80 SER CA C 80 61.500 61.516 -0.016 2
1 895 . 1 1 A 80 80 SER CB C 80 62.500 62.881 -0.381 2
1 896 . 1 1 A 80 80 SER N N 80 114.000 114.872 -0.872 2
1 897 . 1 1 A 81 81 GLU H H 81 7.930 7.637 0.293 2
1 898 . 1 1 A 81 81 GLU HA H 81 4.030 4.071 -0.041 2
1 903 . 1 1 A 81 81 GLU CA C 81 59.000 59.133 -0.133 2
1 904 . 1 1 A 81 81 GLU CB C 81 29.000 29.278 -0.278 2
1 906 . 1 1 A 81 81 GLU N N 81 121.000 122.058 -1.058 2
1 907 . 1 1 A 82 82 LEU H H 82 7.870 8.371 -0.501 2
1 908 . 1 1 A 82 82 LEU HA H 82 3.890 3.986 -0.096 2
1 918 . 1 1 A 82 82 LEU CA C 82 57.900 57.899 0.001 2
1 919 . 1 1 A 82 82 LEU CB C 82 43.900 41.317 2.583 2
1 923 . 1 1 A 82 82 LEU N N 82 120.900 120.225 0.675 2
1 924 . 1 1 A 83 83 GLN H H 83 8.520 8.284 0.236 2
1 925 . 1 1 A 83 83 GLN HA H 83 3.900 3.918 -0.018 2
1 932 . 1 1 A 83 83 GLN CA C 83 59.200 59.053 0.147 2
1 933 . 1 1 A 83 83 GLN CB C 83 28.300 28.336 -0.036 2
1 935 . 1 1 A 83 83 GLN N N 83 118.300 118.297 0.003 2
1 937 . 1 1 A 84 84 ASP H H 84 8.140 8.326 -0.186 2
1 938 . 1 1 A 84 84 ASP HA H 84 4.340 4.326 0.014 2
1 941 . 1 1 A 84 84 ASP CA C 84 57.100 57.664 -0.564 2
1 942 . 1 1 A 84 84 ASP CB C 84 41.000 41.608 -0.608 2
1 943 . 1 1 A 84 84 ASP N N 84 119.700 119.616 0.084 2
1 944 . 1 1 A 85 85 ALA H H 85 7.740 8.193 -0.453 2
1 945 . 1 1 A 85 85 ALA HA H 85 3.810 3.865 -0.055 2
1 949 . 1 1 A 85 85 ALA CA C 85 54.600 55.095 -0.495 2
1 950 . 1 1 A 85 85 ALA CB C 85 16.200 17.762 -1.562 2
1 951 . 1 1 A 85 85 ALA N N 85 121.600 121.411 0.189 2
1 952 . 1 1 A 86 86 LYS H H 86 8.070 7.544 0.526 2
1 953 . 1 1 A 86 86 LYS HA H 86 3.810 4.082 -0.272 2
1 962 . 1 1 A 86 86 LYS CA C 86 60.600 59.064 1.536 2
1 963 . 1 1 A 86 86 LYS CB C 86 33.300 31.853 1.447 2
1 967 . 1 1 A 86 86 LYS N N 86 120.200 116.468 3.732 2
1 968 . 1 1 A 87 87 LEU H H 87 7.780 8.031 -0.251 2
1 969 . 1 1 A 87 87 LEU HA H 87 4.160 3.999 0.161 2
1 979 . 1 1 A 87 87 LEU CA C 87 57.500 58.114 -0.614 2
1 980 . 1 1 A 87 87 LEU CB C 87 41.900 41.695 0.205 2
1 984 . 1 1 A 87 87 LEU N N 87 118.400 121.272 -2.872 2
1 985 . 1 1 A 88 88 LYS H H 88 7.900 8.187 -0.287 2
1 986 . 1 1 A 88 88 LYS HA H 88 3.960 4.027 -0.067 2
1 995 . 1 1 A 88 88 LYS CA C 88 59.200 58.964 0.236 2
1 996 . 1 1 A 88 88 LYS CB C 88 32.000 31.870 0.130 2
1 1000 . 1 1 A 88 88 LYS N N 88 118.700 117.443 1.257 2
1 1001 . 1 1 A 89 89 ALA H H 89 8.000 7.939 0.061 2
1 1002 . 1 1 A 89 89 ALA HA H 89 4.150 4.066 0.085 2
1 1006 . 1 1 A 89 89 ALA CA C 89 54.500 55.135 -0.635 2
1 1007 . 1 1 A 89 89 ALA CB C 89 17.800 18.378 -0.578 2
1 1008 . 1 1 A 89 89 ALA N N 89 122.400 121.927 0.473 2
1 1009 . 1 1 A 90 90 GLU H H 90 8.300 8.365 -0.065 2
1 1010 . 1 1 A 90 90 GLU HA H 90 3.930 4.081 -0.151 2
1 1015 . 1 1 A 90 90 GLU CA C 90 58.000 59.173 -1.173 2
1 1016 . 1 1 A 90 90 GLU CB C 90 29.700 29.393 0.307 2
1 1018 . 1 1 A 90 90 GLU N N 90 116.700 117.501 -0.801 2
1 1019 . 1 1 A 91 91 GLY H H 91 7.710 7.945 -0.235 2
1 1020 . 1 1 A 91 91 GLY HA2 H 91 4.070 3.907 0.163 2
1 1021 . 1 1 A 91 91 GLY HA3 H 91 3.870 3.937 -0.067 2
1 1022 . 1 1 A 91 91 GLY CA C 91 45.500 45.724 -0.224 2
1 1023 . 1 1 A 91 91 GLY N N 91 106.000 109.001 -3.001 2
1 1024 . 1 1 A 92 92 LEU H H 92 7.640 7.551 0.089 2
1 1025 . 1 1 A 92 92 LEU HA H 92 4.270 4.021 0.249 2
1 1035 . 1 1 A 92 92 LEU CA C 92 55.200 57.662 -2.462 2
1 1036 . 1 1 A 92 92 LEU CB C 92 42.100 42.204 -0.104 2
1 1040 . 1 1 A 92 92 LEU N N 92 121.200 121.446 -0.246 2
1 1041 . 1 1 A 93 93 GLU H H 93 8.290 7.734 0.556 2
1 1042 . 1 1 A 93 93 GLU HA H 93 4.130 4.540 -0.410 2
1 1047 . 1 1 A 93 93 GLU CA C 93 56.700 55.283 1.417 2
1 1048 . 1 1 A 93 93 GLU CB C 93 29.700 31.009 -1.309 2
1 1050 . 1 1 A 93 93 GLU N N 93 120.200 114.327 5.873 2
1 1051 . 1 1 A 94 94 HIS H H 94 8.260 8.517 -0.257 2
1 1052 . 1 1 A 94 94 HIS HA H 94 4.560 4.762 -0.202 2
1 1055 . 1 1 A 94 94 HIS CA C 94 55.400 55.290 0.110 2
1 1056 . 1 1 A 94 94 HIS CB C 94 29.700 29.827 -0.127 2
1 1057 . 1 1 A 94 94 HIS N N 94 118.900 119.040 -0.140 2
1 1058 . 1 1 A 95 95 HIS H H 95 8.170 8.199 -0.029 2
1 1059 . 1 1 A 95 95 HIS HA H 95 4.410 4.384 0.026 2
1 1062 . 1 1 A 95 95 HIS CA C 95 57.000 56.179 0.821 2
1 1063 . 1 1 A 95 95 HIS CB C 95 30.000 29.352 0.648 2
stop_
save_