data_15338_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15338
_Entry.PDB_ID 2JRP
_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 7 . 1 1 1 A 2 2 GLU H H 2 8.850 8.107 0.743 1
1 8 . 1 1 1 A 2 2 GLU HA H 2 4.450 4.165 0.285 1
1 13 . 1 1 1 A 2 2 GLU C C 2 175.400 174.482 0.918 1
1 14 . 1 1 1 A 2 2 GLU CA C 2 55.900 58.582 -2.682 1
1 15 . 1 1 1 A 2 2 GLU CB C 2 30.300 28.375 1.925 1
1 17 . 1 1 1 A 2 2 GLU N N 2 123.600 117.115 6.485 1
1 18 . 1 1 1 A 3 3 ILE H H 3 8.590 8.646 -0.056 1
1 19 . 1 1 1 A 3 3 ILE HA H 3 4.310 4.805 -0.495 1
1 29 . 1 1 1 A 3 3 ILE C C 3 175.100 175.133 -0.033 1
1 30 . 1 1 1 A 3 3 ILE CA C 3 60.700 60.521 0.179 1
1 31 . 1 1 1 A 3 3 ILE CB C 3 39.500 40.707 -1.207 1
1 35 . 1 1 1 A 3 3 ILE N N 3 122.100 120.609 1.491 1
1 36 . 1 1 1 A 4 4 THR H H 4 8.130 8.831 -0.701 1
1 37 . 1 1 1 A 4 4 THR HA H 4 4.540 5.036 -0.496 1
1 42 . 1 1 1 A 4 4 THR C C 4 173.000 172.814 0.186 1
1 43 . 1 1 1 A 4 4 THR CA C 4 59.700 59.270 0.430 1
1 44 . 1 1 1 A 4 4 THR CB C 4 71.400 71.838 -0.438 1
1 46 . 1 1 1 A 4 4 THR N N 4 116.800 117.315 -0.515 1
1 47 . 1 1 1 A 5 5 CYS H H 5 8.700 8.483 0.217 1
1 48 . 1 1 1 A 5 5 CYS HA H 5 3.960 4.379 -0.419 1
1 51 . 1 1 1 A 5 5 CYS CA C 5 56.800 57.551 -0.751 1
1 52 . 1 1 1 A 5 5 CYS CB C 5 32.000 27.693 4.307 1
1 53 . 1 1 1 A 5 5 CYS N N 5 125.600 122.071 3.529 1
1 54 . 1 1 1 A 6 6 PRO HA H 6 4.260 4.487 -0.227 1
1 61 . 1 1 1 A 6 6 PRO C C 6 176.000 177.247 -1.247 1
1 62 . 1 1 1 A 6 6 PRO CA C 6 63.900 63.994 -0.094 1
1 63 . 1 1 1 A 6 6 PRO CB C 6 32.100 31.727 0.373 1
1 66 . 1 1 1 A 7 7 VAL H H 7 9.210 7.465 1.745 1
1 67 . 1 1 1 A 7 7 VAL HA H 7 3.820 4.058 -0.238 1
1 75 . 1 1 1 A 7 7 VAL CA C 7 64.900 63.151 1.749 1
1 76 . 1 1 1 A 7 7 VAL CB C 7 32.200 32.638 -0.438 1
1 79 . 1 1 1 A 7 7 VAL N N 7 122.500 115.052 7.448 1
1 80 . 1 1 1 A 8 8 CYS HA H 8 4.560 4.570 -0.010 1
1 83 . 1 1 1 A 8 8 CYS C C 8 176.800 172.871 3.929 1
1 84 . 1 1 1 A 8 8 CYS CA C 8 58.900 57.396 1.504 1
1 85 . 1 1 1 A 8 8 CYS CB C 8 32.000 28.151 3.849 1
1 86 . 1 1 1 A 9 9 HIS H H 9 7.550 8.930 -1.380 1
1 87 . 1 1 1 A 9 9 HIS HA H 9 4.470 4.752 -0.282 1
1 91 . 1 1 1 A 9 9 HIS CA C 9 56.900 54.618 2.282 1
1 92 . 1 1 1 A 9 9 HIS CB C 9 25.900 28.808 -2.908 1
1 94 . 1 1 1 A 9 9 HIS N N 9 115.000 126.804 -11.804 1
1 95 . 1 1 1 A 10 10 HIS HA H 10 4.790 4.568 0.222 1
1 100 . 1 1 1 A 10 10 HIS C C 10 174.700 175.101 -0.401 1
1 101 . 1 1 1 A 10 10 HIS CA C 10 55.700 57.095 -1.395 1
1 102 . 1 1 1 A 10 10 HIS CB C 10 29.800 31.059 -1.259 1
1 105 . 1 1 1 A 11 11 ALA H H 11 8.790 7.504 1.286 1
1 106 . 1 1 1 A 11 11 ALA HA H 11 4.310 4.472 -0.162 1
1 110 . 1 1 1 A 11 11 ALA C C 11 177.800 175.451 2.349 1
1 111 . 1 1 1 A 11 11 ALA CA C 11 53.400 51.934 1.466 1
1 112 . 1 1 1 A 11 11 ALA CB C 11 18.600 22.020 -3.420 1
1 113 . 1 1 1 A 11 11 ALA N N 11 124.500 115.932 8.568 1
1 114 . 1 1 1 A 12 12 LEU H H 12 8.480 8.832 -0.352 1
1 115 . 1 1 1 A 12 12 LEU HA H 12 4.640 5.077 -0.437 1
1 125 . 1 1 1 A 12 12 LEU C C 12 176.900 175.556 1.344 1
1 126 . 1 1 1 A 12 12 LEU CA C 12 53.500 53.429 0.071 1
1 127 . 1 1 1 A 12 12 LEU CB C 12 44.100 43.633 0.467 1
1 131 . 1 1 1 A 12 12 LEU N N 12 121.200 123.411 -2.211 1
1 132 . 1 1 1 A 13 13 GLU H H 13 8.600 8.539 0.061 1
1 133 . 1 1 1 A 13 13 GLU HA H 13 4.590 4.907 -0.317 1
1 138 . 1 1 1 A 13 13 GLU C C 13 175.700 175.475 0.225 1
1 139 . 1 1 1 A 13 13 GLU CA C 13 54.700 55.214 -0.514 1
1 140 . 1 1 1 A 13 13 GLU CB C 13 30.200 31.442 -1.242 1
1 142 . 1 1 1 A 13 13 GLU N N 13 120.300 124.972 -4.672 1
1 143 . 1 1 1 A 14 14 ARG H H 14 9.010 8.743 0.267 1
1 144 . 1 1 1 A 14 14 ARG HA H 14 4.460 4.724 -0.264 1
1 151 . 1 1 1 A 14 14 ARG C C 14 174.900 176.189 -1.289 1
1 152 . 1 1 1 A 14 14 ARG CA C 14 56.400 55.318 1.082 1
1 153 . 1 1 1 A 14 14 ARG CB C 14 31.800 31.990 -0.190 1
1 156 . 1 1 1 A 14 14 ARG N N 14 126.500 127.205 -0.705 1
1 157 . 1 1 1 A 15 15 ASN H H 15 8.670 8.710 -0.040 1
1 158 . 1 1 1 A 15 15 ASN HA H 15 4.850 4.813 0.037 1
1 161 . 1 1 1 A 15 15 ASN C C 15 174.900 175.344 -0.444 1
1 162 . 1 1 1 A 15 15 ASN CA C 15 52.100 52.659 -0.559 1
1 163 . 1 1 1 A 15 15 ASN CB C 15 39.200 38.847 0.353 1
1 164 . 1 1 1 A 15 15 ASN N N 15 125.100 125.575 -0.475 1
1 165 . 1 1 1 A 16 16 GLY H H 16 8.880 8.203 0.677 1
1 166 . 1 1 1 A 16 16 GLY HA2 H 16 3.570 4.049 -0.479 1
1 167 . 1 1 1 A 16 16 GLY HA3 H 16 4.000 4.077 -0.077 1
1 168 . 1 1 1 A 16 16 GLY C C 16 173.700 173.801 -0.101 1
1 169 . 1 1 1 A 16 16 GLY CA C 16 47.200 44.516 2.684 1
1 170 . 1 1 1 A 16 16 GLY N N 16 114.400 107.454 6.946 1
1 171 . 1 1 1 A 17 17 ASP H H 17 8.600 8.845 -0.245 1
1 172 . 1 1 1 A 17 17 ASP HA H 17 4.600 4.654 -0.054 1
1 175 . 1 1 1 A 17 17 ASP C C 17 174.800 175.084 -0.284 1
1 176 . 1 1 1 A 17 17 ASP CA C 17 53.800 56.190 -2.390 1
1 177 . 1 1 1 A 17 17 ASP CB C 17 40.200 40.586 -0.386 1
1 178 . 1 1 1 A 17 17 ASP N N 17 126.400 121.839 4.561 1
1 179 . 1 1 1 A 18 18 THR H H 18 7.710 8.615 -0.905 1
1 180 . 1 1 1 A 18 18 THR HA H 18 5.120 5.180 -0.060 1
1 185 . 1 1 1 A 18 18 THR C C 18 171.900 173.148 -1.248 1
1 186 . 1 1 1 A 18 18 THR CA C 18 60.400 61.419 -1.019 1
1 187 . 1 1 1 A 18 18 THR CB C 18 72.300 71.844 0.456 1
1 189 . 1 1 1 A 18 18 THR N N 18 112.300 112.824 -0.524 1
1 190 . 1 1 1 A 19 19 ALA H H 19 9.090 9.428 -0.338 1
1 191 . 1 1 1 A 19 19 ALA HA H 19 5.250 5.606 -0.356 1
1 195 . 1 1 1 A 19 19 ALA C C 19 175.000 175.457 -0.457 1
1 196 . 1 1 1 A 19 19 ALA CA C 19 50.300 50.148 0.152 1
1 197 . 1 1 1 A 19 19 ALA CB C 19 23.900 21.593 2.307 1
1 198 . 1 1 1 A 19 19 ALA N N 19 123.300 127.282 -3.982 1
1 199 . 1 1 1 A 20 20 HIS H H 20 9.130 9.292 -0.162 1
1 200 . 1 1 1 A 20 20 HIS HA H 20 5.550 4.997 0.553 1
1 205 . 1 1 1 A 20 20 HIS C C 20 173.100 173.705 -0.605 1
1 206 . 1 1 1 A 20 20 HIS CA C 20 54.700 55.184 -0.484 1
1 207 . 1 1 1 A 20 20 HIS CB C 20 31.900 31.686 0.214 1
1 210 . 1 1 1 A 20 20 HIS N N 20 120.000 123.654 -3.654 1
1 211 . 1 1 1 A 21 21 CYS H H 21 8.910 8.784 0.126 1
1 212 . 1 1 1 A 21 21 CYS HA H 21 4.700 4.733 -0.033 1
1 215 . 1 1 1 A 21 21 CYS C C 21 176.400 175.356 1.044 1
1 216 . 1 1 1 A 21 21 CYS CA C 21 57.900 57.906 -0.006 1
1 217 . 1 1 1 A 21 21 CYS CB C 21 31.700 29.028 2.672 1
1 218 . 1 1 1 A 21 21 CYS N N 21 129.200 127.403 1.797 1
1 219 . 1 1 1 A 22 22 GLU H H 22 9.030 8.749 0.281 1
1 220 . 1 1 1 A 22 22 GLU HA H 22 4.130 4.189 -0.059 1
1 225 . 1 1 1 A 22 22 GLU C C 22 177.400 176.634 0.766 1
1 226 . 1 1 1 A 22 22 GLU CA C 22 58.200 59.355 -1.155 1
1 227 . 1 1 1 A 22 22 GLU CB C 22 29.500 29.245 0.255 1
1 229 . 1 1 1 A 22 22 GLU N N 22 128.800 126.061 2.739 1
1 230 . 1 1 1 A 23 23 THR H H 23 8.360 7.955 0.405 1
1 231 . 1 1 1 A 23 23 THR HA H 23 3.920 4.235 -0.315 1
1 236 . 1 1 1 A 23 23 THR C C 23 176.500 174.632 1.868 1
1 237 . 1 1 1 A 23 23 THR CA C 23 66.800 62.780 4.020 1
1 238 . 1 1 1 A 23 23 THR CB C 23 69.100 69.026 0.074 1
1 240 . 1 1 1 A 23 23 THR N N 23 119.800 113.003 6.797 1
1 241 . 1 1 1 A 24 24 CYS H H 24 9.570 8.988 0.582 1
1 242 . 1 1 1 A 24 24 CYS HA H 24 3.880 4.302 -0.422 1
1 245 . 1 1 1 A 24 24 CYS C C 24 174.900 174.258 0.642 1
1 246 . 1 1 1 A 24 24 CYS CA C 24 62.000 61.573 0.427 1
1 247 . 1 1 1 A 24 24 CYS CB C 24 30.300 25.644 4.656 1
1 248 . 1 1 1 A 24 24 CYS N N 24 123.600 118.597 5.003 1
1 249 . 1 1 1 A 25 25 ALA H H 25 7.720 7.869 -0.149 1
1 250 . 1 1 1 A 25 25 ALA HA H 25 3.820 3.846 -0.026 1
1 254 . 1 1 1 A 25 25 ALA C C 25 175.400 175.638 -0.238 1
1 255 . 1 1 1 A 25 25 ALA CA C 25 52.500 53.378 -0.878 1
1 256 . 1 1 1 A 25 25 ALA CB C 25 16.000 17.430 -1.430 1
1 257 . 1 1 1 A 25 25 ALA N N 25 121.400 122.698 -1.298 1
1 258 . 1 1 1 A 26 26 LYS H H 26 6.910 7.468 -0.558 1
1 259 . 1 1 1 A 26 26 LYS HA H 26 4.450 4.546 -0.096 1
1 268 . 1 1 1 A 26 26 LYS CA C 26 54.600 55.195 -0.595 1
1 269 . 1 1 1 A 26 26 LYS CB C 26 37.900 34.137 3.763 1
1 273 . 1 1 1 A 26 26 LYS N N 26 116.100 117.017 -0.917 1
1 274 . 1 1 1 A 27 27 ASP HA H 27 5.610 5.230 0.380 1
1 277 . 1 1 1 A 27 27 ASP C C 27 174.400 174.943 -0.543 1
1 278 . 1 1 1 A 27 27 ASP CA C 27 53.000 52.624 0.376 1
1 279 . 1 1 1 A 27 27 ASP CB C 27 44.200 43.471 0.729 1
1 280 . 1 1 1 A 28 28 PHE H H 28 9.200 9.324 -0.124 1
1 281 . 1 1 1 A 28 28 PHE HA H 28 4.890 5.078 -0.188 1
1 289 . 1 1 1 A 28 28 PHE C C 28 175.500 175.120 0.380 1
1 290 . 1 1 1 A 28 28 PHE CA C 28 56.800 56.588 0.212 1
1 291 . 1 1 1 A 28 28 PHE CB C 28 42.900 39.497 3.403 1
1 297 . 1 1 1 A 28 28 PHE N N 28 118.100 122.920 -4.820 1
1 298 . 1 1 1 A 29 29 SER H H 29 9.070 9.019 0.051 1
1 299 . 1 1 1 A 29 29 SER HA H 29 4.750 4.953 -0.203 1
1 302 . 1 1 1 A 29 29 SER C C 29 173.400 174.154 -0.754 1
1 303 . 1 1 1 A 29 29 SER CA C 29 58.400 58.623 -0.223 1
1 304 . 1 1 1 A 29 29 SER CB C 29 64.100 63.950 0.150 1
1 305 . 1 1 1 A 29 29 SER N N 29 118.400 121.612 -3.212 1
1 306 . 1 1 1 A 30 30 LEU H H 30 8.180 9.473 -1.293 1
1 307 . 1 1 1 A 30 30 LEU HA H 30 5.200 5.436 -0.236 1
1 317 . 1 1 1 A 30 30 LEU CA C 30 53.100 53.564 -0.464 1
1 318 . 1 1 1 A 30 30 LEU CB C 30 44.800 44.374 0.426 1
1 322 . 1 1 1 A 30 30 LEU N N 30 122.200 126.761 -4.561 1
1 323 . 1 1 1 A 31 31 GLN HA H 31 4.680 4.972 -0.292 1
1 328 . 1 1 1 A 31 31 GLN C C 31 173.600 175.213 -1.613 1
1 329 . 1 1 1 A 31 31 GLN CA C 31 54.200 54.225 -0.025 1
1 330 . 1 1 1 A 31 31 GLN CB C 31 31.800 31.277 0.523 1
1 332 . 1 1 1 A 32 32 ALA H H 32 8.560 8.877 -0.317 1
1 333 . 1 1 1 A 32 32 ALA HA H 32 3.990 4.312 -0.322 1
1 337 . 1 1 1 A 32 32 ALA C C 32 175.600 176.722 -1.122 1
1 338 . 1 1 1 A 32 32 ALA CA C 32 50.900 51.217 -0.317 1
1 339 . 1 1 1 A 32 32 ALA CB C 32 20.300 19.466 0.834 1
1 340 . 1 1 1 A 32 32 ALA N N 32 128.100 125.827 2.273 1
1 341 . 1 1 1 A 33 33 LEU H H 33 8.740 8.933 -0.193 1
1 342 . 1 1 1 A 33 33 LEU HA H 33 4.560 4.916 -0.356 1
1 352 . 1 1 1 A 33 33 LEU C C 33 175.400 175.767 -0.367 1
1 353 . 1 1 1 A 33 33 LEU CA C 33 52.700 53.240 -0.540 1
1 354 . 1 1 1 A 33 33 LEU CB C 33 44.200 45.148 -0.948 1
1 358 . 1 1 1 A 33 33 LEU N N 33 124.500 123.221 1.279 1
1 359 . 1 1 1 A 34 34 CYS H H 34 8.260 8.165 0.095 1
1 360 . 1 1 1 A 34 34 CYS HA H 34 4.270 4.730 -0.460 1
1 363 . 1 1 1 A 34 34 CYS CA C 34 56.900 57.513 -0.613 1
1 364 . 1 1 1 A 34 34 CYS CB C 34 31.400 27.917 3.483 1
1 365 . 1 1 1 A 34 34 CYS N N 34 123.600 120.592 3.008 1
1 366 . 1 1 1 A 35 35 PRO HA H 35 4.290 4.481 -0.191 1
1 373 . 1 1 1 A 35 35 PRO C C 35 176.100 176.847 -0.747 1
1 374 . 1 1 1 A 35 35 PRO CA C 35 63.700 64.366 -0.666 1
1 375 . 1 1 1 A 35 35 PRO CB C 35 31.600 31.857 -0.257 1
1 378 . 1 1 1 A 36 36 ASP H H 36 8.980 8.510 0.470 1
1 379 . 1 1 1 A 36 36 ASP HA H 36 4.600 4.719 -0.119 1
1 382 . 1 1 1 A 36 36 ASP C C 36 176.500 175.961 0.539 1
1 383 . 1 1 1 A 36 36 ASP CA C 36 56.400 55.128 1.272 1
1 384 . 1 1 1 A 36 36 ASP CB C 36 40.100 42.154 -2.054 1
1 385 . 1 1 1 A 36 36 ASP N N 36 122.200 115.329 6.871 1
1 386 . 1 1 1 A 37 37 CYS H H 37 7.840 7.796 0.044 1
1 387 . 1 1 1 A 37 37 CYS HA H 37 5.000 4.520 0.480 1
1 390 . 1 1 1 A 37 37 CYS C C 37 175.400 172.988 2.412 1
1 391 . 1 1 1 A 37 37 CYS CA C 37 58.400 57.383 1.017 1
1 392 . 1 1 1 A 37 37 CYS CB C 37 32.300 28.277 4.023 1
1 393 . 1 1 1 A 37 37 CYS N N 37 116.000 115.399 0.601 1
1 394 . 1 1 1 A 38 38 ARG H H 38 7.880 8.711 -0.831 1
1 395 . 1 1 1 A 38 38 ARG HA H 38 4.050 4.389 -0.339 1
1 402 . 1 1 1 A 38 38 ARG C C 38 173.700 174.506 -0.806 1
1 403 . 1 1 1 A 38 38 ARG CA C 38 58.100 55.155 2.945 1
1 404 . 1 1 1 A 38 38 ARG CB C 38 27.400 28.826 -1.426 1
1 407 . 1 1 1 A 38 38 ARG N N 38 117.700 127.448 -9.748 1
1 408 . 1 1 1 A 39 39 GLN H H 39 7.720 7.796 -0.076 1
1 409 . 1 1 1 A 39 39 GLN HA H 39 4.710 4.769 -0.059 1
1 414 . 1 1 1 A 39 39 GLN CA C 39 53.900 52.657 1.243 1
1 415 . 1 1 1 A 39 39 GLN CB C 39 28.100 30.727 -2.627 1
1 417 . 1 1 1 A 39 39 GLN N N 39 117.500 124.354 -6.854 1
1 418 . 1 1 1 A 40 40 PRO HA H 40 4.570 4.180 0.390 1
1 425 . 1 1 1 A 40 40 PRO C C 40 176.600 177.271 -0.671 1
1 426 . 1 1 1 A 40 40 PRO CA C 40 63.700 63.285 0.415 1
1 427 . 1 1 1 A 40 40 PRO CB C 40 31.900 32.038 -0.138 1
1 430 . 1 1 1 A 41 41 LEU H H 41 8.170 7.896 0.274 1
1 431 . 1 1 1 A 41 41 LEU HA H 41 4.460 3.924 0.536 1
1 441 . 1 1 1 A 41 41 LEU C C 41 177.200 175.479 1.721 1
1 442 . 1 1 1 A 41 41 LEU CA C 41 54.000 57.256 -3.256 1
1 443 . 1 1 1 A 41 41 LEU CB C 41 43.200 40.609 2.591 1
1 447 . 1 1 1 A 41 41 LEU N N 41 124.100 119.004 5.096 1
1 448 . 1 1 1 A 42 42 GLN H H 42 9.240 8.114 1.126 1
1 449 . 1 1 1 A 42 42 GLN HA H 42 4.490 4.717 -0.227 1
1 454 . 1 1 1 A 42 42 GLN C C 42 175.000 174.098 0.902 1
1 455 . 1 1 1 A 42 42 GLN CA C 42 55.300 55.667 -0.367 1
1 456 . 1 1 1 A 42 42 GLN CB C 42 29.600 32.290 -2.690 1
1 458 . 1 1 1 A 42 42 GLN N N 42 122.100 116.211 5.889 1
1 459 . 1 1 1 A 43 43 VAL H H 43 8.600 8.827 -0.227 1
1 460 . 1 1 1 A 43 43 VAL HA H 43 4.260 4.284 -0.024 1
1 468 . 1 1 1 A 43 43 VAL C C 43 175.500 175.309 0.191 1
1 469 . 1 1 1 A 43 43 VAL CA C 43 62.100 62.883 -0.783 1
1 470 . 1 1 1 A 43 43 VAL CB C 43 32.000 31.194 0.806 1
1 473 . 1 1 1 A 43 43 VAL N N 43 126.400 126.981 -0.581 1
1 474 . 1 1 1 A 44 44 LEU H H 44 8.940 9.377 -0.437 1
1 475 . 1 1 1 A 44 44 LEU HA H 44 4.510 4.961 -0.451 1
1 485 . 1 1 1 A 44 44 LEU C C 44 175.500 176.044 -0.544 1
1 486 . 1 1 1 A 44 44 LEU CA C 44 53.400 53.873 -0.473 1
1 487 . 1 1 1 A 44 44 LEU CB C 44 42.800 42.481 0.319 1
1 491 . 1 1 1 A 44 44 LEU N N 44 130.200 129.316 0.884 1
1 492 . 1 1 1 A 45 45 LYS H H 45 8.520 8.999 -0.479 1
1 493 . 1 1 1 A 45 45 LYS HA H 45 4.830 5.560 -0.730 1
1 502 . 1 1 1 A 45 45 LYS C C 45 175.600 175.581 0.019 1
1 503 . 1 1 1 A 45 45 LYS CA C 45 55.700 54.684 1.016 1
1 504 . 1 1 1 A 45 45 LYS CB C 45 33.500 35.588 -2.088 1
1 508 . 1 1 1 A 45 45 LYS N N 45 123.700 124.269 -0.569 1
1 509 . 1 1 1 A 46 46 ALA H H 46 8.220 8.809 -0.589 1
1 510 . 1 1 1 A 46 46 ALA HA H 46 4.540 4.674 -0.134 1
1 514 . 1 1 1 A 46 46 ALA C C 46 176.900 176.679 0.221 1
1 515 . 1 1 1 A 46 46 ALA CA C 46 51.900 51.214 0.686 1
1 516 . 1 1 1 A 46 46 ALA CB C 46 20.700 21.358 -0.658 1
1 517 . 1 1 1 A 46 46 ALA N N 46 126.400 123.502 2.898 1
1 518 . 1 1 1 A 47 47 CYS H H 47 9.200 9.202 -0.002 1
1 519 . 1 1 1 A 47 47 CYS HA H 47 4.080 4.193 -0.113 1
1 522 . 1 1 1 A 47 47 CYS C C 47 175.100 174.889 0.211 1
1 523 . 1 1 1 A 47 47 CYS CA C 47 59.700 60.529 -0.829 1
1 524 . 1 1 1 A 47 47 CYS CB C 47 25.800 26.557 -0.757 1
1 525 . 1 1 1 A 47 47 CYS N N 47 120.400 124.424 -4.024 1
1 526 . 1 1 1 A 48 48 GLY H H 48 8.620 8.309 0.311 1
1 527 . 1 1 1 A 48 48 GLY HA2 H 48 3.670 3.947 -0.277 1
1 528 . 1 1 1 A 48 48 GLY HA3 H 48 4.070 3.947 0.123 1
1 529 . 1 1 1 A 48 48 GLY C C 48 173.100 174.313 -1.213 1
1 530 . 1 1 1 A 48 48 GLY CA C 48 45.500 45.039 0.461 1
1 531 . 1 1 1 A 48 48 GLY N N 48 109.000 105.882 3.118 1
1 532 . 1 1 1 A 49 49 ALA H H 49 7.820 7.699 0.121 1
1 533 . 1 1 1 A 49 49 ALA HA H 49 4.620 4.283 0.337 1
1 537 . 1 1 1 A 49 49 ALA C C 49 176.000 176.054 -0.054 1
1 538 . 1 1 1 A 49 49 ALA CA C 49 51.000 52.589 -1.589 1
1 539 . 1 1 1 A 49 49 ALA CB C 49 21.300 19.947 1.353 1
1 540 . 1 1 1 A 49 49 ALA N N 49 124.000 124.430 -0.430 1
1 541 . 1 1 1 A 50 50 VAL H H 50 8.100 8.468 -0.368 1
1 542 . 1 1 1 A 50 50 VAL HA H 50 4.560 5.198 -0.638 1
1 550 . 1 1 1 A 50 50 VAL C C 50 174.300 172.766 1.534 1
1 551 . 1 1 1 A 50 50 VAL CA C 50 61.400 59.554 1.846 1
1 552 . 1 1 1 A 50 50 VAL CB C 50 33.800 35.505 -1.705 1
1 555 . 1 1 1 A 50 50 VAL N N 50 119.600 119.265 0.335 1
1 556 . 1 1 1 A 51 51 ASP H H 51 8.640 8.905 -0.265 1
1 557 . 1 1 1 A 51 51 ASP HA H 51 5.030 5.147 -0.117 1
1 560 . 1 1 1 A 51 51 ASP C C 51 173.000 173.610 -0.610 1
1 561 . 1 1 1 A 51 51 ASP CA C 51 52.000 52.826 -0.826 1
1 562 . 1 1 1 A 51 51 ASP CB C 51 43.900 44.574 -0.674 1
1 563 . 1 1 1 A 51 51 ASP N N 51 124.900 126.505 -1.605 1
1 564 . 1 1 1 A 52 52 TYR H H 52 8.950 8.894 0.056 1
1 565 . 1 1 1 A 52 52 TYR HA H 52 5.150 5.618 -0.468 1
1 572 . 1 1 1 A 52 52 TYR C C 52 174.500 174.826 -0.326 1
1 573 . 1 1 1 A 52 52 TYR CA C 52 57.300 56.285 1.015 1
1 574 . 1 1 1 A 52 52 TYR CB C 52 41.200 39.383 1.817 1
1 579 . 1 1 1 A 52 52 TYR N N 52 118.500 125.236 -6.736 1
1 580 . 1 1 1 A 53 53 PHE H H 53 9.250 8.994 0.256 1
1 581 . 1 1 1 A 53 53 PHE HA H 53 5.040 4.963 0.077 1
1 588 . 1 1 1 A 53 53 PHE C C 53 173.200 173.998 -0.798 1
1 589 . 1 1 1 A 53 53 PHE CA C 53 56.400 58.011 -1.611 1
1 590 . 1 1 1 A 53 53 PHE CB C 53 44.300 41.531 2.769 1
1 595 . 1 1 1 A 53 53 PHE N N 53 123.100 124.207 -1.107 1
1 596 . 1 1 1 A 54 54 CYS H H 54 9.160 8.656 0.504 1
1 597 . 1 1 1 A 54 54 CYS HA H 54 4.690 4.671 0.019 1
1 600 . 1 1 1 A 54 54 CYS C C 54 175.700 174.617 1.083 1
1 601 . 1 1 1 A 54 54 CYS CA C 54 58.200 58.673 -0.473 1
1 602 . 1 1 1 A 54 54 CYS CB C 54 29.600 26.946 2.654 1
1 603 . 1 1 1 A 54 54 CYS N N 54 130.800 125.335 5.465 1
1 604 . 1 1 1 A 55 55 GLN H H 55 9.260 8.168 1.092 1
1 605 . 1 1 1 A 55 55 GLN HA H 55 4.300 4.013 0.287 1
1 610 . 1 1 1 A 55 55 GLN C C 55 174.400 178.126 -3.726 1
1 611 . 1 1 1 A 55 55 GLN CA C 55 56.900 58.275 -1.375 1
1 612 . 1 1 1 A 55 55 GLN CB C 55 28.900 28.714 0.186 1
1 614 . 1 1 1 A 55 55 GLN N N 55 129.000 125.748 3.252 1
1 615 . 1 1 1 A 56 56 ASN H H 56 9.100 8.119 0.981 1
1 616 . 1 1 1 A 56 56 ASN HA H 56 4.860 4.640 0.220 1
1 619 . 1 1 1 A 56 56 ASN C C 56 174.100 177.702 -3.602 1
1 620 . 1 1 1 A 56 56 ASN CA C 56 52.100 54.879 -2.779 1
1 621 . 1 1 1 A 56 56 ASN CB C 56 39.500 38.597 0.903 1
1 622 . 1 1 1 A 56 56 ASN N N 56 122.300 118.205 4.095 1
1 623 . 1 1 1 A 57 57 GLY H H 57 7.180 8.340 -1.160 1
1 624 . 1 1 1 A 57 57 GLY HA2 H 57 3.450 3.990 -0.540 1
1 625 . 1 1 1 A 57 57 GLY HA3 H 57 4.000 3.996 0.004 1
1 626 . 1 1 1 A 57 57 GLY C C 57 175.800 174.570 1.230 1
1 627 . 1 1 1 A 57 57 GLY CA C 57 45.100 45.900 -0.800 1
1 628 . 1 1 1 A 57 57 GLY N N 57 104.200 106.554 -2.354 1
1 629 . 1 1 1 A 58 58 HIS H H 58 7.380 7.740 -0.360 1
1 630 . 1 1 1 A 58 58 HIS HA H 58 4.620 4.826 -0.206 1
1 633 . 1 1 1 A 58 58 HIS C C 58 174.100 174.719 -0.619 1
1 634 . 1 1 1 A 58 58 HIS CA C 58 59.600 56.842 2.758 1
1 635 . 1 1 1 A 58 58 HIS CB C 58 30.100 31.651 -1.551 1
1 636 . 1 1 1 A 58 58 HIS N N 58 116.000 117.951 -1.951 1
1 637 . 1 1 1 A 59 59 GLY H H 59 7.610 7.244 0.366 1
1 638 . 1 1 1 A 59 59 GLY HA2 H 59 2.930 3.706 -0.776 1
1 639 . 1 1 1 A 59 59 GLY HA3 H 59 3.700 3.846 -0.146 1
1 640 . 1 1 1 A 59 59 GLY C C 59 173.100 172.528 0.572 1
1 641 . 1 1 1 A 59 59 GLY CA C 59 45.500 45.454 0.046 1
1 642 . 1 1 1 A 59 59 GLY N N 59 108.000 104.913 3.087 1
1 643 . 1 1 1 A 60 60 LEU H H 60 8.450 8.334 0.116 1
1 644 . 1 1 1 A 60 60 LEU HA H 60 4.620 3.992 0.628 1
1 654 . 1 1 1 A 60 60 LEU C C 60 176.800 175.952 0.848 1
1 655 . 1 1 1 A 60 60 LEU CA C 60 55.700 53.996 1.704 1
1 656 . 1 1 1 A 60 60 LEU CB C 60 42.200 43.139 -0.939 1
1 660 . 1 1 1 A 60 60 LEU N N 60 124.300 119.914 4.386 1
1 661 . 1 1 1 A 61 61 ILE H H 61 8.740 8.037 0.703 1
1 662 . 1 1 1 A 61 61 ILE HA H 61 4.200 4.705 -0.505 1
1 672 . 1 1 1 A 61 61 ILE C C 61 175.500 175.132 0.368 1
1 673 . 1 1 1 A 61 61 ILE CA C 61 57.000 59.617 -2.617 1
1 674 . 1 1 1 A 61 61 ILE CB C 61 37.400 41.719 -4.319 1
1 678 . 1 1 1 A 61 61 ILE N N 61 128.500 120.646 7.854 1
1 679 . 1 1 1 A 62 62 SER H H 62 8.490 8.744 -0.254 1
1 680 . 1 1 1 A 62 62 SER HA H 62 4.380 4.597 -0.217 1
1 683 . 1 1 1 A 62 62 SER C C 62 176.500 176.383 0.117 1
1 684 . 1 1 1 A 62 62 SER CA C 62 58.300 58.674 -0.374 1
1 685 . 1 1 1 A 62 62 SER CB C 62 63.500 63.553 -0.053 1
1 686 . 1 1 1 A 62 62 SER N N 62 121.700 121.247 0.453 1
1 687 . 1 1 1 A 63 63 LYS H H 63 9.040 9.233 -0.193 1
1 688 . 1 1 1 A 63 63 LYS HA H 63 3.910 4.395 -0.485 1
1 697 . 1 1 1 A 63 63 LYS C C 63 178.200 178.556 -0.356 1
1 698 . 1 1 1 A 63 63 LYS CA C 63 60.300 58.605 1.695 1
1 699 . 1 1 1 A 63 63 LYS CB C 63 32.000 32.401 -0.401 1
1 703 . 1 1 1 A 63 63 LYS N N 63 126.000 130.350 -4.350 1
1 704 . 1 1 1 A 64 64 LYS H H 64 8.090 8.030 0.060 1
1 705 . 1 1 1 A 64 64 LYS HA H 64 4.190 4.200 -0.010 1
1 714 . 1 1 1 A 64 64 LYS C C 64 177.000 177.727 -0.727 1
1 715 . 1 1 1 A 64 64 LYS CA C 64 58.000 58.421 -0.421 1
1 716 . 1 1 1 A 64 64 LYS CB C 64 32.300 32.496 -0.196 1
1 720 . 1 1 1 A 64 64 LYS N N 64 115.400 120.389 -4.989 1
1 721 . 1 1 1 A 65 65 ARG H H 65 7.960 8.175 -0.215 1
1 722 . 1 1 1 A 65 65 ARG HA H 65 4.280 4.577 -0.297 1
1 729 . 1 1 1 A 65 65 ARG C C 65 176.000 175.716 0.284 1
1 730 . 1 1 1 A 65 65 ARG CA C 65 55.900 55.071 0.829 1
1 731 . 1 1 1 A 65 65 ARG CB C 65 32.000 31.149 0.851 1
1 734 . 1 1 1 A 65 65 ARG N N 65 116.600 116.782 -0.182 1
1 735 . 1 1 1 A 66 66 VAL H H 66 6.810 7.522 -0.712 1
1 736 . 1 1 1 A 66 66 VAL HA H 66 2.800 3.924 -1.124 1
1 744 . 1 1 1 A 66 66 VAL C C 66 174.500 175.060 -0.560 1
1 745 . 1 1 1 A 66 66 VAL CA C 66 65.000 62.506 2.494 1
1 746 . 1 1 1 A 66 66 VAL CB C 66 32.000 32.494 -0.494 1
1 749 . 1 1 1 A 66 66 VAL N N 66 119.600 120.705 -1.105 1
1 750 . 1 1 1 A 67 67 ASN H H 67 7.270 8.474 -1.204 1
1 751 . 1 1 1 A 67 67 ASN HA H 67 4.840 4.834 0.006 1
1 756 . 1 1 1 A 67 67 ASN C C 67 173.200 173.734 -0.534 1
1 757 . 1 1 1 A 67 67 ASN CA C 67 51.200 51.926 -0.726 1
1 758 . 1 1 1 A 67 67 ASN CB C 67 39.100 38.182 0.918 1
1 759 . 1 1 1 A 67 67 ASN N N 67 123.500 126.011 -2.511 1
1 761 . 1 1 1 A 68 68 PHE H H 68 8.180 8.594 -0.414 1
1 762 . 1 1 1 A 68 68 PHE HA H 68 5.170 5.278 -0.108 1
1 770 . 1 1 1 A 68 68 PHE C C 68 175.300 174.809 0.491 1
1 771 . 1 1 1 A 68 68 PHE CA C 68 58.000 57.535 0.465 1
1 772 . 1 1 1 A 68 68 PHE CB C 68 41.100 38.500 2.600 1
1 778 . 1 1 1 A 68 68 PHE N N 68 123.300 126.332 -3.032 1
1 779 . 1 1 1 A 69 69 VAL H H 69 8.660 8.960 -0.300 1
1 780 . 1 1 1 A 69 69 VAL HA H 69 4.520 4.909 -0.389 1
1 788 . 1 1 1 A 69 69 VAL C C 69 175.100 174.649 0.451 1
1 789 . 1 1 1 A 69 69 VAL CA C 69 59.200 59.617 -0.417 1
1 790 . 1 1 1 A 69 69 VAL CB C 69 35.100 34.263 0.837 1
1 793 . 1 1 1 A 69 69 VAL N N 69 116.500 123.990 -7.490 1
1 794 . 1 1 1 A 70 70 ILE H H 70 8.480 8.605 -0.125 1
1 795 . 1 1 1 A 70 70 ILE HA H 70 4.350 4.485 -0.135 1
1 805 . 1 1 1 A 70 70 ILE C C 70 176.400 174.837 1.563 1
1 806 . 1 1 1 A 70 70 ILE CA C 70 61.300 61.687 -0.387 1
1 807 . 1 1 1 A 70 70 ILE CB C 70 38.200 36.764 1.436 1
1 811 . 1 1 1 A 70 70 ILE N N 70 123.100 127.682 -4.582 1
1 812 . 1 1 1 A 71 71 SER H H 71 8.770 7.875 0.895 1
1 813 . 1 1 1 A 71 71 SER HA H 71 4.550 5.218 -0.668 1
1 816 . 1 1 1 A 71 71 SER C C 71 174.200 174.088 0.112 1
1 817 . 1 1 1 A 71 71 SER CA C 71 57.700 56.429 1.271 1
1 818 . 1 1 1 A 71 71 SER CB C 71 64.100 64.047 0.053 1
1 819 . 1 1 1 A 71 71 SER N N 71 122.200 120.133 2.067 1
1 820 . 1 1 1 A 72 72 ASP H H 72 8.470 8.473 -0.003 1
1 821 . 1 1 1 A 72 72 ASP HA H 72 4.720 4.875 -0.155 1
1 824 . 1 1 1 A 72 72 ASP C C 72 176.100 176.520 -0.420 1
1 825 . 1 1 1 A 72 72 ASP CA C 72 54.200 53.414 0.786 1
1 826 . 1 1 1 A 72 72 ASP CB C 72 41.200 40.699 0.501 1
1 827 . 1 1 1 A 72 72 ASP N N 72 122.700 121.759 0.941 1
1 828 . 1 1 1 A 73 73 GLN H H 73 8.490 7.310 1.180 1
1 829 . 1 1 1 A 73 73 GLN HA H 73 4.310 4.413 -0.103 1
1 834 . 1 1 1 A 73 73 GLN C C 73 176.000 175.387 0.613 1
1 835 . 1 1 1 A 73 73 GLN CA C 73 56.100 55.377 0.723 1
1 836 . 1 1 1 A 73 73 GLN CB C 73 29.200 29.782 -0.582 1
1 838 . 1 1 1 A 73 73 GLN N N 73 120.300 119.362 0.938 1
1 839 . 1 1 1 A 74 74 LEU H H 74 8.250 8.418 -0.168 1
1 840 . 1 1 1 A 74 74 LEU HA H 74 4.250 4.364 -0.114 1
1 850 . 1 1 1 A 74 74 LEU C C 74 177.100 177.152 -0.052 1
1 851 . 1 1 1 A 74 74 LEU CA C 74 55.200 54.950 0.250 1
1 852 . 1 1 1 A 74 74 LEU CB C 74 42.100 41.870 0.230 1
1 856 . 1 1 1 A 74 74 LEU N N 74 123.000 124.413 -1.413 1
1 857 . 1 1 1 A 75 75 GLU H H 75 8.260 8.660 -0.400 1
1 858 . 1 1 1 A 75 75 GLU HA H 75 4.170 4.602 -0.432 1
1 863 . 1 1 1 A 75 75 GLU C C 75 176.200 178.091 -1.891 1
1 864 . 1 1 1 A 75 75 GLU CA C 75 56.300 56.462 -0.162 1
1 865 . 1 1 1 A 75 75 GLU CB C 75 29.800 29.831 -0.031 1
1 867 . 1 1 1 A 75 75 GLU N N 75 120.700 123.563 -2.863 1
1 868 . 1 1 1 A 76 76 HIS H H 76 8.480 8.069 0.411 1
1 869 . 1 1 1 A 76 76 HIS HA H 76 4.610 4.496 0.114 1
1 872 . 1 1 1 A 76 76 HIS C C 76 174.200 176.255 -2.055 1
1 873 . 1 1 1 A 76 76 HIS CA C 76 55.100 58.717 -3.617 1
1 874 . 1 1 1 A 76 76 HIS CB C 76 28.700 30.105 -1.405 1
1 875 . 1 1 1 A 76 76 HIS N N 76 119.100 117.709 1.391 1
1 876 . 1 1 1 A 77 77 HIS H H 77 8.540 8.545 -0.005 1
1 877 . 1 1 1 A 77 77 HIS HA H 77 4.620 4.719 -0.099 1
1 880 . 1 1 1 A 77 77 HIS C C 77 174.100 174.870 -0.770 1
1 881 . 1 1 1 A 77 77 HIS CA C 77 55.300 54.153 1.147 1
1 882 . 1 1 1 A 77 77 HIS CB C 77 28.900 30.302 -1.402 1
1 883 . 1 1 1 A 77 77 HIS N N 77 118.700 116.495 2.205 1
1 884 . 1 1 1 A 78 78 HIS H H 78 8.630 8.558 0.072 1
1 885 . 1 1 1 A 78 78 HIS HA H 78 4.660 4.488 0.172 1
1 888 . 1 1 1 A 78 78 HIS C C 78 174.100 174.759 -0.659 1
1 889 . 1 1 1 A 78 78 HIS CA C 78 55.200 56.778 -1.578 1
1 890 . 1 1 1 A 78 78 HIS CB C 78 29.100 32.056 -2.956 1
1 891 . 1 1 1 A 78 78 HIS N N 78 119.500 124.296 -4.796 1
1 892 . 1 1 1 A 79 79 HIS H H 79 8.690 8.048 0.642 1
1 893 . 1 1 1 A 79 79 HIS HA H 79 4.660 4.498 0.162 1
1 896 . 1 1 1 A 79 79 HIS C C 79 173.900 173.722 0.178 1
1 897 . 1 1 1 A 79 79 HIS CA C 79 55.200 54.673 0.527 1
1 898 . 1 1 1 A 79 79 HIS CB C 79 29.100 28.838 0.262 1
1 899 . 1 1 1 A 79 79 HIS N N 79 120.400 119.220 1.180 1
1 900 . 1 1 1 A 80 80 HIS H H 80 8.590 8.159 0.431 1
1 901 . 1 1 1 A 80 80 HIS HA H 80 4.630 5.317 -0.687 1
1 904 . 1 1 1 A 80 80 HIS C C 80 173.400 174.411 -1.011 1
1 905 . 1 1 1 A 80 80 HIS CA C 80 55.400 53.638 1.762 1
1 906 . 1 1 1 A 80 80 HIS CB C 80 29.300 32.687 -3.387 1
1 907 . 1 1 1 A 80 80 HIS N N 80 120.600 121.455 -0.855 1
1 7 . 2 1 1 A 2 2 GLU H H 2 8.850 8.542 0.308 1
1 8 . 2 1 1 A 2 2 GLU HA H 2 4.450 4.836 -0.386 1
1 13 . 2 1 1 A 2 2 GLU C C 2 175.400 175.958 -0.558 1
1 14 . 2 1 1 A 2 2 GLU CA C 2 55.900 55.379 0.521 1
1 15 . 2 1 1 A 2 2 GLU CB C 2 30.300 31.599 -1.299 1
1 17 . 2 1 1 A 2 2 GLU N N 2 123.600 123.715 -0.115 1
1 18 . 2 1 1 A 3 3 ILE H H 3 8.590 8.588 0.002 1
1 19 . 2 1 1 A 3 3 ILE HA H 3 4.310 4.320 -0.010 1
1 29 . 2 1 1 A 3 3 ILE C C 3 175.100 175.613 -0.513 1
1 30 . 2 1 1 A 3 3 ILE CA C 3 60.700 61.021 -0.321 1
1 31 . 2 1 1 A 3 3 ILE CB C 3 39.500 37.320 2.180 1
1 35 . 2 1 1 A 3 3 ILE N N 3 122.100 123.803 -1.703 1
1 36 . 2 1 1 A 4 4 THR H H 4 8.130 8.747 -0.617 1
1 37 . 2 1 1 A 4 4 THR HA H 4 4.540 4.344 0.196 1
1 42 . 2 1 1 A 4 4 THR C C 4 173.000 174.180 -1.180 1
1 43 . 2 1 1 A 4 4 THR CA C 4 59.700 63.133 -3.433 1
1 44 . 2 1 1 A 4 4 THR CB C 4 71.400 69.074 2.326 1
1 46 . 2 1 1 A 4 4 THR N N 4 116.800 123.504 -6.704 1
1 47 . 2 1 1 A 5 5 CYS H H 5 8.700 8.786 -0.086 1
1 48 . 2 1 1 A 5 5 CYS HA H 5 3.960 4.366 -0.406 1
1 51 . 2 1 1 A 5 5 CYS CA C 5 56.800 57.410 -0.610 1
1 52 . 2 1 1 A 5 5 CYS CB C 5 32.000 28.543 3.457 1
1 53 . 2 1 1 A 5 5 CYS N N 5 125.600 126.318 -0.718 1
1 54 . 2 1 1 A 6 6 PRO HA H 6 4.260 4.445 -0.185 1
1 61 . 2 1 1 A 6 6 PRO C C 6 176.000 178.526 -2.526 1
1 62 . 2 1 1 A 6 6 PRO CA C 6 63.900 64.310 -0.410 1
1 63 . 2 1 1 A 6 6 PRO CB C 6 32.100 32.130 -0.030 1
1 66 . 2 1 1 A 7 7 VAL H H 7 9.210 6.864 2.346 1
1 67 . 2 1 1 A 7 7 VAL HA H 7 3.820 3.848 -0.028 1
1 75 . 2 1 1 A 7 7 VAL CA C 7 64.900 64.604 0.296 1
1 76 . 2 1 1 A 7 7 VAL CB C 7 32.200 31.942 0.258 1
1 79 . 2 1 1 A 7 7 VAL N N 7 122.500 115.752 6.748 1
1 80 . 2 1 1 A 8 8 CYS HA H 8 4.560 4.493 0.067 1
1 83 . 2 1 1 A 8 8 CYS C C 8 176.800 175.316 1.484 1
1 84 . 2 1 1 A 8 8 CYS CA C 8 58.900 59.394 -0.494 1
1 85 . 2 1 1 A 8 8 CYS CB C 8 32.000 28.109 3.891 1
1 86 . 2 1 1 A 9 9 HIS H H 9 7.550 7.848 -0.298 1
1 87 . 2 1 1 A 9 9 HIS HA H 9 4.470 4.545 -0.075 1
1 91 . 2 1 1 A 9 9 HIS CA C 9 56.900 56.759 0.141 1
1 92 . 2 1 1 A 9 9 HIS CB C 9 25.900 28.347 -2.447 1
1 94 . 2 1 1 A 9 9 HIS N N 9 115.000 119.170 -4.170 1
1 95 . 2 1 1 A 10 10 HIS HA H 10 4.790 5.029 -0.239 1
1 100 . 2 1 1 A 10 10 HIS C C 10 174.700 174.181 0.519 1
1 101 . 2 1 1 A 10 10 HIS CA C 10 55.700 54.610 1.090 1
1 102 . 2 1 1 A 10 10 HIS CB C 10 29.800 33.789 -3.989 1
1 105 . 2 1 1 A 11 11 ALA H H 11 8.790 8.454 0.336 1
1 106 . 2 1 1 A 11 11 ALA HA H 11 4.310 4.224 0.086 1
1 110 . 2 1 1 A 11 11 ALA C C 11 177.800 177.745 0.055 1
1 111 . 2 1 1 A 11 11 ALA CA C 11 53.400 52.266 1.134 1
1 112 . 2 1 1 A 11 11 ALA CB C 11 18.600 18.878 -0.278 1
1 113 . 2 1 1 A 11 11 ALA N N 11 124.500 124.912 -0.412 1
1 114 . 2 1 1 A 12 12 LEU H H 12 8.480 8.806 -0.326 1
1 115 . 2 1 1 A 12 12 LEU HA H 12 4.640 4.229 0.411 1
1 125 . 2 1 1 A 12 12 LEU C C 12 176.900 176.761 0.139 1
1 126 . 2 1 1 A 12 12 LEU CA C 12 53.500 55.041 -1.541 1
1 127 . 2 1 1 A 12 12 LEU CB C 12 44.100 42.505 1.595 1
1 131 . 2 1 1 A 12 12 LEU N N 12 121.200 123.035 -1.835 1
1 132 . 2 1 1 A 13 13 GLU H H 13 8.600 8.514 0.086 1
1 133 . 2 1 1 A 13 13 GLU HA H 13 4.590 4.714 -0.124 1
1 138 . 2 1 1 A 13 13 GLU C C 13 175.700 175.547 0.153 1
1 139 . 2 1 1 A 13 13 GLU CA C 13 54.700 55.126 -0.426 1
1 140 . 2 1 1 A 13 13 GLU CB C 13 30.200 31.011 -0.811 1
1 142 . 2 1 1 A 13 13 GLU N N 13 120.300 122.887 -2.587 1
1 143 . 2 1 1 A 14 14 ARG H H 14 9.010 8.625 0.385 1
1 144 . 2 1 1 A 14 14 ARG HA H 14 4.460 4.746 -0.286 1
1 151 . 2 1 1 A 14 14 ARG C C 14 174.900 176.202 -1.302 1
1 152 . 2 1 1 A 14 14 ARG CA C 14 56.400 55.890 0.510 1
1 153 . 2 1 1 A 14 14 ARG CB C 14 31.800 31.193 0.607 1
1 156 . 2 1 1 A 14 14 ARG N N 14 126.500 125.460 1.040 1
1 157 . 2 1 1 A 15 15 ASN H H 15 8.670 9.692 -1.022 1
1 158 . 2 1 1 A 15 15 ASN HA H 15 4.850 5.076 -0.226 1
1 161 . 2 1 1 A 15 15 ASN C C 15 174.900 175.322 -0.422 1
1 162 . 2 1 1 A 15 15 ASN CA C 15 52.100 53.406 -1.306 1
1 163 . 2 1 1 A 15 15 ASN CB C 15 39.200 40.330 -1.130 1
1 164 . 2 1 1 A 15 15 ASN N N 15 125.100 119.663 5.437 1
1 165 . 2 1 1 A 16 16 GLY H H 16 8.880 7.193 1.687 1
1 166 . 2 1 1 A 16 16 GLY HA2 H 16 3.570 4.099 -0.529 1
1 167 . 2 1 1 A 16 16 GLY HA3 H 16 4.000 4.134 -0.134 1
1 168 . 2 1 1 A 16 16 GLY C C 16 173.700 175.230 -1.530 1
1 169 . 2 1 1 A 16 16 GLY CA C 16 47.200 45.895 1.305 1
1 170 . 2 1 1 A 16 16 GLY N N 16 114.400 106.131 8.269 1
1 171 . 2 1 1 A 17 17 ASP H H 17 8.600 8.652 -0.052 1
1 172 . 2 1 1 A 17 17 ASP HA H 17 4.600 4.785 -0.185 1
1 175 . 2 1 1 A 17 17 ASP C C 17 174.800 175.646 -0.846 1
1 176 . 2 1 1 A 17 17 ASP CA C 17 53.800 54.690 -0.890 1
1 177 . 2 1 1 A 17 17 ASP CB C 17 40.200 41.847 -1.647 1
1 178 . 2 1 1 A 17 17 ASP N N 17 126.400 125.836 0.564 1
1 179 . 2 1 1 A 18 18 THR H H 18 7.710 7.735 -0.025 1
1 180 . 2 1 1 A 18 18 THR HA H 18 5.120 5.494 -0.374 1
1 185 . 2 1 1 A 18 18 THR C C 18 171.900 173.119 -1.219 1
1 186 . 2 1 1 A 18 18 THR CA C 18 60.400 61.228 -0.828 1
1 187 . 2 1 1 A 18 18 THR CB C 18 72.300 72.725 -0.425 1
1 189 . 2 1 1 A 18 18 THR N N 18 112.300 113.277 -0.977 1
1 190 . 2 1 1 A 19 19 ALA H H 19 9.090 9.477 -0.387 1
1 191 . 2 1 1 A 19 19 ALA HA H 19 5.250 5.115 0.135 1
1 195 . 2 1 1 A 19 19 ALA C C 19 175.000 175.737 -0.737 1
1 196 . 2 1 1 A 19 19 ALA CA C 19 50.300 50.223 0.077 1
1 197 . 2 1 1 A 19 19 ALA CB C 19 23.900 20.561 3.339 1
1 198 . 2 1 1 A 19 19 ALA N N 19 123.300 127.487 -4.187 1
1 199 . 2 1 1 A 20 20 HIS H H 20 9.130 9.426 -0.296 1
1 200 . 2 1 1 A 20 20 HIS HA H 20 5.550 4.920 0.630 1
1 205 . 2 1 1 A 20 20 HIS C C 20 173.100 173.951 -0.851 1
1 206 . 2 1 1 A 20 20 HIS CA C 20 54.700 55.416 -0.716 1
1 207 . 2 1 1 A 20 20 HIS CB C 20 31.900 30.992 0.908 1
1 210 . 2 1 1 A 20 20 HIS N N 20 120.000 125.608 -5.608 1
1 211 . 2 1 1 A 21 21 CYS H H 21 8.910 8.704 0.206 1
1 212 . 2 1 1 A 21 21 CYS HA H 21 4.700 4.422 0.278 1
1 215 . 2 1 1 A 21 21 CYS C C 21 176.400 176.346 0.054 1
1 216 . 2 1 1 A 21 21 CYS CA C 21 57.900 58.556 -0.656 1
1 217 . 2 1 1 A 21 21 CYS CB C 21 31.700 28.636 3.064 1
1 218 . 2 1 1 A 21 21 CYS N N 21 129.200 127.794 1.406 1
1 219 . 2 1 1 A 22 22 GLU H H 22 9.030 8.925 0.105 1
1 220 . 2 1 1 A 22 22 GLU HA H 22 4.130 4.138 -0.008 1
1 225 . 2 1 1 A 22 22 GLU C C 22 177.400 175.439 1.961 1
1 226 . 2 1 1 A 22 22 GLU CA C 22 58.200 58.366 -0.166 1
1 227 . 2 1 1 A 22 22 GLU CB C 22 29.500 28.763 0.737 1
1 229 . 2 1 1 A 22 22 GLU N N 22 128.800 126.265 2.535 1
1 230 . 2 1 1 A 23 23 THR H H 23 8.360 7.404 0.956 1
1 231 . 2 1 1 A 23 23 THR HA H 23 3.920 4.427 -0.507 1
1 236 . 2 1 1 A 23 23 THR C C 23 176.500 175.432 1.068 1
1 237 . 2 1 1 A 23 23 THR CA C 23 66.800 63.553 3.247 1
1 238 . 2 1 1 A 23 23 THR CB C 23 69.100 70.651 -1.551 1
1 240 . 2 1 1 A 23 23 THR N N 23 119.800 111.497 8.303 1
1 241 . 2 1 1 A 24 24 CYS H H 24 9.570 7.971 1.599 1
1 242 . 2 1 1 A 24 24 CYS HA H 24 3.880 4.491 -0.611 1
1 245 . 2 1 1 A 24 24 CYS C C 24 174.900 173.684 1.216 1
1 246 . 2 1 1 A 24 24 CYS CA C 24 62.000 58.859 3.141 1
1 247 . 2 1 1 A 24 24 CYS CB C 24 30.300 27.731 2.569 1
1 248 . 2 1 1 A 24 24 CYS N N 24 123.600 118.105 5.495 1
1 249 . 2 1 1 A 25 25 ALA H H 25 7.720 7.937 -0.217 1
1 250 . 2 1 1 A 25 25 ALA HA H 25 3.820 3.763 0.057 1
1 254 . 2 1 1 A 25 25 ALA C C 25 175.400 175.617 -0.217 1
1 255 . 2 1 1 A 25 25 ALA CA C 25 52.500 53.358 -0.858 1
1 256 . 2 1 1 A 25 25 ALA CB C 25 16.000 17.727 -1.727 1
1 257 . 2 1 1 A 25 25 ALA N N 25 121.400 121.844 -0.444 1
1 258 . 2 1 1 A 26 26 LYS H H 26 6.910 7.528 -0.618 1
1 259 . 2 1 1 A 26 26 LYS HA H 26 4.450 4.605 -0.155 1
1 268 . 2 1 1 A 26 26 LYS CA C 26 54.600 55.130 -0.530 1
1 269 . 2 1 1 A 26 26 LYS CB C 26 37.900 34.364 3.536 1
1 273 . 2 1 1 A 26 26 LYS N N 26 116.100 117.447 -1.347 1
1 274 . 2 1 1 A 27 27 ASP HA H 27 5.610 5.516 0.094 1
1 277 . 2 1 1 A 27 27 ASP C C 27 174.400 175.130 -0.730 1
1 278 . 2 1 1 A 27 27 ASP CA C 27 53.000 52.511 0.489 1
1 279 . 2 1 1 A 27 27 ASP CB C 27 44.200 43.373 0.827 1
1 280 . 2 1 1 A 28 28 PHE H H 28 9.200 9.601 -0.401 1
1 281 . 2 1 1 A 28 28 PHE HA H 28 4.890 5.075 -0.185 1
1 289 . 2 1 1 A 28 28 PHE C C 28 175.500 175.852 -0.352 1
1 290 . 2 1 1 A 28 28 PHE CA C 28 56.800 56.370 0.430 1
1 291 . 2 1 1 A 28 28 PHE CB C 28 42.900 41.513 1.387 1
1 297 . 2 1 1 A 28 28 PHE N N 28 118.100 122.316 -4.216 1
1 298 . 2 1 1 A 29 29 SER H H 29 9.070 8.968 0.102 1
1 299 . 2 1 1 A 29 29 SER HA H 29 4.750 4.912 -0.162 1
1 302 . 2 1 1 A 29 29 SER C C 29 173.400 174.045 -0.645 1
1 303 . 2 1 1 A 29 29 SER CA C 29 58.400 58.511 -0.111 1
1 304 . 2 1 1 A 29 29 SER CB C 29 64.100 64.111 -0.011 1
1 305 . 2 1 1 A 29 29 SER N N 29 118.400 118.747 -0.347 1
1 306 . 2 1 1 A 30 30 LEU H H 30 8.180 9.476 -1.296 1
1 307 . 2 1 1 A 30 30 LEU HA H 30 5.200 5.238 -0.038 1
1 317 . 2 1 1 A 30 30 LEU CA C 30 53.100 53.446 -0.346 1
1 318 . 2 1 1 A 30 30 LEU CB C 30 44.800 45.293 -0.493 1
1 322 . 2 1 1 A 30 30 LEU N N 30 122.200 126.878 -4.678 1
1 323 . 2 1 1 A 31 31 GLN HA H 31 4.680 4.781 -0.101 1
1 328 . 2 1 1 A 31 31 GLN C C 31 173.600 174.787 -1.187 1
1 329 . 2 1 1 A 31 31 GLN CA C 31 54.200 53.846 0.354 1
1 330 . 2 1 1 A 31 31 GLN CB C 31 31.800 32.193 -0.393 1
1 332 . 2 1 1 A 32 32 ALA H H 32 8.560 8.156 0.404 1
1 333 . 2 1 1 A 32 32 ALA HA H 32 3.990 3.884 0.106 1
1 337 . 2 1 1 A 32 32 ALA C C 32 175.600 176.805 -1.205 1
1 338 . 2 1 1 A 32 32 ALA CA C 32 50.900 51.161 -0.261 1
1 339 . 2 1 1 A 32 32 ALA CB C 32 20.300 18.347 1.953 1
1 340 . 2 1 1 A 32 32 ALA N N 32 128.100 127.077 1.023 1
1 341 . 2 1 1 A 33 33 LEU H H 33 8.740 8.825 -0.085 1
1 342 . 2 1 1 A 33 33 LEU HA H 33 4.560 4.825 -0.265 1
1 352 . 2 1 1 A 33 33 LEU C C 33 175.400 176.162 -0.762 1
1 353 . 2 1 1 A 33 33 LEU CA C 33 52.700 53.458 -0.758 1
1 354 . 2 1 1 A 33 33 LEU CB C 33 44.200 44.177 0.023 1
1 358 . 2 1 1 A 33 33 LEU N N 33 124.500 123.210 1.290 1
1 359 . 2 1 1 A 34 34 CYS H H 34 8.260 8.566 -0.306 1
1 360 . 2 1 1 A 34 34 CYS HA H 34 4.270 4.787 -0.517 1
1 363 . 2 1 1 A 34 34 CYS CA C 34 56.900 56.056 0.844 1
1 364 . 2 1 1 A 34 34 CYS CB C 34 31.400 29.471 1.929 1
1 365 . 2 1 1 A 34 34 CYS N N 34 123.600 121.461 2.139 1
1 366 . 2 1 1 A 35 35 PRO HA H 35 4.290 4.282 0.008 1
1 373 . 2 1 1 A 35 35 PRO C C 35 176.100 178.115 -2.015 1
1 374 . 2 1 1 A 35 35 PRO CA C 35 63.700 65.544 -1.844 1
1 375 . 2 1 1 A 35 35 PRO CB C 35 31.600 31.861 -0.261 1
1 378 . 2 1 1 A 36 36 ASP H H 36 8.980 8.271 0.709 1
1 379 . 2 1 1 A 36 36 ASP HA H 36 4.600 4.542 0.058 1
1 382 . 2 1 1 A 36 36 ASP C C 36 176.500 175.961 0.539 1
1 383 . 2 1 1 A 36 36 ASP CA C 36 56.400 55.964 0.436 1
1 384 . 2 1 1 A 36 36 ASP CB C 36 40.100 40.980 -0.880 1
1 385 . 2 1 1 A 36 36 ASP N N 36 122.200 114.954 7.246 1
1 386 . 2 1 1 A 37 37 CYS H H 37 7.840 7.894 -0.054 1
1 387 . 2 1 1 A 37 37 CYS HA H 37 5.000 4.352 0.648 1
1 390 . 2 1 1 A 37 37 CYS C C 37 175.400 174.732 0.668 1
1 391 . 2 1 1 A 37 37 CYS CA C 37 58.400 60.030 -1.630 1
1 392 . 2 1 1 A 37 37 CYS CB C 37 32.300 27.597 4.703 1
1 393 . 2 1 1 A 37 37 CYS N N 37 116.000 117.995 -1.995 1
1 394 . 2 1 1 A 38 38 ARG H H 38 7.880 8.569 -0.689 1
1 395 . 2 1 1 A 38 38 ARG HA H 38 4.050 4.455 -0.405 1
1 402 . 2 1 1 A 38 38 ARG C C 38 173.700 176.427 -2.727 1
1 403 . 2 1 1 A 38 38 ARG CA C 38 58.100 55.659 2.441 1
1 404 . 2 1 1 A 38 38 ARG CB C 38 27.400 30.057 -2.657 1
1 407 . 2 1 1 A 38 38 ARG N N 38 117.700 125.003 -7.303 1
1 408 . 2 1 1 A 39 39 GLN H H 39 7.720 7.799 -0.079 1
1 409 . 2 1 1 A 39 39 GLN HA H 39 4.710 4.495 0.215 1
1 414 . 2 1 1 A 39 39 GLN CA C 39 53.900 56.751 -2.851 1
1 415 . 2 1 1 A 39 39 GLN CB C 39 28.100 30.905 -2.805 1
1 417 . 2 1 1 A 39 39 GLN N N 39 117.500 116.601 0.899 1
1 418 . 2 1 1 A 40 40 PRO HA H 40 4.570 4.584 -0.014 1
1 425 . 2 1 1 A 40 40 PRO C C 40 176.600 176.013 0.587 1
1 426 . 2 1 1 A 40 40 PRO CA C 40 63.700 63.186 0.514 1
1 427 . 2 1 1 A 40 40 PRO CB C 40 31.900 30.618 1.282 1
1 430 . 2 1 1 A 41 41 LEU H H 41 8.170 7.610 0.560 1
1 431 . 2 1 1 A 41 41 LEU HA H 41 4.460 4.425 0.035 1
1 441 . 2 1 1 A 41 41 LEU C C 41 177.200 177.018 0.182 1
1 442 . 2 1 1 A 41 41 LEU CA C 41 54.000 54.495 -0.495 1
1 443 . 2 1 1 A 41 41 LEU CB C 41 43.200 42.652 0.548 1
1 447 . 2 1 1 A 41 41 LEU N N 41 124.100 123.384 0.716 1
1 448 . 2 1 1 A 42 42 GLN H H 42 9.240 8.495 0.745 1
1 449 . 2 1 1 A 42 42 GLN HA H 42 4.490 4.448 0.042 1
1 454 . 2 1 1 A 42 42 GLN C C 42 175.000 175.687 -0.687 1
1 455 . 2 1 1 A 42 42 GLN CA C 42 55.300 55.945 -0.645 1
1 456 . 2 1 1 A 42 42 GLN CB C 42 29.600 29.359 0.241 1
1 458 . 2 1 1 A 42 42 GLN N N 42 122.100 122.975 -0.875 1
1 459 . 2 1 1 A 43 43 VAL H H 43 8.600 8.834 -0.234 1
1 460 . 2 1 1 A 43 43 VAL HA H 43 4.260 4.088 0.172 1
1 468 . 2 1 1 A 43 43 VAL C C 43 175.500 175.044 0.456 1
1 469 . 2 1 1 A 43 43 VAL CA C 43 62.100 62.070 0.030 1
1 470 . 2 1 1 A 43 43 VAL CB C 43 32.000 30.769 1.231 1
1 473 . 2 1 1 A 43 43 VAL N N 43 126.400 124.391 2.009 1
1 474 . 2 1 1 A 44 44 LEU H H 44 8.940 9.079 -0.139 1
1 475 . 2 1 1 A 44 44 LEU HA H 44 4.510 4.758 -0.248 1
1 485 . 2 1 1 A 44 44 LEU C C 44 175.500 175.817 -0.317 1
1 486 . 2 1 1 A 44 44 LEU CA C 44 53.400 54.367 -0.967 1
1 487 . 2 1 1 A 44 44 LEU CB C 44 42.800 40.732 2.068 1
1 491 . 2 1 1 A 44 44 LEU N N 44 130.200 129.114 1.086 1
1 492 . 2 1 1 A 45 45 LYS H H 45 8.520 8.425 0.095 1
1 493 . 2 1 1 A 45 45 LYS HA H 45 4.830 4.798 0.032 1
1 502 . 2 1 1 A 45 45 LYS C C 45 175.600 175.824 -0.224 1
1 503 . 2 1 1 A 45 45 LYS CA C 45 55.700 55.567 0.133 1
1 504 . 2 1 1 A 45 45 LYS CB C 45 33.500 32.619 0.881 1
1 508 . 2 1 1 A 45 45 LYS N N 45 123.700 124.707 -1.007 1
1 509 . 2 1 1 A 46 46 ALA H H 46 8.220 8.130 0.090 1
1 510 . 2 1 1 A 46 46 ALA HA H 46 4.540 4.678 -0.138 1
1 514 . 2 1 1 A 46 46 ALA C C 46 176.900 177.633 -0.733 1
1 515 . 2 1 1 A 46 46 ALA CA C 46 51.900 50.101 1.799 1
1 516 . 2 1 1 A 46 46 ALA CB C 46 20.700 21.874 -1.174 1
1 517 . 2 1 1 A 46 46 ALA N N 46 126.400 127.293 -0.893 1
1 518 . 2 1 1 A 47 47 CYS H H 47 9.200 8.832 0.368 1
1 519 . 2 1 1 A 47 47 CYS HA H 47 4.080 4.112 -0.032 1
1 522 . 2 1 1 A 47 47 CYS C C 47 175.100 177.426 -2.326 1
1 523 . 2 1 1 A 47 47 CYS CA C 47 59.700 62.847 -3.147 1
1 524 . 2 1 1 A 47 47 CYS CB C 47 25.800 26.826 -1.026 1
1 525 . 2 1 1 A 47 47 CYS N N 47 120.400 116.121 4.279 1
1 526 . 2 1 1 A 48 48 GLY H H 48 8.620 8.428 0.192 1
1 527 . 2 1 1 A 48 48 GLY HA2 H 48 3.670 3.741 -0.071 1
1 528 . 2 1 1 A 48 48 GLY HA3 H 48 4.070 3.749 0.321 1
1 529 . 2 1 1 A 48 48 GLY C C 48 173.100 174.083 -0.983 1
1 530 . 2 1 1 A 48 48 GLY CA C 48 45.500 47.328 -1.828 1
1 531 . 2 1 1 A 48 48 GLY N N 48 109.000 108.929 0.071 1
1 532 . 2 1 1 A 49 49 ALA H H 49 7.820 7.481 0.339 1
1 533 . 2 1 1 A 49 49 ALA HA H 49 4.620 4.488 0.132 1
1 537 . 2 1 1 A 49 49 ALA C C 49 176.000 175.135 0.865 1
1 538 . 2 1 1 A 49 49 ALA CA C 49 51.000 51.577 -0.577 1
1 539 . 2 1 1 A 49 49 ALA CB C 49 21.300 21.660 -0.360 1
1 540 . 2 1 1 A 49 49 ALA N N 49 124.000 117.897 6.103 1
1 541 . 2 1 1 A 50 50 VAL H H 50 8.100 8.638 -0.538 1
1 542 . 2 1 1 A 50 50 VAL HA H 50 4.560 4.998 -0.438 1
1 550 . 2 1 1 A 50 50 VAL C C 50 174.300 174.230 0.070 1
1 551 . 2 1 1 A 50 50 VAL CA C 50 61.400 60.602 0.798 1
1 552 . 2 1 1 A 50 50 VAL CB C 50 33.800 32.828 0.972 1
1 555 . 2 1 1 A 50 50 VAL N N 50 119.600 115.240 4.360 1
1 556 . 2 1 1 A 51 51 ASP H H 51 8.640 9.134 -0.494 1
1 557 . 2 1 1 A 51 51 ASP HA H 51 5.030 5.178 -0.148 1
1 560 . 2 1 1 A 51 51 ASP C C 51 173.000 174.699 -1.699 1
1 561 . 2 1 1 A 51 51 ASP CA C 51 52.000 53.650 -1.650 1
1 562 . 2 1 1 A 51 51 ASP CB C 51 43.900 42.130 1.770 1
1 563 . 2 1 1 A 51 51 ASP N N 51 124.900 127.978 -3.078 1
1 564 . 2 1 1 A 52 52 TYR H H 52 8.950 9.190 -0.240 1
1 565 . 2 1 1 A 52 52 TYR HA H 52 5.150 5.341 -0.191 1
1 572 . 2 1 1 A 52 52 TYR C C 52 174.500 174.825 -0.325 1
1 573 . 2 1 1 A 52 52 TYR CA C 52 57.300 57.253 0.047 1
1 574 . 2 1 1 A 52 52 TYR CB C 52 41.200 38.018 3.182 1
1 579 . 2 1 1 A 52 52 TYR N N 52 118.500 123.595 -5.095 1
1 580 . 2 1 1 A 53 53 PHE H H 53 9.250 8.691 0.559 1
1 581 . 2 1 1 A 53 53 PHE HA H 53 5.040 4.963 0.077 1
1 588 . 2 1 1 A 53 53 PHE C C 53 173.200 174.265 -1.065 1
1 589 . 2 1 1 A 53 53 PHE CA C 53 56.400 57.574 -1.174 1
1 590 . 2 1 1 A 53 53 PHE CB C 53 44.300 42.133 2.167 1
1 595 . 2 1 1 A 53 53 PHE N N 53 123.100 124.520 -1.420 1
1 596 . 2 1 1 A 54 54 CYS H H 54 9.160 8.828 0.332 1
1 597 . 2 1 1 A 54 54 CYS HA H 54 4.690 4.423 0.267 1
1 600 . 2 1 1 A 54 54 CYS C C 54 175.700 174.779 0.921 1
1 601 . 2 1 1 A 54 54 CYS CA C 54 58.200 57.979 0.221 1
1 602 . 2 1 1 A 54 54 CYS CB C 54 29.600 25.806 3.794 1
1 603 . 2 1 1 A 54 54 CYS N N 54 130.800 126.103 4.697 1
1 604 . 2 1 1 A 55 55 GLN H H 55 9.260 8.901 0.359 1
1 605 . 2 1 1 A 55 55 GLN HA H 55 4.300 4.439 -0.139 1
1 610 . 2 1 1 A 55 55 GLN C C 55 174.400 175.353 -0.953 1
1 611 . 2 1 1 A 55 55 GLN CA C 55 56.900 57.322 -0.422 1
1 612 . 2 1 1 A 55 55 GLN CB C 55 28.900 30.309 -1.409 1
1 614 . 2 1 1 A 55 55 GLN N N 55 129.000 127.715 1.285 1
1 615 . 2 1 1 A 56 56 ASN H H 56 9.100 7.952 1.148 1
1 616 . 2 1 1 A 56 56 ASN HA H 56 4.860 5.042 -0.182 1
1 619 . 2 1 1 A 56 56 ASN C C 56 174.100 175.815 -1.715 1
1 620 . 2 1 1 A 56 56 ASN CA C 56 52.100 52.051 0.049 1
1 621 . 2 1 1 A 56 56 ASN CB C 56 39.500 41.449 -1.949 1
1 622 . 2 1 1 A 56 56 ASN N N 56 122.300 115.438 6.862 1
1 623 . 2 1 1 A 57 57 GLY H H 57 7.180 8.668 -1.488 1
1 624 . 2 1 1 A 57 57 GLY HA2 H 57 3.450 3.960 -0.510 1
1 625 . 2 1 1 A 57 57 GLY HA3 H 57 4.000 3.969 0.031 1
1 626 . 2 1 1 A 57 57 GLY C C 57 175.800 174.827 0.973 1
1 627 . 2 1 1 A 57 57 GLY CA C 57 45.100 46.350 -1.250 1
1 628 . 2 1 1 A 57 57 GLY N N 57 104.200 109.328 -5.128 1
1 629 . 2 1 1 A 58 58 HIS H H 58 7.380 8.235 -0.855 1
1 630 . 2 1 1 A 58 58 HIS HA H 58 4.620 4.475 0.145 1
1 633 . 2 1 1 A 58 58 HIS C C 58 174.100 175.277 -1.177 1
1 634 . 2 1 1 A 58 58 HIS CA C 58 59.600 58.154 1.446 1
1 635 . 2 1 1 A 58 58 HIS CB C 58 30.100 31.054 -0.954 1
1 636 . 2 1 1 A 58 58 HIS N N 58 116.000 122.628 -6.628 1
1 637 . 2 1 1 A 59 59 GLY H H 59 7.610 7.297 0.313 1
1 638 . 2 1 1 A 59 59 GLY HA2 H 59 2.930 3.844 -0.914 1
1 639 . 2 1 1 A 59 59 GLY HA3 H 59 3.700 3.909 -0.209 1
1 640 . 2 1 1 A 59 59 GLY C C 59 173.100 172.811 0.289 1
1 641 . 2 1 1 A 59 59 GLY CA C 59 45.500 45.453 0.047 1
1 642 . 2 1 1 A 59 59 GLY N N 59 108.000 104.902 3.098 1
1 643 . 2 1 1 A 60 60 LEU H H 60 8.450 8.567 -0.117 1
1 644 . 2 1 1 A 60 60 LEU HA H 60 4.620 4.185 0.435 1
1 654 . 2 1 1 A 60 60 LEU C C 60 176.800 176.224 0.576 1
1 655 . 2 1 1 A 60 60 LEU CA C 60 55.700 54.338 1.362 1
1 656 . 2 1 1 A 60 60 LEU CB C 60 42.200 42.010 0.190 1
1 660 . 2 1 1 A 60 60 LEU N N 60 124.300 120.327 3.973 1
1 661 . 2 1 1 A 61 61 ILE H H 61 8.740 7.986 0.754 1
1 662 . 2 1 1 A 61 61 ILE HA H 61 4.200 3.998 0.202 1
1 672 . 2 1 1 A 61 61 ILE C C 61 175.500 175.510 -0.010 1
1 673 . 2 1 1 A 61 61 ILE CA C 61 57.000 60.649 -3.649 1
1 674 . 2 1 1 A 61 61 ILE CB C 61 37.400 37.947 -0.547 1
1 678 . 2 1 1 A 61 61 ILE N N 61 128.500 125.984 2.516 1
1 679 . 2 1 1 A 62 62 SER H H 62 8.490 8.618 -0.128 1
1 680 . 2 1 1 A 62 62 SER HA H 62 4.380 4.484 -0.104 1
1 683 . 2 1 1 A 62 62 SER C C 62 176.500 176.451 0.049 1
1 684 . 2 1 1 A 62 62 SER CA C 62 58.300 58.847 -0.547 1
1 685 . 2 1 1 A 62 62 SER CB C 62 63.500 63.569 -0.069 1
1 686 . 2 1 1 A 62 62 SER N N 62 121.700 123.109 -1.409 1
1 687 . 2 1 1 A 63 63 LYS H H 63 9.040 9.206 -0.166 1
1 688 . 2 1 1 A 63 63 LYS HA H 63 3.910 4.463 -0.553 1
1 697 . 2 1 1 A 63 63 LYS C C 63 178.200 177.616 0.584 1
1 698 . 2 1 1 A 63 63 LYS CA C 63 60.300 58.583 1.717 1
1 699 . 2 1 1 A 63 63 LYS CB C 63 32.000 32.385 -0.385 1
1 703 . 2 1 1 A 63 63 LYS N N 63 126.000 129.252 -3.252 1
1 704 . 2 1 1 A 64 64 LYS H H 64 8.090 7.576 0.514 1
1 705 . 2 1 1 A 64 64 LYS HA H 64 4.190 4.183 0.007 1
1 714 . 2 1 1 A 64 64 LYS C C 64 177.000 177.545 -0.545 1
1 715 . 2 1 1 A 64 64 LYS CA C 64 58.000 57.468 0.532 1
1 716 . 2 1 1 A 64 64 LYS CB C 64 32.300 32.868 -0.568 1
1 720 . 2 1 1 A 64 64 LYS N N 64 115.400 118.837 -3.437 1
1 721 . 2 1 1 A 65 65 ARG H H 65 7.960 7.874 0.086 1
1 722 . 2 1 1 A 65 65 ARG HA H 65 4.280 4.414 -0.134 1
1 729 . 2 1 1 A 65 65 ARG C C 65 176.000 175.874 0.126 1
1 730 . 2 1 1 A 65 65 ARG CA C 65 55.900 55.905 -0.005 1
1 731 . 2 1 1 A 65 65 ARG CB C 65 32.000 32.472 -0.472 1
1 734 . 2 1 1 A 65 65 ARG N N 65 116.600 116.932 -0.332 1
1 735 . 2 1 1 A 66 66 VAL H H 66 6.810 7.619 -0.809 1
1 736 . 2 1 1 A 66 66 VAL HA H 66 2.800 4.049 -1.249 1
1 744 . 2 1 1 A 66 66 VAL C C 66 174.500 176.054 -1.554 1
1 745 . 2 1 1 A 66 66 VAL CA C 66 65.000 62.001 2.999 1
1 746 . 2 1 1 A 66 66 VAL CB C 66 32.000 32.566 -0.566 1
1 749 . 2 1 1 A 66 66 VAL N N 66 119.600 117.214 2.386 1
1 750 . 2 1 1 A 67 67 ASN H H 67 7.270 8.770 -1.500 1
1 751 . 2 1 1 A 67 67 ASN HA H 67 4.840 5.159 -0.319 1
1 756 . 2 1 1 A 67 67 ASN C C 67 173.200 174.318 -1.118 1
1 757 . 2 1 1 A 67 67 ASN CA C 67 51.200 52.726 -1.526 1
1 758 . 2 1 1 A 67 67 ASN CB C 67 39.100 38.241 0.859 1
1 759 . 2 1 1 A 67 67 ASN N N 67 123.500 123.178 0.322 1
1 761 . 2 1 1 A 68 68 PHE H H 68 8.180 8.652 -0.472 1
1 762 . 2 1 1 A 68 68 PHE HA H 68 5.170 5.022 0.148 1
1 770 . 2 1 1 A 68 68 PHE C C 68 175.300 175.450 -0.150 1
1 771 . 2 1 1 A 68 68 PHE CA C 68 58.000 57.975 0.025 1
1 772 . 2 1 1 A 68 68 PHE CB C 68 41.100 38.381 2.719 1
1 778 . 2 1 1 A 68 68 PHE N N 68 123.300 124.279 -0.979 1
1 779 . 2 1 1 A 69 69 VAL H H 69 8.660 8.568 0.092 1
1 780 . 2 1 1 A 69 69 VAL HA H 69 4.520 4.955 -0.435 1
1 788 . 2 1 1 A 69 69 VAL C C 69 175.100 174.779 0.321 1
1 789 . 2 1 1 A 69 69 VAL CA C 69 59.200 59.057 0.143 1
1 790 . 2 1 1 A 69 69 VAL CB C 69 35.100 35.465 -0.365 1
1 793 . 2 1 1 A 69 69 VAL N N 69 116.500 117.619 -1.119 1
1 794 . 2 1 1 A 70 70 ILE H H 70 8.480 8.995 -0.515 1
1 795 . 2 1 1 A 70 70 ILE HA H 70 4.350 4.485 -0.135 1
1 805 . 2 1 1 A 70 70 ILE C C 70 176.400 176.563 -0.163 1
1 806 . 2 1 1 A 70 70 ILE CA C 70 61.300 61.388 -0.088 1
1 807 . 2 1 1 A 70 70 ILE CB C 70 38.200 36.022 2.178 1
1 811 . 2 1 1 A 70 70 ILE N N 70 123.100 124.674 -1.574 1
1 812 . 2 1 1 A 71 71 SER H H 71 8.770 8.373 0.397 1
1 813 . 2 1 1 A 71 71 SER HA H 71 4.550 4.454 0.096 1
1 816 . 2 1 1 A 71 71 SER C C 71 174.200 173.757 0.443 1
1 817 . 2 1 1 A 71 71 SER CA C 71 57.700 59.037 -1.337 1
1 818 . 2 1 1 A 71 71 SER CB C 71 64.100 63.370 0.730 1
1 819 . 2 1 1 A 71 71 SER N N 71 122.200 120.354 1.846 1
1 820 . 2 1 1 A 72 72 ASP H H 72 8.470 7.560 0.910 1
1 821 . 2 1 1 A 72 72 ASP HA H 72 4.720 4.805 -0.085 1
1 824 . 2 1 1 A 72 72 ASP C C 72 176.100 174.914 1.186 1
1 825 . 2 1 1 A 72 72 ASP CA C 72 54.200 53.434 0.766 1
1 826 . 2 1 1 A 72 72 ASP CB C 72 41.200 41.351 -0.151 1
1 827 . 2 1 1 A 72 72 ASP N N 72 122.700 121.755 0.945 1
1 828 . 2 1 1 A 73 73 GLN H H 73 8.490 8.791 -0.301 1
1 829 . 2 1 1 A 73 73 GLN HA H 73 4.310 5.017 -0.707 1
1 834 . 2 1 1 A 73 73 GLN C C 73 176.000 173.717 2.283 1
1 835 . 2 1 1 A 73 73 GLN CA C 73 56.100 53.851 2.249 1
1 836 . 2 1 1 A 73 73 GLN CB C 73 29.200 32.699 -3.499 1
1 838 . 2 1 1 A 73 73 GLN N N 73 120.300 123.151 -2.851 1
1 839 . 2 1 1 A 74 74 LEU H H 74 8.250 8.927 -0.677 1
1 840 . 2 1 1 A 74 74 LEU HA H 74 4.250 5.003 -0.753 1
1 850 . 2 1 1 A 74 74 LEU C C 74 177.100 175.891 1.209 1
1 851 . 2 1 1 A 74 74 LEU CA C 74 55.200 53.659 1.541 1
1 852 . 2 1 1 A 74 74 LEU CB C 74 42.100 43.111 -1.011 1
1 856 . 2 1 1 A 74 74 LEU N N 74 123.000 122.445 0.555 1
1 857 . 2 1 1 A 75 75 GLU H H 75 8.260 8.882 -0.622 1
1 858 . 2 1 1 A 75 75 GLU HA H 75 4.170 4.967 -0.797 1
1 863 . 2 1 1 A 75 75 GLU C C 75 176.200 176.413 -0.213 1
1 864 . 2 1 1 A 75 75 GLU CA C 75 56.300 55.271 1.029 1
1 865 . 2 1 1 A 75 75 GLU CB C 75 29.800 32.372 -2.572 1
1 867 . 2 1 1 A 75 75 GLU N N 75 120.700 124.480 -3.780 1
1 868 . 2 1 1 A 76 76 HIS H H 76 8.480 8.645 -0.165 1
1 869 . 2 1 1 A 76 76 HIS HA H 76 4.610 4.914 -0.304 1
1 872 . 2 1 1 A 76 76 HIS C C 76 174.200 174.701 -0.501 1
1 873 . 2 1 1 A 76 76 HIS CA C 76 55.100 55.795 -0.695 1
1 874 . 2 1 1 A 76 76 HIS CB C 76 28.700 32.242 -3.542 1
1 875 . 2 1 1 A 76 76 HIS N N 76 119.100 117.565 1.535 1
1 876 . 2 1 1 A 77 77 HIS H H 77 8.540 6.986 1.554 1
1 877 . 2 1 1 A 77 77 HIS HA H 77 4.620 4.648 -0.028 1
1 880 . 2 1 1 A 77 77 HIS C C 77 174.100 174.962 -0.862 1
1 881 . 2 1 1 A 77 77 HIS CA C 77 55.300 55.137 0.163 1
1 882 . 2 1 1 A 77 77 HIS CB C 77 28.900 30.722 -1.822 1
1 883 . 2 1 1 A 77 77 HIS N N 77 118.700 118.578 0.122 1
1 884 . 2 1 1 A 78 78 HIS H H 78 8.630 8.854 -0.224 1
1 885 . 2 1 1 A 78 78 HIS HA H 78 4.660 4.733 -0.073 1
1 888 . 2 1 1 A 78 78 HIS C C 78 174.100 174.543 -0.443 1
1 889 . 2 1 1 A 78 78 HIS CA C 78 55.200 57.962 -2.762 1
1 890 . 2 1 1 A 78 78 HIS CB C 78 29.100 29.374 -0.274 1
1 891 . 2 1 1 A 78 78 HIS N N 78 119.500 119.134 0.366 1
1 892 . 2 1 1 A 79 79 HIS H H 79 8.690 8.055 0.635 1
1 893 . 2 1 1 A 79 79 HIS HA H 79 4.660 4.731 -0.071 1
1 896 . 2 1 1 A 79 79 HIS C C 79 173.900 173.939 -0.039 1
1 897 . 2 1 1 A 79 79 HIS CA C 79 55.200 56.929 -1.729 1
1 898 . 2 1 1 A 79 79 HIS CB C 79 29.100 31.243 -2.143 1
1 899 . 2 1 1 A 79 79 HIS N N 79 120.400 120.398 0.002 1
1 900 . 2 1 1 A 80 80 HIS H H 80 8.590 7.703 0.887 1
1 901 . 2 1 1 A 80 80 HIS HA H 80 4.630 4.781 -0.151 1
1 904 . 2 1 1 A 80 80 HIS C C 80 173.400 172.403 0.997 1
1 905 . 2 1 1 A 80 80 HIS CA C 80 55.400 56.003 -0.603 1
1 906 . 2 1 1 A 80 80 HIS CB C 80 29.300 32.947 -3.647 1
1 907 . 2 1 1 A 80 80 HIS N N 80 120.600 116.682 3.918 1
1 7 . 3 1 1 A 2 2 GLU H H 2 8.850 7.769 1.081 1
1 8 . 3 1 1 A 2 2 GLU HA H 2 4.450 4.822 -0.372 1
1 13 . 3 1 1 A 2 2 GLU C C 2 175.400 176.360 -0.960 1
1 14 . 3 1 1 A 2 2 GLU CA C 2 55.900 54.219 1.681 1
1 15 . 3 1 1 A 2 2 GLU CB C 2 30.300 32.865 -2.565 1
1 17 . 3 1 1 A 2 2 GLU N N 2 123.600 115.160 8.440 1
1 18 . 3 1 1 A 3 3 ILE H H 3 8.590 8.876 -0.286 1
1 19 . 3 1 1 A 3 3 ILE HA H 3 4.310 3.862 0.448 1
1 29 . 3 1 1 A 3 3 ILE C C 3 175.100 176.206 -1.106 1
1 30 . 3 1 1 A 3 3 ILE CA C 3 60.700 64.618 -3.918 1
1 31 . 3 1 1 A 3 3 ILE CB C 3 39.500 38.317 1.183 1
1 35 . 3 1 1 A 3 3 ILE N N 3 122.100 121.730 0.370 1
1 36 . 3 1 1 A 4 4 THR H H 4 8.130 7.829 0.301 1
1 37 . 3 1 1 A 4 4 THR HA H 4 4.540 4.546 -0.006 1
1 42 . 3 1 1 A 4 4 THR C C 4 173.000 173.002 -0.002 1
1 43 . 3 1 1 A 4 4 THR CA C 4 59.700 62.843 -3.143 1
1 44 . 3 1 1 A 4 4 THR CB C 4 71.400 67.811 3.589 1
1 46 . 3 1 1 A 4 4 THR N N 4 116.800 112.777 4.023 1
1 47 . 3 1 1 A 5 5 CYS H H 5 8.700 8.625 0.075 1
1 48 . 3 1 1 A 5 5 CYS HA H 5 3.960 4.373 -0.413 1
1 51 . 3 1 1 A 5 5 CYS CA C 5 56.800 57.017 -0.217 1
1 52 . 3 1 1 A 5 5 CYS CB C 5 32.000 28.787 3.213 1
1 53 . 3 1 1 A 5 5 CYS N N 5 125.600 125.194 0.406 1
1 54 . 3 1 1 A 6 6 PRO HA H 6 4.260 4.438 -0.178 1
1 61 . 3 1 1 A 6 6 PRO C C 6 176.000 177.652 -1.652 1
1 62 . 3 1 1 A 6 6 PRO CA C 6 63.900 65.693 -1.793 1
1 63 . 3 1 1 A 6 6 PRO CB C 6 32.100 31.759 0.341 1
1 66 . 3 1 1 A 7 7 VAL H H 7 9.210 8.428 0.782 1
1 67 . 3 1 1 A 7 7 VAL HA H 7 3.820 4.110 -0.290 1
1 75 . 3 1 1 A 7 7 VAL CA C 7 64.900 62.209 2.691 1
1 76 . 3 1 1 A 7 7 VAL CB C 7 32.200 31.721 0.479 1
1 79 . 3 1 1 A 7 7 VAL N N 7 122.500 114.923 7.577 1
1 80 . 3 1 1 A 8 8 CYS HA H 8 4.560 4.601 -0.041 1
1 83 . 3 1 1 A 8 8 CYS C C 8 176.800 175.064 1.736 1
1 84 . 3 1 1 A 8 8 CYS CA C 8 58.900 59.516 -0.616 1
1 85 . 3 1 1 A 8 8 CYS CB C 8 32.000 30.157 1.843 1
1 86 . 3 1 1 A 9 9 HIS H H 9 7.550 8.663 -1.113 1
1 87 . 3 1 1 A 9 9 HIS HA H 9 4.470 4.159 0.311 1
1 91 . 3 1 1 A 9 9 HIS CA C 9 56.900 57.286 -0.386 1
1 92 . 3 1 1 A 9 9 HIS CB C 9 25.900 26.801 -0.901 1
1 94 . 3 1 1 A 9 9 HIS N N 9 115.000 115.904 -0.904 1
1 95 . 3 1 1 A 10 10 HIS HA H 10 4.790 4.920 -0.130 1
1 100 . 3 1 1 A 10 10 HIS C C 10 174.700 173.973 0.727 1
1 101 . 3 1 1 A 10 10 HIS CA C 10 55.700 54.525 1.175 1
1 102 . 3 1 1 A 10 10 HIS CB C 10 29.800 34.148 -4.348 1
1 105 . 3 1 1 A 11 11 ALA H H 11 8.790 8.055 0.735 1
1 106 . 3 1 1 A 11 11 ALA HA H 11 4.310 4.174 0.136 1
1 110 . 3 1 1 A 11 11 ALA C C 11 177.800 177.491 0.309 1
1 111 . 3 1 1 A 11 11 ALA CA C 11 53.400 52.635 0.765 1
1 112 . 3 1 1 A 11 11 ALA CB C 11 18.600 19.233 -0.633 1
1 113 . 3 1 1 A 11 11 ALA N N 11 124.500 125.087 -0.587 1
1 114 . 3 1 1 A 12 12 LEU H H 12 8.480 8.691 -0.211 1
1 115 . 3 1 1 A 12 12 LEU HA H 12 4.640 4.904 -0.264 1
1 125 . 3 1 1 A 12 12 LEU C C 12 176.900 176.151 0.749 1
1 126 . 3 1 1 A 12 12 LEU CA C 12 53.500 53.656 -0.156 1
1 127 . 3 1 1 A 12 12 LEU CB C 12 44.100 43.136 0.964 1
1 131 . 3 1 1 A 12 12 LEU N N 12 121.200 121.986 -0.786 1
1 132 . 3 1 1 A 13 13 GLU H H 13 8.600 8.512 0.088 1
1 133 . 3 1 1 A 13 13 GLU HA H 13 4.590 4.599 -0.009 1
1 138 . 3 1 1 A 13 13 GLU C C 13 175.700 176.222 -0.522 1
1 139 . 3 1 1 A 13 13 GLU CA C 13 54.700 56.602 -1.902 1
1 140 . 3 1 1 A 13 13 GLU CB C 13 30.200 30.301 -0.101 1
1 142 . 3 1 1 A 13 13 GLU N N 13 120.300 125.543 -5.243 1
1 143 . 3 1 1 A 14 14 ARG H H 14 9.010 8.729 0.281 1
1 144 . 3 1 1 A 14 14 ARG HA H 14 4.460 4.518 -0.058 1
1 151 . 3 1 1 A 14 14 ARG C C 14 174.900 176.282 -1.382 1
1 152 . 3 1 1 A 14 14 ARG CA C 14 56.400 56.519 -0.119 1
1 153 . 3 1 1 A 14 14 ARG CB C 14 31.800 30.350 1.450 1
1 156 . 3 1 1 A 14 14 ARG N N 14 126.500 126.903 -0.403 1
1 157 . 3 1 1 A 15 15 ASN H H 15 8.670 9.254 -0.584 1
1 158 . 3 1 1 A 15 15 ASN HA H 15 4.850 4.943 -0.093 1
1 161 . 3 1 1 A 15 15 ASN C C 15 174.900 175.429 -0.529 1
1 162 . 3 1 1 A 15 15 ASN CA C 15 52.100 52.768 -0.668 1
1 163 . 3 1 1 A 15 15 ASN CB C 15 39.200 39.540 -0.340 1
1 164 . 3 1 1 A 15 15 ASN N N 15 125.100 124.726 0.374 1
1 165 . 3 1 1 A 16 16 GLY H H 16 8.880 8.121 0.759 1
1 166 . 3 1 1 A 16 16 GLY HA2 H 16 3.570 3.828 -0.258 1
1 167 . 3 1 1 A 16 16 GLY HA3 H 16 4.000 3.868 0.132 1
1 168 . 3 1 1 A 16 16 GLY C C 16 173.700 174.694 -0.994 1
1 169 . 3 1 1 A 16 16 GLY CA C 16 47.200 47.060 0.140 1
1 170 . 3 1 1 A 16 16 GLY N N 16 114.400 107.438 6.962 1
1 171 . 3 1 1 A 17 17 ASP H H 17 8.600 8.261 0.339 1
1 172 . 3 1 1 A 17 17 ASP HA H 17 4.600 4.504 0.096 1
1 175 . 3 1 1 A 17 17 ASP C C 17 174.800 175.565 -0.765 1
1 176 . 3 1 1 A 17 17 ASP CA C 17 53.800 56.158 -2.358 1
1 177 . 3 1 1 A 17 17 ASP CB C 17 40.200 41.505 -1.305 1
1 178 . 3 1 1 A 17 17 ASP N N 17 126.400 126.235 0.165 1
1 179 . 3 1 1 A 18 18 THR H H 18 7.710 7.634 0.076 1
1 180 . 3 1 1 A 18 18 THR HA H 18 5.120 4.943 0.177 1
1 185 . 3 1 1 A 18 18 THR C C 18 171.900 171.688 0.212 1
1 186 . 3 1 1 A 18 18 THR CA C 18 60.400 60.285 0.115 1
1 187 . 3 1 1 A 18 18 THR CB C 18 72.300 71.244 1.056 1
1 189 . 3 1 1 A 18 18 THR N N 18 112.300 111.517 0.783 1
1 190 . 3 1 1 A 19 19 ALA H H 19 9.090 9.484 -0.394 1
1 191 . 3 1 1 A 19 19 ALA HA H 19 5.250 5.332 -0.082 1
1 195 . 3 1 1 A 19 19 ALA C C 19 175.000 175.642 -0.642 1
1 196 . 3 1 1 A 19 19 ALA CA C 19 50.300 50.228 0.072 1
1 197 . 3 1 1 A 19 19 ALA CB C 19 23.900 20.976 2.924 1
1 198 . 3 1 1 A 19 19 ALA N N 19 123.300 127.558 -4.258 1
1 199 . 3 1 1 A 20 20 HIS H H 20 9.130 9.355 -0.225 1
1 200 . 3 1 1 A 20 20 HIS HA H 20 5.550 5.067 0.483 1
1 205 . 3 1 1 A 20 20 HIS C C 20 173.100 174.005 -0.905 1
1 206 . 3 1 1 A 20 20 HIS CA C 20 54.700 55.061 -0.361 1
1 207 . 3 1 1 A 20 20 HIS CB C 20 31.900 31.655 0.245 1
1 210 . 3 1 1 A 20 20 HIS N N 20 120.000 125.118 -5.118 1
1 211 . 3 1 1 A 21 21 CYS H H 21 8.910 8.236 0.674 1
1 212 . 3 1 1 A 21 21 CYS HA H 21 4.700 4.510 0.190 1
1 215 . 3 1 1 A 21 21 CYS C C 21 176.400 176.268 0.132 1
1 216 . 3 1 1 A 21 21 CYS CA C 21 57.900 58.813 -0.913 1
1 217 . 3 1 1 A 21 21 CYS CB C 21 31.700 29.220 2.480 1
1 218 . 3 1 1 A 21 21 CYS N N 21 129.200 127.821 1.379 1
1 219 . 3 1 1 A 22 22 GLU H H 22 9.030 8.886 0.144 1
1 220 . 3 1 1 A 22 22 GLU HA H 22 4.130 4.287 -0.157 1
1 225 . 3 1 1 A 22 22 GLU C C 22 177.400 176.811 0.589 1
1 226 . 3 1 1 A 22 22 GLU CA C 22 58.200 57.867 0.333 1
1 227 . 3 1 1 A 22 22 GLU CB C 22 29.500 30.504 -1.004 1
1 229 . 3 1 1 A 22 22 GLU N N 22 128.800 124.186 4.614 1
1 230 . 3 1 1 A 23 23 THR H H 23 8.360 7.652 0.708 1
1 231 . 3 1 1 A 23 23 THR HA H 23 3.920 4.499 -0.579 1
1 236 . 3 1 1 A 23 23 THR C C 23 176.500 174.043 2.457 1
1 237 . 3 1 1 A 23 23 THR CA C 23 66.800 60.957 5.843 1
1 238 . 3 1 1 A 23 23 THR CB C 23 69.100 68.881 0.219 1
1 240 . 3 1 1 A 23 23 THR N N 23 119.800 109.488 10.312 1
1 241 . 3 1 1 A 24 24 CYS H H 24 9.570 8.222 1.348 1
1 242 . 3 1 1 A 24 24 CYS HA H 24 3.880 4.652 -0.772 1
1 245 . 3 1 1 A 24 24 CYS C C 24 174.900 174.097 0.803 1
1 246 . 3 1 1 A 24 24 CYS CA C 24 62.000 58.963 3.037 1
1 247 . 3 1 1 A 24 24 CYS CB C 24 30.300 26.983 3.317 1
1 248 . 3 1 1 A 24 24 CYS N N 24 123.600 121.694 1.906 1
1 249 . 3 1 1 A 25 25 ALA H H 25 7.720 8.662 -0.942 1
1 250 . 3 1 1 A 25 25 ALA HA H 25 3.820 4.210 -0.390 1
1 254 . 3 1 1 A 25 25 ALA C C 25 175.400 176.826 -1.426 1
1 255 . 3 1 1 A 25 25 ALA CA C 25 52.500 52.135 0.365 1
1 256 . 3 1 1 A 25 25 ALA CB C 25 16.000 18.375 -2.375 1
1 257 . 3 1 1 A 25 25 ALA N N 25 121.400 126.518 -5.118 1
1 258 . 3 1 1 A 26 26 LYS H H 26 6.910 7.620 -0.710 1
1 259 . 3 1 1 A 26 26 LYS HA H 26 4.450 4.532 -0.082 1
1 268 . 3 1 1 A 26 26 LYS CA C 26 54.600 55.047 -0.447 1
1 269 . 3 1 1 A 26 26 LYS CB C 26 37.900 33.595 4.305 1
1 273 . 3 1 1 A 26 26 LYS N N 26 116.100 120.644 -4.544 1
1 274 . 3 1 1 A 27 27 ASP HA H 27 5.610 5.338 0.272 1
1 277 . 3 1 1 A 27 27 ASP C C 27 174.400 174.836 -0.436 1
1 278 . 3 1 1 A 27 27 ASP CA C 27 53.000 52.622 0.378 1
1 279 . 3 1 1 A 27 27 ASP CB C 27 44.200 42.852 1.348 1
1 280 . 3 1 1 A 28 28 PHE H H 28 9.200 9.281 -0.081 1
1 281 . 3 1 1 A 28 28 PHE HA H 28 4.890 5.155 -0.265 1
1 289 . 3 1 1 A 28 28 PHE C C 28 175.500 175.307 0.193 1
1 290 . 3 1 1 A 28 28 PHE CA C 28 56.800 56.457 0.343 1
1 291 . 3 1 1 A 28 28 PHE CB C 28 42.900 39.602 3.298 1
1 297 . 3 1 1 A 28 28 PHE N N 28 118.100 122.257 -4.157 1
1 298 . 3 1 1 A 29 29 SER H H 29 9.070 8.865 0.205 1
1 299 . 3 1 1 A 29 29 SER HA H 29 4.750 4.570 0.180 1
1 302 . 3 1 1 A 29 29 SER C C 29 173.400 174.225 -0.825 1
1 303 . 3 1 1 A 29 29 SER CA C 29 58.400 60.224 -1.824 1
1 304 . 3 1 1 A 29 29 SER CB C 29 64.100 63.827 0.273 1
1 305 . 3 1 1 A 29 29 SER N N 29 118.400 120.503 -2.103 1
1 306 . 3 1 1 A 30 30 LEU H H 30 8.180 9.046 -0.866 1
1 307 . 3 1 1 A 30 30 LEU HA H 30 5.200 5.272 -0.072 1
1 317 . 3 1 1 A 30 30 LEU CA C 30 53.100 53.709 -0.609 1
1 318 . 3 1 1 A 30 30 LEU CB C 30 44.800 43.546 1.254 1
1 322 . 3 1 1 A 30 30 LEU N N 30 122.200 126.536 -4.336 1
1 323 . 3 1 1 A 31 31 GLN HA H 31 4.680 5.050 -0.370 1
1 328 . 3 1 1 A 31 31 GLN C C 31 173.600 174.971 -1.371 1
1 329 . 3 1 1 A 31 31 GLN CA C 31 54.200 54.033 0.167 1
1 330 . 3 1 1 A 31 31 GLN CB C 31 31.800 31.538 0.262 1
1 332 . 3 1 1 A 32 32 ALA H H 32 8.560 8.984 -0.424 1
1 333 . 3 1 1 A 32 32 ALA HA H 32 3.990 4.955 -0.965 1
1 337 . 3 1 1 A 32 32 ALA C C 32 175.600 176.866 -1.266 1
1 338 . 3 1 1 A 32 32 ALA CA C 32 50.900 51.548 -0.648 1
1 339 . 3 1 1 A 32 32 ALA CB C 32 20.300 20.106 0.194 1
1 340 . 3 1 1 A 32 32 ALA N N 32 128.100 127.954 0.146 1
1 341 . 3 1 1 A 33 33 LEU H H 33 8.740 8.875 -0.135 1
1 342 . 3 1 1 A 33 33 LEU HA H 33 4.560 4.951 -0.391 1
1 352 . 3 1 1 A 33 33 LEU C C 33 175.400 175.813 -0.413 1
1 353 . 3 1 1 A 33 33 LEU CA C 33 52.700 53.408 -0.708 1
1 354 . 3 1 1 A 33 33 LEU CB C 33 44.200 45.248 -1.048 1
1 358 . 3 1 1 A 33 33 LEU N N 33 124.500 123.480 1.020 1
1 359 . 3 1 1 A 34 34 CYS H H 34 8.260 8.610 -0.350 1
1 360 . 3 1 1 A 34 34 CYS HA H 34 4.270 4.790 -0.520 1
1 363 . 3 1 1 A 34 34 CYS CA C 34 56.900 57.543 -0.643 1
1 364 . 3 1 1 A 34 34 CYS CB C 34 31.400 28.492 2.908 1
1 365 . 3 1 1 A 34 34 CYS N N 34 123.600 120.906 2.694 1
1 366 . 3 1 1 A 35 35 PRO HA H 35 4.290 4.291 -0.001 1
1 373 . 3 1 1 A 35 35 PRO C C 35 176.100 177.175 -1.075 1
1 374 . 3 1 1 A 35 35 PRO CA C 35 63.700 65.129 -1.429 1
1 375 . 3 1 1 A 35 35 PRO CB C 35 31.600 31.647 -0.047 1
1 378 . 3 1 1 A 36 36 ASP H H 36 8.980 8.567 0.413 1
1 379 . 3 1 1 A 36 36 ASP HA H 36 4.600 4.623 -0.023 1
1 382 . 3 1 1 A 36 36 ASP C C 36 176.500 175.888 0.612 1
1 383 . 3 1 1 A 36 36 ASP CA C 36 56.400 54.582 1.818 1
1 384 . 3 1 1 A 36 36 ASP CB C 36 40.100 41.620 -1.520 1
1 385 . 3 1 1 A 36 36 ASP N N 36 122.200 114.777 7.423 1
1 386 . 3 1 1 A 37 37 CYS H H 37 7.840 7.681 0.159 1
1 387 . 3 1 1 A 37 37 CYS HA H 37 5.000 4.671 0.329 1
1 390 . 3 1 1 A 37 37 CYS C C 37 175.400 174.150 1.250 1
1 391 . 3 1 1 A 37 37 CYS CA C 37 58.400 57.107 1.293 1
1 392 . 3 1 1 A 37 37 CYS CB C 37 32.300 27.900 4.400 1
1 393 . 3 1 1 A 37 37 CYS N N 37 116.000 118.291 -2.291 1
1 394 . 3 1 1 A 38 38 ARG H H 38 7.880 8.575 -0.695 1
1 395 . 3 1 1 A 38 38 ARG HA H 38 4.050 4.329 -0.279 1
1 402 . 3 1 1 A 38 38 ARG C C 38 173.700 176.223 -2.523 1
1 403 . 3 1 1 A 38 38 ARG CA C 38 58.100 56.681 1.419 1
1 404 . 3 1 1 A 38 38 ARG CB C 38 27.400 30.345 -2.945 1
1 407 . 3 1 1 A 38 38 ARG N N 38 117.700 124.881 -7.181 1
1 408 . 3 1 1 A 39 39 GLN H H 39 7.720 7.444 0.276 1
1 409 . 3 1 1 A 39 39 GLN HA H 39 4.710 4.517 0.193 1
1 414 . 3 1 1 A 39 39 GLN CA C 39 53.900 53.472 0.428 1
1 415 . 3 1 1 A 39 39 GLN CB C 39 28.100 28.035 0.065 1
1 417 . 3 1 1 A 39 39 GLN N N 39 117.500 120.295 -2.795 1
1 418 . 3 1 1 A 40 40 PRO HA H 40 4.570 4.240 0.330 1
1 425 . 3 1 1 A 40 40 PRO C C 40 176.600 177.341 -0.741 1
1 426 . 3 1 1 A 40 40 PRO CA C 40 63.700 63.167 0.533 1
1 427 . 3 1 1 A 40 40 PRO CB C 40 31.900 31.772 0.128 1
1 430 . 3 1 1 A 41 41 LEU H H 41 8.170 8.173 -0.003 1
1 431 . 3 1 1 A 41 41 LEU HA H 41 4.460 4.510 -0.050 1
1 441 . 3 1 1 A 41 41 LEU C C 41 177.200 176.782 0.418 1
1 442 . 3 1 1 A 41 41 LEU CA C 41 54.000 54.449 -0.449 1
1 443 . 3 1 1 A 41 41 LEU CB C 41 43.200 42.447 0.753 1
1 447 . 3 1 1 A 41 41 LEU N N 41 124.100 123.468 0.632 1
1 448 . 3 1 1 A 42 42 GLN H H 42 9.240 8.202 1.038 1
1 449 . 3 1 1 A 42 42 GLN HA H 42 4.490 4.548 -0.058 1
1 454 . 3 1 1 A 42 42 GLN C C 42 175.000 175.857 -0.857 1
1 455 . 3 1 1 A 42 42 GLN CA C 42 55.300 55.791 -0.491 1
1 456 . 3 1 1 A 42 42 GLN CB C 42 29.600 29.506 0.094 1
1 458 . 3 1 1 A 42 42 GLN N N 42 122.100 120.433 1.667 1
1 459 . 3 1 1 A 43 43 VAL H H 43 8.600 8.532 0.068 1
1 460 . 3 1 1 A 43 43 VAL HA H 43 4.260 3.926 0.334 1
1 468 . 3 1 1 A 43 43 VAL C C 43 175.500 175.338 0.162 1
1 469 . 3 1 1 A 43 43 VAL CA C 43 62.100 62.805 -0.705 1
1 470 . 3 1 1 A 43 43 VAL CB C 43 32.000 31.034 0.966 1
1 473 . 3 1 1 A 43 43 VAL N N 43 126.400 126.255 0.145 1
1 474 . 3 1 1 A 44 44 LEU H H 44 8.940 9.270 -0.330 1
1 475 . 3 1 1 A 44 44 LEU HA H 44 4.510 4.973 -0.463 1
1 485 . 3 1 1 A 44 44 LEU C C 44 175.500 176.020 -0.520 1
1 486 . 3 1 1 A 44 44 LEU CA C 44 53.400 53.084 0.316 1
1 487 . 3 1 1 A 44 44 LEU CB C 44 42.800 44.925 -2.125 1
1 491 . 3 1 1 A 44 44 LEU N N 44 130.200 128.519 1.681 1
1 492 . 3 1 1 A 45 45 LYS H H 45 8.520 8.668 -0.148 1
1 493 . 3 1 1 A 45 45 LYS HA H 45 4.830 4.887 -0.057 1
1 502 . 3 1 1 A 45 45 LYS C C 45 175.600 175.123 0.477 1
1 503 . 3 1 1 A 45 45 LYS CA C 45 55.700 54.947 0.753 1
1 504 . 3 1 1 A 45 45 LYS CB C 45 33.500 34.181 -0.681 1
1 508 . 3 1 1 A 45 45 LYS N N 45 123.700 121.141 2.559 1
1 509 . 3 1 1 A 46 46 ALA H H 46 8.220 8.580 -0.360 1
1 510 . 3 1 1 A 46 46 ALA HA H 46 4.540 4.633 -0.093 1
1 514 . 3 1 1 A 46 46 ALA C C 46 176.900 177.096 -0.196 1
1 515 . 3 1 1 A 46 46 ALA CA C 46 51.900 50.446 1.454 1
1 516 . 3 1 1 A 46 46 ALA CB C 46 20.700 20.023 0.677 1
1 517 . 3 1 1 A 46 46 ALA N N 46 126.400 127.107 -0.707 1
1 518 . 3 1 1 A 47 47 CYS H H 47 9.200 8.725 0.475 1
1 519 . 3 1 1 A 47 47 CYS HA H 47 4.080 4.062 0.018 1
1 522 . 3 1 1 A 47 47 CYS C C 47 175.100 174.874 0.226 1
1 523 . 3 1 1 A 47 47 CYS CA C 47 59.700 61.534 -1.834 1
1 524 . 3 1 1 A 47 47 CYS CB C 47 25.800 26.301 -0.501 1
1 525 . 3 1 1 A 47 47 CYS N N 47 120.400 121.264 -0.864 1
1 526 . 3 1 1 A 48 48 GLY H H 48 8.620 8.294 0.326 1
1 527 . 3 1 1 A 48 48 GLY HA2 H 48 3.670 4.007 -0.337 1
1 528 . 3 1 1 A 48 48 GLY HA3 H 48 4.070 4.011 0.059 1
1 529 . 3 1 1 A 48 48 GLY C C 48 173.100 173.703 -0.603 1
1 530 . 3 1 1 A 48 48 GLY CA C 48 45.500 45.260 0.240 1
1 531 . 3 1 1 A 48 48 GLY N N 48 109.000 110.039 -1.039 1
1 532 . 3 1 1 A 49 49 ALA H H 49 7.820 7.807 0.013 1
1 533 . 3 1 1 A 49 49 ALA HA H 49 4.620 4.505 0.115 1
1 537 . 3 1 1 A 49 49 ALA C C 49 176.000 176.684 -0.684 1
1 538 . 3 1 1 A 49 49 ALA CA C 49 51.000 51.014 -0.014 1
1 539 . 3 1 1 A 49 49 ALA CB C 49 21.300 21.362 -0.062 1
1 540 . 3 1 1 A 49 49 ALA N N 49 124.000 123.034 0.966 1
1 541 . 3 1 1 A 50 50 VAL H H 50 8.100 8.517 -0.417 1
1 542 . 3 1 1 A 50 50 VAL HA H 50 4.560 4.246 0.314 1
1 550 . 3 1 1 A 50 50 VAL C C 50 174.300 173.988 0.312 1
1 551 . 3 1 1 A 50 50 VAL CA C 50 61.400 61.946 -0.546 1
1 552 . 3 1 1 A 50 50 VAL CB C 50 33.800 31.896 1.904 1
1 555 . 3 1 1 A 50 50 VAL N N 50 119.600 122.170 -2.570 1
1 556 . 3 1 1 A 51 51 ASP H H 51 8.640 9.235 -0.595 1
1 557 . 3 1 1 A 51 51 ASP HA H 51 5.030 5.030 0.000 1
1 560 . 3 1 1 A 51 51 ASP C C 51 173.000 173.911 -0.911 1
1 561 . 3 1 1 A 51 51 ASP CA C 51 52.000 52.002 -0.002 1
1 562 . 3 1 1 A 51 51 ASP CB C 51 43.900 42.360 1.540 1
1 563 . 3 1 1 A 51 51 ASP N N 51 124.900 128.952 -4.052 1
1 564 . 3 1 1 A 52 52 TYR H H 52 8.950 9.110 -0.160 1
1 565 . 3 1 1 A 52 52 TYR HA H 52 5.150 5.269 -0.119 1
1 572 . 3 1 1 A 52 52 TYR C C 52 174.500 175.141 -0.641 1
1 573 . 3 1 1 A 52 52 TYR CA C 52 57.300 56.784 0.516 1
1 574 . 3 1 1 A 52 52 TYR CB C 52 41.200 39.268 1.932 1
1 579 . 3 1 1 A 52 52 TYR N N 52 118.500 126.822 -8.322 1
1 580 . 3 1 1 A 53 53 PHE H H 53 9.250 9.092 0.158 1
1 581 . 3 1 1 A 53 53 PHE HA H 53 5.040 4.859 0.181 1
1 588 . 3 1 1 A 53 53 PHE C C 53 173.200 174.063 -0.863 1
1 589 . 3 1 1 A 53 53 PHE CA C 53 56.400 58.015 -1.615 1
1 590 . 3 1 1 A 53 53 PHE CB C 53 44.300 40.997 3.303 1
1 595 . 3 1 1 A 53 53 PHE N N 53 123.100 123.896 -0.796 1
1 596 . 3 1 1 A 54 54 CYS H H 54 9.160 8.657 0.503 1
1 597 . 3 1 1 A 54 54 CYS HA H 54 4.690 4.603 0.087 1
1 600 . 3 1 1 A 54 54 CYS C C 54 175.700 174.729 0.971 1
1 601 . 3 1 1 A 54 54 CYS CA C 54 58.200 58.453 -0.253 1
1 602 . 3 1 1 A 54 54 CYS CB C 54 29.600 26.826 2.774 1
1 603 . 3 1 1 A 54 54 CYS N N 54 130.800 124.634 6.166 1
1 604 . 3 1 1 A 55 55 GLN H H 55 9.260 8.331 0.929 1
1 605 . 3 1 1 A 55 55 GLN HA H 55 4.300 4.806 -0.506 1
1 610 . 3 1 1 A 55 55 GLN C C 55 174.400 175.708 -1.308 1
1 611 . 3 1 1 A 55 55 GLN CA C 55 56.900 58.128 -1.228 1
1 612 . 3 1 1 A 55 55 GLN CB C 55 28.900 29.159 -0.259 1
1 614 . 3 1 1 A 55 55 GLN N N 55 129.000 126.080 2.920 1
1 615 . 3 1 1 A 56 56 ASN H H 56 9.100 8.180 0.920 1
1 616 . 3 1 1 A 56 56 ASN HA H 56 4.860 5.016 -0.156 1
1 619 . 3 1 1 A 56 56 ASN C C 56 174.100 175.983 -1.883 1
1 620 . 3 1 1 A 56 56 ASN CA C 56 52.100 51.909 0.191 1
1 621 . 3 1 1 A 56 56 ASN CB C 56 39.500 40.353 -0.853 1
1 622 . 3 1 1 A 56 56 ASN N N 56 122.300 118.784 3.516 1
1 623 . 3 1 1 A 57 57 GLY H H 57 7.180 8.710 -1.530 1
1 624 . 3 1 1 A 57 57 GLY HA2 H 57 3.450 4.015 -0.565 1
1 625 . 3 1 1 A 57 57 GLY HA3 H 57 4.000 4.026 -0.026 1
1 626 . 3 1 1 A 57 57 GLY C C 57 175.800 173.466 2.334 1
1 627 . 3 1 1 A 57 57 GLY CA C 57 45.100 45.581 -0.481 1
1 628 . 3 1 1 A 57 57 GLY N N 57 104.200 113.023 -8.823 1
1 629 . 3 1 1 A 58 58 HIS H H 58 7.380 7.906 -0.526 1
1 630 . 3 1 1 A 58 58 HIS HA H 58 4.620 4.791 -0.171 1
1 633 . 3 1 1 A 58 58 HIS C C 58 174.100 174.773 -0.673 1
1 634 . 3 1 1 A 58 58 HIS CA C 58 59.600 56.873 2.727 1
1 635 . 3 1 1 A 58 58 HIS CB C 58 30.100 31.324 -1.224 1
1 636 . 3 1 1 A 58 58 HIS N N 58 116.000 117.228 -1.228 1
1 637 . 3 1 1 A 59 59 GLY H H 59 7.610 8.110 -0.500 1
1 638 . 3 1 1 A 59 59 GLY HA2 H 59 2.930 4.086 -1.156 1
1 639 . 3 1 1 A 59 59 GLY HA3 H 59 3.700 4.101 -0.401 1
1 640 . 3 1 1 A 59 59 GLY C C 59 173.100 172.126 0.974 1
1 641 . 3 1 1 A 59 59 GLY CA C 59 45.500 45.251 0.249 1
1 642 . 3 1 1 A 59 59 GLY N N 59 108.000 106.556 1.444 1
1 643 . 3 1 1 A 60 60 LEU H H 60 8.450 8.443 0.007 1
1 644 . 3 1 1 A 60 60 LEU HA H 60 4.620 4.429 0.191 1
1 654 . 3 1 1 A 60 60 LEU C C 60 176.800 174.818 1.982 1
1 655 . 3 1 1 A 60 60 LEU CA C 60 55.700 52.579 3.121 1
1 656 . 3 1 1 A 60 60 LEU CB C 60 42.200 46.163 -3.963 1
1 660 . 3 1 1 A 60 60 LEU N N 60 124.300 120.596 3.704 1
1 661 . 3 1 1 A 61 61 ILE H H 61 8.740 8.326 0.414 1
1 662 . 3 1 1 A 61 61 ILE HA H 61 4.200 4.759 -0.559 1
1 672 . 3 1 1 A 61 61 ILE C C 61 175.500 175.265 0.235 1
1 673 . 3 1 1 A 61 61 ILE CA C 61 57.000 59.817 -2.817 1
1 674 . 3 1 1 A 61 61 ILE CB C 61 37.400 41.652 -4.252 1
1 678 . 3 1 1 A 61 61 ILE N N 61 128.500 122.065 6.435 1
1 679 . 3 1 1 A 62 62 SER H H 62 8.490 8.855 -0.365 1
1 680 . 3 1 1 A 62 62 SER HA H 62 4.380 4.504 -0.124 1
1 683 . 3 1 1 A 62 62 SER C C 62 176.500 176.385 0.115 1
1 684 . 3 1 1 A 62 62 SER CA C 62 58.300 58.728 -0.428 1
1 685 . 3 1 1 A 62 62 SER CB C 62 63.500 63.358 0.142 1
1 686 . 3 1 1 A 62 62 SER N N 62 121.700 122.536 -0.836 1
1 687 . 3 1 1 A 63 63 LYS H H 63 9.040 9.134 -0.094 1
1 688 . 3 1 1 A 63 63 LYS HA H 63 3.910 4.370 -0.460 1
1 697 . 3 1 1 A 63 63 LYS C C 63 178.200 178.322 -0.122 1
1 698 . 3 1 1 A 63 63 LYS CA C 63 60.300 58.554 1.746 1
1 699 . 3 1 1 A 63 63 LYS CB C 63 32.000 32.288 -0.288 1
1 703 . 3 1 1 A 63 63 LYS N N 63 126.000 130.155 -4.155 1
1 704 . 3 1 1 A 64 64 LYS H H 64 8.090 8.054 0.036 1
1 705 . 3 1 1 A 64 64 LYS HA H 64 4.190 4.266 -0.076 1
1 714 . 3 1 1 A 64 64 LYS C C 64 177.000 177.927 -0.927 1
1 715 . 3 1 1 A 64 64 LYS CA C 64 58.000 58.782 -0.782 1
1 716 . 3 1 1 A 64 64 LYS CB C 64 32.300 32.696 -0.396 1
1 720 . 3 1 1 A 64 64 LYS N N 64 115.400 120.199 -4.799 1
1 721 . 3 1 1 A 65 65 ARG H H 65 7.960 7.984 -0.024 1
1 722 . 3 1 1 A 65 65 ARG HA H 65 4.280 4.503 -0.223 1
1 729 . 3 1 1 A 65 65 ARG C C 65 176.000 175.921 0.079 1
1 730 . 3 1 1 A 65 65 ARG CA C 65 55.900 55.182 0.718 1
1 731 . 3 1 1 A 65 65 ARG CB C 65 32.000 30.571 1.429 1
1 734 . 3 1 1 A 65 65 ARG N N 65 116.600 116.667 -0.067 1
1 735 . 3 1 1 A 66 66 VAL H H 66 6.810 7.399 -0.589 1
1 736 . 3 1 1 A 66 66 VAL HA H 66 2.800 3.971 -1.171 1
1 744 . 3 1 1 A 66 66 VAL C C 66 174.500 175.347 -0.847 1
1 745 . 3 1 1 A 66 66 VAL CA C 66 65.000 63.024 1.976 1
1 746 . 3 1 1 A 66 66 VAL CB C 66 32.000 32.679 -0.679 1
1 749 . 3 1 1 A 66 66 VAL N N 66 119.600 120.770 -1.170 1
1 750 . 3 1 1 A 67 67 ASN H H 67 7.270 8.757 -1.487 1
1 751 . 3 1 1 A 67 67 ASN HA H 67 4.840 4.564 0.276 1
1 756 . 3 1 1 A 67 67 ASN C C 67 173.200 174.003 -0.803 1
1 757 . 3 1 1 A 67 67 ASN CA C 67 51.200 51.731 -0.531 1
1 758 . 3 1 1 A 67 67 ASN CB C 67 39.100 36.794 2.306 1
1 759 . 3 1 1 A 67 67 ASN N N 67 123.500 126.630 -3.130 1
1 761 . 3 1 1 A 68 68 PHE H H 68 8.180 7.316 0.864 1
1 762 . 3 1 1 A 68 68 PHE HA H 68 5.170 5.360 -0.190 1
1 770 . 3 1 1 A 68 68 PHE C C 68 175.300 175.500 -0.200 1
1 771 . 3 1 1 A 68 68 PHE CA C 68 58.000 56.813 1.187 1
1 772 . 3 1 1 A 68 68 PHE CB C 68 41.100 40.213 0.887 1
1 778 . 3 1 1 A 68 68 PHE N N 68 123.300 120.503 2.797 1
1 779 . 3 1 1 A 69 69 VAL H H 69 8.660 8.849 -0.189 1
1 780 . 3 1 1 A 69 69 VAL HA H 69 4.520 4.934 -0.414 1
1 788 . 3 1 1 A 69 69 VAL C C 69 175.100 174.858 0.242 1
1 789 . 3 1 1 A 69 69 VAL CA C 69 59.200 59.054 0.146 1
1 790 . 3 1 1 A 69 69 VAL CB C 69 35.100 35.407 -0.307 1
1 793 . 3 1 1 A 69 69 VAL N N 69 116.500 118.845 -2.345 1
1 794 . 3 1 1 A 70 70 ILE H H 70 8.480 8.698 -0.218 1
1 795 . 3 1 1 A 70 70 ILE HA H 70 4.350 4.338 0.012 1
1 805 . 3 1 1 A 70 70 ILE C C 70 176.400 174.923 1.477 1
1 806 . 3 1 1 A 70 70 ILE CA C 70 61.300 61.836 -0.536 1
1 807 . 3 1 1 A 70 70 ILE CB C 70 38.200 36.727 1.473 1
1 811 . 3 1 1 A 70 70 ILE N N 70 123.100 122.966 0.134 1
1 812 . 3 1 1 A 71 71 SER H H 71 8.770 9.161 -0.391 1
1 813 . 3 1 1 A 71 71 SER HA H 71 4.550 4.793 -0.243 1
1 816 . 3 1 1 A 71 71 SER C C 71 174.200 174.132 0.068 1
1 817 . 3 1 1 A 71 71 SER CA C 71 57.700 57.058 0.642 1
1 818 . 3 1 1 A 71 71 SER CB C 71 64.100 63.211 0.889 1
1 819 . 3 1 1 A 71 71 SER N N 71 122.200 122.465 -0.265 1
1 820 . 3 1 1 A 72 72 ASP H H 72 8.470 8.687 -0.217 1
1 821 . 3 1 1 A 72 72 ASP HA H 72 4.720 4.774 -0.054 1
1 824 . 3 1 1 A 72 72 ASP C C 72 176.100 176.216 -0.116 1
1 825 . 3 1 1 A 72 72 ASP CA C 72 54.200 54.355 -0.155 1
1 826 . 3 1 1 A 72 72 ASP CB C 72 41.200 41.768 -0.568 1
1 827 . 3 1 1 A 72 72 ASP N N 72 122.700 125.087 -2.387 1
1 828 . 3 1 1 A 73 73 GLN H H 73 8.490 7.920 0.570 1
1 829 . 3 1 1 A 73 73 GLN HA H 73 4.310 4.933 -0.623 1
1 834 . 3 1 1 A 73 73 GLN C C 73 176.000 174.604 1.396 1
1 835 . 3 1 1 A 73 73 GLN CA C 73 56.100 54.617 1.483 1
1 836 . 3 1 1 A 73 73 GLN CB C 73 29.200 29.744 -0.544 1
1 838 . 3 1 1 A 73 73 GLN N N 73 120.300 119.281 1.019 1
1 839 . 3 1 1 A 74 74 LEU H H 74 8.250 8.431 -0.181 1
1 840 . 3 1 1 A 74 74 LEU HA H 74 4.250 4.645 -0.395 1
1 850 . 3 1 1 A 74 74 LEU C C 74 177.100 178.179 -1.079 1
1 851 . 3 1 1 A 74 74 LEU CA C 74 55.200 53.684 1.516 1
1 852 . 3 1 1 A 74 74 LEU CB C 74 42.100 42.608 -0.508 1
1 856 . 3 1 1 A 74 74 LEU N N 74 123.000 125.753 -2.753 1
1 857 . 3 1 1 A 75 75 GLU H H 75 8.260 8.711 -0.451 1
1 858 . 3 1 1 A 75 75 GLU HA H 75 4.170 3.820 0.350 1
1 863 . 3 1 1 A 75 75 GLU C C 75 176.200 176.700 -0.500 1
1 864 . 3 1 1 A 75 75 GLU CA C 75 56.300 59.002 -2.702 1
1 865 . 3 1 1 A 75 75 GLU CB C 75 29.800 29.721 0.079 1
1 867 . 3 1 1 A 75 75 GLU N N 75 120.700 121.125 -0.425 1
1 868 . 3 1 1 A 76 76 HIS H H 76 8.480 8.018 0.462 1
1 869 . 3 1 1 A 76 76 HIS HA H 76 4.610 4.133 0.477 1
1 872 . 3 1 1 A 76 76 HIS C C 76 174.200 175.118 -0.918 1
1 873 . 3 1 1 A 76 76 HIS CA C 76 55.100 57.074 -1.974 1
1 874 . 3 1 1 A 76 76 HIS CB C 76 28.700 27.022 1.678 1
1 875 . 3 1 1 A 76 76 HIS N N 76 119.100 114.949 4.151 1
1 876 . 3 1 1 A 77 77 HIS H H 77 8.540 8.623 -0.083 1
1 877 . 3 1 1 A 77 77 HIS HA H 77 4.620 4.193 0.427 1
1 880 . 3 1 1 A 77 77 HIS C C 77 174.100 174.434 -0.334 1
1 881 . 3 1 1 A 77 77 HIS CA C 77 55.300 56.785 -1.485 1
1 882 . 3 1 1 A 77 77 HIS CB C 77 28.900 28.018 0.882 1
1 883 . 3 1 1 A 77 77 HIS N N 77 118.700 116.591 2.109 1
1 884 . 3 1 1 A 78 78 HIS H H 78 8.630 7.947 0.683 1
1 885 . 3 1 1 A 78 78 HIS HA H 78 4.660 4.614 0.046 1
1 888 . 3 1 1 A 78 78 HIS C C 78 174.100 174.527 -0.427 1
1 889 . 3 1 1 A 78 78 HIS CA C 78 55.200 55.551 -0.351 1
1 890 . 3 1 1 A 78 78 HIS CB C 78 29.100 29.011 0.089 1
1 891 . 3 1 1 A 78 78 HIS N N 78 119.500 120.346 -0.846 1
1 892 . 3 1 1 A 79 79 HIS H H 79 8.690 8.413 0.277 1
1 893 . 3 1 1 A 79 79 HIS HA H 79 4.660 5.060 -0.400 1
1 896 . 3 1 1 A 79 79 HIS C C 79 173.900 174.596 -0.696 1
1 897 . 3 1 1 A 79 79 HIS CA C 79 55.200 54.416 0.784 1
1 898 . 3 1 1 A 79 79 HIS CB C 79 29.100 30.993 -1.893 1
1 899 . 3 1 1 A 79 79 HIS N N 79 120.400 120.411 -0.011 1
1 900 . 3 1 1 A 80 80 HIS H H 80 8.590 8.783 -0.193 1
1 901 . 3 1 1 A 80 80 HIS HA H 80 4.630 4.764 -0.134 1
1 904 . 3 1 1 A 80 80 HIS C C 80 173.400 175.679 -2.279 1
1 905 . 3 1 1 A 80 80 HIS CA C 80 55.400 55.172 0.228 1
1 906 . 3 1 1 A 80 80 HIS CB C 80 29.300 30.247 -0.947 1
1 907 . 3 1 1 A 80 80 HIS N N 80 120.600 122.801 -2.201 1
1 7 . 4 1 1 A 2 2 GLU H H 2 8.850 8.663 0.187 1
1 8 . 4 1 1 A 2 2 GLU HA H 2 4.450 4.613 -0.163 1
1 13 . 4 1 1 A 2 2 GLU C C 2 175.400 176.505 -1.105 1
1 14 . 4 1 1 A 2 2 GLU CA C 2 55.900 56.258 -0.358 1
1 15 . 4 1 1 A 2 2 GLU CB C 2 30.300 30.733 -0.433 1
1 17 . 4 1 1 A 2 2 GLU N N 2 123.600 124.535 -0.935 1
1 18 . 4 1 1 A 3 3 ILE H H 3 8.590 8.450 0.140 1
1 19 . 4 1 1 A 3 3 ILE HA H 3 4.310 4.172 0.138 1
1 29 . 4 1 1 A 3 3 ILE C C 3 175.100 175.900 -0.800 1
1 30 . 4 1 1 A 3 3 ILE CA C 3 60.700 62.169 -1.469 1
1 31 . 4 1 1 A 3 3 ILE CB C 3 39.500 36.779 2.721 1
1 35 . 4 1 1 A 3 3 ILE N N 3 122.100 126.150 -4.050 1
1 36 . 4 1 1 A 4 4 THR H H 4 8.130 8.750 -0.620 1
1 37 . 4 1 1 A 4 4 THR HA H 4 4.540 5.383 -0.843 1
1 42 . 4 1 1 A 4 4 THR C C 4 173.000 172.722 0.278 1
1 43 . 4 1 1 A 4 4 THR CA C 4 59.700 59.895 -0.195 1
1 44 . 4 1 1 A 4 4 THR CB C 4 71.400 71.819 -0.419 1
1 46 . 4 1 1 A 4 4 THR N N 4 116.800 118.148 -1.348 1
1 47 . 4 1 1 A 5 5 CYS H H 5 8.700 8.097 0.603 1
1 48 . 4 1 1 A 5 5 CYS HA H 5 3.960 4.706 -0.746 1
1 51 . 4 1 1 A 5 5 CYS CA C 5 56.800 56.991 -0.191 1
1 52 . 4 1 1 A 5 5 CYS CB C 5 32.000 28.281 3.719 1
1 53 . 4 1 1 A 5 5 CYS N N 5 125.600 122.646 2.954 1
1 54 . 4 1 1 A 6 6 PRO HA H 6 4.260 4.552 -0.292 1
1 61 . 4 1 1 A 6 6 PRO C C 6 176.000 177.640 -1.640 1
1 62 . 4 1 1 A 6 6 PRO CA C 6 63.900 63.990 -0.090 1
1 63 . 4 1 1 A 6 6 PRO CB C 6 32.100 31.676 0.424 1
1 66 . 4 1 1 A 7 7 VAL H H 7 9.210 8.212 0.998 1
1 67 . 4 1 1 A 7 7 VAL HA H 7 3.820 4.410 -0.590 1
1 75 . 4 1 1 A 7 7 VAL CA C 7 64.900 63.673 1.227 1
1 76 . 4 1 1 A 7 7 VAL CB C 7 32.200 34.065 -1.865 1
1 79 . 4 1 1 A 7 7 VAL N N 7 122.500 116.242 6.258 1
1 80 . 4 1 1 A 8 8 CYS HA H 8 4.560 4.772 -0.212 1
1 83 . 4 1 1 A 8 8 CYS C C 8 176.800 173.563 3.237 1
1 84 . 4 1 1 A 8 8 CYS CA C 8 58.900 57.757 1.143 1
1 85 . 4 1 1 A 8 8 CYS CB C 8 32.000 28.529 3.471 1
1 86 . 4 1 1 A 9 9 HIS H H 9 7.550 9.038 -1.488 1
1 87 . 4 1 1 A 9 9 HIS HA H 9 4.470 4.623 -0.153 1
1 91 . 4 1 1 A 9 9 HIS CA C 9 56.900 55.213 1.687 1
1 92 . 4 1 1 A 9 9 HIS CB C 9 25.900 29.160 -3.260 1
1 94 . 4 1 1 A 9 9 HIS N N 9 115.000 126.793 -11.793 1
1 95 . 4 1 1 A 10 10 HIS HA H 10 4.790 4.715 0.075 1
1 100 . 4 1 1 A 10 10 HIS C C 10 174.700 174.291 0.409 1
1 101 . 4 1 1 A 10 10 HIS CA C 10 55.700 54.409 1.291 1
1 102 . 4 1 1 A 10 10 HIS CB C 10 29.800 33.280 -3.480 1
1 105 . 4 1 1 A 11 11 ALA H H 11 8.790 8.417 0.373 1
1 106 . 4 1 1 A 11 11 ALA HA H 11 4.310 4.364 -0.054 1
1 110 . 4 1 1 A 11 11 ALA C C 11 177.800 177.587 0.213 1
1 111 . 4 1 1 A 11 11 ALA CA C 11 53.400 52.430 0.970 1
1 112 . 4 1 1 A 11 11 ALA CB C 11 18.600 19.084 -0.484 1
1 113 . 4 1 1 A 11 11 ALA N N 11 124.500 125.175 -0.675 1
1 114 . 4 1 1 A 12 12 LEU H H 12 8.480 8.660 -0.180 1
1 115 . 4 1 1 A 12 12 LEU HA H 12 4.640 4.758 -0.118 1
1 125 . 4 1 1 A 12 12 LEU C C 12 176.900 176.786 0.114 1
1 126 . 4 1 1 A 12 12 LEU CA C 12 53.500 53.964 -0.464 1
1 127 . 4 1 1 A 12 12 LEU CB C 12 44.100 43.154 0.946 1
1 131 . 4 1 1 A 12 12 LEU N N 12 121.200 123.596 -2.396 1
1 132 . 4 1 1 A 13 13 GLU H H 13 8.600 8.908 -0.308 1
1 133 . 4 1 1 A 13 13 GLU HA H 13 4.590 4.626 -0.036 1
1 138 . 4 1 1 A 13 13 GLU C C 13 175.700 175.864 -0.164 1
1 139 . 4 1 1 A 13 13 GLU CA C 13 54.700 55.723 -1.023 1
1 140 . 4 1 1 A 13 13 GLU CB C 13 30.200 29.977 0.223 1
1 142 . 4 1 1 A 13 13 GLU N N 13 120.300 122.677 -2.377 1
1 143 . 4 1 1 A 14 14 ARG H H 14 9.010 8.756 0.254 1
1 144 . 4 1 1 A 14 14 ARG HA H 14 4.460 4.571 -0.111 1
1 151 . 4 1 1 A 14 14 ARG C C 14 174.900 175.127 -0.227 1
1 152 . 4 1 1 A 14 14 ARG CA C 14 56.400 56.738 -0.338 1
1 153 . 4 1 1 A 14 14 ARG CB C 14 31.800 30.868 0.932 1
1 156 . 4 1 1 A 14 14 ARG N N 14 126.500 126.759 -0.259 1
1 157 . 4 1 1 A 15 15 ASN H H 15 8.670 9.248 -0.578 1
1 158 . 4 1 1 A 15 15 ASN HA H 15 4.850 4.949 -0.099 1
1 161 . 4 1 1 A 15 15 ASN C C 15 174.900 175.629 -0.729 1
1 162 . 4 1 1 A 15 15 ASN CA C 15 52.100 51.654 0.446 1
1 163 . 4 1 1 A 15 15 ASN CB C 15 39.200 39.050 0.150 1
1 164 . 4 1 1 A 15 15 ASN N N 15 125.100 124.141 0.959 1
1 165 . 4 1 1 A 16 16 GLY H H 16 8.880 8.909 -0.029 1
1 166 . 4 1 1 A 16 16 GLY HA2 H 16 3.570 3.851 -0.281 1
1 167 . 4 1 1 A 16 16 GLY HA3 H 16 4.000 3.871 0.129 1
1 168 . 4 1 1 A 16 16 GLY C C 16 173.700 174.906 -1.206 1
1 169 . 4 1 1 A 16 16 GLY CA C 16 47.200 47.471 -0.271 1
1 170 . 4 1 1 A 16 16 GLY N N 16 114.400 115.451 -1.051 1
1 171 . 4 1 1 A 17 17 ASP H H 17 8.600 8.978 -0.378 1
1 172 . 4 1 1 A 17 17 ASP HA H 17 4.600 4.673 -0.073 1
1 175 . 4 1 1 A 17 17 ASP C C 17 174.800 176.165 -1.365 1
1 176 . 4 1 1 A 17 17 ASP CA C 17 53.800 55.659 -1.859 1
1 177 . 4 1 1 A 17 17 ASP CB C 17 40.200 41.653 -1.453 1
1 178 . 4 1 1 A 17 17 ASP N N 17 126.400 126.428 -0.028 1
1 179 . 4 1 1 A 18 18 THR H H 18 7.710 7.514 0.196 1
1 180 . 4 1 1 A 18 18 THR HA H 18 5.120 5.253 -0.133 1
1 185 . 4 1 1 A 18 18 THR C C 18 171.900 172.939 -1.039 1
1 186 . 4 1 1 A 18 18 THR CA C 18 60.400 59.738 0.662 1
1 187 . 4 1 1 A 18 18 THR CB C 18 72.300 71.587 0.713 1
1 189 . 4 1 1 A 18 18 THR N N 18 112.300 108.955 3.345 1
1 190 . 4 1 1 A 19 19 ALA H H 19 9.090 9.408 -0.318 1
1 191 . 4 1 1 A 19 19 ALA HA H 19 5.250 5.059 0.191 1
1 195 . 4 1 1 A 19 19 ALA C C 19 175.000 175.745 -0.745 1
1 196 . 4 1 1 A 19 19 ALA CA C 19 50.300 50.207 0.093 1
1 197 . 4 1 1 A 19 19 ALA CB C 19 23.900 20.734 3.166 1
1 198 . 4 1 1 A 19 19 ALA N N 19 123.300 124.543 -1.243 1
1 199 . 4 1 1 A 20 20 HIS H H 20 9.130 9.416 -0.286 1
1 200 . 4 1 1 A 20 20 HIS HA H 20 5.550 4.739 0.811 1
1 205 . 4 1 1 A 20 20 HIS C C 20 173.100 174.083 -0.983 1
1 206 . 4 1 1 A 20 20 HIS CA C 20 54.700 55.251 -0.551 1
1 207 . 4 1 1 A 20 20 HIS CB C 20 31.900 30.511 1.389 1
1 210 . 4 1 1 A 20 20 HIS N N 20 120.000 125.370 -5.370 1
1 211 . 4 1 1 A 21 21 CYS H H 21 8.910 8.597 0.313 1
1 212 . 4 1 1 A 21 21 CYS HA H 21 4.700 4.446 0.254 1
1 215 . 4 1 1 A 21 21 CYS C C 21 176.400 175.665 0.735 1
1 216 . 4 1 1 A 21 21 CYS CA C 21 57.900 58.588 -0.688 1
1 217 . 4 1 1 A 21 21 CYS CB C 21 31.700 29.000 2.700 1
1 218 . 4 1 1 A 21 21 CYS N N 21 129.200 127.289 1.911 1
1 219 . 4 1 1 A 22 22 GLU H H 22 9.030 8.711 0.319 1
1 220 . 4 1 1 A 22 22 GLU HA H 22 4.130 4.189 -0.059 1
1 225 . 4 1 1 A 22 22 GLU C C 22 177.400 176.524 0.876 1
1 226 . 4 1 1 A 22 22 GLU CA C 22 58.200 58.900 -0.700 1
1 227 . 4 1 1 A 22 22 GLU CB C 22 29.500 29.119 0.381 1
1 229 . 4 1 1 A 22 22 GLU N N 22 128.800 124.671 4.129 1
1 230 . 4 1 1 A 23 23 THR H H 23 8.360 7.664 0.696 1
1 231 . 4 1 1 A 23 23 THR HA H 23 3.920 4.204 -0.284 1
1 236 . 4 1 1 A 23 23 THR C C 23 176.500 174.306 2.194 1
1 237 . 4 1 1 A 23 23 THR CA C 23 66.800 62.167 4.633 1
1 238 . 4 1 1 A 23 23 THR CB C 23 69.100 69.563 -0.463 1
1 240 . 4 1 1 A 23 23 THR N N 23 119.800 112.013 7.787 1
1 241 . 4 1 1 A 24 24 CYS H H 24 9.570 8.926 0.644 1
1 242 . 4 1 1 A 24 24 CYS HA H 24 3.880 4.166 -0.286 1
1 245 . 4 1 1 A 24 24 CYS C C 24 174.900 174.008 0.892 1
1 246 . 4 1 1 A 24 24 CYS CA C 24 62.000 59.763 2.237 1
1 247 . 4 1 1 A 24 24 CYS CB C 24 30.300 25.338 4.962 1
1 248 . 4 1 1 A 24 24 CYS N N 24 123.600 122.404 1.196 1
1 249 . 4 1 1 A 25 25 ALA H H 25 7.720 8.251 -0.531 1
1 250 . 4 1 1 A 25 25 ALA HA H 25 3.820 4.176 -0.356 1
1 254 . 4 1 1 A 25 25 ALA C C 25 175.400 176.848 -1.448 1
1 255 . 4 1 1 A 25 25 ALA CA C 25 52.500 52.001 0.499 1
1 256 . 4 1 1 A 25 25 ALA CB C 25 16.000 19.060 -3.060 1
1 257 . 4 1 1 A 25 25 ALA N N 25 121.400 126.522 -5.122 1
1 258 . 4 1 1 A 26 26 LYS H H 26 6.910 8.152 -1.242 1
1 259 . 4 1 1 A 26 26 LYS HA H 26 4.450 4.679 -0.229 1
1 268 . 4 1 1 A 26 26 LYS CA C 26 54.600 54.179 0.421 1
1 269 . 4 1 1 A 26 26 LYS CB C 26 37.900 35.008 2.892 1
1 273 . 4 1 1 A 26 26 LYS N N 26 116.100 123.701 -7.601 1
1 274 . 4 1 1 A 27 27 ASP HA H 27 5.610 5.928 -0.318 1
1 277 . 4 1 1 A 27 27 ASP C C 27 174.400 174.618 -0.218 1
1 278 . 4 1 1 A 27 27 ASP CA C 27 53.000 52.139 0.861 1
1 279 . 4 1 1 A 27 27 ASP CB C 27 44.200 42.441 1.759 1
1 280 . 4 1 1 A 28 28 PHE H H 28 9.200 8.986 0.214 1
1 281 . 4 1 1 A 28 28 PHE HA H 28 4.890 4.990 -0.100 1
1 289 . 4 1 1 A 28 28 PHE C C 28 175.500 175.268 0.232 1
1 290 . 4 1 1 A 28 28 PHE CA C 28 56.800 56.712 0.088 1
1 291 . 4 1 1 A 28 28 PHE CB C 28 42.900 41.451 1.449 1
1 297 . 4 1 1 A 28 28 PHE N N 28 118.100 122.459 -4.359 1
1 298 . 4 1 1 A 29 29 SER H H 29 9.070 8.884 0.186 1
1 299 . 4 1 1 A 29 29 SER HA H 29 4.750 4.845 -0.095 1
1 302 . 4 1 1 A 29 29 SER C C 29 173.400 173.907 -0.507 1
1 303 . 4 1 1 A 29 29 SER CA C 29 58.400 57.869 0.531 1
1 304 . 4 1 1 A 29 29 SER CB C 29 64.100 63.746 0.354 1
1 305 . 4 1 1 A 29 29 SER N N 29 118.400 119.148 -0.748 1
1 306 . 4 1 1 A 30 30 LEU H H 30 8.180 9.524 -1.344 1
1 307 . 4 1 1 A 30 30 LEU HA H 30 5.200 5.255 -0.055 1
1 317 . 4 1 1 A 30 30 LEU CA C 30 53.100 53.828 -0.728 1
1 318 . 4 1 1 A 30 30 LEU CB C 30 44.800 42.856 1.944 1
1 322 . 4 1 1 A 30 30 LEU N N 30 122.200 128.503 -6.303 1
1 323 . 4 1 1 A 31 31 GLN HA H 31 4.680 3.740 0.940 1
1 328 . 4 1 1 A 31 31 GLN C C 31 173.600 174.695 -1.095 1
1 329 . 4 1 1 A 31 31 GLN CA C 31 54.200 53.571 0.629 1
1 330 . 4 1 1 A 31 31 GLN CB C 31 31.800 31.256 0.544 1
1 332 . 4 1 1 A 32 32 ALA H H 32 8.560 7.828 0.732 1
1 333 . 4 1 1 A 32 32 ALA HA H 32 3.990 4.446 -0.456 1
1 337 . 4 1 1 A 32 32 ALA C C 32 175.600 176.377 -0.777 1
1 338 . 4 1 1 A 32 32 ALA CA C 32 50.900 50.541 0.359 1
1 339 . 4 1 1 A 32 32 ALA CB C 32 20.300 19.588 0.712 1
1 340 . 4 1 1 A 32 32 ALA N N 32 128.100 124.713 3.387 1
1 341 . 4 1 1 A 33 33 LEU H H 33 8.740 9.137 -0.397 1
1 342 . 4 1 1 A 33 33 LEU HA H 33 4.560 4.931 -0.371 1
1 352 . 4 1 1 A 33 33 LEU C C 33 175.400 176.089 -0.689 1
1 353 . 4 1 1 A 33 33 LEU CA C 33 52.700 53.642 -0.942 1
1 354 . 4 1 1 A 33 33 LEU CB C 33 44.200 44.361 -0.161 1
1 358 . 4 1 1 A 33 33 LEU N N 33 124.500 123.506 0.994 1
1 359 . 4 1 1 A 34 34 CYS H H 34 8.260 8.498 -0.238 1
1 360 . 4 1 1 A 34 34 CYS HA H 34 4.270 4.967 -0.697 1
1 363 . 4 1 1 A 34 34 CYS CA C 34 56.900 56.977 -0.077 1
1 364 . 4 1 1 A 34 34 CYS CB C 34 31.400 28.652 2.748 1
1 365 . 4 1 1 A 34 34 CYS N N 34 123.600 121.203 2.397 1
1 366 . 4 1 1 A 35 35 PRO HA H 35 4.290 4.305 -0.015 1
1 373 . 4 1 1 A 35 35 PRO C C 35 176.100 177.682 -1.582 1
1 374 . 4 1 1 A 35 35 PRO CA C 35 63.700 64.677 -0.977 1
1 375 . 4 1 1 A 35 35 PRO CB C 35 31.600 32.002 -0.402 1
1 378 . 4 1 1 A 36 36 ASP H H 36 8.980 8.701 0.279 1
1 379 . 4 1 1 A 36 36 ASP HA H 36 4.600 4.395 0.205 1
1 382 . 4 1 1 A 36 36 ASP C C 36 176.500 178.495 -1.995 1
1 383 . 4 1 1 A 36 36 ASP CA C 36 56.400 56.294 0.106 1
1 384 . 4 1 1 A 36 36 ASP CB C 36 40.100 40.240 -0.140 1
1 385 . 4 1 1 A 36 36 ASP N N 36 122.200 115.836 6.364 1
1 386 . 4 1 1 A 37 37 CYS H H 37 7.840 7.675 0.165 1
1 387 . 4 1 1 A 37 37 CYS HA H 37 5.000 4.385 0.615 1
1 390 . 4 1 1 A 37 37 CYS C C 37 175.400 174.450 0.950 1
1 391 . 4 1 1 A 37 37 CYS CA C 37 58.400 62.658 -4.258 1
1 392 . 4 1 1 A 37 37 CYS CB C 37 32.300 28.209 4.091 1
1 393 . 4 1 1 A 37 37 CYS N N 37 116.000 116.764 -0.764 1
1 394 . 4 1 1 A 38 38 ARG H H 38 7.880 7.938 -0.058 1
1 395 . 4 1 1 A 38 38 ARG HA H 38 4.050 3.870 0.180 1
1 402 . 4 1 1 A 38 38 ARG C C 38 173.700 174.373 -0.673 1
1 403 . 4 1 1 A 38 38 ARG CA C 38 58.100 57.361 0.739 1
1 404 . 4 1 1 A 38 38 ARG CB C 38 27.400 27.021 0.379 1
1 407 . 4 1 1 A 38 38 ARG N N 38 117.700 117.422 0.278 1
1 408 . 4 1 1 A 39 39 GLN H H 39 7.720 7.745 -0.025 1
1 409 . 4 1 1 A 39 39 GLN HA H 39 4.710 4.792 -0.082 1
1 414 . 4 1 1 A 39 39 GLN CA C 39 53.900 52.532 1.368 1
1 415 . 4 1 1 A 39 39 GLN CB C 39 28.100 29.946 -1.846 1
1 417 . 4 1 1 A 39 39 GLN N N 39 117.500 117.541 -0.041 1
1 418 . 4 1 1 A 40 40 PRO HA H 40 4.570 4.426 0.144 1
1 425 . 4 1 1 A 40 40 PRO C C 40 176.600 177.225 -0.625 1
1 426 . 4 1 1 A 40 40 PRO CA C 40 63.700 63.305 0.395 1
1 427 . 4 1 1 A 40 40 PRO CB C 40 31.900 31.775 0.125 1
1 430 . 4 1 1 A 41 41 LEU H H 41 8.170 8.259 -0.089 1
1 431 . 4 1 1 A 41 41 LEU HA H 41 4.460 4.371 0.089 1
1 441 . 4 1 1 A 41 41 LEU C C 41 177.200 177.024 0.176 1
1 442 . 4 1 1 A 41 41 LEU CA C 41 54.000 54.781 -0.781 1
1 443 . 4 1 1 A 41 41 LEU CB C 41 43.200 42.757 0.443 1
1 447 . 4 1 1 A 41 41 LEU N N 41 124.100 124.211 -0.111 1
1 448 . 4 1 1 A 42 42 GLN H H 42 9.240 8.427 0.813 1
1 449 . 4 1 1 A 42 42 GLN HA H 42 4.490 4.304 0.186 1
1 454 . 4 1 1 A 42 42 GLN C C 42 175.000 175.900 -0.900 1
1 455 . 4 1 1 A 42 42 GLN CA C 42 55.300 56.030 -0.730 1
1 456 . 4 1 1 A 42 42 GLN CB C 42 29.600 28.836 0.764 1
1 458 . 4 1 1 A 42 42 GLN N N 42 122.100 121.978 0.122 1
1 459 . 4 1 1 A 43 43 VAL H H 43 8.600 8.265 0.335 1
1 460 . 4 1 1 A 43 43 VAL HA H 43 4.260 3.591 0.669 1
1 468 . 4 1 1 A 43 43 VAL C C 43 175.500 173.893 1.607 1
1 469 . 4 1 1 A 43 43 VAL CA C 43 62.100 62.221 -0.121 1
1 470 . 4 1 1 A 43 43 VAL CB C 43 32.000 31.572 0.428 1
1 473 . 4 1 1 A 43 43 VAL N N 43 126.400 126.175 0.225 1
1 474 . 4 1 1 A 44 44 LEU H H 44 8.940 8.721 0.219 1
1 475 . 4 1 1 A 44 44 LEU HA H 44 4.510 4.818 -0.308 1
1 485 . 4 1 1 A 44 44 LEU C C 44 175.500 175.281 0.219 1
1 486 . 4 1 1 A 44 44 LEU CA C 44 53.400 53.390 0.010 1
1 487 . 4 1 1 A 44 44 LEU CB C 44 42.800 43.510 -0.710 1
1 491 . 4 1 1 A 44 44 LEU N N 44 130.200 131.818 -1.618 1
1 492 . 4 1 1 A 45 45 LYS H H 45 8.520 8.952 -0.432 1
1 493 . 4 1 1 A 45 45 LYS HA H 45 4.830 4.786 0.044 1
1 502 . 4 1 1 A 45 45 LYS C C 45 175.600 175.296 0.304 1
1 503 . 4 1 1 A 45 45 LYS CA C 45 55.700 55.158 0.542 1
1 504 . 4 1 1 A 45 45 LYS CB C 45 33.500 31.833 1.667 1
1 508 . 4 1 1 A 45 45 LYS N N 45 123.700 124.782 -1.082 1
1 509 . 4 1 1 A 46 46 ALA H H 46 8.220 8.519 -0.299 1
1 510 . 4 1 1 A 46 46 ALA HA H 46 4.540 4.477 0.063 1
1 514 . 4 1 1 A 46 46 ALA C C 46 176.900 177.183 -0.283 1
1 515 . 4 1 1 A 46 46 ALA CA C 46 51.900 51.180 0.720 1
1 516 . 4 1 1 A 46 46 ALA CB C 46 20.700 18.283 2.417 1
1 517 . 4 1 1 A 46 46 ALA N N 46 126.400 128.864 -2.464 1
1 518 . 4 1 1 A 47 47 CYS H H 47 9.200 8.574 0.626 1
1 519 . 4 1 1 A 47 47 CYS HA H 47 4.080 4.097 -0.017 1
1 522 . 4 1 1 A 47 47 CYS C C 47 175.100 175.062 0.038 1
1 523 . 4 1 1 A 47 47 CYS CA C 47 59.700 61.590 -1.890 1
1 524 . 4 1 1 A 47 47 CYS CB C 47 25.800 26.299 -0.499 1
1 525 . 4 1 1 A 47 47 CYS N N 47 120.400 121.051 -0.651 1
1 526 . 4 1 1 A 48 48 GLY H H 48 8.620 8.435 0.185 1
1 527 . 4 1 1 A 48 48 GLY HA2 H 48 3.670 3.995 -0.325 1
1 528 . 4 1 1 A 48 48 GLY HA3 H 48 4.070 3.996 0.074 1
1 529 . 4 1 1 A 48 48 GLY C C 48 173.100 173.561 -0.461 1
1 530 . 4 1 1 A 48 48 GLY CA C 48 45.500 45.272 0.228 1
1 531 . 4 1 1 A 48 48 GLY N N 48 109.000 109.507 -0.507 1
1 532 . 4 1 1 A 49 49 ALA H H 49 7.820 7.667 0.153 1
1 533 . 4 1 1 A 49 49 ALA HA H 49 4.620 4.795 -0.175 1
1 537 . 4 1 1 A 49 49 ALA C C 49 176.000 175.822 0.178 1
1 538 . 4 1 1 A 49 49 ALA CA C 49 51.000 50.526 0.474 1
1 539 . 4 1 1 A 49 49 ALA CB C 49 21.300 22.455 -1.155 1
1 540 . 4 1 1 A 49 49 ALA N N 49 124.000 122.492 1.508 1
1 541 . 4 1 1 A 50 50 VAL H H 50 8.100 8.775 -0.675 1
1 542 . 4 1 1 A 50 50 VAL HA H 50 4.560 4.632 -0.072 1
1 550 . 4 1 1 A 50 50 VAL C C 50 174.300 175.306 -1.006 1
1 551 . 4 1 1 A 50 50 VAL CA C 50 61.400 61.891 -0.491 1
1 552 . 4 1 1 A 50 50 VAL CB C 50 33.800 32.621 1.179 1
1 555 . 4 1 1 A 50 50 VAL N N 50 119.600 122.453 -2.853 1
1 556 . 4 1 1 A 51 51 ASP H H 51 8.640 9.395 -0.755 1
1 557 . 4 1 1 A 51 51 ASP HA H 51 5.030 5.565 -0.535 1
1 560 . 4 1 1 A 51 51 ASP C C 51 173.000 174.971 -1.971 1
1 561 . 4 1 1 A 51 51 ASP CA C 51 52.000 52.822 -0.822 1
1 562 . 4 1 1 A 51 51 ASP CB C 51 43.900 44.523 -0.623 1
1 563 . 4 1 1 A 51 51 ASP N N 51 124.900 127.802 -2.902 1
1 564 . 4 1 1 A 52 52 TYR H H 52 8.950 9.045 -0.095 1
1 565 . 4 1 1 A 52 52 TYR HA H 52 5.150 5.204 -0.054 1
1 572 . 4 1 1 A 52 52 TYR C C 52 174.500 174.889 -0.389 1
1 573 . 4 1 1 A 52 52 TYR CA C 52 57.300 56.706 0.594 1
1 574 . 4 1 1 A 52 52 TYR CB C 52 41.200 40.349 0.851 1
1 579 . 4 1 1 A 52 52 TYR N N 52 118.500 118.736 -0.236 1
1 580 . 4 1 1 A 53 53 PHE H H 53 9.250 8.403 0.847 1
1 581 . 4 1 1 A 53 53 PHE HA H 53 5.040 5.179 -0.139 1
1 588 . 4 1 1 A 53 53 PHE C C 53 173.200 173.181 0.019 1
1 589 . 4 1 1 A 53 53 PHE CA C 53 56.400 55.978 0.422 1
1 590 . 4 1 1 A 53 53 PHE CB C 53 44.300 41.574 2.726 1
1 595 . 4 1 1 A 53 53 PHE N N 53 123.100 120.008 3.092 1
1 596 . 4 1 1 A 54 54 CYS H H 54 9.160 8.806 0.354 1
1 597 . 4 1 1 A 54 54 CYS HA H 54 4.690 4.361 0.329 1
1 600 . 4 1 1 A 54 54 CYS C C 54 175.700 175.205 0.495 1
1 601 . 4 1 1 A 54 54 CYS CA C 54 58.200 58.143 0.057 1
1 602 . 4 1 1 A 54 54 CYS CB C 54 29.600 26.077 3.523 1
1 603 . 4 1 1 A 54 54 CYS N N 54 130.800 119.833 10.967 1
1 604 . 4 1 1 A 55 55 GLN H H 55 9.260 8.541 0.719 1
1 605 . 4 1 1 A 55 55 GLN HA H 55 4.300 4.296 0.004 1
1 610 . 4 1 1 A 55 55 GLN C C 55 174.400 175.809 -1.409 1
1 611 . 4 1 1 A 55 55 GLN CA C 55 56.900 58.562 -1.662 1
1 612 . 4 1 1 A 55 55 GLN CB C 55 28.900 29.096 -0.196 1
1 614 . 4 1 1 A 55 55 GLN N N 55 129.000 127.391 1.609 1
1 615 . 4 1 1 A 56 56 ASN H H 56 9.100 7.541 1.559 1
1 616 . 4 1 1 A 56 56 ASN HA H 56 4.860 5.186 -0.326 1
1 619 . 4 1 1 A 56 56 ASN C C 56 174.100 175.699 -1.599 1
1 620 . 4 1 1 A 56 56 ASN CA C 56 52.100 51.501 0.599 1
1 621 . 4 1 1 A 56 56 ASN CB C 56 39.500 41.649 -2.149 1
1 622 . 4 1 1 A 56 56 ASN N N 56 122.300 113.065 9.235 1
1 623 . 4 1 1 A 57 57 GLY H H 57 7.180 8.687 -1.507 1
1 624 . 4 1 1 A 57 57 GLY HA2 H 57 3.450 4.025 -0.575 1
1 625 . 4 1 1 A 57 57 GLY HA3 H 57 4.000 4.034 -0.034 1
1 626 . 4 1 1 A 57 57 GLY C C 57 175.800 173.740 2.060 1
1 627 . 4 1 1 A 57 57 GLY CA C 57 45.100 45.196 -0.096 1
1 628 . 4 1 1 A 57 57 GLY N N 57 104.200 111.042 -6.842 1
1 629 . 4 1 1 A 58 58 HIS H H 58 7.380 8.145 -0.765 1
1 630 . 4 1 1 A 58 58 HIS HA H 58 4.620 4.882 -0.262 1
1 633 . 4 1 1 A 58 58 HIS C C 58 174.100 175.042 -0.942 1
1 634 . 4 1 1 A 58 58 HIS CA C 58 59.600 56.800 2.800 1
1 635 . 4 1 1 A 58 58 HIS CB C 58 30.100 31.858 -1.758 1
1 636 . 4 1 1 A 58 58 HIS N N 58 116.000 118.911 -2.911 1
1 637 . 4 1 1 A 59 59 GLY H H 59 7.610 7.344 0.266 1
1 638 . 4 1 1 A 59 59 GLY HA2 H 59 2.930 3.932 -1.002 1
1 639 . 4 1 1 A 59 59 GLY HA3 H 59 3.700 3.986 -0.286 1
1 640 . 4 1 1 A 59 59 GLY C C 59 173.100 172.875 0.225 1
1 641 . 4 1 1 A 59 59 GLY CA C 59 45.500 44.478 1.022 1
1 642 . 4 1 1 A 59 59 GLY N N 59 108.000 105.551 2.449 1
1 643 . 4 1 1 A 60 60 LEU H H 60 8.450 8.337 0.113 1
1 644 . 4 1 1 A 60 60 LEU HA H 60 4.620 4.302 0.318 1
1 654 . 4 1 1 A 60 60 LEU C C 60 176.800 175.990 0.810 1
1 655 . 4 1 1 A 60 60 LEU CA C 60 55.700 54.287 1.413 1
1 656 . 4 1 1 A 60 60 LEU CB C 60 42.200 42.394 -0.194 1
1 660 . 4 1 1 A 60 60 LEU N N 60 124.300 119.015 5.285 1
1 661 . 4 1 1 A 61 61 ILE H H 61 8.740 8.622 0.118 1
1 662 . 4 1 1 A 61 61 ILE HA H 61 4.200 4.536 -0.336 1
1 672 . 4 1 1 A 61 61 ILE C C 61 175.500 175.784 -0.284 1
1 673 . 4 1 1 A 61 61 ILE CA C 61 57.000 59.512 -2.512 1
1 674 . 4 1 1 A 61 61 ILE CB C 61 37.400 40.173 -2.773 1
1 678 . 4 1 1 A 61 61 ILE N N 61 128.500 123.906 4.594 1
1 679 . 4 1 1 A 62 62 SER H H 62 8.490 8.418 0.072 1
1 680 . 4 1 1 A 62 62 SER HA H 62 4.380 4.313 0.067 1
1 683 . 4 1 1 A 62 62 SER C C 62 176.500 174.646 1.854 1
1 684 . 4 1 1 A 62 62 SER CA C 62 58.300 60.410 -2.110 1
1 685 . 4 1 1 A 62 62 SER CB C 62 63.500 63.691 -0.191 1
1 686 . 4 1 1 A 62 62 SER N N 62 121.700 121.569 0.131 1
1 687 . 4 1 1 A 63 63 LYS H H 63 9.040 8.679 0.361 1
1 688 . 4 1 1 A 63 63 LYS HA H 63 3.910 4.081 -0.171 1
1 697 . 4 1 1 A 63 63 LYS C C 63 178.200 178.100 0.100 1
1 698 . 4 1 1 A 63 63 LYS CA C 63 60.300 59.400 0.900 1
1 699 . 4 1 1 A 63 63 LYS CB C 63 32.000 32.705 -0.705 1
1 703 . 4 1 1 A 63 63 LYS N N 63 126.000 125.663 0.337 1
1 704 . 4 1 1 A 64 64 LYS H H 64 8.090 8.166 -0.076 1
1 705 . 4 1 1 A 64 64 LYS HA H 64 4.190 4.270 -0.080 1
1 714 . 4 1 1 A 64 64 LYS C C 64 177.000 176.917 0.083 1
1 715 . 4 1 1 A 64 64 LYS CA C 64 58.000 57.680 0.320 1
1 716 . 4 1 1 A 64 64 LYS CB C 64 32.300 31.988 0.312 1
1 720 . 4 1 1 A 64 64 LYS N N 64 115.400 117.630 -2.230 1
1 721 . 4 1 1 A 65 65 ARG H H 65 7.960 8.314 -0.354 1
1 722 . 4 1 1 A 65 65 ARG HA H 65 4.280 4.564 -0.284 1
1 729 . 4 1 1 A 65 65 ARG C C 65 176.000 175.901 0.099 1
1 730 . 4 1 1 A 65 65 ARG CA C 65 55.900 56.946 -1.046 1
1 731 . 4 1 1 A 65 65 ARG CB C 65 32.000 32.094 -0.094 1
1 734 . 4 1 1 A 65 65 ARG N N 65 116.600 118.833 -2.233 1
1 735 . 4 1 1 A 66 66 VAL H H 66 6.810 7.525 -0.715 1
1 736 . 4 1 1 A 66 66 VAL HA H 66 2.800 4.141 -1.341 1
1 744 . 4 1 1 A 66 66 VAL C C 66 174.500 175.432 -0.932 1
1 745 . 4 1 1 A 66 66 VAL CA C 66 65.000 61.844 3.156 1
1 746 . 4 1 1 A 66 66 VAL CB C 66 32.000 32.577 -0.577 1
1 749 . 4 1 1 A 66 66 VAL N N 66 119.600 116.677 2.923 1
1 750 . 4 1 1 A 67 67 ASN H H 67 7.270 8.397 -1.127 1
1 751 . 4 1 1 A 67 67 ASN HA H 67 4.840 5.137 -0.297 1
1 756 . 4 1 1 A 67 67 ASN C C 67 173.200 173.668 -0.468 1
1 757 . 4 1 1 A 67 67 ASN CA C 67 51.200 51.347 -0.147 1
1 758 . 4 1 1 A 67 67 ASN CB C 67 39.100 39.161 -0.061 1
1 759 . 4 1 1 A 67 67 ASN N N 67 123.500 121.908 1.592 1
1 761 . 4 1 1 A 68 68 PHE H H 68 8.180 9.187 -1.007 1
1 762 . 4 1 1 A 68 68 PHE HA H 68 5.170 5.297 -0.127 1
1 770 . 4 1 1 A 68 68 PHE C C 68 175.300 175.820 -0.520 1
1 771 . 4 1 1 A 68 68 PHE CA C 68 58.000 57.756 0.244 1
1 772 . 4 1 1 A 68 68 PHE CB C 68 41.100 39.165 1.935 1
1 778 . 4 1 1 A 68 68 PHE N N 68 123.300 126.484 -3.184 1
1 779 . 4 1 1 A 69 69 VAL H H 69 8.660 8.895 -0.235 1
1 780 . 4 1 1 A 69 69 VAL HA H 69 4.520 4.928 -0.408 1
1 788 . 4 1 1 A 69 69 VAL C C 69 175.100 174.791 0.309 1
1 789 . 4 1 1 A 69 69 VAL CA C 69 59.200 59.027 0.173 1
1 790 . 4 1 1 A 69 69 VAL CB C 69 35.100 35.419 -0.319 1
1 793 . 4 1 1 A 69 69 VAL N N 69 116.500 117.587 -1.087 1
1 794 . 4 1 1 A 70 70 ILE H H 70 8.480 8.583 -0.103 1
1 795 . 4 1 1 A 70 70 ILE HA H 70 4.350 4.222 0.128 1
1 805 . 4 1 1 A 70 70 ILE C C 70 176.400 175.333 1.067 1
1 806 . 4 1 1 A 70 70 ILE CA C 70 61.300 62.137 -0.837 1
1 807 . 4 1 1 A 70 70 ILE CB C 70 38.200 36.462 1.738 1
1 811 . 4 1 1 A 70 70 ILE N N 70 123.100 123.161 -0.061 1
1 812 . 4 1 1 A 71 71 SER H H 71 8.770 8.526 0.244 1
1 813 . 4 1 1 A 71 71 SER HA H 71 4.550 5.230 -0.680 1
1 816 . 4 1 1 A 71 71 SER C C 71 174.200 172.661 1.539 1
1 817 . 4 1 1 A 71 71 SER CA C 71 57.700 57.310 0.390 1
1 818 . 4 1 1 A 71 71 SER CB C 71 64.100 65.601 -1.501 1
1 819 . 4 1 1 A 71 71 SER N N 71 122.200 125.163 -2.963 1
1 820 . 4 1 1 A 72 72 ASP H H 72 8.470 8.806 -0.336 1
1 821 . 4 1 1 A 72 72 ASP HA H 72 4.720 5.014 -0.294 1
1 824 . 4 1 1 A 72 72 ASP C C 72 176.100 174.375 1.725 1
1 825 . 4 1 1 A 72 72 ASP CA C 72 54.200 53.097 1.103 1
1 826 . 4 1 1 A 72 72 ASP CB C 72 41.200 44.698 -3.498 1
1 827 . 4 1 1 A 72 72 ASP N N 72 122.700 123.719 -1.019 1
1 828 . 4 1 1 A 73 73 GLN H H 73 8.490 8.823 -0.333 1
1 829 . 4 1 1 A 73 73 GLN HA H 73 4.310 4.558 -0.248 1
1 834 . 4 1 1 A 73 73 GLN C C 73 176.000 175.920 0.080 1
1 835 . 4 1 1 A 73 73 GLN CA C 73 56.100 54.894 1.206 1
1 836 . 4 1 1 A 73 73 GLN CB C 73 29.200 29.897 -0.697 1
1 838 . 4 1 1 A 73 73 GLN N N 73 120.300 121.675 -1.375 1
1 839 . 4 1 1 A 74 74 LEU H H 74 8.250 8.282 -0.032 1
1 840 . 4 1 1 A 74 74 LEU HA H 74 4.250 3.805 0.445 1
1 850 . 4 1 1 A 74 74 LEU C C 74 177.100 174.842 2.258 1
1 851 . 4 1 1 A 74 74 LEU CA C 74 55.200 56.068 -0.868 1
1 852 . 4 1 1 A 74 74 LEU CB C 74 42.100 39.968 2.132 1
1 856 . 4 1 1 A 74 74 LEU N N 74 123.000 118.798 4.202 1
1 857 . 4 1 1 A 75 75 GLU H H 75 8.260 7.835 0.425 1
1 858 . 4 1 1 A 75 75 GLU HA H 75 4.170 4.697 -0.527 1
1 863 . 4 1 1 A 75 75 GLU C C 75 176.200 177.069 -0.869 1
1 864 . 4 1 1 A 75 75 GLU CA C 75 56.300 54.944 1.356 1
1 865 . 4 1 1 A 75 75 GLU CB C 75 29.800 30.248 -0.448 1
1 867 . 4 1 1 A 75 75 GLU N N 75 120.700 119.308 1.392 1
1 868 . 4 1 1 A 76 76 HIS H H 76 8.480 8.979 -0.499 1
1 869 . 4 1 1 A 76 76 HIS HA H 76 4.610 4.690 -0.080 1
1 872 . 4 1 1 A 76 76 HIS C C 76 174.200 174.953 -0.753 1
1 873 . 4 1 1 A 76 76 HIS CA C 76 55.100 56.023 -0.923 1
1 874 . 4 1 1 A 76 76 HIS CB C 76 28.700 30.128 -1.428 1
1 875 . 4 1 1 A 76 76 HIS N N 76 119.100 125.354 -6.254 1
1 876 . 4 1 1 A 77 77 HIS H H 77 8.540 8.533 0.007 1
1 877 . 4 1 1 A 77 77 HIS HA H 77 4.620 4.571 0.049 1
1 880 . 4 1 1 A 77 77 HIS C C 77 174.100 174.722 -0.622 1
1 881 . 4 1 1 A 77 77 HIS CA C 77 55.300 56.334 -1.034 1
1 882 . 4 1 1 A 77 77 HIS CB C 77 28.900 29.384 -0.484 1
1 883 . 4 1 1 A 77 77 HIS N N 77 118.700 116.783 1.917 1
1 884 . 4 1 1 A 78 78 HIS H H 78 8.630 8.341 0.289 1
1 885 . 4 1 1 A 78 78 HIS HA H 78 4.660 3.984 0.676 1
1 888 . 4 1 1 A 78 78 HIS C C 78 174.100 174.923 -0.823 1
1 889 . 4 1 1 A 78 78 HIS CA C 78 55.200 56.728 -1.528 1
1 890 . 4 1 1 A 78 78 HIS CB C 78 29.100 28.133 0.967 1
1 891 . 4 1 1 A 78 78 HIS N N 78 119.500 123.751 -4.251 1
1 892 . 4 1 1 A 79 79 HIS H H 79 8.690 7.991 0.699 1
1 893 . 4 1 1 A 79 79 HIS HA H 79 4.660 4.906 -0.246 1
1 896 . 4 1 1 A 79 79 HIS C C 79 173.900 174.400 -0.500 1
1 897 . 4 1 1 A 79 79 HIS CA C 79 55.200 53.864 1.336 1
1 898 . 4 1 1 A 79 79 HIS CB C 79 29.100 30.485 -1.385 1
1 899 . 4 1 1 A 79 79 HIS N N 79 120.400 124.841 -4.441 1
1 900 . 4 1 1 A 80 80 HIS H H 80 8.590 8.782 -0.192 1
1 901 . 4 1 1 A 80 80 HIS HA H 80 4.630 4.470 0.160 1
1 904 . 4 1 1 A 80 80 HIS C C 80 173.400 175.424 -2.024 1
1 905 . 4 1 1 A 80 80 HIS CA C 80 55.400 57.570 -2.170 1
1 906 . 4 1 1 A 80 80 HIS CB C 80 29.300 31.275 -1.975 1
1 907 . 4 1 1 A 80 80 HIS N N 80 120.600 126.072 -5.472 1
1 7 . 5 1 1 A 2 2 GLU H H 2 8.850 7.914 0.936 1
1 8 . 5 1 1 A 2 2 GLU HA H 2 4.450 4.315 0.135 1
1 13 . 5 1 1 A 2 2 GLU C C 2 175.400 176.383 -0.983 1
1 14 . 5 1 1 A 2 2 GLU CA C 2 55.900 56.690 -0.790 1
1 15 . 5 1 1 A 2 2 GLU CB C 2 30.300 30.294 0.006 1
1 17 . 5 1 1 A 2 2 GLU N N 2 123.600 118.851 4.749 1
1 18 . 5 1 1 A 3 3 ILE H H 3 8.590 8.336 0.254 1
1 19 . 5 1 1 A 3 3 ILE HA H 3 4.310 4.145 0.165 1
1 29 . 5 1 1 A 3 3 ILE C C 3 175.100 175.651 -0.551 1
1 30 . 5 1 1 A 3 3 ILE CA C 3 60.700 61.183 -0.483 1
1 31 . 5 1 1 A 3 3 ILE CB C 3 39.500 38.090 1.410 1
1 35 . 5 1 1 A 3 3 ILE N N 3 122.100 123.120 -1.020 1
1 36 . 5 1 1 A 4 4 THR H H 4 8.130 8.935 -0.805 1
1 37 . 5 1 1 A 4 4 THR HA H 4 4.540 4.692 -0.152 1
1 42 . 5 1 1 A 4 4 THR C C 4 173.000 173.419 -0.419 1
1 43 . 5 1 1 A 4 4 THR CA C 4 59.700 61.164 -1.464 1
1 44 . 5 1 1 A 4 4 THR CB C 4 71.400 71.622 -0.222 1
1 46 . 5 1 1 A 4 4 THR N N 4 116.800 121.828 -5.028 1
1 47 . 5 1 1 A 5 5 CYS H H 5 8.700 8.884 -0.184 1
1 48 . 5 1 1 A 5 5 CYS HA H 5 3.960 4.629 -0.669 1
1 51 . 5 1 1 A 5 5 CYS CA C 5 56.800 57.599 -0.799 1
1 52 . 5 1 1 A 5 5 CYS CB C 5 32.000 27.142 4.858 1
1 53 . 5 1 1 A 5 5 CYS N N 5 125.600 125.695 -0.095 1
1 54 . 5 1 1 A 6 6 PRO HA H 6 4.260 4.413 -0.153 1
1 61 . 5 1 1 A 6 6 PRO C C 6 176.000 178.707 -2.707 1
1 62 . 5 1 1 A 6 6 PRO CA C 6 63.900 66.089 -2.189 1
1 63 . 5 1 1 A 6 6 PRO CB C 6 32.100 31.439 0.661 1
1 66 . 5 1 1 A 7 7 VAL H H 7 9.210 8.268 0.942 1
1 67 . 5 1 1 A 7 7 VAL HA H 7 3.820 3.942 -0.122 1
1 75 . 5 1 1 A 7 7 VAL CA C 7 64.900 64.898 0.002 1
1 76 . 5 1 1 A 7 7 VAL CB C 7 32.200 31.393 0.807 1
1 79 . 5 1 1 A 7 7 VAL N N 7 122.500 115.356 7.144 1
1 80 . 5 1 1 A 8 8 CYS HA H 8 4.560 4.604 -0.044 1
1 83 . 5 1 1 A 8 8 CYS C C 8 176.800 174.801 1.999 1
1 84 . 5 1 1 A 8 8 CYS CA C 8 58.900 58.151 0.749 1
1 85 . 5 1 1 A 8 8 CYS CB C 8 32.000 27.024 4.976 1
1 86 . 5 1 1 A 9 9 HIS H H 9 7.550 7.652 -0.102 1
1 87 . 5 1 1 A 9 9 HIS HA H 9 4.470 4.692 -0.222 1
1 91 . 5 1 1 A 9 9 HIS CA C 9 56.900 57.283 -0.383 1
1 92 . 5 1 1 A 9 9 HIS CB C 9 25.900 29.843 -3.943 1
1 94 . 5 1 1 A 9 9 HIS N N 9 115.000 122.070 -7.070 1
1 95 . 5 1 1 A 10 10 HIS HA H 10 4.790 4.483 0.307 1
1 100 . 5 1 1 A 10 10 HIS C C 10 174.700 174.128 0.572 1
1 101 . 5 1 1 A 10 10 HIS CA C 10 55.700 55.615 0.085 1
1 102 . 5 1 1 A 10 10 HIS CB C 10 29.800 30.292 -0.492 1
1 105 . 5 1 1 A 11 11 ALA H H 11 8.790 7.911 0.879 1
1 106 . 5 1 1 A 11 11 ALA HA H 11 4.310 3.917 0.393 1
1 110 . 5 1 1 A 11 11 ALA C C 11 177.800 175.809 1.991 1
1 111 . 5 1 1 A 11 11 ALA CA C 11 53.400 53.803 -0.403 1
1 112 . 5 1 1 A 11 11 ALA CB C 11 18.600 18.092 0.508 1
1 113 . 5 1 1 A 11 11 ALA N N 11 124.500 123.962 0.538 1
1 114 . 5 1 1 A 12 12 LEU H H 12 8.480 8.447 0.033 1
1 115 . 5 1 1 A 12 12 LEU HA H 12 4.640 4.929 -0.289 1
1 125 . 5 1 1 A 12 12 LEU C C 12 176.900 175.332 1.568 1
1 126 . 5 1 1 A 12 12 LEU CA C 12 53.500 53.348 0.152 1
1 127 . 5 1 1 A 12 12 LEU CB C 12 44.100 45.120 -1.020 1
1 131 . 5 1 1 A 12 12 LEU N N 12 121.200 121.711 -0.511 1
1 132 . 5 1 1 A 13 13 GLU H H 13 8.600 9.372 -0.772 1
1 133 . 5 1 1 A 13 13 GLU HA H 13 4.590 4.967 -0.377 1
1 138 . 5 1 1 A 13 13 GLU C C 13 175.700 175.557 0.143 1
1 139 . 5 1 1 A 13 13 GLU CA C 13 54.700 54.736 -0.036 1
1 140 . 5 1 1 A 13 13 GLU CB C 13 30.200 32.246 -2.046 1
1 142 . 5 1 1 A 13 13 GLU N N 13 120.300 121.796 -1.496 1
1 143 . 5 1 1 A 14 14 ARG H H 14 9.010 8.696 0.314 1
1 144 . 5 1 1 A 14 14 ARG HA H 14 4.460 4.463 -0.003 1
1 151 . 5 1 1 A 14 14 ARG C C 14 174.900 176.685 -1.785 1
1 152 . 5 1 1 A 14 14 ARG CA C 14 56.400 56.137 0.263 1
1 153 . 5 1 1 A 14 14 ARG CB C 14 31.800 30.666 1.134 1
1 156 . 5 1 1 A 14 14 ARG N N 14 126.500 125.681 0.819 1
1 157 . 5 1 1 A 15 15 ASN H H 15 8.670 9.098 -0.428 1
1 158 . 5 1 1 A 15 15 ASN HA H 15 4.850 4.642 0.208 1
1 161 . 5 1 1 A 15 15 ASN C C 15 174.900 175.464 -0.564 1
1 162 . 5 1 1 A 15 15 ASN CA C 15 52.100 53.164 -1.064 1
1 163 . 5 1 1 A 15 15 ASN CB C 15 39.200 39.234 -0.034 1
1 164 . 5 1 1 A 15 15 ASN N N 15 125.100 120.980 4.120 1
1 165 . 5 1 1 A 16 16 GLY H H 16 8.880 7.426 1.454 1
1 166 . 5 1 1 A 16 16 GLY HA2 H 16 3.570 4.028 -0.458 1
1 167 . 5 1 1 A 16 16 GLY HA3 H 16 4.000 4.039 -0.039 1
1 168 . 5 1 1 A 16 16 GLY C C 16 173.700 174.286 -0.586 1
1 169 . 5 1 1 A 16 16 GLY CA C 16 47.200 45.655 1.545 1
1 170 . 5 1 1 A 16 16 GLY N N 16 114.400 107.106 7.294 1
1 171 . 5 1 1 A 17 17 ASP H H 17 8.600 8.732 -0.132 1
1 172 . 5 1 1 A 17 17 ASP HA H 17 4.600 4.733 -0.133 1
1 175 . 5 1 1 A 17 17 ASP C C 17 174.800 175.833 -1.033 1
1 176 . 5 1 1 A 17 17 ASP CA C 17 53.800 55.123 -1.323 1
1 177 . 5 1 1 A 17 17 ASP CB C 17 40.200 41.767 -1.567 1
1 178 . 5 1 1 A 17 17 ASP N N 17 126.400 123.636 2.764 1
1 179 . 5 1 1 A 18 18 THR H H 18 7.710 7.697 0.013 1
1 180 . 5 1 1 A 18 18 THR HA H 18 5.120 5.123 -0.003 1
1 185 . 5 1 1 A 18 18 THR C C 18 171.900 173.513 -1.613 1
1 186 . 5 1 1 A 18 18 THR CA C 18 60.400 59.318 1.082 1
1 187 . 5 1 1 A 18 18 THR CB C 18 72.300 72.061 0.239 1
1 189 . 5 1 1 A 18 18 THR N N 18 112.300 108.458 3.842 1
1 190 . 5 1 1 A 19 19 ALA H H 19 9.090 9.106 -0.016 1
1 191 . 5 1 1 A 19 19 ALA HA H 19 5.250 5.603 -0.353 1
1 195 . 5 1 1 A 19 19 ALA C C 19 175.000 175.670 -0.670 1
1 196 . 5 1 1 A 19 19 ALA CA C 19 50.300 50.186 0.114 1
1 197 . 5 1 1 A 19 19 ALA CB C 19 23.900 22.884 1.016 1
1 198 . 5 1 1 A 19 19 ALA N N 19 123.300 124.203 -0.903 1
1 199 . 5 1 1 A 20 20 HIS H H 20 9.130 8.629 0.501 1
1 200 . 5 1 1 A 20 20 HIS HA H 20 5.550 5.067 0.483 1
1 205 . 5 1 1 A 20 20 HIS C C 20 173.100 173.705 -0.605 1
1 206 . 5 1 1 A 20 20 HIS CA C 20 54.700 55.532 -0.832 1
1 207 . 5 1 1 A 20 20 HIS CB C 20 31.900 33.496 -1.596 1
1 210 . 5 1 1 A 20 20 HIS N N 20 120.000 120.417 -0.417 1
1 211 . 5 1 1 A 21 21 CYS H H 21 8.910 8.958 -0.048 1
1 212 . 5 1 1 A 21 21 CYS HA H 21 4.700 4.378 0.322 1
1 215 . 5 1 1 A 21 21 CYS C C 21 176.400 175.128 1.272 1
1 216 . 5 1 1 A 21 21 CYS CA C 21 57.900 57.773 0.127 1
1 217 . 5 1 1 A 21 21 CYS CB C 21 31.700 27.432 4.268 1
1 218 . 5 1 1 A 21 21 CYS N N 21 129.200 124.326 4.874 1
1 219 . 5 1 1 A 22 22 GLU H H 22 9.030 8.689 0.341 1
1 220 . 5 1 1 A 22 22 GLU HA H 22 4.130 4.232 -0.102 1
1 225 . 5 1 1 A 22 22 GLU C C 22 177.400 176.819 0.581 1
1 226 . 5 1 1 A 22 22 GLU CA C 22 58.200 58.141 0.059 1
1 227 . 5 1 1 A 22 22 GLU CB C 22 29.500 29.626 -0.126 1
1 229 . 5 1 1 A 22 22 GLU N N 22 128.800 123.808 4.992 1
1 230 . 5 1 1 A 23 23 THR H H 23 8.360 7.830 0.530 1
1 231 . 5 1 1 A 23 23 THR HA H 23 3.920 4.458 -0.538 1
1 236 . 5 1 1 A 23 23 THR C C 23 176.500 174.343 2.157 1
1 237 . 5 1 1 A 23 23 THR CA C 23 66.800 62.866 3.934 1
1 238 . 5 1 1 A 23 23 THR CB C 23 69.100 69.405 -0.305 1
1 240 . 5 1 1 A 23 23 THR N N 23 119.800 112.380 7.420 1
1 241 . 5 1 1 A 24 24 CYS H H 24 9.570 7.557 2.013 1
1 242 . 5 1 1 A 24 24 CYS HA H 24 3.880 4.719 -0.839 1
1 245 . 5 1 1 A 24 24 CYS C C 24 174.900 172.507 2.393 1
1 246 . 5 1 1 A 24 24 CYS CA C 24 62.000 57.221 4.779 1
1 247 . 5 1 1 A 24 24 CYS CB C 24 30.300 29.699 0.601 1
1 248 . 5 1 1 A 24 24 CYS N N 24 123.600 115.986 7.614 1
1 249 . 5 1 1 A 25 25 ALA H H 25 7.720 8.542 -0.822 1
1 250 . 5 1 1 A 25 25 ALA HA H 25 3.820 4.734 -0.914 1
1 254 . 5 1 1 A 25 25 ALA C C 25 175.400 175.705 -0.305 1
1 255 . 5 1 1 A 25 25 ALA CA C 25 52.500 50.818 1.682 1
1 256 . 5 1 1 A 25 25 ALA CB C 25 16.000 18.951 -2.951 1
1 257 . 5 1 1 A 25 25 ALA N N 25 121.400 123.439 -2.039 1
1 258 . 5 1 1 A 26 26 LYS H H 26 6.910 7.811 -0.901 1
1 259 . 5 1 1 A 26 26 LYS HA H 26 4.450 4.683 -0.233 1
1 268 . 5 1 1 A 26 26 LYS CA C 26 54.600 54.569 0.031 1
1 269 . 5 1 1 A 26 26 LYS CB C 26 37.900 35.746 2.154 1
1 273 . 5 1 1 A 26 26 LYS N N 26 116.100 119.141 -3.041 1
1 274 . 5 1 1 A 27 27 ASP HA H 27 5.610 5.245 0.365 1
1 277 . 5 1 1 A 27 27 ASP C C 27 174.400 174.771 -0.371 1
1 278 . 5 1 1 A 27 27 ASP CA C 27 53.000 52.365 0.635 1
1 279 . 5 1 1 A 27 27 ASP CB C 27 44.200 44.177 0.023 1
1 280 . 5 1 1 A 28 28 PHE H H 28 9.200 9.764 -0.564 1
1 281 . 5 1 1 A 28 28 PHE HA H 28 4.890 5.082 -0.192 1
1 289 . 5 1 1 A 28 28 PHE C C 28 175.500 175.469 0.031 1
1 290 . 5 1 1 A 28 28 PHE CA C 28 56.800 56.245 0.555 1
1 291 . 5 1 1 A 28 28 PHE CB C 28 42.900 41.517 1.383 1
1 297 . 5 1 1 A 28 28 PHE N N 28 118.100 121.561 -3.461 1
1 298 . 5 1 1 A 29 29 SER H H 29 9.070 9.067 0.003 1
1 299 . 5 1 1 A 29 29 SER HA H 29 4.750 4.841 -0.091 1
1 302 . 5 1 1 A 29 29 SER C C 29 173.400 174.245 -0.845 1
1 303 . 5 1 1 A 29 29 SER CA C 29 58.400 58.912 -0.512 1
1 304 . 5 1 1 A 29 29 SER CB C 29 64.100 63.771 0.329 1
1 305 . 5 1 1 A 29 29 SER N N 29 118.400 120.844 -2.444 1
1 306 . 5 1 1 A 30 30 LEU H H 30 8.180 9.179 -0.999 1
1 307 . 5 1 1 A 30 30 LEU HA H 30 5.200 4.954 0.246 1
1 317 . 5 1 1 A 30 30 LEU CA C 30 53.100 53.766 -0.666 1
1 318 . 5 1 1 A 30 30 LEU CB C 30 44.800 43.120 1.680 1
1 322 . 5 1 1 A 30 30 LEU N N 30 122.200 127.482 -5.282 1
1 323 . 5 1 1 A 31 31 GLN HA H 31 4.680 4.468 0.212 1
1 328 . 5 1 1 A 31 31 GLN C C 31 173.600 174.593 -0.993 1
1 329 . 5 1 1 A 31 31 GLN CA C 31 54.200 54.365 -0.165 1
1 330 . 5 1 1 A 31 31 GLN CB C 31 31.800 29.241 2.559 1
1 332 . 5 1 1 A 32 32 ALA H H 32 8.560 8.474 0.086 1
1 333 . 5 1 1 A 32 32 ALA HA H 32 3.990 3.955 0.035 1
1 337 . 5 1 1 A 32 32 ALA C C 32 175.600 176.426 -0.826 1
1 338 . 5 1 1 A 32 32 ALA CA C 32 50.900 51.694 -0.794 1
1 339 . 5 1 1 A 32 32 ALA CB C 32 20.300 18.388 1.912 1
1 340 . 5 1 1 A 32 32 ALA N N 32 128.100 128.229 -0.129 1
1 341 . 5 1 1 A 33 33 LEU H H 33 8.740 8.955 -0.215 1
1 342 . 5 1 1 A 33 33 LEU HA H 33 4.560 4.892 -0.332 1
1 352 . 5 1 1 A 33 33 LEU C C 33 175.400 175.398 0.002 1
1 353 . 5 1 1 A 33 33 LEU CA C 33 52.700 53.762 -1.062 1
1 354 . 5 1 1 A 33 33 LEU CB C 33 44.200 44.573 -0.373 1
1 358 . 5 1 1 A 33 33 LEU N N 33 124.500 125.563 -1.063 1
1 359 . 5 1 1 A 34 34 CYS H H 34 8.260 8.841 -0.581 1
1 360 . 5 1 1 A 34 34 CYS HA H 34 4.270 4.898 -0.628 1
1 363 . 5 1 1 A 34 34 CYS CA C 34 56.900 57.211 -0.311 1
1 364 . 5 1 1 A 34 34 CYS CB C 34 31.400 28.502 2.898 1
1 365 . 5 1 1 A 34 34 CYS N N 34 123.600 122.469 1.131 1
1 366 . 5 1 1 A 35 35 PRO HA H 35 4.290 4.314 -0.024 1
1 373 . 5 1 1 A 35 35 PRO C C 35 176.100 177.670 -1.570 1
1 374 . 5 1 1 A 35 35 PRO CA C 35 63.700 65.288 -1.588 1
1 375 . 5 1 1 A 35 35 PRO CB C 35 31.600 31.939 -0.339 1
1 378 . 5 1 1 A 36 36 ASP H H 36 8.980 8.293 0.687 1
1 379 . 5 1 1 A 36 36 ASP HA H 36 4.600 4.386 0.214 1
1 382 . 5 1 1 A 36 36 ASP C C 36 176.500 176.904 -0.404 1
1 383 . 5 1 1 A 36 36 ASP CA C 36 56.400 56.752 -0.352 1
1 384 . 5 1 1 A 36 36 ASP CB C 36 40.100 41.063 -0.963 1
1 385 . 5 1 1 A 36 36 ASP N N 36 122.200 116.941 5.259 1
1 386 . 5 1 1 A 37 37 CYS H H 37 7.840 8.137 -0.297 1
1 387 . 5 1 1 A 37 37 CYS HA H 37 5.000 4.522 0.478 1
1 390 . 5 1 1 A 37 37 CYS C C 37 175.400 173.453 1.947 1
1 391 . 5 1 1 A 37 37 CYS CA C 37 58.400 58.487 -0.087 1
1 392 . 5 1 1 A 37 37 CYS CB C 37 32.300 26.844 5.456 1
1 393 . 5 1 1 A 37 37 CYS N N 37 116.000 116.176 -0.176 1
1 394 . 5 1 1 A 38 38 ARG H H 38 7.880 8.380 -0.500 1
1 395 . 5 1 1 A 38 38 ARG HA H 38 4.050 4.609 -0.559 1
1 402 . 5 1 1 A 38 38 ARG C C 38 173.700 174.996 -1.296 1
1 403 . 5 1 1 A 38 38 ARG CA C 38 58.100 55.464 2.636 1
1 404 . 5 1 1 A 38 38 ARG CB C 38 27.400 29.684 -2.284 1
1 407 . 5 1 1 A 38 38 ARG N N 38 117.700 127.447 -9.747 1
1 408 . 5 1 1 A 39 39 GLN H H 39 7.720 8.173 -0.453 1
1 409 . 5 1 1 A 39 39 GLN HA H 39 4.710 4.815 -0.105 1
1 414 . 5 1 1 A 39 39 GLN CA C 39 53.900 52.671 1.229 1
1 415 . 5 1 1 A 39 39 GLN CB C 39 28.100 31.856 -3.756 1
1 417 . 5 1 1 A 39 39 GLN N N 39 117.500 124.785 -7.285 1
1 418 . 5 1 1 A 40 40 PRO HA H 40 4.570 4.381 0.189 1
1 425 . 5 1 1 A 40 40 PRO C C 40 176.600 177.345 -0.745 1
1 426 . 5 1 1 A 40 40 PRO CA C 40 63.700 63.346 0.354 1
1 427 . 5 1 1 A 40 40 PRO CB C 40 31.900 31.814 0.086 1
1 430 . 5 1 1 A 41 41 LEU H H 41 8.170 8.161 0.009 1
1 431 . 5 1 1 A 41 41 LEU HA H 41 4.460 4.229 0.231 1
1 441 . 5 1 1 A 41 41 LEU C C 41 177.200 177.159 0.041 1
1 442 . 5 1 1 A 41 41 LEU CA C 41 54.000 54.255 -0.255 1
1 443 . 5 1 1 A 41 41 LEU CB C 41 43.200 42.241 0.959 1
1 447 . 5 1 1 A 41 41 LEU N N 41 124.100 123.799 0.301 1
1 448 . 5 1 1 A 42 42 GLN H H 42 9.240 8.398 0.842 1
1 449 . 5 1 1 A 42 42 GLN HA H 42 4.490 4.614 -0.124 1
1 454 . 5 1 1 A 42 42 GLN C C 42 175.000 175.196 -0.196 1
1 455 . 5 1 1 A 42 42 GLN CA C 42 55.300 55.843 -0.543 1
1 456 . 5 1 1 A 42 42 GLN CB C 42 29.600 29.494 0.106 1
1 458 . 5 1 1 A 42 42 GLN N N 42 122.100 120.225 1.875 1
1 459 . 5 1 1 A 43 43 VAL H H 43 8.600 8.576 0.024 1
1 460 . 5 1 1 A 43 43 VAL HA H 43 4.260 4.068 0.192 1
1 468 . 5 1 1 A 43 43 VAL C C 43 175.500 175.270 0.230 1
1 469 . 5 1 1 A 43 43 VAL CA C 43 62.100 62.913 -0.813 1
1 470 . 5 1 1 A 43 43 VAL CB C 43 32.000 30.868 1.132 1
1 473 . 5 1 1 A 43 43 VAL N N 43 126.400 125.578 0.822 1
1 474 . 5 1 1 A 44 44 LEU H H 44 8.940 9.397 -0.457 1
1 475 . 5 1 1 A 44 44 LEU HA H 44 4.510 4.735 -0.225 1
1 485 . 5 1 1 A 44 44 LEU C C 44 175.500 175.598 -0.098 1
1 486 . 5 1 1 A 44 44 LEU CA C 44 53.400 54.207 -0.807 1
1 487 . 5 1 1 A 44 44 LEU CB C 44 42.800 40.899 1.901 1
1 491 . 5 1 1 A 44 44 LEU N N 44 130.200 129.308 0.892 1
1 492 . 5 1 1 A 45 45 LYS H H 45 8.520 7.679 0.841 1
1 493 . 5 1 1 A 45 45 LYS HA H 45 4.830 4.927 -0.097 1
1 502 . 5 1 1 A 45 45 LYS C C 45 175.600 175.070 0.530 1
1 503 . 5 1 1 A 45 45 LYS CA C 45 55.700 55.622 0.078 1
1 504 . 5 1 1 A 45 45 LYS CB C 45 33.500 32.467 1.033 1
1 508 . 5 1 1 A 45 45 LYS N N 45 123.700 123.174 0.526 1
1 509 . 5 1 1 A 46 46 ALA H H 46 8.220 8.529 -0.309 1
1 510 . 5 1 1 A 46 46 ALA HA H 46 4.540 4.456 0.084 1
1 514 . 5 1 1 A 46 46 ALA C C 46 176.900 177.364 -0.464 1
1 515 . 5 1 1 A 46 46 ALA CA C 46 51.900 50.997 0.903 1
1 516 . 5 1 1 A 46 46 ALA CB C 46 20.700 18.418 2.282 1
1 517 . 5 1 1 A 46 46 ALA N N 46 126.400 128.401 -2.001 1
1 518 . 5 1 1 A 47 47 CYS H H 47 9.200 8.589 0.611 1
1 519 . 5 1 1 A 47 47 CYS HA H 47 4.080 4.203 -0.123 1
1 522 . 5 1 1 A 47 47 CYS C C 47 175.100 174.811 0.289 1
1 523 . 5 1 1 A 47 47 CYS CA C 47 59.700 60.559 -0.859 1
1 524 . 5 1 1 A 47 47 CYS CB C 47 25.800 26.401 -0.601 1
1 525 . 5 1 1 A 47 47 CYS N N 47 120.400 123.689 -3.289 1
1 526 . 5 1 1 A 48 48 GLY H H 48 8.620 8.354 0.266 1
1 527 . 5 1 1 A 48 48 GLY HA2 H 48 3.670 4.013 -0.343 1
1 528 . 5 1 1 A 48 48 GLY HA3 H 48 4.070 4.014 0.056 1
1 529 . 5 1 1 A 48 48 GLY C C 48 173.100 174.540 -1.440 1
1 530 . 5 1 1 A 48 48 GLY CA C 48 45.500 45.470 0.030 1
1 531 . 5 1 1 A 48 48 GLY N N 48 109.000 106.573 2.427 1
1 532 . 5 1 1 A 49 49 ALA H H 49 7.820 7.767 0.053 1
1 533 . 5 1 1 A 49 49 ALA HA H 49 4.620 4.469 0.151 1
1 537 . 5 1 1 A 49 49 ALA C C 49 176.000 177.852 -1.852 1
1 538 . 5 1 1 A 49 49 ALA CA C 49 51.000 51.953 -0.953 1
1 539 . 5 1 1 A 49 49 ALA CB C 49 21.300 19.814 1.486 1
1 540 . 5 1 1 A 49 49 ALA N N 49 124.000 124.235 -0.235 1
1 541 . 5 1 1 A 50 50 VAL H H 50 8.100 8.689 -0.589 1
1 542 . 5 1 1 A 50 50 VAL HA H 50 4.560 4.741 -0.181 1
1 550 . 5 1 1 A 50 50 VAL C C 50 174.300 173.872 0.428 1
1 551 . 5 1 1 A 50 50 VAL CA C 50 61.400 59.876 1.524 1
1 552 . 5 1 1 A 50 50 VAL CB C 50 33.800 33.339 0.461 1
1 555 . 5 1 1 A 50 50 VAL N N 50 119.600 116.941 2.659 1
1 556 . 5 1 1 A 51 51 ASP H H 51 8.640 8.310 0.330 1
1 557 . 5 1 1 A 51 51 ASP HA H 51 5.030 4.971 0.059 1
1 560 . 5 1 1 A 51 51 ASP C C 51 173.000 173.926 -0.926 1
1 561 . 5 1 1 A 51 51 ASP CA C 51 52.000 53.042 -1.042 1
1 562 . 5 1 1 A 51 51 ASP CB C 51 43.900 44.424 -0.524 1
1 563 . 5 1 1 A 51 51 ASP N N 51 124.900 123.987 0.913 1
1 564 . 5 1 1 A 52 52 TYR H H 52 8.950 8.849 0.101 1
1 565 . 5 1 1 A 52 52 TYR HA H 52 5.150 5.235 -0.085 1
1 572 . 5 1 1 A 52 52 TYR C C 52 174.500 174.959 -0.459 1
1 573 . 5 1 1 A 52 52 TYR CA C 52 57.300 56.425 0.875 1
1 574 . 5 1 1 A 52 52 TYR CB C 52 41.200 39.324 1.876 1
1 579 . 5 1 1 A 52 52 TYR N N 52 118.500 125.928 -7.428 1
1 580 . 5 1 1 A 53 53 PHE H H 53 9.250 8.567 0.683 1
1 581 . 5 1 1 A 53 53 PHE HA H 53 5.040 4.942 0.098 1
1 588 . 5 1 1 A 53 53 PHE C C 53 173.200 174.277 -1.077 1
1 589 . 5 1 1 A 53 53 PHE CA C 53 56.400 57.812 -1.412 1
1 590 . 5 1 1 A 53 53 PHE CB C 53 44.300 42.407 1.893 1
1 595 . 5 1 1 A 53 53 PHE N N 53 123.100 123.546 -0.446 1
1 596 . 5 1 1 A 54 54 CYS H H 54 9.160 8.576 0.584 1
1 597 . 5 1 1 A 54 54 CYS HA H 54 4.690 4.283 0.407 1
1 600 . 5 1 1 A 54 54 CYS C C 54 175.700 174.546 1.154 1
1 601 . 5 1 1 A 54 54 CYS CA C 54 58.200 57.911 0.289 1
1 602 . 5 1 1 A 54 54 CYS CB C 54 29.600 25.727 3.873 1
1 603 . 5 1 1 A 54 54 CYS N N 54 130.800 125.229 5.571 1
1 604 . 5 1 1 A 55 55 GLN H H 55 9.260 8.445 0.815 1
1 605 . 5 1 1 A 55 55 GLN HA H 55 4.300 4.384 -0.084 1
1 610 . 5 1 1 A 55 55 GLN C C 55 174.400 177.411 -3.011 1
1 611 . 5 1 1 A 55 55 GLN CA C 55 56.900 58.687 -1.787 1
1 612 . 5 1 1 A 55 55 GLN CB C 55 28.900 29.070 -0.170 1
1 614 . 5 1 1 A 55 55 GLN N N 55 129.000 126.985 2.015 1
1 615 . 5 1 1 A 56 56 ASN H H 56 9.100 8.474 0.626 1
1 616 . 5 1 1 A 56 56 ASN HA H 56 4.860 4.876 -0.016 1
1 619 . 5 1 1 A 56 56 ASN C C 56 174.100 175.564 -1.464 1
1 620 . 5 1 1 A 56 56 ASN CA C 56 52.100 54.793 -2.693 1
1 621 . 5 1 1 A 56 56 ASN CB C 56 39.500 39.653 -0.153 1
1 622 . 5 1 1 A 56 56 ASN N N 56 122.300 115.496 6.804 1
1 623 . 5 1 1 A 57 57 GLY H H 57 7.180 7.736 -0.556 1
1 624 . 5 1 1 A 57 57 GLY HA2 H 57 3.450 4.081 -0.631 1
1 625 . 5 1 1 A 57 57 GLY HA3 H 57 4.000 4.118 -0.118 1
1 626 . 5 1 1 A 57 57 GLY C C 57 175.800 175.041 0.759 1
1 627 . 5 1 1 A 57 57 GLY CA C 57 45.100 44.503 0.597 1
1 628 . 5 1 1 A 57 57 GLY N N 57 104.200 108.701 -4.501 1
1 629 . 5 1 1 A 58 58 HIS H H 58 7.380 9.059 -1.679 1
1 630 . 5 1 1 A 58 58 HIS HA H 58 4.620 4.177 0.443 1
1 633 . 5 1 1 A 58 58 HIS C C 58 174.100 174.130 -0.030 1
1 634 . 5 1 1 A 58 58 HIS CA C 58 59.600 59.013 0.587 1
1 635 . 5 1 1 A 58 58 HIS CB C 58 30.100 28.144 1.956 1
1 636 . 5 1 1 A 58 58 HIS N N 58 116.000 116.491 -0.491 1
1 637 . 5 1 1 A 59 59 GLY H H 59 7.610 7.726 -0.116 1
1 638 . 5 1 1 A 59 59 GLY HA2 H 59 2.930 3.989 -1.059 1
1 639 . 5 1 1 A 59 59 GLY HA3 H 59 3.700 3.990 -0.290 1
1 640 . 5 1 1 A 59 59 GLY C C 59 173.100 173.018 0.082 1
1 641 . 5 1 1 A 59 59 GLY CA C 59 45.500 45.568 -0.068 1
1 642 . 5 1 1 A 59 59 GLY N N 59 108.000 103.739 4.261 1
1 643 . 5 1 1 A 60 60 LEU H H 60 8.450 8.444 0.006 1
1 644 . 5 1 1 A 60 60 LEU HA H 60 4.620 3.879 0.741 1
1 654 . 5 1 1 A 60 60 LEU C C 60 176.800 176.269 0.531 1
1 655 . 5 1 1 A 60 60 LEU CA C 60 55.700 54.251 1.449 1
1 656 . 5 1 1 A 60 60 LEU CB C 60 42.200 41.680 0.520 1
1 660 . 5 1 1 A 60 60 LEU N N 60 124.300 122.157 2.143 1
1 661 . 5 1 1 A 61 61 ILE H H 61 8.740 8.221 0.519 1
1 662 . 5 1 1 A 61 61 ILE HA H 61 4.200 4.114 0.086 1
1 672 . 5 1 1 A 61 61 ILE C C 61 175.500 176.018 -0.518 1
1 673 . 5 1 1 A 61 61 ILE CA C 61 57.000 61.041 -4.041 1
1 674 . 5 1 1 A 61 61 ILE CB C 61 37.400 38.017 -0.617 1
1 678 . 5 1 1 A 61 61 ILE N N 61 128.500 126.183 2.317 1
1 679 . 5 1 1 A 62 62 SER H H 62 8.490 8.586 -0.096 1
1 680 . 5 1 1 A 62 62 SER HA H 62 4.380 4.545 -0.165 1
1 683 . 5 1 1 A 62 62 SER C C 62 176.500 174.869 1.631 1
1 684 . 5 1 1 A 62 62 SER CA C 62 58.300 60.355 -2.055 1
1 685 . 5 1 1 A 62 62 SER CB C 62 63.500 64.138 -0.638 1
1 686 . 5 1 1 A 62 62 SER N N 62 121.700 122.194 -0.494 1
1 687 . 5 1 1 A 63 63 LYS H H 63 9.040 8.845 0.195 1
1 688 . 5 1 1 A 63 63 LYS HA H 63 3.910 4.205 -0.295 1
1 697 . 5 1 1 A 63 63 LYS C C 63 178.200 178.385 -0.185 1
1 698 . 5 1 1 A 63 63 LYS CA C 63 60.300 59.309 0.991 1
1 699 . 5 1 1 A 63 63 LYS CB C 63 32.000 32.712 -0.712 1
1 703 . 5 1 1 A 63 63 LYS N N 63 126.000 125.665 0.335 1
1 704 . 5 1 1 A 64 64 LYS H H 64 8.090 8.008 0.082 1
1 705 . 5 1 1 A 64 64 LYS HA H 64 4.190 4.314 -0.124 1
1 714 . 5 1 1 A 64 64 LYS C C 64 177.000 177.736 -0.736 1
1 715 . 5 1 1 A 64 64 LYS CA C 64 58.000 58.667 -0.667 1
1 716 . 5 1 1 A 64 64 LYS CB C 64 32.300 32.407 -0.107 1
1 720 . 5 1 1 A 64 64 LYS N N 64 115.400 117.961 -2.561 1
1 721 . 5 1 1 A 65 65 ARG H H 65 7.960 7.942 0.018 1
1 722 . 5 1 1 A 65 65 ARG HA H 65 4.280 4.471 -0.191 1
1 729 . 5 1 1 A 65 65 ARG C C 65 176.000 176.117 -0.117 1
1 730 . 5 1 1 A 65 65 ARG CA C 65 55.900 55.563 0.337 1
1 731 . 5 1 1 A 65 65 ARG CB C 65 32.000 31.223 0.777 1
1 734 . 5 1 1 A 65 65 ARG N N 65 116.600 116.907 -0.307 1
1 735 . 5 1 1 A 66 66 VAL H H 66 6.810 7.463 -0.653 1
1 736 . 5 1 1 A 66 66 VAL HA H 66 2.800 3.997 -1.197 1
1 744 . 5 1 1 A 66 66 VAL C C 66 174.500 174.944 -0.444 1
1 745 . 5 1 1 A 66 66 VAL CA C 66 65.000 62.871 2.129 1
1 746 . 5 1 1 A 66 66 VAL CB C 66 32.000 32.354 -0.354 1
1 749 . 5 1 1 A 66 66 VAL N N 66 119.600 120.927 -1.327 1
1 750 . 5 1 1 A 67 67 ASN H H 67 7.270 8.971 -1.701 1
1 751 . 5 1 1 A 67 67 ASN HA H 67 4.840 5.069 -0.229 1
1 756 . 5 1 1 A 67 67 ASN C C 67 173.200 174.006 -0.806 1
1 757 . 5 1 1 A 67 67 ASN CA C 67 51.200 51.548 -0.348 1
1 758 . 5 1 1 A 67 67 ASN CB C 67 39.100 38.818 0.282 1
1 759 . 5 1 1 A 67 67 ASN N N 67 123.500 126.721 -3.221 1
1 761 . 5 1 1 A 68 68 PHE H H 68 8.180 9.169 -0.989 1
1 762 . 5 1 1 A 68 68 PHE HA H 68 5.170 4.744 0.426 1
1 770 . 5 1 1 A 68 68 PHE C C 68 175.300 175.136 0.164 1
1 771 . 5 1 1 A 68 68 PHE CA C 68 58.000 58.127 -0.127 1
1 772 . 5 1 1 A 68 68 PHE CB C 68 41.100 38.372 2.728 1
1 778 . 5 1 1 A 68 68 PHE N N 68 123.300 126.324 -3.024 1
1 779 . 5 1 1 A 69 69 VAL H H 69 8.660 9.003 -0.343 1
1 780 . 5 1 1 A 69 69 VAL HA H 69 4.520 4.449 0.071 1
1 788 . 5 1 1 A 69 69 VAL C C 69 175.100 175.730 -0.630 1
1 789 . 5 1 1 A 69 69 VAL CA C 69 59.200 62.167 -2.967 1
1 790 . 5 1 1 A 69 69 VAL CB C 69 35.100 32.736 2.364 1
1 793 . 5 1 1 A 69 69 VAL N N 69 116.500 124.852 -8.352 1
1 794 . 5 1 1 A 70 70 ILE H H 70 8.480 8.553 -0.073 1
1 795 . 5 1 1 A 70 70 ILE HA H 70 4.350 4.481 -0.131 1
1 805 . 5 1 1 A 70 70 ILE C C 70 176.400 174.936 1.464 1
1 806 . 5 1 1 A 70 70 ILE CA C 70 61.300 61.799 -0.499 1
1 807 . 5 1 1 A 70 70 ILE CB C 70 38.200 36.474 1.726 1
1 811 . 5 1 1 A 70 70 ILE N N 70 123.100 128.820 -5.720 1
1 812 . 5 1 1 A 71 71 SER H H 71 8.770 8.217 0.553 1
1 813 . 5 1 1 A 71 71 SER HA H 71 4.550 4.747 -0.197 1
1 816 . 5 1 1 A 71 71 SER C C 71 174.200 172.536 1.664 1
1 817 . 5 1 1 A 71 71 SER CA C 71 57.700 56.824 0.876 1
1 818 . 5 1 1 A 71 71 SER CB C 71 64.100 64.661 -0.561 1
1 819 . 5 1 1 A 71 71 SER N N 71 122.200 121.573 0.627 1
1 820 . 5 1 1 A 72 72 ASP H H 72 8.470 8.692 -0.222 1
1 821 . 5 1 1 A 72 72 ASP HA H 72 4.720 4.929 -0.209 1
1 824 . 5 1 1 A 72 72 ASP C C 72 176.100 176.647 -0.547 1
1 825 . 5 1 1 A 72 72 ASP CA C 72 54.200 53.498 0.702 1
1 826 . 5 1 1 A 72 72 ASP CB C 72 41.200 41.025 0.175 1
1 827 . 5 1 1 A 72 72 ASP N N 72 122.700 127.288 -4.588 1
1 828 . 5 1 1 A 73 73 GLN H H 73 8.490 8.401 0.089 1
1 829 . 5 1 1 A 73 73 GLN HA H 73 4.310 4.773 -0.463 1
1 834 . 5 1 1 A 73 73 GLN C C 73 176.000 177.236 -1.236 1
1 835 . 5 1 1 A 73 73 GLN CA C 73 56.100 54.822 1.278 1
1 836 . 5 1 1 A 73 73 GLN CB C 73 29.200 28.139 1.061 1
1 838 . 5 1 1 A 73 73 GLN N N 73 120.300 120.124 0.176 1
1 839 . 5 1 1 A 74 74 LEU H H 74 8.250 7.744 0.506 1
1 840 . 5 1 1 A 74 74 LEU HA H 74 4.250 4.041 0.209 1
1 850 . 5 1 1 A 74 74 LEU C C 74 177.100 178.116 -1.016 1
1 851 . 5 1 1 A 74 74 LEU CA C 74 55.200 57.557 -2.357 1
1 852 . 5 1 1 A 74 74 LEU CB C 74 42.100 41.493 0.607 1
1 856 . 5 1 1 A 74 74 LEU N N 74 123.000 121.968 1.032 1
1 857 . 5 1 1 A 75 75 GLU H H 75 8.260 8.014 0.246 1
1 858 . 5 1 1 A 75 75 GLU HA H 75 4.170 4.153 0.017 1
1 863 . 5 1 1 A 75 75 GLU C C 75 176.200 175.799 0.401 1
1 864 . 5 1 1 A 75 75 GLU CA C 75 56.300 55.248 1.052 1
1 865 . 5 1 1 A 75 75 GLU CB C 75 29.800 28.671 1.129 1
1 867 . 5 1 1 A 75 75 GLU N N 75 120.700 115.400 5.300 1
1 868 . 5 1 1 A 76 76 HIS H H 76 8.480 7.963 0.517 1
1 869 . 5 1 1 A 76 76 HIS HA H 76 4.610 4.143 0.467 1
1 872 . 5 1 1 A 76 76 HIS C C 76 174.200 174.221 -0.021 1
1 873 . 5 1 1 A 76 76 HIS CA C 76 55.100 56.312 -1.212 1
1 874 . 5 1 1 A 76 76 HIS CB C 76 28.700 27.829 0.871 1
1 875 . 5 1 1 A 76 76 HIS N N 76 119.100 114.496 4.604 1
1 876 . 5 1 1 A 77 77 HIS H H 77 8.540 8.328 0.212 1
1 877 . 5 1 1 A 77 77 HIS HA H 77 4.620 4.479 0.141 1
1 880 . 5 1 1 A 77 77 HIS C C 77 174.100 174.042 0.058 1
1 881 . 5 1 1 A 77 77 HIS CA C 77 55.300 57.525 -2.225 1
1 882 . 5 1 1 A 77 77 HIS CB C 77 28.900 29.600 -0.700 1
1 883 . 5 1 1 A 77 77 HIS N N 77 118.700 119.650 -0.950 1
1 884 . 5 1 1 A 78 78 HIS H H 78 8.630 8.433 0.197 1
1 885 . 5 1 1 A 78 78 HIS HA H 78 4.660 4.969 -0.309 1
1 888 . 5 1 1 A 78 78 HIS C C 78 174.100 174.701 -0.601 1
1 889 . 5 1 1 A 78 78 HIS CA C 78 55.200 54.316 0.884 1
1 890 . 5 1 1 A 78 78 HIS CB C 78 29.100 32.438 -3.338 1
1 891 . 5 1 1 A 78 78 HIS N N 78 119.500 126.486 -6.986 1
1 892 . 5 1 1 A 79 79 HIS H H 79 8.690 8.827 -0.137 1
1 893 . 5 1 1 A 79 79 HIS HA H 79 4.660 4.038 0.622 1
1 896 . 5 1 1 A 79 79 HIS C C 79 173.900 175.449 -1.549 1
1 897 . 5 1 1 A 79 79 HIS CA C 79 55.200 59.116 -3.916 1
1 898 . 5 1 1 A 79 79 HIS CB C 79 29.100 29.765 -0.665 1
1 899 . 5 1 1 A 79 79 HIS N N 79 120.400 125.442 -5.042 1
1 900 . 5 1 1 A 80 80 HIS H H 80 8.590 7.652 0.938 1
1 901 . 5 1 1 A 80 80 HIS HA H 80 4.630 4.557 0.073 1
1 904 . 5 1 1 A 80 80 HIS C C 80 173.400 174.487 -1.087 1
1 905 . 5 1 1 A 80 80 HIS CA C 80 55.400 56.605 -1.205 1
1 906 . 5 1 1 A 80 80 HIS CB C 80 29.300 32.422 -3.122 1
1 907 . 5 1 1 A 80 80 HIS N N 80 120.600 115.140 5.460 1
1 7 . 6 1 1 A 2 2 GLU H H 2 8.850 9.220 -0.370 1
1 8 . 6 1 1 A 2 2 GLU HA H 2 4.450 4.870 -0.420 1
1 13 . 6 1 1 A 2 2 GLU C C 2 175.400 176.016 -0.616 1
1 14 . 6 1 1 A 2 2 GLU CA C 2 55.900 54.722 1.178 1
1 15 . 6 1 1 A 2 2 GLU CB C 2 30.300 32.385 -2.085 1
1 17 . 6 1 1 A 2 2 GLU N N 2 123.600 123.795 -0.195 1
1 18 . 6 1 1 A 3 3 ILE H H 3 8.590 8.515 0.075 1
1 19 . 6 1 1 A 3 3 ILE HA H 3 4.310 4.173 0.137 1
1 29 . 6 1 1 A 3 3 ILE C C 3 175.100 175.633 -0.533 1
1 30 . 6 1 1 A 3 3 ILE CA C 3 60.700 61.816 -1.116 1
1 31 . 6 1 1 A 3 3 ILE CB C 3 39.500 36.974 2.526 1
1 35 . 6 1 1 A 3 3 ILE N N 3 122.100 124.160 -2.060 1
1 36 . 6 1 1 A 4 4 THR H H 4 8.130 8.847 -0.717 1
1 37 . 6 1 1 A 4 4 THR HA H 4 4.540 5.729 -1.189 1
1 42 . 6 1 1 A 4 4 THR C C 4 173.000 173.345 -0.345 1
1 43 . 6 1 1 A 4 4 THR CA C 4 59.700 59.982 -0.282 1
1 44 . 6 1 1 A 4 4 THR CB C 4 71.400 71.548 -0.148 1
1 46 . 6 1 1 A 4 4 THR N N 4 116.800 118.773 -1.973 1
1 47 . 6 1 1 A 5 5 CYS H H 5 8.700 8.095 0.605 1
1 48 . 6 1 1 A 5 5 CYS HA H 5 3.960 4.411 -0.451 1
1 51 . 6 1 1 A 5 5 CYS CA C 5 56.800 57.471 -0.671 1
1 52 . 6 1 1 A 5 5 CYS CB C 5 32.000 28.226 3.774 1
1 53 . 6 1 1 A 5 5 CYS N N 5 125.600 123.343 2.257 1
1 54 . 6 1 1 A 6 6 PRO HA H 6 4.260 4.220 0.040 1
1 61 . 6 1 1 A 6 6 PRO C C 6 176.000 177.326 -1.326 1
1 62 . 6 1 1 A 6 6 PRO CA C 6 63.900 64.528 -0.628 1
1 63 . 6 1 1 A 6 6 PRO CB C 6 32.100 31.890 0.210 1
1 66 . 6 1 1 A 7 7 VAL H H 7 9.210 7.856 1.354 1
1 67 . 6 1 1 A 7 7 VAL HA H 7 3.820 4.154 -0.334 1
1 75 . 6 1 1 A 7 7 VAL CA C 7 64.900 62.594 2.306 1
1 76 . 6 1 1 A 7 7 VAL CB C 7 32.200 32.423 -0.223 1
1 79 . 6 1 1 A 7 7 VAL N N 7 122.500 115.350 7.150 1
1 80 . 6 1 1 A 8 8 CYS HA H 8 4.560 4.580 -0.020 1
1 83 . 6 1 1 A 8 8 CYS C C 8 176.800 174.841 1.959 1
1 84 . 6 1 1 A 8 8 CYS CA C 8 58.900 59.792 -0.892 1
1 85 . 6 1 1 A 8 8 CYS CB C 8 32.000 29.720 2.280 1
1 86 . 6 1 1 A 9 9 HIS H H 9 7.550 8.272 -0.722 1
1 87 . 6 1 1 A 9 9 HIS HA H 9 4.470 4.176 0.294 1
1 91 . 6 1 1 A 9 9 HIS CA C 9 56.900 57.272 -0.372 1
1 92 . 6 1 1 A 9 9 HIS CB C 9 25.900 26.808 -0.908 1
1 94 . 6 1 1 A 9 9 HIS N N 9 115.000 116.019 -1.019 1
1 95 . 6 1 1 A 10 10 HIS HA H 10 4.790 4.750 0.040 1
1 100 . 6 1 1 A 10 10 HIS C C 10 174.700 174.890 -0.190 1
1 101 . 6 1 1 A 10 10 HIS CA C 10 55.700 54.893 0.807 1
1 102 . 6 1 1 A 10 10 HIS CB C 10 29.800 31.736 -1.936 1
1 105 . 6 1 1 A 11 11 ALA H H 11 8.790 8.596 0.194 1
1 106 . 6 1 1 A 11 11 ALA HA H 11 4.310 4.681 -0.371 1
1 110 . 6 1 1 A 11 11 ALA C C 11 177.800 177.487 0.313 1
1 111 . 6 1 1 A 11 11 ALA CA C 11 53.400 52.369 1.031 1
1 112 . 6 1 1 A 11 11 ALA CB C 11 18.600 19.258 -0.658 1
1 113 . 6 1 1 A 11 11 ALA N N 11 124.500 125.428 -0.928 1
1 114 . 6 1 1 A 12 12 LEU H H 12 8.480 8.883 -0.403 1
1 115 . 6 1 1 A 12 12 LEU HA H 12 4.640 4.491 0.149 1
1 125 . 6 1 1 A 12 12 LEU C C 12 176.900 177.146 -0.246 1
1 126 . 6 1 1 A 12 12 LEU CA C 12 53.500 54.289 -0.789 1
1 127 . 6 1 1 A 12 12 LEU CB C 12 44.100 42.644 1.456 1
1 131 . 6 1 1 A 12 12 LEU N N 12 121.200 123.024 -1.824 1
1 132 . 6 1 1 A 13 13 GLU H H 13 8.600 8.505 0.095 1
1 133 . 6 1 1 A 13 13 GLU HA H 13 4.590 4.515 0.075 1
1 138 . 6 1 1 A 13 13 GLU C C 13 175.700 175.666 0.034 1
1 139 . 6 1 1 A 13 13 GLU CA C 13 54.700 56.708 -2.008 1
1 140 . 6 1 1 A 13 13 GLU CB C 13 30.200 30.273 -0.073 1
1 142 . 6 1 1 A 13 13 GLU N N 13 120.300 123.125 -2.825 1
1 143 . 6 1 1 A 14 14 ARG H H 14 9.010 8.563 0.447 1
1 144 . 6 1 1 A 14 14 ARG HA H 14 4.460 5.087 -0.627 1
1 151 . 6 1 1 A 14 14 ARG C C 14 174.900 175.796 -0.896 1
1 152 . 6 1 1 A 14 14 ARG CA C 14 56.400 55.202 1.198 1
1 153 . 6 1 1 A 14 14 ARG CB C 14 31.800 30.924 0.876 1
1 156 . 6 1 1 A 14 14 ARG N N 14 126.500 125.380 1.120 1
1 157 . 6 1 1 A 15 15 ASN H H 15 8.670 8.928 -0.258 1
1 158 . 6 1 1 A 15 15 ASN HA H 15 4.850 4.689 0.161 1
1 161 . 6 1 1 A 15 15 ASN C C 15 174.900 176.382 -1.482 1
1 162 . 6 1 1 A 15 15 ASN CA C 15 52.100 54.984 -2.884 1
1 163 . 6 1 1 A 15 15 ASN CB C 15 39.200 38.861 0.339 1
1 164 . 6 1 1 A 15 15 ASN N N 15 125.100 125.764 -0.664 1
1 165 . 6 1 1 A 16 16 GLY H H 16 8.880 8.045 0.835 1
1 166 . 6 1 1 A 16 16 GLY HA2 H 16 3.570 3.893 -0.323 1
1 167 . 6 1 1 A 16 16 GLY HA3 H 16 4.000 3.901 0.099 1
1 168 . 6 1 1 A 16 16 GLY C C 16 173.700 174.113 -0.413 1
1 169 . 6 1 1 A 16 16 GLY CA C 16 47.200 46.463 0.737 1
1 170 . 6 1 1 A 16 16 GLY N N 16 114.400 106.674 7.726 1
1 171 . 6 1 1 A 17 17 ASP H H 17 8.600 8.141 0.459 1
1 172 . 6 1 1 A 17 17 ASP HA H 17 4.600 4.042 0.558 1
1 175 . 6 1 1 A 17 17 ASP C C 17 174.800 174.881 -0.081 1
1 176 . 6 1 1 A 17 17 ASP CA C 17 53.800 55.453 -1.653 1
1 177 . 6 1 1 A 17 17 ASP CB C 17 40.200 40.796 -0.596 1
1 178 . 6 1 1 A 17 17 ASP N N 17 126.400 117.094 9.306 1
1 179 . 6 1 1 A 18 18 THR H H 18 7.710 7.716 -0.006 1
1 180 . 6 1 1 A 18 18 THR HA H 18 5.120 4.718 0.402 1
1 185 . 6 1 1 A 18 18 THR C C 18 171.900 173.178 -1.278 1
1 186 . 6 1 1 A 18 18 THR CA C 18 60.400 61.702 -1.302 1
1 187 . 6 1 1 A 18 18 THR CB C 18 72.300 70.677 1.623 1
1 189 . 6 1 1 A 18 18 THR N N 18 112.300 114.081 -1.781 1
1 190 . 6 1 1 A 19 19 ALA H H 19 9.090 8.951 0.139 1
1 191 . 6 1 1 A 19 19 ALA HA H 19 5.250 5.324 -0.074 1
1 195 . 6 1 1 A 19 19 ALA C C 19 175.000 176.049 -1.049 1
1 196 . 6 1 1 A 19 19 ALA CA C 19 50.300 50.264 0.036 1
1 197 . 6 1 1 A 19 19 ALA CB C 19 23.900 20.317 3.583 1
1 198 . 6 1 1 A 19 19 ALA N N 19 123.300 128.087 -4.787 1
1 199 . 6 1 1 A 20 20 HIS H H 20 9.130 9.533 -0.403 1
1 200 . 6 1 1 A 20 20 HIS HA H 20 5.550 4.818 0.732 1
1 205 . 6 1 1 A 20 20 HIS C C 20 173.100 174.199 -1.099 1
1 206 . 6 1 1 A 20 20 HIS CA C 20 54.700 55.729 -1.029 1
1 207 . 6 1 1 A 20 20 HIS CB C 20 31.900 30.793 1.107 1
1 210 . 6 1 1 A 20 20 HIS N N 20 120.000 125.581 -5.581 1
1 211 . 6 1 1 A 21 21 CYS H H 21 8.910 8.491 0.419 1
1 212 . 6 1 1 A 21 21 CYS HA H 21 4.700 4.498 0.202 1
1 215 . 6 1 1 A 21 21 CYS C C 21 176.400 175.612 0.788 1
1 216 . 6 1 1 A 21 21 CYS CA C 21 57.900 58.543 -0.643 1
1 217 . 6 1 1 A 21 21 CYS CB C 21 31.700 29.012 2.688 1
1 218 . 6 1 1 A 21 21 CYS N N 21 129.200 127.571 1.629 1
1 219 . 6 1 1 A 22 22 GLU H H 22 9.030 8.764 0.266 1
1 220 . 6 1 1 A 22 22 GLU HA H 22 4.130 4.155 -0.025 1
1 225 . 6 1 1 A 22 22 GLU C C 22 177.400 177.629 -0.229 1
1 226 . 6 1 1 A 22 22 GLU CA C 22 58.200 59.327 -1.127 1
1 227 . 6 1 1 A 22 22 GLU CB C 22 29.500 29.075 0.425 1
1 229 . 6 1 1 A 22 22 GLU N N 22 128.800 126.571 2.229 1
1 230 . 6 1 1 A 23 23 THR H H 23 8.360 7.090 1.270 1
1 231 . 6 1 1 A 23 23 THR HA H 23 3.920 4.478 -0.558 1
1 236 . 6 1 1 A 23 23 THR C C 23 176.500 176.281 0.219 1
1 237 . 6 1 1 A 23 23 THR CA C 23 66.800 62.726 4.074 1
1 238 . 6 1 1 A 23 23 THR CB C 23 69.100 69.820 -0.720 1
1 240 . 6 1 1 A 23 23 THR N N 23 119.800 110.941 8.859 1
1 241 . 6 1 1 A 24 24 CYS H H 24 9.570 7.644 1.926 1
1 242 . 6 1 1 A 24 24 CYS HA H 24 3.880 4.456 -0.576 1
1 245 . 6 1 1 A 24 24 CYS C C 24 174.900 173.978 0.922 1
1 246 . 6 1 1 A 24 24 CYS CA C 24 62.000 58.917 3.083 1
1 247 . 6 1 1 A 24 24 CYS CB C 24 30.300 27.698 2.602 1
1 248 . 6 1 1 A 24 24 CYS N N 24 123.600 119.223 4.377 1
1 249 . 6 1 1 A 25 25 ALA H H 25 7.720 7.880 -0.160 1
1 250 . 6 1 1 A 25 25 ALA HA H 25 3.820 3.786 0.034 1
1 254 . 6 1 1 A 25 25 ALA C C 25 175.400 175.464 -0.064 1
1 255 . 6 1 1 A 25 25 ALA CA C 25 52.500 53.110 -0.610 1
1 256 . 6 1 1 A 25 25 ALA CB C 25 16.000 17.198 -1.198 1
1 257 . 6 1 1 A 25 25 ALA N N 25 121.400 122.356 -0.956 1
1 258 . 6 1 1 A 26 26 LYS H H 26 6.910 7.409 -0.499 1
1 259 . 6 1 1 A 26 26 LYS HA H 26 4.450 4.730 -0.280 1
1 268 . 6 1 1 A 26 26 LYS CA C 26 54.600 54.386 0.214 1
1 269 . 6 1 1 A 26 26 LYS CB C 26 37.900 34.856 3.044 1
1 273 . 6 1 1 A 26 26 LYS N N 26 116.100 116.397 -0.297 1
1 274 . 6 1 1 A 27 27 ASP HA H 27 5.610 5.831 -0.221 1
1 277 . 6 1 1 A 27 27 ASP C C 27 174.400 174.959 -0.559 1
1 278 . 6 1 1 A 27 27 ASP CA C 27 53.000 52.670 0.330 1
1 279 . 6 1 1 A 27 27 ASP CB C 27 44.200 43.012 1.188 1
1 280 . 6 1 1 A 28 28 PHE H H 28 9.200 9.526 -0.326 1
1 281 . 6 1 1 A 28 28 PHE HA H 28 4.890 5.175 -0.285 1
1 289 . 6 1 1 A 28 28 PHE C C 28 175.500 175.055 0.445 1
1 290 . 6 1 1 A 28 28 PHE CA C 28 56.800 57.078 -0.278 1
1 291 . 6 1 1 A 28 28 PHE CB C 28 42.900 41.113 1.787 1
1 297 . 6 1 1 A 28 28 PHE N N 28 118.100 121.766 -3.666 1
1 298 . 6 1 1 A 29 29 SER H H 29 9.070 8.869 0.201 1
1 299 . 6 1 1 A 29 29 SER HA H 29 4.750 4.909 -0.159 1
1 302 . 6 1 1 A 29 29 SER C C 29 173.400 174.256 -0.856 1
1 303 . 6 1 1 A 29 29 SER CA C 29 58.400 57.178 1.222 1
1 304 . 6 1 1 A 29 29 SER CB C 29 64.100 64.052 0.048 1
1 305 . 6 1 1 A 29 29 SER N N 29 118.400 119.222 -0.822 1
1 306 . 6 1 1 A 30 30 LEU H H 30 8.180 9.163 -0.983 1
1 307 . 6 1 1 A 30 30 LEU HA H 30 5.200 5.128 0.072 1
1 317 . 6 1 1 A 30 30 LEU CA C 30 53.100 53.500 -0.400 1
1 318 . 6 1 1 A 30 30 LEU CB C 30 44.800 44.731 0.069 1
1 322 . 6 1 1 A 30 30 LEU N N 30 122.200 128.630 -6.430 1
1 323 . 6 1 1 A 31 31 GLN HA H 31 4.680 5.006 -0.326 1
1 328 . 6 1 1 A 31 31 GLN C C 31 173.600 174.999 -1.399 1
1 329 . 6 1 1 A 31 31 GLN CA C 31 54.200 54.002 0.198 1
1 330 . 6 1 1 A 31 31 GLN CB C 31 31.800 32.076 -0.276 1
1 332 . 6 1 1 A 32 32 ALA H H 32 8.560 8.571 -0.011 1
1 333 . 6 1 1 A 32 32 ALA HA H 32 3.990 4.329 -0.339 1
1 337 . 6 1 1 A 32 32 ALA C C 32 175.600 176.820 -1.220 1
1 338 . 6 1 1 A 32 32 ALA CA C 32 50.900 52.142 -1.242 1
1 339 . 6 1 1 A 32 32 ALA CB C 32 20.300 19.404 0.896 1
1 340 . 6 1 1 A 32 32 ALA N N 32 128.100 128.998 -0.898 1
1 341 . 6 1 1 A 33 33 LEU H H 33 8.740 8.476 0.264 1
1 342 . 6 1 1 A 33 33 LEU HA H 33 4.560 5.068 -0.508 1
1 352 . 6 1 1 A 33 33 LEU C C 33 175.400 174.464 0.936 1
1 353 . 6 1 1 A 33 33 LEU CA C 33 52.700 53.377 -0.677 1
1 354 . 6 1 1 A 33 33 LEU CB C 33 44.200 46.436 -2.236 1
1 358 . 6 1 1 A 33 33 LEU N N 33 124.500 124.113 0.387 1
1 359 . 6 1 1 A 34 34 CYS H H 34 8.260 8.636 -0.376 1
1 360 . 6 1 1 A 34 34 CYS HA H 34 4.270 4.840 -0.570 1
1 363 . 6 1 1 A 34 34 CYS CA C 34 56.900 57.542 -0.642 1
1 364 . 6 1 1 A 34 34 CYS CB C 34 31.400 28.775 2.625 1
1 365 . 6 1 1 A 34 34 CYS N N 34 123.600 123.960 -0.360 1
1 366 . 6 1 1 A 35 35 PRO HA H 35 4.290 4.496 -0.206 1
1 373 . 6 1 1 A 35 35 PRO C C 35 176.100 176.837 -0.737 1
1 374 . 6 1 1 A 35 35 PRO CA C 35 63.700 64.259 -0.559 1
1 375 . 6 1 1 A 35 35 PRO CB C 35 31.600 31.819 -0.219 1
1 378 . 6 1 1 A 36 36 ASP H H 36 8.980 8.486 0.494 1
1 379 . 6 1 1 A 36 36 ASP HA H 36 4.600 4.547 0.053 1
1 382 . 6 1 1 A 36 36 ASP C C 36 176.500 176.262 0.238 1
1 383 . 6 1 1 A 36 36 ASP CA C 36 56.400 54.499 1.901 1
1 384 . 6 1 1 A 36 36 ASP CB C 36 40.100 40.826 -0.726 1
1 385 . 6 1 1 A 36 36 ASP N N 36 122.200 114.841 7.359 1
1 386 . 6 1 1 A 37 37 CYS H H 37 7.840 7.453 0.387 1
1 387 . 6 1 1 A 37 37 CYS HA H 37 5.000 4.750 0.250 1
1 390 . 6 1 1 A 37 37 CYS C C 37 175.400 172.848 2.552 1
1 391 . 6 1 1 A 37 37 CYS CA C 37 58.400 58.392 0.008 1
1 392 . 6 1 1 A 37 37 CYS CB C 37 32.300 28.426 3.874 1
1 393 . 6 1 1 A 37 37 CYS N N 37 116.000 116.906 -0.906 1
1 394 . 6 1 1 A 38 38 ARG H H 38 7.880 8.700 -0.820 1
1 395 . 6 1 1 A 38 38 ARG HA H 38 4.050 4.487 -0.437 1
1 402 . 6 1 1 A 38 38 ARG C C 38 173.700 174.881 -1.181 1
1 403 . 6 1 1 A 38 38 ARG CA C 38 58.100 55.427 2.673 1
1 404 . 6 1 1 A 38 38 ARG CB C 38 27.400 28.637 -1.237 1
1 407 . 6 1 1 A 38 38 ARG N N 38 117.700 127.210 -9.510 1
1 408 . 6 1 1 A 39 39 GLN H H 39 7.720 8.255 -0.535 1
1 409 . 6 1 1 A 39 39 GLN HA H 39 4.710 4.883 -0.173 1
1 414 . 6 1 1 A 39 39 GLN CA C 39 53.900 52.686 1.214 1
1 415 . 6 1 1 A 39 39 GLN CB C 39 28.100 31.597 -3.497 1
1 417 . 6 1 1 A 39 39 GLN N N 39 117.500 121.653 -4.153 1
1 418 . 6 1 1 A 40 40 PRO HA H 40 4.570 4.340 0.230 1
1 425 . 6 1 1 A 40 40 PRO C C 40 176.600 177.186 -0.586 1
1 426 . 6 1 1 A 40 40 PRO CA C 40 63.700 63.210 0.490 1
1 427 . 6 1 1 A 40 40 PRO CB C 40 31.900 31.827 0.073 1
1 430 . 6 1 1 A 41 41 LEU H H 41 8.170 8.177 -0.007 1
1 431 . 6 1 1 A 41 41 LEU HA H 41 4.460 4.090 0.370 1
1 441 . 6 1 1 A 41 41 LEU C C 41 177.200 176.344 0.856 1
1 442 . 6 1 1 A 41 41 LEU CA C 41 54.000 53.934 0.066 1
1 443 . 6 1 1 A 41 41 LEU CB C 41 43.200 42.295 0.905 1
1 447 . 6 1 1 A 41 41 LEU N N 41 124.100 123.374 0.726 1
1 448 . 6 1 1 A 42 42 GLN H H 42 9.240 8.343 0.897 1
1 449 . 6 1 1 A 42 42 GLN HA H 42 4.490 4.489 0.001 1
1 454 . 6 1 1 A 42 42 GLN C C 42 175.000 174.823 0.177 1
1 455 . 6 1 1 A 42 42 GLN CA C 42 55.300 55.334 -0.034 1
1 456 . 6 1 1 A 42 42 GLN CB C 42 29.600 29.434 0.166 1
1 458 . 6 1 1 A 42 42 GLN N N 42 122.100 120.779 1.321 1
1 459 . 6 1 1 A 43 43 VAL H H 43 8.600 8.561 0.039 1
1 460 . 6 1 1 A 43 43 VAL HA H 43 4.260 4.108 0.152 1
1 468 . 6 1 1 A 43 43 VAL C C 43 175.500 175.410 0.090 1
1 469 . 6 1 1 A 43 43 VAL CA C 43 62.100 62.861 -0.761 1
1 470 . 6 1 1 A 43 43 VAL CB C 43 32.000 31.114 0.886 1
1 473 . 6 1 1 A 43 43 VAL N N 43 126.400 127.511 -1.111 1
1 474 . 6 1 1 A 44 44 LEU H H 44 8.940 9.396 -0.456 1
1 475 . 6 1 1 A 44 44 LEU HA H 44 4.510 4.773 -0.263 1
1 485 . 6 1 1 A 44 44 LEU C C 44 175.500 175.021 0.479 1
1 486 . 6 1 1 A 44 44 LEU CA C 44 53.400 53.988 -0.588 1
1 487 . 6 1 1 A 44 44 LEU CB C 44 42.800 41.688 1.112 1
1 491 . 6 1 1 A 44 44 LEU N N 44 130.200 129.210 0.990 1
1 492 . 6 1 1 A 45 45 LYS H H 45 8.520 8.736 -0.216 1
1 493 . 6 1 1 A 45 45 LYS HA H 45 4.830 4.635 0.195 1
1 502 . 6 1 1 A 45 45 LYS C C 45 175.600 175.421 0.179 1
1 503 . 6 1 1 A 45 45 LYS CA C 45 55.700 55.554 0.146 1
1 504 . 6 1 1 A 45 45 LYS CB C 45 33.500 33.202 0.298 1
1 508 . 6 1 1 A 45 45 LYS N N 45 123.700 126.556 -2.856 1
1 509 . 6 1 1 A 46 46 ALA H H 46 8.220 8.635 -0.415 1
1 510 . 6 1 1 A 46 46 ALA HA H 46 4.540 4.311 0.229 1
1 514 . 6 1 1 A 46 46 ALA C C 46 176.900 178.377 -1.477 1
1 515 . 6 1 1 A 46 46 ALA CA C 46 51.900 53.357 -1.457 1
1 516 . 6 1 1 A 46 46 ALA CB C 46 20.700 18.576 2.124 1
1 517 . 6 1 1 A 46 46 ALA N N 46 126.400 128.816 -2.416 1
1 518 . 6 1 1 A 47 47 CYS H H 47 9.200 8.207 0.993 1
1 519 . 6 1 1 A 47 47 CYS HA H 47 4.080 4.587 -0.507 1
1 522 . 6 1 1 A 47 47 CYS C C 47 175.100 176.372 -1.272 1
1 523 . 6 1 1 A 47 47 CYS CA C 47 59.700 59.693 0.007 1
1 524 . 6 1 1 A 47 47 CYS CB C 47 25.800 29.519 -3.719 1
1 525 . 6 1 1 A 47 47 CYS N N 47 120.400 115.866 4.534 1
1 526 . 6 1 1 A 48 48 GLY H H 48 8.620 7.930 0.690 1
1 527 . 6 1 1 A 48 48 GLY HA2 H 48 3.670 3.963 -0.293 1
1 528 . 6 1 1 A 48 48 GLY HA3 H 48 4.070 3.964 0.106 1
1 529 . 6 1 1 A 48 48 GLY C C 48 173.100 173.014 0.086 1
1 530 . 6 1 1 A 48 48 GLY CA C 48 45.500 45.636 -0.136 1
1 531 . 6 1 1 A 48 48 GLY N N 48 109.000 108.339 0.661 1
1 532 . 6 1 1 A 49 49 ALA H H 49 7.820 7.631 0.189 1
1 533 . 6 1 1 A 49 49 ALA HA H 49 4.620 4.785 -0.165 1
1 537 . 6 1 1 A 49 49 ALA C C 49 176.000 174.969 1.031 1
1 538 . 6 1 1 A 49 49 ALA CA C 49 51.000 51.394 -0.394 1
1 539 . 6 1 1 A 49 49 ALA CB C 49 21.300 22.897 -1.597 1
1 540 . 6 1 1 A 49 49 ALA N N 49 124.000 120.535 3.465 1
1 541 . 6 1 1 A 50 50 VAL H H 50 8.100 8.754 -0.654 1
1 542 . 6 1 1 A 50 50 VAL HA H 50 4.560 5.067 -0.507 1
1 550 . 6 1 1 A 50 50 VAL C C 50 174.300 172.889 1.411 1
1 551 . 6 1 1 A 50 50 VAL CA C 50 61.400 59.682 1.718 1
1 552 . 6 1 1 A 50 50 VAL CB C 50 33.800 35.726 -1.926 1
1 555 . 6 1 1 A 50 50 VAL N N 50 119.600 118.311 1.289 1
1 556 . 6 1 1 A 51 51 ASP H H 51 8.640 9.039 -0.399 1
1 557 . 6 1 1 A 51 51 ASP HA H 51 5.030 5.411 -0.381 1
1 560 . 6 1 1 A 51 51 ASP C C 51 173.000 173.694 -0.694 1
1 561 . 6 1 1 A 51 51 ASP CA C 51 52.000 52.562 -0.562 1
1 562 . 6 1 1 A 51 51 ASP CB C 51 43.900 45.450 -1.550 1
1 563 . 6 1 1 A 51 51 ASP N N 51 124.900 126.772 -1.872 1
1 564 . 6 1 1 A 52 52 TYR H H 52 8.950 8.656 0.294 1
1 565 . 6 1 1 A 52 52 TYR HA H 52 5.150 5.352 -0.202 1
1 572 . 6 1 1 A 52 52 TYR C C 52 174.500 174.734 -0.234 1
1 573 . 6 1 1 A 52 52 TYR CA C 52 57.300 56.494 0.806 1
1 574 . 6 1 1 A 52 52 TYR CB C 52 41.200 40.309 0.891 1
1 579 . 6 1 1 A 52 52 TYR N N 52 118.500 121.060 -2.560 1
1 580 . 6 1 1 A 53 53 PHE H H 53 9.250 8.681 0.569 1
1 581 . 6 1 1 A 53 53 PHE HA H 53 5.040 4.982 0.058 1
1 588 . 6 1 1 A 53 53 PHE C C 53 173.200 174.060 -0.860 1
1 589 . 6 1 1 A 53 53 PHE CA C 53 56.400 57.660 -1.260 1
1 590 . 6 1 1 A 53 53 PHE CB C 53 44.300 42.709 1.591 1
1 595 . 6 1 1 A 53 53 PHE N N 53 123.100 123.837 -0.737 1
1 596 . 6 1 1 A 54 54 CYS H H 54 9.160 8.333 0.827 1
1 597 . 6 1 1 A 54 54 CYS HA H 54 4.690 4.474 0.216 1
1 600 . 6 1 1 A 54 54 CYS C C 54 175.700 174.205 1.495 1
1 601 . 6 1 1 A 54 54 CYS CA C 54 58.200 57.948 0.252 1
1 602 . 6 1 1 A 54 54 CYS CB C 54 29.600 27.457 2.143 1
1 603 . 6 1 1 A 54 54 CYS N N 54 130.800 124.370 6.430 1
1 604 . 6 1 1 A 55 55 GLN H H 55 9.260 8.972 0.288 1
1 605 . 6 1 1 A 55 55 GLN HA H 55 4.300 4.475 -0.175 1
1 610 . 6 1 1 A 55 55 GLN C C 55 174.400 176.269 -1.869 1
1 611 . 6 1 1 A 55 55 GLN CA C 55 56.900 57.821 -0.921 1
1 612 . 6 1 1 A 55 55 GLN CB C 55 28.900 29.999 -1.099 1
1 614 . 6 1 1 A 55 55 GLN N N 55 129.000 126.198 2.802 1
1 615 . 6 1 1 A 56 56 ASN H H 56 9.100 8.012 1.088 1
1 616 . 6 1 1 A 56 56 ASN HA H 56 4.860 4.972 -0.112 1
1 619 . 6 1 1 A 56 56 ASN C C 56 174.100 174.910 -0.810 1
1 620 . 6 1 1 A 56 56 ASN CA C 56 52.100 52.497 -0.397 1
1 621 . 6 1 1 A 56 56 ASN CB C 56 39.500 41.995 -2.495 1
1 622 . 6 1 1 A 56 56 ASN N N 56 122.300 115.629 6.671 1
1 623 . 6 1 1 A 57 57 GLY H H 57 7.180 8.774 -1.594 1
1 624 . 6 1 1 A 57 57 GLY HA2 H 57 3.450 3.961 -0.511 1
1 625 . 6 1 1 A 57 57 GLY HA3 H 57 4.000 3.970 0.030 1
1 626 . 6 1 1 A 57 57 GLY C C 57 175.800 173.698 2.102 1
1 627 . 6 1 1 A 57 57 GLY CA C 57 45.100 46.334 -1.234 1
1 628 . 6 1 1 A 57 57 GLY N N 57 104.200 112.213 -8.013 1
1 629 . 6 1 1 A 58 58 HIS H H 58 7.380 7.817 -0.437 1
1 630 . 6 1 1 A 58 58 HIS HA H 58 4.620 4.789 -0.169 1
1 633 . 6 1 1 A 58 58 HIS C C 58 174.100 174.511 -0.411 1
1 634 . 6 1 1 A 58 58 HIS CA C 58 59.600 56.873 2.727 1
1 635 . 6 1 1 A 58 58 HIS CB C 58 30.100 31.553 -1.453 1
1 636 . 6 1 1 A 58 58 HIS N N 58 116.000 116.652 -0.652 1
1 637 . 6 1 1 A 59 59 GLY H H 59 7.610 7.359 0.251 1
1 638 . 6 1 1 A 59 59 GLY HA2 H 59 2.930 3.938 -1.008 1
1 639 . 6 1 1 A 59 59 GLY HA3 H 59 3.700 3.965 -0.265 1
1 640 . 6 1 1 A 59 59 GLY C C 59 173.100 172.933 0.167 1
1 641 . 6 1 1 A 59 59 GLY CA C 59 45.500 45.128 0.372 1
1 642 . 6 1 1 A 59 59 GLY N N 59 108.000 105.795 2.205 1
1 643 . 6 1 1 A 60 60 LEU H H 60 8.450 8.389 0.061 1
1 644 . 6 1 1 A 60 60 LEU HA H 60 4.620 3.913 0.707 1
1 654 . 6 1 1 A 60 60 LEU C C 60 176.800 176.166 0.634 1
1 655 . 6 1 1 A 60 60 LEU CA C 60 55.700 54.546 1.154 1
1 656 . 6 1 1 A 60 60 LEU CB C 60 42.200 42.918 -0.718 1
1 660 . 6 1 1 A 60 60 LEU N N 60 124.300 123.545 0.755 1
1 661 . 6 1 1 A 61 61 ILE H H 61 8.740 8.129 0.611 1
1 662 . 6 1 1 A 61 61 ILE HA H 61 4.200 4.750 -0.550 1
1 672 . 6 1 1 A 61 61 ILE C C 61 175.500 175.358 0.142 1
1 673 . 6 1 1 A 61 61 ILE CA C 61 57.000 59.876 -2.876 1
1 674 . 6 1 1 A 61 61 ILE CB C 61 37.400 41.416 -4.016 1
1 678 . 6 1 1 A 61 61 ILE N N 61 128.500 121.329 7.171 1
1 679 . 6 1 1 A 62 62 SER H H 62 8.490 8.736 -0.246 1
1 680 . 6 1 1 A 62 62 SER HA H 62 4.380 4.519 -0.139 1
1 683 . 6 1 1 A 62 62 SER C C 62 176.500 176.014 0.486 1
1 684 . 6 1 1 A 62 62 SER CA C 62 58.300 59.797 -1.497 1
1 685 . 6 1 1 A 62 62 SER CB C 62 63.500 62.834 0.666 1
1 686 . 6 1 1 A 62 62 SER N N 62 121.700 120.725 0.975 1
1 687 . 6 1 1 A 63 63 LYS H H 63 9.040 8.588 0.452 1
1 688 . 6 1 1 A 63 63 LYS HA H 63 3.910 4.250 -0.340 1
1 697 . 6 1 1 A 63 63 LYS C C 63 178.200 177.564 0.636 1
1 698 . 6 1 1 A 63 63 LYS CA C 63 60.300 58.515 1.785 1
1 699 . 6 1 1 A 63 63 LYS CB C 63 32.000 31.646 0.354 1
1 703 . 6 1 1 A 63 63 LYS N N 63 126.000 124.678 1.322 1
1 704 . 6 1 1 A 64 64 LYS H H 64 8.090 7.923 0.167 1
1 705 . 6 1 1 A 64 64 LYS HA H 64 4.190 4.240 -0.050 1
1 714 . 6 1 1 A 64 64 LYS C C 64 177.000 176.907 0.093 1
1 715 . 6 1 1 A 64 64 LYS CA C 64 58.000 58.839 -0.839 1
1 716 . 6 1 1 A 64 64 LYS CB C 64 32.300 32.858 -0.558 1
1 720 . 6 1 1 A 64 64 LYS N N 64 115.400 117.954 -2.554 1
1 721 . 6 1 1 A 65 65 ARG H H 65 7.960 8.116 -0.156 1
1 722 . 6 1 1 A 65 65 ARG HA H 65 4.280 4.568 -0.288 1
1 729 . 6 1 1 A 65 65 ARG C C 65 176.000 176.079 -0.079 1
1 730 . 6 1 1 A 65 65 ARG CA C 65 55.900 55.358 0.542 1
1 731 . 6 1 1 A 65 65 ARG CB C 65 32.000 30.751 1.249 1
1 734 . 6 1 1 A 65 65 ARG N N 65 116.600 118.705 -2.105 1
1 735 . 6 1 1 A 66 66 VAL H H 66 6.810 7.156 -0.346 1
1 736 . 6 1 1 A 66 66 VAL HA H 66 2.800 3.806 -1.006 1
1 744 . 6 1 1 A 66 66 VAL C C 66 174.500 175.398 -0.898 1
1 745 . 6 1 1 A 66 66 VAL CA C 66 65.000 62.729 2.271 1
1 746 . 6 1 1 A 66 66 VAL CB C 66 32.000 31.698 0.302 1
1 749 . 6 1 1 A 66 66 VAL N N 66 119.600 120.070 -0.470 1
1 750 . 6 1 1 A 67 67 ASN H H 67 7.270 8.535 -1.265 1
1 751 . 6 1 1 A 67 67 ASN HA H 67 4.840 4.714 0.126 1
1 756 . 6 1 1 A 67 67 ASN C C 67 173.200 173.730 -0.530 1
1 757 . 6 1 1 A 67 67 ASN CA C 67 51.200 52.056 -0.856 1
1 758 . 6 1 1 A 67 67 ASN CB C 67 39.100 37.568 1.532 1
1 759 . 6 1 1 A 67 67 ASN N N 67 123.500 125.764 -2.264 1
1 761 . 6 1 1 A 68 68 PHE H H 68 8.180 8.660 -0.480 1
1 762 . 6 1 1 A 68 68 PHE HA H 68 5.170 4.977 0.193 1
1 770 . 6 1 1 A 68 68 PHE C C 68 175.300 175.525 -0.225 1
1 771 . 6 1 1 A 68 68 PHE CA C 68 58.000 57.922 0.078 1
1 772 . 6 1 1 A 68 68 PHE CB C 68 41.100 38.560 2.540 1
1 778 . 6 1 1 A 68 68 PHE N N 68 123.300 125.556 -2.256 1
1 779 . 6 1 1 A 69 69 VAL H H 69 8.660 8.705 -0.045 1
1 780 . 6 1 1 A 69 69 VAL HA H 69 4.520 4.913 -0.393 1
1 788 . 6 1 1 A 69 69 VAL C C 69 175.100 175.819 -0.719 1
1 789 . 6 1 1 A 69 69 VAL CA C 69 59.200 59.853 -0.653 1
1 790 . 6 1 1 A 69 69 VAL CB C 69 35.100 34.219 0.881 1
1 793 . 6 1 1 A 69 69 VAL N N 69 116.500 118.773 -2.273 1
1 794 . 6 1 1 A 70 70 ILE H H 70 8.480 8.484 -0.004 1
1 795 . 6 1 1 A 70 70 ILE HA H 70 4.350 4.000 0.350 1
1 805 . 6 1 1 A 70 70 ILE C C 70 176.400 176.050 0.350 1
1 806 . 6 1 1 A 70 70 ILE CA C 70 61.300 62.584 -1.284 1
1 807 . 6 1 1 A 70 70 ILE CB C 70 38.200 37.601 0.599 1
1 811 . 6 1 1 A 70 70 ILE N N 70 123.100 124.345 -1.245 1
1 812 . 6 1 1 A 71 71 SER H H 71 8.770 8.567 0.203 1
1 813 . 6 1 1 A 71 71 SER HA H 71 4.550 4.670 -0.120 1
1 816 . 6 1 1 A 71 71 SER C C 71 174.200 173.665 0.535 1
1 817 . 6 1 1 A 71 71 SER CA C 71 57.700 57.724 -0.024 1
1 818 . 6 1 1 A 71 71 SER CB C 71 64.100 63.133 0.967 1
1 819 . 6 1 1 A 71 71 SER N N 71 122.200 122.786 -0.586 1
1 820 . 6 1 1 A 72 72 ASP H H 72 8.470 8.398 0.072 1
1 821 . 6 1 1 A 72 72 ASP HA H 72 4.720 4.812 -0.092 1
1 824 . 6 1 1 A 72 72 ASP C C 72 176.100 175.940 0.160 1
1 825 . 6 1 1 A 72 72 ASP CA C 72 54.200 54.219 -0.019 1
1 826 . 6 1 1 A 72 72 ASP CB C 72 41.200 41.769 -0.569 1
1 827 . 6 1 1 A 72 72 ASP N N 72 122.700 128.406 -5.706 1
1 828 . 6 1 1 A 73 73 GLN H H 73 8.490 9.062 -0.572 1
1 829 . 6 1 1 A 73 73 GLN HA H 73 4.310 4.512 -0.202 1
1 834 . 6 1 1 A 73 73 GLN C C 73 176.000 175.722 0.278 1
1 835 . 6 1 1 A 73 73 GLN CA C 73 56.100 56.222 -0.122 1
1 836 . 6 1 1 A 73 73 GLN CB C 73 29.200 29.045 0.155 1
1 838 . 6 1 1 A 73 73 GLN N N 73 120.300 120.475 -0.175 1
1 839 . 6 1 1 A 74 74 LEU H H 74 8.250 7.743 0.507 1
1 840 . 6 1 1 A 74 74 LEU HA H 74 4.250 4.629 -0.379 1
1 850 . 6 1 1 A 74 74 LEU C C 74 177.100 176.486 0.614 1
1 851 . 6 1 1 A 74 74 LEU CA C 74 55.200 54.071 1.129 1
1 852 . 6 1 1 A 74 74 LEU CB C 74 42.100 39.889 2.211 1
1 856 . 6 1 1 A 74 74 LEU N N 74 123.000 122.175 0.825 1
1 857 . 6 1 1 A 75 75 GLU H H 75 8.260 8.278 -0.018 1
1 858 . 6 1 1 A 75 75 GLU HA H 75 4.170 4.262 -0.092 1
1 863 . 6 1 1 A 75 75 GLU C C 75 176.200 177.447 -1.247 1
1 864 . 6 1 1 A 75 75 GLU CA C 75 56.300 58.887 -2.587 1
1 865 . 6 1 1 A 75 75 GLU CB C 75 29.800 30.516 -0.716 1
1 867 . 6 1 1 A 75 75 GLU N N 75 120.700 124.394 -3.694 1
1 868 . 6 1 1 A 76 76 HIS H H 76 8.480 7.813 0.667 1
1 869 . 6 1 1 A 76 76 HIS HA H 76 4.610 4.640 -0.030 1
1 872 . 6 1 1 A 76 76 HIS C C 76 174.200 175.581 -1.381 1
1 873 . 6 1 1 A 76 76 HIS CA C 76 55.100 55.878 -0.778 1
1 874 . 6 1 1 A 76 76 HIS CB C 76 28.700 29.204 -0.504 1
1 875 . 6 1 1 A 76 76 HIS N N 76 119.100 116.815 2.285 1
1 876 . 6 1 1 A 77 77 HIS H H 77 8.540 8.865 -0.325 1
1 877 . 6 1 1 A 77 77 HIS HA H 77 4.620 4.401 0.219 1
1 880 . 6 1 1 A 77 77 HIS C C 77 174.100 174.573 -0.473 1
1 881 . 6 1 1 A 77 77 HIS CA C 77 55.300 57.562 -2.262 1
1 882 . 6 1 1 A 77 77 HIS CB C 77 28.900 30.687 -1.787 1
1 883 . 6 1 1 A 77 77 HIS N N 77 118.700 124.692 -5.992 1
1 884 . 6 1 1 A 78 78 HIS H H 78 8.630 7.881 0.749 1
1 885 . 6 1 1 A 78 78 HIS HA H 78 4.660 4.815 -0.155 1
1 888 . 6 1 1 A 78 78 HIS C C 78 174.100 173.974 0.126 1
1 889 . 6 1 1 A 78 78 HIS CA C 78 55.200 54.474 0.726 1
1 890 . 6 1 1 A 78 78 HIS CB C 78 29.100 32.611 -3.511 1
1 891 . 6 1 1 A 78 78 HIS N N 78 119.500 118.809 0.691 1
1 892 . 6 1 1 A 79 79 HIS H H 79 8.690 8.824 -0.134 1
1 893 . 6 1 1 A 79 79 HIS HA H 79 4.660 4.572 0.088 1
1 896 . 6 1 1 A 79 79 HIS C C 79 173.900 175.130 -1.230 1
1 897 . 6 1 1 A 79 79 HIS CA C 79 55.200 57.261 -2.061 1
1 898 . 6 1 1 A 79 79 HIS CB C 79 29.100 30.779 -1.679 1
1 899 . 6 1 1 A 79 79 HIS N N 79 120.400 124.524 -4.124 1
1 900 . 6 1 1 A 80 80 HIS H H 80 8.590 7.554 1.036 1
1 901 . 6 1 1 A 80 80 HIS HA H 80 4.630 4.676 -0.046 1
1 904 . 6 1 1 A 80 80 HIS C C 80 173.400 172.397 1.003 1
1 905 . 6 1 1 A 80 80 HIS CA C 80 55.400 55.827 -0.427 1
1 906 . 6 1 1 A 80 80 HIS CB C 80 29.300 32.977 -3.677 1
1 907 . 6 1 1 A 80 80 HIS N N 80 120.600 114.159 6.441 1
1 7 . 7 1 1 A 2 2 GLU H H 2 8.850 8.552 0.298 1
1 8 . 7 1 1 A 2 2 GLU HA H 2 4.450 4.619 -0.169 1
1 13 . 7 1 1 A 2 2 GLU C C 2 175.400 176.549 -1.149 1
1 14 . 7 1 1 A 2 2 GLU CA C 2 55.900 55.412 0.488 1
1 15 . 7 1 1 A 2 2 GLU CB C 2 30.300 31.082 -0.782 1
1 17 . 7 1 1 A 2 2 GLU N N 2 123.600 121.035 2.565 1
1 18 . 7 1 1 A 3 3 ILE H H 3 8.590 8.340 0.250 1
1 19 . 7 1 1 A 3 3 ILE HA H 3 4.310 4.230 0.080 1
1 29 . 7 1 1 A 3 3 ILE C C 3 175.100 175.736 -0.636 1
1 30 . 7 1 1 A 3 3 ILE CA C 3 60.700 61.808 -1.108 1
1 31 . 7 1 1 A 3 3 ILE CB C 3 39.500 38.211 1.289 1
1 35 . 7 1 1 A 3 3 ILE N N 3 122.100 123.951 -1.851 1
1 36 . 7 1 1 A 4 4 THR H H 4 8.130 8.822 -0.692 1
1 37 . 7 1 1 A 4 4 THR HA H 4 4.540 5.206 -0.666 1
1 42 . 7 1 1 A 4 4 THR C C 4 173.000 173.095 -0.095 1
1 43 . 7 1 1 A 4 4 THR CA C 4 59.700 60.106 -0.406 1
1 44 . 7 1 1 A 4 4 THR CB C 4 71.400 71.673 -0.273 1
1 46 . 7 1 1 A 4 4 THR N N 4 116.800 117.760 -0.960 1
1 47 . 7 1 1 A 5 5 CYS H H 5 8.700 8.571 0.129 1
1 48 . 7 1 1 A 5 5 CYS HA H 5 3.960 4.379 -0.419 1
1 51 . 7 1 1 A 5 5 CYS CA C 5 56.800 57.301 -0.501 1
1 52 . 7 1 1 A 5 5 CYS CB C 5 32.000 27.631 4.369 1
1 53 . 7 1 1 A 5 5 CYS N N 5 125.600 123.323 2.277 1
1 54 . 7 1 1 A 6 6 PRO HA H 6 4.260 4.013 0.247 1
1 61 . 7 1 1 A 6 6 PRO C C 6 176.000 178.158 -2.158 1
1 62 . 7 1 1 A 6 6 PRO CA C 6 63.900 64.978 -1.078 1
1 63 . 7 1 1 A 6 6 PRO CB C 6 32.100 31.724 0.376 1
1 66 . 7 1 1 A 7 7 VAL H H 7 9.210 7.656 1.554 1
1 67 . 7 1 1 A 7 7 VAL HA H 7 3.820 3.821 -0.001 1
1 75 . 7 1 1 A 7 7 VAL CA C 7 64.900 63.922 0.978 1
1 76 . 7 1 1 A 7 7 VAL CB C 7 32.200 32.675 -0.475 1
1 79 . 7 1 1 A 7 7 VAL N N 7 122.500 115.139 7.361 1
1 80 . 7 1 1 A 8 8 CYS HA H 8 4.560 4.715 -0.155 1
1 83 . 7 1 1 A 8 8 CYS C C 8 176.800 173.563 3.237 1
1 84 . 7 1 1 A 8 8 CYS CA C 8 58.900 57.635 1.265 1
1 85 . 7 1 1 A 8 8 CYS CB C 8 32.000 27.599 4.401 1
1 86 . 7 1 1 A 9 9 HIS H H 9 7.550 8.737 -1.187 1
1 87 . 7 1 1 A 9 9 HIS HA H 9 4.470 4.822 -0.352 1
1 91 . 7 1 1 A 9 9 HIS CA C 9 56.900 55.058 1.842 1
1 92 . 7 1 1 A 9 9 HIS CB C 9 25.900 27.903 -2.003 1
1 94 . 7 1 1 A 9 9 HIS N N 9 115.000 124.991 -9.991 1
1 95 . 7 1 1 A 10 10 HIS HA H 10 4.790 4.678 0.112 1
1 100 . 7 1 1 A 10 10 HIS C C 10 174.700 174.645 0.055 1
1 101 . 7 1 1 A 10 10 HIS CA C 10 55.700 56.913 -1.213 1
1 102 . 7 1 1 A 10 10 HIS CB C 10 29.800 31.931 -2.131 1
1 105 . 7 1 1 A 11 11 ALA H H 11 8.790 7.610 1.180 1
1 106 . 7 1 1 A 11 11 ALA HA H 11 4.310 4.561 -0.251 1
1 110 . 7 1 1 A 11 11 ALA C C 11 177.800 175.162 2.638 1
1 111 . 7 1 1 A 11 11 ALA CA C 11 53.400 51.678 1.722 1
1 112 . 7 1 1 A 11 11 ALA CB C 11 18.600 22.479 -3.879 1
1 113 . 7 1 1 A 11 11 ALA N N 11 124.500 118.101 6.399 1
1 114 . 7 1 1 A 12 12 LEU H H 12 8.480 8.072 0.408 1
1 115 . 7 1 1 A 12 12 LEU HA H 12 4.640 5.259 -0.619 1
1 125 . 7 1 1 A 12 12 LEU C C 12 176.900 176.083 0.817 1
1 126 . 7 1 1 A 12 12 LEU CA C 12 53.500 53.330 0.170 1
1 127 . 7 1 1 A 12 12 LEU CB C 12 44.100 44.997 -0.897 1
1 131 . 7 1 1 A 12 12 LEU N N 12 121.200 120.998 0.202 1
1 132 . 7 1 1 A 13 13 GLU H H 13 8.600 9.011 -0.411 1
1 133 . 7 1 1 A 13 13 GLU HA H 13 4.590 4.622 -0.032 1
1 138 . 7 1 1 A 13 13 GLU C C 13 175.700 174.838 0.862 1
1 139 . 7 1 1 A 13 13 GLU CA C 13 54.700 55.780 -1.080 1
1 140 . 7 1 1 A 13 13 GLU CB C 13 30.200 29.311 0.889 1
1 142 . 7 1 1 A 13 13 GLU N N 13 120.300 123.738 -3.438 1
1 143 . 7 1 1 A 14 14 ARG H H 14 9.010 8.322 0.688 1
1 144 . 7 1 1 A 14 14 ARG HA H 14 4.460 4.660 -0.200 1
1 151 . 7 1 1 A 14 14 ARG C C 14 174.900 176.467 -1.567 1
1 152 . 7 1 1 A 14 14 ARG CA C 14 56.400 56.204 0.196 1
1 153 . 7 1 1 A 14 14 ARG CB C 14 31.800 30.398 1.402 1
1 156 . 7 1 1 A 14 14 ARG N N 14 126.500 126.780 -0.280 1
1 157 . 7 1 1 A 15 15 ASN H H 15 8.670 9.166 -0.496 1
1 158 . 7 1 1 A 15 15 ASN HA H 15 4.850 4.799 0.051 1
1 161 . 7 1 1 A 15 15 ASN C C 15 174.900 175.159 -0.259 1
1 162 . 7 1 1 A 15 15 ASN CA C 15 52.100 52.840 -0.740 1
1 163 . 7 1 1 A 15 15 ASN CB C 15 39.200 38.946 0.254 1
1 164 . 7 1 1 A 15 15 ASN N N 15 125.100 125.067 0.033 1
1 165 . 7 1 1 A 16 16 GLY H H 16 8.880 7.585 1.295 1
1 166 . 7 1 1 A 16 16 GLY HA2 H 16 3.570 3.915 -0.345 1
1 167 . 7 1 1 A 16 16 GLY HA3 H 16 4.000 3.974 0.026 1
1 168 . 7 1 1 A 16 16 GLY C C 16 173.700 174.142 -0.442 1
1 169 . 7 1 1 A 16 16 GLY CA C 16 47.200 45.682 1.518 1
1 170 . 7 1 1 A 16 16 GLY N N 16 114.400 107.074 7.326 1
1 171 . 7 1 1 A 17 17 ASP H H 17 8.600 8.588 0.012 1
1 172 . 7 1 1 A 17 17 ASP HA H 17 4.600 4.668 -0.068 1
1 175 . 7 1 1 A 17 17 ASP C C 17 174.800 174.377 0.423 1
1 176 . 7 1 1 A 17 17 ASP CA C 17 53.800 54.006 -0.206 1
1 177 . 7 1 1 A 17 17 ASP CB C 17 40.200 41.484 -1.284 1
1 178 . 7 1 1 A 17 17 ASP N N 17 126.400 125.999 0.401 1
1 179 . 7 1 1 A 18 18 THR H H 18 7.710 7.544 0.166 1
1 180 . 7 1 1 A 18 18 THR HA H 18 5.120 5.154 -0.034 1
1 185 . 7 1 1 A 18 18 THR C C 18 171.900 173.252 -1.352 1
1 186 . 7 1 1 A 18 18 THR CA C 18 60.400 60.791 -0.391 1
1 187 . 7 1 1 A 18 18 THR CB C 18 72.300 72.860 -0.560 1
1 189 . 7 1 1 A 18 18 THR N N 18 112.300 115.182 -2.882 1
1 190 . 7 1 1 A 19 19 ALA H H 19 9.090 9.163 -0.073 1
1 191 . 7 1 1 A 19 19 ALA HA H 19 5.250 5.636 -0.386 1
1 195 . 7 1 1 A 19 19 ALA C C 19 175.000 175.395 -0.395 1
1 196 . 7 1 1 A 19 19 ALA CA C 19 50.300 50.259 0.041 1
1 197 . 7 1 1 A 19 19 ALA CB C 19 23.900 21.563 2.337 1
1 198 . 7 1 1 A 19 19 ALA N N 19 123.300 128.401 -5.101 1
1 199 . 7 1 1 A 20 20 HIS H H 20 9.130 9.552 -0.422 1
1 200 . 7 1 1 A 20 20 HIS HA H 20 5.550 5.166 0.384 1
1 205 . 7 1 1 A 20 20 HIS C C 20 173.100 173.517 -0.417 1
1 206 . 7 1 1 A 20 20 HIS CA C 20 54.700 54.797 -0.097 1
1 207 . 7 1 1 A 20 20 HIS CB C 20 31.900 33.014 -1.114 1
1 210 . 7 1 1 A 20 20 HIS N N 20 120.000 124.038 -4.038 1
1 211 . 7 1 1 A 21 21 CYS H H 21 8.910 8.038 0.872 1
1 212 . 7 1 1 A 21 21 CYS HA H 21 4.700 4.743 -0.043 1
1 215 . 7 1 1 A 21 21 CYS C C 21 176.400 174.959 1.441 1
1 216 . 7 1 1 A 21 21 CYS CA C 21 57.900 57.069 0.831 1
1 217 . 7 1 1 A 21 21 CYS CB C 21 31.700 29.562 2.138 1
1 218 . 7 1 1 A 21 21 CYS N N 21 129.200 126.880 2.320 1
1 219 . 7 1 1 A 22 22 GLU H H 22 9.030 8.353 0.677 1
1 220 . 7 1 1 A 22 22 GLU HA H 22 4.130 4.284 -0.154 1
1 225 . 7 1 1 A 22 22 GLU C C 22 177.400 177.156 0.244 1
1 226 . 7 1 1 A 22 22 GLU CA C 22 58.200 59.426 -1.226 1
1 227 . 7 1 1 A 22 22 GLU CB C 22 29.500 30.015 -0.515 1
1 229 . 7 1 1 A 22 22 GLU N N 22 128.800 127.074 1.726 1
1 230 . 7 1 1 A 23 23 THR H H 23 8.360 7.489 0.871 1
1 231 . 7 1 1 A 23 23 THR HA H 23 3.920 4.322 -0.402 1
1 236 . 7 1 1 A 23 23 THR C C 23 176.500 174.915 1.585 1
1 237 . 7 1 1 A 23 23 THR CA C 23 66.800 62.463 4.337 1
1 238 . 7 1 1 A 23 23 THR CB C 23 69.100 68.687 0.413 1
1 240 . 7 1 1 A 23 23 THR N N 23 119.800 110.374 9.426 1
1 241 . 7 1 1 A 24 24 CYS H H 24 9.570 8.941 0.629 1
1 242 . 7 1 1 A 24 24 CYS HA H 24 3.880 4.157 -0.277 1
1 245 . 7 1 1 A 24 24 CYS C C 24 174.900 174.014 0.886 1
1 246 . 7 1 1 A 24 24 CYS CA C 24 62.000 59.743 2.257 1
1 247 . 7 1 1 A 24 24 CYS CB C 24 30.300 25.313 4.987 1
1 248 . 7 1 1 A 24 24 CYS N N 24 123.600 122.562 1.038 1
1 249 . 7 1 1 A 25 25 ALA H H 25 7.720 8.008 -0.288 1
1 250 . 7 1 1 A 25 25 ALA HA H 25 3.820 4.551 -0.731 1
1 254 . 7 1 1 A 25 25 ALA C C 25 175.400 176.713 -1.313 1
1 255 . 7 1 1 A 25 25 ALA CA C 25 52.500 52.136 0.364 1
1 256 . 7 1 1 A 25 25 ALA CB C 25 16.000 18.589 -2.589 1
1 257 . 7 1 1 A 25 25 ALA N N 25 121.400 126.909 -5.509 1
1 258 . 7 1 1 A 26 26 LYS H H 26 6.910 7.734 -0.824 1
1 259 . 7 1 1 A 26 26 LYS HA H 26 4.450 4.661 -0.211 1
1 268 . 7 1 1 A 26 26 LYS CA C 26 54.600 54.500 0.100 1
1 269 . 7 1 1 A 26 26 LYS CB C 26 37.900 35.374 2.526 1
1 273 . 7 1 1 A 26 26 LYS N N 26 116.100 123.266 -7.166 1
1 274 . 7 1 1 A 27 27 ASP HA H 27 5.610 5.743 -0.133 1
1 277 . 7 1 1 A 27 27 ASP C C 27 174.400 174.402 -0.002 1
1 278 . 7 1 1 A 27 27 ASP CA C 27 53.000 52.203 0.797 1
1 279 . 7 1 1 A 27 27 ASP CB C 27 44.200 42.797 1.403 1
1 280 . 7 1 1 A 28 28 PHE H H 28 9.200 9.576 -0.376 1
1 281 . 7 1 1 A 28 28 PHE HA H 28 4.890 5.052 -0.162 1
1 289 . 7 1 1 A 28 28 PHE C C 28 175.500 175.029 0.471 1
1 290 . 7 1 1 A 28 28 PHE CA C 28 56.800 56.800 0.000 1
1 291 . 7 1 1 A 28 28 PHE CB C 28 42.900 41.203 1.697 1
1 297 . 7 1 1 A 28 28 PHE N N 28 118.100 122.212 -4.112 1
1 298 . 7 1 1 A 29 29 SER H H 29 9.070 8.926 0.144 1
1 299 . 7 1 1 A 29 29 SER HA H 29 4.750 4.904 -0.154 1
1 302 . 7 1 1 A 29 29 SER C C 29 173.400 174.148 -0.748 1
1 303 . 7 1 1 A 29 29 SER CA C 29 58.400 57.485 0.915 1
1 304 . 7 1 1 A 29 29 SER CB C 29 64.100 63.590 0.510 1
1 305 . 7 1 1 A 29 29 SER N N 29 118.400 119.191 -0.791 1
1 306 . 7 1 1 A 30 30 LEU H H 30 8.180 9.206 -1.026 1
1 307 . 7 1 1 A 30 30 LEU HA H 30 5.200 5.163 0.037 1
1 317 . 7 1 1 A 30 30 LEU CA C 30 53.100 53.707 -0.607 1
1 318 . 7 1 1 A 30 30 LEU CB C 30 44.800 44.294 0.506 1
1 322 . 7 1 1 A 30 30 LEU N N 30 122.200 128.527 -6.327 1
1 323 . 7 1 1 A 31 31 GLN HA H 31 4.680 5.189 -0.509 1
1 328 . 7 1 1 A 31 31 GLN C C 31 173.600 175.296 -1.696 1
1 329 . 7 1 1 A 31 31 GLN CA C 31 54.200 53.915 0.285 1
1 330 . 7 1 1 A 31 31 GLN CB C 31 31.800 31.952 -0.152 1
1 332 . 7 1 1 A 32 32 ALA H H 32 8.560 8.725 -0.165 1
1 333 . 7 1 1 A 32 32 ALA HA H 32 3.990 4.215 -0.225 1
1 337 . 7 1 1 A 32 32 ALA C C 32 175.600 177.693 -2.093 1
1 338 . 7 1 1 A 32 32 ALA CA C 32 50.900 52.258 -1.358 1
1 339 . 7 1 1 A 32 32 ALA CB C 32 20.300 18.868 1.432 1
1 340 . 7 1 1 A 32 32 ALA N N 32 128.100 128.741 -0.641 1
1 341 . 7 1 1 A 33 33 LEU H H 33 8.740 8.898 -0.158 1
1 342 . 7 1 1 A 33 33 LEU HA H 33 4.560 5.001 -0.441 1
1 352 . 7 1 1 A 33 33 LEU C C 33 175.400 174.919 0.481 1
1 353 . 7 1 1 A 33 33 LEU CA C 33 52.700 53.241 -0.541 1
1 354 . 7 1 1 A 33 33 LEU CB C 33 44.200 45.961 -1.761 1
1 358 . 7 1 1 A 33 33 LEU N N 33 124.500 124.658 -0.158 1
1 359 . 7 1 1 A 34 34 CYS H H 34 8.260 8.677 -0.417 1
1 360 . 7 1 1 A 34 34 CYS HA H 34 4.270 4.793 -0.523 1
1 363 . 7 1 1 A 34 34 CYS CA C 34 56.900 57.491 -0.591 1
1 364 . 7 1 1 A 34 34 CYS CB C 34 31.400 28.150 3.250 1
1 365 . 7 1 1 A 34 34 CYS N N 34 123.600 122.854 0.746 1
1 366 . 7 1 1 A 35 35 PRO HA H 35 4.290 4.389 -0.099 1
1 373 . 7 1 1 A 35 35 PRO C C 35 176.100 177.912 -1.812 1
1 374 . 7 1 1 A 35 35 PRO CA C 35 63.700 64.585 -0.885 1
1 375 . 7 1 1 A 35 35 PRO CB C 35 31.600 32.060 -0.460 1
1 378 . 7 1 1 A 36 36 ASP H H 36 8.980 8.192 0.788 1
1 379 . 7 1 1 A 36 36 ASP HA H 36 4.600 4.353 0.247 1
1 382 . 7 1 1 A 36 36 ASP C C 36 176.500 176.113 0.387 1
1 383 . 7 1 1 A 36 36 ASP CA C 36 56.400 56.935 -0.535 1
1 384 . 7 1 1 A 36 36 ASP CB C 36 40.100 40.442 -0.342 1
1 385 . 7 1 1 A 36 36 ASP N N 36 122.200 114.484 7.716 1
1 386 . 7 1 1 A 37 37 CYS H H 37 7.840 7.762 0.078 1
1 387 . 7 1 1 A 37 37 CYS HA H 37 5.000 4.480 0.520 1
1 390 . 7 1 1 A 37 37 CYS C C 37 175.400 173.465 1.935 1
1 391 . 7 1 1 A 37 37 CYS CA C 37 58.400 58.400 0.000 1
1 392 . 7 1 1 A 37 37 CYS CB C 37 32.300 27.472 4.828 1
1 393 . 7 1 1 A 37 37 CYS N N 37 116.000 116.853 -0.853 1
1 394 . 7 1 1 A 38 38 ARG H H 38 7.880 8.792 -0.912 1
1 395 . 7 1 1 A 38 38 ARG HA H 38 4.050 4.397 -0.347 1
1 402 . 7 1 1 A 38 38 ARG C C 38 173.700 174.403 -0.703 1
1 403 . 7 1 1 A 38 38 ARG CA C 38 58.100 55.231 2.869 1
1 404 . 7 1 1 A 38 38 ARG CB C 38 27.400 28.474 -1.074 1
1 407 . 7 1 1 A 38 38 ARG N N 38 117.700 127.466 -9.766 1
1 408 . 7 1 1 A 39 39 GLN H H 39 7.720 7.707 0.013 1
1 409 . 7 1 1 A 39 39 GLN HA H 39 4.710 4.791 -0.081 1
1 414 . 7 1 1 A 39 39 GLN CA C 39 53.900 52.729 1.171 1
1 415 . 7 1 1 A 39 39 GLN CB C 39 28.100 30.611 -2.511 1
1 417 . 7 1 1 A 39 39 GLN N N 39 117.500 123.200 -5.700 1
1 418 . 7 1 1 A 40 40 PRO HA H 40 4.570 4.239 0.331 1
1 425 . 7 1 1 A 40 40 PRO C C 40 176.600 177.361 -0.761 1
1 426 . 7 1 1 A 40 40 PRO CA C 40 63.700 63.396 0.304 1
1 427 . 7 1 1 A 40 40 PRO CB C 40 31.900 32.057 -0.157 1
1 430 . 7 1 1 A 41 41 LEU H H 41 8.170 7.930 0.240 1
1 431 . 7 1 1 A 41 41 LEU HA H 41 4.460 4.015 0.445 1
1 441 . 7 1 1 A 41 41 LEU C C 41 177.200 175.316 1.884 1
1 442 . 7 1 1 A 41 41 LEU CA C 41 54.000 57.298 -3.298 1
1 443 . 7 1 1 A 41 41 LEU CB C 41 43.200 40.699 2.501 1
1 447 . 7 1 1 A 41 41 LEU N N 41 124.100 119.291 4.809 1
1 448 . 7 1 1 A 42 42 GLN H H 42 9.240 8.147 1.093 1
1 449 . 7 1 1 A 42 42 GLN HA H 42 4.490 4.712 -0.222 1
1 454 . 7 1 1 A 42 42 GLN C C 42 175.000 174.030 0.970 1
1 455 . 7 1 1 A 42 42 GLN CA C 42 55.300 55.738 -0.438 1
1 456 . 7 1 1 A 42 42 GLN CB C 42 29.600 31.948 -2.348 1
1 458 . 7 1 1 A 42 42 GLN N N 42 122.100 116.611 5.489 1
1 459 . 7 1 1 A 43 43 VAL H H 43 8.600 8.787 -0.187 1
1 460 . 7 1 1 A 43 43 VAL HA H 43 4.260 4.351 -0.091 1
1 468 . 7 1 1 A 43 43 VAL C C 43 175.500 175.326 0.174 1
1 469 . 7 1 1 A 43 43 VAL CA C 43 62.100 63.133 -1.033 1
1 470 . 7 1 1 A 43 43 VAL CB C 43 32.000 31.318 0.682 1
1 473 . 7 1 1 A 43 43 VAL N N 43 126.400 127.203 -0.803 1
1 474 . 7 1 1 A 44 44 LEU H H 44 8.940 9.015 -0.075 1
1 475 . 7 1 1 A 44 44 LEU HA H 44 4.510 5.108 -0.598 1
1 485 . 7 1 1 A 44 44 LEU C C 44 175.500 175.384 0.116 1
1 486 . 7 1 1 A 44 44 LEU CA C 44 53.400 53.244 0.156 1
1 487 . 7 1 1 A 44 44 LEU CB C 44 42.800 45.002 -2.202 1
1 491 . 7 1 1 A 44 44 LEU N N 44 130.200 128.355 1.845 1
1 492 . 7 1 1 A 45 45 LYS H H 45 8.520 8.649 -0.129 1
1 493 . 7 1 1 A 45 45 LYS HA H 45 4.830 4.712 0.118 1
1 502 . 7 1 1 A 45 45 LYS C C 45 175.600 176.646 -1.046 1
1 503 . 7 1 1 A 45 45 LYS CA C 45 55.700 55.157 0.543 1
1 504 . 7 1 1 A 45 45 LYS CB C 45 33.500 33.901 -0.401 1
1 508 . 7 1 1 A 45 45 LYS N N 45 123.700 121.523 2.177 1
1 509 . 7 1 1 A 46 46 ALA H H 46 8.220 9.012 -0.792 1
1 510 . 7 1 1 A 46 46 ALA HA H 46 4.540 3.836 0.704 1
1 514 . 7 1 1 A 46 46 ALA C C 46 176.900 176.716 0.184 1
1 515 . 7 1 1 A 46 46 ALA CA C 46 51.900 54.141 -2.241 1
1 516 . 7 1 1 A 46 46 ALA CB C 46 20.700 18.078 2.622 1
1 517 . 7 1 1 A 46 46 ALA N N 46 126.400 123.156 3.244 1
1 518 . 7 1 1 A 47 47 CYS H H 47 9.200 8.662 0.538 1
1 519 . 7 1 1 A 47 47 CYS HA H 47 4.080 4.323 -0.243 1
1 522 . 7 1 1 A 47 47 CYS C C 47 175.100 174.772 0.328 1
1 523 . 7 1 1 A 47 47 CYS CA C 47 59.700 60.931 -1.231 1
1 524 . 7 1 1 A 47 47 CYS CB C 47 25.800 27.359 -1.559 1
1 525 . 7 1 1 A 47 47 CYS N N 47 120.400 117.106 3.294 1
1 526 . 7 1 1 A 48 48 GLY H H 48 8.620 8.772 -0.152 1
1 527 . 7 1 1 A 48 48 GLY HA2 H 48 3.670 4.136 -0.466 1
1 528 . 7 1 1 A 48 48 GLY HA3 H 48 4.070 4.148 -0.078 1
1 529 . 7 1 1 A 48 48 GLY C C 48 173.100 174.690 -1.590 1
1 530 . 7 1 1 A 48 48 GLY CA C 48 45.500 45.933 -0.433 1
1 531 . 7 1 1 A 48 48 GLY N N 48 109.000 108.164 0.836 1
1 532 . 7 1 1 A 49 49 ALA H H 49 7.820 6.958 0.862 1
1 533 . 7 1 1 A 49 49 ALA HA H 49 4.620 4.443 0.177 1
1 537 . 7 1 1 A 49 49 ALA C C 49 176.000 175.988 0.012 1
1 538 . 7 1 1 A 49 49 ALA CA C 49 51.000 52.800 -1.800 1
1 539 . 7 1 1 A 49 49 ALA CB C 49 21.300 19.825 1.475 1
1 540 . 7 1 1 A 49 49 ALA N N 49 124.000 117.117 6.883 1
1 541 . 7 1 1 A 50 50 VAL H H 50 8.100 7.962 0.138 1
1 542 . 7 1 1 A 50 50 VAL HA H 50 4.560 4.315 0.245 1
1 550 . 7 1 1 A 50 50 VAL C C 50 174.300 173.803 0.497 1
1 551 . 7 1 1 A 50 50 VAL CA C 50 61.400 61.718 -0.318 1
1 552 . 7 1 1 A 50 50 VAL CB C 50 33.800 32.930 0.870 1
1 555 . 7 1 1 A 50 50 VAL N N 50 119.600 114.964 4.636 1
1 556 . 7 1 1 A 51 51 ASP H H 51 8.640 9.395 -0.755 1
1 557 . 7 1 1 A 51 51 ASP HA H 51 5.030 5.539 -0.509 1
1 560 . 7 1 1 A 51 51 ASP C C 51 173.000 174.072 -1.072 1
1 561 . 7 1 1 A 51 51 ASP CA C 51 52.000 52.559 -0.559 1
1 562 . 7 1 1 A 51 51 ASP CB C 51 43.900 44.152 -0.252 1
1 563 . 7 1 1 A 51 51 ASP N N 51 124.900 129.487 -4.587 1
1 564 . 7 1 1 A 52 52 TYR H H 52 8.950 9.020 -0.070 1
1 565 . 7 1 1 A 52 52 TYR HA H 52 5.150 5.402 -0.252 1
1 572 . 7 1 1 A 52 52 TYR C C 52 174.500 174.586 -0.086 1
1 573 . 7 1 1 A 52 52 TYR CA C 52 57.300 56.596 0.704 1
1 574 . 7 1 1 A 52 52 TYR CB C 52 41.200 40.057 1.143 1
1 579 . 7 1 1 A 52 52 TYR N N 52 118.500 123.001 -4.501 1
1 580 . 7 1 1 A 53 53 PHE H H 53 9.250 8.989 0.261 1
1 581 . 7 1 1 A 53 53 PHE HA H 53 5.040 4.922 0.118 1
1 588 . 7 1 1 A 53 53 PHE C C 53 173.200 173.931 -0.731 1
1 589 . 7 1 1 A 53 53 PHE CA C 53 56.400 58.033 -1.633 1
1 590 . 7 1 1 A 53 53 PHE CB C 53 44.300 41.507 2.793 1
1 595 . 7 1 1 A 53 53 PHE N N 53 123.100 124.441 -1.341 1
1 596 . 7 1 1 A 54 54 CYS H H 54 9.160 8.559 0.601 1
1 597 . 7 1 1 A 54 54 CYS HA H 54 4.690 4.763 -0.073 1
1 600 . 7 1 1 A 54 54 CYS C C 54 175.700 174.925 0.775 1
1 601 . 7 1 1 A 54 54 CYS CA C 54 58.200 58.016 0.184 1
1 602 . 7 1 1 A 54 54 CYS CB C 54 29.600 27.207 2.393 1
1 603 . 7 1 1 A 54 54 CYS N N 54 130.800 125.214 5.586 1
1 604 . 7 1 1 A 55 55 GLN H H 55 9.260 8.250 1.010 1
1 605 . 7 1 1 A 55 55 GLN HA H 55 4.300 3.923 0.377 1
1 610 . 7 1 1 A 55 55 GLN C C 55 174.400 175.621 -1.221 1
1 611 . 7 1 1 A 55 55 GLN CA C 55 56.900 58.727 -1.827 1
1 612 . 7 1 1 A 55 55 GLN CB C 55 28.900 29.194 -0.294 1
1 614 . 7 1 1 A 55 55 GLN N N 55 129.000 124.449 4.551 1
1 615 . 7 1 1 A 56 56 ASN H H 56 9.100 8.004 1.096 1
1 616 . 7 1 1 A 56 56 ASN HA H 56 4.860 5.023 -0.163 1
1 619 . 7 1 1 A 56 56 ASN C C 56 174.100 175.890 -1.790 1
1 620 . 7 1 1 A 56 56 ASN CA C 56 52.100 51.371 0.729 1
1 621 . 7 1 1 A 56 56 ASN CB C 56 39.500 40.724 -1.224 1
1 622 . 7 1 1 A 56 56 ASN N N 56 122.300 112.831 9.469 1
1 623 . 7 1 1 A 57 57 GLY H H 57 7.180 8.620 -1.440 1
1 624 . 7 1 1 A 57 57 GLY HA2 H 57 3.450 4.005 -0.555 1
1 625 . 7 1 1 A 57 57 GLY HA3 H 57 4.000 4.011 -0.011 1
1 626 . 7 1 1 A 57 57 GLY C C 57 175.800 174.391 1.409 1
1 627 . 7 1 1 A 57 57 GLY CA C 57 45.100 45.944 -0.844 1
1 628 . 7 1 1 A 57 57 GLY N N 57 104.200 109.210 -5.010 1
1 629 . 7 1 1 A 58 58 HIS H H 58 7.380 7.997 -0.617 1
1 630 . 7 1 1 A 58 58 HIS HA H 58 4.620 4.582 0.038 1
1 633 . 7 1 1 A 58 58 HIS C C 58 174.100 175.230 -1.130 1
1 634 . 7 1 1 A 58 58 HIS CA C 58 59.600 57.525 2.075 1
1 635 . 7 1 1 A 58 58 HIS CB C 58 30.100 31.245 -1.145 1
1 636 . 7 1 1 A 58 58 HIS N N 58 116.000 120.724 -4.724 1
1 637 . 7 1 1 A 59 59 GLY H H 59 7.610 6.853 0.757 1
1 638 . 7 1 1 A 59 59 GLY HA2 H 59 2.930 3.572 -0.642 1
1 639 . 7 1 1 A 59 59 GLY HA3 H 59 3.700 3.748 -0.048 1
1 640 . 7 1 1 A 59 59 GLY C C 59 173.100 172.606 0.494 1
1 641 . 7 1 1 A 59 59 GLY CA C 59 45.500 45.276 0.224 1
1 642 . 7 1 1 A 59 59 GLY N N 59 108.000 104.736 3.264 1
1 643 . 7 1 1 A 60 60 LEU H H 60 8.450 8.333 0.117 1
1 644 . 7 1 1 A 60 60 LEU HA H 60 4.620 3.653 0.967 1
1 654 . 7 1 1 A 60 60 LEU C C 60 176.800 176.012 0.788 1
1 655 . 7 1 1 A 60 60 LEU CA C 60 55.700 54.385 1.315 1
1 656 . 7 1 1 A 60 60 LEU CB C 60 42.200 42.394 -0.194 1
1 660 . 7 1 1 A 60 60 LEU N N 60 124.300 120.486 3.814 1
1 661 . 7 1 1 A 61 61 ILE H H 61 8.740 8.254 0.486 1
1 662 . 7 1 1 A 61 61 ILE HA H 61 4.200 4.546 -0.346 1
1 672 . 7 1 1 A 61 61 ILE C C 61 175.500 175.463 0.037 1
1 673 . 7 1 1 A 61 61 ILE CA C 61 57.000 59.644 -2.644 1
1 674 . 7 1 1 A 61 61 ILE CB C 61 37.400 40.670 -3.270 1
1 678 . 7 1 1 A 61 61 ILE N N 61 128.500 124.290 4.210 1
1 679 . 7 1 1 A 62 62 SER H H 62 8.490 8.707 -0.217 1
1 680 . 7 1 1 A 62 62 SER HA H 62 4.380 4.600 -0.220 1
1 683 . 7 1 1 A 62 62 SER C C 62 176.500 174.854 1.646 1
1 684 . 7 1 1 A 62 62 SER CA C 62 58.300 59.849 -1.549 1
1 685 . 7 1 1 A 62 62 SER CB C 62 63.500 63.701 -0.201 1
1 686 . 7 1 1 A 62 62 SER N N 62 121.700 123.100 -1.400 1
1 687 . 7 1 1 A 63 63 LYS H H 63 9.040 9.275 -0.235 1
1 688 . 7 1 1 A 63 63 LYS HA H 63 3.910 4.469 -0.559 1
1 697 . 7 1 1 A 63 63 LYS C C 63 178.200 177.674 0.526 1
1 698 . 7 1 1 A 63 63 LYS CA C 63 60.300 58.609 1.691 1
1 699 . 7 1 1 A 63 63 LYS CB C 63 32.000 32.351 -0.351 1
1 703 . 7 1 1 A 63 63 LYS N N 63 126.000 125.403 0.597 1
1 704 . 7 1 1 A 64 64 LYS H H 64 8.090 8.147 -0.057 1
1 705 . 7 1 1 A 64 64 LYS HA H 64 4.190 4.279 -0.089 1
1 714 . 7 1 1 A 64 64 LYS C C 64 177.000 178.217 -1.217 1
1 715 . 7 1 1 A 64 64 LYS CA C 64 58.000 58.809 -0.809 1
1 716 . 7 1 1 A 64 64 LYS CB C 64 32.300 32.645 -0.345 1
1 720 . 7 1 1 A 64 64 LYS N N 64 115.400 120.591 -5.191 1
1 721 . 7 1 1 A 65 65 ARG H H 65 7.960 8.604 -0.644 1
1 722 . 7 1 1 A 65 65 ARG HA H 65 4.280 4.536 -0.256 1
1 729 . 7 1 1 A 65 65 ARG C C 65 176.000 176.613 -0.613 1
1 730 . 7 1 1 A 65 65 ARG CA C 65 55.900 56.733 -0.833 1
1 731 . 7 1 1 A 65 65 ARG CB C 65 32.000 31.394 0.606 1
1 734 . 7 1 1 A 65 65 ARG N N 65 116.600 118.496 -1.896 1
1 735 . 7 1 1 A 66 66 VAL H H 66 6.810 7.095 -0.285 1
1 736 . 7 1 1 A 66 66 VAL HA H 66 2.800 3.893 -1.093 1
1 744 . 7 1 1 A 66 66 VAL C C 66 174.500 175.492 -0.992 1
1 745 . 7 1 1 A 66 66 VAL CA C 66 65.000 62.942 2.058 1
1 746 . 7 1 1 A 66 66 VAL CB C 66 32.000 31.727 0.273 1
1 749 . 7 1 1 A 66 66 VAL N N 66 119.600 120.603 -1.003 1
1 750 . 7 1 1 A 67 67 ASN H H 67 7.270 8.253 -0.983 1
1 751 . 7 1 1 A 67 67 ASN HA H 67 4.840 4.883 -0.043 1
1 756 . 7 1 1 A 67 67 ASN C C 67 173.200 173.617 -0.417 1
1 757 . 7 1 1 A 67 67 ASN CA C 67 51.200 51.742 -0.542 1
1 758 . 7 1 1 A 67 67 ASN CB C 67 39.100 38.432 0.668 1
1 759 . 7 1 1 A 67 67 ASN N N 67 123.500 126.107 -2.607 1
1 761 . 7 1 1 A 68 68 PHE H H 68 8.180 9.049 -0.869 1
1 762 . 7 1 1 A 68 68 PHE HA H 68 5.170 5.073 0.097 1
1 770 . 7 1 1 A 68 68 PHE C C 68 175.300 174.833 0.467 1
1 771 . 7 1 1 A 68 68 PHE CA C 68 58.000 57.455 0.545 1
1 772 . 7 1 1 A 68 68 PHE CB C 68 41.100 38.864 2.236 1
1 778 . 7 1 1 A 68 68 PHE N N 68 123.300 126.636 -3.336 1
1 779 . 7 1 1 A 69 69 VAL H H 69 8.660 9.034 -0.374 1
1 780 . 7 1 1 A 69 69 VAL HA H 69 4.520 4.866 -0.346 1
1 788 . 7 1 1 A 69 69 VAL C C 69 175.100 175.279 -0.179 1
1 789 . 7 1 1 A 69 69 VAL CA C 69 59.200 59.942 -0.742 1
1 790 . 7 1 1 A 69 69 VAL CB C 69 35.100 34.073 1.027 1
1 793 . 7 1 1 A 69 69 VAL N N 69 116.500 123.990 -7.490 1
1 794 . 7 1 1 A 70 70 ILE H H 70 8.480 8.677 -0.197 1
1 795 . 7 1 1 A 70 70 ILE HA H 70 4.350 4.218 0.132 1
1 805 . 7 1 1 A 70 70 ILE C C 70 176.400 175.751 0.649 1
1 806 . 7 1 1 A 70 70 ILE CA C 70 61.300 61.647 -0.347 1
1 807 . 7 1 1 A 70 70 ILE CB C 70 38.200 38.187 0.013 1
1 811 . 7 1 1 A 70 70 ILE N N 70 123.100 127.499 -4.399 1
1 812 . 7 1 1 A 71 71 SER H H 71 8.770 8.632 0.138 1
1 813 . 7 1 1 A 71 71 SER HA H 71 4.550 4.498 0.052 1
1 816 . 7 1 1 A 71 71 SER C C 71 174.200 174.155 0.045 1
1 817 . 7 1 1 A 71 71 SER CA C 71 57.700 57.950 -0.250 1
1 818 . 7 1 1 A 71 71 SER CB C 71 64.100 60.880 3.220 1
1 819 . 7 1 1 A 71 71 SER N N 71 122.200 123.612 -1.412 1
1 820 . 7 1 1 A 72 72 ASP H H 72 8.470 8.895 -0.425 1
1 821 . 7 1 1 A 72 72 ASP HA H 72 4.720 4.731 -0.011 1
1 824 . 7 1 1 A 72 72 ASP C C 72 176.100 175.944 0.156 1
1 825 . 7 1 1 A 72 72 ASP CA C 72 54.200 55.909 -1.709 1
1 826 . 7 1 1 A 72 72 ASP CB C 72 41.200 42.049 -0.849 1
1 827 . 7 1 1 A 72 72 ASP N N 72 122.700 126.570 -3.870 1
1 828 . 7 1 1 A 73 73 GLN H H 73 8.490 7.783 0.707 1
1 829 . 7 1 1 A 73 73 GLN HA H 73 4.310 4.495 -0.185 1
1 834 . 7 1 1 A 73 73 GLN C C 73 176.000 174.850 1.150 1
1 835 . 7 1 1 A 73 73 GLN CA C 73 56.100 55.291 0.809 1
1 836 . 7 1 1 A 73 73 GLN CB C 73 29.200 28.568 0.632 1
1 838 . 7 1 1 A 73 73 GLN N N 73 120.300 118.204 2.096 1
1 839 . 7 1 1 A 74 74 LEU H H 74 8.250 8.703 -0.453 1
1 840 . 7 1 1 A 74 74 LEU HA H 74 4.250 4.616 -0.366 1
1 850 . 7 1 1 A 74 74 LEU C C 74 177.100 176.530 0.570 1
1 851 . 7 1 1 A 74 74 LEU CA C 74 55.200 53.949 1.251 1
1 852 . 7 1 1 A 74 74 LEU CB C 74 42.100 42.515 -0.415 1
1 856 . 7 1 1 A 74 74 LEU N N 74 123.000 126.348 -3.348 1
1 857 . 7 1 1 A 75 75 GLU H H 75 8.260 8.553 -0.293 1
1 858 . 7 1 1 A 75 75 GLU HA H 75 4.170 4.336 -0.166 1
1 863 . 7 1 1 A 75 75 GLU C C 75 176.200 176.934 -0.734 1
1 864 . 7 1 1 A 75 75 GLU CA C 75 56.300 58.987 -2.687 1
1 865 . 7 1 1 A 75 75 GLU CB C 75 29.800 30.340 -0.540 1
1 867 . 7 1 1 A 75 75 GLU N N 75 120.700 125.077 -4.377 1
1 868 . 7 1 1 A 76 76 HIS H H 76 8.480 7.687 0.793 1
1 869 . 7 1 1 A 76 76 HIS HA H 76 4.610 4.712 -0.102 1
1 872 . 7 1 1 A 76 76 HIS C C 76 174.200 174.896 -0.696 1
1 873 . 7 1 1 A 76 76 HIS CA C 76 55.100 55.112 -0.012 1
1 874 . 7 1 1 A 76 76 HIS CB C 76 28.700 31.233 -2.533 1
1 875 . 7 1 1 A 76 76 HIS N N 76 119.100 116.343 2.757 1
1 876 . 7 1 1 A 77 77 HIS H H 77 8.540 8.759 -0.219 1
1 877 . 7 1 1 A 77 77 HIS HA H 77 4.620 5.479 -0.859 1
1 880 . 7 1 1 A 77 77 HIS C C 77 174.100 172.912 1.188 1
1 881 . 7 1 1 A 77 77 HIS CA C 77 55.300 54.028 1.272 1
1 882 . 7 1 1 A 77 77 HIS CB C 77 28.900 32.438 -3.538 1
1 883 . 7 1 1 A 77 77 HIS N N 77 118.700 116.736 1.964 1
1 884 . 7 1 1 A 78 78 HIS H H 78 8.630 9.248 -0.618 1
1 885 . 7 1 1 A 78 78 HIS HA H 78 4.660 4.917 -0.257 1
1 888 . 7 1 1 A 78 78 HIS C C 78 174.100 174.259 -0.159 1
1 889 . 7 1 1 A 78 78 HIS CA C 78 55.200 53.961 1.239 1
1 890 . 7 1 1 A 78 78 HIS CB C 78 29.100 29.779 -0.679 1
1 891 . 7 1 1 A 78 78 HIS N N 78 119.500 125.547 -6.047 1
1 892 . 7 1 1 A 79 79 HIS H H 79 8.690 8.909 -0.219 1
1 893 . 7 1 1 A 79 79 HIS HA H 79 4.660 4.423 0.237 1
1 896 . 7 1 1 A 79 79 HIS C C 79 173.900 174.730 -0.830 1
1 897 . 7 1 1 A 79 79 HIS CA C 79 55.200 57.780 -2.580 1
1 898 . 7 1 1 A 79 79 HIS CB C 79 29.100 31.176 -2.076 1
1 899 . 7 1 1 A 79 79 HIS N N 79 120.400 126.442 -6.042 1
1 900 . 7 1 1 A 80 80 HIS H H 80 8.590 7.815 0.775 1
1 901 . 7 1 1 A 80 80 HIS HA H 80 4.630 4.861 -0.231 1
1 904 . 7 1 1 A 80 80 HIS C C 80 173.400 174.613 -1.213 1
1 905 . 7 1 1 A 80 80 HIS CA C 80 55.400 53.474 1.926 1
1 906 . 7 1 1 A 80 80 HIS CB C 80 29.300 32.605 -3.305 1
1 907 . 7 1 1 A 80 80 HIS N N 80 120.600 114.415 6.185 1
1 7 . 8 1 1 A 2 2 GLU H H 2 8.850 7.972 0.878 1
1 8 . 8 1 1 A 2 2 GLU HA H 2 4.450 4.830 -0.380 1
1 13 . 8 1 1 A 2 2 GLU C C 2 175.400 175.782 -0.382 1
1 14 . 8 1 1 A 2 2 GLU CA C 2 55.900 54.588 1.312 1
1 15 . 8 1 1 A 2 2 GLU CB C 2 30.300 32.508 -2.208 1
1 17 . 8 1 1 A 2 2 GLU N N 2 123.600 118.054 5.546 1
1 18 . 8 1 1 A 3 3 ILE H H 3 8.590 8.400 0.190 1
1 19 . 8 1 1 A 3 3 ILE HA H 3 4.310 4.233 0.077 1
1 29 . 8 1 1 A 3 3 ILE C C 3 175.100 175.219 -0.119 1
1 30 . 8 1 1 A 3 3 ILE CA C 3 60.700 60.735 -0.035 1
1 31 . 8 1 1 A 3 3 ILE CB C 3 39.500 37.039 2.461 1
1 35 . 8 1 1 A 3 3 ILE N N 3 122.100 121.331 0.769 1
1 36 . 8 1 1 A 4 4 THR H H 4 8.130 8.372 -0.242 1
1 37 . 8 1 1 A 4 4 THR HA H 4 4.540 4.895 -0.355 1
1 42 . 8 1 1 A 4 4 THR C C 4 173.000 173.174 -0.174 1
1 43 . 8 1 1 A 4 4 THR CA C 4 59.700 61.404 -1.704 1
1 44 . 8 1 1 A 4 4 THR CB C 4 71.400 71.167 0.233 1
1 46 . 8 1 1 A 4 4 THR N N 4 116.800 121.404 -4.604 1
1 47 . 8 1 1 A 5 5 CYS H H 5 8.700 8.704 -0.004 1
1 48 . 8 1 1 A 5 5 CYS HA H 5 3.960 4.402 -0.442 1
1 51 . 8 1 1 A 5 5 CYS CA C 5 56.800 57.124 -0.324 1
1 52 . 8 1 1 A 5 5 CYS CB C 5 32.000 28.615 3.385 1
1 53 . 8 1 1 A 5 5 CYS N N 5 125.600 125.808 -0.208 1
1 54 . 8 1 1 A 6 6 PRO HA H 6 4.260 4.540 -0.280 1
1 61 . 8 1 1 A 6 6 PRO C C 6 176.000 177.260 -1.260 1
1 62 . 8 1 1 A 6 6 PRO CA C 6 63.900 63.895 0.005 1
1 63 . 8 1 1 A 6 6 PRO CB C 6 32.100 31.914 0.186 1
1 66 . 8 1 1 A 7 7 VAL H H 7 9.210 7.573 1.637 1
1 67 . 8 1 1 A 7 7 VAL HA H 7 3.820 4.035 -0.215 1
1 75 . 8 1 1 A 7 7 VAL CA C 7 64.900 64.354 0.546 1
1 76 . 8 1 1 A 7 7 VAL CB C 7 32.200 32.438 -0.238 1
1 79 . 8 1 1 A 7 7 VAL N N 7 122.500 115.694 6.806 1
1 80 . 8 1 1 A 8 8 CYS HA H 8 4.560 4.619 -0.059 1
1 83 . 8 1 1 A 8 8 CYS C C 8 176.800 175.528 1.272 1
1 84 . 8 1 1 A 8 8 CYS CA C 8 58.900 58.433 0.467 1
1 85 . 8 1 1 A 8 8 CYS CB C 8 32.000 29.715 2.285 1
1 86 . 8 1 1 A 9 9 HIS H H 9 7.550 8.312 -0.762 1
1 87 . 8 1 1 A 9 9 HIS HA H 9 4.470 4.133 0.337 1
1 91 . 8 1 1 A 9 9 HIS CA C 9 56.900 56.696 0.204 1
1 92 . 8 1 1 A 9 9 HIS CB C 9 25.900 28.587 -2.687 1
1 94 . 8 1 1 A 9 9 HIS N N 9 115.000 119.340 -4.340 1
1 95 . 8 1 1 A 10 10 HIS HA H 10 4.790 4.880 -0.090 1
1 100 . 8 1 1 A 10 10 HIS C C 10 174.700 174.507 0.193 1
1 101 . 8 1 1 A 10 10 HIS CA C 10 55.700 54.349 1.351 1
1 102 . 8 1 1 A 10 10 HIS CB C 10 29.800 32.308 -2.508 1
1 105 . 8 1 1 A 11 11 ALA H H 11 8.790 8.464 0.326 1
1 106 . 8 1 1 A 11 11 ALA HA H 11 4.310 4.339 -0.029 1
1 110 . 8 1 1 A 11 11 ALA C C 11 177.800 177.630 0.170 1
1 111 . 8 1 1 A 11 11 ALA CA C 11 53.400 52.325 1.075 1
1 112 . 8 1 1 A 11 11 ALA CB C 11 18.600 19.160 -0.560 1
1 113 . 8 1 1 A 11 11 ALA N N 11 124.500 125.405 -0.905 1
1 114 . 8 1 1 A 12 12 LEU H H 12 8.480 8.851 -0.371 1
1 115 . 8 1 1 A 12 12 LEU HA H 12 4.640 4.920 -0.280 1
1 125 . 8 1 1 A 12 12 LEU C C 12 176.900 175.753 1.147 1
1 126 . 8 1 1 A 12 12 LEU CA C 12 53.500 53.436 0.064 1
1 127 . 8 1 1 A 12 12 LEU CB C 12 44.100 43.590 0.510 1
1 131 . 8 1 1 A 12 12 LEU N N 12 121.200 122.039 -0.839 1
1 132 . 8 1 1 A 13 13 GLU H H 13 8.600 8.200 0.400 1
1 133 . 8 1 1 A 13 13 GLU HA H 13 4.590 4.856 -0.266 1
1 138 . 8 1 1 A 13 13 GLU C C 13 175.700 175.364 0.336 1
1 139 . 8 1 1 A 13 13 GLU CA C 13 54.700 55.329 -0.629 1
1 140 . 8 1 1 A 13 13 GLU CB C 13 30.200 31.380 -1.180 1
1 142 . 8 1 1 A 13 13 GLU N N 13 120.300 121.451 -1.151 1
1 143 . 8 1 1 A 14 14 ARG H H 14 9.010 8.800 0.210 1
1 144 . 8 1 1 A 14 14 ARG HA H 14 4.460 4.778 -0.318 1
1 151 . 8 1 1 A 14 14 ARG C C 14 174.900 174.776 0.124 1
1 152 . 8 1 1 A 14 14 ARG CA C 14 56.400 55.034 1.366 1
1 153 . 8 1 1 A 14 14 ARG CB C 14 31.800 31.644 0.156 1
1 156 . 8 1 1 A 14 14 ARG N N 14 126.500 128.485 -1.985 1
1 157 . 8 1 1 A 15 15 ASN H H 15 8.670 8.992 -0.322 1
1 158 . 8 1 1 A 15 15 ASN HA H 15 4.850 5.005 -0.155 1
1 161 . 8 1 1 A 15 15 ASN C C 15 174.900 175.630 -0.730 1
1 162 . 8 1 1 A 15 15 ASN CA C 15 52.100 51.553 0.547 1
1 163 . 8 1 1 A 15 15 ASN CB C 15 39.200 39.463 -0.263 1
1 164 . 8 1 1 A 15 15 ASN N N 15 125.100 125.715 -0.615 1
1 165 . 8 1 1 A 16 16 GLY H H 16 8.880 8.879 0.001 1
1 166 . 8 1 1 A 16 16 GLY HA2 H 16 3.570 3.898 -0.328 1
1 167 . 8 1 1 A 16 16 GLY HA3 H 16 4.000 3.909 0.091 1
1 168 . 8 1 1 A 16 16 GLY C C 16 173.700 174.515 -0.815 1
1 169 . 8 1 1 A 16 16 GLY CA C 16 47.200 47.608 -0.408 1
1 170 . 8 1 1 A 16 16 GLY N N 16 114.400 115.305 -0.905 1
1 171 . 8 1 1 A 17 17 ASP H H 17 8.600 8.761 -0.161 1
1 172 . 8 1 1 A 17 17 ASP HA H 17 4.600 4.715 -0.115 1
1 175 . 8 1 1 A 17 17 ASP C C 17 174.800 175.145 -0.345 1
1 176 . 8 1 1 A 17 17 ASP CA C 17 53.800 54.574 -0.774 1
1 177 . 8 1 1 A 17 17 ASP CB C 17 40.200 41.355 -1.155 1
1 178 . 8 1 1 A 17 17 ASP N N 17 126.400 126.554 -0.154 1
1 179 . 8 1 1 A 18 18 THR H H 18 7.710 7.663 0.047 1
1 180 . 8 1 1 A 18 18 THR HA H 18 5.120 5.144 -0.024 1
1 185 . 8 1 1 A 18 18 THR C C 18 171.900 172.970 -1.070 1
1 186 . 8 1 1 A 18 18 THR CA C 18 60.400 61.206 -0.806 1
1 187 . 8 1 1 A 18 18 THR CB C 18 72.300 71.863 0.437 1
1 189 . 8 1 1 A 18 18 THR N N 18 112.300 113.936 -1.636 1
1 190 . 8 1 1 A 19 19 ALA H H 19 9.090 9.469 -0.379 1
1 191 . 8 1 1 A 19 19 ALA HA H 19 5.250 5.529 -0.279 1
1 195 . 8 1 1 A 19 19 ALA C C 19 175.000 175.790 -0.790 1
1 196 . 8 1 1 A 19 19 ALA CA C 19 50.300 50.172 0.128 1
1 197 . 8 1 1 A 19 19 ALA CB C 19 23.900 20.863 3.037 1
1 198 . 8 1 1 A 19 19 ALA N N 19 123.300 128.323 -5.023 1
1 199 . 8 1 1 A 20 20 HIS H H 20 9.130 8.925 0.205 1
1 200 . 8 1 1 A 20 20 HIS HA H 20 5.550 4.966 0.584 1
1 205 . 8 1 1 A 20 20 HIS C C 20 173.100 173.678 -0.578 1
1 206 . 8 1 1 A 20 20 HIS CA C 20 54.700 55.470 -0.770 1
1 207 . 8 1 1 A 20 20 HIS CB C 20 31.900 31.547 0.353 1
1 210 . 8 1 1 A 20 20 HIS N N 20 120.000 125.181 -5.181 1
1 211 . 8 1 1 A 21 21 CYS H H 21 8.910 8.152 0.758 1
1 212 . 8 1 1 A 21 21 CYS HA H 21 4.700 4.653 0.047 1
1 215 . 8 1 1 A 21 21 CYS C C 21 176.400 175.297 1.103 1
1 216 . 8 1 1 A 21 21 CYS CA C 21 57.900 57.549 0.351 1
1 217 . 8 1 1 A 21 21 CYS CB C 21 31.700 29.004 2.696 1
1 218 . 8 1 1 A 21 21 CYS N N 21 129.200 127.494 1.706 1
1 219 . 8 1 1 A 22 22 GLU H H 22 9.030 8.587 0.443 1
1 220 . 8 1 1 A 22 22 GLU HA H 22 4.130 4.223 -0.093 1
1 225 . 8 1 1 A 22 22 GLU C C 22 177.400 176.957 0.443 1
1 226 . 8 1 1 A 22 22 GLU CA C 22 58.200 59.349 -1.149 1
1 227 . 8 1 1 A 22 22 GLU CB C 22 29.500 29.910 -0.410 1
1 229 . 8 1 1 A 22 22 GLU N N 22 128.800 127.262 1.538 1
1 230 . 8 1 1 A 23 23 THR H H 23 8.360 7.628 0.732 1
1 231 . 8 1 1 A 23 23 THR HA H 23 3.920 4.213 -0.293 1
1 236 . 8 1 1 A 23 23 THR C C 23 176.500 174.504 1.996 1
1 237 . 8 1 1 A 23 23 THR CA C 23 66.800 62.348 4.452 1
1 238 . 8 1 1 A 23 23 THR CB C 23 69.100 68.721 0.379 1
1 240 . 8 1 1 A 23 23 THR N N 23 119.800 111.139 8.661 1
1 241 . 8 1 1 A 24 24 CYS H H 24 9.570 8.975 0.595 1
1 242 . 8 1 1 A 24 24 CYS HA H 24 3.880 4.174 -0.294 1
1 245 . 8 1 1 A 24 24 CYS C C 24 174.900 174.082 0.818 1
1 246 . 8 1 1 A 24 24 CYS CA C 24 62.000 59.756 2.244 1
1 247 . 8 1 1 A 24 24 CYS CB C 24 30.300 25.336 4.964 1
1 248 . 8 1 1 A 24 24 CYS N N 24 123.600 122.590 1.010 1
1 249 . 8 1 1 A 25 25 ALA H H 25 7.720 8.160 -0.440 1
1 250 . 8 1 1 A 25 25 ALA HA H 25 3.820 4.668 -0.848 1
1 254 . 8 1 1 A 25 25 ALA C C 25 175.400 177.196 -1.796 1
1 255 . 8 1 1 A 25 25 ALA CA C 25 52.500 52.787 -0.287 1
1 256 . 8 1 1 A 25 25 ALA CB C 25 16.000 19.279 -3.279 1
1 257 . 8 1 1 A 25 25 ALA N N 25 121.400 126.563 -5.163 1
1 258 . 8 1 1 A 26 26 LYS H H 26 6.910 8.352 -1.442 1
1 259 . 8 1 1 A 26 26 LYS HA H 26 4.450 4.680 -0.230 1
1 268 . 8 1 1 A 26 26 LYS CA C 26 54.600 54.669 -0.069 1
1 269 . 8 1 1 A 26 26 LYS CB C 26 37.900 35.419 2.481 1
1 273 . 8 1 1 A 26 26 LYS N N 26 116.100 122.867 -6.767 1
1 274 . 8 1 1 A 27 27 ASP HA H 27 5.610 5.134 0.476 1
1 277 . 8 1 1 A 27 27 ASP C C 27 174.400 174.663 -0.263 1
1 278 . 8 1 1 A 27 27 ASP CA C 27 53.000 53.302 -0.302 1
1 279 . 8 1 1 A 27 27 ASP CB C 27 44.200 41.635 2.565 1
1 280 . 8 1 1 A 28 28 PHE H H 28 9.200 9.202 -0.002 1
1 281 . 8 1 1 A 28 28 PHE HA H 28 4.890 5.098 -0.208 1
1 289 . 8 1 1 A 28 28 PHE C C 28 175.500 175.538 -0.038 1
1 290 . 8 1 1 A 28 28 PHE CA C 28 56.800 57.362 -0.562 1
1 291 . 8 1 1 A 28 28 PHE CB C 28 42.900 40.635 2.265 1
1 297 . 8 1 1 A 28 28 PHE N N 28 118.100 124.235 -6.135 1
1 298 . 8 1 1 A 29 29 SER H H 29 9.070 8.697 0.373 1
1 299 . 8 1 1 A 29 29 SER HA H 29 4.750 4.882 -0.132 1
1 302 . 8 1 1 A 29 29 SER C C 29 173.400 174.254 -0.854 1
1 303 . 8 1 1 A 29 29 SER CA C 29 58.400 58.273 0.127 1
1 304 . 8 1 1 A 29 29 SER CB C 29 64.100 63.203 0.897 1
1 305 . 8 1 1 A 29 29 SER N N 29 118.400 119.152 -0.752 1
1 306 . 8 1 1 A 30 30 LEU H H 30 8.180 9.287 -1.107 1
1 307 . 8 1 1 A 30 30 LEU HA H 30 5.200 5.338 -0.138 1
1 317 . 8 1 1 A 30 30 LEU CA C 30 53.100 53.544 -0.444 1
1 318 . 8 1 1 A 30 30 LEU CB C 30 44.800 45.011 -0.211 1
1 322 . 8 1 1 A 30 30 LEU N N 30 122.200 126.488 -4.288 1
1 323 . 8 1 1 A 31 31 GLN HA H 31 4.680 4.811 -0.131 1
1 328 . 8 1 1 A 31 31 GLN C C 31 173.600 174.970 -1.370 1
1 329 . 8 1 1 A 31 31 GLN CA C 31 54.200 53.904 0.296 1
1 330 . 8 1 1 A 31 31 GLN CB C 31 31.800 32.139 -0.339 1
1 332 . 8 1 1 A 32 32 ALA H H 32 8.560 8.162 0.398 1
1 333 . 8 1 1 A 32 32 ALA HA H 32 3.990 3.765 0.225 1
1 337 . 8 1 1 A 32 32 ALA C C 32 175.600 177.064 -1.464 1
1 338 . 8 1 1 A 32 32 ALA CA C 32 50.900 51.663 -0.763 1
1 339 . 8 1 1 A 32 32 ALA CB C 32 20.300 18.522 1.778 1
1 340 . 8 1 1 A 32 32 ALA N N 32 128.100 127.297 0.803 1
1 341 . 8 1 1 A 33 33 LEU H H 33 8.740 9.010 -0.270 1
1 342 . 8 1 1 A 33 33 LEU HA H 33 4.560 5.154 -0.594 1
1 352 . 8 1 1 A 33 33 LEU C C 33 175.400 174.800 0.600 1
1 353 . 8 1 1 A 33 33 LEU CA C 33 52.700 53.220 -0.520 1
1 354 . 8 1 1 A 33 33 LEU CB C 33 44.200 45.783 -1.583 1
1 358 . 8 1 1 A 33 33 LEU N N 33 124.500 124.352 0.148 1
1 359 . 8 1 1 A 34 34 CYS H H 34 8.260 8.716 -0.456 1
1 360 . 8 1 1 A 34 34 CYS HA H 34 4.270 4.775 -0.505 1
1 363 . 8 1 1 A 34 34 CYS CA C 34 56.900 56.121 0.779 1
1 364 . 8 1 1 A 34 34 CYS CB C 34 31.400 29.373 2.027 1
1 365 . 8 1 1 A 34 34 CYS N N 34 123.600 123.942 -0.342 1
1 366 . 8 1 1 A 35 35 PRO HA H 35 4.290 4.615 -0.325 1
1 373 . 8 1 1 A 35 35 PRO C C 35 176.100 175.555 0.545 1
1 374 . 8 1 1 A 35 35 PRO CA C 35 63.700 62.593 1.107 1
1 375 . 8 1 1 A 35 35 PRO CB C 35 31.600 29.335 2.265 1
1 378 . 8 1 1 A 36 36 ASP H H 36 8.980 8.473 0.507 1
1 379 . 8 1 1 A 36 36 ASP HA H 36 4.600 4.879 -0.279 1
1 382 . 8 1 1 A 36 36 ASP C C 36 176.500 176.594 -0.094 1
1 383 . 8 1 1 A 36 36 ASP CA C 36 56.400 55.616 0.784 1
1 384 . 8 1 1 A 36 36 ASP CB C 36 40.100 41.817 -1.717 1
1 385 . 8 1 1 A 36 36 ASP N N 36 122.200 121.907 0.293 1
1 386 . 8 1 1 A 37 37 CYS H H 37 7.840 8.215 -0.375 1
1 387 . 8 1 1 A 37 37 CYS HA H 37 5.000 4.505 0.495 1
1 390 . 8 1 1 A 37 37 CYS C C 37 175.400 174.879 0.521 1
1 391 . 8 1 1 A 37 37 CYS CA C 37 58.400 59.445 -1.045 1
1 392 . 8 1 1 A 37 37 CYS CB C 37 32.300 28.864 3.436 1
1 393 . 8 1 1 A 37 37 CYS N N 37 116.000 117.075 -1.075 1
1 394 . 8 1 1 A 38 38 ARG H H 38 7.880 7.767 0.113 1
1 395 . 8 1 1 A 38 38 ARG HA H 38 4.050 4.112 -0.062 1
1 402 . 8 1 1 A 38 38 ARG C C 38 173.700 174.860 -1.160 1
1 403 . 8 1 1 A 38 38 ARG CA C 38 58.100 57.235 0.865 1
1 404 . 8 1 1 A 38 38 ARG CB C 38 27.400 29.140 -1.740 1
1 407 . 8 1 1 A 38 38 ARG N N 38 117.700 120.538 -2.838 1
1 408 . 8 1 1 A 39 39 GLN H H 39 7.720 7.995 -0.275 1
1 409 . 8 1 1 A 39 39 GLN HA H 39 4.710 4.490 0.220 1
1 414 . 8 1 1 A 39 39 GLN CA C 39 53.900 54.349 -0.449 1
1 415 . 8 1 1 A 39 39 GLN CB C 39 28.100 27.500 0.600 1
1 417 . 8 1 1 A 39 39 GLN N N 39 117.500 119.177 -1.677 1
1 418 . 8 1 1 A 40 40 PRO HA H 40 4.570 4.510 0.060 1
1 425 . 8 1 1 A 40 40 PRO C C 40 176.600 177.393 -0.793 1
1 426 . 8 1 1 A 40 40 PRO CA C 40 63.700 63.404 0.296 1
1 427 . 8 1 1 A 40 40 PRO CB C 40 31.900 32.233 -0.333 1
1 430 . 8 1 1 A 41 41 LEU H H 41 8.170 8.130 0.040 1
1 431 . 8 1 1 A 41 41 LEU HA H 41 4.460 4.269 0.191 1
1 441 . 8 1 1 A 41 41 LEU C C 41 177.200 175.419 1.781 1
1 442 . 8 1 1 A 41 41 LEU CA C 41 54.000 57.110 -3.110 1
1 443 . 8 1 1 A 41 41 LEU CB C 41 43.200 40.905 2.295 1
1 447 . 8 1 1 A 41 41 LEU N N 41 124.100 119.740 4.360 1
1 448 . 8 1 1 A 42 42 GLN H H 42 9.240 8.478 0.762 1
1 449 . 8 1 1 A 42 42 GLN HA H 42 4.490 4.816 -0.326 1
1 454 . 8 1 1 A 42 42 GLN C C 42 175.000 174.772 0.228 1
1 455 . 8 1 1 A 42 42 GLN CA C 42 55.300 54.027 1.273 1
1 456 . 8 1 1 A 42 42 GLN CB C 42 29.600 31.162 -1.562 1
1 458 . 8 1 1 A 42 42 GLN N N 42 122.100 120.752 1.348 1
1 459 . 8 1 1 A 43 43 VAL H H 43 8.600 8.547 0.053 1
1 460 . 8 1 1 A 43 43 VAL HA H 43 4.260 3.540 0.720 1
1 468 . 8 1 1 A 43 43 VAL C C 43 175.500 175.336 0.164 1
1 469 . 8 1 1 A 43 43 VAL CA C 43 62.100 62.846 -0.746 1
1 470 . 8 1 1 A 43 43 VAL CB C 43 32.000 31.156 0.844 1
1 473 . 8 1 1 A 43 43 VAL N N 43 126.400 127.146 -0.746 1
1 474 . 8 1 1 A 44 44 LEU H H 44 8.940 9.006 -0.066 1
1 475 . 8 1 1 A 44 44 LEU HA H 44 4.510 4.724 -0.214 1
1 485 . 8 1 1 A 44 44 LEU C C 44 175.500 175.262 0.238 1
1 486 . 8 1 1 A 44 44 LEU CA C 44 53.400 53.511 -0.111 1
1 487 . 8 1 1 A 44 44 LEU CB C 44 42.800 41.717 1.083 1
1 491 . 8 1 1 A 44 44 LEU N N 44 130.200 128.531 1.669 1
1 492 . 8 1 1 A 45 45 LYS H H 45 8.520 8.650 -0.130 1
1 493 . 8 1 1 A 45 45 LYS HA H 45 4.830 4.661 0.169 1
1 502 . 8 1 1 A 45 45 LYS C C 45 175.600 175.943 -0.343 1
1 503 . 8 1 1 A 45 45 LYS CA C 45 55.700 55.535 0.165 1
1 504 . 8 1 1 A 45 45 LYS CB C 45 33.500 33.074 0.426 1
1 508 . 8 1 1 A 45 45 LYS N N 45 123.700 124.382 -0.682 1
1 509 . 8 1 1 A 46 46 ALA H H 46 8.220 8.566 -0.346 1
1 510 . 8 1 1 A 46 46 ALA HA H 46 4.540 4.554 -0.014 1
1 514 . 8 1 1 A 46 46 ALA C C 46 176.900 177.174 -0.274 1
1 515 . 8 1 1 A 46 46 ALA CA C 46 51.900 50.900 1.000 1
1 516 . 8 1 1 A 46 46 ALA CB C 46 20.700 21.216 -0.516 1
1 517 . 8 1 1 A 46 46 ALA N N 46 126.400 128.009 -1.609 1
1 518 . 8 1 1 A 47 47 CYS H H 47 9.200 8.575 0.625 1
1 519 . 8 1 1 A 47 47 CYS HA H 47 4.080 4.031 0.049 1
1 522 . 8 1 1 A 47 47 CYS C C 47 175.100 175.952 -0.852 1
1 523 . 8 1 1 A 47 47 CYS CA C 47 59.700 60.309 -0.609 1
1 524 . 8 1 1 A 47 47 CYS CB C 47 25.800 26.909 -1.109 1
1 525 . 8 1 1 A 47 47 CYS N N 47 120.400 118.626 1.774 1
1 526 . 8 1 1 A 48 48 GLY H H 48 8.620 8.684 -0.064 1
1 527 . 8 1 1 A 48 48 GLY HA2 H 48 3.670 3.894 -0.224 1
1 528 . 8 1 1 A 48 48 GLY HA3 H 48 4.070 3.894 0.176 1
1 529 . 8 1 1 A 48 48 GLY C C 48 173.100 173.395 -0.295 1
1 530 . 8 1 1 A 48 48 GLY CA C 48 45.500 46.012 -0.512 1
1 531 . 8 1 1 A 48 48 GLY N N 48 109.000 113.862 -4.862 1
1 532 . 8 1 1 A 49 49 ALA H H 49 7.820 7.250 0.570 1
1 533 . 8 1 1 A 49 49 ALA HA H 49 4.620 4.890 -0.270 1
1 537 . 8 1 1 A 49 49 ALA C C 49 176.000 174.847 1.153 1
1 538 . 8 1 1 A 49 49 ALA CA C 49 51.000 51.280 -0.280 1
1 539 . 8 1 1 A 49 49 ALA CB C 49 21.300 22.547 -1.247 1
1 540 . 8 1 1 A 49 49 ALA N N 49 124.000 120.836 3.164 1
1 541 . 8 1 1 A 50 50 VAL H H 50 8.100 8.713 -0.613 1
1 542 . 8 1 1 A 50 50 VAL HA H 50 4.560 4.918 -0.358 1
1 550 . 8 1 1 A 50 50 VAL C C 50 174.300 174.344 -0.044 1
1 551 . 8 1 1 A 50 50 VAL CA C 50 61.400 60.195 1.205 1
1 552 . 8 1 1 A 50 50 VAL CB C 50 33.800 34.064 -0.264 1
1 555 . 8 1 1 A 50 50 VAL N N 50 119.600 113.631 5.969 1
1 556 . 8 1 1 A 51 51 ASP H H 51 8.640 8.770 -0.130 1
1 557 . 8 1 1 A 51 51 ASP HA H 51 5.030 5.582 -0.552 1
1 560 . 8 1 1 A 51 51 ASP C C 51 173.000 174.805 -1.805 1
1 561 . 8 1 1 A 51 51 ASP CA C 51 52.000 52.868 -0.868 1
1 562 . 8 1 1 A 51 51 ASP CB C 51 43.900 43.665 0.235 1
1 563 . 8 1 1 A 51 51 ASP N N 51 124.900 127.357 -2.457 1
1 564 . 8 1 1 A 52 52 TYR H H 52 8.950 8.874 0.076 1
1 565 . 8 1 1 A 52 52 TYR HA H 52 5.150 5.021 0.129 1
1 572 . 8 1 1 A 52 52 TYR C C 52 174.500 174.974 -0.474 1
1 573 . 8 1 1 A 52 52 TYR CA C 52 57.300 56.445 0.855 1
1 574 . 8 1 1 A 52 52 TYR CB C 52 41.200 40.055 1.145 1
1 579 . 8 1 1 A 52 52 TYR N N 52 118.500 118.966 -0.466 1
1 580 . 8 1 1 A 53 53 PHE H H 53 9.250 8.149 1.101 1
1 581 . 8 1 1 A 53 53 PHE HA H 53 5.040 5.115 -0.075 1
1 588 . 8 1 1 A 53 53 PHE C C 53 173.200 173.156 0.044 1
1 589 . 8 1 1 A 53 53 PHE CA C 53 56.400 56.096 0.304 1
1 590 . 8 1 1 A 53 53 PHE CB C 53 44.300 41.338 2.962 1
1 595 . 8 1 1 A 53 53 PHE N N 53 123.100 119.847 3.253 1
1 596 . 8 1 1 A 54 54 CYS H H 54 9.160 8.817 0.343 1
1 597 . 8 1 1 A 54 54 CYS HA H 54 4.690 4.626 0.064 1
1 600 . 8 1 1 A 54 54 CYS C C 54 175.700 174.940 0.760 1
1 601 . 8 1 1 A 54 54 CYS CA C 54 58.200 58.888 -0.688 1
1 602 . 8 1 1 A 54 54 CYS CB C 54 29.600 27.135 2.465 1
1 603 . 8 1 1 A 54 54 CYS N N 54 130.800 119.562 11.238 1
1 604 . 8 1 1 A 55 55 GLN H H 55 9.260 8.529 0.731 1
1 605 . 8 1 1 A 55 55 GLN HA H 55 4.300 4.199 0.101 1
1 610 . 8 1 1 A 55 55 GLN C C 55 174.400 175.740 -1.340 1
1 611 . 8 1 1 A 55 55 GLN CA C 55 56.900 59.092 -2.192 1
1 612 . 8 1 1 A 55 55 GLN CB C 55 28.900 29.237 -0.337 1
1 614 . 8 1 1 A 55 55 GLN N N 55 129.000 125.752 3.248 1
1 615 . 8 1 1 A 56 56 ASN H H 56 9.100 8.345 0.755 1
1 616 . 8 1 1 A 56 56 ASN HA H 56 4.860 5.104 -0.244 1
1 619 . 8 1 1 A 56 56 ASN C C 56 174.100 176.269 -2.169 1
1 620 . 8 1 1 A 56 56 ASN CA C 56 52.100 51.745 0.355 1
1 621 . 8 1 1 A 56 56 ASN CB C 56 39.500 41.300 -1.800 1
1 622 . 8 1 1 A 56 56 ASN N N 56 122.300 116.391 5.909 1
1 623 . 8 1 1 A 57 57 GLY H H 57 7.180 8.679 -1.499 1
1 624 . 8 1 1 A 57 57 GLY HA2 H 57 3.450 4.021 -0.571 1
1 625 . 8 1 1 A 57 57 GLY HA3 H 57 4.000 4.032 -0.032 1
1 626 . 8 1 1 A 57 57 GLY C C 57 175.800 174.019 1.781 1
1 627 . 8 1 1 A 57 57 GLY CA C 57 45.100 45.908 -0.808 1
1 628 . 8 1 1 A 57 57 GLY N N 57 104.200 112.116 -7.916 1
1 629 . 8 1 1 A 58 58 HIS H H 58 7.380 7.906 -0.526 1
1 630 . 8 1 1 A 58 58 HIS HA H 58 4.620 4.804 -0.184 1
1 633 . 8 1 1 A 58 58 HIS C C 58 174.100 175.215 -1.115 1
1 634 . 8 1 1 A 58 58 HIS CA C 58 59.600 57.126 2.474 1
1 635 . 8 1 1 A 58 58 HIS CB C 58 30.100 31.584 -1.484 1
1 636 . 8 1 1 A 58 58 HIS N N 58 116.000 119.463 -3.463 1
1 637 . 8 1 1 A 59 59 GLY H H 59 7.610 7.070 0.540 1
1 638 . 8 1 1 A 59 59 GLY HA2 H 59 2.930 3.982 -1.052 1
1 639 . 8 1 1 A 59 59 GLY HA3 H 59 3.700 4.003 -0.303 1
1 640 . 8 1 1 A 59 59 GLY C C 59 173.100 172.492 0.608 1
1 641 . 8 1 1 A 59 59 GLY CA C 59 45.500 44.269 1.231 1
1 642 . 8 1 1 A 59 59 GLY N N 59 108.000 105.390 2.610 1
1 643 . 8 1 1 A 60 60 LEU H H 60 8.450 8.208 0.242 1
1 644 . 8 1 1 A 60 60 LEU HA H 60 4.620 4.157 0.463 1
1 654 . 8 1 1 A 60 60 LEU C C 60 176.800 175.518 1.282 1
1 655 . 8 1 1 A 60 60 LEU CA C 60 55.700 55.648 0.052 1
1 656 . 8 1 1 A 60 60 LEU CB C 60 42.200 42.707 -0.507 1
1 660 . 8 1 1 A 60 60 LEU N N 60 124.300 120.994 3.306 1
1 661 . 8 1 1 A 61 61 ILE H H 61 8.740 8.394 0.346 1
1 662 . 8 1 1 A 61 61 ILE HA H 61 4.200 4.543 -0.343 1
1 672 . 8 1 1 A 61 61 ILE C C 61 175.500 175.725 -0.225 1
1 673 . 8 1 1 A 61 61 ILE CA C 61 57.000 59.507 -2.507 1
1 674 . 8 1 1 A 61 61 ILE CB C 61 37.400 40.959 -3.559 1
1 678 . 8 1 1 A 61 61 ILE N N 61 128.500 128.500 0.000 1
1 679 . 8 1 1 A 62 62 SER H H 62 8.490 8.467 0.023 1
1 680 . 8 1 1 A 62 62 SER HA H 62 4.380 4.347 0.033 1
1 683 . 8 1 1 A 62 62 SER C C 62 176.500 176.017 0.483 1
1 684 . 8 1 1 A 62 62 SER CA C 62 58.300 60.384 -2.084 1
1 685 . 8 1 1 A 62 62 SER CB C 62 63.500 63.326 0.174 1
1 686 . 8 1 1 A 62 62 SER N N 62 121.700 121.444 0.256 1
1 687 . 8 1 1 A 63 63 LYS H H 63 9.040 8.575 0.465 1
1 688 . 8 1 1 A 63 63 LYS HA H 63 3.910 4.125 -0.215 1
1 697 . 8 1 1 A 63 63 LYS C C 63 178.200 178.336 -0.136 1
1 698 . 8 1 1 A 63 63 LYS CA C 63 60.300 58.562 1.738 1
1 699 . 8 1 1 A 63 63 LYS CB C 63 32.000 32.075 -0.075 1
1 703 . 8 1 1 A 63 63 LYS N N 63 126.000 125.035 0.965 1
1 704 . 8 1 1 A 64 64 LYS H H 64 8.090 7.926 0.164 1
1 705 . 8 1 1 A 64 64 LYS HA H 64 4.190 4.194 -0.004 1
1 714 . 8 1 1 A 64 64 LYS C C 64 177.000 178.108 -1.108 1
1 715 . 8 1 1 A 64 64 LYS CA C 64 58.000 59.396 -1.396 1
1 716 . 8 1 1 A 64 64 LYS CB C 64 32.300 32.653 -0.353 1
1 720 . 8 1 1 A 64 64 LYS N N 64 115.400 118.379 -2.979 1
1 721 . 8 1 1 A 65 65 ARG H H 65 7.960 7.677 0.283 1
1 722 . 8 1 1 A 65 65 ARG HA H 65 4.280 4.509 -0.229 1
1 729 . 8 1 1 A 65 65 ARG C C 65 176.000 176.231 -0.231 1
1 730 . 8 1 1 A 65 65 ARG CA C 65 55.900 55.353 0.547 1
1 731 . 8 1 1 A 65 65 ARG CB C 65 32.000 31.171 0.829 1
1 734 . 8 1 1 A 65 65 ARG N N 65 116.600 116.782 -0.182 1
1 735 . 8 1 1 A 66 66 VAL H H 66 6.810 7.009 -0.199 1
1 736 . 8 1 1 A 66 66 VAL HA H 66 2.800 3.953 -1.153 1
1 744 . 8 1 1 A 66 66 VAL C C 66 174.500 175.552 -1.052 1
1 745 . 8 1 1 A 66 66 VAL CA C 66 65.000 62.943 2.057 1
1 746 . 8 1 1 A 66 66 VAL CB C 66 32.000 32.074 -0.074 1
1 749 . 8 1 1 A 66 66 VAL N N 66 119.600 121.009 -1.409 1
1 750 . 8 1 1 A 67 67 ASN H H 67 7.270 8.403 -1.133 1
1 751 . 8 1 1 A 67 67 ASN HA H 67 4.840 4.923 -0.083 1
1 756 . 8 1 1 A 67 67 ASN C C 67 173.200 173.804 -0.604 1
1 757 . 8 1 1 A 67 67 ASN CA C 67 51.200 52.044 -0.844 1
1 758 . 8 1 1 A 67 67 ASN CB C 67 39.100 38.187 0.913 1
1 759 . 8 1 1 A 67 67 ASN N N 67 123.500 126.631 -3.131 1
1 761 . 8 1 1 A 68 68 PHE H H 68 8.180 8.757 -0.577 1
1 762 . 8 1 1 A 68 68 PHE HA H 68 5.170 4.885 0.285 1
1 770 . 8 1 1 A 68 68 PHE C C 68 175.300 175.515 -0.215 1
1 771 . 8 1 1 A 68 68 PHE CA C 68 58.000 58.256 -0.256 1
1 772 . 8 1 1 A 68 68 PHE CB C 68 41.100 38.651 2.449 1
1 778 . 8 1 1 A 68 68 PHE N N 68 123.300 126.360 -3.060 1
1 779 . 8 1 1 A 69 69 VAL H H 69 8.660 8.901 -0.241 1
1 780 . 8 1 1 A 69 69 VAL HA H 69 4.520 4.850 -0.330 1
1 788 . 8 1 1 A 69 69 VAL C C 69 175.100 175.445 -0.345 1
1 789 . 8 1 1 A 69 69 VAL CA C 69 59.200 60.292 -1.092 1
1 790 . 8 1 1 A 69 69 VAL CB C 69 35.100 33.542 1.558 1
1 793 . 8 1 1 A 69 69 VAL N N 69 116.500 119.547 -3.047 1
1 794 . 8 1 1 A 70 70 ILE H H 70 8.480 8.639 -0.159 1
1 795 . 8 1 1 A 70 70 ILE HA H 70 4.350 4.559 -0.209 1
1 805 . 8 1 1 A 70 70 ILE C C 70 176.400 174.932 1.468 1
1 806 . 8 1 1 A 70 70 ILE CA C 70 61.300 61.096 0.204 1
1 807 . 8 1 1 A 70 70 ILE CB C 70 38.200 37.922 0.278 1
1 811 . 8 1 1 A 70 70 ILE N N 70 123.100 123.474 -0.374 1
1 812 . 8 1 1 A 71 71 SER H H 71 8.770 9.445 -0.675 1
1 813 . 8 1 1 A 71 71 SER HA H 71 4.550 4.573 -0.023 1
1 816 . 8 1 1 A 71 71 SER C C 71 174.200 173.951 0.249 1
1 817 . 8 1 1 A 71 71 SER CA C 71 57.700 57.425 0.275 1
1 818 . 8 1 1 A 71 71 SER CB C 71 64.100 62.452 1.648 1
1 819 . 8 1 1 A 71 71 SER N N 71 122.200 123.620 -1.420 1
1 820 . 8 1 1 A 72 72 ASP H H 72 8.470 8.850 -0.380 1
1 821 . 8 1 1 A 72 72 ASP HA H 72 4.720 4.525 0.195 1
1 824 . 8 1 1 A 72 72 ASP C C 72 176.100 175.968 0.132 1
1 825 . 8 1 1 A 72 72 ASP CA C 72 54.200 56.942 -2.742 1
1 826 . 8 1 1 A 72 72 ASP CB C 72 41.200 41.430 -0.230 1
1 827 . 8 1 1 A 72 72 ASP N N 72 122.700 128.191 -5.491 1
1 828 . 8 1 1 A 73 73 GLN H H 73 8.490 7.893 0.597 1
1 829 . 8 1 1 A 73 73 GLN HA H 73 4.310 4.627 -0.317 1
1 834 . 8 1 1 A 73 73 GLN C C 73 176.000 174.708 1.292 1
1 835 . 8 1 1 A 73 73 GLN CA C 73 56.100 54.768 1.332 1
1 836 . 8 1 1 A 73 73 GLN CB C 73 29.200 29.789 -0.589 1
1 838 . 8 1 1 A 73 73 GLN N N 73 120.300 115.293 5.007 1
1 839 . 8 1 1 A 74 74 LEU H H 74 8.250 8.764 -0.514 1
1 840 . 8 1 1 A 74 74 LEU HA H 74 4.250 4.616 -0.366 1
1 850 . 8 1 1 A 74 74 LEU C C 74 177.100 177.902 -0.802 1
1 851 . 8 1 1 A 74 74 LEU CA C 74 55.200 54.260 0.940 1
1 852 . 8 1 1 A 74 74 LEU CB C 74 42.100 42.309 -0.209 1
1 856 . 8 1 1 A 74 74 LEU N N 74 123.000 125.761 -2.761 1
1 857 . 8 1 1 A 75 75 GLU H H 75 8.260 9.117 -0.857 1
1 858 . 8 1 1 A 75 75 GLU HA H 75 4.170 4.387 -0.217 1
1 863 . 8 1 1 A 75 75 GLU C C 75 176.200 176.962 -0.762 1
1 864 . 8 1 1 A 75 75 GLU CA C 75 56.300 58.099 -1.799 1
1 865 . 8 1 1 A 75 75 GLU CB C 75 29.800 29.646 0.154 1
1 867 . 8 1 1 A 75 75 GLU N N 75 120.700 122.182 -1.482 1
1 868 . 8 1 1 A 76 76 HIS H H 76 8.480 7.998 0.482 1
1 869 . 8 1 1 A 76 76 HIS HA H 76 4.610 4.685 -0.075 1
1 872 . 8 1 1 A 76 76 HIS C C 76 174.200 175.024 -0.824 1
1 873 . 8 1 1 A 76 76 HIS CA C 76 55.100 56.512 -1.412 1
1 874 . 8 1 1 A 76 76 HIS CB C 76 28.700 29.982 -1.282 1
1 875 . 8 1 1 A 76 76 HIS N N 76 119.100 119.662 -0.562 1
1 876 . 8 1 1 A 77 77 HIS H H 77 8.540 7.514 1.026 1
1 877 . 8 1 1 A 77 77 HIS HA H 77 4.620 4.305 0.315 1
1 880 . 8 1 1 A 77 77 HIS C C 77 174.100 174.524 -0.424 1
1 881 . 8 1 1 A 77 77 HIS CA C 77 55.300 57.908 -2.608 1
1 882 . 8 1 1 A 77 77 HIS CB C 77 28.900 30.828 -1.928 1
1 883 . 8 1 1 A 77 77 HIS N N 77 118.700 120.184 -1.484 1
1 884 . 8 1 1 A 78 78 HIS H H 78 8.630 8.240 0.390 1
1 885 . 8 1 1 A 78 78 HIS HA H 78 4.660 4.513 0.147 1
1 888 . 8 1 1 A 78 78 HIS C C 78 174.100 174.422 -0.322 1
1 889 . 8 1 1 A 78 78 HIS CA C 78 55.200 54.448 0.752 1
1 890 . 8 1 1 A 78 78 HIS CB C 78 29.100 28.779 0.321 1
1 891 . 8 1 1 A 78 78 HIS N N 78 119.500 125.483 -5.983 1
1 892 . 8 1 1 A 79 79 HIS H H 79 8.690 8.901 -0.211 1
1 893 . 8 1 1 A 79 79 HIS HA H 79 4.660 4.463 0.197 1
1 896 . 8 1 1 A 79 79 HIS C C 79 173.900 174.493 -0.593 1
1 897 . 8 1 1 A 79 79 HIS CA C 79 55.200 58.326 -3.126 1
1 898 . 8 1 1 A 79 79 HIS CB C 79 29.100 31.573 -2.473 1
1 899 . 8 1 1 A 79 79 HIS N N 79 120.400 126.029 -5.629 1
1 900 . 8 1 1 A 80 80 HIS H H 80 8.590 7.600 0.990 1
1 901 . 8 1 1 A 80 80 HIS HA H 80 4.630 4.587 0.043 1
1 904 . 8 1 1 A 80 80 HIS C C 80 173.400 172.339 1.061 1
1 905 . 8 1 1 A 80 80 HIS CA C 80 55.400 55.770 -0.370 1
1 906 . 8 1 1 A 80 80 HIS CB C 80 29.300 32.813 -3.513 1
1 907 . 8 1 1 A 80 80 HIS N N 80 120.600 116.196 4.404 1
1 7 . 9 1 1 A 2 2 GLU H H 2 8.850 7.861 0.989 1
1 8 . 9 1 1 A 2 2 GLU HA H 2 4.450 4.618 -0.168 1
1 13 . 9 1 1 A 2 2 GLU C C 2 175.400 176.848 -1.448 1
1 14 . 9 1 1 A 2 2 GLU CA C 2 55.900 55.340 0.560 1
1 15 . 9 1 1 A 2 2 GLU CB C 2 30.300 31.913 -1.613 1
1 17 . 9 1 1 A 2 2 GLU N N 2 123.600 121.017 2.583 1
1 18 . 9 1 1 A 3 3 ILE H H 3 8.590 8.910 -0.320 1
1 19 . 9 1 1 A 3 3 ILE HA H 3 4.310 3.832 0.478 1
1 29 . 9 1 1 A 3 3 ILE C C 3 175.100 176.204 -1.104 1
1 30 . 9 1 1 A 3 3 ILE CA C 3 60.700 64.993 -4.293 1
1 31 . 9 1 1 A 3 3 ILE CB C 3 39.500 38.225 1.275 1
1 35 . 9 1 1 A 3 3 ILE N N 3 122.100 126.321 -4.221 1
1 36 . 9 1 1 A 4 4 THR H H 4 8.130 8.016 0.114 1
1 37 . 9 1 1 A 4 4 THR HA H 4 4.540 4.382 0.158 1
1 42 . 9 1 1 A 4 4 THR C C 4 173.000 172.927 0.073 1
1 43 . 9 1 1 A 4 4 THR CA C 4 59.700 62.940 -3.240 1
1 44 . 9 1 1 A 4 4 THR CB C 4 71.400 67.867 3.533 1
1 46 . 9 1 1 A 4 4 THR N N 4 116.800 112.800 4.000 1
1 47 . 9 1 1 A 5 5 CYS H H 5 8.700 8.145 0.555 1
1 48 . 9 1 1 A 5 5 CYS HA H 5 3.960 4.452 -0.492 1
1 51 . 9 1 1 A 5 5 CYS CA C 5 56.800 56.861 -0.061 1
1 52 . 9 1 1 A 5 5 CYS CB C 5 32.000 28.864 3.136 1
1 53 . 9 1 1 A 5 5 CYS N N 5 125.600 124.684 0.916 1
1 54 . 9 1 1 A 6 6 PRO HA H 6 4.260 4.368 -0.108 1
1 61 . 9 1 1 A 6 6 PRO C C 6 176.000 177.245 -1.245 1
1 62 . 9 1 1 A 6 6 PRO CA C 6 63.900 64.456 -0.556 1
1 63 . 9 1 1 A 6 6 PRO CB C 6 32.100 31.922 0.178 1
1 66 . 9 1 1 A 7 7 VAL H H 7 9.210 8.334 0.876 1
1 67 . 9 1 1 A 7 7 VAL HA H 7 3.820 4.138 -0.318 1
1 75 . 9 1 1 A 7 7 VAL CA C 7 64.900 61.577 3.323 1
1 76 . 9 1 1 A 7 7 VAL CB C 7 32.200 31.843 0.357 1
1 79 . 9 1 1 A 7 7 VAL N N 7 122.500 114.883 7.617 1
1 80 . 9 1 1 A 8 8 CYS HA H 8 4.560 4.575 -0.015 1
1 83 . 9 1 1 A 8 8 CYS C C 8 176.800 175.044 1.756 1
1 84 . 9 1 1 A 8 8 CYS CA C 8 58.900 59.277 -0.377 1
1 85 . 9 1 1 A 8 8 CYS CB C 8 32.000 30.200 1.800 1
1 86 . 9 1 1 A 9 9 HIS H H 9 7.550 8.365 -0.815 1
1 87 . 9 1 1 A 9 9 HIS HA H 9 4.470 4.079 0.391 1
1 91 . 9 1 1 A 9 9 HIS CA C 9 56.900 56.776 0.124 1
1 92 . 9 1 1 A 9 9 HIS CB C 9 25.900 28.899 -2.999 1
1 94 . 9 1 1 A 9 9 HIS N N 9 115.000 118.850 -3.850 1
1 95 . 9 1 1 A 10 10 HIS HA H 10 4.790 4.502 0.288 1
1 100 . 9 1 1 A 10 10 HIS C C 10 174.700 175.032 -0.332 1
1 101 . 9 1 1 A 10 10 HIS CA C 10 55.700 55.904 -0.204 1
1 102 . 9 1 1 A 10 10 HIS CB C 10 29.800 31.321 -1.521 1
1 105 . 9 1 1 A 11 11 ALA H H 11 8.790 8.589 0.201 1
1 106 . 9 1 1 A 11 11 ALA HA H 11 4.310 4.991 -0.681 1
1 110 . 9 1 1 A 11 11 ALA C C 11 177.800 177.169 0.631 1
1 111 . 9 1 1 A 11 11 ALA CA C 11 53.400 51.570 1.830 1
1 112 . 9 1 1 A 11 11 ALA CB C 11 18.600 19.381 -0.781 1
1 113 . 9 1 1 A 11 11 ALA N N 11 124.500 124.618 -0.118 1
1 114 . 9 1 1 A 12 12 LEU H H 12 8.480 8.414 0.066 1
1 115 . 9 1 1 A 12 12 LEU HA H 12 4.640 4.335 0.305 1
1 125 . 9 1 1 A 12 12 LEU C C 12 176.900 176.629 0.271 1
1 126 . 9 1 1 A 12 12 LEU CA C 12 53.500 55.056 -1.556 1
1 127 . 9 1 1 A 12 12 LEU CB C 12 44.100 41.434 2.666 1
1 131 . 9 1 1 A 12 12 LEU N N 12 121.200 123.701 -2.501 1
1 132 . 9 1 1 A 13 13 GLU H H 13 8.600 8.562 0.038 1
1 133 . 9 1 1 A 13 13 GLU HA H 13 4.590 4.564 0.026 1
1 138 . 9 1 1 A 13 13 GLU C C 13 175.700 175.965 -0.265 1
1 139 . 9 1 1 A 13 13 GLU CA C 13 54.700 56.288 -1.588 1
1 140 . 9 1 1 A 13 13 GLU CB C 13 30.200 29.617 0.583 1
1 142 . 9 1 1 A 13 13 GLU N N 13 120.300 125.899 -5.599 1
1 143 . 9 1 1 A 14 14 ARG H H 14 9.010 8.215 0.795 1
1 144 . 9 1 1 A 14 14 ARG HA H 14 4.460 5.021 -0.561 1
1 151 . 9 1 1 A 14 14 ARG C C 14 174.900 176.510 -1.610 1
1 152 . 9 1 1 A 14 14 ARG CA C 14 56.400 55.254 1.146 1
1 153 . 9 1 1 A 14 14 ARG CB C 14 31.800 31.878 -0.078 1
1 156 . 9 1 1 A 14 14 ARG N N 14 126.500 125.197 1.303 1
1 157 . 9 1 1 A 15 15 ASN H H 15 8.670 9.394 -0.724 1
1 158 . 9 1 1 A 15 15 ASN HA H 15 4.850 4.878 -0.028 1
1 161 . 9 1 1 A 15 15 ASN C C 15 174.900 175.054 -0.154 1
1 162 . 9 1 1 A 15 15 ASN CA C 15 52.100 53.025 -0.925 1
1 163 . 9 1 1 A 15 15 ASN CB C 15 39.200 39.204 -0.004 1
1 164 . 9 1 1 A 15 15 ASN N N 15 125.100 118.313 6.787 1
1 165 . 9 1 1 A 16 16 GLY H H 16 8.880 7.788 1.092 1
1 166 . 9 1 1 A 16 16 GLY HA2 H 16 3.570 3.840 -0.270 1
1 167 . 9 1 1 A 16 16 GLY HA3 H 16 4.000 3.885 0.115 1
1 168 . 9 1 1 A 16 16 GLY C C 16 173.700 174.049 -0.349 1
1 169 . 9 1 1 A 16 16 GLY CA C 16 47.200 45.288 1.912 1
1 170 . 9 1 1 A 16 16 GLY N N 16 114.400 106.624 7.776 1
1 171 . 9 1 1 A 17 17 ASP H H 17 8.600 8.343 0.257 1
1 172 . 9 1 1 A 17 17 ASP HA H 17 4.600 4.266 0.334 1
1 175 . 9 1 1 A 17 17 ASP C C 17 174.800 176.062 -1.262 1
1 176 . 9 1 1 A 17 17 ASP CA C 17 53.800 55.751 -1.951 1
1 177 . 9 1 1 A 17 17 ASP CB C 17 40.200 41.281 -1.081 1
1 178 . 9 1 1 A 17 17 ASP N N 17 126.400 120.226 6.174 1
1 179 . 9 1 1 A 18 18 THR H H 18 7.710 7.703 0.007 1
1 180 . 9 1 1 A 18 18 THR HA H 18 5.120 4.909 0.211 1
1 185 . 9 1 1 A 18 18 THR C C 18 171.900 173.475 -1.575 1
1 186 . 9 1 1 A 18 18 THR CA C 18 60.400 59.775 0.625 1
1 187 . 9 1 1 A 18 18 THR CB C 18 72.300 71.637 0.663 1
1 189 . 9 1 1 A 18 18 THR N N 18 112.300 109.891 2.409 1
1 190 . 9 1 1 A 19 19 ALA H H 19 9.090 9.052 0.038 1
1 191 . 9 1 1 A 19 19 ALA HA H 19 5.250 5.303 -0.053 1
1 195 . 9 1 1 A 19 19 ALA C C 19 175.000 175.034 -0.034 1
1 196 . 9 1 1 A 19 19 ALA CA C 19 50.300 50.492 -0.192 1
1 197 . 9 1 1 A 19 19 ALA CB C 19 23.900 22.139 1.761 1
1 198 . 9 1 1 A 19 19 ALA N N 19 123.300 124.288 -0.988 1
1 199 . 9 1 1 A 20 20 HIS H H 20 9.130 9.557 -0.427 1
1 200 . 9 1 1 A 20 20 HIS HA H 20 5.550 5.406 0.144 1
1 205 . 9 1 1 A 20 20 HIS C C 20 173.100 173.493 -0.393 1
1 206 . 9 1 1 A 20 20 HIS CA C 20 54.700 54.441 0.259 1
1 207 . 9 1 1 A 20 20 HIS CB C 20 31.900 32.627 -0.727 1
1 210 . 9 1 1 A 20 20 HIS N N 20 120.000 123.078 -3.078 1
1 211 . 9 1 1 A 21 21 CYS H H 21 8.910 8.376 0.534 1
1 212 . 9 1 1 A 21 21 CYS HA H 21 4.700 4.604 0.096 1
1 215 . 9 1 1 A 21 21 CYS C C 21 176.400 175.803 0.597 1
1 216 . 9 1 1 A 21 21 CYS CA C 21 57.900 57.823 0.077 1
1 217 . 9 1 1 A 21 21 CYS CB C 21 31.700 29.148 2.552 1
1 218 . 9 1 1 A 21 21 CYS N N 21 129.200 127.671 1.529 1
1 219 . 9 1 1 A 22 22 GLU H H 22 9.030 8.805 0.225 1
1 220 . 9 1 1 A 22 22 GLU HA H 22 4.130 4.217 -0.087 1
1 225 . 9 1 1 A 22 22 GLU C C 22 177.400 177.074 0.326 1
1 226 . 9 1 1 A 22 22 GLU CA C 22 58.200 58.963 -0.763 1
1 227 . 9 1 1 A 22 22 GLU CB C 22 29.500 29.202 0.298 1
1 229 . 9 1 1 A 22 22 GLU N N 22 128.800 125.828 2.972 1
1 230 . 9 1 1 A 23 23 THR H H 23 8.360 7.773 0.587 1
1 231 . 9 1 1 A 23 23 THR HA H 23 3.920 4.478 -0.558 1
1 236 . 9 1 1 A 23 23 THR C C 23 176.500 174.094 2.406 1
1 237 . 9 1 1 A 23 23 THR CA C 23 66.800 60.764 6.036 1
1 238 . 9 1 1 A 23 23 THR CB C 23 69.100 68.736 0.364 1
1 240 . 9 1 1 A 23 23 THR N N 23 119.800 110.443 9.357 1
1 241 . 9 1 1 A 24 24 CYS H H 24 9.570 7.910 1.660 1
1 242 . 9 1 1 A 24 24 CYS HA H 24 3.880 4.621 -0.741 1
1 245 . 9 1 1 A 24 24 CYS C C 24 174.900 174.488 0.412 1
1 246 . 9 1 1 A 24 24 CYS CA C 24 62.000 59.453 2.547 1
1 247 . 9 1 1 A 24 24 CYS CB C 24 30.300 30.239 0.061 1
1 248 . 9 1 1 A 24 24 CYS N N 24 123.600 119.307 4.293 1
1 249 . 9 1 1 A 25 25 ALA H H 25 7.720 7.709 0.011 1
1 250 . 9 1 1 A 25 25 ALA HA H 25 3.820 3.911 -0.091 1
1 254 . 9 1 1 A 25 25 ALA C C 25 175.400 175.319 0.081 1
1 255 . 9 1 1 A 25 25 ALA CA C 25 52.500 53.487 -0.987 1
1 256 . 9 1 1 A 25 25 ALA CB C 25 16.000 17.905 -1.905 1
1 257 . 9 1 1 A 25 25 ALA N N 25 121.400 122.274 -0.874 1
1 258 . 9 1 1 A 26 26 LYS H H 26 6.910 7.375 -0.465 1
1 259 . 9 1 1 A 26 26 LYS HA H 26 4.450 4.636 -0.186 1
1 268 . 9 1 1 A 26 26 LYS CA C 26 54.600 54.546 0.054 1
1 269 . 9 1 1 A 26 26 LYS CB C 26 37.900 34.456 3.444 1
1 273 . 9 1 1 A 26 26 LYS N N 26 116.100 117.063 -0.963 1
1 274 . 9 1 1 A 27 27 ASP HA H 27 5.610 5.327 0.283 1
1 277 . 9 1 1 A 27 27 ASP C C 27 174.400 175.083 -0.683 1
1 278 . 9 1 1 A 27 27 ASP CA C 27 53.000 52.630 0.370 1
1 279 . 9 1 1 A 27 27 ASP CB C 27 44.200 42.809 1.391 1
1 280 . 9 1 1 A 28 28 PHE H H 28 9.200 9.620 -0.420 1
1 281 . 9 1 1 A 28 28 PHE HA H 28 4.890 5.060 -0.170 1
1 289 . 9 1 1 A 28 28 PHE C C 28 175.500 174.602 0.898 1
1 290 . 9 1 1 A 28 28 PHE CA C 28 56.800 57.248 -0.448 1
1 291 . 9 1 1 A 28 28 PHE CB C 28 42.900 40.855 2.045 1
1 297 . 9 1 1 A 28 28 PHE N N 28 118.100 122.751 -4.651 1
1 298 . 9 1 1 A 29 29 SER H H 29 9.070 8.974 0.096 1
1 299 . 9 1 1 A 29 29 SER HA H 29 4.750 4.977 -0.227 1
1 302 . 9 1 1 A 29 29 SER C C 29 173.400 173.909 -0.509 1
1 303 . 9 1 1 A 29 29 SER CA C 29 58.400 56.729 1.671 1
1 304 . 9 1 1 A 29 29 SER CB C 29 64.100 64.231 -0.131 1
1 305 . 9 1 1 A 29 29 SER N N 29 118.400 119.116 -0.716 1
1 306 . 9 1 1 A 30 30 LEU H H 30 8.180 9.040 -0.860 1
1 307 . 9 1 1 A 30 30 LEU HA H 30 5.200 5.112 0.088 1
1 317 . 9 1 1 A 30 30 LEU CA C 30 53.100 53.405 -0.305 1
1 318 . 9 1 1 A 30 30 LEU CB C 30 44.800 44.380 0.420 1
1 322 . 9 1 1 A 30 30 LEU N N 30 122.200 128.915 -6.715 1
1 323 . 9 1 1 A 31 31 GLN HA H 31 4.680 4.864 -0.184 1
1 328 . 9 1 1 A 31 31 GLN C C 31 173.600 175.196 -1.596 1
1 329 . 9 1 1 A 31 31 GLN CA C 31 54.200 54.125 0.075 1
1 330 . 9 1 1 A 31 31 GLN CB C 31 31.800 31.376 0.424 1
1 332 . 9 1 1 A 32 32 ALA H H 32 8.560 8.693 -0.133 1
1 333 . 9 1 1 A 32 32 ALA HA H 32 3.990 4.136 -0.146 1
1 337 . 9 1 1 A 32 32 ALA C C 32 175.600 176.260 -0.660 1
1 338 . 9 1 1 A 32 32 ALA CA C 32 50.900 51.437 -0.537 1
1 339 . 9 1 1 A 32 32 ALA CB C 32 20.300 18.783 1.517 1
1 340 . 9 1 1 A 32 32 ALA N N 32 128.100 126.436 1.664 1
1 341 . 9 1 1 A 33 33 LEU H H 33 8.740 8.935 -0.195 1
1 342 . 9 1 1 A 33 33 LEU HA H 33 4.560 4.800 -0.240 1
1 352 . 9 1 1 A 33 33 LEU C C 33 175.400 175.487 -0.087 1
1 353 . 9 1 1 A 33 33 LEU CA C 33 52.700 53.407 -0.707 1
1 354 . 9 1 1 A 33 33 LEU CB C 33 44.200 44.620 -0.420 1
1 358 . 9 1 1 A 33 33 LEU N N 33 124.500 125.711 -1.211 1
1 359 . 9 1 1 A 34 34 CYS H H 34 8.260 8.623 -0.363 1
1 360 . 9 1 1 A 34 34 CYS HA H 34 4.270 4.871 -0.601 1
1 363 . 9 1 1 A 34 34 CYS CA C 34 56.900 57.155 -0.255 1
1 364 . 9 1 1 A 34 34 CYS CB C 34 31.400 28.835 2.565 1
1 365 . 9 1 1 A 34 34 CYS N N 34 123.600 124.337 -0.737 1
1 366 . 9 1 1 A 35 35 PRO HA H 35 4.290 4.283 0.007 1
1 373 . 9 1 1 A 35 35 PRO C C 35 176.100 177.720 -1.620 1
1 374 . 9 1 1 A 35 35 PRO CA C 35 63.700 64.856 -1.156 1
1 375 . 9 1 1 A 35 35 PRO CB C 35 31.600 31.994 -0.394 1
1 378 . 9 1 1 A 36 36 ASP H H 36 8.980 8.429 0.551 1
1 379 . 9 1 1 A 36 36 ASP HA H 36 4.600 4.379 0.221 1
1 382 . 9 1 1 A 36 36 ASP C C 36 176.500 176.568 -0.068 1
1 383 . 9 1 1 A 36 36 ASP CA C 36 56.400 56.929 -0.529 1
1 384 . 9 1 1 A 36 36 ASP CB C 36 40.100 41.396 -1.296 1
1 385 . 9 1 1 A 36 36 ASP N N 36 122.200 116.670 5.530 1
1 386 . 9 1 1 A 37 37 CYS H H 37 7.840 7.856 -0.016 1
1 387 . 9 1 1 A 37 37 CYS HA H 37 5.000 4.641 0.359 1
1 390 . 9 1 1 A 37 37 CYS C C 37 175.400 173.362 2.038 1
1 391 . 9 1 1 A 37 37 CYS CA C 37 58.400 57.720 0.680 1
1 392 . 9 1 1 A 37 37 CYS CB C 37 32.300 28.169 4.131 1
1 393 . 9 1 1 A 37 37 CYS N N 37 116.000 114.365 1.635 1
1 394 . 9 1 1 A 38 38 ARG H H 38 7.880 8.634 -0.754 1
1 395 . 9 1 1 A 38 38 ARG HA H 38 4.050 4.785 -0.735 1
1 402 . 9 1 1 A 38 38 ARG C C 38 173.700 175.277 -1.577 1
1 403 . 9 1 1 A 38 38 ARG CA C 38 58.100 55.661 2.439 1
1 404 . 9 1 1 A 38 38 ARG CB C 38 27.400 29.373 -1.973 1
1 407 . 9 1 1 A 38 38 ARG N N 38 117.700 126.639 -8.939 1
1 408 . 9 1 1 A 39 39 GLN H H 39 7.720 8.093 -0.373 1
1 409 . 9 1 1 A 39 39 GLN HA H 39 4.710 4.820 -0.110 1
1 414 . 9 1 1 A 39 39 GLN CA C 39 53.900 52.698 1.202 1
1 415 . 9 1 1 A 39 39 GLN CB C 39 28.100 31.749 -3.649 1
1 417 . 9 1 1 A 39 39 GLN N N 39 117.500 123.162 -5.662 1
1 418 . 9 1 1 A 40 40 PRO HA H 40 4.570 4.377 0.193 1
1 425 . 9 1 1 A 40 40 PRO C C 40 176.600 176.940 -0.340 1
1 426 . 9 1 1 A 40 40 PRO CA C 40 63.700 63.273 0.427 1
1 427 . 9 1 1 A 40 40 PRO CB C 40 31.900 32.052 -0.152 1
1 430 . 9 1 1 A 41 41 LEU H H 41 8.170 8.242 -0.072 1
1 431 . 9 1 1 A 41 41 LEU HA H 41 4.460 4.245 0.215 1
1 441 . 9 1 1 A 41 41 LEU C C 41 177.200 176.508 0.692 1
1 442 . 9 1 1 A 41 41 LEU CA C 41 54.000 54.081 -0.081 1
1 443 . 9 1 1 A 41 41 LEU CB C 41 43.200 42.425 0.775 1
1 447 . 9 1 1 A 41 41 LEU N N 41 124.100 123.793 0.307 1
1 448 . 9 1 1 A 42 42 GLN H H 42 9.240 8.306 0.934 1
1 449 . 9 1 1 A 42 42 GLN HA H 42 4.490 4.613 -0.123 1
1 454 . 9 1 1 A 42 42 GLN C C 42 175.000 175.095 -0.095 1
1 455 . 9 1 1 A 42 42 GLN CA C 42 55.300 55.135 0.165 1
1 456 . 9 1 1 A 42 42 GLN CB C 42 29.600 30.300 -0.700 1
1 458 . 9 1 1 A 42 42 GLN N N 42 122.100 120.524 1.576 1
1 459 . 9 1 1 A 43 43 VAL H H 43 8.600 8.591 0.009 1
1 460 . 9 1 1 A 43 43 VAL HA H 43 4.260 4.266 -0.006 1
1 468 . 9 1 1 A 43 43 VAL C C 43 175.500 175.341 0.159 1
1 469 . 9 1 1 A 43 43 VAL CA C 43 62.100 62.945 -0.845 1
1 470 . 9 1 1 A 43 43 VAL CB C 43 32.000 31.125 0.875 1
1 473 . 9 1 1 A 43 43 VAL N N 43 126.400 127.336 -0.936 1
1 474 . 9 1 1 A 44 44 LEU H H 44 8.940 9.453 -0.513 1
1 475 . 9 1 1 A 44 44 LEU HA H 44 4.510 4.861 -0.351 1
1 485 . 9 1 1 A 44 44 LEU C C 44 175.500 176.022 -0.522 1
1 486 . 9 1 1 A 44 44 LEU CA C 44 53.400 54.076 -0.676 1
1 487 . 9 1 1 A 44 44 LEU CB C 44 42.800 41.568 1.232 1
1 491 . 9 1 1 A 44 44 LEU N N 44 130.200 129.023 1.177 1
1 492 . 9 1 1 A 45 45 LYS H H 45 8.520 8.263 0.257 1
1 493 . 9 1 1 A 45 45 LYS HA H 45 4.830 4.417 0.413 1
1 502 . 9 1 1 A 45 45 LYS C C 45 175.600 176.304 -0.704 1
1 503 . 9 1 1 A 45 45 LYS CA C 45 55.700 56.203 -0.503 1
1 504 . 9 1 1 A 45 45 LYS CB C 45 33.500 32.732 0.768 1
1 508 . 9 1 1 A 45 45 LYS N N 45 123.700 124.138 -0.438 1
1 509 . 9 1 1 A 46 46 ALA H H 46 8.220 9.149 -0.929 1
1 510 . 9 1 1 A 46 46 ALA HA H 46 4.540 4.726 -0.186 1
1 514 . 9 1 1 A 46 46 ALA C C 46 176.900 175.843 1.057 1
1 515 . 9 1 1 A 46 46 ALA CA C 46 51.900 50.192 1.708 1
1 516 . 9 1 1 A 46 46 ALA CB C 46 20.700 21.831 -1.131 1
1 517 . 9 1 1 A 46 46 ALA N N 46 126.400 124.801 1.599 1
1 518 . 9 1 1 A 47 47 CYS H H 47 9.200 8.537 0.663 1
1 519 . 9 1 1 A 47 47 CYS HA H 47 4.080 4.482 -0.402 1
1 522 . 9 1 1 A 47 47 CYS C C 47 175.100 175.251 -0.151 1
1 523 . 9 1 1 A 47 47 CYS CA C 47 59.700 58.770 0.930 1
1 524 . 9 1 1 A 47 47 CYS CB C 47 25.800 27.868 -2.068 1
1 525 . 9 1 1 A 47 47 CYS N N 47 120.400 117.979 2.421 1
1 526 . 9 1 1 A 48 48 GLY H H 48 8.620 8.635 -0.015 1
1 527 . 9 1 1 A 48 48 GLY HA2 H 48 3.670 3.972 -0.302 1
1 528 . 9 1 1 A 48 48 GLY HA3 H 48 4.070 3.973 0.097 1
1 529 . 9 1 1 A 48 48 GLY C C 48 173.100 174.205 -1.105 1
1 530 . 9 1 1 A 48 48 GLY CA C 48 45.500 45.012 0.488 1
1 531 . 9 1 1 A 48 48 GLY N N 48 109.000 114.408 -5.408 1
1 532 . 9 1 1 A 49 49 ALA H H 49 7.820 7.812 0.008 1
1 533 . 9 1 1 A 49 49 ALA HA H 49 4.620 4.427 0.193 1
1 537 . 9 1 1 A 49 49 ALA C C 49 176.000 176.680 -0.680 1
1 538 . 9 1 1 A 49 49 ALA CA C 49 51.000 51.616 -0.616 1
1 539 . 9 1 1 A 49 49 ALA CB C 49 21.300 19.945 1.355 1
1 540 . 9 1 1 A 49 49 ALA N N 49 124.000 124.093 -0.093 1
1 541 . 9 1 1 A 50 50 VAL H H 50 8.100 9.043 -0.943 1
1 542 . 9 1 1 A 50 50 VAL HA H 50 4.560 4.855 -0.295 1
1 550 . 9 1 1 A 50 50 VAL C C 50 174.300 174.016 0.284 1
1 551 . 9 1 1 A 50 50 VAL CA C 50 61.400 60.523 0.877 1
1 552 . 9 1 1 A 50 50 VAL CB C 50 33.800 33.427 0.373 1
1 555 . 9 1 1 A 50 50 VAL N N 50 119.600 117.688 1.912 1
1 556 . 9 1 1 A 51 51 ASP H H 51 8.640 8.978 -0.338 1
1 557 . 9 1 1 A 51 51 ASP HA H 51 5.030 5.174 -0.144 1
1 560 . 9 1 1 A 51 51 ASP C C 51 173.000 174.920 -1.920 1
1 561 . 9 1 1 A 51 51 ASP CA C 51 52.000 53.037 -1.037 1
1 562 . 9 1 1 A 51 51 ASP CB C 51 43.900 42.715 1.185 1
1 563 . 9 1 1 A 51 51 ASP N N 51 124.900 127.800 -2.900 1
1 564 . 9 1 1 A 52 52 TYR H H 52 8.950 9.089 -0.139 1
1 565 . 9 1 1 A 52 52 TYR HA H 52 5.150 5.068 0.082 1
1 572 . 9 1 1 A 52 52 TYR C C 52 174.500 174.860 -0.360 1
1 573 . 9 1 1 A 52 52 TYR CA C 52 57.300 56.888 0.412 1
1 574 . 9 1 1 A 52 52 TYR CB C 52 41.200 38.571 2.629 1
1 579 . 9 1 1 A 52 52 TYR N N 52 118.500 122.354 -3.854 1
1 580 . 9 1 1 A 53 53 PHE H H 53 9.250 8.967 0.283 1
1 581 . 9 1 1 A 53 53 PHE HA H 53 5.040 4.876 0.164 1
1 588 . 9 1 1 A 53 53 PHE C C 53 173.200 174.082 -0.882 1
1 589 . 9 1 1 A 53 53 PHE CA C 53 56.400 58.027 -1.627 1
1 590 . 9 1 1 A 53 53 PHE CB C 53 44.300 41.438 2.862 1
1 595 . 9 1 1 A 53 53 PHE N N 53 123.100 124.180 -1.080 1
1 596 . 9 1 1 A 54 54 CYS H H 54 9.160 8.610 0.550 1
1 597 . 9 1 1 A 54 54 CYS HA H 54 4.690 4.540 0.150 1
1 600 . 9 1 1 A 54 54 CYS C C 54 175.700 174.501 1.199 1
1 601 . 9 1 1 A 54 54 CYS CA C 54 58.200 58.633 -0.433 1
1 602 . 9 1 1 A 54 54 CYS CB C 54 29.600 26.835 2.765 1
1 603 . 9 1 1 A 54 54 CYS N N 54 130.800 125.033 5.767 1
1 604 . 9 1 1 A 55 55 GLN H H 55 9.260 8.595 0.665 1
1 605 . 9 1 1 A 55 55 GLN HA H 55 4.300 4.389 -0.089 1
1 610 . 9 1 1 A 55 55 GLN C C 55 174.400 178.026 -3.626 1
1 611 . 9 1 1 A 55 55 GLN CA C 55 56.900 57.660 -0.760 1
1 612 . 9 1 1 A 55 55 GLN CB C 55 28.900 29.681 -0.781 1
1 614 . 9 1 1 A 55 55 GLN N N 55 129.000 125.164 3.836 1
1 615 . 9 1 1 A 56 56 ASN H H 56 9.100 8.115 0.985 1
1 616 . 9 1 1 A 56 56 ASN HA H 56 4.860 4.771 0.089 1
1 619 . 9 1 1 A 56 56 ASN C C 56 174.100 174.902 -0.802 1
1 620 . 9 1 1 A 56 56 ASN CA C 56 52.100 53.568 -1.468 1
1 621 . 9 1 1 A 56 56 ASN CB C 56 39.500 38.834 0.666 1
1 622 . 9 1 1 A 56 56 ASN N N 56 122.300 115.991 6.309 1
1 623 . 9 1 1 A 57 57 GLY H H 57 7.180 7.732 -0.552 1
1 624 . 9 1 1 A 57 57 GLY HA2 H 57 3.450 4.151 -0.701 1
1 625 . 9 1 1 A 57 57 GLY HA3 H 57 4.000 4.180 -0.180 1
1 626 . 9 1 1 A 57 57 GLY C C 57 175.800 173.969 1.831 1
1 627 . 9 1 1 A 57 57 GLY CA C 57 45.100 45.449 -0.349 1
1 628 . 9 1 1 A 57 57 GLY N N 57 104.200 105.906 -1.706 1
1 629 . 9 1 1 A 58 58 HIS H H 58 7.380 9.467 -2.087 1
1 630 . 9 1 1 A 58 58 HIS HA H 58 4.620 4.151 0.469 1
1 633 . 9 1 1 A 58 58 HIS C C 58 174.100 174.050 0.050 1
1 634 . 9 1 1 A 58 58 HIS CA C 58 59.600 59.026 0.574 1
1 635 . 9 1 1 A 58 58 HIS CB C 58 30.100 28.134 1.966 1
1 636 . 9 1 1 A 58 58 HIS N N 58 116.000 117.852 -1.852 1
1 637 . 9 1 1 A 59 59 GLY H H 59 7.610 7.836 -0.226 1
1 638 . 9 1 1 A 59 59 GLY HA2 H 59 2.930 3.968 -1.038 1
1 639 . 9 1 1 A 59 59 GLY HA3 H 59 3.700 3.969 -0.269 1
1 640 . 9 1 1 A 59 59 GLY C C 59 173.100 173.054 0.046 1
1 641 . 9 1 1 A 59 59 GLY CA C 59 45.500 45.497 0.003 1
1 642 . 9 1 1 A 59 59 GLY N N 59 108.000 103.920 4.080 1
1 643 . 9 1 1 A 60 60 LEU H H 60 8.450 8.450 0.000 1
1 644 . 9 1 1 A 60 60 LEU HA H 60 4.620 3.669 0.951 1
1 654 . 9 1 1 A 60 60 LEU C C 60 176.800 175.929 0.871 1
1 655 . 9 1 1 A 60 60 LEU CA C 60 55.700 54.935 0.765 1
1 656 . 9 1 1 A 60 60 LEU CB C 60 42.200 42.478 -0.278 1
1 660 . 9 1 1 A 60 60 LEU N N 60 124.300 121.484 2.816 1
1 661 . 9 1 1 A 61 61 ILE H H 61 8.740 8.098 0.642 1
1 662 . 9 1 1 A 61 61 ILE HA H 61 4.200 4.480 -0.280 1
1 672 . 9 1 1 A 61 61 ILE C C 61 175.500 175.775 -0.275 1
1 673 . 9 1 1 A 61 61 ILE CA C 61 57.000 59.599 -2.599 1
1 674 . 9 1 1 A 61 61 ILE CB C 61 37.400 39.601 -2.201 1
1 678 . 9 1 1 A 61 61 ILE N N 61 128.500 125.460 3.040 1
1 679 . 9 1 1 A 62 62 SER H H 62 8.490 8.619 -0.129 1
1 680 . 9 1 1 A 62 62 SER HA H 62 4.380 4.522 -0.142 1
1 683 . 9 1 1 A 62 62 SER C C 62 176.500 174.571 1.929 1
1 684 . 9 1 1 A 62 62 SER CA C 62 58.300 60.098 -1.798 1
1 685 . 9 1 1 A 62 62 SER CB C 62 63.500 63.829 -0.329 1
1 686 . 9 1 1 A 62 62 SER N N 62 121.700 123.159 -1.459 1
1 687 . 9 1 1 A 63 63 LYS H H 63 9.040 9.291 -0.251 1
1 688 . 9 1 1 A 63 63 LYS HA H 63 3.910 4.411 -0.501 1
1 697 . 9 1 1 A 63 63 LYS C C 63 178.200 177.171 1.029 1
1 698 . 9 1 1 A 63 63 LYS CA C 63 60.300 58.223 2.077 1
1 699 . 9 1 1 A 63 63 LYS CB C 63 32.000 32.068 -0.068 1
1 703 . 9 1 1 A 63 63 LYS N N 63 126.000 126.095 -0.095 1
1 704 . 9 1 1 A 64 64 LYS H H 64 8.090 7.808 0.282 1
1 705 . 9 1 1 A 64 64 LYS HA H 64 4.190 4.430 -0.240 1
1 714 . 9 1 1 A 64 64 LYS C C 64 177.000 177.632 -0.632 1
1 715 . 9 1 1 A 64 64 LYS CA C 64 58.000 57.900 0.100 1
1 716 . 9 1 1 A 64 64 LYS CB C 64 32.300 33.525 -1.225 1
1 720 . 9 1 1 A 64 64 LYS N N 64 115.400 117.555 -2.155 1
1 721 . 9 1 1 A 65 65 ARG H H 65 7.960 7.673 0.287 1
1 722 . 9 1 1 A 65 65 ARG HA H 65 4.280 4.455 -0.175 1
1 729 . 9 1 1 A 65 65 ARG C C 65 176.000 174.109 1.891 1
1 730 . 9 1 1 A 65 65 ARG CA C 65 55.900 55.239 0.661 1
1 731 . 9 1 1 A 65 65 ARG CB C 65 32.000 28.904 3.096 1
1 734 . 9 1 1 A 65 65 ARG N N 65 116.600 118.792 -2.192 1
1 735 . 9 1 1 A 66 66 VAL H H 66 6.810 7.996 -1.186 1
1 736 . 9 1 1 A 66 66 VAL HA H 66 2.800 4.367 -1.567 1
1 744 . 9 1 1 A 66 66 VAL C C 66 174.500 174.943 -0.443 1
1 745 . 9 1 1 A 66 66 VAL CA C 66 65.000 60.838 4.162 1
1 746 . 9 1 1 A 66 66 VAL CB C 66 32.000 34.048 -2.048 1
1 749 . 9 1 1 A 66 66 VAL N N 66 119.600 124.358 -4.758 1
1 750 . 9 1 1 A 67 67 ASN H H 67 7.270 8.737 -1.467 1
1 751 . 9 1 1 A 67 67 ASN HA H 67 4.840 4.734 0.106 1
1 756 . 9 1 1 A 67 67 ASN C C 67 173.200 173.785 -0.585 1
1 757 . 9 1 1 A 67 67 ASN CA C 67 51.200 51.967 -0.767 1
1 758 . 9 1 1 A 67 67 ASN CB C 67 39.100 37.428 1.672 1
1 759 . 9 1 1 A 67 67 ASN N N 67 123.500 124.832 -1.332 1
1 761 . 9 1 1 A 68 68 PHE H H 68 8.180 8.636 -0.456 1
1 762 . 9 1 1 A 68 68 PHE HA H 68 5.170 5.106 0.064 1
1 770 . 9 1 1 A 68 68 PHE C C 68 175.300 174.804 0.496 1
1 771 . 9 1 1 A 68 68 PHE CA C 68 58.000 58.176 -0.176 1
1 772 . 9 1 1 A 68 68 PHE CB C 68 41.100 38.582 2.518 1
1 778 . 9 1 1 A 68 68 PHE N N 68 123.300 125.565 -2.265 1
1 779 . 9 1 1 A 69 69 VAL H H 69 8.660 8.739 -0.079 1
1 780 . 9 1 1 A 69 69 VAL HA H 69 4.520 4.979 -0.459 1
1 788 . 9 1 1 A 69 69 VAL C C 69 175.100 174.086 1.014 1
1 789 . 9 1 1 A 69 69 VAL CA C 69 59.200 59.873 -0.673 1
1 790 . 9 1 1 A 69 69 VAL CB C 69 35.100 35.045 0.055 1
1 793 . 9 1 1 A 69 69 VAL N N 69 116.500 122.892 -6.392 1
1 794 . 9 1 1 A 70 70 ILE H H 70 8.480 8.759 -0.279 1
1 795 . 9 1 1 A 70 70 ILE HA H 70 4.350 4.408 -0.058 1
1 805 . 9 1 1 A 70 70 ILE C C 70 176.400 175.501 0.899 1
1 806 . 9 1 1 A 70 70 ILE CA C 70 61.300 61.203 0.097 1
1 807 . 9 1 1 A 70 70 ILE CB C 70 38.200 36.728 1.472 1
1 811 . 9 1 1 A 70 70 ILE N N 70 123.100 127.787 -4.687 1
1 812 . 9 1 1 A 71 71 SER H H 71 8.770 8.089 0.681 1
1 813 . 9 1 1 A 71 71 SER HA H 71 4.550 4.460 0.090 1
1 816 . 9 1 1 A 71 71 SER C C 71 174.200 173.878 0.322 1
1 817 . 9 1 1 A 71 71 SER CA C 71 57.700 60.134 -2.434 1
1 818 . 9 1 1 A 71 71 SER CB C 71 64.100 63.264 0.836 1
1 819 . 9 1 1 A 71 71 SER N N 71 122.200 123.386 -1.186 1
1 820 . 9 1 1 A 72 72 ASP H H 72 8.470 8.895 -0.425 1
1 821 . 9 1 1 A 72 72 ASP HA H 72 4.720 4.632 0.088 1
1 824 . 9 1 1 A 72 72 ASP C C 72 176.100 176.536 -0.436 1
1 825 . 9 1 1 A 72 72 ASP CA C 72 54.200 53.555 0.645 1
1 826 . 9 1 1 A 72 72 ASP CB C 72 41.200 40.219 0.981 1
1 827 . 9 1 1 A 72 72 ASP N N 72 122.700 126.175 -3.475 1
1 828 . 9 1 1 A 73 73 GLN H H 73 8.490 8.584 -0.094 1
1 829 . 9 1 1 A 73 73 GLN HA H 73 4.310 4.569 -0.259 1
1 834 . 9 1 1 A 73 73 GLN C C 73 176.000 175.690 0.310 1
1 835 . 9 1 1 A 73 73 GLN CA C 73 56.100 55.489 0.611 1
1 836 . 9 1 1 A 73 73 GLN CB C 73 29.200 29.522 -0.322 1
1 838 . 9 1 1 A 73 73 GLN N N 73 120.300 127.204 -6.904 1
1 839 . 9 1 1 A 74 74 LEU H H 74 8.250 7.499 0.751 1
1 840 . 9 1 1 A 74 74 LEU HA H 74 4.250 4.502 -0.252 1
1 850 . 9 1 1 A 74 74 LEU C C 74 177.100 176.706 0.394 1
1 851 . 9 1 1 A 74 74 LEU CA C 74 55.200 53.673 1.527 1
1 852 . 9 1 1 A 74 74 LEU CB C 74 42.100 43.810 -1.710 1
1 856 . 9 1 1 A 74 74 LEU N N 74 123.000 122.644 0.356 1
1 857 . 9 1 1 A 75 75 GLU H H 75 8.260 8.652 -0.392 1
1 858 . 9 1 1 A 75 75 GLU HA H 75 4.170 4.310 -0.140 1
1 863 . 9 1 1 A 75 75 GLU C C 75 176.200 177.664 -1.464 1
1 864 . 9 1 1 A 75 75 GLU CA C 75 56.300 56.834 -0.534 1
1 865 . 9 1 1 A 75 75 GLU CB C 75 29.800 30.103 -0.303 1
1 867 . 9 1 1 A 75 75 GLU N N 75 120.700 122.511 -1.811 1
1 868 . 9 1 1 A 76 76 HIS H H 76 8.480 8.800 -0.320 1
1 869 . 9 1 1 A 76 76 HIS HA H 76 4.610 5.014 -0.404 1
1 872 . 9 1 1 A 76 76 HIS C C 76 174.200 174.716 -0.516 1
1 873 . 9 1 1 A 76 76 HIS CA C 76 55.100 56.021 -0.921 1
1 874 . 9 1 1 A 76 76 HIS CB C 76 28.700 29.923 -1.223 1
1 875 . 9 1 1 A 76 76 HIS N N 76 119.100 120.069 -0.969 1
1 876 . 9 1 1 A 77 77 HIS H H 77 8.540 8.209 0.331 1
1 877 . 9 1 1 A 77 77 HIS HA H 77 4.620 4.373 0.247 1
1 880 . 9 1 1 A 77 77 HIS C C 77 174.100 175.230 -1.130 1
1 881 . 9 1 1 A 77 77 HIS CA C 77 55.300 56.768 -1.468 1
1 882 . 9 1 1 A 77 77 HIS CB C 77 28.900 28.477 0.423 1
1 883 . 9 1 1 A 77 77 HIS N N 77 118.700 113.697 5.003 1
1 884 . 9 1 1 A 78 78 HIS H H 78 8.630 8.534 0.096 1
1 885 . 9 1 1 A 78 78 HIS HA H 78 4.660 4.340 0.320 1
1 888 . 9 1 1 A 78 78 HIS C C 78 174.100 175.290 -1.190 1
1 889 . 9 1 1 A 78 78 HIS CA C 78 55.200 59.590 -4.390 1
1 890 . 9 1 1 A 78 78 HIS CB C 78 29.100 30.363 -1.263 1
1 891 . 9 1 1 A 78 78 HIS N N 78 119.500 123.296 -3.796 1
1 892 . 9 1 1 A 79 79 HIS H H 79 8.690 8.045 0.645 1
1 893 . 9 1 1 A 79 79 HIS HA H 79 4.660 4.567 0.093 1
1 896 . 9 1 1 A 79 79 HIS C C 79 173.900 174.635 -0.735 1
1 897 . 9 1 1 A 79 79 HIS CA C 79 55.200 55.002 0.198 1
1 898 . 9 1 1 A 79 79 HIS CB C 79 29.100 28.892 0.208 1
1 899 . 9 1 1 A 79 79 HIS N N 79 120.400 115.323 5.077 1
1 900 . 9 1 1 A 80 80 HIS H H 80 8.590 7.654 0.936 1
1 901 . 9 1 1 A 80 80 HIS HA H 80 4.630 5.362 -0.732 1
1 904 . 9 1 1 A 80 80 HIS C C 80 173.400 171.951 1.449 1
1 905 . 9 1 1 A 80 80 HIS CA C 80 55.400 54.022 1.378 1
1 906 . 9 1 1 A 80 80 HIS CB C 80 29.300 33.232 -3.932 1
1 907 . 9 1 1 A 80 80 HIS N N 80 120.600 119.756 0.844 1
1 7 . 10 1 1 A 2 2 GLU H H 2 8.850 8.063 0.787 1
1 8 . 10 1 1 A 2 2 GLU HA H 2 4.450 4.276 0.174 1
1 13 . 10 1 1 A 2 2 GLU C C 2 175.400 175.939 -0.539 1
1 14 . 10 1 1 A 2 2 GLU CA C 2 55.900 58.602 -2.702 1
1 15 . 10 1 1 A 2 2 GLU CB C 2 30.300 28.367 1.933 1
1 17 . 10 1 1 A 2 2 GLU N N 2 123.600 117.250 6.350 1
1 18 . 10 1 1 A 3 3 ILE H H 3 8.590 8.260 0.330 1
1 19 . 10 1 1 A 3 3 ILE HA H 3 4.310 4.789 -0.479 1
1 29 . 10 1 1 A 3 3 ILE C C 3 175.100 174.921 0.179 1
1 30 . 10 1 1 A 3 3 ILE CA C 3 60.700 60.149 0.551 1
1 31 . 10 1 1 A 3 3 ILE CB C 3 39.500 39.213 0.287 1
1 35 . 10 1 1 A 3 3 ILE N N 3 122.100 119.014 3.086 1
1 36 . 10 1 1 A 4 4 THR H H 4 8.130 8.992 -0.862 1
1 37 . 10 1 1 A 4 4 THR HA H 4 4.540 4.858 -0.318 1
1 42 . 10 1 1 A 4 4 THR C C 4 173.000 173.474 -0.474 1
1 43 . 10 1 1 A 4 4 THR CA C 4 59.700 61.338 -1.638 1
1 44 . 10 1 1 A 4 4 THR CB C 4 71.400 71.092 0.308 1
1 46 . 10 1 1 A 4 4 THR N N 4 116.800 122.090 -5.290 1
1 47 . 10 1 1 A 5 5 CYS H H 5 8.700 8.500 0.200 1
1 48 . 10 1 1 A 5 5 CYS HA H 5 3.960 4.448 -0.488 1
1 51 . 10 1 1 A 5 5 CYS CA C 5 56.800 57.510 -0.710 1
1 52 . 10 1 1 A 5 5 CYS CB C 5 32.000 28.714 3.286 1
1 53 . 10 1 1 A 5 5 CYS N N 5 125.600 126.108 -0.508 1
1 54 . 10 1 1 A 6 6 PRO HA H 6 4.260 4.398 -0.138 1
1 61 . 10 1 1 A 6 6 PRO C C 6 176.000 177.905 -1.905 1
1 62 . 10 1 1 A 6 6 PRO CA C 6 63.900 65.347 -1.447 1
1 63 . 10 1 1 A 6 6 PRO CB C 6 32.100 31.806 0.294 1
1 66 . 10 1 1 A 7 7 VAL H H 7 9.210 7.780 1.430 1
1 67 . 10 1 1 A 7 7 VAL HA H 7 3.820 4.084 -0.264 1
1 75 . 10 1 1 A 7 7 VAL CA C 7 64.900 63.808 1.092 1
1 76 . 10 1 1 A 7 7 VAL CB C 7 32.200 31.630 0.570 1
1 79 . 10 1 1 A 7 7 VAL N N 7 122.500 115.886 6.614 1
1 80 . 10 1 1 A 8 8 CYS HA H 8 4.560 4.617 -0.057 1
1 83 . 10 1 1 A 8 8 CYS C C 8 176.800 175.401 1.399 1
1 84 . 10 1 1 A 8 8 CYS CA C 8 58.900 60.810 -1.910 1
1 85 . 10 1 1 A 8 8 CYS CB C 8 32.000 28.869 3.131 1
1 86 . 10 1 1 A 9 9 HIS H H 9 7.550 8.401 -0.851 1
1 87 . 10 1 1 A 9 9 HIS HA H 9 4.470 4.200 0.270 1
1 91 . 10 1 1 A 9 9 HIS CA C 9 56.900 56.668 0.232 1
1 92 . 10 1 1 A 9 9 HIS CB C 9 25.900 28.592 -2.692 1
1 94 . 10 1 1 A 9 9 HIS N N 9 115.000 118.684 -3.684 1
1 95 . 10 1 1 A 10 10 HIS HA H 10 4.790 4.651 0.139 1
1 100 . 10 1 1 A 10 10 HIS C C 10 174.700 174.764 -0.064 1
1 101 . 10 1 1 A 10 10 HIS CA C 10 55.700 55.305 0.395 1
1 102 . 10 1 1 A 10 10 HIS CB C 10 29.800 30.265 -0.465 1
1 105 . 10 1 1 A 11 11 ALA H H 11 8.790 7.797 0.993 1
1 106 . 10 1 1 A 11 11 ALA HA H 11 4.310 3.900 0.410 1
1 110 . 10 1 1 A 11 11 ALA C C 11 177.800 175.472 2.328 1
1 111 . 10 1 1 A 11 11 ALA CA C 11 53.400 54.353 -0.953 1
1 112 . 10 1 1 A 11 11 ALA CB C 11 18.600 17.930 0.670 1
1 113 . 10 1 1 A 11 11 ALA N N 11 124.500 120.049 4.451 1
1 114 . 10 1 1 A 12 12 LEU H H 12 8.480 8.863 -0.383 1
1 115 . 10 1 1 A 12 12 LEU HA H 12 4.640 5.031 -0.391 1
1 125 . 10 1 1 A 12 12 LEU C C 12 176.900 175.381 1.519 1
1 126 . 10 1 1 A 12 12 LEU CA C 12 53.500 53.579 -0.079 1
1 127 . 10 1 1 A 12 12 LEU CB C 12 44.100 46.843 -2.743 1
1 131 . 10 1 1 A 12 12 LEU N N 12 121.200 119.618 1.582 1
1 132 . 10 1 1 A 13 13 GLU H H 13 8.600 8.561 0.039 1
1 133 . 10 1 1 A 13 13 GLU HA H 13 4.590 5.126 -0.536 1
1 138 . 10 1 1 A 13 13 GLU C C 13 175.700 175.292 0.408 1
1 139 . 10 1 1 A 13 13 GLU CA C 13 54.700 54.616 0.084 1
1 140 . 10 1 1 A 13 13 GLU CB C 13 30.200 32.900 -2.700 1
1 142 . 10 1 1 A 13 13 GLU N N 13 120.300 121.822 -1.522 1
1 143 . 10 1 1 A 14 14 ARG H H 14 9.010 8.773 0.237 1
1 144 . 10 1 1 A 14 14 ARG HA H 14 4.460 4.522 -0.062 1
1 151 . 10 1 1 A 14 14 ARG C C 14 174.900 177.132 -2.232 1
1 152 . 10 1 1 A 14 14 ARG CA C 14 56.400 56.443 -0.043 1
1 153 . 10 1 1 A 14 14 ARG CB C 14 31.800 30.188 1.612 1
1 156 . 10 1 1 A 14 14 ARG N N 14 126.500 127.824 -1.324 1
1 157 . 10 1 1 A 15 15 ASN H H 15 8.670 9.244 -0.574 1
1 158 . 10 1 1 A 15 15 ASN HA H 15 4.850 4.633 0.217 1
1 161 . 10 1 1 A 15 15 ASN C C 15 174.900 175.478 -0.578 1
1 162 . 10 1 1 A 15 15 ASN CA C 15 52.100 53.530 -1.430 1
1 163 . 10 1 1 A 15 15 ASN CB C 15 39.200 39.090 0.110 1
1 164 . 10 1 1 A 15 15 ASN N N 15 125.100 125.919 -0.819 1
1 165 . 10 1 1 A 16 16 GLY H H 16 8.880 7.123 1.757 1
1 166 . 10 1 1 A 16 16 GLY HA2 H 16 3.570 4.010 -0.440 1
1 167 . 10 1 1 A 16 16 GLY HA3 H 16 4.000 4.024 -0.024 1
1 168 . 10 1 1 A 16 16 GLY C C 16 173.700 173.670 0.030 1
1 169 . 10 1 1 A 16 16 GLY CA C 16 47.200 45.691 1.509 1
1 170 . 10 1 1 A 16 16 GLY N N 16 114.400 106.874 7.526 1
1 171 . 10 1 1 A 17 17 ASP H H 17 8.600 8.599 0.001 1
1 172 . 10 1 1 A 17 17 ASP HA H 17 4.600 4.631 -0.031 1
1 175 . 10 1 1 A 17 17 ASP C C 17 174.800 175.440 -0.640 1
1 176 . 10 1 1 A 17 17 ASP CA C 17 53.800 54.144 -0.344 1
1 177 . 10 1 1 A 17 17 ASP CB C 17 40.200 41.373 -1.173 1
1 178 . 10 1 1 A 17 17 ASP N N 17 126.400 122.669 3.731 1
1 179 . 10 1 1 A 18 18 THR H H 18 7.710 7.451 0.259 1
1 180 . 10 1 1 A 18 18 THR HA H 18 5.120 5.254 -0.134 1
1 185 . 10 1 1 A 18 18 THR C C 18 171.900 173.156 -1.256 1
1 186 . 10 1 1 A 18 18 THR CA C 18 60.400 59.580 0.820 1
1 187 . 10 1 1 A 18 18 THR CB C 18 72.300 71.707 0.593 1
1 189 . 10 1 1 A 18 18 THR N N 18 112.300 108.535 3.765 1
1 190 . 10 1 1 A 19 19 ALA H H 19 9.090 9.264 -0.174 1
1 191 . 10 1 1 A 19 19 ALA HA H 19 5.250 5.254 -0.004 1
1 195 . 10 1 1 A 19 19 ALA C C 19 175.000 175.543 -0.543 1
1 196 . 10 1 1 A 19 19 ALA CA C 19 50.300 50.215 0.085 1
1 197 . 10 1 1 A 19 19 ALA CB C 19 23.900 21.324 2.576 1
1 198 . 10 1 1 A 19 19 ALA N N 19 123.300 123.978 -0.678 1
1 199 . 10 1 1 A 20 20 HIS H H 20 9.130 9.635 -0.505 1
1 200 . 10 1 1 A 20 20 HIS HA H 20 5.550 5.037 0.513 1
1 205 . 10 1 1 A 20 20 HIS C C 20 173.100 173.664 -0.564 1
1 206 . 10 1 1 A 20 20 HIS CA C 20 54.700 55.053 -0.353 1
1 207 . 10 1 1 A 20 20 HIS CB C 20 31.900 31.606 0.294 1
1 210 . 10 1 1 A 20 20 HIS N N 20 120.000 124.656 -4.656 1
1 211 . 10 1 1 A 21 21 CYS H H 21 8.910 8.585 0.325 1
1 212 . 10 1 1 A 21 21 CYS HA H 21 4.700 4.596 0.104 1
1 215 . 10 1 1 A 21 21 CYS C C 21 176.400 174.797 1.603 1
1 216 . 10 1 1 A 21 21 CYS CA C 21 57.900 57.796 0.104 1
1 217 . 10 1 1 A 21 21 CYS CB C 21 31.700 28.844 2.856 1
1 218 . 10 1 1 A 21 21 CYS N N 21 129.200 127.693 1.507 1
1 219 . 10 1 1 A 22 22 GLU H H 22 9.030 8.978 0.052 1
1 220 . 10 1 1 A 22 22 GLU HA H 22 4.130 4.233 -0.103 1
1 225 . 10 1 1 A 22 22 GLU C C 22 177.400 176.284 1.116 1
1 226 . 10 1 1 A 22 22 GLU CA C 22 58.200 58.815 -0.615 1
1 227 . 10 1 1 A 22 22 GLU CB C 22 29.500 30.190 -0.690 1
1 229 . 10 1 1 A 22 22 GLU N N 22 128.800 127.579 1.221 1
1 230 . 10 1 1 A 23 23 THR H H 23 8.360 7.758 0.602 1
1 231 . 10 1 1 A 23 23 THR HA H 23 3.920 4.319 -0.399 1
1 236 . 10 1 1 A 23 23 THR C C 23 176.500 174.720 1.780 1
1 237 . 10 1 1 A 23 23 THR CA C 23 66.800 62.593 4.207 1
1 238 . 10 1 1 A 23 23 THR CB C 23 69.100 68.613 0.487 1
1 240 . 10 1 1 A 23 23 THR N N 23 119.800 107.957 11.843 1
1 241 . 10 1 1 A 24 24 CYS H H 24 9.570 8.939 0.631 1
1 242 . 10 1 1 A 24 24 CYS HA H 24 3.880 4.169 -0.289 1
1 245 . 10 1 1 A 24 24 CYS C C 24 174.900 173.936 0.964 1
1 246 . 10 1 1 A 24 24 CYS CA C 24 62.000 59.754 2.246 1
1 247 . 10 1 1 A 24 24 CYS CB C 24 30.300 25.302 4.998 1
1 248 . 10 1 1 A 24 24 CYS N N 24 123.600 122.970 0.630 1
1 249 . 10 1 1 A 25 25 ALA H H 25 7.720 8.371 -0.651 1
1 250 . 10 1 1 A 25 25 ALA HA H 25 3.820 4.910 -1.090 1
1 254 . 10 1 1 A 25 25 ALA C C 25 175.400 176.630 -1.230 1
1 255 . 10 1 1 A 25 25 ALA CA C 25 52.500 51.935 0.565 1
1 256 . 10 1 1 A 25 25 ALA CB C 25 16.000 19.076 -3.076 1
1 257 . 10 1 1 A 25 25 ALA N N 25 121.400 126.952 -5.552 1
1 258 . 10 1 1 A 26 26 LYS H H 26 6.910 7.935 -1.025 1
1 259 . 10 1 1 A 26 26 LYS HA H 26 4.450 4.906 -0.456 1
1 268 . 10 1 1 A 26 26 LYS CA C 26 54.600 54.552 0.048 1
1 269 . 10 1 1 A 26 26 LYS CB C 26 37.900 35.877 2.023 1
1 273 . 10 1 1 A 26 26 LYS N N 26 116.100 120.588 -4.488 1
1 274 . 10 1 1 A 27 27 ASP HA H 27 5.610 5.608 0.002 1
1 277 . 10 1 1 A 27 27 ASP C C 27 174.400 174.552 -0.152 1
1 278 . 10 1 1 A 27 27 ASP CA C 27 53.000 52.238 0.762 1
1 279 . 10 1 1 A 27 27 ASP CB C 27 44.200 43.873 0.327 1
1 280 . 10 1 1 A 28 28 PHE H H 28 9.200 9.178 0.022 1
1 281 . 10 1 1 A 28 28 PHE HA H 28 4.890 5.084 -0.194 1
1 289 . 10 1 1 A 28 28 PHE C C 28 175.500 175.559 -0.059 1
1 290 . 10 1 1 A 28 28 PHE CA C 28 56.800 56.296 0.504 1
1 291 . 10 1 1 A 28 28 PHE CB C 28 42.900 41.859 1.041 1
1 297 . 10 1 1 A 28 28 PHE N N 28 118.100 120.222 -2.122 1
1 298 . 10 1 1 A 29 29 SER H H 29 9.070 9.060 0.010 1
1 299 . 10 1 1 A 29 29 SER HA H 29 4.750 4.790 -0.040 1
1 302 . 10 1 1 A 29 29 SER C C 29 173.400 174.205 -0.805 1
1 303 . 10 1 1 A 29 29 SER CA C 29 58.400 58.979 -0.579 1
1 304 . 10 1 1 A 29 29 SER CB C 29 64.100 63.742 0.358 1
1 305 . 10 1 1 A 29 29 SER N N 29 118.400 120.806 -2.406 1
1 306 . 10 1 1 A 30 30 LEU H H 30 8.180 8.829 -0.649 1
1 307 . 10 1 1 A 30 30 LEU HA H 30 5.200 5.342 -0.142 1
1 317 . 10 1 1 A 30 30 LEU CA C 30 53.100 53.697 -0.597 1
1 318 . 10 1 1 A 30 30 LEU CB C 30 44.800 44.202 0.598 1
1 322 . 10 1 1 A 30 30 LEU N N 30 122.200 126.727 -4.527 1
1 323 . 10 1 1 A 31 31 GLN HA H 31 4.680 4.980 -0.300 1
1 328 . 10 1 1 A 31 31 GLN C C 31 173.600 175.161 -1.561 1
1 329 . 10 1 1 A 31 31 GLN CA C 31 54.200 54.047 0.153 1
1 330 . 10 1 1 A 31 31 GLN CB C 31 31.800 31.650 0.150 1
1 332 . 10 1 1 A 32 32 ALA H H 32 8.560 8.638 -0.078 1
1 333 . 10 1 1 A 32 32 ALA HA H 32 3.990 4.727 -0.737 1
1 337 . 10 1 1 A 32 32 ALA C C 32 175.600 176.942 -1.342 1
1 338 . 10 1 1 A 32 32 ALA CA C 32 50.900 52.637 -1.737 1
1 339 . 10 1 1 A 32 32 ALA CB C 32 20.300 19.265 1.035 1
1 340 . 10 1 1 A 32 32 ALA N N 32 128.100 129.189 -1.089 1
1 341 . 10 1 1 A 33 33 LEU H H 33 8.740 8.710 0.030 1
1 342 . 10 1 1 A 33 33 LEU HA H 33 4.560 5.152 -0.592 1
1 352 . 10 1 1 A 33 33 LEU C C 33 175.400 174.222 1.178 1
1 353 . 10 1 1 A 33 33 LEU CA C 33 52.700 53.533 -0.833 1
1 354 . 10 1 1 A 33 33 LEU CB C 33 44.200 46.724 -2.524 1
1 358 . 10 1 1 A 33 33 LEU N N 33 124.500 124.539 -0.039 1
1 359 . 10 1 1 A 34 34 CYS H H 34 8.260 8.594 -0.334 1
1 360 . 10 1 1 A 34 34 CYS HA H 34 4.270 4.899 -0.629 1
1 363 . 10 1 1 A 34 34 CYS CA C 34 56.900 55.595 1.305 1
1 364 . 10 1 1 A 34 34 CYS CB C 34 31.400 29.695 1.705 1
1 365 . 10 1 1 A 34 34 CYS N N 34 123.600 124.595 -0.995 1
1 366 . 10 1 1 A 35 35 PRO HA H 35 4.290 4.285 0.005 1
1 373 . 10 1 1 A 35 35 PRO C C 35 176.100 177.953 -1.853 1
1 374 . 10 1 1 A 35 35 PRO CA C 35 63.700 65.099 -1.399 1
1 375 . 10 1 1 A 35 35 PRO CB C 35 31.600 31.723 -0.123 1
1 378 . 10 1 1 A 36 36 ASP H H 36 8.980 8.586 0.394 1
1 379 . 10 1 1 A 36 36 ASP HA H 36 4.600 4.482 0.118 1
1 382 . 10 1 1 A 36 36 ASP C C 36 176.500 176.083 0.417 1
1 383 . 10 1 1 A 36 36 ASP CA C 36 56.400 54.887 1.513 1
1 384 . 10 1 1 A 36 36 ASP CB C 36 40.100 39.970 0.130 1
1 385 . 10 1 1 A 36 36 ASP N N 36 122.200 114.477 7.723 1
1 386 . 10 1 1 A 37 37 CYS H H 37 7.840 7.445 0.395 1
1 387 . 10 1 1 A 37 37 CYS HA H 37 5.000 4.774 0.226 1
1 390 . 10 1 1 A 37 37 CYS C C 37 175.400 172.998 2.402 1
1 391 . 10 1 1 A 37 37 CYS CA C 37 58.400 58.175 0.225 1
1 392 . 10 1 1 A 37 37 CYS CB C 37 32.300 28.298 4.002 1
1 393 . 10 1 1 A 37 37 CYS N N 37 116.000 117.914 -1.914 1
1 394 . 10 1 1 A 38 38 ARG H H 38 7.880 8.769 -0.889 1
1 395 . 10 1 1 A 38 38 ARG HA H 38 4.050 4.482 -0.432 1
1 402 . 10 1 1 A 38 38 ARG C C 38 173.700 174.873 -1.173 1
1 403 . 10 1 1 A 38 38 ARG CA C 38 58.100 55.427 2.673 1
1 404 . 10 1 1 A 38 38 ARG CB C 38 27.400 28.651 -1.251 1
1 407 . 10 1 1 A 38 38 ARG N N 38 117.700 126.951 -9.251 1
1 408 . 10 1 1 A 39 39 GLN H H 39 7.720 8.020 -0.300 1
1 409 . 10 1 1 A 39 39 GLN HA H 39 4.710 4.803 -0.093 1
1 414 . 10 1 1 A 39 39 GLN CA C 39 53.900 52.759 1.141 1
1 415 . 10 1 1 A 39 39 GLN CB C 39 28.100 31.734 -3.634 1
1 417 . 10 1 1 A 39 39 GLN N N 39 117.500 121.711 -4.211 1
1 418 . 10 1 1 A 40 40 PRO HA H 40 4.570 4.512 0.058 1
1 425 . 10 1 1 A 40 40 PRO C C 40 176.600 177.264 -0.664 1
1 426 . 10 1 1 A 40 40 PRO CA C 40 63.700 63.171 0.529 1
1 427 . 10 1 1 A 40 40 PRO CB C 40 31.900 31.721 0.179 1
1 430 . 10 1 1 A 41 41 LEU H H 41 8.170 8.416 -0.246 1
1 431 . 10 1 1 A 41 41 LEU HA H 41 4.460 4.558 -0.098 1
1 441 . 10 1 1 A 41 41 LEU C C 41 177.200 177.011 0.189 1
1 442 . 10 1 1 A 41 41 LEU CA C 41 54.000 54.368 -0.368 1
1 443 . 10 1 1 A 41 41 LEU CB C 41 43.200 42.580 0.620 1
1 447 . 10 1 1 A 41 41 LEU N N 41 124.100 123.360 0.740 1
1 448 . 10 1 1 A 42 42 GLN H H 42 9.240 8.465 0.775 1
1 449 . 10 1 1 A 42 42 GLN HA H 42 4.490 4.578 -0.088 1
1 454 . 10 1 1 A 42 42 GLN C C 42 175.000 174.919 0.081 1
1 455 . 10 1 1 A 42 42 GLN CA C 42 55.300 55.607 -0.307 1
1 456 . 10 1 1 A 42 42 GLN CB C 42 29.600 28.944 0.656 1
1 458 . 10 1 1 A 42 42 GLN N N 42 122.100 119.196 2.904 1
1 459 . 10 1 1 A 43 43 VAL H H 43 8.600 8.484 0.116 1
1 460 . 10 1 1 A 43 43 VAL HA H 43 4.260 3.958 0.302 1
1 468 . 10 1 1 A 43 43 VAL C C 43 175.500 175.557 -0.057 1
1 469 . 10 1 1 A 43 43 VAL CA C 43 62.100 62.920 -0.820 1
1 470 . 10 1 1 A 43 43 VAL CB C 43 32.000 30.981 1.019 1
1 473 . 10 1 1 A 43 43 VAL N N 43 126.400 125.393 1.007 1
1 474 . 10 1 1 A 44 44 LEU H H 44 8.940 9.387 -0.447 1
1 475 . 10 1 1 A 44 44 LEU HA H 44 4.510 5.013 -0.503 1
1 485 . 10 1 1 A 44 44 LEU C C 44 175.500 175.628 -0.128 1
1 486 . 10 1 1 A 44 44 LEU CA C 44 53.400 53.441 -0.041 1
1 487 . 10 1 1 A 44 44 LEU CB C 44 42.800 42.800 0.000 1
1 491 . 10 1 1 A 44 44 LEU N N 44 130.200 128.848 1.352 1
1 492 . 10 1 1 A 45 45 LYS H H 45 8.520 8.681 -0.161 1
1 493 . 10 1 1 A 45 45 LYS HA H 45 4.830 4.542 0.288 1
1 502 . 10 1 1 A 45 45 LYS C C 45 175.600 176.517 -0.917 1
1 503 . 10 1 1 A 45 45 LYS CA C 45 55.700 55.743 -0.043 1
1 504 . 10 1 1 A 45 45 LYS CB C 45 33.500 33.398 0.102 1
1 508 . 10 1 1 A 45 45 LYS N N 45 123.700 124.244 -0.544 1
1 509 . 10 1 1 A 46 46 ALA H H 46 8.220 8.830 -0.610 1
1 510 . 10 1 1 A 46 46 ALA HA H 46 4.540 4.644 -0.104 1
1 514 . 10 1 1 A 46 46 ALA C C 46 176.900 178.481 -1.581 1
1 515 . 10 1 1 A 46 46 ALA CA C 46 51.900 50.141 1.759 1
1 516 . 10 1 1 A 46 46 ALA CB C 46 20.700 20.220 0.480 1
1 517 . 10 1 1 A 46 46 ALA N N 46 126.400 126.915 -0.515 1
1 518 . 10 1 1 A 47 47 CYS H H 47 9.200 8.635 0.565 1
1 519 . 10 1 1 A 47 47 CYS HA H 47 4.080 4.135 -0.055 1
1 522 . 10 1 1 A 47 47 CYS C C 47 175.100 175.849 -0.749 1
1 523 . 10 1 1 A 47 47 CYS CA C 47 59.700 61.855 -2.155 1
1 524 . 10 1 1 A 47 47 CYS CB C 47 25.800 27.435 -1.635 1
1 525 . 10 1 1 A 47 47 CYS N N 47 120.400 116.504 3.896 1
1 526 . 10 1 1 A 48 48 GLY H H 48 8.620 7.712 0.908 1
1 527 . 10 1 1 A 48 48 GLY HA2 H 48 3.670 4.065 -0.395 1
1 528 . 10 1 1 A 48 48 GLY HA3 H 48 4.070 4.066 0.004 1
1 529 . 10 1 1 A 48 48 GLY C C 48 173.100 173.096 0.004 1
1 530 . 10 1 1 A 48 48 GLY CA C 48 45.500 45.668 -0.168 1
1 531 . 10 1 1 A 48 48 GLY N N 48 109.000 107.096 1.904 1
1 532 . 10 1 1 A 49 49 ALA H H 49 7.820 7.698 0.122 1
1 533 . 10 1 1 A 49 49 ALA HA H 49 4.620 4.836 -0.216 1
1 537 . 10 1 1 A 49 49 ALA C C 49 176.000 175.270 0.730 1
1 538 . 10 1 1 A 49 49 ALA CA C 49 51.000 51.341 -0.341 1
1 539 . 10 1 1 A 49 49 ALA CB C 49 21.300 23.400 -2.100 1
1 540 . 10 1 1 A 49 49 ALA N N 49 124.000 120.960 3.040 1
1 541 . 10 1 1 A 50 50 VAL H H 50 8.100 8.490 -0.390 1
1 542 . 10 1 1 A 50 50 VAL HA H 50 4.560 4.537 0.023 1
1 550 . 10 1 1 A 50 50 VAL C C 50 174.300 174.080 0.220 1
1 551 . 10 1 1 A 50 50 VAL CA C 50 61.400 61.143 0.257 1
1 552 . 10 1 1 A 50 50 VAL CB C 50 33.800 33.730 0.070 1
1 555 . 10 1 1 A 50 50 VAL N N 50 119.600 119.279 0.321 1
1 556 . 10 1 1 A 51 51 ASP H H 51 8.640 9.223 -0.583 1
1 557 . 10 1 1 A 51 51 ASP HA H 51 5.030 5.208 -0.178 1
1 560 . 10 1 1 A 51 51 ASP C C 51 173.000 174.564 -1.564 1
1 561 . 10 1 1 A 51 51 ASP CA C 51 52.000 53.599 -1.599 1
1 562 . 10 1 1 A 51 51 ASP CB C 51 43.900 41.815 2.085 1
1 563 . 10 1 1 A 51 51 ASP N N 51 124.900 127.803 -2.903 1
1 564 . 10 1 1 A 52 52 TYR H H 52 8.950 9.196 -0.246 1
1 565 . 10 1 1 A 52 52 TYR HA H 52 5.150 5.094 0.056 1
1 572 . 10 1 1 A 52 52 TYR C C 52 174.500 174.958 -0.458 1
1 573 . 10 1 1 A 52 52 TYR CA C 52 57.300 57.296 0.004 1
1 574 . 10 1 1 A 52 52 TYR CB C 52 41.200 38.252 2.948 1
1 579 . 10 1 1 A 52 52 TYR N N 52 118.500 124.152 -5.652 1
1 580 . 10 1 1 A 53 53 PHE H H 53 9.250 8.516 0.734 1
1 581 . 10 1 1 A 53 53 PHE HA H 53 5.040 4.993 0.047 1
1 588 . 10 1 1 A 53 53 PHE C C 53 173.200 174.403 -1.203 1
1 589 . 10 1 1 A 53 53 PHE CA C 53 56.400 57.787 -1.387 1
1 590 . 10 1 1 A 53 53 PHE CB C 53 44.300 41.988 2.312 1
1 595 . 10 1 1 A 53 53 PHE N N 53 123.100 124.580 -1.480 1
1 596 . 10 1 1 A 54 54 CYS H H 54 9.160 8.789 0.371 1
1 597 . 10 1 1 A 54 54 CYS HA H 54 4.690 4.443 0.247 1
1 600 . 10 1 1 A 54 54 CYS C C 54 175.700 174.774 0.926 1
1 601 . 10 1 1 A 54 54 CYS CA C 54 58.200 58.032 0.168 1
1 602 . 10 1 1 A 54 54 CYS CB C 54 29.600 25.927 3.673 1
1 603 . 10 1 1 A 54 54 CYS N N 54 130.800 126.436 4.364 1
1 604 . 10 1 1 A 55 55 GLN H H 55 9.260 8.558 0.702 1
1 605 . 10 1 1 A 55 55 GLN HA H 55 4.300 4.095 0.205 1
1 610 . 10 1 1 A 55 55 GLN C C 55 174.400 177.092 -2.692 1
1 611 . 10 1 1 A 55 55 GLN CA C 55 56.900 58.445 -1.545 1
1 612 . 10 1 1 A 55 55 GLN CB C 55 28.900 29.081 -0.181 1
1 614 . 10 1 1 A 55 55 GLN N N 55 129.000 126.912 2.088 1
1 615 . 10 1 1 A 56 56 ASN H H 56 9.100 8.187 0.913 1
1 616 . 10 1 1 A 56 56 ASN HA H 56 4.860 5.018 -0.158 1
1 619 . 10 1 1 A 56 56 ASN C C 56 174.100 177.042 -2.942 1
1 620 . 10 1 1 A 56 56 ASN CA C 56 52.100 53.295 -1.195 1
1 621 . 10 1 1 A 56 56 ASN CB C 56 39.500 40.663 -1.163 1
1 622 . 10 1 1 A 56 56 ASN N N 56 122.300 113.768 8.532 1
1 623 . 10 1 1 A 57 57 GLY H H 57 7.180 8.103 -0.923 1
1 624 . 10 1 1 A 57 57 GLY HA2 H 57 3.450 3.970 -0.520 1
1 625 . 10 1 1 A 57 57 GLY HA3 H 57 4.000 3.975 0.025 1
1 626 . 10 1 1 A 57 57 GLY C C 57 175.800 174.281 1.519 1
1 627 . 10 1 1 A 57 57 GLY CA C 57 45.100 45.422 -0.322 1
1 628 . 10 1 1 A 57 57 GLY N N 57 104.200 107.483 -3.283 1
1 629 . 10 1 1 A 58 58 HIS H H 58 7.380 7.696 -0.316 1
1 630 . 10 1 1 A 58 58 HIS HA H 58 4.620 4.680 -0.060 1
1 633 . 10 1 1 A 58 58 HIS C C 58 174.100 174.358 -0.258 1
1 634 . 10 1 1 A 58 58 HIS CA C 58 59.600 56.967 2.633 1
1 635 . 10 1 1 A 58 58 HIS CB C 58 30.100 31.699 -1.599 1
1 636 . 10 1 1 A 58 58 HIS N N 58 116.000 117.803 -1.803 1
1 637 . 10 1 1 A 59 59 GLY H H 59 7.610 6.896 0.714 1
1 638 . 10 1 1 A 59 59 GLY HA2 H 59 2.930 3.779 -0.849 1
1 639 . 10 1 1 A 59 59 GLY HA3 H 59 3.700 3.849 -0.149 1
1 640 . 10 1 1 A 59 59 GLY C C 59 173.100 172.978 0.122 1
1 641 . 10 1 1 A 59 59 GLY CA C 59 45.500 44.378 1.122 1
1 642 . 10 1 1 A 59 59 GLY N N 59 108.000 105.704 2.296 1
1 643 . 10 1 1 A 60 60 LEU H H 60 8.450 8.287 0.163 1
1 644 . 10 1 1 A 60 60 LEU HA H 60 4.620 3.428 1.192 1
1 654 . 10 1 1 A 60 60 LEU C C 60 176.800 175.782 1.018 1
1 655 . 10 1 1 A 60 60 LEU CA C 60 55.700 54.743 0.957 1
1 656 . 10 1 1 A 60 60 LEU CB C 60 42.200 42.353 -0.153 1
1 660 . 10 1 1 A 60 60 LEU N N 60 124.300 118.984 5.316 1
1 661 . 10 1 1 A 61 61 ILE H H 61 8.740 7.942 0.798 1
1 662 . 10 1 1 A 61 61 ILE HA H 61 4.200 4.461 -0.261 1
1 672 . 10 1 1 A 61 61 ILE C C 61 175.500 175.301 0.199 1
1 673 . 10 1 1 A 61 61 ILE CA C 61 57.000 59.587 -2.587 1
1 674 . 10 1 1 A 61 61 ILE CB C 61 37.400 39.528 -2.128 1
1 678 . 10 1 1 A 61 61 ILE N N 61 128.500 123.275 5.225 1
1 679 . 10 1 1 A 62 62 SER H H 62 8.490 8.608 -0.118 1
1 680 . 10 1 1 A 62 62 SER HA H 62 4.380 4.433 -0.053 1
1 683 . 10 1 1 A 62 62 SER C C 62 176.500 176.327 0.173 1
1 684 . 10 1 1 A 62 62 SER CA C 62 58.300 58.766 -0.466 1
1 685 . 10 1 1 A 62 62 SER CB C 62 63.500 63.366 0.134 1
1 686 . 10 1 1 A 62 62 SER N N 62 121.700 120.595 1.105 1
1 687 . 10 1 1 A 63 63 LYS H H 63 9.040 9.229 -0.189 1
1 688 . 10 1 1 A 63 63 LYS HA H 63 3.910 4.289 -0.379 1
1 697 . 10 1 1 A 63 63 LYS C C 63 178.200 177.902 0.298 1
1 698 . 10 1 1 A 63 63 LYS CA C 63 60.300 58.599 1.701 1
1 699 . 10 1 1 A 63 63 LYS CB C 63 32.000 32.126 -0.126 1
1 703 . 10 1 1 A 63 63 LYS N N 63 126.000 130.249 -4.249 1
1 704 . 10 1 1 A 64 64 LYS H H 64 8.090 7.965 0.125 1
1 705 . 10 1 1 A 64 64 LYS HA H 64 4.190 4.237 -0.047 1
1 714 . 10 1 1 A 64 64 LYS C C 64 177.000 177.572 -0.572 1
1 715 . 10 1 1 A 64 64 LYS CA C 64 58.000 57.684 0.316 1
1 716 . 10 1 1 A 64 64 LYS CB C 64 32.300 32.121 0.179 1
1 720 . 10 1 1 A 64 64 LYS N N 64 115.400 118.485 -3.085 1
1 721 . 10 1 1 A 65 65 ARG H H 65 7.960 7.943 0.017 1
1 722 . 10 1 1 A 65 65 ARG HA H 65 4.280 4.438 -0.158 1
1 729 . 10 1 1 A 65 65 ARG C C 65 176.000 175.466 0.534 1
1 730 . 10 1 1 A 65 65 ARG CA C 65 55.900 55.149 0.751 1
1 731 . 10 1 1 A 65 65 ARG CB C 65 32.000 30.639 1.361 1
1 734 . 10 1 1 A 65 65 ARG N N 65 116.600 116.951 -0.351 1
1 735 . 10 1 1 A 66 66 VAL H H 66 6.810 7.335 -0.525 1
1 736 . 10 1 1 A 66 66 VAL HA H 66 2.800 4.010 -1.210 1
1 744 . 10 1 1 A 66 66 VAL C C 66 174.500 174.888 -0.388 1
1 745 . 10 1 1 A 66 66 VAL CA C 66 65.000 62.260 2.740 1
1 746 . 10 1 1 A 66 66 VAL CB C 66 32.000 31.033 0.967 1
1 749 . 10 1 1 A 66 66 VAL N N 66 119.600 120.847 -1.247 1
1 750 . 10 1 1 A 67 67 ASN H H 67 7.270 8.521 -1.251 1
1 751 . 10 1 1 A 67 67 ASN HA H 67 4.840 4.773 0.067 1
1 756 . 10 1 1 A 67 67 ASN C C 67 173.200 174.181 -0.981 1
1 757 . 10 1 1 A 67 67 ASN CA C 67 51.200 53.011 -1.811 1
1 758 . 10 1 1 A 67 67 ASN CB C 67 39.100 37.857 1.243 1
1 759 . 10 1 1 A 67 67 ASN N N 67 123.500 126.141 -2.641 1
1 761 . 10 1 1 A 68 68 PHE H H 68 8.180 8.108 0.072 1
1 762 . 10 1 1 A 68 68 PHE HA H 68 5.170 5.038 0.132 1
1 770 . 10 1 1 A 68 68 PHE C C 68 175.300 175.596 -0.296 1
1 771 . 10 1 1 A 68 68 PHE CA C 68 58.000 58.270 -0.270 1
1 772 . 10 1 1 A 68 68 PHE CB C 68 41.100 38.877 2.223 1
1 778 . 10 1 1 A 68 68 PHE N N 68 123.300 124.433 -1.133 1
1 779 . 10 1 1 A 69 69 VAL H H 69 8.660 9.115 -0.455 1
1 780 . 10 1 1 A 69 69 VAL HA H 69 4.520 4.959 -0.439 1
1 788 . 10 1 1 A 69 69 VAL C C 69 175.100 174.669 0.431 1
1 789 . 10 1 1 A 69 69 VAL CA C 69 59.200 59.942 -0.742 1
1 790 . 10 1 1 A 69 69 VAL CB C 69 35.100 34.296 0.804 1
1 793 . 10 1 1 A 69 69 VAL N N 69 116.500 118.849 -2.349 1
1 794 . 10 1 1 A 70 70 ILE H H 70 8.480 8.427 0.053 1
1 795 . 10 1 1 A 70 70 ILE HA H 70 4.350 4.893 -0.543 1
1 805 . 10 1 1 A 70 70 ILE C C 70 176.400 174.807 1.593 1
1 806 . 10 1 1 A 70 70 ILE CA C 70 61.300 60.075 1.225 1
1 807 . 10 1 1 A 70 70 ILE CB C 70 38.200 38.611 -0.411 1
1 811 . 10 1 1 A 70 70 ILE N N 70 123.100 122.758 0.342 1
1 812 . 10 1 1 A 71 71 SER H H 71 8.770 8.913 -0.143 1
1 813 . 10 1 1 A 71 71 SER HA H 71 4.550 5.124 -0.574 1
1 816 . 10 1 1 A 71 71 SER C C 71 174.200 174.143 0.057 1
1 817 . 10 1 1 A 71 71 SER CA C 71 57.700 58.231 -0.531 1
1 818 . 10 1 1 A 71 71 SER CB C 71 64.100 63.976 0.124 1
1 819 . 10 1 1 A 71 71 SER N N 71 122.200 126.010 -3.810 1
1 820 . 10 1 1 A 72 72 ASP H H 72 8.470 8.629 -0.159 1
1 821 . 10 1 1 A 72 72 ASP HA H 72 4.720 5.054 -0.334 1
1 824 . 10 1 1 A 72 72 ASP C C 72 176.100 177.493 -1.393 1
1 825 . 10 1 1 A 72 72 ASP CA C 72 54.200 53.343 0.857 1
1 826 . 10 1 1 A 72 72 ASP CB C 72 41.200 41.476 -0.276 1
1 827 . 10 1 1 A 72 72 ASP N N 72 122.700 123.084 -0.384 1
1 828 . 10 1 1 A 73 73 GLN H H 73 8.490 7.903 0.587 1
1 829 . 10 1 1 A 73 73 GLN HA H 73 4.310 4.217 0.093 1
1 834 . 10 1 1 A 73 73 GLN C C 73 176.000 176.613 -0.613 1
1 835 . 10 1 1 A 73 73 GLN CA C 73 56.100 58.242 -2.142 1
1 836 . 10 1 1 A 73 73 GLN CB C 73 29.200 28.829 0.371 1
1 838 . 10 1 1 A 73 73 GLN N N 73 120.300 118.234 2.066 1
1 839 . 10 1 1 A 74 74 LEU H H 74 8.250 7.851 0.399 1
1 840 . 10 1 1 A 74 74 LEU HA H 74 4.250 4.116 0.134 1
1 850 . 10 1 1 A 74 74 LEU C C 74 177.100 175.381 1.719 1
1 851 . 10 1 1 A 74 74 LEU CA C 74 55.200 56.871 -1.671 1
1 852 . 10 1 1 A 74 74 LEU CB C 74 42.100 40.557 1.543 1
1 856 . 10 1 1 A 74 74 LEU N N 74 123.000 118.705 4.295 1
1 857 . 10 1 1 A 75 75 GLU H H 75 8.260 8.386 -0.126 1
1 858 . 10 1 1 A 75 75 GLU HA H 75 4.170 4.355 -0.185 1
1 863 . 10 1 1 A 75 75 GLU C C 75 176.200 176.081 0.119 1
1 864 . 10 1 1 A 75 75 GLU CA C 75 56.300 54.876 1.424 1
1 865 . 10 1 1 A 75 75 GLU CB C 75 29.800 27.899 1.901 1
1 867 . 10 1 1 A 75 75 GLU N N 75 120.700 121.208 -0.508 1
1 868 . 10 1 1 A 76 76 HIS H H 76 8.480 8.498 -0.018 1
1 869 . 10 1 1 A 76 76 HIS HA H 76 4.610 4.645 -0.035 1
1 872 . 10 1 1 A 76 76 HIS C C 76 174.200 176.062 -1.862 1
1 873 . 10 1 1 A 76 76 HIS CA C 76 55.100 57.226 -2.126 1
1 874 . 10 1 1 A 76 76 HIS CB C 76 28.700 31.652 -2.952 1
1 875 . 10 1 1 A 76 76 HIS N N 76 119.100 122.118 -3.018 1
1 876 . 10 1 1 A 77 77 HIS H H 77 8.540 7.886 0.654 1
1 877 . 10 1 1 A 77 77 HIS HA H 77 4.620 4.811 -0.191 1
1 880 . 10 1 1 A 77 77 HIS C C 77 174.100 174.696 -0.596 1
1 881 . 10 1 1 A 77 77 HIS CA C 77 55.300 55.492 -0.192 1
1 882 . 10 1 1 A 77 77 HIS CB C 77 28.900 30.349 -1.449 1
1 883 . 10 1 1 A 77 77 HIS N N 77 118.700 114.905 3.795 1
1 884 . 10 1 1 A 78 78 HIS H H 78 8.630 8.320 0.310 1
1 885 . 10 1 1 A 78 78 HIS HA H 78 4.660 4.506 0.154 1
1 888 . 10 1 1 A 78 78 HIS C C 78 174.100 173.709 0.391 1
1 889 . 10 1 1 A 78 78 HIS CA C 78 55.200 58.186 -2.986 1
1 890 . 10 1 1 A 78 78 HIS CB C 78 29.100 28.471 0.629 1
1 891 . 10 1 1 A 78 78 HIS N N 78 119.500 117.461 2.039 1
1 892 . 10 1 1 A 79 79 HIS H H 79 8.690 8.885 -0.195 1
1 893 . 10 1 1 A 79 79 HIS HA H 79 4.660 4.838 -0.178 1
1 896 . 10 1 1 A 79 79 HIS C C 79 173.900 174.072 -0.172 1
1 897 . 10 1 1 A 79 79 HIS CA C 79 55.200 55.081 0.119 1
1 898 . 10 1 1 A 79 79 HIS CB C 79 29.100 28.800 0.300 1
1 899 . 10 1 1 A 79 79 HIS N N 79 120.400 119.777 0.623 1
1 900 . 10 1 1 A 80 80 HIS H H 80 8.590 9.071 -0.481 1
1 901 . 10 1 1 A 80 80 HIS HA H 80 4.630 4.785 -0.155 1
1 904 . 10 1 1 A 80 80 HIS C C 80 173.400 173.903 -0.503 1
1 905 . 10 1 1 A 80 80 HIS CA C 80 55.400 55.512 -0.112 1
1 906 . 10 1 1 A 80 80 HIS CB C 80 29.300 30.795 -1.495 1
1 907 . 10 1 1 A 80 80 HIS N N 80 120.600 124.941 -4.341 1
1 7 . 11 1 1 A 2 2 GLU H H 2 8.850 9.079 -0.229 1
1 8 . 11 1 1 A 2 2 GLU HA H 2 4.450 4.757 -0.307 1
1 13 . 11 1 1 A 2 2 GLU C C 2 175.400 176.157 -0.757 1
1 14 . 11 1 1 A 2 2 GLU CA C 2 55.900 54.547 1.353 1
1 15 . 11 1 1 A 2 2 GLU CB C 2 30.300 31.493 -1.193 1
1 17 . 11 1 1 A 2 2 GLU N N 2 123.600 123.741 -0.141 1
1 18 . 11 1 1 A 3 3 ILE H H 3 8.590 8.371 0.219 1
1 19 . 11 1 1 A 3 3 ILE HA H 3 4.310 4.322 -0.012 1
1 29 . 11 1 1 A 3 3 ILE C C 3 175.100 175.209 -0.109 1
1 30 . 11 1 1 A 3 3 ILE CA C 3 60.700 60.814 -0.114 1
1 31 . 11 1 1 A 3 3 ILE CB C 3 39.500 38.726 0.774 1
1 35 . 11 1 1 A 3 3 ILE N N 3 122.100 119.950 2.150 1
1 36 . 11 1 1 A 4 4 THR H H 4 8.130 8.790 -0.660 1
1 37 . 11 1 1 A 4 4 THR HA H 4 4.540 4.784 -0.244 1
1 42 . 11 1 1 A 4 4 THR C C 4 173.000 172.583 0.417 1
1 43 . 11 1 1 A 4 4 THR CA C 4 59.700 60.308 -0.608 1
1 44 . 11 1 1 A 4 4 THR CB C 4 71.400 71.568 -0.168 1
1 46 . 11 1 1 A 4 4 THR N N 4 116.800 120.004 -3.204 1
1 47 . 11 1 1 A 5 5 CYS H H 5 8.700 8.329 0.371 1
1 48 . 11 1 1 A 5 5 CYS HA H 5 3.960 4.555 -0.595 1
1 51 . 11 1 1 A 5 5 CYS CA C 5 56.800 57.656 -0.856 1
1 52 . 11 1 1 A 5 5 CYS CB C 5 32.000 27.605 4.395 1
1 53 . 11 1 1 A 5 5 CYS N N 5 125.600 126.288 -0.688 1
1 54 . 11 1 1 A 6 6 PRO HA H 6 4.260 4.412 -0.152 1
1 61 . 11 1 1 A 6 6 PRO C C 6 176.000 178.646 -2.646 1
1 62 . 11 1 1 A 6 6 PRO CA C 6 63.900 65.909 -2.009 1
1 63 . 11 1 1 A 6 6 PRO CB C 6 32.100 31.602 0.498 1
1 66 . 11 1 1 A 7 7 VAL H H 7 9.210 8.204 1.006 1
1 67 . 11 1 1 A 7 7 VAL HA H 7 3.820 4.051 -0.231 1
1 75 . 11 1 1 A 7 7 VAL CA C 7 64.900 64.491 0.409 1
1 76 . 11 1 1 A 7 7 VAL CB C 7 32.200 31.321 0.879 1
1 79 . 11 1 1 A 7 7 VAL N N 7 122.500 115.028 7.472 1
1 80 . 11 1 1 A 8 8 CYS HA H 8 4.560 4.732 -0.172 1
1 83 . 11 1 1 A 8 8 CYS C C 8 176.800 174.511 2.289 1
1 84 . 11 1 1 A 8 8 CYS CA C 8 58.900 58.145 0.755 1
1 85 . 11 1 1 A 8 8 CYS CB C 8 32.000 27.520 4.480 1
1 86 . 11 1 1 A 9 9 HIS H H 9 7.550 8.137 -0.587 1
1 87 . 11 1 1 A 9 9 HIS HA H 9 4.470 4.749 -0.279 1
1 91 . 11 1 1 A 9 9 HIS CA C 9 56.900 58.102 -1.202 1
1 92 . 11 1 1 A 9 9 HIS CB C 9 25.900 30.530 -4.630 1
1 94 . 11 1 1 A 9 9 HIS N N 9 115.000 121.890 -6.890 1
1 95 . 11 1 1 A 10 10 HIS HA H 10 4.790 4.562 0.228 1
1 100 . 11 1 1 A 10 10 HIS C C 10 174.700 173.956 0.744 1
1 101 . 11 1 1 A 10 10 HIS CA C 10 55.700 56.959 -1.259 1
1 102 . 11 1 1 A 10 10 HIS CB C 10 29.800 31.692 -1.892 1
1 105 . 11 1 1 A 11 11 ALA H H 11 8.790 7.698 1.092 1
1 106 . 11 1 1 A 11 11 ALA HA H 11 4.310 4.315 -0.005 1
1 110 . 11 1 1 A 11 11 ALA C C 11 177.800 175.179 2.621 1
1 111 . 11 1 1 A 11 11 ALA CA C 11 53.400 51.577 1.823 1
1 112 . 11 1 1 A 11 11 ALA CB C 11 18.600 21.537 -2.937 1
1 113 . 11 1 1 A 11 11 ALA N N 11 124.500 118.672 5.828 1
1 114 . 11 1 1 A 12 12 LEU H H 12 8.480 8.227 0.253 1
1 115 . 11 1 1 A 12 12 LEU HA H 12 4.640 4.965 -0.325 1
1 125 . 11 1 1 A 12 12 LEU C C 12 176.900 175.157 1.743 1
1 126 . 11 1 1 A 12 12 LEU CA C 12 53.500 53.555 -0.055 1
1 127 . 11 1 1 A 12 12 LEU CB C 12 44.100 46.397 -2.297 1
1 131 . 11 1 1 A 12 12 LEU N N 12 121.200 118.766 2.434 1
1 132 . 11 1 1 A 13 13 GLU H H 13 8.600 9.101 -0.501 1
1 133 . 11 1 1 A 13 13 GLU HA H 13 4.590 4.883 -0.293 1
1 138 . 11 1 1 A 13 13 GLU C C 13 175.700 175.425 0.275 1
1 139 . 11 1 1 A 13 13 GLU CA C 13 54.700 54.980 -0.280 1
1 140 . 11 1 1 A 13 13 GLU CB C 13 30.200 31.337 -1.137 1
1 142 . 11 1 1 A 13 13 GLU N N 13 120.300 124.065 -3.765 1
1 143 . 11 1 1 A 14 14 ARG H H 14 9.010 8.654 0.356 1
1 144 . 11 1 1 A 14 14 ARG HA H 14 4.460 4.610 -0.150 1
1 151 . 11 1 1 A 14 14 ARG C C 14 174.900 176.306 -1.406 1
1 152 . 11 1 1 A 14 14 ARG CA C 14 56.400 56.023 0.377 1
1 153 . 11 1 1 A 14 14 ARG CB C 14 31.800 30.233 1.567 1
1 156 . 11 1 1 A 14 14 ARG N N 14 126.500 125.162 1.338 1
1 157 . 11 1 1 A 15 15 ASN H H 15 8.670 9.231 -0.561 1
1 158 . 11 1 1 A 15 15 ASN HA H 15 4.850 4.918 -0.068 1
1 161 . 11 1 1 A 15 15 ASN C C 15 174.900 175.533 -0.633 1
1 162 . 11 1 1 A 15 15 ASN CA C 15 52.100 53.065 -0.965 1
1 163 . 11 1 1 A 15 15 ASN CB C 15 39.200 39.196 0.004 1
1 164 . 11 1 1 A 15 15 ASN N N 15 125.100 121.098 4.002 1
1 165 . 11 1 1 A 16 16 GLY H H 16 8.880 7.849 1.031 1
1 166 . 11 1 1 A 16 16 GLY HA2 H 16 3.570 3.858 -0.288 1
1 167 . 11 1 1 A 16 16 GLY HA3 H 16 4.000 3.909 0.091 1
1 168 . 11 1 1 A 16 16 GLY C C 16 173.700 174.222 -0.522 1
1 169 . 11 1 1 A 16 16 GLY CA C 16 47.200 45.339 1.861 1
1 170 . 11 1 1 A 16 16 GLY N N 16 114.400 107.215 7.185 1
1 171 . 11 1 1 A 17 17 ASP H H 17 8.600 8.428 0.172 1
1 172 . 11 1 1 A 17 17 ASP HA H 17 4.600 4.502 0.098 1
1 175 . 11 1 1 A 17 17 ASP C C 17 174.800 175.957 -1.157 1
1 176 . 11 1 1 A 17 17 ASP CA C 17 53.800 55.477 -1.677 1
1 177 . 11 1 1 A 17 17 ASP CB C 17 40.200 41.305 -1.105 1
1 178 . 11 1 1 A 17 17 ASP N N 17 126.400 119.558 6.842 1
1 179 . 11 1 1 A 18 18 THR H H 18 7.710 7.992 -0.282 1
1 180 . 11 1 1 A 18 18 THR HA H 18 5.120 5.086 0.034 1
1 185 . 11 1 1 A 18 18 THR C C 18 171.900 172.718 -0.818 1
1 186 . 11 1 1 A 18 18 THR CA C 18 60.400 59.510 0.890 1
1 187 . 11 1 1 A 18 18 THR CB C 18 72.300 72.312 -0.012 1
1 189 . 11 1 1 A 18 18 THR N N 18 112.300 109.132 3.168 1
1 190 . 11 1 1 A 19 19 ALA H H 19 9.090 9.444 -0.354 1
1 191 . 11 1 1 A 19 19 ALA HA H 19 5.250 5.108 0.142 1
1 195 . 11 1 1 A 19 19 ALA C C 19 175.000 175.862 -0.862 1
1 196 . 11 1 1 A 19 19 ALA CA C 19 50.300 50.194 0.106 1
1 197 . 11 1 1 A 19 19 ALA CB C 19 23.900 20.788 3.112 1
1 198 . 11 1 1 A 19 19 ALA N N 19 123.300 123.946 -0.646 1
1 199 . 11 1 1 A 20 20 HIS H H 20 9.130 9.363 -0.233 1
1 200 . 11 1 1 A 20 20 HIS HA H 20 5.550 4.973 0.577 1
1 205 . 11 1 1 A 20 20 HIS C C 20 173.100 174.958 -1.858 1
1 206 . 11 1 1 A 20 20 HIS CA C 20 54.700 55.541 -0.841 1
1 207 . 11 1 1 A 20 20 HIS CB C 20 31.900 32.068 -0.168 1
1 210 . 11 1 1 A 20 20 HIS N N 20 120.000 125.398 -5.398 1
1 211 . 11 1 1 A 21 21 CYS H H 21 8.910 8.834 0.076 1
1 212 . 11 1 1 A 21 21 CYS HA H 21 4.700 4.424 0.276 1
1 215 . 11 1 1 A 21 21 CYS C C 21 176.400 174.958 1.442 1
1 216 . 11 1 1 A 21 21 CYS CA C 21 57.900 58.768 -0.868 1
1 217 . 11 1 1 A 21 21 CYS CB C 21 31.700 27.963 3.737 1
1 218 . 11 1 1 A 21 21 CYS N N 21 129.200 124.493 4.707 1
1 219 . 11 1 1 A 22 22 GLU H H 22 9.030 9.090 -0.060 1
1 220 . 11 1 1 A 22 22 GLU HA H 22 4.130 4.322 -0.192 1
1 225 . 11 1 1 A 22 22 GLU C C 22 177.400 177.953 -0.553 1
1 226 . 11 1 1 A 22 22 GLU CA C 22 58.200 59.141 -0.941 1
1 227 . 11 1 1 A 22 22 GLU CB C 22 29.500 30.414 -0.914 1
1 229 . 11 1 1 A 22 22 GLU N N 22 128.800 123.786 5.014 1
1 230 . 11 1 1 A 23 23 THR H H 23 8.360 7.743 0.617 1
1 231 . 11 1 1 A 23 23 THR HA H 23 3.920 4.378 -0.458 1
1 236 . 11 1 1 A 23 23 THR C C 23 176.500 174.088 2.412 1
1 237 . 11 1 1 A 23 23 THR CA C 23 66.800 62.427 4.373 1
1 238 . 11 1 1 A 23 23 THR CB C 23 69.100 69.327 -0.227 1
1 240 . 11 1 1 A 23 23 THR N N 23 119.800 112.373 7.427 1
1 241 . 11 1 1 A 24 24 CYS H H 24 9.570 7.594 1.976 1
1 242 . 11 1 1 A 24 24 CYS HA H 24 3.880 4.751 -0.871 1
1 245 . 11 1 1 A 24 24 CYS C C 24 174.900 173.470 1.430 1
1 246 . 11 1 1 A 24 24 CYS CA C 24 62.000 57.123 4.877 1
1 247 . 11 1 1 A 24 24 CYS CB C 24 30.300 29.622 0.678 1
1 248 . 11 1 1 A 24 24 CYS N N 24 123.600 118.733 4.867 1
1 249 . 11 1 1 A 25 25 ALA H H 25 7.720 8.405 -0.685 1
1 250 . 11 1 1 A 25 25 ALA HA H 25 3.820 4.264 -0.444 1
1 254 . 11 1 1 A 25 25 ALA C C 25 175.400 176.174 -0.774 1
1 255 . 11 1 1 A 25 25 ALA CA C 25 52.500 51.520 0.980 1
1 256 . 11 1 1 A 25 25 ALA CB C 25 16.000 17.438 -1.438 1
1 257 . 11 1 1 A 25 25 ALA N N 25 121.400 126.395 -4.995 1
1 258 . 11 1 1 A 26 26 LYS H H 26 6.910 7.705 -0.795 1
1 259 . 11 1 1 A 26 26 LYS HA H 26 4.450 4.686 -0.236 1
1 268 . 11 1 1 A 26 26 LYS CA C 26 54.600 54.595 0.005 1
1 269 . 11 1 1 A 26 26 LYS CB C 26 37.900 36.260 1.640 1
1 273 . 11 1 1 A 26 26 LYS N N 26 116.100 119.864 -3.764 1
1 274 . 11 1 1 A 27 27 ASP HA H 27 5.610 5.329 0.281 1
1 277 . 11 1 1 A 27 27 ASP C C 27 174.400 174.882 -0.482 1
1 278 . 11 1 1 A 27 27 ASP CA C 27 53.000 52.703 0.297 1
1 279 . 11 1 1 A 27 27 ASP CB C 27 44.200 44.294 -0.094 1
1 280 . 11 1 1 A 28 28 PHE H H 28 9.200 9.418 -0.218 1
1 281 . 11 1 1 A 28 28 PHE HA H 28 4.890 4.940 -0.050 1
1 289 . 11 1 1 A 28 28 PHE C C 28 175.500 175.843 -0.343 1
1 290 . 11 1 1 A 28 28 PHE CA C 28 56.800 57.148 -0.348 1
1 291 . 11 1 1 A 28 28 PHE CB C 28 42.900 40.795 2.105 1
1 297 . 11 1 1 A 28 28 PHE N N 28 118.100 123.269 -5.169 1
1 298 . 11 1 1 A 29 29 SER H H 29 9.070 8.960 0.110 1
1 299 . 11 1 1 A 29 29 SER HA H 29 4.750 4.813 -0.063 1
1 302 . 11 1 1 A 29 29 SER C C 29 173.400 174.092 -0.692 1
1 303 . 11 1 1 A 29 29 SER CA C 29 58.400 58.793 -0.393 1
1 304 . 11 1 1 A 29 29 SER CB C 29 64.100 63.784 0.316 1
1 305 . 11 1 1 A 29 29 SER N N 29 118.400 119.789 -1.389 1
1 306 . 11 1 1 A 30 30 LEU H H 30 8.180 8.772 -0.592 1
1 307 . 11 1 1 A 30 30 LEU HA H 30 5.200 5.053 0.147 1
1 317 . 11 1 1 A 30 30 LEU CA C 30 53.100 53.632 -0.532 1
1 318 . 11 1 1 A 30 30 LEU CB C 30 44.800 43.929 0.871 1
1 322 . 11 1 1 A 30 30 LEU N N 30 122.200 127.068 -4.868 1
1 323 . 11 1 1 A 31 31 GLN HA H 31 4.680 5.074 -0.394 1
1 328 . 11 1 1 A 31 31 GLN C C 31 173.600 175.276 -1.676 1
1 329 . 11 1 1 A 31 31 GLN CA C 31 54.200 53.805 0.395 1
1 330 . 11 1 1 A 31 31 GLN CB C 31 31.800 32.109 -0.309 1
1 332 . 11 1 1 A 32 32 ALA H H 32 8.560 8.689 -0.129 1
1 333 . 11 1 1 A 32 32 ALA HA H 32 3.990 4.818 -0.828 1
1 337 . 11 1 1 A 32 32 ALA C C 32 175.600 177.071 -1.471 1
1 338 . 11 1 1 A 32 32 ALA CA C 32 50.900 52.358 -1.458 1
1 339 . 11 1 1 A 32 32 ALA CB C 32 20.300 19.089 1.211 1
1 340 . 11 1 1 A 32 32 ALA N N 32 128.100 128.518 -0.418 1
1 341 . 11 1 1 A 33 33 LEU H H 33 8.740 8.687 0.053 1
1 342 . 11 1 1 A 33 33 LEU HA H 33 4.560 4.903 -0.343 1
1 352 . 11 1 1 A 33 33 LEU C C 33 175.400 175.710 -0.310 1
1 353 . 11 1 1 A 33 33 LEU CA C 33 52.700 53.751 -1.051 1
1 354 . 11 1 1 A 33 33 LEU CB C 33 44.200 44.490 -0.290 1
1 358 . 11 1 1 A 33 33 LEU N N 33 124.500 124.800 -0.300 1
1 359 . 11 1 1 A 34 34 CYS H H 34 8.260 8.752 -0.492 1
1 360 . 11 1 1 A 34 34 CYS HA H 34 4.270 4.864 -0.594 1
1 363 . 11 1 1 A 34 34 CYS CA C 34 56.900 57.123 -0.223 1
1 364 . 11 1 1 A 34 34 CYS CB C 34 31.400 28.582 2.818 1
1 365 . 11 1 1 A 34 34 CYS N N 34 123.600 122.187 1.413 1
1 366 . 11 1 1 A 35 35 PRO HA H 35 4.290 4.329 -0.039 1
1 373 . 11 1 1 A 35 35 PRO C C 35 176.100 177.509 -1.409 1
1 374 . 11 1 1 A 35 35 PRO CA C 35 63.700 65.612 -1.912 1
1 375 . 11 1 1 A 35 35 PRO CB C 35 31.600 31.656 -0.056 1
1 378 . 11 1 1 A 36 36 ASP H H 36 8.980 8.521 0.459 1
1 379 . 11 1 1 A 36 36 ASP HA H 36 4.600 4.345 0.255 1
1 382 . 11 1 1 A 36 36 ASP C C 36 176.500 177.118 -0.618 1
1 383 . 11 1 1 A 36 36 ASP CA C 36 56.400 56.922 -0.522 1
1 384 . 11 1 1 A 36 36 ASP CB C 36 40.100 41.351 -1.251 1
1 385 . 11 1 1 A 36 36 ASP N N 36 122.200 116.794 5.406 1
1 386 . 11 1 1 A 37 37 CYS H H 37 7.840 7.964 -0.124 1
1 387 . 11 1 1 A 37 37 CYS HA H 37 5.000 4.527 0.473 1
1 390 . 11 1 1 A 37 37 CYS C C 37 175.400 173.129 2.271 1
1 391 . 11 1 1 A 37 37 CYS CA C 37 58.400 57.861 0.539 1
1 392 . 11 1 1 A 37 37 CYS CB C 37 32.300 27.521 4.779 1
1 393 . 11 1 1 A 37 37 CYS N N 37 116.000 114.521 1.479 1
1 394 . 11 1 1 A 38 38 ARG H H 38 7.880 8.679 -0.799 1
1 395 . 11 1 1 A 38 38 ARG HA H 38 4.050 4.912 -0.862 1
1 402 . 11 1 1 A 38 38 ARG C C 38 173.700 174.890 -1.190 1
1 403 . 11 1 1 A 38 38 ARG CA C 38 58.100 55.900 2.200 1
1 404 . 11 1 1 A 38 38 ARG CB C 38 27.400 29.627 -2.227 1
1 407 . 11 1 1 A 38 38 ARG N N 38 117.700 127.402 -9.702 1
1 408 . 11 1 1 A 39 39 GLN H H 39 7.720 8.221 -0.501 1
1 409 . 11 1 1 A 39 39 GLN HA H 39 4.710 4.741 -0.031 1
1 414 . 11 1 1 A 39 39 GLN CA C 39 53.900 53.675 0.225 1
1 415 . 11 1 1 A 39 39 GLN CB C 39 28.100 30.293 -2.193 1
1 417 . 11 1 1 A 39 39 GLN N N 39 117.500 123.225 -5.725 1
1 418 . 11 1 1 A 40 40 PRO HA H 40 4.570 4.437 0.133 1
1 425 . 11 1 1 A 40 40 PRO C C 40 176.600 176.462 0.138 1
1 426 . 11 1 1 A 40 40 PRO CA C 40 63.700 63.008 0.692 1
1 427 . 11 1 1 A 40 40 PRO CB C 40 31.900 32.473 -0.573 1
1 430 . 11 1 1 A 41 41 LEU H H 41 8.170 8.546 -0.376 1
1 431 . 11 1 1 A 41 41 LEU HA H 41 4.460 4.929 -0.469 1
1 441 . 11 1 1 A 41 41 LEU C C 41 177.200 175.118 2.082 1
1 442 . 11 1 1 A 41 41 LEU CA C 41 54.000 53.298 0.702 1
1 443 . 11 1 1 A 41 41 LEU CB C 41 43.200 44.181 -0.981 1
1 447 . 11 1 1 A 41 41 LEU N N 41 124.100 123.234 0.866 1
1 448 . 11 1 1 A 42 42 GLN H H 42 9.240 8.406 0.834 1
1 449 . 11 1 1 A 42 42 GLN HA H 42 4.490 4.565 -0.075 1
1 454 . 11 1 1 A 42 42 GLN C C 42 175.000 175.378 -0.378 1
1 455 . 11 1 1 A 42 42 GLN CA C 42 55.300 55.474 -0.174 1
1 456 . 11 1 1 A 42 42 GLN CB C 42 29.600 29.797 -0.197 1
1 458 . 11 1 1 A 42 42 GLN N N 42 122.100 120.458 1.642 1
1 459 . 11 1 1 A 43 43 VAL H H 43 8.600 8.601 -0.001 1
1 460 . 11 1 1 A 43 43 VAL HA H 43 4.260 4.062 0.198 1
1 468 . 11 1 1 A 43 43 VAL C C 43 175.500 175.553 -0.053 1
1 469 . 11 1 1 A 43 43 VAL CA C 43 62.100 62.749 -0.649 1
1 470 . 11 1 1 A 43 43 VAL CB C 43 32.000 31.171 0.829 1
1 473 . 11 1 1 A 43 43 VAL N N 43 126.400 126.883 -0.483 1
1 474 . 11 1 1 A 44 44 LEU H H 44 8.940 9.343 -0.403 1
1 475 . 11 1 1 A 44 44 LEU HA H 44 4.510 4.915 -0.405 1
1 485 . 11 1 1 A 44 44 LEU C C 44 175.500 175.957 -0.457 1
1 486 . 11 1 1 A 44 44 LEU CA C 44 53.400 53.417 -0.017 1
1 487 . 11 1 1 A 44 44 LEU CB C 44 42.800 43.507 -0.707 1
1 491 . 11 1 1 A 44 44 LEU N N 44 130.200 128.865 1.335 1
1 492 . 11 1 1 A 45 45 LYS H H 45 8.520 8.558 -0.038 1
1 493 . 11 1 1 A 45 45 LYS HA H 45 4.830 4.788 0.042 1
1 502 . 11 1 1 A 45 45 LYS C C 45 175.600 175.905 -0.305 1
1 503 . 11 1 1 A 45 45 LYS CA C 45 55.700 55.209 0.491 1
1 504 . 11 1 1 A 45 45 LYS CB C 45 33.500 33.898 -0.398 1
1 508 . 11 1 1 A 45 45 LYS N N 45 123.700 124.045 -0.345 1
1 509 . 11 1 1 A 46 46 ALA H H 46 8.220 8.444 -0.224 1
1 510 . 11 1 1 A 46 46 ALA HA H 46 4.540 4.683 -0.143 1
1 514 . 11 1 1 A 46 46 ALA C C 46 176.900 178.505 -1.605 1
1 515 . 11 1 1 A 46 46 ALA CA C 46 51.900 49.809 2.091 1
1 516 . 11 1 1 A 46 46 ALA CB C 46 20.700 22.339 -1.639 1
1 517 . 11 1 1 A 46 46 ALA N N 46 126.400 127.105 -0.705 1
1 518 . 11 1 1 A 47 47 CYS H H 47 9.200 8.714 0.486 1
1 519 . 11 1 1 A 47 47 CYS HA H 47 4.080 4.130 -0.050 1
1 522 . 11 1 1 A 47 47 CYS C C 47 175.100 175.947 -0.847 1
1 523 . 11 1 1 A 47 47 CYS CA C 47 59.700 61.654 -1.954 1
1 524 . 11 1 1 A 47 47 CYS CB C 47 25.800 27.408 -1.608 1
1 525 . 11 1 1 A 47 47 CYS N N 47 120.400 117.034 3.366 1
1 526 . 11 1 1 A 48 48 GLY H H 48 8.620 7.857 0.763 1
1 527 . 11 1 1 A 48 48 GLY HA2 H 48 3.670 4.088 -0.418 1
1 528 . 11 1 1 A 48 48 GLY HA3 H 48 4.070 4.088 -0.018 1
1 529 . 11 1 1 A 48 48 GLY C C 48 173.100 172.644 0.456 1
1 530 . 11 1 1 A 48 48 GLY CA C 48 45.500 45.656 -0.156 1
1 531 . 11 1 1 A 48 48 GLY N N 48 109.000 107.420 1.580 1
1 532 . 11 1 1 A 49 49 ALA H H 49 7.820 7.615 0.205 1
1 533 . 11 1 1 A 49 49 ALA HA H 49 4.620 4.818 -0.198 1
1 537 . 11 1 1 A 49 49 ALA C C 49 176.000 174.968 1.032 1
1 538 . 11 1 1 A 49 49 ALA CA C 49 51.000 51.357 -0.357 1
1 539 . 11 1 1 A 49 49 ALA CB C 49 21.300 22.861 -1.561 1
1 540 . 11 1 1 A 49 49 ALA N N 49 124.000 120.453 3.547 1
1 541 . 11 1 1 A 50 50 VAL H H 50 8.100 8.535 -0.435 1
1 542 . 11 1 1 A 50 50 VAL HA H 50 4.560 4.633 -0.073 1
1 550 . 11 1 1 A 50 50 VAL C C 50 174.300 174.387 -0.087 1
1 551 . 11 1 1 A 50 50 VAL CA C 50 61.400 61.647 -0.247 1
1 552 . 11 1 1 A 50 50 VAL CB C 50 33.800 34.088 -0.288 1
1 555 . 11 1 1 A 50 50 VAL N N 50 119.600 119.721 -0.121 1
1 556 . 11 1 1 A 51 51 ASP H H 51 8.640 9.066 -0.426 1
1 557 . 11 1 1 A 51 51 ASP HA H 51 5.030 5.292 -0.262 1
1 560 . 11 1 1 A 51 51 ASP C C 51 173.000 174.959 -1.959 1
1 561 . 11 1 1 A 51 51 ASP CA C 51 52.000 52.956 -0.956 1
1 562 . 11 1 1 A 51 51 ASP CB C 51 43.900 43.069 0.831 1
1 563 . 11 1 1 A 51 51 ASP N N 51 124.900 127.506 -2.606 1
1 564 . 11 1 1 A 52 52 TYR H H 52 8.950 9.193 -0.243 1
1 565 . 11 1 1 A 52 52 TYR HA H 52 5.150 5.337 -0.187 1
1 572 . 11 1 1 A 52 52 TYR C C 52 174.500 174.959 -0.459 1
1 573 . 11 1 1 A 52 52 TYR CA C 52 57.300 56.588 0.712 1
1 574 . 11 1 1 A 52 52 TYR CB C 52 41.200 39.347 1.853 1
1 579 . 11 1 1 A 52 52 TYR N N 52 118.500 121.868 -3.368 1
1 580 . 11 1 1 A 53 53 PHE H H 53 9.250 8.827 0.423 1
1 581 . 11 1 1 A 53 53 PHE HA H 53 5.040 4.942 0.098 1
1 588 . 11 1 1 A 53 53 PHE C C 53 173.200 174.034 -0.834 1
1 589 . 11 1 1 A 53 53 PHE CA C 53 56.400 58.103 -1.703 1
1 590 . 11 1 1 A 53 53 PHE CB C 53 44.300 41.472 2.828 1
1 595 . 11 1 1 A 53 53 PHE N N 53 123.100 124.112 -1.012 1
1 596 . 11 1 1 A 54 54 CYS H H 54 9.160 8.806 0.354 1
1 597 . 11 1 1 A 54 54 CYS HA H 54 4.690 4.608 0.082 1
1 600 . 11 1 1 A 54 54 CYS C C 54 175.700 174.679 1.021 1
1 601 . 11 1 1 A 54 54 CYS CA C 54 58.200 58.506 -0.306 1
1 602 . 11 1 1 A 54 54 CYS CB C 54 29.600 26.851 2.749 1
1 603 . 11 1 1 A 54 54 CYS N N 54 130.800 124.976 5.824 1
1 604 . 11 1 1 A 55 55 GLN H H 55 9.260 8.303 0.957 1
1 605 . 11 1 1 A 55 55 GLN HA H 55 4.300 4.805 -0.505 1
1 610 . 11 1 1 A 55 55 GLN C C 55 174.400 176.177 -1.777 1
1 611 . 11 1 1 A 55 55 GLN CA C 55 56.900 58.074 -1.174 1
1 612 . 11 1 1 A 55 55 GLN CB C 55 28.900 29.625 -0.725 1
1 614 . 11 1 1 A 55 55 GLN N N 55 129.000 126.011 2.989 1
1 615 . 11 1 1 A 56 56 ASN H H 56 9.100 8.393 0.707 1
1 616 . 11 1 1 A 56 56 ASN HA H 56 4.860 4.680 0.180 1
1 619 . 11 1 1 A 56 56 ASN C C 56 174.100 175.951 -1.851 1
1 620 . 11 1 1 A 56 56 ASN CA C 56 52.100 53.426 -1.326 1
1 621 . 11 1 1 A 56 56 ASN CB C 56 39.500 39.148 0.352 1
1 622 . 11 1 1 A 56 56 ASN N N 56 122.300 117.029 5.271 1
1 623 . 11 1 1 A 57 57 GLY H H 57 7.180 8.547 -1.367 1
1 624 . 11 1 1 A 57 57 GLY HA2 H 57 3.450 3.819 -0.369 1
1 625 . 11 1 1 A 57 57 GLY HA3 H 57 4.000 3.953 0.047 1
1 626 . 11 1 1 A 57 57 GLY C C 57 175.800 174.989 0.811 1
1 627 . 11 1 1 A 57 57 GLY CA C 57 45.100 45.392 -0.292 1
1 628 . 11 1 1 A 57 57 GLY N N 57 104.200 113.290 -9.090 1
1 629 . 11 1 1 A 58 58 HIS H H 58 7.380 8.134 -0.754 1
1 630 . 11 1 1 A 58 58 HIS HA H 58 4.620 4.673 -0.053 1
1 633 . 11 1 1 A 58 58 HIS C C 58 174.100 175.370 -1.270 1
1 634 . 11 1 1 A 58 58 HIS CA C 58 59.600 57.459 2.141 1
1 635 . 11 1 1 A 58 58 HIS CB C 58 30.100 31.786 -1.686 1
1 636 . 11 1 1 A 58 58 HIS N N 58 116.000 117.099 -1.099 1
1 637 . 11 1 1 A 59 59 GLY H H 59 7.610 7.562 0.048 1
1 638 . 11 1 1 A 59 59 GLY HA2 H 59 2.930 4.081 -1.151 1
1 639 . 11 1 1 A 59 59 GLY HA3 H 59 3.700 4.090 -0.390 1
1 640 . 11 1 1 A 59 59 GLY C C 59 173.100 171.781 1.319 1
1 641 . 11 1 1 A 59 59 GLY CA C 59 45.500 46.141 -0.641 1
1 642 . 11 1 1 A 59 59 GLY N N 59 108.000 104.155 3.845 1
1 643 . 11 1 1 A 60 60 LEU H H 60 8.450 8.398 0.052 1
1 644 . 11 1 1 A 60 60 LEU HA H 60 4.620 4.708 -0.088 1
1 654 . 11 1 1 A 60 60 LEU C C 60 176.800 174.694 2.106 1
1 655 . 11 1 1 A 60 60 LEU CA C 60 55.700 53.469 2.231 1
1 656 . 11 1 1 A 60 60 LEU CB C 60 42.200 44.979 -2.779 1
1 660 . 11 1 1 A 60 60 LEU N N 60 124.300 119.620 4.680 1
1 661 . 11 1 1 A 61 61 ILE H H 61 8.740 8.288 0.452 1
1 662 . 11 1 1 A 61 61 ILE HA H 61 4.200 4.385 -0.185 1
1 672 . 11 1 1 A 61 61 ILE C C 61 175.500 175.457 0.043 1
1 673 . 11 1 1 A 61 61 ILE CA C 61 57.000 60.161 -3.161 1
1 674 . 11 1 1 A 61 61 ILE CB C 61 37.400 38.135 -0.735 1
1 678 . 11 1 1 A 61 61 ILE N N 61 128.500 125.697 2.803 1
1 679 . 11 1 1 A 62 62 SER H H 62 8.490 8.678 -0.188 1
1 680 . 11 1 1 A 62 62 SER HA H 62 4.380 4.436 -0.056 1
1 683 . 11 1 1 A 62 62 SER C C 62 176.500 175.889 0.611 1
1 684 . 11 1 1 A 62 62 SER CA C 62 58.300 58.894 -0.594 1
1 685 . 11 1 1 A 62 62 SER CB C 62 63.500 63.792 -0.292 1
1 686 . 11 1 1 A 62 62 SER N N 62 121.700 123.294 -1.594 1
1 687 . 11 1 1 A 63 63 LYS H H 63 9.040 8.812 0.228 1
1 688 . 11 1 1 A 63 63 LYS HA H 63 3.910 4.188 -0.278 1
1 697 . 11 1 1 A 63 63 LYS C C 63 178.200 177.516 0.684 1
1 698 . 11 1 1 A 63 63 LYS CA C 63 60.300 58.615 1.685 1
1 699 . 11 1 1 A 63 63 LYS CB C 63 32.000 32.236 -0.236 1
1 703 . 11 1 1 A 63 63 LYS N N 63 126.000 125.184 0.816 1
1 704 . 11 1 1 A 64 64 LYS H H 64 8.090 7.981 0.109 1
1 705 . 11 1 1 A 64 64 LYS HA H 64 4.190 4.189 0.001 1
1 714 . 11 1 1 A 64 64 LYS C C 64 177.000 177.207 -0.207 1
1 715 . 11 1 1 A 64 64 LYS CA C 64 58.000 57.967 0.033 1
1 716 . 11 1 1 A 64 64 LYS CB C 64 32.300 32.650 -0.350 1
1 720 . 11 1 1 A 64 64 LYS N N 64 115.400 118.470 -3.070 1
1 721 . 11 1 1 A 65 65 ARG H H 65 7.960 8.339 -0.379 1
1 722 . 11 1 1 A 65 65 ARG HA H 65 4.280 4.437 -0.157 1
1 729 . 11 1 1 A 65 65 ARG C C 65 176.000 176.453 -0.453 1
1 730 . 11 1 1 A 65 65 ARG CA C 65 55.900 56.408 -0.508 1
1 731 . 11 1 1 A 65 65 ARG CB C 65 32.000 30.874 1.126 1
1 734 . 11 1 1 A 65 65 ARG N N 65 116.600 118.812 -2.212 1
1 735 . 11 1 1 A 66 66 VAL H H 66 6.810 6.841 -0.031 1
1 736 . 11 1 1 A 66 66 VAL HA H 66 2.800 3.784 -0.984 1
1 744 . 11 1 1 A 66 66 VAL C C 66 174.500 174.748 -0.248 1
1 745 . 11 1 1 A 66 66 VAL CA C 66 65.000 62.735 2.265 1
1 746 . 11 1 1 A 66 66 VAL CB C 66 32.000 31.923 0.077 1
1 749 . 11 1 1 A 66 66 VAL N N 66 119.600 120.538 -0.938 1
1 750 . 11 1 1 A 67 67 ASN H H 67 7.270 8.315 -1.045 1
1 751 . 11 1 1 A 67 67 ASN HA H 67 4.840 4.679 0.161 1
1 756 . 11 1 1 A 67 67 ASN C C 67 173.200 173.666 -0.466 1
1 757 . 11 1 1 A 67 67 ASN CA C 67 51.200 51.302 -0.102 1
1 758 . 11 1 1 A 67 67 ASN CB C 67 39.100 38.681 0.419 1
1 759 . 11 1 1 A 67 67 ASN N N 67 123.500 126.424 -2.924 1
1 761 . 11 1 1 A 68 68 PHE H H 68 8.180 8.327 -0.147 1
1 762 . 11 1 1 A 68 68 PHE HA H 68 5.170 5.036 0.134 1
1 770 . 11 1 1 A 68 68 PHE C C 68 175.300 174.910 0.390 1
1 771 . 11 1 1 A 68 68 PHE CA C 68 58.000 58.161 -0.161 1
1 772 . 11 1 1 A 68 68 PHE CB C 68 41.100 38.585 2.515 1
1 778 . 11 1 1 A 68 68 PHE N N 68 123.300 126.354 -3.054 1
1 779 . 11 1 1 A 69 69 VAL H H 69 8.660 9.067 -0.407 1
1 780 . 11 1 1 A 69 69 VAL HA H 69 4.520 4.939 -0.419 1
1 788 . 11 1 1 A 69 69 VAL C C 69 175.100 174.987 0.113 1
1 789 . 11 1 1 A 69 69 VAL CA C 69 59.200 59.736 -0.536 1
1 790 . 11 1 1 A 69 69 VAL CB C 69 35.100 34.731 0.369 1
1 793 . 11 1 1 A 69 69 VAL N N 69 116.500 123.691 -7.191 1
1 794 . 11 1 1 A 70 70 ILE H H 70 8.480 8.576 -0.096 1
1 795 . 11 1 1 A 70 70 ILE HA H 70 4.350 4.377 -0.027 1
1 805 . 11 1 1 A 70 70 ILE C C 70 176.400 175.605 0.795 1
1 806 . 11 1 1 A 70 70 ILE CA C 70 61.300 62.513 -1.213 1
1 807 . 11 1 1 A 70 70 ILE CB C 70 38.200 37.643 0.557 1
1 811 . 11 1 1 A 70 70 ILE N N 70 123.100 127.118 -4.018 1
1 812 . 11 1 1 A 71 71 SER H H 71 8.770 8.393 0.377 1
1 813 . 11 1 1 A 71 71 SER HA H 71 4.550 4.928 -0.378 1
1 816 . 11 1 1 A 71 71 SER C C 71 174.200 174.102 0.098 1
1 817 . 11 1 1 A 71 71 SER CA C 71 57.700 57.246 0.454 1
1 818 . 11 1 1 A 71 71 SER CB C 71 64.100 66.021 -1.921 1
1 819 . 11 1 1 A 71 71 SER N N 71 122.200 124.078 -1.878 1
1 820 . 11 1 1 A 72 72 ASP H H 72 8.470 8.777 -0.307 1
1 821 . 11 1 1 A 72 72 ASP HA H 72 4.720 4.575 0.145 1
1 824 . 11 1 1 A 72 72 ASP C C 72 176.100 176.270 -0.170 1
1 825 . 11 1 1 A 72 72 ASP CA C 72 54.200 54.831 -0.631 1
1 826 . 11 1 1 A 72 72 ASP CB C 72 41.200 40.105 1.095 1
1 827 . 11 1 1 A 72 72 ASP N N 72 122.700 123.416 -0.716 1
1 828 . 11 1 1 A 73 73 GLN H H 73 8.490 8.668 -0.178 1
1 829 . 11 1 1 A 73 73 GLN HA H 73 4.310 4.679 -0.369 1
1 834 . 11 1 1 A 73 73 GLN C C 73 176.000 176.064 -0.064 1
1 835 . 11 1 1 A 73 73 GLN CA C 73 56.100 55.703 0.397 1
1 836 . 11 1 1 A 73 73 GLN CB C 73 29.200 30.770 -1.570 1
1 838 . 11 1 1 A 73 73 GLN N N 73 120.300 123.607 -3.307 1
1 839 . 11 1 1 A 74 74 LEU H H 74 8.250 7.835 0.415 1
1 840 . 11 1 1 A 74 74 LEU HA H 74 4.250 4.266 -0.016 1
1 850 . 11 1 1 A 74 74 LEU C C 74 177.100 177.620 -0.520 1
1 851 . 11 1 1 A 74 74 LEU CA C 74 55.200 55.298 -0.098 1
1 852 . 11 1 1 A 74 74 LEU CB C 74 42.100 42.947 -0.847 1
1 856 . 11 1 1 A 74 74 LEU N N 74 123.000 121.578 1.422 1
1 857 . 11 1 1 A 75 75 GLU H H 75 8.260 9.163 -0.903 1
1 858 . 11 1 1 A 75 75 GLU HA H 75 4.170 4.052 0.118 1
1 863 . 11 1 1 A 75 75 GLU C C 75 176.200 176.406 -0.206 1
1 864 . 11 1 1 A 75 75 GLU CA C 75 56.300 58.344 -2.044 1
1 865 . 11 1 1 A 75 75 GLU CB C 75 29.800 27.578 2.222 1
1 867 . 11 1 1 A 75 75 GLU N N 75 120.700 122.267 -1.567 1
1 868 . 11 1 1 A 76 76 HIS H H 76 8.480 8.283 0.197 1
1 869 . 11 1 1 A 76 76 HIS HA H 76 4.610 4.630 -0.020 1
1 872 . 11 1 1 A 76 76 HIS C C 76 174.200 176.123 -1.923 1
1 873 . 11 1 1 A 76 76 HIS CA C 76 55.100 57.199 -2.099 1
1 874 . 11 1 1 A 76 76 HIS CB C 76 28.700 29.041 -0.341 1
1 875 . 11 1 1 A 76 76 HIS N N 76 119.100 117.032 2.068 1
1 876 . 11 1 1 A 77 77 HIS H H 77 8.540 7.976 0.564 1
1 877 . 11 1 1 A 77 77 HIS HA H 77 4.620 4.402 0.218 1
1 880 . 11 1 1 A 77 77 HIS C C 77 174.100 175.634 -1.534 1
1 881 . 11 1 1 A 77 77 HIS CA C 77 55.300 57.531 -2.231 1
1 882 . 11 1 1 A 77 77 HIS CB C 77 28.900 30.533 -1.633 1
1 883 . 11 1 1 A 77 77 HIS N N 77 118.700 118.150 0.550 1
1 884 . 11 1 1 A 78 78 HIS H H 78 8.630 7.981 0.649 1
1 885 . 11 1 1 A 78 78 HIS HA H 78 4.660 4.765 -0.105 1
1 888 . 11 1 1 A 78 78 HIS C C 78 174.100 175.133 -1.033 1
1 889 . 11 1 1 A 78 78 HIS CA C 78 55.200 56.541 -1.341 1
1 890 . 11 1 1 A 78 78 HIS CB C 78 29.100 31.207 -2.107 1
1 891 . 11 1 1 A 78 78 HIS N N 78 119.500 117.740 1.760 1
1 892 . 11 1 1 A 79 79 HIS H H 79 8.690 8.600 0.090 1
1 893 . 11 1 1 A 79 79 HIS HA H 79 4.660 5.366 -0.706 1
1 896 . 11 1 1 A 79 79 HIS C C 79 173.900 173.948 -0.048 1
1 897 . 11 1 1 A 79 79 HIS CA C 79 55.200 54.122 1.078 1
1 898 . 11 1 1 A 79 79 HIS CB C 79 29.100 32.633 -3.533 1
1 899 . 11 1 1 A 79 79 HIS N N 79 120.400 117.020 3.380 1
1 900 . 11 1 1 A 80 80 HIS H H 80 8.590 8.578 0.012 1
1 901 . 11 1 1 A 80 80 HIS HA H 80 4.630 4.606 0.024 1
1 904 . 11 1 1 A 80 80 HIS C C 80 173.400 174.962 -1.562 1
1 905 . 11 1 1 A 80 80 HIS CA C 80 55.400 56.800 -1.400 1
1 906 . 11 1 1 A 80 80 HIS CB C 80 29.300 32.602 -3.302 1
1 907 . 11 1 1 A 80 80 HIS N N 80 120.600 120.563 0.037 1
1 7 . 12 1 1 A 2 2 GLU H H 2 8.850 7.818 1.032 1
1 8 . 12 1 1 A 2 2 GLU HA H 2 4.450 4.911 -0.461 1
1 13 . 12 1 1 A 2 2 GLU C C 2 175.400 175.153 0.247 1
1 14 . 12 1 1 A 2 2 GLU CA C 2 55.900 55.007 0.893 1
1 15 . 12 1 1 A 2 2 GLU CB C 2 30.300 32.678 -2.378 1
1 17 . 12 1 1 A 2 2 GLU N N 2 123.600 118.820 4.780 1
1 18 . 12 1 1 A 3 3 ILE H H 3 8.590 8.581 0.009 1
1 19 . 12 1 1 A 3 3 ILE HA H 3 4.310 4.321 -0.011 1
1 29 . 12 1 1 A 3 3 ILE C C 3 175.100 176.045 -0.945 1
1 30 . 12 1 1 A 3 3 ILE CA C 3 60.700 60.510 0.190 1
1 31 . 12 1 1 A 3 3 ILE CB C 3 39.500 38.487 1.013 1
1 35 . 12 1 1 A 3 3 ILE N N 3 122.100 122.373 -0.273 1
1 36 . 12 1 1 A 4 4 THR H H 4 8.130 8.928 -0.798 1
1 37 . 12 1 1 A 4 4 THR HA H 4 4.540 5.153 -0.613 1
1 42 . 12 1 1 A 4 4 THR C C 4 173.000 172.925 0.075 1
1 43 . 12 1 1 A 4 4 THR CA C 4 59.700 59.372 0.328 1
1 44 . 12 1 1 A 4 4 THR CB C 4 71.400 71.292 0.108 1
1 46 . 12 1 1 A 4 4 THR N N 4 116.800 117.575 -0.775 1
1 47 . 12 1 1 A 5 5 CYS H H 5 8.700 8.645 0.055 1
1 48 . 12 1 1 A 5 5 CYS HA H 5 3.960 4.414 -0.454 1
1 51 . 12 1 1 A 5 5 CYS CA C 5 56.800 56.849 -0.049 1
1 52 . 12 1 1 A 5 5 CYS CB C 5 32.000 28.853 3.147 1
1 53 . 12 1 1 A 5 5 CYS N N 5 125.600 122.416 3.184 1
1 54 . 12 1 1 A 6 6 PRO HA H 6 4.260 4.357 -0.097 1
1 61 . 12 1 1 A 6 6 PRO C C 6 176.000 177.599 -1.599 1
1 62 . 12 1 1 A 6 6 PRO CA C 6 63.900 64.564 -0.664 1
1 63 . 12 1 1 A 6 6 PRO CB C 6 32.100 31.951 0.149 1
1 66 . 12 1 1 A 7 7 VAL H H 7 9.210 7.914 1.296 1
1 67 . 12 1 1 A 7 7 VAL HA H 7 3.820 4.159 -0.339 1
1 75 . 12 1 1 A 7 7 VAL CA C 7 64.900 63.094 1.806 1
1 76 . 12 1 1 A 7 7 VAL CB C 7 32.200 32.099 0.101 1
1 79 . 12 1 1 A 7 7 VAL N N 7 122.500 115.316 7.184 1
1 80 . 12 1 1 A 8 8 CYS HA H 8 4.560 4.673 -0.113 1
1 83 . 12 1 1 A 8 8 CYS C C 8 176.800 175.300 1.500 1
1 84 . 12 1 1 A 8 8 CYS CA C 8 58.900 59.080 -0.180 1
1 85 . 12 1 1 A 8 8 CYS CB C 8 32.000 30.012 1.988 1
1 86 . 12 1 1 A 9 9 HIS H H 9 7.550 8.570 -1.020 1
1 87 . 12 1 1 A 9 9 HIS HA H 9 4.470 4.136 0.334 1
1 91 . 12 1 1 A 9 9 HIS CA C 9 56.900 56.981 -0.081 1
1 92 . 12 1 1 A 9 9 HIS CB C 9 25.900 29.094 -3.194 1
1 94 . 12 1 1 A 9 9 HIS N N 9 115.000 118.688 -3.688 1
1 95 . 12 1 1 A 10 10 HIS HA H 10 4.790 4.569 0.221 1
1 100 . 12 1 1 A 10 10 HIS C C 10 174.700 175.005 -0.305 1
1 101 . 12 1 1 A 10 10 HIS CA C 10 55.700 55.411 0.289 1
1 102 . 12 1 1 A 10 10 HIS CB C 10 29.800 31.703 -1.903 1
1 105 . 12 1 1 A 11 11 ALA H H 11 8.790 8.473 0.317 1
1 106 . 12 1 1 A 11 11 ALA HA H 11 4.310 4.318 -0.008 1
1 110 . 12 1 1 A 11 11 ALA C C 11 177.800 177.194 0.606 1
1 111 . 12 1 1 A 11 11 ALA CA C 11 53.400 52.174 1.226 1
1 112 . 12 1 1 A 11 11 ALA CB C 11 18.600 19.271 -0.671 1
1 113 . 12 1 1 A 11 11 ALA N N 11 124.500 124.882 -0.382 1
1 114 . 12 1 1 A 12 12 LEU H H 12 8.480 8.714 -0.234 1
1 115 . 12 1 1 A 12 12 LEU HA H 12 4.640 4.693 -0.053 1
1 125 . 12 1 1 A 12 12 LEU C C 12 176.900 176.118 0.782 1
1 126 . 12 1 1 A 12 12 LEU CA C 12 53.500 54.303 -0.803 1
1 127 . 12 1 1 A 12 12 LEU CB C 12 44.100 42.061 2.039 1
1 131 . 12 1 1 A 12 12 LEU N N 12 121.200 123.339 -2.139 1
1 132 . 12 1 1 A 13 13 GLU H H 13 8.600 8.603 -0.003 1
1 133 . 12 1 1 A 13 13 GLU HA H 13 4.590 4.603 -0.013 1
1 138 . 12 1 1 A 13 13 GLU C C 13 175.700 176.187 -0.487 1
1 139 . 12 1 1 A 13 13 GLU CA C 13 54.700 56.923 -2.223 1
1 140 . 12 1 1 A 13 13 GLU CB C 13 30.200 30.123 0.077 1
1 142 . 12 1 1 A 13 13 GLU N N 13 120.300 125.871 -5.571 1
1 143 . 12 1 1 A 14 14 ARG H H 14 9.010 8.586 0.424 1
1 144 . 12 1 1 A 14 14 ARG HA H 14 4.460 4.535 -0.075 1
1 151 . 12 1 1 A 14 14 ARG C C 14 174.900 176.128 -1.228 1
1 152 . 12 1 1 A 14 14 ARG CA C 14 56.400 56.421 -0.021 1
1 153 . 12 1 1 A 14 14 ARG CB C 14 31.800 30.146 1.654 1
1 156 . 12 1 1 A 14 14 ARG N N 14 126.500 127.773 -1.273 1
1 157 . 12 1 1 A 15 15 ASN H H 15 8.670 9.348 -0.678 1
1 158 . 12 1 1 A 15 15 ASN HA H 15 4.850 4.726 0.124 1
1 161 . 12 1 1 A 15 15 ASN C C 15 174.900 175.471 -0.571 1
1 162 . 12 1 1 A 15 15 ASN CA C 15 52.100 53.201 -1.101 1
1 163 . 12 1 1 A 15 15 ASN CB C 15 39.200 38.900 0.300 1
1 164 . 12 1 1 A 15 15 ASN N N 15 125.100 124.277 0.823 1
1 165 . 12 1 1 A 16 16 GLY H H 16 8.880 7.673 1.207 1
1 166 . 12 1 1 A 16 16 GLY HA2 H 16 3.570 3.974 -0.404 1
1 167 . 12 1 1 A 16 16 GLY HA3 H 16 4.000 4.001 -0.001 1
1 168 . 12 1 1 A 16 16 GLY C C 16 173.700 175.055 -1.355 1
1 169 . 12 1 1 A 16 16 GLY CA C 16 47.200 45.696 1.504 1
1 170 . 12 1 1 A 16 16 GLY N N 16 114.400 106.756 7.644 1
1 171 . 12 1 1 A 17 17 ASP H H 17 8.600 8.679 -0.079 1
1 172 . 12 1 1 A 17 17 ASP HA H 17 4.600 4.625 -0.025 1
1 175 . 12 1 1 A 17 17 ASP C C 17 174.800 175.733 -0.933 1
1 176 . 12 1 1 A 17 17 ASP CA C 17 53.800 54.504 -0.704 1
1 177 . 12 1 1 A 17 17 ASP CB C 17 40.200 41.591 -1.391 1
1 178 . 12 1 1 A 17 17 ASP N N 17 126.400 125.411 0.989 1
1 179 . 12 1 1 A 18 18 THR H H 18 7.710 7.696 0.014 1
1 180 . 12 1 1 A 18 18 THR HA H 18 5.120 5.239 -0.119 1
1 185 . 12 1 1 A 18 18 THR C C 18 171.900 172.668 -0.768 1
1 186 . 12 1 1 A 18 18 THR CA C 18 60.400 61.048 -0.648 1
1 187 . 12 1 1 A 18 18 THR CB C 18 72.300 73.046 -0.746 1
1 189 . 12 1 1 A 18 18 THR N N 18 112.300 113.061 -0.761 1
1 190 . 12 1 1 A 19 19 ALA H H 19 9.090 9.355 -0.265 1
1 191 . 12 1 1 A 19 19 ALA HA H 19 5.250 5.755 -0.505 1
1 195 . 12 1 1 A 19 19 ALA C C 19 175.000 175.317 -0.317 1
1 196 . 12 1 1 A 19 19 ALA CA C 19 50.300 50.046 0.254 1
1 197 . 12 1 1 A 19 19 ALA CB C 19 23.900 22.988 0.912 1
1 198 . 12 1 1 A 19 19 ALA N N 19 123.300 127.008 -3.708 1
1 199 . 12 1 1 A 20 20 HIS H H 20 9.130 9.009 0.121 1
1 200 . 12 1 1 A 20 20 HIS HA H 20 5.550 5.452 0.098 1
1 205 . 12 1 1 A 20 20 HIS C C 20 173.100 172.888 0.212 1
1 206 . 12 1 1 A 20 20 HIS CA C 20 54.700 54.486 0.214 1
1 207 . 12 1 1 A 20 20 HIS CB C 20 31.900 33.111 -1.211 1
1 210 . 12 1 1 A 20 20 HIS N N 20 120.000 121.849 -1.849 1
1 211 . 12 1 1 A 21 21 CYS H H 21 8.910 8.406 0.504 1
1 212 . 12 1 1 A 21 21 CYS HA H 21 4.700 4.627 0.073 1
1 215 . 12 1 1 A 21 21 CYS C C 21 176.400 175.827 0.573 1
1 216 . 12 1 1 A 21 21 CYS CA C 21 57.900 57.706 0.194 1
1 217 . 12 1 1 A 21 21 CYS CB C 21 31.700 31.097 0.603 1
1 218 . 12 1 1 A 21 21 CYS N N 21 129.200 127.163 2.037 1
1 219 . 12 1 1 A 22 22 GLU H H 22 9.030 9.156 -0.126 1
1 220 . 12 1 1 A 22 22 GLU HA H 22 4.130 4.222 -0.092 1
1 225 . 12 1 1 A 22 22 GLU C C 22 177.400 177.399 0.001 1
1 226 . 12 1 1 A 22 22 GLU CA C 22 58.200 58.899 -0.699 1
1 227 . 12 1 1 A 22 22 GLU CB C 22 29.500 29.887 -0.387 1
1 229 . 12 1 1 A 22 22 GLU N N 22 128.800 127.755 1.045 1
1 230 . 12 1 1 A 23 23 THR H H 23 8.360 7.796 0.564 1
1 231 . 12 1 1 A 23 23 THR HA H 23 3.920 4.286 -0.366 1
1 236 . 12 1 1 A 23 23 THR C C 23 176.500 174.078 2.422 1
1 237 . 12 1 1 A 23 23 THR CA C 23 66.800 62.621 4.179 1
1 238 . 12 1 1 A 23 23 THR CB C 23 69.100 68.843 0.257 1
1 240 . 12 1 1 A 23 23 THR N N 23 119.800 111.455 8.345 1
1 241 . 12 1 1 A 24 24 CYS H H 24 9.570 7.598 1.972 1
1 242 . 12 1 1 A 24 24 CYS HA H 24 3.880 4.579 -0.699 1
1 245 . 12 1 1 A 24 24 CYS C C 24 174.900 174.689 0.211 1
1 246 . 12 1 1 A 24 24 CYS CA C 24 62.000 59.370 2.630 1
1 247 . 12 1 1 A 24 24 CYS CB C 24 30.300 30.363 -0.063 1
1 248 . 12 1 1 A 24 24 CYS N N 24 123.600 118.998 4.602 1
1 249 . 12 1 1 A 25 25 ALA H H 25 7.720 8.103 -0.383 1
1 250 . 12 1 1 A 25 25 ALA HA H 25 3.820 3.779 0.041 1
1 254 . 12 1 1 A 25 25 ALA C C 25 175.400 175.852 -0.452 1
1 255 . 12 1 1 A 25 25 ALA CA C 25 52.500 53.503 -1.003 1
1 256 . 12 1 1 A 25 25 ALA CB C 25 16.000 17.996 -1.996 1
1 257 . 12 1 1 A 25 25 ALA N N 25 121.400 121.856 -0.456 1
1 258 . 12 1 1 A 26 26 LYS H H 26 6.910 7.703 -0.793 1
1 259 . 12 1 1 A 26 26 LYS HA H 26 4.450 4.329 0.121 1
1 268 . 12 1 1 A 26 26 LYS CA C 26 54.600 55.477 -0.877 1
1 269 . 12 1 1 A 26 26 LYS CB C 26 37.900 33.137 4.763 1
1 273 . 12 1 1 A 26 26 LYS N N 26 116.100 117.001 -0.901 1
1 274 . 12 1 1 A 27 27 ASP HA H 27 5.610 5.604 0.006 1
1 277 . 12 1 1 A 27 27 ASP C C 27 174.400 174.796 -0.396 1
1 278 . 12 1 1 A 27 27 ASP CA C 27 53.000 52.578 0.422 1
1 279 . 12 1 1 A 27 27 ASP CB C 27 44.200 43.758 0.442 1
1 280 . 12 1 1 A 28 28 PHE H H 28 9.200 9.784 -0.584 1
1 281 . 12 1 1 A 28 28 PHE HA H 28 4.890 5.081 -0.191 1
1 289 . 12 1 1 A 28 28 PHE C C 28 175.500 175.729 -0.229 1
1 290 . 12 1 1 A 28 28 PHE CA C 28 56.800 55.975 0.825 1
1 291 . 12 1 1 A 28 28 PHE CB C 28 42.900 41.816 1.084 1
1 297 . 12 1 1 A 28 28 PHE N N 28 118.100 121.957 -3.857 1
1 298 . 12 1 1 A 29 29 SER H H 29 9.070 8.845 0.225 1
1 299 . 12 1 1 A 29 29 SER HA H 29 4.750 4.887 -0.137 1
1 302 . 12 1 1 A 29 29 SER C C 29 173.400 174.063 -0.663 1
1 303 . 12 1 1 A 29 29 SER CA C 29 58.400 57.470 0.930 1
1 304 . 12 1 1 A 29 29 SER CB C 29 64.100 64.206 -0.106 1
1 305 . 12 1 1 A 29 29 SER N N 29 118.400 117.840 0.560 1
1 306 . 12 1 1 A 30 30 LEU H H 30 8.180 8.547 -0.367 1
1 307 . 12 1 1 A 30 30 LEU HA H 30 5.200 5.239 -0.039 1
1 317 . 12 1 1 A 30 30 LEU CA C 30 53.100 53.378 -0.278 1
1 318 . 12 1 1 A 30 30 LEU CB C 30 44.800 44.270 0.530 1
1 322 . 12 1 1 A 30 30 LEU N N 30 122.200 124.865 -2.665 1
1 323 . 12 1 1 A 31 31 GLN HA H 31 4.680 4.611 0.069 1
1 328 . 12 1 1 A 31 31 GLN C C 31 173.600 175.124 -1.524 1
1 329 . 12 1 1 A 31 31 GLN CA C 31 54.200 54.012 0.188 1
1 330 . 12 1 1 A 31 31 GLN CB C 31 31.800 31.289 0.511 1
1 332 . 12 1 1 A 32 32 ALA H H 32 8.560 8.858 -0.298 1
1 333 . 12 1 1 A 32 32 ALA HA H 32 3.990 4.987 -0.997 1
1 337 . 12 1 1 A 32 32 ALA C C 32 175.600 176.983 -1.383 1
1 338 . 12 1 1 A 32 32 ALA CA C 32 50.900 51.734 -0.834 1
1 339 . 12 1 1 A 32 32 ALA CB C 32 20.300 20.157 0.143 1
1 340 . 12 1 1 A 32 32 ALA N N 32 128.100 127.181 0.919 1
1 341 . 12 1 1 A 33 33 LEU H H 33 8.740 8.870 -0.130 1
1 342 . 12 1 1 A 33 33 LEU HA H 33 4.560 5.043 -0.483 1
1 352 . 12 1 1 A 33 33 LEU C C 33 175.400 175.934 -0.534 1
1 353 . 12 1 1 A 33 33 LEU CA C 33 52.700 53.406 -0.706 1
1 354 . 12 1 1 A 33 33 LEU CB C 33 44.200 44.952 -0.752 1
1 358 . 12 1 1 A 33 33 LEU N N 33 124.500 123.694 0.806 1
1 359 . 12 1 1 A 34 34 CYS H H 34 8.260 8.475 -0.215 1
1 360 . 12 1 1 A 34 34 CYS HA H 34 4.270 4.820 -0.550 1
1 363 . 12 1 1 A 34 34 CYS CA C 34 56.900 57.609 -0.709 1
1 364 . 12 1 1 A 34 34 CYS CB C 34 31.400 27.990 3.410 1
1 365 . 12 1 1 A 34 34 CYS N N 34 123.600 121.389 2.211 1
1 366 . 12 1 1 A 35 35 PRO HA H 35 4.290 4.386 -0.096 1
1 373 . 12 1 1 A 35 35 PRO C C 35 176.100 177.297 -1.197 1
1 374 . 12 1 1 A 35 35 PRO CA C 35 63.700 64.642 -0.942 1
1 375 . 12 1 1 A 35 35 PRO CB C 35 31.600 32.071 -0.471 1
1 378 . 12 1 1 A 36 36 ASP H H 36 8.980 8.616 0.364 1
1 379 . 12 1 1 A 36 36 ASP HA H 36 4.600 4.529 0.071 1
1 382 . 12 1 1 A 36 36 ASP C C 36 176.500 176.188 0.312 1
1 383 . 12 1 1 A 36 36 ASP CA C 36 56.400 55.130 1.270 1
1 384 . 12 1 1 A 36 36 ASP CB C 36 40.100 41.335 -1.235 1
1 385 . 12 1 1 A 36 36 ASP N N 36 122.200 114.841 7.359 1
1 386 . 12 1 1 A 37 37 CYS H H 37 7.840 7.680 0.160 1
1 387 . 12 1 1 A 37 37 CYS HA H 37 5.000 4.835 0.165 1
1 390 . 12 1 1 A 37 37 CYS C C 37 175.400 173.958 1.442 1
1 391 . 12 1 1 A 37 37 CYS CA C 37 58.400 58.152 0.248 1
1 392 . 12 1 1 A 37 37 CYS CB C 37 32.300 29.630 2.670 1
1 393 . 12 1 1 A 37 37 CYS N N 37 116.000 116.986 -0.986 1
1 394 . 12 1 1 A 38 38 ARG H H 38 7.880 8.727 -0.847 1
1 395 . 12 1 1 A 38 38 ARG HA H 38 4.050 4.390 -0.340 1
1 402 . 12 1 1 A 38 38 ARG C C 38 173.700 175.594 -1.894 1
1 403 . 12 1 1 A 38 38 ARG CA C 38 58.100 55.958 2.142 1
1 404 . 12 1 1 A 38 38 ARG CB C 38 27.400 29.709 -2.309 1
1 407 . 12 1 1 A 38 38 ARG N N 38 117.700 121.855 -4.155 1
1 408 . 12 1 1 A 39 39 GLN H H 39 7.720 7.349 0.371 1
1 409 . 12 1 1 A 39 39 GLN HA H 39 4.710 4.695 0.015 1
1 414 . 12 1 1 A 39 39 GLN CA C 39 53.900 53.510 0.390 1
1 415 . 12 1 1 A 39 39 GLN CB C 39 28.100 30.132 -2.032 1
1 417 . 12 1 1 A 39 39 GLN N N 39 117.500 119.424 -1.924 1
1 418 . 12 1 1 A 40 40 PRO HA H 40 4.570 4.381 0.189 1
1 425 . 12 1 1 A 40 40 PRO C C 40 176.600 177.419 -0.819 1
1 426 . 12 1 1 A 40 40 PRO CA C 40 63.700 63.406 0.294 1
1 427 . 12 1 1 A 40 40 PRO CB C 40 31.900 32.210 -0.310 1
1 430 . 12 1 1 A 41 41 LEU H H 41 8.170 8.001 0.169 1
1 431 . 12 1 1 A 41 41 LEU HA H 41 4.460 4.052 0.408 1
1 441 . 12 1 1 A 41 41 LEU C C 41 177.200 175.867 1.333 1
1 442 . 12 1 1 A 41 41 LEU CA C 41 54.000 57.268 -3.268 1
1 443 . 12 1 1 A 41 41 LEU CB C 41 43.200 40.799 2.401 1
1 447 . 12 1 1 A 41 41 LEU N N 41 124.100 119.340 4.760 1
1 448 . 12 1 1 A 42 42 GLN H H 42 9.240 8.527 0.713 1
1 449 . 12 1 1 A 42 42 GLN HA H 42 4.490 4.763 -0.273 1
1 454 . 12 1 1 A 42 42 GLN C C 42 175.000 174.512 0.488 1
1 455 . 12 1 1 A 42 42 GLN CA C 42 55.300 55.413 -0.113 1
1 456 . 12 1 1 A 42 42 GLN CB C 42 29.600 31.346 -1.746 1
1 458 . 12 1 1 A 42 42 GLN N N 42 122.100 121.214 0.886 1
1 459 . 12 1 1 A 43 43 VAL H H 43 8.600 8.710 -0.110 1
1 460 . 12 1 1 A 43 43 VAL HA H 43 4.260 4.079 0.181 1
1 468 . 12 1 1 A 43 43 VAL C C 43 175.500 174.281 1.219 1
1 469 . 12 1 1 A 43 43 VAL CA C 43 62.100 62.655 -0.555 1
1 470 . 12 1 1 A 43 43 VAL CB C 43 32.000 32.112 -0.112 1
1 473 . 12 1 1 A 43 43 VAL N N 43 126.400 127.193 -0.793 1
1 474 . 12 1 1 A 44 44 LEU H H 44 8.940 9.364 -0.424 1
1 475 . 12 1 1 A 44 44 LEU HA H 44 4.510 5.097 -0.587 1
1 485 . 12 1 1 A 44 44 LEU C C 44 175.500 176.060 -0.560 1
1 486 . 12 1 1 A 44 44 LEU CA C 44 53.400 53.346 0.054 1
1 487 . 12 1 1 A 44 44 LEU CB C 44 42.800 45.085 -2.285 1
1 491 . 12 1 1 A 44 44 LEU N N 44 130.200 130.509 -0.309 1
1 492 . 12 1 1 A 45 45 LYS H H 45 8.520 9.028 -0.508 1
1 493 . 12 1 1 A 45 45 LYS HA H 45 4.830 5.276 -0.446 1
1 502 . 12 1 1 A 45 45 LYS C C 45 175.600 174.892 0.708 1
1 503 . 12 1 1 A 45 45 LYS CA C 45 55.700 54.531 1.169 1
1 504 . 12 1 1 A 45 45 LYS CB C 45 33.500 35.736 -2.236 1
1 508 . 12 1 1 A 45 45 LYS N N 45 123.700 120.565 3.135 1
1 509 . 12 1 1 A 46 46 ALA H H 46 8.220 8.784 -0.564 1
1 510 . 12 1 1 A 46 46 ALA HA H 46 4.540 4.694 -0.154 1
1 514 . 12 1 1 A 46 46 ALA C C 46 176.900 176.896 0.004 1
1 515 . 12 1 1 A 46 46 ALA CA C 46 51.900 50.844 1.056 1
1 516 . 12 1 1 A 46 46 ALA CB C 46 20.700 21.062 -0.362 1
1 517 . 12 1 1 A 46 46 ALA N N 46 126.400 122.969 3.431 1
1 518 . 12 1 1 A 47 47 CYS H H 47 9.200 8.742 0.458 1
1 519 . 12 1 1 A 47 47 CYS HA H 47 4.080 4.096 -0.016 1
1 522 . 12 1 1 A 47 47 CYS C C 47 175.100 174.879 0.221 1
1 523 . 12 1 1 A 47 47 CYS CA C 47 59.700 61.534 -1.834 1
1 524 . 12 1 1 A 47 47 CYS CB C 47 25.800 26.316 -0.516 1
1 525 . 12 1 1 A 47 47 CYS N N 47 120.400 121.063 -0.663 1
1 526 . 12 1 1 A 48 48 GLY H H 48 8.620 8.262 0.358 1
1 527 . 12 1 1 A 48 48 GLY HA2 H 48 3.670 4.006 -0.336 1
1 528 . 12 1 1 A 48 48 GLY HA3 H 48 4.070 4.006 0.064 1
1 529 . 12 1 1 A 48 48 GLY C C 48 173.100 173.508 -0.408 1
1 530 . 12 1 1 A 48 48 GLY CA C 48 45.500 45.199 0.301 1
1 531 . 12 1 1 A 48 48 GLY N N 48 109.000 110.043 -1.043 1
1 532 . 12 1 1 A 49 49 ALA H H 49 7.820 7.587 0.233 1
1 533 . 12 1 1 A 49 49 ALA HA H 49 4.620 4.653 -0.033 1
1 537 . 12 1 1 A 49 49 ALA C C 49 176.000 176.662 -0.662 1
1 538 . 12 1 1 A 49 49 ALA CA C 49 51.000 50.573 0.427 1
1 539 . 12 1 1 A 49 49 ALA CB C 49 21.300 21.974 -0.674 1
1 540 . 12 1 1 A 49 49 ALA N N 49 124.000 122.946 1.054 1
1 541 . 12 1 1 A 50 50 VAL H H 50 8.100 9.724 -1.624 1
1 542 . 12 1 1 A 50 50 VAL HA H 50 4.560 5.009 -0.449 1
1 550 . 12 1 1 A 50 50 VAL C C 50 174.300 173.798 0.502 1
1 551 . 12 1 1 A 50 50 VAL CA C 50 61.400 59.248 2.152 1
1 552 . 12 1 1 A 50 50 VAL CB C 50 33.800 34.483 -0.683 1
1 555 . 12 1 1 A 50 50 VAL N N 50 119.600 115.987 3.613 1
1 556 . 12 1 1 A 51 51 ASP H H 51 8.640 8.862 -0.222 1
1 557 . 12 1 1 A 51 51 ASP HA H 51 5.030 5.054 -0.024 1
1 560 . 12 1 1 A 51 51 ASP C C 51 173.000 173.629 -0.629 1
1 561 . 12 1 1 A 51 51 ASP CA C 51 52.000 53.221 -1.221 1
1 562 . 12 1 1 A 51 51 ASP CB C 51 43.900 44.422 -0.522 1
1 563 . 12 1 1 A 51 51 ASP N N 51 124.900 124.609 0.291 1
1 564 . 12 1 1 A 52 52 TYR H H 52 8.950 9.135 -0.185 1
1 565 . 12 1 1 A 52 52 TYR HA H 52 5.150 5.280 -0.130 1
1 572 . 12 1 1 A 52 52 TYR C C 52 174.500 174.879 -0.379 1
1 573 . 12 1 1 A 52 52 TYR CA C 52 57.300 56.751 0.549 1
1 574 . 12 1 1 A 52 52 TYR CB C 52 41.200 38.687 2.513 1
1 579 . 12 1 1 A 52 52 TYR N N 52 118.500 126.057 -7.557 1
1 580 . 12 1 1 A 53 53 PHE H H 53 9.250 8.913 0.337 1
1 581 . 12 1 1 A 53 53 PHE HA H 53 5.040 5.099 -0.059 1
1 588 . 12 1 1 A 53 53 PHE C C 53 173.200 174.645 -1.445 1
1 589 . 12 1 1 A 53 53 PHE CA C 53 56.400 57.365 -0.965 1
1 590 . 12 1 1 A 53 53 PHE CB C 53 44.300 42.053 2.247 1
1 595 . 12 1 1 A 53 53 PHE N N 53 123.100 124.500 -1.400 1
1 596 . 12 1 1 A 54 54 CYS H H 54 9.160 8.723 0.437 1
1 597 . 12 1 1 A 54 54 CYS HA H 54 4.690 4.531 0.159 1
1 600 . 12 1 1 A 54 54 CYS C C 54 175.700 174.133 1.567 1
1 601 . 12 1 1 A 54 54 CYS CA C 54 58.200 59.388 -1.188 1
1 602 . 12 1 1 A 54 54 CYS CB C 54 29.600 27.044 2.556 1
1 603 . 12 1 1 A 54 54 CYS N N 54 130.800 125.676 5.124 1
1 604 . 12 1 1 A 55 55 GLN H H 55 9.260 8.561 0.699 1
1 605 . 12 1 1 A 55 55 GLN HA H 55 4.300 4.520 -0.220 1
1 610 . 12 1 1 A 55 55 GLN C C 55 174.400 175.294 -0.894 1
1 611 . 12 1 1 A 55 55 GLN CA C 55 56.900 56.939 -0.039 1
1 612 . 12 1 1 A 55 55 GLN CB C 55 28.900 30.178 -1.278 1
1 614 . 12 1 1 A 55 55 GLN N N 55 129.000 124.514 4.486 1
1 615 . 12 1 1 A 56 56 ASN H H 56 9.100 8.094 1.006 1
1 616 . 12 1 1 A 56 56 ASN HA H 56 4.860 4.681 0.179 1
1 619 . 12 1 1 A 56 56 ASN C C 56 174.100 175.946 -1.846 1
1 620 . 12 1 1 A 56 56 ASN CA C 56 52.100 53.307 -1.207 1
1 621 . 12 1 1 A 56 56 ASN CB C 56 39.500 39.417 0.083 1
1 622 . 12 1 1 A 56 56 ASN N N 56 122.300 117.117 5.183 1
1 623 . 12 1 1 A 57 57 GLY H H 57 7.180 8.625 -1.445 1
1 624 . 12 1 1 A 57 57 GLY HA2 H 57 3.450 3.995 -0.545 1
1 625 . 12 1 1 A 57 57 GLY HA3 H 57 4.000 4.007 -0.007 1
1 626 . 12 1 1 A 57 57 GLY C C 57 175.800 174.027 1.773 1
1 627 . 12 1 1 A 57 57 GLY CA C 57 45.100 45.436 -0.336 1
1 628 . 12 1 1 A 57 57 GLY N N 57 104.200 113.457 -9.257 1
1 629 . 12 1 1 A 58 58 HIS H H 58 7.380 8.036 -0.656 1
1 630 . 12 1 1 A 58 58 HIS HA H 58 4.620 4.756 -0.136 1
1 633 . 12 1 1 A 58 58 HIS C C 58 174.100 175.180 -1.080 1
1 634 . 12 1 1 A 58 58 HIS CA C 58 59.600 57.257 2.343 1
1 635 . 12 1 1 A 58 58 HIS CB C 58 30.100 31.745 -1.645 1
1 636 . 12 1 1 A 58 58 HIS N N 58 116.000 119.205 -3.205 1
1 637 . 12 1 1 A 59 59 GLY H H 59 7.610 7.501 0.109 1
1 638 . 12 1 1 A 59 59 GLY HA2 H 59 2.930 3.973 -1.043 1
1 639 . 12 1 1 A 59 59 GLY HA3 H 59 3.700 3.999 -0.299 1
1 640 . 12 1 1 A 59 59 GLY C C 59 173.100 173.125 -0.025 1
1 641 . 12 1 1 A 59 59 GLY CA C 59 45.500 43.850 1.650 1
1 642 . 12 1 1 A 59 59 GLY N N 59 108.000 105.961 2.039 1
1 643 . 12 1 1 A 60 60 LEU H H 60 8.450 8.121 0.329 1
1 644 . 12 1 1 A 60 60 LEU HA H 60 4.620 3.886 0.734 1
1 654 . 12 1 1 A 60 60 LEU C C 60 176.800 175.964 0.836 1
1 655 . 12 1 1 A 60 60 LEU CA C 60 55.700 53.809 1.891 1
1 656 . 12 1 1 A 60 60 LEU CB C 60 42.200 43.006 -0.806 1
1 660 . 12 1 1 A 60 60 LEU N N 60 124.300 117.429 6.871 1
1 661 . 12 1 1 A 61 61 ILE H H 61 8.740 7.954 0.786 1
1 662 . 12 1 1 A 61 61 ILE HA H 61 4.200 4.460 -0.260 1
1 672 . 12 1 1 A 61 61 ILE C C 61 175.500 175.520 -0.020 1
1 673 . 12 1 1 A 61 61 ILE CA C 61 57.000 59.713 -2.713 1
1 674 . 12 1 1 A 61 61 ILE CB C 61 37.400 40.788 -3.388 1
1 678 . 12 1 1 A 61 61 ILE N N 61 128.500 123.624 4.876 1
1 679 . 12 1 1 A 62 62 SER H H 62 8.490 8.756 -0.266 1
1 680 . 12 1 1 A 62 62 SER HA H 62 4.380 4.457 -0.077 1
1 683 . 12 1 1 A 62 62 SER C C 62 176.500 176.546 -0.046 1
1 684 . 12 1 1 A 62 62 SER CA C 62 58.300 58.690 -0.390 1
1 685 . 12 1 1 A 62 62 SER CB C 62 63.500 63.958 -0.458 1
1 686 . 12 1 1 A 62 62 SER N N 62 121.700 122.910 -1.210 1
1 687 . 12 1 1 A 63 63 LYS H H 63 9.040 8.648 0.392 1
1 688 . 12 1 1 A 63 63 LYS HA H 63 3.910 4.143 -0.233 1
1 697 . 12 1 1 A 63 63 LYS C C 63 178.200 176.770 1.430 1
1 698 . 12 1 1 A 63 63 LYS CA C 63 60.300 58.195 2.105 1
1 699 . 12 1 1 A 63 63 LYS CB C 63 32.000 31.788 0.212 1
1 703 . 12 1 1 A 63 63 LYS N N 63 126.000 125.050 0.950 1
1 704 . 12 1 1 A 64 64 LYS H H 64 8.090 7.873 0.217 1
1 705 . 12 1 1 A 64 64 LYS HA H 64 4.190 4.378 -0.188 1
1 714 . 12 1 1 A 64 64 LYS C C 64 177.000 177.556 -0.556 1
1 715 . 12 1 1 A 64 64 LYS CA C 64 58.000 56.583 1.417 1
1 716 . 12 1 1 A 64 64 LYS CB C 64 32.300 32.632 -0.332 1
1 720 . 12 1 1 A 64 64 LYS N N 64 115.400 118.299 -2.899 1
1 721 . 12 1 1 A 65 65 ARG H H 65 7.960 7.974 -0.014 1
1 722 . 12 1 1 A 65 65 ARG HA H 65 4.280 4.468 -0.188 1
1 729 . 12 1 1 A 65 65 ARG C C 65 176.000 175.482 0.518 1
1 730 . 12 1 1 A 65 65 ARG CA C 65 55.900 55.393 0.507 1
1 731 . 12 1 1 A 65 65 ARG CB C 65 32.000 31.720 0.280 1
1 734 . 12 1 1 A 65 65 ARG N N 65 116.600 116.866 -0.266 1
1 735 . 12 1 1 A 66 66 VAL H H 66 6.810 7.308 -0.498 1
1 736 . 12 1 1 A 66 66 VAL HA H 66 2.800 4.033 -1.233 1
1 744 . 12 1 1 A 66 66 VAL C C 66 174.500 174.898 -0.398 1
1 745 . 12 1 1 A 66 66 VAL CA C 66 65.000 61.114 3.886 1
1 746 . 12 1 1 A 66 66 VAL CB C 66 32.000 32.783 -0.783 1
1 749 . 12 1 1 A 66 66 VAL N N 66 119.600 116.639 2.961 1
1 750 . 12 1 1 A 67 67 ASN H H 67 7.270 8.702 -1.432 1
1 751 . 12 1 1 A 67 67 ASN HA H 67 4.840 4.887 -0.047 1
1 756 . 12 1 1 A 67 67 ASN C C 67 173.200 173.716 -0.516 1
1 757 . 12 1 1 A 67 67 ASN CA C 67 51.200 51.348 -0.148 1
1 758 . 12 1 1 A 67 67 ASN CB C 67 39.100 39.037 0.063 1
1 759 . 12 1 1 A 67 67 ASN N N 67 123.500 121.825 1.675 1
1 761 . 12 1 1 A 68 68 PHE H H 68 8.180 8.764 -0.584 1
1 762 . 12 1 1 A 68 68 PHE HA H 68 5.170 5.125 0.045 1
1 770 . 12 1 1 A 68 68 PHE C C 68 175.300 174.870 0.430 1
1 771 . 12 1 1 A 68 68 PHE CA C 68 58.000 57.935 0.065 1
1 772 . 12 1 1 A 68 68 PHE CB C 68 41.100 39.142 1.958 1
1 778 . 12 1 1 A 68 68 PHE N N 68 123.300 126.373 -3.073 1
1 779 . 12 1 1 A 69 69 VAL H H 69 8.660 8.856 -0.196 1
1 780 . 12 1 1 A 69 69 VAL HA H 69 4.520 4.941 -0.421 1
1 788 . 12 1 1 A 69 69 VAL C C 69 175.100 174.536 0.564 1
1 789 . 12 1 1 A 69 69 VAL CA C 69 59.200 59.900 -0.700 1
1 790 . 12 1 1 A 69 69 VAL CB C 69 35.100 35.515 -0.415 1
1 793 . 12 1 1 A 69 69 VAL N N 69 116.500 122.516 -6.016 1
1 794 . 12 1 1 A 70 70 ILE H H 70 8.480 8.510 -0.030 1
1 795 . 12 1 1 A 70 70 ILE HA H 70 4.350 4.559 -0.209 1
1 805 . 12 1 1 A 70 70 ILE C C 70 176.400 175.384 1.016 1
1 806 . 12 1 1 A 70 70 ILE CA C 70 61.300 61.959 -0.659 1
1 807 . 12 1 1 A 70 70 ILE CB C 70 38.200 36.408 1.792 1
1 811 . 12 1 1 A 70 70 ILE N N 70 123.100 127.065 -3.965 1
1 812 . 12 1 1 A 71 71 SER H H 71 8.770 8.560 0.210 1
1 813 . 12 1 1 A 71 71 SER HA H 71 4.550 4.946 -0.396 1
1 816 . 12 1 1 A 71 71 SER C C 71 174.200 172.127 2.073 1
1 817 . 12 1 1 A 71 71 SER CA C 71 57.700 56.015 1.685 1
1 818 . 12 1 1 A 71 71 SER CB C 71 64.100 65.580 -1.480 1
1 819 . 12 1 1 A 71 71 SER N N 71 122.200 122.057 0.143 1
1 820 . 12 1 1 A 72 72 ASP H H 72 8.470 8.784 -0.314 1
1 821 . 12 1 1 A 72 72 ASP HA H 72 4.720 4.920 -0.200 1
1 824 . 12 1 1 A 72 72 ASP C C 72 176.100 176.287 -0.187 1
1 825 . 12 1 1 A 72 72 ASP CA C 72 54.200 51.973 2.227 1
1 826 . 12 1 1 A 72 72 ASP CB C 72 41.200 43.545 -2.345 1
1 827 . 12 1 1 A 72 72 ASP N N 72 122.700 122.156 0.544 1
1 828 . 12 1 1 A 73 73 GLN H H 73 8.490 8.770 -0.280 1
1 829 . 12 1 1 A 73 73 GLN HA H 73 4.310 4.447 -0.137 1
1 834 . 12 1 1 A 73 73 GLN C C 73 176.000 176.149 -0.149 1
1 835 . 12 1 1 A 73 73 GLN CA C 73 56.100 57.553 -1.453 1
1 836 . 12 1 1 A 73 73 GLN CB C 73 29.200 30.325 -1.125 1
1 838 . 12 1 1 A 73 73 GLN N N 73 120.300 120.404 -0.104 1
1 839 . 12 1 1 A 74 74 LEU H H 74 8.250 7.422 0.828 1
1 840 . 12 1 1 A 74 74 LEU HA H 74 4.250 4.837 -0.587 1
1 850 . 12 1 1 A 74 74 LEU C C 74 177.100 175.089 2.011 1
1 851 . 12 1 1 A 74 74 LEU CA C 74 55.200 53.361 1.839 1
1 852 . 12 1 1 A 74 74 LEU CB C 74 42.100 46.816 -4.716 1
1 856 . 12 1 1 A 74 74 LEU N N 74 123.000 118.841 4.159 1
1 857 . 12 1 1 A 75 75 GLU H H 75 8.260 8.622 -0.362 1
1 858 . 12 1 1 A 75 75 GLU HA H 75 4.170 4.519 -0.349 1
1 863 . 12 1 1 A 75 75 GLU C C 75 176.200 175.528 0.672 1
1 864 . 12 1 1 A 75 75 GLU CA C 75 56.300 56.008 0.292 1
1 865 . 12 1 1 A 75 75 GLU CB C 75 29.800 29.607 0.193 1
1 867 . 12 1 1 A 75 75 GLU N N 75 120.700 123.599 -2.899 1
1 868 . 12 1 1 A 76 76 HIS H H 76 8.480 8.749 -0.269 1
1 869 . 12 1 1 A 76 76 HIS HA H 76 4.610 4.739 -0.129 1
1 872 . 12 1 1 A 76 76 HIS C C 76 174.200 175.900 -1.700 1
1 873 . 12 1 1 A 76 76 HIS CA C 76 55.100 57.312 -2.212 1
1 874 . 12 1 1 A 76 76 HIS CB C 76 28.700 31.078 -2.378 1
1 875 . 12 1 1 A 76 76 HIS N N 76 119.100 125.685 -6.585 1
1 876 . 12 1 1 A 77 77 HIS H H 77 8.540 8.331 0.209 1
1 877 . 12 1 1 A 77 77 HIS HA H 77 4.620 4.206 0.414 1
1 880 . 12 1 1 A 77 77 HIS C C 77 174.100 174.130 -0.030 1
1 881 . 12 1 1 A 77 77 HIS CA C 77 55.300 58.714 -3.414 1
1 882 . 12 1 1 A 77 77 HIS CB C 77 28.900 28.389 0.511 1
1 883 . 12 1 1 A 77 77 HIS N N 77 118.700 115.936 2.764 1
1 884 . 12 1 1 A 78 78 HIS H H 78 8.630 8.078 0.552 1
1 885 . 12 1 1 A 78 78 HIS HA H 78 4.660 4.752 -0.092 1
1 888 . 12 1 1 A 78 78 HIS C C 78 174.100 174.841 -0.741 1
1 889 . 12 1 1 A 78 78 HIS CA C 78 55.200 56.349 -1.149 1
1 890 . 12 1 1 A 78 78 HIS CB C 78 29.100 32.743 -3.643 1
1 891 . 12 1 1 A 78 78 HIS N N 78 119.500 115.453 4.047 1
1 892 . 12 1 1 A 79 79 HIS H H 79 8.690 8.603 0.087 1
1 893 . 12 1 1 A 79 79 HIS HA H 79 4.660 3.963 0.697 1
1 896 . 12 1 1 A 79 79 HIS C C 79 173.900 176.667 -2.767 1
1 897 . 12 1 1 A 79 79 HIS CA C 79 55.200 60.129 -4.929 1
1 898 . 12 1 1 A 79 79 HIS CB C 79 29.100 30.689 -1.589 1
1 899 . 12 1 1 A 79 79 HIS N N 79 120.400 124.230 -3.830 1
1 900 . 12 1 1 A 80 80 HIS H H 80 8.590 8.028 0.562 1
1 901 . 12 1 1 A 80 80 HIS HA H 80 4.630 4.746 -0.116 1
1 904 . 12 1 1 A 80 80 HIS C C 80 173.400 174.650 -1.250 1
1 905 . 12 1 1 A 80 80 HIS CA C 80 55.400 56.969 -1.569 1
1 906 . 12 1 1 A 80 80 HIS CB C 80 29.300 31.066 -1.766 1
1 907 . 12 1 1 A 80 80 HIS N N 80 120.600 118.053 2.547 1
1 7 . 13 1 1 A 2 2 GLU H H 2 8.850 7.758 1.092 1
1 8 . 13 1 1 A 2 2 GLU HA H 2 4.450 4.615 -0.165 1
1 13 . 13 1 1 A 2 2 GLU C C 2 175.400 175.602 -0.202 1
1 14 . 13 1 1 A 2 2 GLU CA C 2 55.900 55.846 0.054 1
1 15 . 13 1 1 A 2 2 GLU CB C 2 30.300 31.210 -0.910 1
1 17 . 13 1 1 A 2 2 GLU N N 2 123.600 118.971 4.629 1
1 18 . 13 1 1 A 3 3 ILE H H 3 8.590 8.698 -0.108 1
1 19 . 13 1 1 A 3 3 ILE HA H 3 4.310 4.390 -0.080 1
1 29 . 13 1 1 A 3 3 ILE C C 3 175.100 175.493 -0.393 1
1 30 . 13 1 1 A 3 3 ILE CA C 3 60.700 61.172 -0.472 1
1 31 . 13 1 1 A 3 3 ILE CB C 3 39.500 37.350 2.150 1
1 35 . 13 1 1 A 3 3 ILE N N 3 122.100 128.683 -6.583 1
1 36 . 13 1 1 A 4 4 THR H H 4 8.130 8.937 -0.807 1
1 37 . 13 1 1 A 4 4 THR HA H 4 4.540 4.675 -0.135 1
1 42 . 13 1 1 A 4 4 THR C C 4 173.000 173.973 -0.973 1
1 43 . 13 1 1 A 4 4 THR CA C 4 59.700 61.750 -2.050 1
1 44 . 13 1 1 A 4 4 THR CB C 4 71.400 70.379 1.021 1
1 46 . 13 1 1 A 4 4 THR N N 4 116.800 122.796 -5.996 1
1 47 . 13 1 1 A 5 5 CYS H H 5 8.700 8.883 -0.183 1
1 48 . 13 1 1 A 5 5 CYS HA H 5 3.960 4.393 -0.433 1
1 51 . 13 1 1 A 5 5 CYS CA C 5 56.800 57.615 -0.815 1
1 52 . 13 1 1 A 5 5 CYS CB C 5 32.000 28.313 3.687 1
1 53 . 13 1 1 A 5 5 CYS N N 5 125.600 125.909 -0.309 1
1 54 . 13 1 1 A 6 6 PRO HA H 6 4.260 4.247 0.013 1
1 61 . 13 1 1 A 6 6 PRO C C 6 176.000 177.873 -1.873 1
1 62 . 13 1 1 A 6 6 PRO CA C 6 63.900 64.060 -0.160 1
1 63 . 13 1 1 A 6 6 PRO CB C 6 32.100 31.972 0.128 1
1 66 . 13 1 1 A 7 7 VAL H H 7 9.210 6.858 2.352 1
1 67 . 13 1 1 A 7 7 VAL HA H 7 3.820 3.764 0.056 1
1 75 . 13 1 1 A 7 7 VAL CA C 7 64.900 64.408 0.492 1
1 76 . 13 1 1 A 7 7 VAL CB C 7 32.200 31.837 0.363 1
1 79 . 13 1 1 A 7 7 VAL N N 7 122.500 115.649 6.851 1
1 80 . 13 1 1 A 8 8 CYS HA H 8 4.560 4.463 0.097 1
1 83 . 13 1 1 A 8 8 CYS C C 8 176.800 174.131 2.669 1
1 84 . 13 1 1 A 8 8 CYS CA C 8 58.900 59.596 -0.696 1
1 85 . 13 1 1 A 8 8 CYS CB C 8 32.000 27.901 4.099 1
1 86 . 13 1 1 A 9 9 HIS H H 9 7.550 7.780 -0.230 1
1 87 . 13 1 1 A 9 9 HIS HA H 9 4.470 4.567 -0.097 1
1 91 . 13 1 1 A 9 9 HIS CA C 9 56.900 56.856 0.044 1
1 92 . 13 1 1 A 9 9 HIS CB C 9 25.900 26.676 -0.776 1
1 94 . 13 1 1 A 9 9 HIS N N 9 115.000 116.090 -1.090 1
1 95 . 13 1 1 A 10 10 HIS HA H 10 4.790 4.921 -0.131 1
1 100 . 13 1 1 A 10 10 HIS C C 10 174.700 173.204 1.496 1
1 101 . 13 1 1 A 10 10 HIS CA C 10 55.700 54.971 0.729 1
1 102 . 13 1 1 A 10 10 HIS CB C 10 29.800 33.761 -3.961 1
1 105 . 13 1 1 A 11 11 ALA H H 11 8.790 8.087 0.703 1
1 106 . 13 1 1 A 11 11 ALA HA H 11 4.310 4.087 0.223 1
1 110 . 13 1 1 A 11 11 ALA C C 11 177.800 177.702 0.098 1
1 111 . 13 1 1 A 11 11 ALA CA C 11 53.400 52.671 0.729 1
1 112 . 13 1 1 A 11 11 ALA CB C 11 18.600 18.956 -0.356 1
1 113 . 13 1 1 A 11 11 ALA N N 11 124.500 126.347 -1.847 1
1 114 . 13 1 1 A 12 12 LEU H H 12 8.480 8.564 -0.084 1
1 115 . 13 1 1 A 12 12 LEU HA H 12 4.640 4.514 0.126 1
1 125 . 13 1 1 A 12 12 LEU C C 12 176.900 176.615 0.285 1
1 126 . 13 1 1 A 12 12 LEU CA C 12 53.500 54.538 -1.038 1
1 127 . 13 1 1 A 12 12 LEU CB C 12 44.100 42.688 1.412 1
1 131 . 13 1 1 A 12 12 LEU N N 12 121.200 122.481 -1.281 1
1 132 . 13 1 1 A 13 13 GLU H H 13 8.600 9.013 -0.413 1
1 133 . 13 1 1 A 13 13 GLU HA H 13 4.590 4.669 -0.079 1
1 138 . 13 1 1 A 13 13 GLU C C 13 175.700 175.200 0.500 1
1 139 . 13 1 1 A 13 13 GLU CA C 13 54.700 55.724 -1.024 1
1 140 . 13 1 1 A 13 13 GLU CB C 13 30.200 30.416 -0.216 1
1 142 . 13 1 1 A 13 13 GLU N N 13 120.300 122.208 -1.908 1
1 143 . 13 1 1 A 14 14 ARG H H 14 9.010 8.931 0.079 1
1 144 . 13 1 1 A 14 14 ARG HA H 14 4.460 4.652 -0.192 1
1 151 . 13 1 1 A 14 14 ARG C C 14 174.900 176.381 -1.481 1
1 152 . 13 1 1 A 14 14 ARG CA C 14 56.400 55.728 0.672 1
1 153 . 13 1 1 A 14 14 ARG CB C 14 31.800 30.412 1.388 1
1 156 . 13 1 1 A 14 14 ARG N N 14 126.500 128.081 -1.581 1
1 157 . 13 1 1 A 15 15 ASN H H 15 8.670 8.954 -0.284 1
1 158 . 13 1 1 A 15 15 ASN HA H 15 4.850 4.713 0.137 1
1 161 . 13 1 1 A 15 15 ASN C C 15 174.900 175.689 -0.789 1
1 162 . 13 1 1 A 15 15 ASN CA C 15 52.100 52.994 -0.894 1
1 163 . 13 1 1 A 15 15 ASN CB C 15 39.200 39.383 -0.183 1
1 164 . 13 1 1 A 15 15 ASN N N 15 125.100 125.001 0.099 1
1 165 . 13 1 1 A 16 16 GLY H H 16 8.880 8.268 0.612 1
1 166 . 13 1 1 A 16 16 GLY HA2 H 16 3.570 4.077 -0.507 1
1 167 . 13 1 1 A 16 16 GLY HA3 H 16 4.000 4.094 -0.094 1
1 168 . 13 1 1 A 16 16 GLY C C 16 173.700 174.047 -0.347 1
1 169 . 13 1 1 A 16 16 GLY CA C 16 47.200 44.561 2.639 1
1 170 . 13 1 1 A 16 16 GLY N N 16 114.400 107.260 7.140 1
1 171 . 13 1 1 A 17 17 ASP H H 17 8.600 8.916 -0.316 1
1 172 . 13 1 1 A 17 17 ASP HA H 17 4.600 4.672 -0.072 1
1 175 . 13 1 1 A 17 17 ASP C C 17 174.800 175.041 -0.241 1
1 176 . 13 1 1 A 17 17 ASP CA C 17 53.800 55.851 -2.051 1
1 177 . 13 1 1 A 17 17 ASP CB C 17 40.200 40.642 -0.442 1
1 178 . 13 1 1 A 17 17 ASP N N 17 126.400 123.963 2.437 1
1 179 . 13 1 1 A 18 18 THR H H 18 7.710 8.214 -0.504 1
1 180 . 13 1 1 A 18 18 THR HA H 18 5.120 4.888 0.232 1
1 185 . 13 1 1 A 18 18 THR C C 18 171.900 172.719 -0.819 1
1 186 . 13 1 1 A 18 18 THR CA C 18 60.400 61.319 -0.919 1
1 187 . 13 1 1 A 18 18 THR CB C 18 72.300 71.069 1.231 1
1 189 . 13 1 1 A 18 18 THR N N 18 112.300 114.673 -2.373 1
1 190 . 13 1 1 A 19 19 ALA H H 19 9.090 9.572 -0.482 1
1 191 . 13 1 1 A 19 19 ALA HA H 19 5.250 5.197 0.053 1
1 195 . 13 1 1 A 19 19 ALA C C 19 175.000 175.586 -0.586 1
1 196 . 13 1 1 A 19 19 ALA CA C 19 50.300 50.262 0.038 1
1 197 . 13 1 1 A 19 19 ALA CB C 19 23.900 21.134 2.766 1
1 198 . 13 1 1 A 19 19 ALA N N 19 123.300 128.518 -5.218 1
1 199 . 13 1 1 A 20 20 HIS H H 20 9.130 9.291 -0.161 1
1 200 . 13 1 1 A 20 20 HIS HA H 20 5.550 5.331 0.219 1
1 205 . 13 1 1 A 20 20 HIS C C 20 173.100 173.797 -0.697 1
1 206 . 13 1 1 A 20 20 HIS CA C 20 54.700 54.608 0.092 1
1 207 . 13 1 1 A 20 20 HIS CB C 20 31.900 32.483 -0.583 1
1 210 . 13 1 1 A 20 20 HIS N N 20 120.000 124.689 -4.689 1
1 211 . 13 1 1 A 21 21 CYS H H 21 8.910 7.933 0.977 1
1 212 . 13 1 1 A 21 21 CYS HA H 21 4.700 4.510 0.190 1
1 215 . 13 1 1 A 21 21 CYS C C 21 176.400 176.026 0.374 1
1 216 . 13 1 1 A 21 21 CYS CA C 21 57.900 58.588 -0.688 1
1 217 . 13 1 1 A 21 21 CYS CB C 21 31.700 28.961 2.739 1
1 218 . 13 1 1 A 21 21 CYS N N 21 129.200 127.484 1.716 1
1 219 . 13 1 1 A 22 22 GLU H H 22 9.030 9.208 -0.178 1
1 220 . 13 1 1 A 22 22 GLU HA H 22 4.130 4.189 -0.059 1
1 225 . 13 1 1 A 22 22 GLU C C 22 177.400 177.371 0.029 1
1 226 . 13 1 1 A 22 22 GLU CA C 22 58.200 59.678 -1.478 1
1 227 . 13 1 1 A 22 22 GLU CB C 22 29.500 29.285 0.215 1
1 229 . 13 1 1 A 22 22 GLU N N 22 128.800 128.365 0.435 1
1 230 . 13 1 1 A 23 23 THR H H 23 8.360 7.202 1.158 1
1 231 . 13 1 1 A 23 23 THR HA H 23 3.920 4.720 -0.800 1
1 236 . 13 1 1 A 23 23 THR C C 23 176.500 172.899 3.601 1
1 237 . 13 1 1 A 23 23 THR CA C 23 66.800 61.006 5.794 1
1 238 . 13 1 1 A 23 23 THR CB C 23 69.100 68.912 0.188 1
1 240 . 13 1 1 A 23 23 THR N N 23 119.800 105.573 14.227 1
1 241 . 13 1 1 A 24 24 CYS H H 24 9.570 7.665 1.905 1
1 242 . 13 1 1 A 24 24 CYS HA H 24 3.880 4.940 -1.060 1
1 245 . 13 1 1 A 24 24 CYS C C 24 174.900 173.113 1.787 1
1 246 . 13 1 1 A 24 24 CYS CA C 24 62.000 57.428 4.572 1
1 247 . 13 1 1 A 24 24 CYS CB C 24 30.300 33.212 -2.912 1
1 248 . 13 1 1 A 24 24 CYS N N 24 123.600 119.191 4.409 1
1 249 . 13 1 1 A 25 25 ALA H H 25 7.720 8.186 -0.466 1
1 250 . 13 1 1 A 25 25 ALA HA H 25 3.820 4.570 -0.750 1
1 254 . 13 1 1 A 25 25 ALA C C 25 175.400 176.424 -1.024 1
1 255 . 13 1 1 A 25 25 ALA CA C 25 52.500 51.278 1.222 1
1 256 . 13 1 1 A 25 25 ALA CB C 25 16.000 19.298 -3.298 1
1 257 . 13 1 1 A 25 25 ALA N N 25 121.400 123.387 -1.987 1
1 258 . 13 1 1 A 26 26 LYS H H 26 6.910 7.396 -0.486 1
1 259 . 13 1 1 A 26 26 LYS HA H 26 4.450 4.597 -0.147 1
1 268 . 13 1 1 A 26 26 LYS CA C 26 54.600 54.511 0.089 1
1 269 . 13 1 1 A 26 26 LYS CB C 26 37.900 34.484 3.416 1
1 273 . 13 1 1 A 26 26 LYS N N 26 116.100 116.797 -0.697 1
1 274 . 13 1 1 A 27 27 ASP HA H 27 5.610 5.403 0.207 1
1 277 . 13 1 1 A 27 27 ASP C C 27 174.400 175.028 -0.628 1
1 278 . 13 1 1 A 27 27 ASP CA C 27 53.000 52.634 0.366 1
1 279 . 13 1 1 A 27 27 ASP CB C 27 44.200 43.582 0.618 1
1 280 . 13 1 1 A 28 28 PHE H H 28 9.200 9.420 -0.220 1
1 281 . 13 1 1 A 28 28 PHE HA H 28 4.890 5.083 -0.193 1
1 289 . 13 1 1 A 28 28 PHE C C 28 175.500 175.624 -0.124 1
1 290 . 13 1 1 A 28 28 PHE CA C 28 56.800 56.970 -0.170 1
1 291 . 13 1 1 A 28 28 PHE CB C 28 42.900 41.373 1.527 1
1 297 . 13 1 1 A 28 28 PHE N N 28 118.100 122.684 -4.584 1
1 298 . 13 1 1 A 29 29 SER H H 29 9.070 8.984 0.086 1
1 299 . 13 1 1 A 29 29 SER HA H 29 4.750 4.895 -0.145 1
1 302 . 13 1 1 A 29 29 SER C C 29 173.400 174.075 -0.675 1
1 303 . 13 1 1 A 29 29 SER CA C 29 58.400 58.726 -0.326 1
1 304 . 13 1 1 A 29 29 SER CB C 29 64.100 63.816 0.284 1
1 305 . 13 1 1 A 29 29 SER N N 29 118.400 120.228 -1.828 1
1 306 . 13 1 1 A 30 30 LEU H H 30 8.180 9.336 -1.156 1
1 307 . 13 1 1 A 30 30 LEU HA H 30 5.200 5.193 0.007 1
1 317 . 13 1 1 A 30 30 LEU CA C 30 53.100 53.975 -0.875 1
1 318 . 13 1 1 A 30 30 LEU CB C 30 44.800 42.637 2.163 1
1 322 . 13 1 1 A 30 30 LEU N N 30 122.200 127.518 -5.318 1
1 323 . 13 1 1 A 31 31 GLN HA H 31 4.680 4.889 -0.209 1
1 328 . 13 1 1 A 31 31 GLN C C 31 173.600 174.361 -0.761 1
1 329 . 13 1 1 A 31 31 GLN CA C 31 54.200 53.690 0.510 1
1 330 . 13 1 1 A 31 31 GLN CB C 31 31.800 31.980 -0.180 1
1 332 . 13 1 1 A 32 32 ALA H H 32 8.560 8.324 0.236 1
1 333 . 13 1 1 A 32 32 ALA HA H 32 3.990 4.611 -0.621 1
1 337 . 13 1 1 A 32 32 ALA C C 32 175.600 176.499 -0.899 1
1 338 . 13 1 1 A 32 32 ALA CA C 32 50.900 50.645 0.255 1
1 339 . 13 1 1 A 32 32 ALA CB C 32 20.300 19.715 0.585 1
1 340 . 13 1 1 A 32 32 ALA N N 32 128.100 127.005 1.095 1
1 341 . 13 1 1 A 33 33 LEU H H 33 8.740 8.984 -0.244 1
1 342 . 13 1 1 A 33 33 LEU HA H 33 4.560 4.953 -0.393 1
1 352 . 13 1 1 A 33 33 LEU C C 33 175.400 176.268 -0.868 1
1 353 . 13 1 1 A 33 33 LEU CA C 33 52.700 53.323 -0.623 1
1 354 . 13 1 1 A 33 33 LEU CB C 33 44.200 45.400 -1.200 1
1 358 . 13 1 1 A 33 33 LEU N N 33 124.500 123.085 1.415 1
1 359 . 13 1 1 A 34 34 CYS H H 34 8.260 8.765 -0.505 1
1 360 . 13 1 1 A 34 34 CYS HA H 34 4.270 5.150 -0.880 1
1 363 . 13 1 1 A 34 34 CYS CA C 34 56.900 56.123 0.777 1
1 364 . 13 1 1 A 34 34 CYS CB C 34 31.400 30.220 1.180 1
1 365 . 13 1 1 A 34 34 CYS N N 34 123.600 119.163 4.437 1
1 366 . 13 1 1 A 35 35 PRO HA H 35 4.290 4.291 -0.001 1
1 373 . 13 1 1 A 35 35 PRO C C 35 176.100 176.388 -0.288 1
1 374 . 13 1 1 A 35 35 PRO CA C 35 63.700 63.883 -0.183 1
1 375 . 13 1 1 A 35 35 PRO CB C 35 31.600 31.945 -0.345 1
1 378 . 13 1 1 A 36 36 ASP H H 36 8.980 8.850 0.130 1
1 379 . 13 1 1 A 36 36 ASP HA H 36 4.600 4.189 0.411 1
1 382 . 13 1 1 A 36 36 ASP C C 36 176.500 175.886 0.614 1
1 383 . 13 1 1 A 36 36 ASP CA C 36 56.400 56.182 0.218 1
1 384 . 13 1 1 A 36 36 ASP CB C 36 40.100 39.314 0.786 1
1 385 . 13 1 1 A 36 36 ASP N N 36 122.200 115.572 6.628 1
1 386 . 13 1 1 A 37 37 CYS H H 37 7.840 8.157 -0.317 1
1 387 . 13 1 1 A 37 37 CYS HA H 37 5.000 4.444 0.556 1
1 390 . 13 1 1 A 37 37 CYS C C 37 175.400 174.487 0.913 1
1 391 . 13 1 1 A 37 37 CYS CA C 37 58.400 58.397 0.003 1
1 392 . 13 1 1 A 37 37 CYS CB C 37 32.300 26.652 5.648 1
1 393 . 13 1 1 A 37 37 CYS N N 37 116.000 117.380 -1.380 1
1 394 . 13 1 1 A 38 38 ARG H H 38 7.880 8.298 -0.418 1
1 395 . 13 1 1 A 38 38 ARG HA H 38 4.050 4.231 -0.181 1
1 402 . 13 1 1 A 38 38 ARG C C 38 173.700 176.431 -2.731 1
1 403 . 13 1 1 A 38 38 ARG CA C 38 58.100 57.838 0.262 1
1 404 . 13 1 1 A 38 38 ARG CB C 38 27.400 29.929 -2.529 1
1 407 . 13 1 1 A 38 38 ARG N N 38 117.700 126.155 -8.455 1
1 408 . 13 1 1 A 39 39 GLN H H 39 7.720 7.732 -0.012 1
1 409 . 13 1 1 A 39 39 GLN HA H 39 4.710 4.392 0.318 1
1 414 . 13 1 1 A 39 39 GLN CA C 39 53.900 57.508 -3.608 1
1 415 . 13 1 1 A 39 39 GLN CB C 39 28.100 30.350 -2.250 1
1 417 . 13 1 1 A 39 39 GLN N N 39 117.500 116.176 1.324 1
1 418 . 13 1 1 A 40 40 PRO HA H 40 4.570 4.467 0.103 1
1 425 . 13 1 1 A 40 40 PRO C C 40 176.600 176.176 0.424 1
1 426 . 13 1 1 A 40 40 PRO CA C 40 63.700 63.051 0.649 1
1 427 . 13 1 1 A 40 40 PRO CB C 40 31.900 31.622 0.278 1
1 430 . 13 1 1 A 41 41 LEU H H 41 8.170 8.291 -0.121 1
1 431 . 13 1 1 A 41 41 LEU HA H 41 4.460 5.135 -0.675 1
1 441 . 13 1 1 A 41 41 LEU C C 41 177.200 175.642 1.558 1
1 442 . 13 1 1 A 41 41 LEU CA C 41 54.000 53.214 0.786 1
1 443 . 13 1 1 A 41 41 LEU CB C 41 43.200 46.880 -3.680 1
1 447 . 13 1 1 A 41 41 LEU N N 41 124.100 124.850 -0.750 1
1 448 . 13 1 1 A 42 42 GLN H H 42 9.240 8.443 0.797 1
1 449 . 13 1 1 A 42 42 GLN HA H 42 4.490 4.736 -0.246 1
1 454 . 13 1 1 A 42 42 GLN C C 42 175.000 174.956 0.044 1
1 455 . 13 1 1 A 42 42 GLN CA C 42 55.300 55.658 -0.358 1
1 456 . 13 1 1 A 42 42 GLN CB C 42 29.600 29.482 0.118 1
1 458 . 13 1 1 A 42 42 GLN N N 42 122.100 121.595 0.505 1
1 459 . 13 1 1 A 43 43 VAL H H 43 8.600 8.668 -0.068 1
1 460 . 13 1 1 A 43 43 VAL HA H 43 4.260 3.945 0.315 1
1 468 . 13 1 1 A 43 43 VAL C C 43 175.500 175.215 0.285 1
1 469 . 13 1 1 A 43 43 VAL CA C 43 62.100 62.821 -0.721 1
1 470 . 13 1 1 A 43 43 VAL CB C 43 32.000 30.370 1.630 1
1 473 . 13 1 1 A 43 43 VAL N N 43 126.400 126.067 0.333 1
1 474 . 13 1 1 A 44 44 LEU H H 44 8.940 9.152 -0.212 1
1 475 . 13 1 1 A 44 44 LEU HA H 44 4.510 4.758 -0.248 1
1 485 . 13 1 1 A 44 44 LEU C C 44 175.500 175.691 -0.191 1
1 486 . 13 1 1 A 44 44 LEU CA C 44 53.400 54.305 -0.905 1
1 487 . 13 1 1 A 44 44 LEU CB C 44 42.800 40.832 1.968 1
1 491 . 13 1 1 A 44 44 LEU N N 44 130.200 129.221 0.979 1
1 492 . 13 1 1 A 45 45 LYS H H 45 8.520 8.344 0.176 1
1 493 . 13 1 1 A 45 45 LYS HA H 45 4.830 4.735 0.095 1
1 502 . 13 1 1 A 45 45 LYS C C 45 175.600 175.045 0.555 1
1 503 . 13 1 1 A 45 45 LYS CA C 45 55.700 55.572 0.128 1
1 504 . 13 1 1 A 45 45 LYS CB C 45 33.500 32.177 1.323 1
1 508 . 13 1 1 A 45 45 LYS N N 45 123.700 124.585 -0.885 1
1 509 . 13 1 1 A 46 46 ALA H H 46 8.220 8.329 -0.109 1
1 510 . 13 1 1 A 46 46 ALA HA H 46 4.540 4.844 -0.304 1
1 514 . 13 1 1 A 46 46 ALA C C 46 176.900 175.988 0.912 1
1 515 . 13 1 1 A 46 46 ALA CA C 46 51.900 49.943 1.957 1
1 516 . 13 1 1 A 46 46 ALA CB C 46 20.700 22.620 -1.920 1
1 517 . 13 1 1 A 46 46 ALA N N 46 126.400 126.711 -0.311 1
1 518 . 13 1 1 A 47 47 CYS H H 47 9.200 8.513 0.687 1
1 519 . 13 1 1 A 47 47 CYS HA H 47 4.080 4.378 -0.298 1
1 522 . 13 1 1 A 47 47 CYS C C 47 175.100 175.433 -0.333 1
1 523 . 13 1 1 A 47 47 CYS CA C 47 59.700 60.467 -0.767 1
1 524 . 13 1 1 A 47 47 CYS CB C 47 25.800 27.182 -1.382 1
1 525 . 13 1 1 A 47 47 CYS N N 47 120.400 119.251 1.149 1
1 526 . 13 1 1 A 48 48 GLY H H 48 8.620 8.660 -0.040 1
1 527 . 13 1 1 A 48 48 GLY HA2 H 48 3.670 3.979 -0.309 1
1 528 . 13 1 1 A 48 48 GLY HA3 H 48 4.070 3.982 0.088 1
1 529 . 13 1 1 A 48 48 GLY C C 48 173.100 173.640 -0.540 1
1 530 . 13 1 1 A 48 48 GLY CA C 48 45.500 45.099 0.401 1
1 531 . 13 1 1 A 48 48 GLY N N 48 109.000 113.802 -4.802 1
1 532 . 13 1 1 A 49 49 ALA H H 49 7.820 7.553 0.267 1
1 533 . 13 1 1 A 49 49 ALA HA H 49 4.620 4.606 0.014 1
1 537 . 13 1 1 A 49 49 ALA C C 49 176.000 175.905 0.095 1
1 538 . 13 1 1 A 49 49 ALA CA C 49 51.000 51.525 -0.525 1
1 539 . 13 1 1 A 49 49 ALA CB C 49 21.300 19.965 1.335 1
1 540 . 13 1 1 A 49 49 ALA N N 49 124.000 121.402 2.598 1
1 541 . 13 1 1 A 50 50 VAL H H 50 8.100 9.048 -0.948 1
1 542 . 13 1 1 A 50 50 VAL HA H 50 4.560 4.914 -0.354 1
1 550 . 13 1 1 A 50 50 VAL C C 50 174.300 174.920 -0.620 1
1 551 . 13 1 1 A 50 50 VAL CA C 50 61.400 61.651 -0.251 1
1 552 . 13 1 1 A 50 50 VAL CB C 50 33.800 32.826 0.974 1
1 555 . 13 1 1 A 50 50 VAL N N 50 119.600 123.624 -4.024 1
1 556 . 13 1 1 A 51 51 ASP H H 51 8.640 9.212 -0.572 1
1 557 . 13 1 1 A 51 51 ASP HA H 51 5.030 5.513 -0.483 1
1 560 . 13 1 1 A 51 51 ASP C C 51 173.000 174.821 -1.821 1
1 561 . 13 1 1 A 51 51 ASP CA C 51 52.000 52.959 -0.959 1
1 562 . 13 1 1 A 51 51 ASP CB C 51 43.900 44.407 -0.507 1
1 563 . 13 1 1 A 51 51 ASP N N 51 124.900 126.920 -2.020 1
1 564 . 13 1 1 A 52 52 TYR H H 52 8.950 9.140 -0.190 1
1 565 . 13 1 1 A 52 52 TYR HA H 52 5.150 5.206 -0.056 1
1 572 . 13 1 1 A 52 52 TYR C C 52 174.500 174.826 -0.326 1
1 573 . 13 1 1 A 52 52 TYR CA C 52 57.300 57.058 0.242 1
1 574 . 13 1 1 A 52 52 TYR CB C 52 41.200 38.375 2.825 1
1 579 . 13 1 1 A 52 52 TYR N N 52 118.500 123.033 -4.533 1
1 580 . 13 1 1 A 53 53 PHE H H 53 9.250 8.869 0.381 1
1 581 . 13 1 1 A 53 53 PHE HA H 53 5.040 4.981 0.059 1
1 588 . 13 1 1 A 53 53 PHE C C 53 173.200 174.338 -1.138 1
1 589 . 13 1 1 A 53 53 PHE CA C 53 56.400 57.799 -1.399 1
1 590 . 13 1 1 A 53 53 PHE CB C 53 44.300 42.057 2.243 1
1 595 . 13 1 1 A 53 53 PHE N N 53 123.100 124.332 -1.232 1
1 596 . 13 1 1 A 54 54 CYS H H 54 9.160 8.767 0.393 1
1 597 . 13 1 1 A 54 54 CYS HA H 54 4.690 4.553 0.137 1
1 600 . 13 1 1 A 54 54 CYS C C 54 175.700 173.928 1.772 1
1 601 . 13 1 1 A 54 54 CYS CA C 54 58.200 58.904 -0.704 1
1 602 . 13 1 1 A 54 54 CYS CB C 54 29.600 27.196 2.404 1
1 603 . 13 1 1 A 54 54 CYS N N 54 130.800 125.489 5.311 1
1 604 . 13 1 1 A 55 55 GLN H H 55 9.260 9.003 0.257 1
1 605 . 13 1 1 A 55 55 GLN HA H 55 4.300 4.640 -0.340 1
1 610 . 13 1 1 A 55 55 GLN C C 55 174.400 175.859 -1.459 1
1 611 . 13 1 1 A 55 55 GLN CA C 55 56.900 56.425 0.475 1
1 612 . 13 1 1 A 55 55 GLN CB C 55 28.900 31.435 -2.535 1
1 614 . 13 1 1 A 55 55 GLN N N 55 129.000 124.002 4.998 1
1 615 . 13 1 1 A 56 56 ASN H H 56 9.100 8.541 0.559 1
1 616 . 13 1 1 A 56 56 ASN HA H 56 4.860 5.014 -0.154 1
1 619 . 13 1 1 A 56 56 ASN C C 56 174.100 175.872 -1.772 1
1 620 . 13 1 1 A 56 56 ASN CA C 56 52.100 52.055 0.045 1
1 621 . 13 1 1 A 56 56 ASN CB C 56 39.500 40.757 -1.257 1
1 622 . 13 1 1 A 56 56 ASN N N 56 122.300 117.770 4.530 1
1 623 . 13 1 1 A 57 57 GLY H H 57 7.180 8.716 -1.536 1
1 624 . 13 1 1 A 57 57 GLY HA2 H 57 3.450 3.901 -0.451 1
1 625 . 13 1 1 A 57 57 GLY HA3 H 57 4.000 3.907 0.093 1
1 626 . 13 1 1 A 57 57 GLY C C 57 175.800 175.101 0.699 1
1 627 . 13 1 1 A 57 57 GLY CA C 57 45.100 47.191 -2.091 1
1 628 . 13 1 1 A 57 57 GLY N N 57 104.200 113.480 -9.280 1
1 629 . 13 1 1 A 58 58 HIS H H 58 7.380 8.094 -0.714 1
1 630 . 13 1 1 A 58 58 HIS HA H 58 4.620 4.176 0.444 1
1 633 . 13 1 1 A 58 58 HIS C C 58 174.100 175.320 -1.220 1
1 634 . 13 1 1 A 58 58 HIS CA C 58 59.600 58.913 0.687 1
1 635 . 13 1 1 A 58 58 HIS CB C 58 30.100 30.989 -0.889 1
1 636 . 13 1 1 A 58 58 HIS N N 58 116.000 123.917 -7.917 1
1 637 . 13 1 1 A 59 59 GLY H H 59 7.610 7.355 0.255 1
1 638 . 13 1 1 A 59 59 GLY HA2 H 59 2.930 3.780 -0.850 1
1 639 . 13 1 1 A 59 59 GLY HA3 H 59 3.700 3.853 -0.153 1
1 640 . 13 1 1 A 59 59 GLY C C 59 173.100 172.733 0.367 1
1 641 . 13 1 1 A 59 59 GLY CA C 59 45.500 44.006 1.494 1
1 642 . 13 1 1 A 59 59 GLY N N 59 108.000 105.354 2.646 1
1 643 . 13 1 1 A 60 60 LEU H H 60 8.450 8.195 0.255 1
1 644 . 13 1 1 A 60 60 LEU HA H 60 4.620 4.074 0.546 1
1 654 . 13 1 1 A 60 60 LEU C C 60 176.800 176.060 0.740 1
1 655 . 13 1 1 A 60 60 LEU CA C 60 55.700 53.723 1.977 1
1 656 . 13 1 1 A 60 60 LEU CB C 60 42.200 42.657 -0.457 1
1 660 . 13 1 1 A 60 60 LEU N N 60 124.300 117.993 6.307 1
1 661 . 13 1 1 A 61 61 ILE H H 61 8.740 8.296 0.444 1
1 662 . 13 1 1 A 61 61 ILE HA H 61 4.200 4.575 -0.375 1
1 672 . 13 1 1 A 61 61 ILE C C 61 175.500 175.918 -0.418 1
1 673 . 13 1 1 A 61 61 ILE CA C 61 57.000 59.612 -2.612 1
1 674 . 13 1 1 A 61 61 ILE CB C 61 37.400 40.081 -2.681 1
1 678 . 13 1 1 A 61 61 ILE N N 61 128.500 124.178 4.322 1
1 679 . 13 1 1 A 62 62 SER H H 62 8.490 8.702 -0.212 1
1 680 . 13 1 1 A 62 62 SER HA H 62 4.380 4.518 -0.138 1
1 683 . 13 1 1 A 62 62 SER C C 62 176.500 175.068 1.432 1
1 684 . 13 1 1 A 62 62 SER CA C 62 58.300 60.285 -1.985 1
1 685 . 13 1 1 A 62 62 SER CB C 62 63.500 63.700 -0.200 1
1 686 . 13 1 1 A 62 62 SER N N 62 121.700 123.048 -1.348 1
1 687 . 13 1 1 A 63 63 LYS H H 63 9.040 8.852 0.188 1
1 688 . 13 1 1 A 63 63 LYS HA H 63 3.910 4.173 -0.263 1
1 697 . 13 1 1 A 63 63 LYS C C 63 178.200 177.641 0.559 1
1 698 . 13 1 1 A 63 63 LYS CA C 63 60.300 59.779 0.521 1
1 699 . 13 1 1 A 63 63 LYS CB C 63 32.000 32.622 -0.622 1
1 703 . 13 1 1 A 63 63 LYS N N 63 126.000 126.189 -0.189 1
1 704 . 13 1 1 A 64 64 LYS H H 64 8.090 7.757 0.333 1
1 705 . 13 1 1 A 64 64 LYS HA H 64 4.190 4.205 -0.015 1
1 714 . 13 1 1 A 64 64 LYS C C 64 177.000 177.657 -0.657 1
1 715 . 13 1 1 A 64 64 LYS CA C 64 58.000 58.268 -0.268 1
1 716 . 13 1 1 A 64 64 LYS CB C 64 32.300 32.359 -0.059 1
1 720 . 13 1 1 A 64 64 LYS N N 64 115.400 118.601 -3.201 1
1 721 . 13 1 1 A 65 65 ARG H H 65 7.960 8.141 -0.181 1
1 722 . 13 1 1 A 65 65 ARG HA H 65 4.280 4.552 -0.272 1
1 729 . 13 1 1 A 65 65 ARG C C 65 176.000 175.883 0.117 1
1 730 . 13 1 1 A 65 65 ARG CA C 65 55.900 55.392 0.508 1
1 731 . 13 1 1 A 65 65 ARG CB C 65 32.000 31.457 0.543 1
1 734 . 13 1 1 A 65 65 ARG N N 65 116.600 117.388 -0.788 1
1 735 . 13 1 1 A 66 66 VAL H H 66 6.810 7.446 -0.636 1
1 736 . 13 1 1 A 66 66 VAL HA H 66 2.800 3.947 -1.147 1
1 744 . 13 1 1 A 66 66 VAL C C 66 174.500 175.407 -0.907 1
1 745 . 13 1 1 A 66 66 VAL CA C 66 65.000 62.937 2.063 1
1 746 . 13 1 1 A 66 66 VAL CB C 66 32.000 32.345 -0.345 1
1 749 . 13 1 1 A 66 66 VAL N N 66 119.600 120.950 -1.350 1
1 750 . 13 1 1 A 67 67 ASN H H 67 7.270 8.514 -1.244 1
1 751 . 13 1 1 A 67 67 ASN HA H 67 4.840 5.055 -0.215 1
1 756 . 13 1 1 A 67 67 ASN C C 67 173.200 174.121 -0.921 1
1 757 . 13 1 1 A 67 67 ASN CA C 67 51.200 52.835 -1.635 1
1 758 . 13 1 1 A 67 67 ASN CB C 67 39.100 37.965 1.135 1
1 759 . 13 1 1 A 67 67 ASN N N 67 123.500 127.144 -3.644 1
1 761 . 13 1 1 A 68 68 PHE H H 68 8.180 8.703 -0.523 1
1 762 . 13 1 1 A 68 68 PHE HA H 68 5.170 5.035 0.135 1
1 770 . 13 1 1 A 68 68 PHE C C 68 175.300 175.494 -0.194 1
1 771 . 13 1 1 A 68 68 PHE CA C 68 58.000 57.660 0.340 1
1 772 . 13 1 1 A 68 68 PHE CB C 68 41.100 38.231 2.869 1
1 778 . 13 1 1 A 68 68 PHE N N 68 123.300 124.352 -1.052 1
1 779 . 13 1 1 A 69 69 VAL H H 69 8.660 8.977 -0.317 1
1 780 . 13 1 1 A 69 69 VAL HA H 69 4.520 4.952 -0.432 1
1 788 . 13 1 1 A 69 69 VAL C C 69 175.100 174.747 0.353 1
1 789 . 13 1 1 A 69 69 VAL CA C 69 59.200 58.982 0.218 1
1 790 . 13 1 1 A 69 69 VAL CB C 69 35.100 35.334 -0.234 1
1 793 . 13 1 1 A 69 69 VAL N N 69 116.500 117.620 -1.120 1
1 794 . 13 1 1 A 70 70 ILE H H 70 8.480 8.810 -0.330 1
1 795 . 13 1 1 A 70 70 ILE HA H 70 4.350 4.755 -0.405 1
1 805 . 13 1 1 A 70 70 ILE C C 70 176.400 176.906 -0.506 1
1 806 . 13 1 1 A 70 70 ILE CA C 70 61.300 61.256 0.044 1
1 807 . 13 1 1 A 70 70 ILE CB C 70 38.200 36.805 1.395 1
1 811 . 13 1 1 A 70 70 ILE N N 70 123.100 123.505 -0.405 1
1 812 . 13 1 1 A 71 71 SER H H 71 8.770 8.471 0.299 1
1 813 . 13 1 1 A 71 71 SER HA H 71 4.550 4.381 0.169 1
1 816 . 13 1 1 A 71 71 SER C C 71 174.200 173.312 0.888 1
1 817 . 13 1 1 A 71 71 SER CA C 71 57.700 58.527 -0.827 1
1 818 . 13 1 1 A 71 71 SER CB C 71 64.100 63.154 0.946 1
1 819 . 13 1 1 A 71 71 SER N N 71 122.200 120.913 1.287 1
1 820 . 13 1 1 A 72 72 ASP H H 72 8.470 7.860 0.610 1
1 821 . 13 1 1 A 72 72 ASP HA H 72 4.720 4.941 -0.221 1
1 824 . 13 1 1 A 72 72 ASP C C 72 176.100 175.364 0.736 1
1 825 . 13 1 1 A 72 72 ASP CA C 72 54.200 52.056 2.144 1
1 826 . 13 1 1 A 72 72 ASP CB C 72 41.200 43.706 -2.506 1
1 827 . 13 1 1 A 72 72 ASP N N 72 122.700 122.564 0.136 1
1 828 . 13 1 1 A 73 73 GLN H H 73 8.490 8.844 -0.354 1
1 829 . 13 1 1 A 73 73 GLN HA H 73 4.310 4.165 0.145 1
1 834 . 13 1 1 A 73 73 GLN C C 73 176.000 173.857 2.143 1
1 835 . 13 1 1 A 73 73 GLN CA C 73 56.100 57.981 -1.881 1
1 836 . 13 1 1 A 73 73 GLN CB C 73 29.200 27.365 1.835 1
1 838 . 13 1 1 A 73 73 GLN N N 73 120.300 118.905 1.395 1
1 839 . 13 1 1 A 74 74 LEU H H 74 8.250 8.581 -0.331 1
1 840 . 13 1 1 A 74 74 LEU HA H 74 4.250 4.982 -0.732 1
1 850 . 13 1 1 A 74 74 LEU C C 74 177.100 176.466 0.634 1
1 851 . 13 1 1 A 74 74 LEU CA C 74 55.200 53.492 1.708 1
1 852 . 13 1 1 A 74 74 LEU CB C 74 42.100 45.395 -3.295 1
1 856 . 13 1 1 A 74 74 LEU N N 74 123.000 121.776 1.224 1
1 857 . 13 1 1 A 75 75 GLU H H 75 8.260 9.178 -0.918 1
1 858 . 13 1 1 A 75 75 GLU HA H 75 4.170 4.047 0.123 1
1 863 . 13 1 1 A 75 75 GLU C C 75 176.200 176.712 -0.512 1
1 864 . 13 1 1 A 75 75 GLU CA C 75 56.300 59.445 -3.145 1
1 865 . 13 1 1 A 75 75 GLU CB C 75 29.800 30.111 -0.311 1
1 867 . 13 1 1 A 75 75 GLU N N 75 120.700 125.414 -4.714 1
1 868 . 13 1 1 A 76 76 HIS H H 76 8.480 8.178 0.302 1
1 869 . 13 1 1 A 76 76 HIS HA H 76 4.610 4.286 0.324 1
1 872 . 13 1 1 A 76 76 HIS C C 76 174.200 174.531 -0.331 1
1 873 . 13 1 1 A 76 76 HIS CA C 76 55.100 57.199 -2.099 1
1 874 . 13 1 1 A 76 76 HIS CB C 76 28.700 29.015 -0.315 1
1 875 . 13 1 1 A 76 76 HIS N N 76 119.100 118.459 0.641 1
1 876 . 13 1 1 A 77 77 HIS H H 77 8.540 8.642 -0.102 1
1 877 . 13 1 1 A 77 77 HIS HA H 77 4.620 4.079 0.541 1
1 880 . 13 1 1 A 77 77 HIS C C 77 174.100 175.863 -1.763 1
1 881 . 13 1 1 A 77 77 HIS CA C 77 55.300 56.700 -1.400 1
1 882 . 13 1 1 A 77 77 HIS CB C 77 28.900 27.883 1.017 1
1 883 . 13 1 1 A 77 77 HIS N N 77 118.700 116.879 1.821 1
1 884 . 13 1 1 A 78 78 HIS H H 78 8.630 8.314 0.316 1
1 885 . 13 1 1 A 78 78 HIS HA H 78 4.660 4.588 0.072 1
1 888 . 13 1 1 A 78 78 HIS C C 78 174.100 174.136 -0.036 1
1 889 . 13 1 1 A 78 78 HIS CA C 78 55.200 55.115 0.085 1
1 890 . 13 1 1 A 78 78 HIS CB C 78 29.100 29.524 -0.424 1
1 891 . 13 1 1 A 78 78 HIS N N 78 119.500 114.581 4.919 1
1 892 . 13 1 1 A 79 79 HIS H H 79 8.690 7.682 1.008 1
1 893 . 13 1 1 A 79 79 HIS HA H 79 4.660 4.646 0.014 1
1 896 . 13 1 1 A 79 79 HIS C C 79 173.900 175.272 -1.372 1
1 897 . 13 1 1 A 79 79 HIS CA C 79 55.200 54.274 0.926 1
1 898 . 13 1 1 A 79 79 HIS CB C 79 29.100 31.588 -2.488 1
1 899 . 13 1 1 A 79 79 HIS N N 79 120.400 119.472 0.928 1
1 900 . 13 1 1 A 80 80 HIS H H 80 8.590 8.610 -0.020 1
1 901 . 13 1 1 A 80 80 HIS HA H 80 4.630 4.080 0.550 1
1 904 . 13 1 1 A 80 80 HIS C C 80 173.400 174.493 -1.093 1
1 905 . 13 1 1 A 80 80 HIS CA C 80 55.400 58.797 -3.397 1
1 906 . 13 1 1 A 80 80 HIS CB C 80 29.300 28.108 1.192 1
1 907 . 13 1 1 A 80 80 HIS N N 80 120.600 116.779 3.821 1
1 7 . 14 1 1 A 2 2 GLU H H 2 8.850 8.979 -0.129 1
1 8 . 14 1 1 A 2 2 GLU HA H 2 4.450 4.406 0.044 1
1 13 . 14 1 1 A 2 2 GLU C C 2 175.400 175.327 0.073 1
1 14 . 14 1 1 A 2 2 GLU CA C 2 55.900 56.953 -1.053 1
1 15 . 14 1 1 A 2 2 GLU CB C 2 30.300 29.185 1.115 1
1 17 . 14 1 1 A 2 2 GLU N N 2 123.600 121.488 2.112 1
1 18 . 14 1 1 A 3 3 ILE H H 3 8.590 8.287 0.303 1
1 19 . 14 1 1 A 3 3 ILE HA H 3 4.310 4.213 0.097 1
1 29 . 14 1 1 A 3 3 ILE C C 3 175.100 175.462 -0.362 1
1 30 . 14 1 1 A 3 3 ILE CA C 3 60.700 60.979 -0.279 1
1 31 . 14 1 1 A 3 3 ILE CB C 3 39.500 38.486 1.014 1
1 35 . 14 1 1 A 3 3 ILE N N 3 122.100 121.585 0.515 1
1 36 . 14 1 1 A 4 4 THR H H 4 8.130 8.964 -0.834 1
1 37 . 14 1 1 A 4 4 THR HA H 4 4.540 4.897 -0.357 1
1 42 . 14 1 1 A 4 4 THR C C 4 173.000 173.329 -0.329 1
1 43 . 14 1 1 A 4 4 THR CA C 4 59.700 61.224 -1.524 1
1 44 . 14 1 1 A 4 4 THR CB C 4 71.400 71.741 -0.341 1
1 46 . 14 1 1 A 4 4 THR N N 4 116.800 120.528 -3.728 1
1 47 . 14 1 1 A 5 5 CYS H H 5 8.700 8.187 0.513 1
1 48 . 14 1 1 A 5 5 CYS HA H 5 3.960 4.505 -0.545 1
1 51 . 14 1 1 A 5 5 CYS CA C 5 56.800 57.126 -0.326 1
1 52 . 14 1 1 A 5 5 CYS CB C 5 32.000 28.600 3.400 1
1 53 . 14 1 1 A 5 5 CYS N N 5 125.600 124.514 1.086 1
1 54 . 14 1 1 A 6 6 PRO HA H 6 4.260 4.440 -0.180 1
1 61 . 14 1 1 A 6 6 PRO C C 6 176.000 176.228 -0.228 1
1 62 . 14 1 1 A 6 6 PRO CA C 6 63.900 63.758 0.142 1
1 63 . 14 1 1 A 6 6 PRO CB C 6 32.100 31.821 0.279 1
1 66 . 14 1 1 A 7 7 VAL H H 7 9.210 7.841 1.369 1
1 67 . 14 1 1 A 7 7 VAL HA H 7 3.820 4.228 -0.408 1
1 75 . 14 1 1 A 7 7 VAL CA C 7 64.900 63.011 1.889 1
1 76 . 14 1 1 A 7 7 VAL CB C 7 32.200 33.930 -1.730 1
1 79 . 14 1 1 A 7 7 VAL N N 7 122.500 116.955 5.545 1
1 80 . 14 1 1 A 8 8 CYS HA H 8 4.560 4.826 -0.266 1
1 83 . 14 1 1 A 8 8 CYS C C 8 176.800 173.613 3.187 1
1 84 . 14 1 1 A 8 8 CYS CA C 8 58.900 57.138 1.762 1
1 85 . 14 1 1 A 8 8 CYS CB C 8 32.000 28.892 3.108 1
1 86 . 14 1 1 A 9 9 HIS H H 9 7.550 9.151 -1.601 1
1 87 . 14 1 1 A 9 9 HIS HA H 9 4.470 4.708 -0.238 1
1 91 . 14 1 1 A 9 9 HIS CA C 9 56.900 54.787 2.113 1
1 92 . 14 1 1 A 9 9 HIS CB C 9 25.900 28.963 -3.063 1
1 94 . 14 1 1 A 9 9 HIS N N 9 115.000 126.323 -11.323 1
1 95 . 14 1 1 A 10 10 HIS HA H 10 4.790 4.798 -0.008 1
1 100 . 14 1 1 A 10 10 HIS C C 10 174.700 173.818 0.882 1
1 101 . 14 1 1 A 10 10 HIS CA C 10 55.700 54.426 1.274 1
1 102 . 14 1 1 A 10 10 HIS CB C 10 29.800 33.195 -3.395 1
1 105 . 14 1 1 A 11 11 ALA H H 11 8.790 8.394 0.396 1
1 106 . 14 1 1 A 11 11 ALA HA H 11 4.310 4.648 -0.338 1
1 110 . 14 1 1 A 11 11 ALA C C 11 177.800 177.418 0.382 1
1 111 . 14 1 1 A 11 11 ALA CA C 11 53.400 51.392 2.008 1
1 112 . 14 1 1 A 11 11 ALA CB C 11 18.600 19.738 -1.138 1
1 113 . 14 1 1 A 11 11 ALA N N 11 124.500 124.811 -0.311 1
1 114 . 14 1 1 A 12 12 LEU H H 12 8.480 8.902 -0.422 1
1 115 . 14 1 1 A 12 12 LEU HA H 12 4.640 4.892 -0.252 1
1 125 . 14 1 1 A 12 12 LEU C C 12 176.900 175.844 1.056 1
1 126 . 14 1 1 A 12 12 LEU CA C 12 53.500 53.754 -0.254 1
1 127 . 14 1 1 A 12 12 LEU CB C 12 44.100 43.198 0.902 1
1 131 . 14 1 1 A 12 12 LEU N N 12 121.200 123.185 -1.985 1
1 132 . 14 1 1 A 13 13 GLU H H 13 8.600 8.430 0.170 1
1 133 . 14 1 1 A 13 13 GLU HA H 13 4.590 4.921 -0.331 1
1 138 . 14 1 1 A 13 13 GLU C C 13 175.700 175.286 0.414 1
1 139 . 14 1 1 A 13 13 GLU CA C 13 54.700 54.391 0.309 1
1 140 . 14 1 1 A 13 13 GLU CB C 13 30.200 33.268 -3.068 1
1 142 . 14 1 1 A 13 13 GLU N N 13 120.300 120.132 0.168 1
1 143 . 14 1 1 A 14 14 ARG H H 14 9.010 8.634 0.376 1
1 144 . 14 1 1 A 14 14 ARG HA H 14 4.460 4.671 -0.211 1
1 151 . 14 1 1 A 14 14 ARG C C 14 174.900 175.674 -0.774 1
1 152 . 14 1 1 A 14 14 ARG CA C 14 56.400 55.908 0.492 1
1 153 . 14 1 1 A 14 14 ARG CB C 14 31.800 31.572 0.228 1
1 156 . 14 1 1 A 14 14 ARG N N 14 126.500 123.397 3.103 1
1 157 . 14 1 1 A 15 15 ASN H H 15 8.670 9.130 -0.460 1
1 158 . 14 1 1 A 15 15 ASN HA H 15 4.850 5.002 -0.152 1
1 161 . 14 1 1 A 15 15 ASN C C 15 174.900 175.172 -0.272 1
1 162 . 14 1 1 A 15 15 ASN CA C 15 52.100 52.278 -0.178 1
1 163 . 14 1 1 A 15 15 ASN CB C 15 39.200 39.002 0.198 1
1 164 . 14 1 1 A 15 15 ASN N N 15 125.100 122.179 2.921 1
1 165 . 14 1 1 A 16 16 GLY H H 16 8.880 8.154 0.726 1
1 166 . 14 1 1 A 16 16 GLY HA2 H 16 3.570 3.697 -0.127 1
1 167 . 14 1 1 A 16 16 GLY HA3 H 16 4.000 3.807 0.193 1
1 168 . 14 1 1 A 16 16 GLY C C 16 173.700 174.322 -0.622 1
1 169 . 14 1 1 A 16 16 GLY CA C 16 47.200 46.808 0.392 1
1 170 . 14 1 1 A 16 16 GLY N N 16 114.400 106.770 7.630 1
1 171 . 14 1 1 A 17 17 ASP H H 17 8.600 8.699 -0.099 1
1 172 . 14 1 1 A 17 17 ASP HA H 17 4.600 4.716 -0.116 1
1 175 . 14 1 1 A 17 17 ASP C C 17 174.800 175.414 -0.614 1
1 176 . 14 1 1 A 17 17 ASP CA C 17 53.800 53.830 -0.030 1
1 177 . 14 1 1 A 17 17 ASP CB C 17 40.200 40.593 -0.393 1
1 178 . 14 1 1 A 17 17 ASP N N 17 126.400 126.133 0.267 1
1 179 . 14 1 1 A 18 18 THR H H 18 7.710 7.478 0.232 1
1 180 . 14 1 1 A 18 18 THR HA H 18 5.120 5.130 -0.010 1
1 185 . 14 1 1 A 18 18 THR C C 18 171.900 171.722 0.178 1
1 186 . 14 1 1 A 18 18 THR CA C 18 60.400 60.527 -0.127 1
1 187 . 14 1 1 A 18 18 THR CB C 18 72.300 71.259 1.041 1
1 189 . 14 1 1 A 18 18 THR N N 18 112.300 112.896 -0.596 1
1 190 . 14 1 1 A 19 19 ALA H H 19 9.090 9.238 -0.148 1
1 191 . 14 1 1 A 19 19 ALA HA H 19 5.250 5.568 -0.318 1
1 195 . 14 1 1 A 19 19 ALA C C 19 175.000 175.317 -0.317 1
1 196 . 14 1 1 A 19 19 ALA CA C 19 50.300 50.095 0.205 1
1 197 . 14 1 1 A 19 19 ALA CB C 19 23.900 22.689 1.211 1
1 198 . 14 1 1 A 19 19 ALA N N 19 123.300 127.904 -4.604 1
1 199 . 14 1 1 A 20 20 HIS H H 20 9.130 9.105 0.025 1
1 200 . 14 1 1 A 20 20 HIS HA H 20 5.550 5.237 0.313 1
1 205 . 14 1 1 A 20 20 HIS C C 20 173.100 173.379 -0.279 1
1 206 . 14 1 1 A 20 20 HIS CA C 20 54.700 54.456 0.244 1
1 207 . 14 1 1 A 20 20 HIS CB C 20 31.900 33.139 -1.239 1
1 210 . 14 1 1 A 20 20 HIS N N 20 120.000 122.342 -2.342 1
1 211 . 14 1 1 A 21 21 CYS H H 21 8.910 8.398 0.512 1
1 212 . 14 1 1 A 21 21 CYS HA H 21 4.700 4.820 -0.120 1
1 215 . 14 1 1 A 21 21 CYS C C 21 176.400 174.833 1.567 1
1 216 . 14 1 1 A 21 21 CYS CA C 21 57.900 56.910 0.990 1
1 217 . 14 1 1 A 21 21 CYS CB C 21 31.700 30.495 1.205 1
1 218 . 14 1 1 A 21 21 CYS N N 21 129.200 127.000 2.200 1
1 219 . 14 1 1 A 22 22 GLU H H 22 9.030 8.714 0.316 1
1 220 . 14 1 1 A 22 22 GLU HA H 22 4.130 4.198 -0.068 1
1 225 . 14 1 1 A 22 22 GLU C C 22 177.400 176.613 0.787 1
1 226 . 14 1 1 A 22 22 GLU CA C 22 58.200 58.721 -0.521 1
1 227 . 14 1 1 A 22 22 GLU CB C 22 29.500 29.865 -0.365 1
1 229 . 14 1 1 A 22 22 GLU N N 22 128.800 126.294 2.506 1
1 230 . 14 1 1 A 23 23 THR H H 23 8.360 7.746 0.614 1
1 231 . 14 1 1 A 23 23 THR HA H 23 3.920 4.235 -0.315 1
1 236 . 14 1 1 A 23 23 THR C C 23 176.500 174.625 1.875 1
1 237 . 14 1 1 A 23 23 THR CA C 23 66.800 62.670 4.130 1
1 238 . 14 1 1 A 23 23 THR CB C 23 69.100 68.825 0.275 1
1 240 . 14 1 1 A 23 23 THR N N 23 119.800 111.056 8.744 1
1 241 . 14 1 1 A 24 24 CYS H H 24 9.570 8.977 0.593 1
1 242 . 14 1 1 A 24 24 CYS HA H 24 3.880 4.171 -0.291 1
1 245 . 14 1 1 A 24 24 CYS C C 24 174.900 174.080 0.820 1
1 246 . 14 1 1 A 24 24 CYS CA C 24 62.000 59.754 2.246 1
1 247 . 14 1 1 A 24 24 CYS CB C 24 30.300 25.332 4.968 1
1 248 . 14 1 1 A 24 24 CYS N N 24 123.600 123.183 0.417 1
1 249 . 14 1 1 A 25 25 ALA H H 25 7.720 8.033 -0.313 1
1 250 . 14 1 1 A 25 25 ALA HA H 25 3.820 4.490 -0.670 1
1 254 . 14 1 1 A 25 25 ALA C C 25 175.400 177.190 -1.790 1
1 255 . 14 1 1 A 25 25 ALA CA C 25 52.500 52.849 -0.349 1
1 256 . 14 1 1 A 25 25 ALA CB C 25 16.000 19.334 -3.334 1
1 257 . 14 1 1 A 25 25 ALA N N 25 121.400 126.354 -4.954 1
1 258 . 14 1 1 A 26 26 LYS H H 26 6.910 7.847 -0.937 1
1 259 . 14 1 1 A 26 26 LYS HA H 26 4.450 4.741 -0.291 1
1 268 . 14 1 1 A 26 26 LYS CA C 26 54.600 54.986 -0.386 1
1 269 . 14 1 1 A 26 26 LYS CB C 26 37.900 36.620 1.280 1
1 273 . 14 1 1 A 26 26 LYS N N 26 116.100 121.708 -5.608 1
1 274 . 14 1 1 A 27 27 ASP HA H 27 5.610 5.697 -0.087 1
1 277 . 14 1 1 A 27 27 ASP C C 27 174.400 174.243 0.157 1
1 278 . 14 1 1 A 27 27 ASP CA C 27 53.000 52.451 0.549 1
1 279 . 14 1 1 A 27 27 ASP CB C 27 44.200 42.979 1.221 1
1 280 . 14 1 1 A 28 28 PHE H H 28 9.200 9.198 0.002 1
1 281 . 14 1 1 A 28 28 PHE HA H 28 4.890 4.982 -0.092 1
1 289 . 14 1 1 A 28 28 PHE C C 28 175.500 175.440 0.060 1
1 290 . 14 1 1 A 28 28 PHE CA C 28 56.800 57.295 -0.495 1
1 291 . 14 1 1 A 28 28 PHE CB C 28 42.900 40.729 2.171 1
1 297 . 14 1 1 A 28 28 PHE N N 28 118.100 123.625 -5.525 1
1 298 . 14 1 1 A 29 29 SER H H 29 9.070 8.862 0.208 1
1 299 . 14 1 1 A 29 29 SER HA H 29 4.750 4.830 -0.080 1
1 302 . 14 1 1 A 29 29 SER C C 29 173.400 174.210 -0.810 1
1 303 . 14 1 1 A 29 29 SER CA C 29 58.400 57.984 0.416 1
1 304 . 14 1 1 A 29 29 SER CB C 29 64.100 63.587 0.513 1
1 305 . 14 1 1 A 29 29 SER N N 29 118.400 118.894 -0.494 1
1 306 . 14 1 1 A 30 30 LEU H H 30 8.180 9.275 -1.095 1
1 307 . 14 1 1 A 30 30 LEU HA H 30 5.200 5.401 -0.201 1
1 317 . 14 1 1 A 30 30 LEU CA C 30 53.100 53.476 -0.376 1
1 318 . 14 1 1 A 30 30 LEU CB C 30 44.800 44.671 0.129 1
1 322 . 14 1 1 A 30 30 LEU N N 30 122.200 127.728 -5.528 1
1 323 . 14 1 1 A 31 31 GLN HA H 31 4.680 5.042 -0.362 1
1 328 . 14 1 1 A 31 31 GLN C C 31 173.600 174.473 -0.873 1
1 329 . 14 1 1 A 31 31 GLN CA C 31 54.200 53.975 0.225 1
1 330 . 14 1 1 A 31 31 GLN CB C 31 31.800 32.116 -0.316 1
1 332 . 14 1 1 A 32 32 ALA H H 32 8.560 8.644 -0.084 1
1 333 . 14 1 1 A 32 32 ALA HA H 32 3.990 4.284 -0.294 1
1 337 . 14 1 1 A 32 32 ALA C C 32 175.600 176.611 -1.011 1
1 338 . 14 1 1 A 32 32 ALA CA C 32 50.900 51.281 -0.381 1
1 339 . 14 1 1 A 32 32 ALA CB C 32 20.300 19.458 0.842 1
1 340 . 14 1 1 A 32 32 ALA N N 32 128.100 128.409 -0.309 1
1 341 . 14 1 1 A 33 33 LEU H H 33 8.740 8.517 0.223 1
1 342 . 14 1 1 A 33 33 LEU HA H 33 4.560 5.026 -0.466 1
1 352 . 14 1 1 A 33 33 LEU C C 33 175.400 174.492 0.908 1
1 353 . 14 1 1 A 33 33 LEU CA C 33 52.700 53.591 -0.891 1
1 354 . 14 1 1 A 33 33 LEU CB C 33 44.200 46.599 -2.399 1
1 358 . 14 1 1 A 33 33 LEU N N 33 124.500 123.865 0.635 1
1 359 . 14 1 1 A 34 34 CYS H H 34 8.260 8.382 -0.122 1
1 360 . 14 1 1 A 34 34 CYS HA H 34 4.270 5.230 -0.960 1
1 363 . 14 1 1 A 34 34 CYS CA C 34 56.900 55.911 0.989 1
1 364 . 14 1 1 A 34 34 CYS CB C 34 31.400 29.572 1.828 1
1 365 . 14 1 1 A 34 34 CYS N N 34 123.600 124.142 -0.542 1
1 366 . 14 1 1 A 35 35 PRO HA H 35 4.290 4.397 -0.107 1
1 373 . 14 1 1 A 35 35 PRO C C 35 176.100 177.240 -1.140 1
1 374 . 14 1 1 A 35 35 PRO CA C 35 63.700 64.193 -0.493 1
1 375 . 14 1 1 A 35 35 PRO CB C 35 31.600 31.737 -0.137 1
1 378 . 14 1 1 A 36 36 ASP H H 36 8.980 8.582 0.398 1
1 379 . 14 1 1 A 36 36 ASP HA H 36 4.600 4.397 0.203 1
1 382 . 14 1 1 A 36 36 ASP C C 36 176.500 177.302 -0.802 1
1 383 . 14 1 1 A 36 36 ASP CA C 36 56.400 56.209 0.191 1
1 384 . 14 1 1 A 36 36 ASP CB C 36 40.100 41.028 -0.928 1
1 385 . 14 1 1 A 36 36 ASP N N 36 122.200 116.941 5.259 1
1 386 . 14 1 1 A 37 37 CYS H H 37 7.840 7.323 0.517 1
1 387 . 14 1 1 A 37 37 CYS HA H 37 5.000 4.525 0.475 1
1 390 . 14 1 1 A 37 37 CYS C C 37 175.400 175.507 -0.107 1
1 391 . 14 1 1 A 37 37 CYS CA C 37 58.400 59.060 -0.660 1
1 392 . 14 1 1 A 37 37 CYS CB C 37 32.300 29.499 2.801 1
1 393 . 14 1 1 A 37 37 CYS N N 37 116.000 114.005 1.995 1
1 394 . 14 1 1 A 38 38 ARG H H 38 7.880 8.049 -0.169 1
1 395 . 14 1 1 A 38 38 ARG HA H 38 4.050 3.818 0.232 1
1 402 . 14 1 1 A 38 38 ARG C C 38 173.700 174.724 -1.024 1
1 403 . 14 1 1 A 38 38 ARG CA C 38 58.100 57.281 0.819 1
1 404 . 14 1 1 A 38 38 ARG CB C 38 27.400 29.551 -2.151 1
1 407 . 14 1 1 A 38 38 ARG N N 38 117.700 120.325 -2.625 1
1 408 . 14 1 1 A 39 39 GLN H H 39 7.720 7.571 0.149 1
1 409 . 14 1 1 A 39 39 GLN HA H 39 4.710 4.410 0.300 1
1 414 . 14 1 1 A 39 39 GLN CA C 39 53.900 52.371 1.529 1
1 415 . 14 1 1 A 39 39 GLN CB C 39 28.100 28.818 -0.718 1
1 417 . 14 1 1 A 39 39 GLN N N 39 117.500 118.529 -1.029 1
1 418 . 14 1 1 A 40 40 PRO HA H 40 4.570 4.436 0.134 1
1 425 . 14 1 1 A 40 40 PRO C C 40 176.600 177.403 -0.803 1
1 426 . 14 1 1 A 40 40 PRO CA C 40 63.700 63.246 0.454 1
1 427 . 14 1 1 A 40 40 PRO CB C 40 31.900 32.062 -0.162 1
1 430 . 14 1 1 A 41 41 LEU H H 41 8.170 8.816 -0.646 1
1 431 . 14 1 1 A 41 41 LEU HA H 41 4.460 4.635 -0.175 1
1 441 . 14 1 1 A 41 41 LEU C C 41 177.200 177.142 0.058 1
1 442 . 14 1 1 A 41 41 LEU CA C 41 54.000 57.530 -3.530 1
1 443 . 14 1 1 A 41 41 LEU CB C 41 43.200 42.302 0.898 1
1 447 . 14 1 1 A 41 41 LEU N N 41 124.100 121.966 2.134 1
1 448 . 14 1 1 A 42 42 GLN H H 42 9.240 7.734 1.506 1
1 449 . 14 1 1 A 42 42 GLN HA H 42 4.490 4.626 -0.136 1
1 454 . 14 1 1 A 42 42 GLN C C 42 175.000 173.978 1.022 1
1 455 . 14 1 1 A 42 42 GLN CA C 42 55.300 55.878 -0.578 1
1 456 . 14 1 1 A 42 42 GLN CB C 42 29.600 31.404 -1.804 1
1 458 . 14 1 1 A 42 42 GLN N N 42 122.100 114.148 7.952 1
1 459 . 14 1 1 A 43 43 VAL H H 43 8.600 8.702 -0.102 1
1 460 . 14 1 1 A 43 43 VAL HA H 43 4.260 4.819 -0.559 1
1 468 . 14 1 1 A 43 43 VAL C C 43 175.500 173.901 1.599 1
1 469 . 14 1 1 A 43 43 VAL CA C 43 62.100 62.290 -0.190 1
1 470 . 14 1 1 A 43 43 VAL CB C 43 32.000 32.069 -0.069 1
1 473 . 14 1 1 A 43 43 VAL N N 43 126.400 126.363 0.037 1
1 474 . 14 1 1 A 44 44 LEU H H 44 8.940 9.470 -0.530 1
1 475 . 14 1 1 A 44 44 LEU HA H 44 4.510 5.059 -0.549 1
1 485 . 14 1 1 A 44 44 LEU C C 44 175.500 175.513 -0.013 1
1 486 . 14 1 1 A 44 44 LEU CA C 44 53.400 53.443 -0.043 1
1 487 . 14 1 1 A 44 44 LEU CB C 44 42.800 42.789 0.011 1
1 491 . 14 1 1 A 44 44 LEU N N 44 130.200 131.952 -1.752 1
1 492 . 14 1 1 A 45 45 LYS H H 45 8.520 8.905 -0.385 1
1 493 . 14 1 1 A 45 45 LYS HA H 45 4.830 4.860 -0.030 1
1 502 . 14 1 1 A 45 45 LYS C C 45 175.600 175.737 -0.137 1
1 503 . 14 1 1 A 45 45 LYS CA C 45 55.700 54.596 1.104 1
1 504 . 14 1 1 A 45 45 LYS CB C 45 33.500 34.817 -1.317 1
1 508 . 14 1 1 A 45 45 LYS N N 45 123.700 124.434 -0.734 1
1 509 . 14 1 1 A 46 46 ALA H H 46 8.220 8.425 -0.205 1
1 510 . 14 1 1 A 46 46 ALA HA H 46 4.540 4.402 0.138 1
1 514 . 14 1 1 A 46 46 ALA C C 46 176.900 176.737 0.163 1
1 515 . 14 1 1 A 46 46 ALA CA C 46 51.900 52.934 -1.034 1
1 516 . 14 1 1 A 46 46 ALA CB C 46 20.700 19.981 0.719 1
1 517 . 14 1 1 A 46 46 ALA N N 46 126.400 124.788 1.612 1
1 518 . 14 1 1 A 47 47 CYS H H 47 9.200 8.242 0.958 1
1 519 . 14 1 1 A 47 47 CYS HA H 47 4.080 4.702 -0.622 1
1 522 . 14 1 1 A 47 47 CYS C C 47 175.100 174.679 0.421 1
1 523 . 14 1 1 A 47 47 CYS CA C 47 59.700 57.893 1.807 1
1 524 . 14 1 1 A 47 47 CYS CB C 47 25.800 29.044 -3.244 1
1 525 . 14 1 1 A 47 47 CYS N N 47 120.400 115.540 4.860 1
1 526 . 14 1 1 A 48 48 GLY H H 48 8.620 8.871 -0.251 1
1 527 . 14 1 1 A 48 48 GLY HA2 H 48 3.670 3.991 -0.321 1
1 528 . 14 1 1 A 48 48 GLY HA3 H 48 4.070 3.993 0.077 1
1 529 . 14 1 1 A 48 48 GLY C C 48 173.100 174.368 -1.268 1
1 530 . 14 1 1 A 48 48 GLY CA C 48 45.500 45.256 0.244 1
1 531 . 14 1 1 A 48 48 GLY N N 48 109.000 116.427 -7.427 1
1 532 . 14 1 1 A 49 49 ALA H H 49 7.820 7.935 -0.115 1
1 533 . 14 1 1 A 49 49 ALA HA H 49 4.620 4.407 0.213 1
1 537 . 14 1 1 A 49 49 ALA C C 49 176.000 176.866 -0.866 1
1 538 . 14 1 1 A 49 49 ALA CA C 49 51.000 52.227 -1.227 1
1 539 . 14 1 1 A 49 49 ALA CB C 49 21.300 19.364 1.936 1
1 540 . 14 1 1 A 49 49 ALA N N 49 124.000 124.117 -0.117 1
1 541 . 14 1 1 A 50 50 VAL H H 50 8.100 8.601 -0.501 1
1 542 . 14 1 1 A 50 50 VAL HA H 50 4.560 4.488 0.072 1
1 550 . 14 1 1 A 50 50 VAL C C 50 174.300 174.366 -0.066 1
1 551 . 14 1 1 A 50 50 VAL CA C 50 61.400 61.218 0.182 1
1 552 . 14 1 1 A 50 50 VAL CB C 50 33.800 33.757 0.043 1
1 555 . 14 1 1 A 50 50 VAL N N 50 119.600 122.698 -3.098 1
1 556 . 14 1 1 A 51 51 ASP H H 51 8.640 9.120 -0.480 1
1 557 . 14 1 1 A 51 51 ASP HA H 51 5.030 5.347 -0.317 1
1 560 . 14 1 1 A 51 51 ASP C C 51 173.000 174.412 -1.412 1
1 561 . 14 1 1 A 51 51 ASP CA C 51 52.000 52.711 -0.711 1
1 562 . 14 1 1 A 51 51 ASP CB C 51 43.900 43.539 0.361 1
1 563 . 14 1 1 A 51 51 ASP N N 51 124.900 127.445 -2.545 1
1 564 . 14 1 1 A 52 52 TYR H H 52 8.950 8.793 0.157 1
1 565 . 14 1 1 A 52 52 TYR HA H 52 5.150 5.548 -0.398 1
1 572 . 14 1 1 A 52 52 TYR C C 52 174.500 174.727 -0.227 1
1 573 . 14 1 1 A 52 52 TYR CA C 52 57.300 56.527 0.773 1
1 574 . 14 1 1 A 52 52 TYR CB C 52 41.200 40.411 0.789 1
1 579 . 14 1 1 A 52 52 TYR N N 52 118.500 119.166 -0.666 1
1 580 . 14 1 1 A 53 53 PHE H H 53 9.250 8.869 0.381 1
1 581 . 14 1 1 A 53 53 PHE HA H 53 5.040 4.951 0.089 1
1 588 . 14 1 1 A 53 53 PHE C C 53 173.200 174.465 -1.265 1
1 589 . 14 1 1 A 53 53 PHE CA C 53 56.400 58.109 -1.709 1
1 590 . 14 1 1 A 53 53 PHE CB C 53 44.300 41.891 2.409 1
1 595 . 14 1 1 A 53 53 PHE N N 53 123.100 123.655 -0.555 1
1 596 . 14 1 1 A 54 54 CYS H H 54 9.160 8.896 0.264 1
1 597 . 14 1 1 A 54 54 CYS HA H 54 4.690 4.480 0.210 1
1 600 . 14 1 1 A 54 54 CYS C C 54 175.700 174.721 0.979 1
1 601 . 14 1 1 A 54 54 CYS CA C 54 58.200 58.108 0.092 1
1 602 . 14 1 1 A 54 54 CYS CB C 54 29.600 25.948 3.652 1
1 603 . 14 1 1 A 54 54 CYS N N 54 130.800 125.936 4.864 1
1 604 . 14 1 1 A 55 55 GLN H H 55 9.260 8.693 0.567 1
1 605 . 14 1 1 A 55 55 GLN HA H 55 4.300 4.220 0.080 1
1 610 . 14 1 1 A 55 55 GLN C C 55 174.400 175.330 -0.930 1
1 611 . 14 1 1 A 55 55 GLN CA C 55 56.900 57.517 -0.617 1
1 612 . 14 1 1 A 55 55 GLN CB C 55 28.900 29.668 -0.768 1
1 614 . 14 1 1 A 55 55 GLN N N 55 129.000 127.628 1.372 1
1 615 . 14 1 1 A 56 56 ASN H H 56 9.100 7.999 1.101 1
1 616 . 14 1 1 A 56 56 ASN HA H 56 4.860 5.009 -0.149 1
1 619 . 14 1 1 A 56 56 ASN C C 56 174.100 175.819 -1.719 1
1 620 . 14 1 1 A 56 56 ASN CA C 56 52.100 52.010 0.090 1
1 621 . 14 1 1 A 56 56 ASN CB C 56 39.500 41.308 -1.808 1
1 622 . 14 1 1 A 56 56 ASN N N 56 122.300 115.127 7.173 1
1 623 . 14 1 1 A 57 57 GLY H H 57 7.180 8.678 -1.498 1
1 624 . 14 1 1 A 57 57 GLY HA2 H 57 3.450 3.992 -0.542 1
1 625 . 14 1 1 A 57 57 GLY HA3 H 57 4.000 3.999 0.001 1
1 626 . 14 1 1 A 57 57 GLY C C 57 175.800 174.752 1.048 1
1 627 . 14 1 1 A 57 57 GLY CA C 57 45.100 46.026 -0.926 1
1 628 . 14 1 1 A 57 57 GLY N N 57 104.200 109.560 -5.360 1
1 629 . 14 1 1 A 58 58 HIS H H 58 7.380 8.252 -0.872 1
1 630 . 14 1 1 A 58 58 HIS HA H 58 4.620 4.392 0.228 1
1 633 . 14 1 1 A 58 58 HIS C C 58 174.100 175.304 -1.204 1
1 634 . 14 1 1 A 58 58 HIS CA C 58 59.600 58.253 1.347 1
1 635 . 14 1 1 A 58 58 HIS CB C 58 30.100 31.002 -0.902 1
1 636 . 14 1 1 A 58 58 HIS N N 58 116.000 121.416 -5.416 1
1 637 . 14 1 1 A 59 59 GLY H H 59 7.610 7.325 0.285 1
1 638 . 14 1 1 A 59 59 GLY HA2 H 59 2.930 3.715 -0.785 1
1 639 . 14 1 1 A 59 59 GLY HA3 H 59 3.700 3.819 -0.119 1
1 640 . 14 1 1 A 59 59 GLY C C 59 173.100 172.828 0.272 1
1 641 . 14 1 1 A 59 59 GLY CA C 59 45.500 44.388 1.112 1
1 642 . 14 1 1 A 59 59 GLY N N 59 108.000 105.245 2.755 1
1 643 . 14 1 1 A 60 60 LEU H H 60 8.450 8.386 0.064 1
1 644 . 14 1 1 A 60 60 LEU HA H 60 4.620 3.478 1.142 1
1 654 . 14 1 1 A 60 60 LEU C C 60 176.800 176.141 0.659 1
1 655 . 14 1 1 A 60 60 LEU CA C 60 55.700 54.761 0.939 1
1 656 . 14 1 1 A 60 60 LEU CB C 60 42.200 42.329 -0.129 1
1 660 . 14 1 1 A 60 60 LEU N N 60 124.300 118.875 5.425 1
1 661 . 14 1 1 A 61 61 ILE H H 61 8.740 7.782 0.958 1
1 662 . 14 1 1 A 61 61 ILE HA H 61 4.200 4.072 0.128 1
1 672 . 14 1 1 A 61 61 ILE C C 61 175.500 176.109 -0.609 1
1 673 . 14 1 1 A 61 61 ILE CA C 61 57.000 60.612 -3.612 1
1 674 . 14 1 1 A 61 61 ILE CB C 61 37.400 37.943 -0.543 1
1 678 . 14 1 1 A 61 61 ILE N N 61 128.500 125.304 3.196 1
1 679 . 14 1 1 A 62 62 SER H H 62 8.490 8.517 -0.027 1
1 680 . 14 1 1 A 62 62 SER HA H 62 4.380 4.521 -0.141 1
1 683 . 14 1 1 A 62 62 SER C C 62 176.500 175.075 1.425 1
1 684 . 14 1 1 A 62 62 SER CA C 62 58.300 60.437 -2.137 1
1 685 . 14 1 1 A 62 62 SER CB C 62 63.500 63.416 0.084 1
1 686 . 14 1 1 A 62 62 SER N N 62 121.700 120.520 1.180 1
1 687 . 14 1 1 A 63 63 LYS H H 63 9.040 8.932 0.108 1
1 688 . 14 1 1 A 63 63 LYS HA H 63 3.910 4.166 -0.256 1
1 697 . 14 1 1 A 63 63 LYS C C 63 178.200 178.004 0.196 1
1 698 . 14 1 1 A 63 63 LYS CA C 63 60.300 59.946 0.354 1
1 699 . 14 1 1 A 63 63 LYS CB C 63 32.000 32.624 -0.624 1
1 703 . 14 1 1 A 63 63 LYS N N 63 126.000 127.087 -1.087 1
1 704 . 14 1 1 A 64 64 LYS H H 64 8.090 8.433 -0.343 1
1 705 . 14 1 1 A 64 64 LYS HA H 64 4.190 4.392 -0.202 1
1 714 . 14 1 1 A 64 64 LYS C C 64 177.000 176.949 0.051 1
1 715 . 14 1 1 A 64 64 LYS CA C 64 58.000 56.903 1.097 1
1 716 . 14 1 1 A 64 64 LYS CB C 64 32.300 32.418 -0.118 1
1 720 . 14 1 1 A 64 64 LYS N N 64 115.400 117.500 -2.100 1
1 721 . 14 1 1 A 65 65 ARG H H 65 7.960 8.503 -0.543 1
1 722 . 14 1 1 A 65 65 ARG HA H 65 4.280 4.572 -0.292 1
1 729 . 14 1 1 A 65 65 ARG C C 65 176.000 176.470 -0.470 1
1 730 . 14 1 1 A 65 65 ARG CA C 65 55.900 55.958 -0.058 1
1 731 . 14 1 1 A 65 65 ARG CB C 65 32.000 31.148 0.852 1
1 734 . 14 1 1 A 65 65 ARG N N 65 116.600 119.093 -2.493 1
1 735 . 14 1 1 A 66 66 VAL H H 66 6.810 7.394 -0.584 1
1 736 . 14 1 1 A 66 66 VAL HA H 66 2.800 3.965 -1.165 1
1 744 . 14 1 1 A 66 66 VAL C C 66 174.500 175.455 -0.955 1
1 745 . 14 1 1 A 66 66 VAL CA C 66 65.000 62.782 2.218 1
1 746 . 14 1 1 A 66 66 VAL CB C 66 32.000 32.312 -0.312 1
1 749 . 14 1 1 A 66 66 VAL N N 66 119.600 121.003 -1.403 1
1 750 . 14 1 1 A 67 67 ASN H H 67 7.270 8.769 -1.499 1
1 751 . 14 1 1 A 67 67 ASN HA H 67 4.840 5.068 -0.228 1
1 756 . 14 1 1 A 67 67 ASN C C 67 173.200 174.196 -0.996 1
1 757 . 14 1 1 A 67 67 ASN CA C 67 51.200 53.401 -2.201 1
1 758 . 14 1 1 A 67 67 ASN CB C 67 39.100 38.498 0.602 1
1 759 . 14 1 1 A 67 67 ASN N N 67 123.500 126.765 -3.265 1
1 761 . 14 1 1 A 68 68 PHE H H 68 8.180 8.726 -0.546 1
1 762 . 14 1 1 A 68 68 PHE HA H 68 5.170 4.981 0.189 1
1 770 . 14 1 1 A 68 68 PHE C C 68 175.300 175.281 0.019 1
1 771 . 14 1 1 A 68 68 PHE CA C 68 58.000 57.717 0.283 1
1 772 . 14 1 1 A 68 68 PHE CB C 68 41.100 38.161 2.939 1
1 778 . 14 1 1 A 68 68 PHE N N 68 123.300 124.523 -1.223 1
1 779 . 14 1 1 A 69 69 VAL H H 69 8.660 8.666 -0.006 1
1 780 . 14 1 1 A 69 69 VAL HA H 69 4.520 4.924 -0.404 1
1 788 . 14 1 1 A 69 69 VAL C C 69 175.100 175.707 -0.607 1
1 789 . 14 1 1 A 69 69 VAL CA C 69 59.200 59.802 -0.602 1
1 790 . 14 1 1 A 69 69 VAL CB C 69 35.100 34.349 0.751 1
1 793 . 14 1 1 A 69 69 VAL N N 69 116.500 118.759 -2.259 1
1 794 . 14 1 1 A 70 70 ILE H H 70 8.480 8.402 0.078 1
1 795 . 14 1 1 A 70 70 ILE HA H 70 4.350 4.055 0.295 1
1 805 . 14 1 1 A 70 70 ILE C C 70 176.400 175.878 0.522 1
1 806 . 14 1 1 A 70 70 ILE CA C 70 61.300 62.538 -1.238 1
1 807 . 14 1 1 A 70 70 ILE CB C 70 38.200 37.150 1.050 1
1 811 . 14 1 1 A 70 70 ILE N N 70 123.100 123.418 -0.318 1
1 812 . 14 1 1 A 71 71 SER H H 71 8.770 9.163 -0.393 1
1 813 . 14 1 1 A 71 71 SER HA H 71 4.550 4.654 -0.104 1
1 816 . 14 1 1 A 71 71 SER C C 71 174.200 173.253 0.947 1
1 817 . 14 1 1 A 71 71 SER CA C 71 57.700 57.656 0.044 1
1 818 . 14 1 1 A 71 71 SER CB C 71 64.100 63.070 1.030 1
1 819 . 14 1 1 A 71 71 SER N N 71 122.200 123.987 -1.787 1
1 820 . 14 1 1 A 72 72 ASP H H 72 8.470 8.754 -0.284 1
1 821 . 14 1 1 A 72 72 ASP HA H 72 4.720 5.091 -0.371 1
1 824 . 14 1 1 A 72 72 ASP C C 72 176.100 174.694 1.406 1
1 825 . 14 1 1 A 72 72 ASP CA C 72 54.200 53.354 0.846 1
1 826 . 14 1 1 A 72 72 ASP CB C 72 41.200 44.507 -3.307 1
1 827 . 14 1 1 A 72 72 ASP N N 72 122.700 127.778 -5.078 1
1 828 . 14 1 1 A 73 73 GLN H H 73 8.490 8.749 -0.259 1
1 829 . 14 1 1 A 73 73 GLN HA H 73 4.310 4.564 -0.254 1
1 834 . 14 1 1 A 73 73 GLN C C 73 176.000 175.024 0.976 1
1 835 . 14 1 1 A 73 73 GLN CA C 73 56.100 55.753 0.347 1
1 836 . 14 1 1 A 73 73 GLN CB C 73 29.200 29.444 -0.244 1
1 838 . 14 1 1 A 73 73 GLN N N 73 120.300 121.005 -0.705 1
1 839 . 14 1 1 A 74 74 LEU H H 74 8.250 7.764 0.486 1
1 840 . 14 1 1 A 74 74 LEU HA H 74 4.250 4.747 -0.497 1
1 850 . 14 1 1 A 74 74 LEU C C 74 177.100 174.242 2.858 1
1 851 . 14 1 1 A 74 74 LEU CA C 74 55.200 54.036 1.164 1
1 852 . 14 1 1 A 74 74 LEU CB C 74 42.100 43.809 -1.709 1
1 856 . 14 1 1 A 74 74 LEU N N 74 123.000 121.206 1.794 1
1 857 . 14 1 1 A 75 75 GLU H H 75 8.260 8.728 -0.468 1
1 858 . 14 1 1 A 75 75 GLU HA H 75 4.170 4.573 -0.403 1
1 863 . 14 1 1 A 75 75 GLU C C 75 176.200 176.274 -0.074 1
1 864 . 14 1 1 A 75 75 GLU CA C 75 56.300 55.084 1.216 1
1 865 . 14 1 1 A 75 75 GLU CB C 75 29.800 31.434 -1.634 1
1 867 . 14 1 1 A 75 75 GLU N N 75 120.700 127.586 -6.886 1
1 868 . 14 1 1 A 76 76 HIS H H 76 8.480 8.993 -0.513 1
1 869 . 14 1 1 A 76 76 HIS HA H 76 4.610 4.578 0.032 1
1 872 . 14 1 1 A 76 76 HIS C C 76 174.200 175.329 -1.129 1
1 873 . 14 1 1 A 76 76 HIS CA C 76 55.100 58.868 -3.768 1
1 874 . 14 1 1 A 76 76 HIS CB C 76 28.700 30.120 -1.420 1
1 875 . 14 1 1 A 76 76 HIS N N 76 119.100 125.201 -6.101 1
1 876 . 14 1 1 A 77 77 HIS H H 77 8.540 7.783 0.757 1
1 877 . 14 1 1 A 77 77 HIS HA H 77 4.620 4.696 -0.076 1
1 880 . 14 1 1 A 77 77 HIS C C 77 174.100 174.127 -0.027 1
1 881 . 14 1 1 A 77 77 HIS CA C 77 55.300 56.401 -1.101 1
1 882 . 14 1 1 A 77 77 HIS CB C 77 28.900 32.530 -3.630 1
1 883 . 14 1 1 A 77 77 HIS N N 77 118.700 114.124 4.576 1
1 884 . 14 1 1 A 78 78 HIS H H 78 8.630 8.257 0.373 1
1 885 . 14 1 1 A 78 78 HIS HA H 78 4.660 4.717 -0.057 1
1 888 . 14 1 1 A 78 78 HIS C C 78 174.100 175.015 -0.915 1
1 889 . 14 1 1 A 78 78 HIS CA C 78 55.200 56.590 -1.390 1
1 890 . 14 1 1 A 78 78 HIS CB C 78 29.100 29.301 -0.201 1
1 891 . 14 1 1 A 78 78 HIS N N 78 119.500 125.479 -5.979 1
1 892 . 14 1 1 A 79 79 HIS H H 79 8.690 7.675 1.015 1
1 893 . 14 1 1 A 79 79 HIS HA H 79 4.660 4.549 0.111 1
1 896 . 14 1 1 A 79 79 HIS C C 79 173.900 174.608 -0.708 1
1 897 . 14 1 1 A 79 79 HIS CA C 79 55.200 53.843 1.357 1
1 898 . 14 1 1 A 79 79 HIS CB C 79 29.100 28.230 0.870 1
1 899 . 14 1 1 A 79 79 HIS N N 79 120.400 120.452 -0.052 1
1 900 . 14 1 1 A 80 80 HIS H H 80 8.590 8.166 0.424 1
1 901 . 14 1 1 A 80 80 HIS HA H 80 4.630 4.674 -0.044 1
1 904 . 14 1 1 A 80 80 HIS C C 80 173.400 174.254 -0.854 1
1 905 . 14 1 1 A 80 80 HIS CA C 80 55.400 55.656 -0.256 1
1 906 . 14 1 1 A 80 80 HIS CB C 80 29.300 30.990 -1.690 1
1 907 . 14 1 1 A 80 80 HIS N N 80 120.600 124.376 -3.776 1
1 7 . 15 1 1 A 2 2 GLU H H 2 8.850 8.175 0.675 1
1 8 . 15 1 1 A 2 2 GLU HA H 2 4.450 4.589 -0.139 1
1 13 . 15 1 1 A 2 2 GLU C C 2 175.400 176.465 -1.065 1
1 14 . 15 1 1 A 2 2 GLU CA C 2 55.900 58.168 -2.268 1
1 15 . 15 1 1 A 2 2 GLU CB C 2 30.300 31.372 -1.072 1
1 17 . 15 1 1 A 2 2 GLU N N 2 123.600 118.107 5.493 1
1 18 . 15 1 1 A 3 3 ILE H H 3 8.590 7.978 0.612 1
1 19 . 15 1 1 A 3 3 ILE HA H 3 4.310 3.717 0.593 1
1 29 . 15 1 1 A 3 3 ILE C C 3 175.100 175.171 -0.071 1
1 30 . 15 1 1 A 3 3 ILE CA C 3 60.700 63.918 -3.218 1
1 31 . 15 1 1 A 3 3 ILE CB C 3 39.500 36.335 3.165 1
1 35 . 15 1 1 A 3 3 ILE N N 3 122.100 119.631 2.469 1
1 36 . 15 1 1 A 4 4 THR H H 4 8.130 8.259 -0.129 1
1 37 . 15 1 1 A 4 4 THR HA H 4 4.540 4.193 0.347 1
1 42 . 15 1 1 A 4 4 THR C C 4 173.000 173.014 -0.014 1
1 43 . 15 1 1 A 4 4 THR CA C 4 59.700 61.738 -2.038 1
1 44 . 15 1 1 A 4 4 THR CB C 4 71.400 66.392 5.008 1
1 46 . 15 1 1 A 4 4 THR N N 4 116.800 114.160 2.640 1
1 47 . 15 1 1 A 5 5 CYS H H 5 8.700 8.321 0.379 1
1 48 . 15 1 1 A 5 5 CYS HA H 5 3.960 4.737 -0.777 1
1 51 . 15 1 1 A 5 5 CYS CA C 5 56.800 57.433 -0.633 1
1 52 . 15 1 1 A 5 5 CYS CB C 5 32.000 27.549 4.451 1
1 53 . 15 1 1 A 5 5 CYS N N 5 125.600 122.106 3.494 1
1 54 . 15 1 1 A 6 6 PRO HA H 6 4.260 4.439 -0.179 1
1 61 . 15 1 1 A 6 6 PRO C C 6 176.000 176.009 -0.009 1
1 62 . 15 1 1 A 6 6 PRO CA C 6 63.900 65.000 -1.100 1
1 63 . 15 1 1 A 6 6 PRO CB C 6 32.100 31.933 0.167 1
1 66 . 15 1 1 A 7 7 VAL H H 7 9.210 7.545 1.665 1
1 67 . 15 1 1 A 7 7 VAL HA H 7 3.820 4.595 -0.775 1
1 75 . 15 1 1 A 7 7 VAL CA C 7 64.900 59.813 5.087 1
1 76 . 15 1 1 A 7 7 VAL CB C 7 32.200 34.547 -2.347 1
1 79 . 15 1 1 A 7 7 VAL N N 7 122.500 112.057 10.443 1
1 80 . 15 1 1 A 8 8 CYS HA H 8 4.560 4.260 0.300 1
1 83 . 15 1 1 A 8 8 CYS C C 8 176.800 175.441 1.359 1
1 84 . 15 1 1 A 8 8 CYS CA C 8 58.900 59.932 -1.032 1
1 85 . 15 1 1 A 8 8 CYS CB C 8 32.000 25.637 6.363 1
1 86 . 15 1 1 A 9 9 HIS H H 9 7.550 8.132 -0.582 1
1 87 . 15 1 1 A 9 9 HIS HA H 9 4.470 4.618 -0.148 1
1 91 . 15 1 1 A 9 9 HIS CA C 9 56.900 60.254 -3.354 1
1 92 . 15 1 1 A 9 9 HIS CB C 9 25.900 29.956 -4.056 1
1 94 . 15 1 1 A 9 9 HIS N N 9 115.000 121.630 -6.630 1
1 95 . 15 1 1 A 10 10 HIS HA H 10 4.790 4.368 0.422 1
1 100 . 15 1 1 A 10 10 HIS C C 10 174.700 174.122 0.578 1
1 101 . 15 1 1 A 10 10 HIS CA C 10 55.700 58.782 -3.082 1
1 102 . 15 1 1 A 10 10 HIS CB C 10 29.800 29.448 0.352 1
1 105 . 15 1 1 A 11 11 ALA H H 11 8.790 7.533 1.257 1
1 106 . 15 1 1 A 11 11 ALA HA H 11 4.310 4.258 0.052 1
1 110 . 15 1 1 A 11 11 ALA C C 11 177.800 175.069 2.731 1
1 111 . 15 1 1 A 11 11 ALA CA C 11 53.400 51.656 1.744 1
1 112 . 15 1 1 A 11 11 ALA CB C 11 18.600 22.670 -4.070 1
1 113 . 15 1 1 A 11 11 ALA N N 11 124.500 118.763 5.737 1
1 114 . 15 1 1 A 12 12 LEU H H 12 8.480 8.191 0.289 1
1 115 . 15 1 1 A 12 12 LEU HA H 12 4.640 5.035 -0.395 1
1 125 . 15 1 1 A 12 12 LEU C C 12 176.900 174.865 2.035 1
1 126 . 15 1 1 A 12 12 LEU CA C 12 53.500 53.474 0.026 1
1 127 . 15 1 1 A 12 12 LEU CB C 12 44.100 45.426 -1.326 1
1 131 . 15 1 1 A 12 12 LEU N N 12 121.200 118.674 2.526 1
1 132 . 15 1 1 A 13 13 GLU H H 13 8.600 9.485 -0.885 1
1 133 . 15 1 1 A 13 13 GLU HA H 13 4.590 5.091 -0.501 1
1 138 . 15 1 1 A 13 13 GLU C C 13 175.700 175.743 -0.043 1
1 139 . 15 1 1 A 13 13 GLU CA C 13 54.700 54.943 -0.243 1
1 140 . 15 1 1 A 13 13 GLU CB C 13 30.200 32.834 -2.634 1
1 142 . 15 1 1 A 13 13 GLU N N 13 120.300 123.426 -3.126 1
1 143 . 15 1 1 A 14 14 ARG H H 14 9.010 8.495 0.515 1
1 144 . 15 1 1 A 14 14 ARG HA H 14 4.460 4.529 -0.069 1
1 151 . 15 1 1 A 14 14 ARG C C 14 174.900 174.992 -0.092 1
1 152 . 15 1 1 A 14 14 ARG CA C 14 56.400 55.706 0.694 1
1 153 . 15 1 1 A 14 14 ARG CB C 14 31.800 30.461 1.339 1
1 156 . 15 1 1 A 14 14 ARG N N 14 126.500 125.533 0.967 1
1 157 . 15 1 1 A 15 15 ASN H H 15 8.670 8.788 -0.118 1
1 158 . 15 1 1 A 15 15 ASN HA H 15 4.850 4.900 -0.050 1
1 161 . 15 1 1 A 15 15 ASN C C 15 174.900 175.349 -0.449 1
1 162 . 15 1 1 A 15 15 ASN CA C 15 52.100 51.895 0.205 1
1 163 . 15 1 1 A 15 15 ASN CB C 15 39.200 37.457 1.743 1
1 164 . 15 1 1 A 15 15 ASN N N 15 125.100 124.294 0.806 1
1 165 . 15 1 1 A 16 16 GLY H H 16 8.880 8.653 0.227 1
1 166 . 15 1 1 A 16 16 GLY HA2 H 16 3.570 3.854 -0.284 1
1 167 . 15 1 1 A 16 16 GLY HA3 H 16 4.000 3.857 0.143 1
1 168 . 15 1 1 A 16 16 GLY C C 16 173.700 174.490 -0.790 1
1 169 . 15 1 1 A 16 16 GLY CA C 16 47.200 47.271 -0.071 1
1 170 . 15 1 1 A 16 16 GLY N N 16 114.400 113.860 0.540 1
1 171 . 15 1 1 A 17 17 ASP H H 17 8.600 8.824 -0.224 1
1 172 . 15 1 1 A 17 17 ASP HA H 17 4.600 4.645 -0.045 1
1 175 . 15 1 1 A 17 17 ASP C C 17 174.800 175.735 -0.935 1
1 176 . 15 1 1 A 17 17 ASP CA C 17 53.800 54.717 -0.917 1
1 177 . 15 1 1 A 17 17 ASP CB C 17 40.200 41.015 -0.815 1
1 178 . 15 1 1 A 17 17 ASP N N 17 126.400 126.617 -0.217 1
1 179 . 15 1 1 A 18 18 THR H H 18 7.710 7.633 0.077 1
1 180 . 15 1 1 A 18 18 THR HA H 18 5.120 4.929 0.191 1
1 185 . 15 1 1 A 18 18 THR C C 18 171.900 173.322 -1.422 1
1 186 . 15 1 1 A 18 18 THR CA C 18 60.400 60.883 -0.483 1
1 187 . 15 1 1 A 18 18 THR CB C 18 72.300 71.308 0.992 1
1 189 . 15 1 1 A 18 18 THR N N 18 112.300 113.645 -1.345 1
1 190 . 15 1 1 A 19 19 ALA H H 19 9.090 8.935 0.155 1
1 191 . 15 1 1 A 19 19 ALA HA H 19 5.250 5.045 0.205 1
1 195 . 15 1 1 A 19 19 ALA C C 19 175.000 175.776 -0.776 1
1 196 . 15 1 1 A 19 19 ALA CA C 19 50.300 50.192 0.108 1
1 197 . 15 1 1 A 19 19 ALA CB C 19 23.900 20.759 3.141 1
1 198 . 15 1 1 A 19 19 ALA N N 19 123.300 125.664 -2.364 1
1 199 . 15 1 1 A 20 20 HIS H H 20 9.130 9.365 -0.235 1
1 200 . 15 1 1 A 20 20 HIS HA H 20 5.550 5.000 0.550 1
1 205 . 15 1 1 A 20 20 HIS C C 20 173.100 174.544 -1.444 1
1 206 . 15 1 1 A 20 20 HIS CA C 20 54.700 55.099 -0.399 1
1 207 . 15 1 1 A 20 20 HIS CB C 20 31.900 32.207 -0.307 1
1 210 . 15 1 1 A 20 20 HIS N N 20 120.000 125.202 -5.202 1
1 211 . 15 1 1 A 21 21 CYS H H 21 8.910 8.634 0.276 1
1 212 . 15 1 1 A 21 21 CYS HA H 21 4.700 4.437 0.263 1
1 215 . 15 1 1 A 21 21 CYS C C 21 176.400 175.021 1.379 1
1 216 . 15 1 1 A 21 21 CYS CA C 21 57.900 58.967 -1.067 1
1 217 . 15 1 1 A 21 21 CYS CB C 21 31.700 27.067 4.633 1
1 218 . 15 1 1 A 21 21 CYS N N 21 129.200 124.071 5.129 1
1 219 . 15 1 1 A 22 22 GLU H H 22 9.030 8.398 0.632 1
1 220 . 15 1 1 A 22 22 GLU HA H 22 4.130 4.146 -0.016 1
1 225 . 15 1 1 A 22 22 GLU C C 22 177.400 177.905 -0.505 1
1 226 . 15 1 1 A 22 22 GLU CA C 22 58.200 58.885 -0.685 1
1 227 . 15 1 1 A 22 22 GLU CB C 22 29.500 30.115 -0.615 1
1 229 . 15 1 1 A 22 22 GLU N N 22 128.800 125.180 3.620 1
1 230 . 15 1 1 A 23 23 THR H H 23 8.360 7.804 0.556 1
1 231 . 15 1 1 A 23 23 THR HA H 23 3.920 4.452 -0.532 1
1 236 . 15 1 1 A 23 23 THR C C 23 176.500 173.915 2.585 1
1 237 . 15 1 1 A 23 23 THR CA C 23 66.800 62.183 4.617 1
1 238 . 15 1 1 A 23 23 THR CB C 23 69.100 69.203 -0.103 1
1 240 . 15 1 1 A 23 23 THR N N 23 119.800 112.146 7.654 1
1 241 . 15 1 1 A 24 24 CYS H H 24 9.570 7.513 2.057 1
1 242 . 15 1 1 A 24 24 CYS HA H 24 3.880 4.942 -1.062 1
1 245 . 15 1 1 A 24 24 CYS C C 24 174.900 172.808 2.092 1
1 246 . 15 1 1 A 24 24 CYS CA C 24 62.000 56.960 5.040 1
1 247 . 15 1 1 A 24 24 CYS CB C 24 30.300 30.846 -0.546 1
1 248 . 15 1 1 A 24 24 CYS N N 24 123.600 117.439 6.161 1
1 249 . 15 1 1 A 25 25 ALA H H 25 7.720 8.554 -0.834 1
1 250 . 15 1 1 A 25 25 ALA HA H 25 3.820 4.326 -0.506 1
1 254 . 15 1 1 A 25 25 ALA C C 25 175.400 176.116 -0.716 1
1 255 . 15 1 1 A 25 25 ALA CA C 25 52.500 51.563 0.937 1
1 256 . 15 1 1 A 25 25 ALA CB C 25 16.000 17.482 -1.482 1
1 257 . 15 1 1 A 25 25 ALA N N 25 121.400 126.516 -5.116 1
1 258 . 15 1 1 A 26 26 LYS H H 26 6.910 7.690 -0.780 1
1 259 . 15 1 1 A 26 26 LYS HA H 26 4.450 4.655 -0.205 1
1 268 . 15 1 1 A 26 26 LYS CA C 26 54.600 55.294 -0.694 1
1 269 . 15 1 1 A 26 26 LYS CB C 26 37.900 36.053 1.847 1
1 273 . 15 1 1 A 26 26 LYS N N 26 116.100 122.409 -6.309 1
1 274 . 15 1 1 A 27 27 ASP HA H 27 5.610 5.401 0.209 1
1 277 . 15 1 1 A 27 27 ASP C C 27 174.400 174.552 -0.152 1
1 278 . 15 1 1 A 27 27 ASP CA C 27 53.000 52.496 0.504 1
1 279 . 15 1 1 A 27 27 ASP CB C 27 44.200 44.855 -0.655 1
1 280 . 15 1 1 A 28 28 PHE H H 28 9.200 9.594 -0.394 1
1 281 . 15 1 1 A 28 28 PHE HA H 28 4.890 5.189 -0.299 1
1 289 . 15 1 1 A 28 28 PHE C C 28 175.500 175.848 -0.348 1
1 290 . 15 1 1 A 28 28 PHE CA C 28 56.800 56.147 0.653 1
1 291 . 15 1 1 A 28 28 PHE CB C 28 42.900 41.704 1.196 1
1 297 . 15 1 1 A 28 28 PHE N N 28 118.100 122.328 -4.228 1
1 298 . 15 1 1 A 29 29 SER H H 29 9.070 8.713 0.357 1
1 299 . 15 1 1 A 29 29 SER HA H 29 4.750 4.981 -0.231 1
1 302 . 15 1 1 A 29 29 SER C C 29 173.400 173.857 -0.457 1
1 303 . 15 1 1 A 29 29 SER CA C 29 58.400 58.622 -0.222 1
1 304 . 15 1 1 A 29 29 SER CB C 29 64.100 64.223 -0.123 1
1 305 . 15 1 1 A 29 29 SER N N 29 118.400 119.097 -0.697 1
1 306 . 15 1 1 A 30 30 LEU H H 30 8.180 9.013 -0.833 1
1 307 . 15 1 1 A 30 30 LEU HA H 30 5.200 5.162 0.038 1
1 317 . 15 1 1 A 30 30 LEU CA C 30 53.100 53.437 -0.337 1
1 318 . 15 1 1 A 30 30 LEU CB C 30 44.800 44.108 0.692 1
1 322 . 15 1 1 A 30 30 LEU N N 30 122.200 126.467 -4.267 1
1 323 . 15 1 1 A 31 31 GLN HA H 31 4.680 4.840 -0.160 1
1 328 . 15 1 1 A 31 31 GLN C C 31 173.600 174.661 -1.061 1
1 329 . 15 1 1 A 31 31 GLN CA C 31 54.200 54.224 -0.024 1
1 330 . 15 1 1 A 31 31 GLN CB C 31 31.800 30.502 1.298 1
1 332 . 15 1 1 A 32 32 ALA H H 32 8.560 8.710 -0.150 1
1 333 . 15 1 1 A 32 32 ALA HA H 32 3.990 4.327 -0.337 1
1 337 . 15 1 1 A 32 32 ALA C C 32 175.600 176.524 -0.924 1
1 338 . 15 1 1 A 32 32 ALA CA C 32 50.900 51.574 -0.674 1
1 339 . 15 1 1 A 32 32 ALA CB C 32 20.300 18.983 1.317 1
1 340 . 15 1 1 A 32 32 ALA N N 32 128.100 130.231 -2.131 1
1 341 . 15 1 1 A 33 33 LEU H H 33 8.740 9.145 -0.405 1
1 342 . 15 1 1 A 33 33 LEU HA H 33 4.560 5.187 -0.627 1
1 352 . 15 1 1 A 33 33 LEU C C 33 175.400 175.539 -0.139 1
1 353 . 15 1 1 A 33 33 LEU CA C 33 52.700 53.435 -0.735 1
1 354 . 15 1 1 A 33 33 LEU CB C 33 44.200 45.658 -1.458 1
1 358 . 15 1 1 A 33 33 LEU N N 33 124.500 125.612 -1.112 1
1 359 . 15 1 1 A 34 34 CYS H H 34 8.260 8.736 -0.476 1
1 360 . 15 1 1 A 34 34 CYS HA H 34 4.270 4.889 -0.619 1
1 363 . 15 1 1 A 34 34 CYS CA C 34 56.900 57.002 -0.102 1
1 364 . 15 1 1 A 34 34 CYS CB C 34 31.400 28.877 2.523 1
1 365 . 15 1 1 A 34 34 CYS N N 34 123.600 124.126 -0.526 1
1 366 . 15 1 1 A 35 35 PRO HA H 35 4.290 4.452 -0.162 1
1 373 . 15 1 1 A 35 35 PRO C C 35 176.100 177.285 -1.185 1
1 374 . 15 1 1 A 35 35 PRO CA C 35 63.700 63.902 -0.202 1
1 375 . 15 1 1 A 35 35 PRO CB C 35 31.600 32.049 -0.449 1
1 378 . 15 1 1 A 36 36 ASP H H 36 8.980 8.561 0.419 1
1 379 . 15 1 1 A 36 36 ASP HA H 36 4.600 4.957 -0.357 1
1 382 . 15 1 1 A 36 36 ASP C C 36 176.500 176.605 -0.105 1
1 383 . 15 1 1 A 36 36 ASP CA C 36 56.400 55.748 0.652 1
1 384 . 15 1 1 A 36 36 ASP CB C 36 40.100 43.093 -2.993 1
1 385 . 15 1 1 A 36 36 ASP N N 36 122.200 117.328 4.872 1
1 386 . 15 1 1 A 37 37 CYS H H 37 7.840 7.814 0.026 1
1 387 . 15 1 1 A 37 37 CYS HA H 37 5.000 4.554 0.446 1
1 390 . 15 1 1 A 37 37 CYS C C 37 175.400 174.813 0.587 1
1 391 . 15 1 1 A 37 37 CYS CA C 37 58.400 58.324 0.076 1
1 392 . 15 1 1 A 37 37 CYS CB C 37 32.300 27.160 5.140 1
1 393 . 15 1 1 A 37 37 CYS N N 37 116.000 115.429 0.571 1
1 394 . 15 1 1 A 38 38 ARG H H 38 7.880 7.572 0.308 1
1 395 . 15 1 1 A 38 38 ARG HA H 38 4.050 4.572 -0.522 1
1 402 . 15 1 1 A 38 38 ARG C C 38 173.700 174.884 -1.184 1
1 403 . 15 1 1 A 38 38 ARG CA C 38 58.100 56.542 1.558 1
1 404 . 15 1 1 A 38 38 ARG CB C 38 27.400 30.260 -2.860 1
1 407 . 15 1 1 A 38 38 ARG N N 38 117.700 122.380 -4.680 1
1 408 . 15 1 1 A 39 39 GLN H H 39 7.720 8.024 -0.304 1
1 409 . 15 1 1 A 39 39 GLN HA H 39 4.710 4.818 -0.108 1
1 414 . 15 1 1 A 39 39 GLN CA C 39 53.900 52.684 1.216 1
1 415 . 15 1 1 A 39 39 GLN CB C 39 28.100 31.623 -3.523 1
1 417 . 15 1 1 A 39 39 GLN N N 39 117.500 125.179 -7.679 1
1 418 . 15 1 1 A 40 40 PRO HA H 40 4.570 4.537 0.033 1
1 425 . 15 1 1 A 40 40 PRO C C 40 176.600 177.367 -0.767 1
1 426 . 15 1 1 A 40 40 PRO CA C 40 63.700 63.430 0.270 1
1 427 . 15 1 1 A 40 40 PRO CB C 40 31.900 31.797 0.103 1
1 430 . 15 1 1 A 41 41 LEU H H 41 8.170 7.937 0.233 1
1 431 . 15 1 1 A 41 41 LEU HA H 41 4.460 4.217 0.243 1
1 441 . 15 1 1 A 41 41 LEU C C 41 177.200 176.361 0.839 1
1 442 . 15 1 1 A 41 41 LEU CA C 41 54.000 53.792 0.208 1
1 443 . 15 1 1 A 41 41 LEU CB C 41 43.200 41.666 1.534 1
1 447 . 15 1 1 A 41 41 LEU N N 41 124.100 123.124 0.976 1
1 448 . 15 1 1 A 42 42 GLN H H 42 9.240 8.081 1.159 1
1 449 . 15 1 1 A 42 42 GLN HA H 42 4.490 4.710 -0.220 1
1 454 . 15 1 1 A 42 42 GLN C C 42 175.000 175.141 -0.141 1
1 455 . 15 1 1 A 42 42 GLN CA C 42 55.300 54.694 0.606 1
1 456 . 15 1 1 A 42 42 GLN CB C 42 29.600 30.554 -0.954 1
1 458 . 15 1 1 A 42 42 GLN N N 42 122.100 120.366 1.734 1
1 459 . 15 1 1 A 43 43 VAL H H 43 8.600 8.693 -0.093 1
1 460 . 15 1 1 A 43 43 VAL HA H 43 4.260 4.413 -0.153 1
1 468 . 15 1 1 A 43 43 VAL C C 43 175.500 175.506 -0.006 1
1 469 . 15 1 1 A 43 43 VAL CA C 43 62.100 63.090 -0.990 1
1 470 . 15 1 1 A 43 43 VAL CB C 43 32.000 30.947 1.053 1
1 473 . 15 1 1 A 43 43 VAL N N 43 126.400 126.056 0.344 1
1 474 . 15 1 1 A 44 44 LEU H H 44 8.940 9.197 -0.257 1
1 475 . 15 1 1 A 44 44 LEU HA H 44 4.510 4.796 -0.286 1
1 485 . 15 1 1 A 44 44 LEU C C 44 175.500 175.736 -0.236 1
1 486 . 15 1 1 A 44 44 LEU CA C 44 53.400 54.237 -0.837 1
1 487 . 15 1 1 A 44 44 LEU CB C 44 42.800 41.362 1.438 1
1 491 . 15 1 1 A 44 44 LEU N N 44 130.200 129.583 0.617 1
1 492 . 15 1 1 A 45 45 LYS H H 45 8.520 9.013 -0.493 1
1 493 . 15 1 1 A 45 45 LYS HA H 45 4.830 4.830 0.000 1
1 502 . 15 1 1 A 45 45 LYS C C 45 175.600 175.027 0.573 1
1 503 . 15 1 1 A 45 45 LYS CA C 45 55.700 55.325 0.375 1
1 504 . 15 1 1 A 45 45 LYS CB C 45 33.500 32.412 1.088 1
1 508 . 15 1 1 A 45 45 LYS N N 45 123.700 124.827 -1.127 1
1 509 . 15 1 1 A 46 46 ALA H H 46 8.220 8.869 -0.649 1
1 510 . 15 1 1 A 46 46 ALA HA H 46 4.540 4.652 -0.112 1
1 514 . 15 1 1 A 46 46 ALA C C 46 176.900 177.206 -0.306 1
1 515 . 15 1 1 A 46 46 ALA CA C 46 51.900 51.152 0.748 1
1 516 . 15 1 1 A 46 46 ALA CB C 46 20.700 19.687 1.013 1
1 517 . 15 1 1 A 46 46 ALA N N 46 126.400 128.856 -2.456 1
1 518 . 15 1 1 A 47 47 CYS H H 47 9.200 8.799 0.401 1
1 519 . 15 1 1 A 47 47 CYS HA H 47 4.080 4.083 -0.003 1
1 522 . 15 1 1 A 47 47 CYS C C 47 175.100 175.014 0.086 1
1 523 . 15 1 1 A 47 47 CYS CA C 47 59.700 61.584 -1.884 1
1 524 . 15 1 1 A 47 47 CYS CB C 47 25.800 26.303 -0.503 1
1 525 . 15 1 1 A 47 47 CYS N N 47 120.400 120.911 -0.511 1
1 526 . 15 1 1 A 48 48 GLY H H 48 8.620 8.398 0.222 1
1 527 . 15 1 1 A 48 48 GLY HA2 H 48 3.670 4.030 -0.360 1
1 528 . 15 1 1 A 48 48 GLY HA3 H 48 4.070 4.033 0.037 1
1 529 . 15 1 1 A 48 48 GLY C C 48 173.100 173.500 -0.400 1
1 530 . 15 1 1 A 48 48 GLY CA C 48 45.500 45.250 0.250 1
1 531 . 15 1 1 A 48 48 GLY N N 48 109.000 109.530 -0.530 1
1 532 . 15 1 1 A 49 49 ALA H H 49 7.820 7.856 -0.036 1
1 533 . 15 1 1 A 49 49 ALA HA H 49 4.620 4.571 0.049 1
1 537 . 15 1 1 A 49 49 ALA C C 49 176.000 175.883 0.117 1
1 538 . 15 1 1 A 49 49 ALA CA C 49 51.000 50.527 0.473 1
1 539 . 15 1 1 A 49 49 ALA CB C 49 21.300 20.965 0.335 1
1 540 . 15 1 1 A 49 49 ALA N N 49 124.000 122.692 1.308 1
1 541 . 15 1 1 A 50 50 VAL H H 50 8.100 9.182 -1.082 1
1 542 . 15 1 1 A 50 50 VAL HA H 50 4.560 4.822 -0.262 1
1 550 . 15 1 1 A 50 50 VAL C C 50 174.300 174.758 -0.458 1
1 551 . 15 1 1 A 50 50 VAL CA C 50 61.400 61.786 -0.386 1
1 552 . 15 1 1 A 50 50 VAL CB C 50 33.800 32.932 0.868 1
1 555 . 15 1 1 A 50 50 VAL N N 50 119.600 123.933 -4.333 1
1 556 . 15 1 1 A 51 51 ASP H H 51 8.640 9.393 -0.753 1
1 557 . 15 1 1 A 51 51 ASP HA H 51 5.030 5.367 -0.337 1
1 560 . 15 1 1 A 51 51 ASP C C 51 173.000 174.334 -1.334 1
1 561 . 15 1 1 A 51 51 ASP CA C 51 52.000 53.077 -1.077 1
1 562 . 15 1 1 A 51 51 ASP CB C 51 43.900 42.992 0.908 1
1 563 . 15 1 1 A 51 51 ASP N N 51 124.900 127.893 -2.993 1
1 564 . 15 1 1 A 52 52 TYR H H 52 8.950 9.087 -0.137 1
1 565 . 15 1 1 A 52 52 TYR HA H 52 5.150 5.000 0.150 1
1 572 . 15 1 1 A 52 52 TYR C C 52 174.500 174.616 -0.116 1
1 573 . 15 1 1 A 52 52 TYR CA C 52 57.300 57.118 0.182 1
1 574 . 15 1 1 A 52 52 TYR CB C 52 41.200 38.724 2.476 1
1 579 . 15 1 1 A 52 52 TYR N N 52 118.500 126.183 -7.683 1
1 580 . 15 1 1 A 53 53 PHE H H 53 9.250 8.567 0.683 1
1 581 . 15 1 1 A 53 53 PHE HA H 53 5.040 4.987 0.053 1
1 588 . 15 1 1 A 53 53 PHE C C 53 173.200 174.124 -0.924 1
1 589 . 15 1 1 A 53 53 PHE CA C 53 56.400 56.681 -0.281 1
1 590 . 15 1 1 A 53 53 PHE CB C 53 44.300 43.166 1.134 1
1 595 . 15 1 1 A 53 53 PHE N N 53 123.100 128.217 -5.117 1
1 596 . 15 1 1 A 54 54 CYS H H 54 9.160 7.729 1.431 1
1 597 . 15 1 1 A 54 54 CYS HA H 54 4.690 4.442 0.248 1
1 600 . 15 1 1 A 54 54 CYS C C 54 175.700 174.650 1.050 1
1 601 . 15 1 1 A 54 54 CYS CA C 54 58.200 58.172 0.028 1
1 602 . 15 1 1 A 54 54 CYS CB C 54 29.600 27.272 2.328 1
1 603 . 15 1 1 A 54 54 CYS N N 54 130.800 123.787 7.013 1
1 604 . 15 1 1 A 55 55 GLN H H 55 9.260 8.793 0.467 1
1 605 . 15 1 1 A 55 55 GLN HA H 55 4.300 4.603 -0.303 1
1 610 . 15 1 1 A 55 55 GLN C C 55 174.400 174.516 -0.116 1
1 611 . 15 1 1 A 55 55 GLN CA C 55 56.900 55.719 1.181 1
1 612 . 15 1 1 A 55 55 GLN CB C 55 28.900 31.830 -2.930 1
1 614 . 15 1 1 A 55 55 GLN N N 55 129.000 123.192 5.808 1
1 615 . 15 1 1 A 56 56 ASN H H 56 9.100 9.378 -0.278 1
1 616 . 15 1 1 A 56 56 ASN HA H 56 4.860 4.434 0.426 1
1 619 . 15 1 1 A 56 56 ASN C C 56 174.100 175.446 -1.346 1
1 620 . 15 1 1 A 56 56 ASN CA C 56 52.100 54.471 -2.371 1
1 621 . 15 1 1 A 56 56 ASN CB C 56 39.500 37.354 2.146 1
1 622 . 15 1 1 A 56 56 ASN N N 56 122.300 125.091 -2.791 1
1 623 . 15 1 1 A 57 57 GLY H H 57 7.180 8.361 -1.181 1
1 624 . 15 1 1 A 57 57 GLY HA2 H 57 3.450 3.996 -0.546 1
1 625 . 15 1 1 A 57 57 GLY HA3 H 57 4.000 4.002 -0.002 1
1 626 . 15 1 1 A 57 57 GLY C C 57 175.800 174.722 1.078 1
1 627 . 15 1 1 A 57 57 GLY CA C 57 45.100 45.483 -0.383 1
1 628 . 15 1 1 A 57 57 GLY N N 57 104.200 104.931 -0.731 1
1 629 . 15 1 1 A 58 58 HIS H H 58 7.380 8.029 -0.649 1
1 630 . 15 1 1 A 58 58 HIS HA H 58 4.620 4.074 0.546 1
1 633 . 15 1 1 A 58 58 HIS C C 58 174.100 175.172 -1.072 1
1 634 . 15 1 1 A 58 58 HIS CA C 58 59.600 59.483 0.117 1
1 635 . 15 1 1 A 58 58 HIS CB C 58 30.100 30.909 -0.809 1
1 636 . 15 1 1 A 58 58 HIS N N 58 116.000 122.325 -6.325 1
1 637 . 15 1 1 A 59 59 GLY H H 59 7.610 7.580 0.030 1
1 638 . 15 1 1 A 59 59 GLY HA2 H 59 2.930 4.072 -1.142 1
1 639 . 15 1 1 A 59 59 GLY HA3 H 59 3.700 4.075 -0.375 1
1 640 . 15 1 1 A 59 59 GLY C C 59 173.100 171.583 1.517 1
1 641 . 15 1 1 A 59 59 GLY CA C 59 45.500 45.706 -0.206 1
1 642 . 15 1 1 A 59 59 GLY N N 59 108.000 105.679 2.321 1
1 643 . 15 1 1 A 60 60 LEU H H 60 8.450 8.429 0.021 1
1 644 . 15 1 1 A 60 60 LEU HA H 60 4.620 4.125 0.495 1
1 654 . 15 1 1 A 60 60 LEU C C 60 176.800 173.814 2.986 1
1 655 . 15 1 1 A 60 60 LEU CA C 60 55.700 53.433 2.267 1
1 656 . 15 1 1 A 60 60 LEU CB C 60 42.200 44.254 -2.054 1
1 660 . 15 1 1 A 60 60 LEU N N 60 124.300 119.975 4.325 1
1 661 . 15 1 1 A 61 61 ILE H H 61 8.740 7.689 1.051 1
1 662 . 15 1 1 A 61 61 ILE HA H 61 4.200 4.708 -0.508 1
1 672 . 15 1 1 A 61 61 ILE C C 61 175.500 174.932 0.568 1
1 673 . 15 1 1 A 61 61 ILE CA C 61 57.000 59.586 -2.586 1
1 674 . 15 1 1 A 61 61 ILE CB C 61 37.400 41.742 -4.342 1
1 678 . 15 1 1 A 61 61 ILE N N 61 128.500 122.162 6.338 1
1 679 . 15 1 1 A 62 62 SER H H 62 8.490 8.732 -0.242 1
1 680 . 15 1 1 A 62 62 SER HA H 62 4.380 4.548 -0.168 1
1 683 . 15 1 1 A 62 62 SER C C 62 176.500 176.451 0.049 1
1 684 . 15 1 1 A 62 62 SER CA C 62 58.300 58.795 -0.495 1
1 685 . 15 1 1 A 62 62 SER CB C 62 63.500 63.455 0.045 1
1 686 . 15 1 1 A 62 62 SER N N 62 121.700 121.941 -0.241 1
1 687 . 15 1 1 A 63 63 LYS H H 63 9.040 9.377 -0.337 1
1 688 . 15 1 1 A 63 63 LYS HA H 63 3.910 4.393 -0.483 1
1 697 . 15 1 1 A 63 63 LYS C C 63 178.200 177.506 0.694 1
1 698 . 15 1 1 A 63 63 LYS CA C 63 60.300 58.333 1.967 1
1 699 . 15 1 1 A 63 63 LYS CB C 63 32.000 32.062 -0.062 1
1 703 . 15 1 1 A 63 63 LYS N N 63 126.000 130.109 -4.109 1
1 704 . 15 1 1 A 64 64 LYS H H 64 8.090 7.920 0.170 1
1 705 . 15 1 1 A 64 64 LYS HA H 64 4.190 4.268 -0.078 1
1 714 . 15 1 1 A 64 64 LYS C C 64 177.000 177.704 -0.704 1
1 715 . 15 1 1 A 64 64 LYS CA C 64 58.000 57.017 0.983 1
1 716 . 15 1 1 A 64 64 LYS CB C 64 32.300 33.059 -0.759 1
1 720 . 15 1 1 A 64 64 LYS N N 64 115.400 117.976 -2.576 1
1 721 . 15 1 1 A 65 65 ARG H H 65 7.960 7.975 -0.015 1
1 722 . 15 1 1 A 65 65 ARG HA H 65 4.280 4.565 -0.285 1
1 729 . 15 1 1 A 65 65 ARG C C 65 176.000 175.607 0.393 1
1 730 . 15 1 1 A 65 65 ARG CA C 65 55.900 54.931 0.969 1
1 731 . 15 1 1 A 65 65 ARG CB C 65 32.000 30.519 1.481 1
1 734 . 15 1 1 A 65 65 ARG N N 65 116.600 117.582 -0.982 1
1 735 . 15 1 1 A 66 66 VAL H H 66 6.810 7.295 -0.485 1
1 736 . 15 1 1 A 66 66 VAL HA H 66 2.800 3.852 -1.052 1
1 744 . 15 1 1 A 66 66 VAL C C 66 174.500 175.108 -0.608 1
1 745 . 15 1 1 A 66 66 VAL CA C 66 65.000 62.807 2.193 1
1 746 . 15 1 1 A 66 66 VAL CB C 66 32.000 32.083 -0.083 1
1 749 . 15 1 1 A 66 66 VAL N N 66 119.600 120.577 -0.977 1
1 750 . 15 1 1 A 67 67 ASN H H 67 7.270 8.614 -1.344 1
1 751 . 15 1 1 A 67 67 ASN HA H 67 4.840 4.891 -0.051 1
1 756 . 15 1 1 A 67 67 ASN C C 67 173.200 173.678 -0.478 1
1 757 . 15 1 1 A 67 67 ASN CA C 67 51.200 51.754 -0.554 1
1 758 . 15 1 1 A 67 67 ASN CB C 67 39.100 38.334 0.766 1
1 759 . 15 1 1 A 67 67 ASN N N 67 123.500 126.406 -2.906 1
1 761 . 15 1 1 A 68 68 PHE H H 68 8.180 8.976 -0.796 1
1 762 . 15 1 1 A 68 68 PHE HA H 68 5.170 5.032 0.138 1
1 770 . 15 1 1 A 68 68 PHE C C 68 175.300 175.075 0.225 1
1 771 . 15 1 1 A 68 68 PHE CA C 68 58.000 57.773 0.227 1
1 772 . 15 1 1 A 68 68 PHE CB C 68 41.100 39.053 2.047 1
1 778 . 15 1 1 A 68 68 PHE N N 68 123.300 126.309 -3.009 1
1 779 . 15 1 1 A 69 69 VAL H H 69 8.660 9.328 -0.668 1
1 780 . 15 1 1 A 69 69 VAL HA H 69 4.520 4.445 0.075 1
1 788 . 15 1 1 A 69 69 VAL C C 69 175.100 175.935 -0.835 1
1 789 . 15 1 1 A 69 69 VAL CA C 69 59.200 61.936 -2.736 1
1 790 . 15 1 1 A 69 69 VAL CB C 69 35.100 32.883 2.217 1
1 793 . 15 1 1 A 69 69 VAL N N 69 116.500 124.248 -7.748 1
1 794 . 15 1 1 A 70 70 ILE H H 70 8.480 8.646 -0.166 1
1 795 . 15 1 1 A 70 70 ILE HA H 70 4.350 4.325 0.025 1
1 805 . 15 1 1 A 70 70 ILE C C 70 176.400 175.420 0.980 1
1 806 . 15 1 1 A 70 70 ILE CA C 70 61.300 61.719 -0.419 1
1 807 . 15 1 1 A 70 70 ILE CB C 70 38.200 36.890 1.310 1
1 811 . 15 1 1 A 70 70 ILE N N 70 123.100 129.286 -6.186 1
1 812 . 15 1 1 A 71 71 SER H H 71 8.770 9.571 -0.801 1
1 813 . 15 1 1 A 71 71 SER HA H 71 4.550 5.106 -0.556 1
1 816 . 15 1 1 A 71 71 SER C C 71 174.200 172.278 1.922 1
1 817 . 15 1 1 A 71 71 SER CA C 71 57.700 57.869 -0.169 1
1 818 . 15 1 1 A 71 71 SER CB C 71 64.100 63.989 0.111 1
1 819 . 15 1 1 A 71 71 SER N N 71 122.200 125.677 -3.477 1
1 820 . 15 1 1 A 72 72 ASP H H 72 8.470 9.102 -0.632 1
1 821 . 15 1 1 A 72 72 ASP HA H 72 4.720 5.284 -0.564 1
1 824 . 15 1 1 A 72 72 ASP C C 72 176.100 175.987 0.113 1
1 825 . 15 1 1 A 72 72 ASP CA C 72 54.200 52.823 1.377 1
1 826 . 15 1 1 A 72 72 ASP CB C 72 41.200 42.599 -1.399 1
1 827 . 15 1 1 A 72 72 ASP N N 72 122.700 127.940 -5.240 1
1 828 . 15 1 1 A 73 73 GLN H H 73 8.490 8.726 -0.236 1
1 829 . 15 1 1 A 73 73 GLN HA H 73 4.310 4.463 -0.153 1
1 834 . 15 1 1 A 73 73 GLN C C 73 176.000 176.534 -0.534 1
1 835 . 15 1 1 A 73 73 GLN CA C 73 56.100 55.875 0.225 1
1 836 . 15 1 1 A 73 73 GLN CB C 73 29.200 29.689 -0.489 1
1 838 . 15 1 1 A 73 73 GLN N N 73 120.300 126.480 -6.180 1
1 839 . 15 1 1 A 74 74 LEU H H 74 8.250 8.273 -0.023 1
1 840 . 15 1 1 A 74 74 LEU HA H 74 4.250 4.560 -0.310 1
1 850 . 15 1 1 A 74 74 LEU C C 74 177.100 177.354 -0.254 1
1 851 . 15 1 1 A 74 74 LEU CA C 74 55.200 54.250 0.950 1
1 852 . 15 1 1 A 74 74 LEU CB C 74 42.100 41.931 0.169 1
1 856 . 15 1 1 A 74 74 LEU N N 74 123.000 119.982 3.018 1
1 857 . 15 1 1 A 75 75 GLU H H 75 8.260 8.164 0.096 1
1 858 . 15 1 1 A 75 75 GLU HA H 75 4.170 4.343 -0.173 1
1 863 . 15 1 1 A 75 75 GLU C C 75 176.200 177.015 -0.815 1
1 864 . 15 1 1 A 75 75 GLU CA C 75 56.300 58.181 -1.881 1
1 865 . 15 1 1 A 75 75 GLU CB C 75 29.800 29.725 0.075 1
1 867 . 15 1 1 A 75 75 GLU N N 75 120.700 119.212 1.488 1
1 868 . 15 1 1 A 76 76 HIS H H 76 8.480 7.374 1.106 1
1 869 . 15 1 1 A 76 76 HIS HA H 76 4.610 4.827 -0.217 1
1 872 . 15 1 1 A 76 76 HIS C C 76 174.200 174.597 -0.397 1
1 873 . 15 1 1 A 76 76 HIS CA C 76 55.100 55.199 -0.099 1
1 874 . 15 1 1 A 76 76 HIS CB C 76 28.700 29.722 -1.022 1
1 875 . 15 1 1 A 76 76 HIS N N 76 119.100 116.625 2.475 1
1 876 . 15 1 1 A 77 77 HIS H H 77 8.540 8.375 0.165 1
1 877 . 15 1 1 A 77 77 HIS HA H 77 4.620 5.400 -0.780 1
1 880 . 15 1 1 A 77 77 HIS C C 77 174.100 173.631 0.469 1
1 881 . 15 1 1 A 77 77 HIS CA C 77 55.300 54.137 1.163 1
1 882 . 15 1 1 A 77 77 HIS CB C 77 28.900 31.909 -3.009 1
1 883 . 15 1 1 A 77 77 HIS N N 77 118.700 119.395 -0.695 1
1 884 . 15 1 1 A 78 78 HIS H H 78 8.630 8.611 0.019 1
1 885 . 15 1 1 A 78 78 HIS HA H 78 4.660 4.965 -0.305 1
1 888 . 15 1 1 A 78 78 HIS C C 78 174.100 173.827 0.273 1
1 889 . 15 1 1 A 78 78 HIS CA C 78 55.200 54.912 0.288 1
1 890 . 15 1 1 A 78 78 HIS CB C 78 29.100 31.611 -2.511 1
1 891 . 15 1 1 A 78 78 HIS N N 78 119.500 117.560 1.940 1
1 892 . 15 1 1 A 79 79 HIS H H 79 8.690 8.965 -0.275 1
1 893 . 15 1 1 A 79 79 HIS HA H 79 4.660 4.204 0.456 1
1 896 . 15 1 1 A 79 79 HIS C C 79 173.900 174.329 -0.429 1
1 897 . 15 1 1 A 79 79 HIS CA C 79 55.200 56.744 -1.544 1
1 898 . 15 1 1 A 79 79 HIS CB C 79 29.100 28.259 0.841 1
1 899 . 15 1 1 A 79 79 HIS N N 79 120.400 118.701 1.699 1
1 900 . 15 1 1 A 80 80 HIS H H 80 8.590 8.332 0.258 1
1 901 . 15 1 1 A 80 80 HIS HA H 80 4.630 4.711 -0.081 1
1 904 . 15 1 1 A 80 80 HIS C C 80 173.400 173.224 0.176 1
1 905 . 15 1 1 A 80 80 HIS CA C 80 55.400 53.393 2.007 1
1 906 . 15 1 1 A 80 80 HIS CB C 80 29.300 30.623 -1.323 1
1 907 . 15 1 1 A 80 80 HIS N N 80 120.600 126.817 -6.217 1
1 7 . 16 1 1 A 2 2 GLU H H 2 8.850 8.046 0.804 1
1 8 . 16 1 1 A 2 2 GLU HA H 2 4.450 4.138 0.312 1
1 13 . 16 1 1 A 2 2 GLU C C 2 175.400 175.512 -0.112 1
1 14 . 16 1 1 A 2 2 GLU CA C 2 55.900 58.521 -2.621 1
1 15 . 16 1 1 A 2 2 GLU CB C 2 30.300 28.319 1.981 1
1 17 . 16 1 1 A 2 2 GLU N N 2 123.600 117.623 5.977 1
1 18 . 16 1 1 A 3 3 ILE H H 3 8.590 8.403 0.187 1
1 19 . 16 1 1 A 3 3 ILE HA H 3 4.310 4.984 -0.674 1
1 29 . 16 1 1 A 3 3 ILE C C 3 175.100 175.018 0.082 1
1 30 . 16 1 1 A 3 3 ILE CA C 3 60.700 59.386 1.314 1
1 31 . 16 1 1 A 3 3 ILE CB C 3 39.500 40.966 -1.466 1
1 35 . 16 1 1 A 3 3 ILE N N 3 122.100 117.350 4.750 1
1 36 . 16 1 1 A 4 4 THR H H 4 8.130 8.948 -0.818 1
1 37 . 16 1 1 A 4 4 THR HA H 4 4.540 5.226 -0.686 1
1 42 . 16 1 1 A 4 4 THR C C 4 173.000 173.597 -0.597 1
1 43 . 16 1 1 A 4 4 THR CA C 4 59.700 59.251 0.449 1
1 44 . 16 1 1 A 4 4 THR CB C 4 71.400 72.107 -0.707 1
1 46 . 16 1 1 A 4 4 THR N N 4 116.800 117.310 -0.510 1
1 47 . 16 1 1 A 5 5 CYS H H 5 8.700 9.253 -0.553 1
1 48 . 16 1 1 A 5 5 CYS HA H 5 3.960 4.581 -0.621 1
1 51 . 16 1 1 A 5 5 CYS CA C 5 56.800 58.041 -1.241 1
1 52 . 16 1 1 A 5 5 CYS CB C 5 32.000 27.297 4.703 1
1 53 . 16 1 1 A 5 5 CYS N N 5 125.600 121.664 3.936 1
1 54 . 16 1 1 A 6 6 PRO HA H 6 4.260 4.373 -0.113 1
1 61 . 16 1 1 A 6 6 PRO C C 6 176.000 177.482 -1.482 1
1 62 . 16 1 1 A 6 6 PRO CA C 6 63.900 64.353 -0.453 1
1 63 . 16 1 1 A 6 6 PRO CB C 6 32.100 31.906 0.194 1
1 66 . 16 1 1 A 7 7 VAL H H 7 9.210 7.737 1.473 1
1 67 . 16 1 1 A 7 7 VAL HA H 7 3.820 4.226 -0.406 1
1 75 . 16 1 1 A 7 7 VAL CA C 7 64.900 63.584 1.316 1
1 76 . 16 1 1 A 7 7 VAL CB C 7 32.200 33.650 -1.450 1
1 79 . 16 1 1 A 7 7 VAL N N 7 122.500 115.133 7.367 1
1 80 . 16 1 1 A 8 8 CYS HA H 8 4.560 4.491 0.069 1
1 83 . 16 1 1 A 8 8 CYS C C 8 176.800 175.085 1.715 1
1 84 . 16 1 1 A 8 8 CYS CA C 8 58.900 59.016 -0.116 1
1 85 . 16 1 1 A 8 8 CYS CB C 8 32.000 28.848 3.152 1
1 86 . 16 1 1 A 9 9 HIS H H 9 7.550 7.922 -0.372 1
1 87 . 16 1 1 A 9 9 HIS HA H 9 4.470 4.826 -0.356 1
1 91 . 16 1 1 A 9 9 HIS CA C 9 56.900 58.104 -1.204 1
1 92 . 16 1 1 A 9 9 HIS CB C 9 25.900 28.608 -2.708 1
1 94 . 16 1 1 A 9 9 HIS N N 9 115.000 116.884 -1.884 1
1 95 . 16 1 1 A 10 10 HIS HA H 10 4.790 4.511 0.279 1
1 100 . 16 1 1 A 10 10 HIS C C 10 174.700 174.543 0.157 1
1 101 . 16 1 1 A 10 10 HIS CA C 10 55.700 57.599 -1.899 1
1 102 . 16 1 1 A 10 10 HIS CB C 10 29.800 28.603 1.197 1
1 105 . 16 1 1 A 11 11 ALA H H 11 8.790 8.571 0.219 1
1 106 . 16 1 1 A 11 11 ALA HA H 11 4.310 4.476 -0.166 1
1 110 . 16 1 1 A 11 11 ALA C C 11 177.800 176.779 1.021 1
1 111 . 16 1 1 A 11 11 ALA CA C 11 53.400 51.823 1.577 1
1 112 . 16 1 1 A 11 11 ALA CB C 11 18.600 20.071 -1.471 1
1 113 . 16 1 1 A 11 11 ALA N N 11 124.500 125.185 -0.685 1
1 114 . 16 1 1 A 12 12 LEU H H 12 8.480 8.494 -0.014 1
1 115 . 16 1 1 A 12 12 LEU HA H 12 4.640 5.255 -0.615 1
1 125 . 16 1 1 A 12 12 LEU C C 12 176.900 175.214 1.686 1
1 126 . 16 1 1 A 12 12 LEU CA C 12 53.500 53.650 -0.150 1
1 127 . 16 1 1 A 12 12 LEU CB C 12 44.100 45.383 -1.283 1
1 131 . 16 1 1 A 12 12 LEU N N 12 121.200 120.198 1.002 1
1 132 . 16 1 1 A 13 13 GLU H H 13 8.600 9.176 -0.576 1
1 133 . 16 1 1 A 13 13 GLU HA H 13 4.590 5.081 -0.491 1
1 138 . 16 1 1 A 13 13 GLU C C 13 175.700 175.637 0.063 1
1 139 . 16 1 1 A 13 13 GLU CA C 13 54.700 54.978 -0.278 1
1 140 . 16 1 1 A 13 13 GLU CB C 13 30.200 32.728 -2.528 1
1 142 . 16 1 1 A 13 13 GLU N N 13 120.300 122.121 -1.821 1
1 143 . 16 1 1 A 14 14 ARG H H 14 9.010 8.699 0.311 1
1 144 . 16 1 1 A 14 14 ARG HA H 14 4.460 4.445 0.015 1
1 151 . 16 1 1 A 14 14 ARG C C 14 174.900 176.329 -1.429 1
1 152 . 16 1 1 A 14 14 ARG CA C 14 56.400 56.099 0.301 1
1 153 . 16 1 1 A 14 14 ARG CB C 14 31.800 29.834 1.966 1
1 156 . 16 1 1 A 14 14 ARG N N 14 126.500 127.676 -1.176 1
1 157 . 16 1 1 A 15 15 ASN H H 15 8.670 8.991 -0.321 1
1 158 . 16 1 1 A 15 15 ASN HA H 15 4.850 4.480 0.370 1
1 161 . 16 1 1 A 15 15 ASN C C 15 174.900 175.545 -0.645 1
1 162 . 16 1 1 A 15 15 ASN CA C 15 52.100 53.916 -1.816 1
1 163 . 16 1 1 A 15 15 ASN CB C 15 39.200 39.724 -0.524 1
1 164 . 16 1 1 A 15 15 ASN N N 15 125.100 125.312 -0.212 1
1 165 . 16 1 1 A 16 16 GLY H H 16 8.880 7.256 1.624 1
1 166 . 16 1 1 A 16 16 GLY HA2 H 16 3.570 4.054 -0.484 1
1 167 . 16 1 1 A 16 16 GLY HA3 H 16 4.000 4.063 -0.063 1
1 168 . 16 1 1 A 16 16 GLY C C 16 173.700 174.091 -0.391 1
1 169 . 16 1 1 A 16 16 GLY CA C 16 47.200 45.712 1.488 1
1 170 . 16 1 1 A 16 16 GLY N N 16 114.400 106.786 7.614 1
1 171 . 16 1 1 A 17 17 ASP H H 17 8.600 8.695 -0.095 1
1 172 . 16 1 1 A 17 17 ASP HA H 17 4.600 4.760 -0.160 1
1 175 . 16 1 1 A 17 17 ASP C C 17 174.800 175.343 -0.543 1
1 176 . 16 1 1 A 17 17 ASP CA C 17 53.800 54.330 -0.530 1
1 177 . 16 1 1 A 17 17 ASP CB C 17 40.200 41.143 -0.943 1
1 178 . 16 1 1 A 17 17 ASP N N 17 126.400 122.841 3.559 1
1 179 . 16 1 1 A 18 18 THR H H 18 7.710 7.562 0.148 1
1 180 . 16 1 1 A 18 18 THR HA H 18 5.120 5.272 -0.152 1
1 185 . 16 1 1 A 18 18 THR C C 18 171.900 172.653 -0.753 1
1 186 . 16 1 1 A 18 18 THR CA C 18 60.400 59.899 0.501 1
1 187 . 16 1 1 A 18 18 THR CB C 18 72.300 71.920 0.380 1
1 189 . 16 1 1 A 18 18 THR N N 18 112.300 108.873 3.427 1
1 190 . 16 1 1 A 19 19 ALA H H 19 9.090 9.387 -0.297 1
1 191 . 16 1 1 A 19 19 ALA HA H 19 5.250 5.497 -0.247 1
1 195 . 16 1 1 A 19 19 ALA C C 19 175.000 175.383 -0.383 1
1 196 . 16 1 1 A 19 19 ALA CA C 19 50.300 50.156 0.144 1
1 197 . 16 1 1 A 19 19 ALA CB C 19 23.900 21.360 2.540 1
1 198 . 16 1 1 A 19 19 ALA N N 19 123.300 124.293 -0.993 1
1 199 . 16 1 1 A 20 20 HIS H H 20 9.130 9.478 -0.348 1
1 200 . 16 1 1 A 20 20 HIS HA H 20 5.550 5.061 0.489 1
1 205 . 16 1 1 A 20 20 HIS C C 20 173.100 174.325 -1.225 1
1 206 . 16 1 1 A 20 20 HIS CA C 20 54.700 54.661 0.039 1
1 207 . 16 1 1 A 20 20 HIS CB C 20 31.900 32.602 -0.702 1
1 210 . 16 1 1 A 20 20 HIS N N 20 120.000 124.256 -4.256 1
1 211 . 16 1 1 A 21 21 CYS H H 21 8.910 8.306 0.604 1
1 212 . 16 1 1 A 21 21 CYS HA H 21 4.700 4.481 0.219 1
1 215 . 16 1 1 A 21 21 CYS C C 21 176.400 174.533 1.867 1
1 216 . 16 1 1 A 21 21 CYS CA C 21 57.900 58.886 -0.986 1
1 217 . 16 1 1 A 21 21 CYS CB C 21 31.700 27.272 4.428 1
1 218 . 16 1 1 A 21 21 CYS N N 21 129.200 124.590 4.610 1
1 219 . 16 1 1 A 22 22 GLU H H 22 9.030 9.171 -0.141 1
1 220 . 16 1 1 A 22 22 GLU HA H 22 4.130 4.195 -0.065 1
1 225 . 16 1 1 A 22 22 GLU C C 22 177.400 178.303 -0.903 1
1 226 . 16 1 1 A 22 22 GLU CA C 22 58.200 59.097 -0.897 1
1 227 . 16 1 1 A 22 22 GLU CB C 22 29.500 30.305 -0.805 1
1 229 . 16 1 1 A 22 22 GLU N N 22 128.800 124.195 4.605 1
1 230 . 16 1 1 A 23 23 THR H H 23 8.360 7.499 0.861 1
1 231 . 16 1 1 A 23 23 THR HA H 23 3.920 4.315 -0.395 1
1 236 . 16 1 1 A 23 23 THR C C 23 176.500 173.356 3.144 1
1 237 . 16 1 1 A 23 23 THR CA C 23 66.800 62.273 4.527 1
1 238 . 16 1 1 A 23 23 THR CB C 23 69.100 68.993 0.107 1
1 240 . 16 1 1 A 23 23 THR N N 23 119.800 109.066 10.734 1
1 241 . 16 1 1 A 24 24 CYS H H 24 9.570 7.576 1.994 1
1 242 . 16 1 1 A 24 24 CYS HA H 24 3.880 4.742 -0.862 1
1 245 . 16 1 1 A 24 24 CYS C C 24 174.900 173.069 1.831 1
1 246 . 16 1 1 A 24 24 CYS CA C 24 62.000 57.282 4.718 1
1 247 . 16 1 1 A 24 24 CYS CB C 24 30.300 31.341 -1.041 1
1 248 . 16 1 1 A 24 24 CYS N N 24 123.600 117.842 5.758 1
1 249 . 16 1 1 A 25 25 ALA H H 25 7.720 8.530 -0.810 1
1 250 . 16 1 1 A 25 25 ALA HA H 25 3.820 4.279 -0.459 1
1 254 . 16 1 1 A 25 25 ALA C C 25 175.400 176.147 -0.747 1
1 255 . 16 1 1 A 25 25 ALA CA C 25 52.500 51.518 0.982 1
1 256 . 16 1 1 A 25 25 ALA CB C 25 16.000 17.468 -1.468 1
1 257 . 16 1 1 A 25 25 ALA N N 25 121.400 125.999 -4.599 1
1 258 . 16 1 1 A 26 26 LYS H H 26 6.910 7.704 -0.794 1
1 259 . 16 1 1 A 26 26 LYS HA H 26 4.450 4.694 -0.244 1
1 268 . 16 1 1 A 26 26 LYS CA C 26 54.600 54.624 -0.024 1
1 269 . 16 1 1 A 26 26 LYS CB C 26 37.900 35.281 2.619 1
1 273 . 16 1 1 A 26 26 LYS N N 26 116.100 119.722 -3.622 1
1 274 . 16 1 1 A 27 27 ASP HA H 27 5.610 5.350 0.260 1
1 277 . 16 1 1 A 27 27 ASP C C 27 174.400 175.141 -0.741 1
1 278 . 16 1 1 A 27 27 ASP CA C 27 53.000 52.511 0.489 1
1 279 . 16 1 1 A 27 27 ASP CB C 27 44.200 43.753 0.447 1
1 280 . 16 1 1 A 28 28 PHE H H 28 9.200 9.217 -0.017 1
1 281 . 16 1 1 A 28 28 PHE HA H 28 4.890 5.076 -0.186 1
1 289 . 16 1 1 A 28 28 PHE C C 28 175.500 175.729 -0.229 1
1 290 . 16 1 1 A 28 28 PHE CA C 28 56.800 57.374 -0.574 1
1 291 . 16 1 1 A 28 28 PHE CB C 28 42.900 40.936 1.964 1
1 297 . 16 1 1 A 28 28 PHE N N 28 118.100 122.875 -4.775 1
1 298 . 16 1 1 A 29 29 SER H H 29 9.070 9.014 0.056 1
1 299 . 16 1 1 A 29 29 SER HA H 29 4.750 4.813 -0.063 1
1 302 . 16 1 1 A 29 29 SER C C 29 173.400 174.372 -0.972 1
1 303 . 16 1 1 A 29 29 SER CA C 29 58.400 58.863 -0.463 1
1 304 . 16 1 1 A 29 29 SER CB C 29 64.100 63.729 0.371 1
1 305 . 16 1 1 A 29 29 SER N N 29 118.400 120.468 -2.068 1
1 306 . 16 1 1 A 30 30 LEU H H 30 8.180 8.959 -0.779 1
1 307 . 16 1 1 A 30 30 LEU HA H 30 5.200 5.199 0.001 1
1 317 . 16 1 1 A 30 30 LEU CA C 30 53.100 53.600 -0.500 1
1 318 . 16 1 1 A 30 30 LEU CB C 30 44.800 44.368 0.432 1
1 322 . 16 1 1 A 30 30 LEU N N 30 122.200 126.478 -4.278 1
1 323 . 16 1 1 A 31 31 GLN HA H 31 4.680 4.750 -0.070 1
1 328 . 16 1 1 A 31 31 GLN C C 31 173.600 174.078 -0.478 1
1 329 . 16 1 1 A 31 31 GLN CA C 31 54.200 54.074 0.126 1
1 330 . 16 1 1 A 31 31 GLN CB C 31 31.800 32.420 -0.620 1
1 332 . 16 1 1 A 32 32 ALA H H 32 8.560 8.183 0.377 1
1 333 . 16 1 1 A 32 32 ALA HA H 32 3.990 3.823 0.167 1
1 337 . 16 1 1 A 32 32 ALA C C 32 175.600 176.326 -0.726 1
1 338 . 16 1 1 A 32 32 ALA CA C 32 50.900 51.377 -0.477 1
1 339 . 16 1 1 A 32 32 ALA CB C 32 20.300 18.549 1.751 1
1 340 . 16 1 1 A 32 32 ALA N N 32 128.100 128.646 -0.546 1
1 341 . 16 1 1 A 33 33 LEU H H 33 8.740 9.089 -0.349 1
1 342 . 16 1 1 A 33 33 LEU HA H 33 4.560 5.098 -0.538 1
1 352 . 16 1 1 A 33 33 LEU C C 33 175.400 174.327 1.073 1
1 353 . 16 1 1 A 33 33 LEU CA C 33 52.700 53.221 -0.521 1
1 354 . 16 1 1 A 33 33 LEU CB C 33 44.200 45.970 -1.770 1
1 358 . 16 1 1 A 33 33 LEU N N 33 124.500 125.667 -1.167 1
1 359 . 16 1 1 A 34 34 CYS H H 34 8.260 8.141 0.119 1
1 360 . 16 1 1 A 34 34 CYS HA H 34 4.270 4.855 -0.585 1
1 363 . 16 1 1 A 34 34 CYS CA C 34 56.900 56.127 0.773 1
1 364 . 16 1 1 A 34 34 CYS CB C 34 31.400 29.551 1.849 1
1 365 . 16 1 1 A 34 34 CYS N N 34 123.600 124.674 -1.074 1
1 366 . 16 1 1 A 35 35 PRO HA H 35 4.290 4.288 0.002 1
1 373 . 16 1 1 A 35 35 PRO C C 35 176.100 177.034 -0.934 1
1 374 . 16 1 1 A 35 35 PRO CA C 35 63.700 65.054 -1.354 1
1 375 . 16 1 1 A 35 35 PRO CB C 35 31.600 31.723 -0.123 1
1 378 . 16 1 1 A 36 36 ASP H H 36 8.980 8.545 0.435 1
1 379 . 16 1 1 A 36 36 ASP HA H 36 4.600 4.655 -0.055 1
1 382 . 16 1 1 A 36 36 ASP C C 36 176.500 175.657 0.843 1
1 383 . 16 1 1 A 36 36 ASP CA C 36 56.400 54.524 1.876 1
1 384 . 16 1 1 A 36 36 ASP CB C 36 40.100 42.040 -1.940 1
1 385 . 16 1 1 A 36 36 ASP N N 36 122.200 114.787 7.413 1
1 386 . 16 1 1 A 37 37 CYS H H 37 7.840 7.952 -0.112 1
1 387 . 16 1 1 A 37 37 CYS HA H 37 5.000 4.879 0.121 1
1 390 . 16 1 1 A 37 37 CYS C C 37 175.400 174.675 0.725 1
1 391 . 16 1 1 A 37 37 CYS CA C 37 58.400 57.647 0.753 1
1 392 . 16 1 1 A 37 37 CYS CB C 37 32.300 29.713 2.587 1
1 393 . 16 1 1 A 37 37 CYS N N 37 116.000 115.864 0.136 1
1 394 . 16 1 1 A 38 38 ARG H H 38 7.880 8.891 -1.011 1
1 395 . 16 1 1 A 38 38 ARG HA H 38 4.050 4.496 -0.446 1
1 402 . 16 1 1 A 38 38 ARG C C 38 173.700 176.478 -2.778 1
1 403 . 16 1 1 A 38 38 ARG CA C 38 58.100 55.854 2.246 1
1 404 . 16 1 1 A 38 38 ARG CB C 38 27.400 30.291 -2.891 1
1 407 . 16 1 1 A 38 38 ARG N N 38 117.700 122.376 -4.676 1
1 408 . 16 1 1 A 39 39 GLN H H 39 7.720 7.843 -0.123 1
1 409 . 16 1 1 A 39 39 GLN HA H 39 4.710 4.532 0.178 1
1 414 . 16 1 1 A 39 39 GLN CA C 39 53.900 56.969 -3.069 1
1 415 . 16 1 1 A 39 39 GLN CB C 39 28.100 31.271 -3.171 1
1 417 . 16 1 1 A 39 39 GLN N N 39 117.500 116.866 0.634 1
1 418 . 16 1 1 A 40 40 PRO HA H 40 4.570 4.574 -0.004 1
1 425 . 16 1 1 A 40 40 PRO C C 40 176.600 176.209 0.391 1
1 426 . 16 1 1 A 40 40 PRO CA C 40 63.700 63.688 0.012 1
1 427 . 16 1 1 A 40 40 PRO CB C 40 31.900 31.511 0.389 1
1 430 . 16 1 1 A 41 41 LEU H H 41 8.170 7.563 0.607 1
1 431 . 16 1 1 A 41 41 LEU HA H 41 4.460 4.320 0.140 1
1 441 . 16 1 1 A 41 41 LEU C C 41 177.200 176.578 0.622 1
1 442 . 16 1 1 A 41 41 LEU CA C 41 54.000 54.520 -0.520 1
1 443 . 16 1 1 A 41 41 LEU CB C 41 43.200 42.722 0.478 1
1 447 . 16 1 1 A 41 41 LEU N N 41 124.100 121.116 2.984 1
1 448 . 16 1 1 A 42 42 GLN H H 42 9.240 8.531 0.709 1
1 449 . 16 1 1 A 42 42 GLN HA H 42 4.490 4.504 -0.014 1
1 454 . 16 1 1 A 42 42 GLN C C 42 175.000 175.416 -0.416 1
1 455 . 16 1 1 A 42 42 GLN CA C 42 55.300 55.821 -0.521 1
1 456 . 16 1 1 A 42 42 GLN CB C 42 29.600 29.813 -0.213 1
1 458 . 16 1 1 A 42 42 GLN N N 42 122.100 123.520 -1.420 1
1 459 . 16 1 1 A 43 43 VAL H H 43 8.600 8.486 0.114 1
1 460 . 16 1 1 A 43 43 VAL HA H 43 4.260 3.788 0.472 1
1 468 . 16 1 1 A 43 43 VAL C C 43 175.500 175.083 0.417 1
1 469 . 16 1 1 A 43 43 VAL CA C 43 62.100 62.369 -0.269 1
1 470 . 16 1 1 A 43 43 VAL CB C 43 32.000 30.606 1.394 1
1 473 . 16 1 1 A 43 43 VAL N N 43 126.400 123.465 2.935 1
1 474 . 16 1 1 A 44 44 LEU H H 44 8.940 9.170 -0.230 1
1 475 . 16 1 1 A 44 44 LEU HA H 44 4.510 4.765 -0.255 1
1 485 . 16 1 1 A 44 44 LEU C C 44 175.500 175.943 -0.443 1
1 486 . 16 1 1 A 44 44 LEU CA C 44 53.400 54.029 -0.629 1
1 487 . 16 1 1 A 44 44 LEU CB C 44 42.800 41.847 0.953 1
1 491 . 16 1 1 A 44 44 LEU N N 44 130.200 129.074 1.126 1
1 492 . 16 1 1 A 45 45 LYS H H 45 8.520 8.791 -0.271 1
1 493 . 16 1 1 A 45 45 LYS HA H 45 4.830 5.075 -0.245 1
1 502 . 16 1 1 A 45 45 LYS C C 45 175.600 174.882 0.718 1
1 503 . 16 1 1 A 45 45 LYS CA C 45 55.700 55.246 0.454 1
1 504 . 16 1 1 A 45 45 LYS CB C 45 33.500 33.645 -0.145 1
1 508 . 16 1 1 A 45 45 LYS N N 45 123.700 124.979 -1.279 1
1 509 . 16 1 1 A 46 46 ALA H H 46 8.220 8.934 -0.714 1
1 510 . 16 1 1 A 46 46 ALA HA H 46 4.540 4.584 -0.044 1
1 514 . 16 1 1 A 46 46 ALA C C 46 176.900 177.176 -0.276 1
1 515 . 16 1 1 A 46 46 ALA CA C 46 51.900 50.630 1.270 1
1 516 . 16 1 1 A 46 46 ALA CB C 46 20.700 18.899 1.801 1
1 517 . 16 1 1 A 46 46 ALA N N 46 126.400 128.514 -2.114 1
1 518 . 16 1 1 A 47 47 CYS H H 47 9.200 8.720 0.480 1
1 519 . 16 1 1 A 47 47 CYS HA H 47 4.080 4.305 -0.225 1
1 522 . 16 1 1 A 47 47 CYS C C 47 175.100 174.695 0.405 1
1 523 . 16 1 1 A 47 47 CYS CA C 47 59.700 61.285 -1.585 1
1 524 . 16 1 1 A 47 47 CYS CB C 47 25.800 27.424 -1.624 1
1 525 . 16 1 1 A 47 47 CYS N N 47 120.400 124.179 -3.779 1
1 526 . 16 1 1 A 48 48 GLY H H 48 8.620 8.705 -0.085 1
1 527 . 16 1 1 A 48 48 GLY HA2 H 48 3.670 4.017 -0.347 1
1 528 . 16 1 1 A 48 48 GLY HA3 H 48 4.070 4.017 0.053 1
1 529 . 16 1 1 A 48 48 GLY C C 48 173.100 174.020 -0.920 1
1 530 . 16 1 1 A 48 48 GLY CA C 48 45.500 45.404 0.096 1
1 531 . 16 1 1 A 48 48 GLY N N 48 109.000 108.451 0.549 1
1 532 . 16 1 1 A 49 49 ALA H H 49 7.820 7.479 0.341 1
1 533 . 16 1 1 A 49 49 ALA HA H 49 4.620 4.466 0.154 1
1 537 . 16 1 1 A 49 49 ALA C C 49 176.000 176.736 -0.736 1
1 538 . 16 1 1 A 49 49 ALA CA C 49 51.000 51.846 -0.846 1
1 539 . 16 1 1 A 49 49 ALA CB C 49 21.300 20.629 0.671 1
1 540 . 16 1 1 A 49 49 ALA N N 49 124.000 123.557 0.443 1
1 541 . 16 1 1 A 50 50 VAL H H 50 8.100 9.025 -0.925 1
1 542 . 16 1 1 A 50 50 VAL HA H 50 4.560 5.051 -0.491 1
1 550 . 16 1 1 A 50 50 VAL C C 50 174.300 174.036 0.264 1
1 551 . 16 1 1 A 50 50 VAL CA C 50 61.400 59.654 1.746 1
1 552 . 16 1 1 A 50 50 VAL CB C 50 33.800 34.473 -0.673 1
1 555 . 16 1 1 A 50 50 VAL N N 50 119.600 116.176 3.424 1
1 556 . 16 1 1 A 51 51 ASP H H 51 8.640 9.062 -0.422 1
1 557 . 16 1 1 A 51 51 ASP HA H 51 5.030 5.428 -0.398 1
1 560 . 16 1 1 A 51 51 ASP C C 51 173.000 174.476 -1.476 1
1 561 . 16 1 1 A 51 51 ASP CA C 51 52.000 52.935 -0.935 1
1 562 . 16 1 1 A 51 51 ASP CB C 51 43.900 44.661 -0.761 1
1 563 . 16 1 1 A 51 51 ASP N N 51 124.900 125.240 -0.340 1
1 564 . 16 1 1 A 52 52 TYR H H 52 8.950 9.062 -0.112 1
1 565 . 16 1 1 A 52 52 TYR HA H 52 5.150 5.269 -0.119 1
1 572 . 16 1 1 A 52 52 TYR C C 52 174.500 175.143 -0.643 1
1 573 . 16 1 1 A 52 52 TYR CA C 52 57.300 57.055 0.245 1
1 574 . 16 1 1 A 52 52 TYR CB C 52 41.200 39.209 1.991 1
1 579 . 16 1 1 A 52 52 TYR N N 52 118.500 126.522 -8.022 1
1 580 . 16 1 1 A 53 53 PHE H H 53 9.250 9.080 0.170 1
1 581 . 16 1 1 A 53 53 PHE HA H 53 5.040 4.826 0.214 1
1 588 . 16 1 1 A 53 53 PHE C C 53 173.200 174.123 -0.923 1
1 589 . 16 1 1 A 53 53 PHE CA C 53 56.400 57.959 -1.559 1
1 590 . 16 1 1 A 53 53 PHE CB C 53 44.300 41.181 3.119 1
1 595 . 16 1 1 A 53 53 PHE N N 53 123.100 123.924 -0.824 1
1 596 . 16 1 1 A 54 54 CYS H H 54 9.160 8.634 0.526 1
1 597 . 16 1 1 A 54 54 CYS HA H 54 4.690 4.565 0.125 1
1 600 . 16 1 1 A 54 54 CYS C C 54 175.700 174.435 1.265 1
1 601 . 16 1 1 A 54 54 CYS CA C 54 58.200 58.416 -0.216 1
1 602 . 16 1 1 A 54 54 CYS CB C 54 29.600 26.839 2.761 1
1 603 . 16 1 1 A 54 54 CYS N N 54 130.800 124.749 6.051 1
1 604 . 16 1 1 A 55 55 GLN H H 55 9.260 8.296 0.964 1
1 605 . 16 1 1 A 55 55 GLN HA H 55 4.300 4.254 0.046 1
1 610 . 16 1 1 A 55 55 GLN C C 55 174.400 176.034 -1.634 1
1 611 . 16 1 1 A 55 55 GLN CA C 55 56.900 57.929 -1.029 1
1 612 . 16 1 1 A 55 55 GLN CB C 55 28.900 29.767 -0.867 1
1 614 . 16 1 1 A 55 55 GLN N N 55 129.000 125.928 3.072 1
1 615 . 16 1 1 A 56 56 ASN H H 56 9.100 7.954 1.146 1
1 616 . 16 1 1 A 56 56 ASN HA H 56 4.860 5.165 -0.305 1
1 619 . 16 1 1 A 56 56 ASN C C 56 174.100 175.968 -1.868 1
1 620 . 16 1 1 A 56 56 ASN CA C 56 52.100 52.449 -0.349 1
1 621 . 16 1 1 A 56 56 ASN CB C 56 39.500 40.140 -0.640 1
1 622 . 16 1 1 A 56 56 ASN N N 56 122.300 116.099 6.201 1
1 623 . 16 1 1 A 57 57 GLY H H 57 7.180 8.598 -1.418 1
1 624 . 16 1 1 A 57 57 GLY HA2 H 57 3.450 4.032 -0.582 1
1 625 . 16 1 1 A 57 57 GLY HA3 H 57 4.000 4.041 -0.041 1
1 626 . 16 1 1 A 57 57 GLY C C 57 175.800 173.327 2.473 1
1 627 . 16 1 1 A 57 57 GLY CA C 57 45.100 45.365 -0.265 1
1 628 . 16 1 1 A 57 57 GLY N N 57 104.200 112.360 -8.160 1
1 629 . 16 1 1 A 58 58 HIS H H 58 7.380 7.927 -0.547 1
1 630 . 16 1 1 A 58 58 HIS HA H 58 4.620 4.790 -0.170 1
1 633 . 16 1 1 A 58 58 HIS C C 58 174.100 174.365 -0.265 1
1 634 . 16 1 1 A 58 58 HIS CA C 58 59.600 56.850 2.750 1
1 635 . 16 1 1 A 58 58 HIS CB C 58 30.100 31.398 -1.298 1
1 636 . 16 1 1 A 58 58 HIS N N 58 116.000 117.457 -1.457 1
1 637 . 16 1 1 A 59 59 GLY H H 59 7.610 7.851 -0.241 1
1 638 . 16 1 1 A 59 59 GLY HA2 H 59 2.930 3.989 -1.059 1
1 639 . 16 1 1 A 59 59 GLY HA3 H 59 3.700 4.029 -0.329 1
1 640 . 16 1 1 A 59 59 GLY C C 59 173.100 173.430 -0.330 1
1 641 . 16 1 1 A 59 59 GLY CA C 59 45.500 44.319 1.181 1
1 642 . 16 1 1 A 59 59 GLY N N 59 108.000 105.783 2.217 1
1 643 . 16 1 1 A 60 60 LEU H H 60 8.450 8.455 -0.005 1
1 644 . 16 1 1 A 60 60 LEU HA H 60 4.620 3.591 1.029 1
1 654 . 16 1 1 A 60 60 LEU C C 60 176.800 175.927 0.873 1
1 655 . 16 1 1 A 60 60 LEU CA C 60 55.700 54.728 0.972 1
1 656 . 16 1 1 A 60 60 LEU CB C 60 42.200 42.528 -0.328 1
1 660 . 16 1 1 A 60 60 LEU N N 60 124.300 118.486 5.814 1
1 661 . 16 1 1 A 61 61 ILE H H 61 8.740 7.955 0.785 1
1 662 . 16 1 1 A 61 61 ILE HA H 61 4.200 4.598 -0.398 1
1 672 . 16 1 1 A 61 61 ILE C C 61 175.500 175.190 0.310 1
1 673 . 16 1 1 A 61 61 ILE CA C 61 57.000 59.611 -2.611 1
1 674 . 16 1 1 A 61 61 ILE CB C 61 37.400 40.023 -2.623 1
1 678 . 16 1 1 A 61 61 ILE N N 61 128.500 124.435 4.065 1
1 679 . 16 1 1 A 62 62 SER H H 62 8.490 8.725 -0.235 1
1 680 . 16 1 1 A 62 62 SER HA H 62 4.380 4.666 -0.286 1
1 683 . 16 1 1 A 62 62 SER C C 62 176.500 176.546 -0.046 1
1 684 . 16 1 1 A 62 62 SER CA C 62 58.300 57.763 0.537 1
1 685 . 16 1 1 A 62 62 SER CB C 62 63.500 63.685 -0.185 1
1 686 . 16 1 1 A 62 62 SER N N 62 121.700 120.162 1.538 1
1 687 . 16 1 1 A 63 63 LYS H H 63 9.040 8.773 0.267 1
1 688 . 16 1 1 A 63 63 LYS HA H 63 3.910 4.265 -0.355 1
1 697 . 16 1 1 A 63 63 LYS C C 63 178.200 176.962 1.238 1
1 698 . 16 1 1 A 63 63 LYS CA C 63 60.300 58.355 1.945 1
1 699 . 16 1 1 A 63 63 LYS CB C 63 32.000 31.879 0.121 1
1 703 . 16 1 1 A 63 63 LYS N N 63 126.000 125.057 0.943 1
1 704 . 16 1 1 A 64 64 LYS H H 64 8.090 7.484 0.606 1
1 705 . 16 1 1 A 64 64 LYS HA H 64 4.190 4.281 -0.091 1
1 714 . 16 1 1 A 64 64 LYS C C 64 177.000 177.443 -0.443 1
1 715 . 16 1 1 A 64 64 LYS CA C 64 58.000 57.129 0.871 1
1 716 . 16 1 1 A 64 64 LYS CB C 64 32.300 32.376 -0.076 1
1 720 . 16 1 1 A 64 64 LYS N N 64 115.400 118.031 -2.631 1
1 721 . 16 1 1 A 65 65 ARG H H 65 7.960 8.148 -0.188 1
1 722 . 16 1 1 A 65 65 ARG HA H 65 4.280 4.461 -0.181 1
1 729 . 16 1 1 A 65 65 ARG C C 65 176.000 175.773 0.227 1
1 730 . 16 1 1 A 65 65 ARG CA C 65 55.900 55.709 0.191 1
1 731 . 16 1 1 A 65 65 ARG CB C 65 32.000 32.649 -0.649 1
1 734 . 16 1 1 A 65 65 ARG N N 65 116.600 117.316 -0.716 1
1 735 . 16 1 1 A 66 66 VAL H H 66 6.810 7.216 -0.406 1
1 736 . 16 1 1 A 66 66 VAL HA H 66 2.800 4.074 -1.274 1
1 744 . 16 1 1 A 66 66 VAL C C 66 174.500 176.021 -1.521 1
1 745 . 16 1 1 A 66 66 VAL CA C 66 65.000 62.003 2.997 1
1 746 . 16 1 1 A 66 66 VAL CB C 66 32.000 32.602 -0.602 1
1 749 . 16 1 1 A 66 66 VAL N N 66 119.600 117.417 2.183 1
1 750 . 16 1 1 A 67 67 ASN H H 67 7.270 8.666 -1.396 1
1 751 . 16 1 1 A 67 67 ASN HA H 67 4.840 5.154 -0.314 1
1 756 . 16 1 1 A 67 67 ASN C C 67 173.200 174.266 -1.066 1
1 757 . 16 1 1 A 67 67 ASN CA C 67 51.200 52.774 -1.574 1
1 758 . 16 1 1 A 67 67 ASN CB C 67 39.100 38.969 0.131 1
1 759 . 16 1 1 A 67 67 ASN N N 67 123.500 123.361 0.139 1
1 761 . 16 1 1 A 68 68 PHE H H 68 8.180 9.144 -0.964 1
1 762 . 16 1 1 A 68 68 PHE HA H 68 5.170 5.098 0.072 1
1 770 . 16 1 1 A 68 68 PHE C C 68 175.300 175.634 -0.334 1
1 771 . 16 1 1 A 68 68 PHE CA C 68 58.000 57.956 0.044 1
1 772 . 16 1 1 A 68 68 PHE CB C 68 41.100 38.494 2.606 1
1 778 . 16 1 1 A 68 68 PHE N N 68 123.300 124.643 -1.343 1
1 779 . 16 1 1 A 69 69 VAL H H 69 8.660 8.857 -0.197 1
1 780 . 16 1 1 A 69 69 VAL HA H 69 4.520 4.868 -0.348 1
1 788 . 16 1 1 A 69 69 VAL C C 69 175.100 175.215 -0.115 1
1 789 . 16 1 1 A 69 69 VAL CA C 69 59.200 60.514 -1.314 1
1 790 . 16 1 1 A 69 69 VAL CB C 69 35.100 33.294 1.806 1
1 793 . 16 1 1 A 69 69 VAL N N 69 116.500 119.468 -2.968 1
1 794 . 16 1 1 A 70 70 ILE H H 70 8.480 8.644 -0.164 1
1 795 . 16 1 1 A 70 70 ILE HA H 70 4.350 4.321 0.029 1
1 805 . 16 1 1 A 70 70 ILE C C 70 176.400 175.411 0.989 1
1 806 . 16 1 1 A 70 70 ILE CA C 70 61.300 61.471 -0.171 1
1 807 . 16 1 1 A 70 70 ILE CB C 70 38.200 37.775 0.425 1
1 811 . 16 1 1 A 70 70 ILE N N 70 123.100 124.951 -1.851 1
1 812 . 16 1 1 A 71 71 SER H H 71 8.770 9.222 -0.452 1
1 813 . 16 1 1 A 71 71 SER HA H 71 4.550 4.482 0.068 1
1 816 . 16 1 1 A 71 71 SER C C 71 174.200 174.467 -0.267 1
1 817 . 16 1 1 A 71 71 SER CA C 71 57.700 57.960 -0.260 1
1 818 . 16 1 1 A 71 71 SER CB C 71 64.100 60.718 3.382 1
1 819 . 16 1 1 A 71 71 SER N N 71 122.200 124.503 -2.303 1
1 820 . 16 1 1 A 72 72 ASP H H 72 8.470 8.095 0.375 1
1 821 . 16 1 1 A 72 72 ASP HA H 72 4.720 4.936 -0.216 1
1 824 . 16 1 1 A 72 72 ASP C C 72 176.100 176.294 -0.194 1
1 825 . 16 1 1 A 72 72 ASP CA C 72 54.200 53.642 0.558 1
1 826 . 16 1 1 A 72 72 ASP CB C 72 41.200 41.828 -0.628 1
1 827 . 16 1 1 A 72 72 ASP N N 72 122.700 121.892 0.808 1
1 828 . 16 1 1 A 73 73 GLN H H 73 8.490 7.534 0.956 1
1 829 . 16 1 1 A 73 73 GLN HA H 73 4.310 4.550 -0.240 1
1 834 . 16 1 1 A 73 73 GLN C C 73 176.000 175.645 0.355 1
1 835 . 16 1 1 A 73 73 GLN CA C 73 56.100 54.526 1.574 1
1 836 . 16 1 1 A 73 73 GLN CB C 73 29.200 26.892 2.308 1
1 838 . 16 1 1 A 73 73 GLN N N 73 120.300 118.923 1.377 1
1 839 . 16 1 1 A 74 74 LEU H H 74 8.250 8.424 -0.174 1
1 840 . 16 1 1 A 74 74 LEU HA H 74 4.250 4.506 -0.256 1
1 850 . 16 1 1 A 74 74 LEU C C 74 177.100 176.915 0.185 1
1 851 . 16 1 1 A 74 74 LEU CA C 74 55.200 55.072 0.128 1
1 852 . 16 1 1 A 74 74 LEU CB C 74 42.100 43.838 -1.738 1
1 856 . 16 1 1 A 74 74 LEU N N 74 123.000 126.155 -3.155 1
1 857 . 16 1 1 A 75 75 GLU H H 75 8.260 7.528 0.732 1
1 858 . 16 1 1 A 75 75 GLU HA H 75 4.170 4.401 -0.231 1
1 863 . 16 1 1 A 75 75 GLU C C 75 176.200 177.273 -1.073 1
1 864 . 16 1 1 A 75 75 GLU CA C 75 56.300 56.603 -0.303 1
1 865 . 16 1 1 A 75 75 GLU CB C 75 29.800 30.310 -0.510 1
1 867 . 16 1 1 A 75 75 GLU N N 75 120.700 119.967 0.733 1
1 868 . 16 1 1 A 76 76 HIS H H 76 8.480 8.998 -0.518 1
1 869 . 16 1 1 A 76 76 HIS HA H 76 4.610 4.127 0.483 1
1 872 . 16 1 1 A 76 76 HIS C C 76 174.200 174.968 -0.768 1
1 873 . 16 1 1 A 76 76 HIS CA C 76 55.100 56.753 -1.653 1
1 874 . 16 1 1 A 76 76 HIS CB C 76 28.700 28.128 0.572 1
1 875 . 16 1 1 A 76 76 HIS N N 76 119.100 121.649 -2.549 1
1 876 . 16 1 1 A 77 77 HIS H H 77 8.540 7.977 0.563 1
1 877 . 16 1 1 A 77 77 HIS HA H 77 4.620 4.417 0.203 1
1 880 . 16 1 1 A 77 77 HIS C C 77 174.100 175.243 -1.143 1
1 881 . 16 1 1 A 77 77 HIS CA C 77 55.300 56.839 -1.539 1
1 882 . 16 1 1 A 77 77 HIS CB C 77 28.900 30.520 -1.620 1
1 883 . 16 1 1 A 77 77 HIS N N 77 118.700 120.613 -1.913 1
1 884 . 16 1 1 A 78 78 HIS H H 78 8.630 8.612 0.018 1
1 885 . 16 1 1 A 78 78 HIS HA H 78 4.660 4.533 0.127 1
1 888 . 16 1 1 A 78 78 HIS C C 78 174.100 175.288 -1.188 1
1 889 . 16 1 1 A 78 78 HIS CA C 78 55.200 57.280 -2.080 1
1 890 . 16 1 1 A 78 78 HIS CB C 78 29.100 29.901 -0.801 1
1 891 . 16 1 1 A 78 78 HIS N N 78 119.500 124.852 -5.352 1
1 892 . 16 1 1 A 79 79 HIS H H 79 8.690 8.192 0.498 1
1 893 . 16 1 1 A 79 79 HIS HA H 79 4.660 5.029 -0.369 1
1 896 . 16 1 1 A 79 79 HIS C C 79 173.900 174.217 -0.317 1
1 897 . 16 1 1 A 79 79 HIS CA C 79 55.200 54.610 0.590 1
1 898 . 16 1 1 A 79 79 HIS CB C 79 29.100 31.396 -2.296 1
1 899 . 16 1 1 A 79 79 HIS N N 79 120.400 120.125 0.275 1
1 900 . 16 1 1 A 80 80 HIS H H 80 8.590 8.953 -0.363 1
1 901 . 16 1 1 A 80 80 HIS HA H 80 4.630 4.547 0.083 1
1 904 . 16 1 1 A 80 80 HIS C C 80 173.400 174.595 -1.195 1
1 905 . 16 1 1 A 80 80 HIS CA C 80 55.400 58.065 -2.665 1
1 906 . 16 1 1 A 80 80 HIS CB C 80 29.300 31.645 -2.345 1
1 907 . 16 1 1 A 80 80 HIS N N 80 120.600 120.643 -0.043 1
1 7 . 17 1 1 A 2 2 GLU H H 2 8.850 8.868 -0.018 1
1 8 . 17 1 1 A 2 2 GLU HA H 2 4.450 4.532 -0.082 1
1 13 . 17 1 1 A 2 2 GLU C C 2 175.400 175.363 0.037 1
1 14 . 17 1 1 A 2 2 GLU CA C 2 55.900 55.809 0.091 1
1 15 . 17 1 1 A 2 2 GLU CB C 2 30.300 29.797 0.503 1
1 17 . 17 1 1 A 2 2 GLU N N 2 123.600 122.543 1.057 1
1 18 . 17 1 1 A 3 3 ILE H H 3 8.590 7.867 0.723 1
1 19 . 17 1 1 A 3 3 ILE HA H 3 4.310 3.847 0.463 1
1 29 . 17 1 1 A 3 3 ILE C C 3 175.100 174.989 0.111 1
1 30 . 17 1 1 A 3 3 ILE CA C 3 60.700 61.654 -0.954 1
1 31 . 17 1 1 A 3 3 ILE CB C 3 39.500 36.730 2.770 1
1 35 . 17 1 1 A 3 3 ILE N N 3 122.100 116.300 5.800 1
1 36 . 17 1 1 A 4 4 THR H H 4 8.130 7.974 0.156 1
1 37 . 17 1 1 A 4 4 THR HA H 4 4.540 5.151 -0.611 1
1 42 . 17 1 1 A 4 4 THR C C 4 173.000 173.325 -0.325 1
1 43 . 17 1 1 A 4 4 THR CA C 4 59.700 60.138 -0.438 1
1 44 . 17 1 1 A 4 4 THR CB C 4 71.400 71.949 -0.549 1
1 46 . 17 1 1 A 4 4 THR N N 4 116.800 113.951 2.849 1
1 47 . 17 1 1 A 5 5 CYS H H 5 8.700 7.982 0.718 1
1 48 . 17 1 1 A 5 5 CYS HA H 5 3.960 4.373 -0.413 1
1 51 . 17 1 1 A 5 5 CYS CA C 5 56.800 57.050 -0.250 1
1 52 . 17 1 1 A 5 5 CYS CB C 5 32.000 27.813 4.187 1
1 53 . 17 1 1 A 5 5 CYS N N 5 125.600 123.748 1.852 1
1 54 . 17 1 1 A 6 6 PRO HA H 6 4.260 4.217 0.043 1
1 61 . 17 1 1 A 6 6 PRO C C 6 176.000 177.018 -1.018 1
1 62 . 17 1 1 A 6 6 PRO CA C 6 63.900 64.385 -0.485 1
1 63 . 17 1 1 A 6 6 PRO CB C 6 32.100 31.882 0.218 1
1 66 . 17 1 1 A 7 7 VAL H H 7 9.210 7.980 1.230 1
1 67 . 17 1 1 A 7 7 VAL HA H 7 3.820 4.413 -0.593 1
1 75 . 17 1 1 A 7 7 VAL CA C 7 64.900 60.668 4.232 1
1 76 . 17 1 1 A 7 7 VAL CB C 7 32.200 32.487 -0.287 1
1 79 . 17 1 1 A 7 7 VAL N N 7 122.500 113.671 8.829 1
1 80 . 17 1 1 A 8 8 CYS HA H 8 4.560 4.829 -0.269 1
1 83 . 17 1 1 A 8 8 CYS C C 8 176.800 173.190 3.610 1
1 84 . 17 1 1 A 8 8 CYS CA C 8 58.900 57.820 1.080 1
1 85 . 17 1 1 A 8 8 CYS CB C 8 32.000 28.318 3.682 1
1 86 . 17 1 1 A 9 9 HIS H H 9 7.550 8.596 -1.046 1
1 87 . 17 1 1 A 9 9 HIS HA H 9 4.470 4.852 -0.382 1
1 91 . 17 1 1 A 9 9 HIS CA C 9 56.900 56.061 0.839 1
1 92 . 17 1 1 A 9 9 HIS CB C 9 25.900 29.569 -3.669 1
1 94 . 17 1 1 A 9 9 HIS N N 9 115.000 123.536 -8.536 1
1 95 . 17 1 1 A 10 10 HIS HA H 10 4.790 4.728 0.062 1
1 100 . 17 1 1 A 10 10 HIS C C 10 174.700 174.905 -0.205 1
1 101 . 17 1 1 A 10 10 HIS CA C 10 55.700 55.850 -0.150 1
1 102 . 17 1 1 A 10 10 HIS CB C 10 29.800 31.593 -1.793 1
1 105 . 17 1 1 A 11 11 ALA H H 11 8.790 6.598 2.192 1
1 106 . 17 1 1 A 11 11 ALA HA H 11 4.310 4.468 -0.158 1
1 110 . 17 1 1 A 11 11 ALA C C 11 177.800 174.699 3.101 1
1 111 . 17 1 1 A 11 11 ALA CA C 11 53.400 51.398 2.002 1
1 112 . 17 1 1 A 11 11 ALA CB C 11 18.600 22.171 -3.571 1
1 113 . 17 1 1 A 11 11 ALA N N 11 124.500 119.434 5.066 1
1 114 . 17 1 1 A 12 12 LEU H H 12 8.480 8.045 0.435 1
1 115 . 17 1 1 A 12 12 LEU HA H 12 4.640 4.954 -0.314 1
1 125 . 17 1 1 A 12 12 LEU C C 12 176.900 175.227 1.673 1
1 126 . 17 1 1 A 12 12 LEU CA C 12 53.500 53.255 0.245 1
1 127 . 17 1 1 A 12 12 LEU CB C 12 44.100 44.661 -0.561 1
1 131 . 17 1 1 A 12 12 LEU N N 12 121.200 119.254 1.946 1
1 132 . 17 1 1 A 13 13 GLU H H 13 8.600 8.738 -0.138 1
1 133 . 17 1 1 A 13 13 GLU HA H 13 4.590 4.632 -0.042 1
1 138 . 17 1 1 A 13 13 GLU C C 13 175.700 175.663 0.037 1
1 139 . 17 1 1 A 13 13 GLU CA C 13 54.700 55.488 -0.788 1
1 140 . 17 1 1 A 13 13 GLU CB C 13 30.200 30.983 -0.783 1
1 142 . 17 1 1 A 13 13 GLU N N 13 120.300 121.011 -0.711 1
1 143 . 17 1 1 A 14 14 ARG H H 14 9.010 8.828 0.182 1
1 144 . 17 1 1 A 14 14 ARG HA H 14 4.460 5.119 -0.659 1
1 151 . 17 1 1 A 14 14 ARG C C 14 174.900 174.985 -0.085 1
1 152 . 17 1 1 A 14 14 ARG CA C 14 56.400 55.890 0.510 1
1 153 . 17 1 1 A 14 14 ARG CB C 14 31.800 30.041 1.759 1
1 156 . 17 1 1 A 14 14 ARG N N 14 126.500 129.077 -2.577 1
1 157 . 17 1 1 A 15 15 ASN H H 15 8.670 8.947 -0.277 1
1 158 . 17 1 1 A 15 15 ASN HA H 15 4.850 5.095 -0.245 1
1 161 . 17 1 1 A 15 15 ASN C C 15 174.900 175.263 -0.363 1
1 162 . 17 1 1 A 15 15 ASN CA C 15 52.100 51.765 0.335 1
1 163 . 17 1 1 A 15 15 ASN CB C 15 39.200 39.917 -0.717 1
1 164 . 17 1 1 A 15 15 ASN N N 15 125.100 125.654 -0.554 1
1 165 . 17 1 1 A 16 16 GLY H H 16 8.880 9.035 -0.155 1
1 166 . 17 1 1 A 16 16 GLY HA2 H 16 3.570 3.891 -0.321 1
1 167 . 17 1 1 A 16 16 GLY HA3 H 16 4.000 3.897 0.103 1
1 168 . 17 1 1 A 16 16 GLY C C 16 173.700 174.412 -0.712 1
1 169 . 17 1 1 A 16 16 GLY CA C 16 47.200 46.353 0.847 1
1 170 . 17 1 1 A 16 16 GLY N N 16 114.400 113.987 0.413 1
1 171 . 17 1 1 A 17 17 ASP H H 17 8.600 8.591 0.009 1
1 172 . 17 1 1 A 17 17 ASP HA H 17 4.600 4.319 0.281 1
1 175 . 17 1 1 A 17 17 ASP C C 17 174.800 174.791 0.009 1
1 176 . 17 1 1 A 17 17 ASP CA C 17 53.800 55.475 -1.675 1
1 177 . 17 1 1 A 17 17 ASP CB C 17 40.200 40.672 -0.472 1
1 178 . 17 1 1 A 17 17 ASP N N 17 126.400 117.732 8.668 1
1 179 . 17 1 1 A 18 18 THR H H 18 7.710 7.689 0.021 1
1 180 . 17 1 1 A 18 18 THR HA H 18 5.120 4.805 0.315 1
1 185 . 17 1 1 A 18 18 THR C C 18 171.900 172.933 -1.033 1
1 186 . 17 1 1 A 18 18 THR CA C 18 60.400 60.684 -0.284 1
1 187 . 17 1 1 A 18 18 THR CB C 18 72.300 71.457 0.843 1
1 189 . 17 1 1 A 18 18 THR N N 18 112.300 114.020 -1.720 1
1 190 . 17 1 1 A 19 19 ALA H H 19 9.090 8.875 0.215 1
1 191 . 17 1 1 A 19 19 ALA HA H 19 5.250 5.063 0.187 1
1 195 . 17 1 1 A 19 19 ALA C C 19 175.000 175.741 -0.741 1
1 196 . 17 1 1 A 19 19 ALA CA C 19 50.300 50.413 -0.113 1
1 197 . 17 1 1 A 19 19 ALA CB C 19 23.900 20.057 3.843 1
1 198 . 17 1 1 A 19 19 ALA N N 19 123.300 125.609 -2.309 1
1 199 . 17 1 1 A 20 20 HIS H H 20 9.130 9.537 -0.407 1
1 200 . 17 1 1 A 20 20 HIS HA H 20 5.550 5.112 0.438 1
1 205 . 17 1 1 A 20 20 HIS C C 20 173.100 173.717 -0.617 1
1 206 . 17 1 1 A 20 20 HIS CA C 20 54.700 55.144 -0.444 1
1 207 . 17 1 1 A 20 20 HIS CB C 20 31.900 31.457 0.443 1
1 210 . 17 1 1 A 20 20 HIS N N 20 120.000 125.729 -5.729 1
1 211 . 17 1 1 A 21 21 CYS H H 21 8.910 8.709 0.201 1
1 212 . 17 1 1 A 21 21 CYS HA H 21 4.700 4.510 0.190 1
1 215 . 17 1 1 A 21 21 CYS C C 21 176.400 175.728 0.672 1
1 216 . 17 1 1 A 21 21 CYS CA C 21 57.900 58.740 -0.840 1
1 217 . 17 1 1 A 21 21 CYS CB C 21 31.700 28.940 2.760 1
1 218 . 17 1 1 A 21 21 CYS N N 21 129.200 127.737 1.463 1
1 219 . 17 1 1 A 22 22 GLU H H 22 9.030 8.981 0.049 1
1 220 . 17 1 1 A 22 22 GLU HA H 22 4.130 4.008 0.122 1
1 225 . 17 1 1 A 22 22 GLU C C 22 177.400 178.221 -0.821 1
1 226 . 17 1 1 A 22 22 GLU CA C 22 58.200 59.578 -1.378 1
1 227 . 17 1 1 A 22 22 GLU CB C 22 29.500 29.352 0.148 1
1 229 . 17 1 1 A 22 22 GLU N N 22 128.800 127.581 1.219 1
1 230 . 17 1 1 A 23 23 THR H H 23 8.360 8.098 0.262 1
1 231 . 17 1 1 A 23 23 THR HA H 23 3.920 4.282 -0.362 1
1 236 . 17 1 1 A 23 23 THR C C 23 176.500 176.984 -0.484 1
1 237 . 17 1 1 A 23 23 THR CA C 23 66.800 64.033 2.767 1
1 238 . 17 1 1 A 23 23 THR CB C 23 69.100 69.295 -0.195 1
1 240 . 17 1 1 A 23 23 THR N N 23 119.800 115.166 4.634 1
1 241 . 17 1 1 A 24 24 CYS H H 24 9.570 7.703 1.867 1
1 242 . 17 1 1 A 24 24 CYS HA H 24 3.880 4.476 -0.596 1
1 245 . 17 1 1 A 24 24 CYS C C 24 174.900 174.015 0.885 1
1 246 . 17 1 1 A 24 24 CYS CA C 24 62.000 59.426 2.574 1
1 247 . 17 1 1 A 24 24 CYS CB C 24 30.300 28.041 2.259 1
1 248 . 17 1 1 A 24 24 CYS N N 24 123.600 119.930 3.670 1
1 249 . 17 1 1 A 25 25 ALA H H 25 7.720 7.808 -0.088 1
1 250 . 17 1 1 A 25 25 ALA HA H 25 3.820 3.870 -0.050 1
1 254 . 17 1 1 A 25 25 ALA C C 25 175.400 175.787 -0.387 1
1 255 . 17 1 1 A 25 25 ALA CA C 25 52.500 53.386 -0.886 1
1 256 . 17 1 1 A 25 25 ALA CB C 25 16.000 17.878 -1.878 1
1 257 . 17 1 1 A 25 25 ALA N N 25 121.400 122.209 -0.809 1
1 258 . 17 1 1 A 26 26 LYS H H 26 6.910 7.581 -0.671 1
1 259 . 17 1 1 A 26 26 LYS HA H 26 4.450 4.332 0.118 1
1 268 . 17 1 1 A 26 26 LYS CA C 26 54.600 54.971 -0.371 1
1 269 . 17 1 1 A 26 26 LYS CB C 26 37.900 33.468 4.432 1
1 273 . 17 1 1 A 26 26 LYS N N 26 116.100 116.888 -0.788 1
1 274 . 17 1 1 A 27 27 ASP HA H 27 5.610 5.044 0.566 1
1 277 . 17 1 1 A 27 27 ASP C C 27 174.400 174.719 -0.319 1
1 278 . 17 1 1 A 27 27 ASP CA C 27 53.000 52.914 0.086 1
1 279 . 17 1 1 A 27 27 ASP CB C 27 44.200 41.948 2.252 1
1 280 . 17 1 1 A 28 28 PHE H H 28 9.200 9.500 -0.300 1
1 281 . 17 1 1 A 28 28 PHE HA H 28 4.890 5.206 -0.316 1
1 289 . 17 1 1 A 28 28 PHE C C 28 175.500 175.452 0.048 1
1 290 . 17 1 1 A 28 28 PHE CA C 28 56.800 57.180 -0.380 1
1 291 . 17 1 1 A 28 28 PHE CB C 28 42.900 40.640 2.260 1
1 297 . 17 1 1 A 28 28 PHE N N 28 118.100 123.555 -5.455 1
1 298 . 17 1 1 A 29 29 SER H H 29 9.070 8.982 0.088 1
1 299 . 17 1 1 A 29 29 SER HA H 29 4.750 4.772 -0.022 1
1 302 . 17 1 1 A 29 29 SER C C 29 173.400 174.386 -0.986 1
1 303 . 17 1 1 A 29 29 SER CA C 29 58.400 57.932 0.468 1
1 304 . 17 1 1 A 29 29 SER CB C 29 64.100 63.940 0.160 1
1 305 . 17 1 1 A 29 29 SER N N 29 118.400 119.325 -0.925 1
1 306 . 17 1 1 A 30 30 LEU H H 30 8.180 8.734 -0.554 1
1 307 . 17 1 1 A 30 30 LEU HA H 30 5.200 4.994 0.206 1
1 317 . 17 1 1 A 30 30 LEU CA C 30 53.100 53.995 -0.895 1
1 318 . 17 1 1 A 30 30 LEU CB C 30 44.800 42.888 1.912 1
1 322 . 17 1 1 A 30 30 LEU N N 30 122.200 125.544 -3.344 1
1 323 . 17 1 1 A 31 31 GLN HA H 31 4.680 4.696 -0.016 1
1 328 . 17 1 1 A 31 31 GLN C C 31 173.600 174.916 -1.316 1
1 329 . 17 1 1 A 31 31 GLN CA C 31 54.200 54.208 -0.008 1
1 330 . 17 1 1 A 31 31 GLN CB C 31 31.800 31.372 0.428 1
1 332 . 17 1 1 A 32 32 ALA H H 32 8.560 8.390 0.170 1
1 333 . 17 1 1 A 32 32 ALA HA H 32 3.990 3.876 0.114 1
1 337 . 17 1 1 A 32 32 ALA C C 32 175.600 176.822 -1.222 1
1 338 . 17 1 1 A 32 32 ALA CA C 32 50.900 51.198 -0.298 1
1 339 . 17 1 1 A 32 32 ALA CB C 32 20.300 18.675 1.625 1
1 340 . 17 1 1 A 32 32 ALA N N 32 128.100 126.900 1.200 1
1 341 . 17 1 1 A 33 33 LEU H H 33 8.740 9.026 -0.286 1
1 342 . 17 1 1 A 33 33 LEU HA H 33 4.560 4.842 -0.282 1
1 352 . 17 1 1 A 33 33 LEU C C 33 175.400 176.087 -0.687 1
1 353 . 17 1 1 A 33 33 LEU CA C 33 52.700 53.567 -0.867 1
1 354 . 17 1 1 A 33 33 LEU CB C 33 44.200 43.939 0.261 1
1 358 . 17 1 1 A 33 33 LEU N N 33 124.500 123.288 1.212 1
1 359 . 17 1 1 A 34 34 CYS H H 34 8.260 8.496 -0.236 1
1 360 . 17 1 1 A 34 34 CYS HA H 34 4.270 4.825 -0.555 1
1 363 . 17 1 1 A 34 34 CYS CA C 34 56.900 55.593 1.307 1
1 364 . 17 1 1 A 34 34 CYS CB C 34 31.400 29.622 1.778 1
1 365 . 17 1 1 A 34 34 CYS N N 34 123.600 122.056 1.544 1
1 366 . 17 1 1 A 35 35 PRO HA H 35 4.290 4.349 -0.059 1
1 373 . 17 1 1 A 35 35 PRO C C 35 176.100 177.827 -1.727 1
1 374 . 17 1 1 A 35 35 PRO CA C 35 63.700 65.454 -1.754 1
1 375 . 17 1 1 A 35 35 PRO CB C 35 31.600 31.759 -0.159 1
1 378 . 17 1 1 A 36 36 ASP H H 36 8.980 8.654 0.326 1
1 379 . 17 1 1 A 36 36 ASP HA H 36 4.600 4.489 0.111 1
1 382 . 17 1 1 A 36 36 ASP C C 36 176.500 176.115 0.385 1
1 383 . 17 1 1 A 36 36 ASP CA C 36 56.400 55.198 1.202 1
1 384 . 17 1 1 A 36 36 ASP CB C 36 40.100 39.968 0.132 1
1 385 . 17 1 1 A 36 36 ASP N N 36 122.200 114.514 7.686 1
1 386 . 17 1 1 A 37 37 CYS H H 37 7.840 7.857 -0.017 1
1 387 . 17 1 1 A 37 37 CYS HA H 37 5.000 4.723 0.277 1
1 390 . 17 1 1 A 37 37 CYS C C 37 175.400 173.011 2.389 1
1 391 . 17 1 1 A 37 37 CYS CA C 37 58.400 58.168 0.232 1
1 392 . 17 1 1 A 37 37 CYS CB C 37 32.300 28.278 4.022 1
1 393 . 17 1 1 A 37 37 CYS N N 37 116.000 117.746 -1.746 1
1 394 . 17 1 1 A 38 38 ARG H H 38 7.880 8.732 -0.852 1
1 395 . 17 1 1 A 38 38 ARG HA H 38 4.050 4.491 -0.441 1
1 402 . 17 1 1 A 38 38 ARG C C 38 173.700 174.918 -1.218 1
1 403 . 17 1 1 A 38 38 ARG CA C 38 58.100 55.489 2.611 1
1 404 . 17 1 1 A 38 38 ARG CB C 38 27.400 29.074 -1.674 1
1 407 . 17 1 1 A 38 38 ARG N N 38 117.700 127.222 -9.522 1
1 408 . 17 1 1 A 39 39 GLN H H 39 7.720 8.101 -0.381 1
1 409 . 17 1 1 A 39 39 GLN HA H 39 4.710 4.898 -0.188 1
1 414 . 17 1 1 A 39 39 GLN CA C 39 53.900 53.519 0.381 1
1 415 . 17 1 1 A 39 39 GLN CB C 39 28.100 31.601 -3.501 1
1 417 . 17 1 1 A 39 39 GLN N N 39 117.500 120.157 -2.657 1
1 418 . 17 1 1 A 40 40 PRO HA H 40 4.570 4.862 -0.292 1
1 425 . 17 1 1 A 40 40 PRO C C 40 176.600 177.903 -1.303 1
1 426 . 17 1 1 A 40 40 PRO CA C 40 63.700 62.588 1.112 1
1 427 . 17 1 1 A 40 40 PRO CB C 40 31.900 30.794 1.106 1
1 430 . 17 1 1 A 41 41 LEU H H 41 8.170 8.674 -0.504 1
1 431 . 17 1 1 A 41 41 LEU HA H 41 4.460 3.929 0.531 1
1 441 . 17 1 1 A 41 41 LEU C C 41 177.200 177.218 -0.018 1
1 442 . 17 1 1 A 41 41 LEU CA C 41 54.000 57.879 -3.879 1
1 443 . 17 1 1 A 41 41 LEU CB C 41 43.200 42.099 1.101 1
1 447 . 17 1 1 A 41 41 LEU N N 41 124.100 123.624 0.476 1
1 448 . 17 1 1 A 42 42 GLN H H 42 9.240 7.688 1.552 1
1 449 . 17 1 1 A 42 42 GLN HA H 42 4.490 4.542 -0.052 1
1 454 . 17 1 1 A 42 42 GLN C C 42 175.000 174.096 0.904 1
1 455 . 17 1 1 A 42 42 GLN CA C 42 55.300 55.663 -0.363 1
1 456 . 17 1 1 A 42 42 GLN CB C 42 29.600 31.513 -1.913 1
1 458 . 17 1 1 A 42 42 GLN N N 42 122.100 114.333 7.767 1
1 459 . 17 1 1 A 43 43 VAL H H 43 8.600 8.727 -0.127 1
1 460 . 17 1 1 A 43 43 VAL HA H 43 4.260 3.859 0.401 1
1 468 . 17 1 1 A 43 43 VAL C C 43 175.500 175.226 0.274 1
1 469 . 17 1 1 A 43 43 VAL CA C 43 62.100 62.692 -0.592 1
1 470 . 17 1 1 A 43 43 VAL CB C 43 32.000 30.439 1.561 1
1 473 . 17 1 1 A 43 43 VAL N N 43 126.400 127.284 -0.884 1
1 474 . 17 1 1 A 44 44 LEU H H 44 8.940 9.073 -0.133 1
1 475 . 17 1 1 A 44 44 LEU HA H 44 4.510 4.902 -0.392 1
1 485 . 17 1 1 A 44 44 LEU C C 44 175.500 176.143 -0.643 1
1 486 . 17 1 1 A 44 44 LEU CA C 44 53.400 53.800 -0.400 1
1 487 . 17 1 1 A 44 44 LEU CB C 44 42.800 42.184 0.616 1
1 491 . 17 1 1 A 44 44 LEU N N 44 130.200 129.230 0.970 1
1 492 . 17 1 1 A 45 45 LYS H H 45 8.520 8.782 -0.262 1
1 493 . 17 1 1 A 45 45 LYS HA H 45 4.830 4.970 -0.140 1
1 502 . 17 1 1 A 45 45 LYS C C 45 175.600 176.149 -0.549 1
1 503 . 17 1 1 A 45 45 LYS CA C 45 55.700 55.069 0.631 1
1 504 . 17 1 1 A 45 45 LYS CB C 45 33.500 34.252 -0.752 1
1 508 . 17 1 1 A 45 45 LYS N N 45 123.700 123.796 -0.096 1
1 509 . 17 1 1 A 46 46 ALA H H 46 8.220 8.574 -0.354 1
1 510 . 17 1 1 A 46 46 ALA HA H 46 4.540 4.734 -0.194 1
1 514 . 17 1 1 A 46 46 ALA C C 46 176.900 178.555 -1.655 1
1 515 . 17 1 1 A 46 46 ALA CA C 46 51.900 49.946 1.954 1
1 516 . 17 1 1 A 46 46 ALA CB C 46 20.700 20.319 0.381 1
1 517 . 17 1 1 A 46 46 ALA N N 46 126.400 123.572 2.828 1
1 518 . 17 1 1 A 47 47 CYS H H 47 9.200 8.649 0.551 1
1 519 . 17 1 1 A 47 47 CYS HA H 47 4.080 4.277 -0.197 1
1 522 . 17 1 1 A 47 47 CYS C C 47 175.100 176.190 -1.090 1
1 523 . 17 1 1 A 47 47 CYS CA C 47 59.700 62.376 -2.676 1
1 524 . 17 1 1 A 47 47 CYS CB C 47 25.800 28.391 -2.591 1
1 525 . 17 1 1 A 47 47 CYS N N 47 120.400 115.705 4.695 1
1 526 . 17 1 1 A 48 48 GLY H H 48 8.620 7.884 0.736 1
1 527 . 17 1 1 A 48 48 GLY HA2 H 48 3.670 4.040 -0.370 1
1 528 . 17 1 1 A 48 48 GLY HA3 H 48 4.070 4.042 0.028 1
1 529 . 17 1 1 A 48 48 GLY C C 48 173.100 172.952 0.148 1
1 530 . 17 1 1 A 48 48 GLY CA C 48 45.500 45.921 -0.421 1
1 531 . 17 1 1 A 48 48 GLY N N 48 109.000 107.306 1.694 1
1 532 . 17 1 1 A 49 49 ALA H H 49 7.820 7.621 0.199 1
1 533 . 17 1 1 A 49 49 ALA HA H 49 4.620 4.825 -0.205 1
1 537 . 17 1 1 A 49 49 ALA C C 49 176.000 175.572 0.428 1
1 538 . 17 1 1 A 49 49 ALA CA C 49 51.000 51.525 -0.525 1
1 539 . 17 1 1 A 49 49 ALA CB C 49 21.300 22.907 -1.607 1
1 540 . 17 1 1 A 49 49 ALA N N 49 124.000 121.695 2.305 1
1 541 . 17 1 1 A 50 50 VAL H H 50 8.100 8.808 -0.708 1
1 542 . 17 1 1 A 50 50 VAL HA H 50 4.560 4.956 -0.396 1
1 550 . 17 1 1 A 50 50 VAL C C 50 174.300 173.965 0.335 1
1 551 . 17 1 1 A 50 50 VAL CA C 50 61.400 60.143 1.257 1
1 552 . 17 1 1 A 50 50 VAL CB C 50 33.800 34.238 -0.438 1
1 555 . 17 1 1 A 50 50 VAL N N 50 119.600 116.778 2.822 1
1 556 . 17 1 1 A 51 51 ASP H H 51 8.640 9.166 -0.526 1
1 557 . 17 1 1 A 51 51 ASP HA H 51 5.030 5.539 -0.509 1
1 560 . 17 1 1 A 51 51 ASP C C 51 173.000 173.962 -0.962 1
1 561 . 17 1 1 A 51 51 ASP CA C 51 52.000 52.905 -0.905 1
1 562 . 17 1 1 A 51 51 ASP CB C 51 43.900 44.878 -0.978 1
1 563 . 17 1 1 A 51 51 ASP N N 51 124.900 126.401 -1.501 1
1 564 . 17 1 1 A 52 52 TYR H H 52 8.950 8.884 0.066 1
1 565 . 17 1 1 A 52 52 TYR HA H 52 5.150 5.464 -0.314 1
1 572 . 17 1 1 A 52 52 TYR C C 52 174.500 174.414 0.086 1
1 573 . 17 1 1 A 52 52 TYR CA C 52 57.300 56.128 1.172 1
1 574 . 17 1 1 A 52 52 TYR CB C 52 41.200 39.412 1.788 1
1 579 . 17 1 1 A 52 52 TYR N N 52 118.500 124.415 -5.915 1
1 580 . 17 1 1 A 53 53 PHE H H 53 9.250 8.676 0.574 1
1 581 . 17 1 1 A 53 53 PHE HA H 53 5.040 5.222 -0.182 1
1 588 . 17 1 1 A 53 53 PHE C C 53 173.200 174.658 -1.458 1
1 589 . 17 1 1 A 53 53 PHE CA C 53 56.400 56.690 -0.290 1
1 590 . 17 1 1 A 53 53 PHE CB C 53 44.300 42.391 1.909 1
1 595 . 17 1 1 A 53 53 PHE N N 53 123.100 124.796 -1.696 1
1 596 . 17 1 1 A 54 54 CYS H H 54 9.160 8.615 0.545 1
1 597 . 17 1 1 A 54 54 CYS HA H 54 4.690 4.443 0.247 1
1 600 . 17 1 1 A 54 54 CYS C C 54 175.700 173.902 1.798 1
1 601 . 17 1 1 A 54 54 CYS CA C 54 58.200 58.778 -0.578 1
1 602 . 17 1 1 A 54 54 CYS CB C 54 29.600 27.396 2.204 1
1 603 . 17 1 1 A 54 54 CYS N N 54 130.800 125.511 5.289 1
1 604 . 17 1 1 A 55 55 GLN H H 55 9.260 8.629 0.631 1
1 605 . 17 1 1 A 55 55 GLN HA H 55 4.300 4.564 -0.264 1
1 610 . 17 1 1 A 55 55 GLN C C 55 174.400 176.732 -2.332 1
1 611 . 17 1 1 A 55 55 GLN CA C 55 56.900 56.894 0.006 1
1 612 . 17 1 1 A 55 55 GLN CB C 55 28.900 30.491 -1.591 1
1 614 . 17 1 1 A 55 55 GLN N N 55 129.000 124.931 4.069 1
1 615 . 17 1 1 A 56 56 ASN H H 56 9.100 8.264 0.836 1
1 616 . 17 1 1 A 56 56 ASN HA H 56 4.860 4.787 0.073 1
1 619 . 17 1 1 A 56 56 ASN C C 56 174.100 177.739 -3.639 1
1 620 . 17 1 1 A 56 56 ASN CA C 56 52.100 54.630 -2.530 1
1 621 . 17 1 1 A 56 56 ASN CB C 56 39.500 39.236 0.264 1
1 622 . 17 1 1 A 56 56 ASN N N 56 122.300 117.025 5.275 1
1 623 . 17 1 1 A 57 57 GLY H H 57 7.180 7.583 -0.403 1
1 624 . 17 1 1 A 57 57 GLY HA2 H 57 3.450 3.981 -0.531 1
1 625 . 17 1 1 A 57 57 GLY HA3 H 57 4.000 3.987 0.013 1
1 626 . 17 1 1 A 57 57 GLY C C 57 175.800 174.342 1.458 1
1 627 . 17 1 1 A 57 57 GLY CA C 57 45.100 45.925 -0.825 1
1 628 . 17 1 1 A 57 57 GLY N N 57 104.200 106.440 -2.240 1
1 629 . 17 1 1 A 58 58 HIS H H 58 7.380 7.597 -0.217 1
1 630 . 17 1 1 A 58 58 HIS HA H 58 4.620 4.713 -0.093 1
1 633 . 17 1 1 A 58 58 HIS C C 58 174.100 174.390 -0.290 1
1 634 . 17 1 1 A 58 58 HIS CA C 58 59.600 56.852 2.748 1
1 635 . 17 1 1 A 58 58 HIS CB C 58 30.100 31.316 -1.216 1
1 636 . 17 1 1 A 58 58 HIS N N 58 116.000 117.906 -1.906 1
1 637 . 17 1 1 A 59 59 GLY H H 59 7.610 7.194 0.416 1
1 638 . 17 1 1 A 59 59 GLY HA2 H 59 2.930 3.793 -0.863 1
1 639 . 17 1 1 A 59 59 GLY HA3 H 59 3.700 3.810 -0.110 1
1 640 . 17 1 1 A 59 59 GLY C C 59 173.100 172.614 0.486 1
1 641 . 17 1 1 A 59 59 GLY CA C 59 45.500 45.283 0.217 1
1 642 . 17 1 1 A 59 59 GLY N N 59 108.000 104.402 3.598 1
1 643 . 17 1 1 A 60 60 LEU H H 60 8.450 8.313 0.137 1
1 644 . 17 1 1 A 60 60 LEU HA H 60 4.620 3.437 1.183 1
1 654 . 17 1 1 A 60 60 LEU C C 60 176.800 176.329 0.471 1
1 655 . 17 1 1 A 60 60 LEU CA C 60 55.700 54.523 1.177 1
1 656 . 17 1 1 A 60 60 LEU CB C 60 42.200 42.434 -0.234 1
1 660 . 17 1 1 A 60 60 LEU N N 60 124.300 118.491 5.809 1
1 661 . 17 1 1 A 61 61 ILE H H 61 8.740 8.215 0.525 1
1 662 . 17 1 1 A 61 61 ILE HA H 61 4.200 4.515 -0.315 1
1 672 . 17 1 1 A 61 61 ILE C C 61 175.500 175.620 -0.120 1
1 673 . 17 1 1 A 61 61 ILE CA C 61 57.000 59.358 -2.358 1
1 674 . 17 1 1 A 61 61 ILE CB C 61 37.400 41.227 -3.827 1
1 678 . 17 1 1 A 61 61 ILE N N 61 128.500 123.166 5.334 1
1 679 . 17 1 1 A 62 62 SER H H 62 8.490 8.714 -0.224 1
1 680 . 17 1 1 A 62 62 SER HA H 62 4.380 4.391 -0.011 1
1 683 . 17 1 1 A 62 62 SER C C 62 176.500 175.883 0.617 1
1 684 . 17 1 1 A 62 62 SER CA C 62 58.300 58.757 -0.457 1
1 685 . 17 1 1 A 62 62 SER CB C 62 63.500 64.109 -0.609 1
1 686 . 17 1 1 A 62 62 SER N N 62 121.700 122.885 -1.185 1
1 687 . 17 1 1 A 63 63 LYS H H 63 9.040 8.913 0.127 1
1 688 . 17 1 1 A 63 63 LYS HA H 63 3.910 4.157 -0.247 1
1 697 . 17 1 1 A 63 63 LYS C C 63 178.200 178.296 -0.096 1
1 698 . 17 1 1 A 63 63 LYS CA C 63 60.300 59.547 0.753 1
1 699 . 17 1 1 A 63 63 LYS CB C 63 32.000 32.726 -0.726 1
1 703 . 17 1 1 A 63 63 LYS N N 63 126.000 128.354 -2.354 1
1 704 . 17 1 1 A 64 64 LYS H H 64 8.090 8.069 0.021 1
1 705 . 17 1 1 A 64 64 LYS HA H 64 4.190 4.246 -0.056 1
1 714 . 17 1 1 A 64 64 LYS C C 64 177.000 177.401 -0.401 1
1 715 . 17 1 1 A 64 64 LYS CA C 64 58.000 58.797 -0.797 1
1 716 . 17 1 1 A 64 64 LYS CB C 64 32.300 32.427 -0.127 1
1 720 . 17 1 1 A 64 64 LYS N N 64 115.400 117.781 -2.381 1
1 721 . 17 1 1 A 65 65 ARG H H 65 7.960 8.255 -0.295 1
1 722 . 17 1 1 A 65 65 ARG HA H 65 4.280 4.527 -0.247 1
1 729 . 17 1 1 A 65 65 ARG C C 65 176.000 176.712 -0.712 1
1 730 . 17 1 1 A 65 65 ARG CA C 65 55.900 56.242 -0.342 1
1 731 . 17 1 1 A 65 65 ARG CB C 65 32.000 30.632 1.368 1
1 734 . 17 1 1 A 65 65 ARG N N 65 116.600 118.829 -2.229 1
1 735 . 17 1 1 A 66 66 VAL H H 66 6.810 7.447 -0.637 1
1 736 . 17 1 1 A 66 66 VAL HA H 66 2.800 4.011 -1.211 1
1 744 . 17 1 1 A 66 66 VAL C C 66 174.500 175.832 -1.332 1
1 745 . 17 1 1 A 66 66 VAL CA C 66 65.000 62.924 2.076 1
1 746 . 17 1 1 A 66 66 VAL CB C 66 32.000 32.455 -0.455 1
1 749 . 17 1 1 A 66 66 VAL N N 66 119.600 120.831 -1.231 1
1 750 . 17 1 1 A 67 67 ASN H H 67 7.270 8.438 -1.168 1
1 751 . 17 1 1 A 67 67 ASN HA H 67 4.840 4.926 -0.086 1
1 756 . 17 1 1 A 67 67 ASN C C 67 173.200 174.243 -1.043 1
1 757 . 17 1 1 A 67 67 ASN CA C 67 51.200 52.861 -1.661 1
1 758 . 17 1 1 A 67 67 ASN CB C 67 39.100 37.001 2.099 1
1 759 . 17 1 1 A 67 67 ASN N N 67 123.500 126.918 -3.418 1
1 761 . 17 1 1 A 68 68 PHE H H 68 8.180 8.925 -0.745 1
1 762 . 17 1 1 A 68 68 PHE HA H 68 5.170 5.082 0.088 1
1 770 . 17 1 1 A 68 68 PHE C C 68 175.300 175.367 -0.067 1
1 771 . 17 1 1 A 68 68 PHE CA C 68 58.000 57.687 0.313 1
1 772 . 17 1 1 A 68 68 PHE CB C 68 41.100 38.245 2.855 1
1 778 . 17 1 1 A 68 68 PHE N N 68 123.300 124.337 -1.037 1
1 779 . 17 1 1 A 69 69 VAL H H 69 8.660 8.725 -0.065 1
1 780 . 17 1 1 A 69 69 VAL HA H 69 4.520 4.893 -0.373 1
1 788 . 17 1 1 A 69 69 VAL C C 69 175.100 174.694 0.406 1
1 789 . 17 1 1 A 69 69 VAL CA C 69 59.200 59.047 0.153 1
1 790 . 17 1 1 A 69 69 VAL CB C 69 35.100 34.979 0.121 1
1 793 . 17 1 1 A 69 69 VAL N N 69 116.500 117.896 -1.396 1
1 794 . 17 1 1 A 70 70 ILE H H 70 8.480 8.317 0.163 1
1 795 . 17 1 1 A 70 70 ILE HA H 70 4.350 4.789 -0.439 1
1 805 . 17 1 1 A 70 70 ILE C C 70 176.400 175.976 0.424 1
1 806 . 17 1 1 A 70 70 ILE CA C 70 61.300 60.249 1.051 1
1 807 . 17 1 1 A 70 70 ILE CB C 70 38.200 37.085 1.115 1
1 811 . 17 1 1 A 70 70 ILE N N 70 123.100 119.459 3.641 1
1 812 . 17 1 1 A 71 71 SER H H 71 8.770 8.280 0.490 1
1 813 . 17 1 1 A 71 71 SER HA H 71 4.550 4.339 0.211 1
1 816 . 17 1 1 A 71 71 SER C C 71 174.200 172.265 1.935 1
1 817 . 17 1 1 A 71 71 SER CA C 71 57.700 58.194 -0.494 1
1 818 . 17 1 1 A 71 71 SER CB C 71 64.100 63.094 1.006 1
1 819 . 17 1 1 A 71 71 SER N N 71 122.200 118.129 4.071 1
1 820 . 17 1 1 A 72 72 ASP H H 72 8.470 8.391 0.079 1
1 821 . 17 1 1 A 72 72 ASP HA H 72 4.720 4.950 -0.230 1
1 824 . 17 1 1 A 72 72 ASP C C 72 176.100 175.591 0.509 1
1 825 . 17 1 1 A 72 72 ASP CA C 72 54.200 52.586 1.614 1
1 826 . 17 1 1 A 72 72 ASP CB C 72 41.200 44.367 -3.167 1
1 827 . 17 1 1 A 72 72 ASP N N 72 122.700 120.859 1.841 1
1 828 . 17 1 1 A 73 73 GLN H H 73 8.490 8.891 -0.401 1
1 829 . 17 1 1 A 73 73 GLN HA H 73 4.310 3.904 0.406 1
1 834 . 17 1 1 A 73 73 GLN C C 73 176.000 176.230 -0.230 1
1 835 . 17 1 1 A 73 73 GLN CA C 73 56.100 58.669 -2.569 1
1 836 . 17 1 1 A 73 73 GLN CB C 73 29.200 28.641 0.559 1
1 838 . 17 1 1 A 73 73 GLN N N 73 120.300 121.286 -0.986 1
1 839 . 17 1 1 A 74 74 LEU H H 74 8.250 7.783 0.467 1
1 840 . 17 1 1 A 74 74 LEU HA H 74 4.250 4.258 -0.008 1
1 850 . 17 1 1 A 74 74 LEU C C 74 177.100 175.341 1.759 1
1 851 . 17 1 1 A 74 74 LEU CA C 74 55.200 55.787 -0.587 1
1 852 . 17 1 1 A 74 74 LEU CB C 74 42.100 41.555 0.545 1
1 856 . 17 1 1 A 74 74 LEU N N 74 123.000 120.071 2.929 1
1 857 . 17 1 1 A 75 75 GLU H H 75 8.260 8.410 -0.150 1
1 858 . 17 1 1 A 75 75 GLU HA H 75 4.170 4.688 -0.518 1
1 863 . 17 1 1 A 75 75 GLU C C 75 176.200 176.481 -0.281 1
1 864 . 17 1 1 A 75 75 GLU CA C 75 56.300 55.492 0.808 1
1 865 . 17 1 1 A 75 75 GLU CB C 75 29.800 31.116 -1.316 1
1 867 . 17 1 1 A 75 75 GLU N N 75 120.700 122.563 -1.863 1
1 868 . 17 1 1 A 76 76 HIS H H 76 8.480 8.804 -0.324 1
1 869 . 17 1 1 A 76 76 HIS HA H 76 4.610 4.601 0.009 1
1 872 . 17 1 1 A 76 76 HIS C C 76 174.200 174.980 -0.780 1
1 873 . 17 1 1 A 76 76 HIS CA C 76 55.100 56.018 -0.918 1
1 874 . 17 1 1 A 76 76 HIS CB C 76 28.700 29.388 -0.688 1
1 875 . 17 1 1 A 76 76 HIS N N 76 119.100 121.714 -2.614 1
1 876 . 17 1 1 A 77 77 HIS H H 77 8.540 7.899 0.641 1
1 877 . 17 1 1 A 77 77 HIS HA H 77 4.620 4.901 -0.281 1
1 880 . 17 1 1 A 77 77 HIS C C 77 174.100 174.385 -0.285 1
1 881 . 17 1 1 A 77 77 HIS CA C 77 55.300 54.801 0.499 1
1 882 . 17 1 1 A 77 77 HIS CB C 77 28.900 30.804 -1.904 1
1 883 . 17 1 1 A 77 77 HIS N N 77 118.700 120.370 -1.670 1
1 884 . 17 1 1 A 78 78 HIS H H 78 8.630 8.708 -0.078 1
1 885 . 17 1 1 A 78 78 HIS HA H 78 4.660 4.444 0.216 1
1 888 . 17 1 1 A 78 78 HIS C C 78 174.100 175.280 -1.180 1
1 889 . 17 1 1 A 78 78 HIS CA C 78 55.200 57.246 -2.046 1
1 890 . 17 1 1 A 78 78 HIS CB C 78 29.100 30.288 -1.188 1
1 891 . 17 1 1 A 78 78 HIS N N 78 119.500 125.141 -5.641 1
1 892 . 17 1 1 A 79 79 HIS H H 79 8.690 8.949 -0.259 1
1 893 . 17 1 1 A 79 79 HIS HA H 79 4.660 4.777 -0.117 1
1 896 . 17 1 1 A 79 79 HIS C C 79 173.900 173.965 -0.065 1
1 897 . 17 1 1 A 79 79 HIS CA C 79 55.200 54.524 0.676 1
1 898 . 17 1 1 A 79 79 HIS CB C 79 29.100 28.451 0.649 1
1 899 . 17 1 1 A 79 79 HIS N N 79 120.400 123.624 -3.224 1
1 900 . 17 1 1 A 80 80 HIS H H 80 8.590 8.203 0.387 1
1 901 . 17 1 1 A 80 80 HIS HA H 80 4.630 4.932 -0.302 1
1 904 . 17 1 1 A 80 80 HIS C C 80 173.400 172.756 0.644 1
1 905 . 17 1 1 A 80 80 HIS CA C 80 55.400 55.451 -0.051 1
1 906 . 17 1 1 A 80 80 HIS CB C 80 29.300 33.613 -4.313 1
1 907 . 17 1 1 A 80 80 HIS N N 80 120.600 125.078 -4.478 1
1 7 . 18 1 1 A 2 2 GLU H H 2 8.850 9.207 -0.357 1
1 8 . 18 1 1 A 2 2 GLU HA H 2 4.450 4.912 -0.462 1
1 13 . 18 1 1 A 2 2 GLU C C 2 175.400 176.302 -0.902 1
1 14 . 18 1 1 A 2 2 GLU CA C 2 55.900 54.677 1.223 1
1 15 . 18 1 1 A 2 2 GLU CB C 2 30.300 33.041 -2.741 1
1 17 . 18 1 1 A 2 2 GLU N N 2 123.600 126.132 -2.532 1
1 18 . 18 1 1 A 3 3 ILE H H 3 8.590 8.629 -0.039 1
1 19 . 18 1 1 A 3 3 ILE HA H 3 4.310 4.429 -0.119 1
1 29 . 18 1 1 A 3 3 ILE C C 3 175.100 175.304 -0.204 1
1 30 . 18 1 1 A 3 3 ILE CA C 3 60.700 60.760 -0.060 1
1 31 . 18 1 1 A 3 3 ILE CB C 3 39.500 38.386 1.114 1
1 35 . 18 1 1 A 3 3 ILE N N 3 122.100 121.500 0.600 1
1 36 . 18 1 1 A 4 4 THR H H 4 8.130 9.048 -0.918 1
1 37 . 18 1 1 A 4 4 THR HA H 4 4.540 4.947 -0.407 1
1 42 . 18 1 1 A 4 4 THR C C 4 173.000 173.766 -0.766 1
1 43 . 18 1 1 A 4 4 THR CA C 4 59.700 61.312 -1.612 1
1 44 . 18 1 1 A 4 4 THR CB C 4 71.400 71.272 0.128 1
1 46 . 18 1 1 A 4 4 THR N N 4 116.800 122.311 -5.511 1
1 47 . 18 1 1 A 5 5 CYS H H 5 8.700 9.313 -0.613 1
1 48 . 18 1 1 A 5 5 CYS HA H 5 3.960 4.719 -0.759 1
1 51 . 18 1 1 A 5 5 CYS CA C 5 56.800 57.707 -0.907 1
1 52 . 18 1 1 A 5 5 CYS CB C 5 32.000 27.142 4.858 1
1 53 . 18 1 1 A 5 5 CYS N N 5 125.600 125.909 -0.309 1
1 54 . 18 1 1 A 6 6 PRO HA H 6 4.260 4.418 -0.158 1
1 61 . 18 1 1 A 6 6 PRO C C 6 176.000 178.720 -2.720 1
1 62 . 18 1 1 A 6 6 PRO CA C 6 63.900 66.055 -2.155 1
1 63 . 18 1 1 A 6 6 PRO CB C 6 32.100 31.413 0.687 1
1 66 . 18 1 1 A 7 7 VAL H H 7 9.210 8.280 0.930 1
1 67 . 18 1 1 A 7 7 VAL HA H 7 3.820 3.900 -0.080 1
1 75 . 18 1 1 A 7 7 VAL CA C 7 64.900 64.959 -0.059 1
1 76 . 18 1 1 A 7 7 VAL CB C 7 32.200 31.392 0.808 1
1 79 . 18 1 1 A 7 7 VAL N N 7 122.500 115.354 7.146 1
1 80 . 18 1 1 A 8 8 CYS HA H 8 4.560 4.442 0.118 1
1 83 . 18 1 1 A 8 8 CYS C C 8 176.800 175.200 1.600 1
1 84 . 18 1 1 A 8 8 CYS CA C 8 58.900 58.197 0.703 1
1 85 . 18 1 1 A 8 8 CYS CB C 8 32.000 26.986 5.014 1
1 86 . 18 1 1 A 9 9 HIS H H 9 7.550 7.903 -0.353 1
1 87 . 18 1 1 A 9 9 HIS HA H 9 4.470 4.688 -0.218 1
1 91 . 18 1 1 A 9 9 HIS CA C 9 56.900 56.887 0.013 1
1 92 . 18 1 1 A 9 9 HIS CB C 9 25.900 28.368 -2.468 1
1 94 . 18 1 1 A 9 9 HIS N N 9 115.000 119.765 -4.765 1
1 95 . 18 1 1 A 10 10 HIS HA H 10 4.790 4.515 0.275 1
1 100 . 18 1 1 A 10 10 HIS C C 10 174.700 173.127 1.573 1
1 101 . 18 1 1 A 10 10 HIS CA C 10 55.700 55.653 0.047 1
1 102 . 18 1 1 A 10 10 HIS CB C 10 29.800 31.022 -1.222 1
1 105 . 18 1 1 A 11 11 ALA H H 11 8.790 7.935 0.855 1
1 106 . 18 1 1 A 11 11 ALA HA H 11 4.310 4.267 0.043 1
1 110 . 18 1 1 A 11 11 ALA C C 11 177.800 177.589 0.211 1
1 111 . 18 1 1 A 11 11 ALA CA C 11 53.400 52.605 0.795 1
1 112 . 18 1 1 A 11 11 ALA CB C 11 18.600 19.216 -0.616 1
1 113 . 18 1 1 A 11 11 ALA N N 11 124.500 124.130 0.370 1
1 114 . 18 1 1 A 12 12 LEU H H 12 8.480 9.182 -0.702 1
1 115 . 18 1 1 A 12 12 LEU HA H 12 4.640 4.963 -0.323 1
1 125 . 18 1 1 A 12 12 LEU C C 12 176.900 176.188 0.712 1
1 126 . 18 1 1 A 12 12 LEU CA C 12 53.500 53.532 -0.032 1
1 127 . 18 1 1 A 12 12 LEU CB C 12 44.100 43.999 0.101 1
1 131 . 18 1 1 A 12 12 LEU N N 12 121.200 122.160 -0.960 1
1 132 . 18 1 1 A 13 13 GLU H H 13 8.600 9.134 -0.534 1
1 133 . 18 1 1 A 13 13 GLU HA H 13 4.590 5.131 -0.541 1
1 138 . 18 1 1 A 13 13 GLU C C 13 175.700 174.979 0.721 1
1 139 . 18 1 1 A 13 13 GLU CA C 13 54.700 54.572 0.128 1
1 140 . 18 1 1 A 13 13 GLU CB C 13 30.200 33.422 -3.222 1
1 142 . 18 1 1 A 13 13 GLU N N 13 120.300 122.284 -1.984 1
1 143 . 18 1 1 A 14 14 ARG H H 14 9.010 8.483 0.527 1
1 144 . 18 1 1 A 14 14 ARG HA H 14 4.460 4.791 -0.331 1
1 151 . 18 1 1 A 14 14 ARG C C 14 174.900 175.128 -0.228 1
1 152 . 18 1 1 A 14 14 ARG CA C 14 56.400 55.546 0.854 1
1 153 . 18 1 1 A 14 14 ARG CB C 14 31.800 29.675 2.125 1
1 156 . 18 1 1 A 14 14 ARG N N 14 126.500 128.027 -1.527 1
1 157 . 18 1 1 A 15 15 ASN H H 15 8.670 8.802 -0.132 1
1 158 . 18 1 1 A 15 15 ASN HA H 15 4.850 4.881 -0.031 1
1 161 . 18 1 1 A 15 15 ASN C C 15 174.900 175.656 -0.756 1
1 162 . 18 1 1 A 15 15 ASN CA C 15 52.100 53.092 -0.992 1
1 163 . 18 1 1 A 15 15 ASN CB C 15 39.200 39.319 -0.119 1
1 164 . 18 1 1 A 15 15 ASN N N 15 125.100 126.127 -1.027 1
1 165 . 18 1 1 A 16 16 GLY H H 16 8.880 8.865 0.015 1
1 166 . 18 1 1 A 16 16 GLY HA2 H 16 3.570 3.868 -0.298 1
1 167 . 18 1 1 A 16 16 GLY HA3 H 16 4.000 3.872 0.128 1
1 168 . 18 1 1 A 16 16 GLY C C 16 173.700 174.297 -0.597 1
1 169 . 18 1 1 A 16 16 GLY CA C 16 47.200 47.310 -0.110 1
1 170 . 18 1 1 A 16 16 GLY N N 16 114.400 115.701 -1.301 1
1 171 . 18 1 1 A 17 17 ASP H H 17 8.600 8.685 -0.085 1
1 172 . 18 1 1 A 17 17 ASP HA H 17 4.600 4.751 -0.151 1
1 175 . 18 1 1 A 17 17 ASP C C 17 174.800 174.942 -0.142 1
1 176 . 18 1 1 A 17 17 ASP CA C 17 53.800 53.567 0.233 1
1 177 . 18 1 1 A 17 17 ASP CB C 17 40.200 42.048 -1.848 1
1 178 . 18 1 1 A 17 17 ASP N N 17 126.400 125.928 0.472 1
1 179 . 18 1 1 A 18 18 THR H H 18 7.710 7.768 -0.058 1
1 180 . 18 1 1 A 18 18 THR HA H 18 5.120 4.867 0.253 1
1 185 . 18 1 1 A 18 18 THR C C 18 171.900 173.149 -1.249 1
1 186 . 18 1 1 A 18 18 THR CA C 18 60.400 60.799 -0.399 1
1 187 . 18 1 1 A 18 18 THR CB C 18 72.300 70.921 1.379 1
1 189 . 18 1 1 A 18 18 THR N N 18 112.300 116.500 -4.200 1
1 190 . 18 1 1 A 19 19 ALA H H 19 9.090 8.816 0.274 1
1 191 . 18 1 1 A 19 19 ALA HA H 19 5.250 5.133 0.117 1
1 195 . 18 1 1 A 19 19 ALA C C 19 175.000 175.757 -0.757 1
1 196 . 18 1 1 A 19 19 ALA CA C 19 50.300 50.430 -0.130 1
1 197 . 18 1 1 A 19 19 ALA CB C 19 23.900 20.073 3.827 1
1 198 . 18 1 1 A 19 19 ALA N N 19 123.300 126.565 -3.265 1
1 199 . 18 1 1 A 20 20 HIS H H 20 9.130 9.196 -0.066 1
1 200 . 18 1 1 A 20 20 HIS HA H 20 5.550 5.146 0.404 1
1 205 . 18 1 1 A 20 20 HIS C C 20 173.100 174.432 -1.332 1
1 206 . 18 1 1 A 20 20 HIS CA C 20 54.700 55.009 -0.309 1
1 207 . 18 1 1 A 20 20 HIS CB C 20 31.900 32.479 -0.579 1
1 210 . 18 1 1 A 20 20 HIS N N 20 120.000 125.649 -5.649 1
1 211 . 18 1 1 A 21 21 CYS H H 21 8.910 8.804 0.106 1
1 212 . 18 1 1 A 21 21 CYS HA H 21 4.700 4.432 0.268 1
1 215 . 18 1 1 A 21 21 CYS C C 21 176.400 175.256 1.144 1
1 216 . 18 1 1 A 21 21 CYS CA C 21 57.900 58.992 -1.092 1
1 217 . 18 1 1 A 21 21 CYS CB C 21 31.700 27.327 4.373 1
1 218 . 18 1 1 A 21 21 CYS N N 21 129.200 123.868 5.332 1
1 219 . 18 1 1 A 22 22 GLU H H 22 9.030 8.736 0.294 1
1 220 . 18 1 1 A 22 22 GLU HA H 22 4.130 4.129 0.001 1
1 225 . 18 1 1 A 22 22 GLU C C 22 177.400 177.613 -0.213 1
1 226 . 18 1 1 A 22 22 GLU CA C 22 58.200 59.545 -1.345 1
1 227 . 18 1 1 A 22 22 GLU CB C 22 29.500 29.627 -0.127 1
1 229 . 18 1 1 A 22 22 GLU N N 22 128.800 125.123 3.677 1
1 230 . 18 1 1 A 23 23 THR H H 23 8.360 7.578 0.782 1
1 231 . 18 1 1 A 23 23 THR HA H 23 3.920 4.518 -0.598 1
1 236 . 18 1 1 A 23 23 THR C C 23 176.500 173.329 3.171 1
1 237 . 18 1 1 A 23 23 THR CA C 23 66.800 61.947 4.853 1
1 238 . 18 1 1 A 23 23 THR CB C 23 69.100 69.313 -0.213 1
1 240 . 18 1 1 A 23 23 THR N N 23 119.800 105.904 13.896 1
1 241 . 18 1 1 A 24 24 CYS H H 24 9.570 7.227 2.343 1
1 242 . 18 1 1 A 24 24 CYS HA H 24 3.880 4.775 -0.895 1
1 245 . 18 1 1 A 24 24 CYS C C 24 174.900 173.392 1.508 1
1 246 . 18 1 1 A 24 24 CYS CA C 24 62.000 57.984 4.016 1
1 247 . 18 1 1 A 24 24 CYS CB C 24 30.300 31.685 -1.385 1
1 248 . 18 1 1 A 24 24 CYS N N 24 123.600 119.353 4.247 1
1 249 . 18 1 1 A 25 25 ALA H H 25 7.720 8.471 -0.751 1
1 250 . 18 1 1 A 25 25 ALA HA H 25 3.820 4.415 -0.595 1
1 254 . 18 1 1 A 25 25 ALA C C 25 175.400 175.809 -0.409 1
1 255 . 18 1 1 A 25 25 ALA CA C 25 52.500 51.947 0.553 1
1 256 . 18 1 1 A 25 25 ALA CB C 25 16.000 17.545 -1.545 1
1 257 . 18 1 1 A 25 25 ALA N N 25 121.400 125.329 -3.929 1
1 258 . 18 1 1 A 26 26 LYS H H 26 6.910 7.511 -0.601 1
1 259 . 18 1 1 A 26 26 LYS HA H 26 4.450 4.765 -0.315 1
1 268 . 18 1 1 A 26 26 LYS CA C 26 54.600 54.517 0.083 1
1 269 . 18 1 1 A 26 26 LYS CB C 26 37.900 36.343 1.557 1
1 273 . 18 1 1 A 26 26 LYS N N 26 116.100 115.995 0.105 1
1 274 . 18 1 1 A 27 27 ASP HA H 27 5.610 5.506 0.104 1
1 277 . 18 1 1 A 27 27 ASP C C 27 174.400 174.041 0.359 1
1 278 . 18 1 1 A 27 27 ASP CA C 27 53.000 52.222 0.778 1
1 279 . 18 1 1 A 27 27 ASP CB C 27 44.200 44.683 -0.483 1
1 280 . 18 1 1 A 28 28 PHE H H 28 9.200 9.408 -0.208 1
1 281 . 18 1 1 A 28 28 PHE HA H 28 4.890 5.125 -0.235 1
1 289 . 18 1 1 A 28 28 PHE C C 28 175.500 175.606 -0.106 1
1 290 . 18 1 1 A 28 28 PHE CA C 28 56.800 56.361 0.439 1
1 291 . 18 1 1 A 28 28 PHE CB C 28 42.900 42.312 0.588 1
1 297 . 18 1 1 A 28 28 PHE N N 28 118.100 121.331 -3.231 1
1 298 . 18 1 1 A 29 29 SER H H 29 9.070 8.837 0.233 1
1 299 . 18 1 1 A 29 29 SER HA H 29 4.750 4.940 -0.190 1
1 302 . 18 1 1 A 29 29 SER C C 29 173.400 174.283 -0.883 1
1 303 . 18 1 1 A 29 29 SER CA C 29 58.400 57.279 1.121 1
1 304 . 18 1 1 A 29 29 SER CB C 29 64.100 64.380 -0.280 1
1 305 . 18 1 1 A 29 29 SER N N 29 118.400 115.946 2.454 1
1 306 . 18 1 1 A 30 30 LEU H H 30 8.180 9.073 -0.893 1
1 307 . 18 1 1 A 30 30 LEU HA H 30 5.200 5.096 0.104 1
1 317 . 18 1 1 A 30 30 LEU CA C 30 53.100 53.649 -0.549 1
1 318 . 18 1 1 A 30 30 LEU CB C 30 44.800 44.191 0.609 1
1 322 . 18 1 1 A 30 30 LEU N N 30 122.200 126.060 -3.860 1
1 323 . 18 1 1 A 31 31 GLN HA H 31 4.680 4.363 0.317 1
1 328 . 18 1 1 A 31 31 GLN C C 31 173.600 174.565 -0.965 1
1 329 . 18 1 1 A 31 31 GLN CA C 31 54.200 53.660 0.540 1
1 330 . 18 1 1 A 31 31 GLN CB C 31 31.800 30.761 1.039 1
1 332 . 18 1 1 A 32 32 ALA H H 32 8.560 8.301 0.259 1
1 333 . 18 1 1 A 32 32 ALA HA H 32 3.990 3.807 0.183 1
1 337 . 18 1 1 A 32 32 ALA C C 32 175.600 176.331 -0.731 1
1 338 . 18 1 1 A 32 32 ALA CA C 32 50.900 51.443 -0.543 1
1 339 . 18 1 1 A 32 32 ALA CB C 32 20.300 17.650 2.650 1
1 340 . 18 1 1 A 32 32 ALA N N 32 128.100 127.816 0.284 1
1 341 . 18 1 1 A 33 33 LEU H H 33 8.740 8.574 0.166 1
1 342 . 18 1 1 A 33 33 LEU HA H 33 4.560 4.478 0.082 1
1 352 . 18 1 1 A 33 33 LEU C C 33 175.400 175.710 -0.310 1
1 353 . 18 1 1 A 33 33 LEU CA C 33 52.700 54.130 -1.430 1
1 354 . 18 1 1 A 33 33 LEU CB C 33 44.200 43.723 0.477 1
1 358 . 18 1 1 A 33 33 LEU N N 33 124.500 125.196 -0.696 1
1 359 . 18 1 1 A 34 34 CYS H H 34 8.260 8.488 -0.228 1
1 360 . 18 1 1 A 34 34 CYS HA H 34 4.270 4.813 -0.543 1
1 363 . 18 1 1 A 34 34 CYS CA C 34 56.900 57.212 -0.312 1
1 364 . 18 1 1 A 34 34 CYS CB C 34 31.400 27.857 3.543 1
1 365 . 18 1 1 A 34 34 CYS N N 34 123.600 123.787 -0.187 1
1 366 . 18 1 1 A 35 35 PRO HA H 35 4.290 4.350 -0.060 1
1 373 . 18 1 1 A 35 35 PRO C C 35 176.100 178.001 -1.901 1
1 374 . 18 1 1 A 35 35 PRO CA C 35 63.700 64.681 -0.981 1
1 375 . 18 1 1 A 35 35 PRO CB C 35 31.600 32.146 -0.546 1
1 378 . 18 1 1 A 36 36 ASP H H 36 8.980 8.184 0.796 1
1 379 . 18 1 1 A 36 36 ASP HA H 36 4.600 4.464 0.136 1
1 382 . 18 1 1 A 36 36 ASP C C 36 176.500 178.346 -1.846 1
1 383 . 18 1 1 A 36 36 ASP CA C 36 56.400 57.097 -0.697 1
1 384 . 18 1 1 A 36 36 ASP CB C 36 40.100 41.189 -1.089 1
1 385 . 18 1 1 A 36 36 ASP N N 36 122.200 117.106 5.094 1
1 386 . 18 1 1 A 37 37 CYS H H 37 7.840 8.106 -0.266 1
1 387 . 18 1 1 A 37 37 CYS HA H 37 5.000 4.145 0.855 1
1 390 . 18 1 1 A 37 37 CYS C C 37 175.400 175.514 -0.114 1
1 391 . 18 1 1 A 37 37 CYS CA C 37 58.400 63.230 -4.830 1
1 392 . 18 1 1 A 37 37 CYS CB C 37 32.300 27.302 4.998 1
1 393 . 18 1 1 A 37 37 CYS N N 37 116.000 117.739 -1.739 1
1 394 . 18 1 1 A 38 38 ARG H H 38 7.880 7.851 0.029 1
1 395 . 18 1 1 A 38 38 ARG HA H 38 4.050 4.352 -0.302 1
1 402 . 18 1 1 A 38 38 ARG C C 38 173.700 175.675 -1.975 1
1 403 . 18 1 1 A 38 38 ARG CA C 38 58.100 58.240 -0.140 1
1 404 . 18 1 1 A 38 38 ARG CB C 38 27.400 29.000 -1.600 1
1 407 . 18 1 1 A 38 38 ARG N N 38 117.700 118.606 -0.906 1
1 408 . 18 1 1 A 39 39 GLN H H 39 7.720 8.714 -0.994 1
1 409 . 18 1 1 A 39 39 GLN HA H 39 4.710 4.338 0.372 1
1 414 . 18 1 1 A 39 39 GLN CA C 39 53.900 57.839 -3.939 1
1 415 . 18 1 1 A 39 39 GLN CB C 39 28.100 27.671 0.429 1
1 417 . 18 1 1 A 39 39 GLN N N 39 117.500 116.945 0.555 1
1 418 . 18 1 1 A 40 40 PRO HA H 40 4.570 4.391 0.179 1
1 425 . 18 1 1 A 40 40 PRO C C 40 176.600 177.187 -0.587 1
1 426 . 18 1 1 A 40 40 PRO CA C 40 63.700 63.363 0.337 1
1 427 . 18 1 1 A 40 40 PRO CB C 40 31.900 31.708 0.192 1
1 430 . 18 1 1 A 41 41 LEU H H 41 8.170 8.182 -0.012 1
1 431 . 18 1 1 A 41 41 LEU HA H 41 4.460 4.214 0.246 1
1 441 . 18 1 1 A 41 41 LEU C C 41 177.200 176.445 0.755 1
1 442 . 18 1 1 A 41 41 LEU CA C 41 54.000 54.183 -0.183 1
1 443 . 18 1 1 A 41 41 LEU CB C 41 43.200 42.402 0.798 1
1 447 . 18 1 1 A 41 41 LEU N N 41 124.100 123.332 0.768 1
1 448 . 18 1 1 A 42 42 GLN H H 42 9.240 8.459 0.781 1
1 449 . 18 1 1 A 42 42 GLN HA H 42 4.490 4.633 -0.143 1
1 454 . 18 1 1 A 42 42 GLN C C 42 175.000 174.938 0.062 1
1 455 . 18 1 1 A 42 42 GLN CA C 42 55.300 55.654 -0.354 1
1 456 . 18 1 1 A 42 42 GLN CB C 42 29.600 29.452 0.148 1
1 458 . 18 1 1 A 42 42 GLN N N 42 122.100 118.830 3.270 1
1 459 . 18 1 1 A 43 43 VAL H H 43 8.600 8.677 -0.077 1
1 460 . 18 1 1 A 43 43 VAL HA H 43 4.260 4.143 0.117 1
1 468 . 18 1 1 A 43 43 VAL C C 43 175.500 175.655 -0.155 1
1 469 . 18 1 1 A 43 43 VAL CA C 43 62.100 62.866 -0.766 1
1 470 . 18 1 1 A 43 43 VAL CB C 43 32.000 30.812 1.188 1
1 473 . 18 1 1 A 43 43 VAL N N 43 126.400 125.647 0.753 1
1 474 . 18 1 1 A 44 44 LEU H H 44 8.940 9.018 -0.078 1
1 475 . 18 1 1 A 44 44 LEU HA H 44 4.510 4.365 0.145 1
1 485 . 18 1 1 A 44 44 LEU C C 44 175.500 176.306 -0.806 1
1 486 . 18 1 1 A 44 44 LEU CA C 44 53.400 54.483 -1.083 1
1 487 . 18 1 1 A 44 44 LEU CB C 44 42.800 42.365 0.435 1
1 491 . 18 1 1 A 44 44 LEU N N 44 130.200 129.166 1.034 1
1 492 . 18 1 1 A 45 45 LYS H H 45 8.520 8.603 -0.083 1
1 493 . 18 1 1 A 45 45 LYS HA H 45 4.830 4.807 0.023 1
1 502 . 18 1 1 A 45 45 LYS C C 45 175.600 176.395 -0.795 1
1 503 . 18 1 1 A 45 45 LYS CA C 45 55.700 54.817 0.883 1
1 504 . 18 1 1 A 45 45 LYS CB C 45 33.500 34.317 -0.817 1
1 508 . 18 1 1 A 45 45 LYS N N 45 123.700 121.649 2.051 1
1 509 . 18 1 1 A 46 46 ALA H H 46 8.220 8.753 -0.533 1
1 510 . 18 1 1 A 46 46 ALA HA H 46 4.540 4.576 -0.036 1
1 514 . 18 1 1 A 46 46 ALA C C 46 176.900 176.389 0.511 1
1 515 . 18 1 1 A 46 46 ALA CA C 46 51.900 51.313 0.587 1
1 516 . 18 1 1 A 46 46 ALA CB C 46 20.700 18.447 2.253 1
1 517 . 18 1 1 A 46 46 ALA N N 46 126.400 125.407 0.993 1
1 518 . 18 1 1 A 47 47 CYS H H 47 9.200 8.144 1.056 1
1 519 . 18 1 1 A 47 47 CYS HA H 47 4.080 4.156 -0.076 1
1 522 . 18 1 1 A 47 47 CYS C C 47 175.100 174.988 0.112 1
1 523 . 18 1 1 A 47 47 CYS CA C 47 59.700 60.521 -0.821 1
1 524 . 18 1 1 A 47 47 CYS CB C 47 25.800 26.322 -0.522 1
1 525 . 18 1 1 A 47 47 CYS N N 47 120.400 115.244 5.156 1
1 526 . 18 1 1 A 48 48 GLY H H 48 8.620 8.329 0.291 1
1 527 . 18 1 1 A 48 48 GLY HA2 H 48 3.670 4.058 -0.388 1
1 528 . 18 1 1 A 48 48 GLY HA3 H 48 4.070 4.059 0.011 1
1 529 . 18 1 1 A 48 48 GLY C C 48 173.100 173.784 -0.684 1
1 530 . 18 1 1 A 48 48 GLY CA C 48 45.500 45.068 0.432 1
1 531 . 18 1 1 A 48 48 GLY N N 48 109.000 105.034 3.966 1
1 532 . 18 1 1 A 49 49 ALA H H 49 7.820 7.637 0.183 1
1 533 . 18 1 1 A 49 49 ALA HA H 49 4.620 4.858 -0.238 1
1 537 . 18 1 1 A 49 49 ALA C C 49 176.000 175.868 0.132 1
1 538 . 18 1 1 A 49 49 ALA CA C 49 51.000 50.982 0.018 1
1 539 . 18 1 1 A 49 49 ALA CB C 49 21.300 22.646 -1.346 1
1 540 . 18 1 1 A 49 49 ALA N N 49 124.000 122.463 1.537 1
1 541 . 18 1 1 A 50 50 VAL H H 50 8.100 8.714 -0.614 1
1 542 . 18 1 1 A 50 50 VAL HA H 50 4.560 5.127 -0.567 1
1 550 . 18 1 1 A 50 50 VAL C C 50 174.300 173.423 0.877 1
1 551 . 18 1 1 A 50 50 VAL CA C 50 61.400 59.012 2.388 1
1 552 . 18 1 1 A 50 50 VAL CB C 50 33.800 35.866 -2.066 1
1 555 . 18 1 1 A 50 50 VAL N N 50 119.600 112.478 7.122 1
1 556 . 18 1 1 A 51 51 ASP H H 51 8.640 8.506 0.134 1
1 557 . 18 1 1 A 51 51 ASP HA H 51 5.030 5.067 -0.037 1
1 560 . 18 1 1 A 51 51 ASP C C 51 173.000 174.253 -1.253 1
1 561 . 18 1 1 A 51 51 ASP CA C 51 52.000 53.302 -1.302 1
1 562 . 18 1 1 A 51 51 ASP CB C 51 43.900 45.086 -1.186 1
1 563 . 18 1 1 A 51 51 ASP N N 51 124.900 121.191 3.709 1
1 564 . 18 1 1 A 52 52 TYR H H 52 8.950 8.721 0.229 1
1 565 . 18 1 1 A 52 52 TYR HA H 52 5.150 5.513 -0.363 1
1 572 . 18 1 1 A 52 52 TYR C C 52 174.500 174.790 -0.290 1
1 573 . 18 1 1 A 52 52 TYR CA C 52 57.300 56.068 1.232 1
1 574 . 18 1 1 A 52 52 TYR CB C 52 41.200 39.826 1.374 1
1 579 . 18 1 1 A 52 52 TYR N N 52 118.500 122.241 -3.741 1
1 580 . 18 1 1 A 53 53 PHE H H 53 9.250 8.501 0.749 1
1 581 . 18 1 1 A 53 53 PHE HA H 53 5.040 5.061 -0.021 1
1 588 . 18 1 1 A 53 53 PHE C C 53 173.200 174.102 -0.902 1
1 589 . 18 1 1 A 53 53 PHE CA C 53 56.400 57.178 -0.778 1
1 590 . 18 1 1 A 53 53 PHE CB C 53 44.300 42.594 1.706 1
1 595 . 18 1 1 A 53 53 PHE N N 53 123.100 123.475 -0.375 1
1 596 . 18 1 1 A 54 54 CYS H H 54 9.160 8.464 0.696 1
1 597 . 18 1 1 A 54 54 CYS HA H 54 4.690 4.476 0.214 1
1 600 . 18 1 1 A 54 54 CYS C C 54 175.700 174.053 1.647 1
1 601 . 18 1 1 A 54 54 CYS CA C 54 58.200 58.452 -0.252 1
1 602 . 18 1 1 A 54 54 CYS CB C 54 29.600 27.475 2.125 1
1 603 . 18 1 1 A 54 54 CYS N N 54 130.800 124.418 6.382 1
1 604 . 18 1 1 A 55 55 GLN H H 55 9.260 8.867 0.393 1
1 605 . 18 1 1 A 55 55 GLN HA H 55 4.300 4.681 -0.381 1
1 610 . 18 1 1 A 55 55 GLN C C 55 174.400 175.960 -1.560 1
1 611 . 18 1 1 A 55 55 GLN CA C 55 56.900 57.138 -0.238 1
1 612 . 18 1 1 A 55 55 GLN CB C 55 28.900 30.685 -1.785 1
1 614 . 18 1 1 A 55 55 GLN N N 55 129.000 125.206 3.794 1
1 615 . 18 1 1 A 56 56 ASN H H 56 9.100 8.411 0.689 1
1 616 . 18 1 1 A 56 56 ASN HA H 56 4.860 5.028 -0.168 1
1 619 . 18 1 1 A 56 56 ASN C C 56 174.100 175.336 -1.236 1
1 620 . 18 1 1 A 56 56 ASN CA C 56 52.100 52.003 0.097 1
1 621 . 18 1 1 A 56 56 ASN CB C 56 39.500 41.521 -2.021 1
1 622 . 18 1 1 A 56 56 ASN N N 56 122.300 116.450 5.850 1
1 623 . 18 1 1 A 57 57 GLY H H 57 7.180 8.700 -1.520 1
1 624 . 18 1 1 A 57 57 GLY HA2 H 57 3.450 3.817 -0.367 1
1 625 . 18 1 1 A 57 57 GLY HA3 H 57 4.000 3.850 0.150 1
1 626 . 18 1 1 A 57 57 GLY C C 57 175.800 173.116 2.684 1
1 627 . 18 1 1 A 57 57 GLY CA C 57 45.100 45.518 -0.418 1
1 628 . 18 1 1 A 57 57 GLY N N 57 104.200 111.084 -6.884 1
1 629 . 18 1 1 A 58 58 HIS H H 58 7.380 8.120 -0.740 1
1 630 . 18 1 1 A 58 58 HIS HA H 58 4.620 4.727 -0.107 1
1 633 . 18 1 1 A 58 58 HIS C C 58 174.100 175.301 -1.201 1
1 634 . 18 1 1 A 58 58 HIS CA C 58 59.600 56.907 2.693 1
1 635 . 18 1 1 A 58 58 HIS CB C 58 30.100 31.466 -1.366 1
1 636 . 18 1 1 A 58 58 HIS N N 58 116.000 117.034 -1.034 1
1 637 . 18 1 1 A 59 59 GLY H H 59 7.610 7.433 0.177 1
1 638 . 18 1 1 A 59 59 GLY HA2 H 59 2.930 3.993 -1.063 1
1 639 . 18 1 1 A 59 59 GLY HA3 H 59 3.700 3.995 -0.295 1
1 640 . 18 1 1 A 59 59 GLY C C 59 173.100 173.040 0.060 1
1 641 . 18 1 1 A 59 59 GLY CA C 59 45.500 45.483 0.017 1
1 642 . 18 1 1 A 59 59 GLY N N 59 108.000 103.726 4.274 1
1 643 . 18 1 1 A 60 60 LEU H H 60 8.450 8.440 0.010 1
1 644 . 18 1 1 A 60 60 LEU HA H 60 4.620 3.941 0.679 1
1 654 . 18 1 1 A 60 60 LEU C C 60 176.800 176.543 0.257 1
1 655 . 18 1 1 A 60 60 LEU CA C 60 55.700 54.747 0.953 1
1 656 . 18 1 1 A 60 60 LEU CB C 60 42.200 42.477 -0.277 1
1 660 . 18 1 1 A 60 60 LEU N N 60 124.300 122.716 1.584 1
1 661 . 18 1 1 A 61 61 ILE H H 61 8.740 7.989 0.751 1
1 662 . 18 1 1 A 61 61 ILE HA H 61 4.200 4.763 -0.563 1
1 672 . 18 1 1 A 61 61 ILE C C 61 175.500 175.396 0.104 1
1 673 . 18 1 1 A 61 61 ILE CA C 61 57.000 59.667 -2.667 1
1 674 . 18 1 1 A 61 61 ILE CB C 61 37.400 40.430 -3.030 1
1 678 . 18 1 1 A 61 61 ILE N N 61 128.500 122.436 6.064 1
1 679 . 18 1 1 A 62 62 SER H H 62 8.490 8.753 -0.263 1
1 680 . 18 1 1 A 62 62 SER HA H 62 4.380 4.606 -0.226 1
1 683 . 18 1 1 A 62 62 SER C C 62 176.500 175.449 1.051 1
1 684 . 18 1 1 A 62 62 SER CA C 62 58.300 59.277 -0.977 1
1 685 . 18 1 1 A 62 62 SER CB C 62 63.500 64.187 -0.687 1
1 686 . 18 1 1 A 62 62 SER N N 62 121.700 122.463 -0.763 1
1 687 . 18 1 1 A 63 63 LYS H H 63 9.040 9.074 -0.034 1
1 688 . 18 1 1 A 63 63 LYS HA H 63 3.910 4.279 -0.369 1
1 697 . 18 1 1 A 63 63 LYS C C 63 178.200 178.134 0.066 1
1 698 . 18 1 1 A 63 63 LYS CA C 63 60.300 58.802 1.498 1
1 699 . 18 1 1 A 63 63 LYS CB C 63 32.000 32.043 -0.043 1
1 703 . 18 1 1 A 63 63 LYS N N 63 126.000 125.212 0.788 1
1 704 . 18 1 1 A 64 64 LYS H H 64 8.090 8.029 0.061 1
1 705 . 18 1 1 A 64 64 LYS HA H 64 4.190 4.230 -0.040 1
1 714 . 18 1 1 A 64 64 LYS C C 64 177.000 177.994 -0.994 1
1 715 . 18 1 1 A 64 64 LYS CA C 64 58.000 58.264 -0.264 1
1 716 . 18 1 1 A 64 64 LYS CB C 64 32.300 32.501 -0.201 1
1 720 . 18 1 1 A 64 64 LYS N N 64 115.400 118.462 -3.062 1
1 721 . 18 1 1 A 65 65 ARG H H 65 7.960 7.793 0.167 1
1 722 . 18 1 1 A 65 65 ARG HA H 65 4.280 4.379 -0.099 1
1 729 . 18 1 1 A 65 65 ARG C C 65 176.000 176.019 -0.019 1
1 730 . 18 1 1 A 65 65 ARG CA C 65 55.900 56.166 -0.266 1
1 731 . 18 1 1 A 65 65 ARG CB C 65 32.000 30.680 1.320 1
1 734 . 18 1 1 A 65 65 ARG N N 65 116.600 116.707 -0.107 1
1 735 . 18 1 1 A 66 66 VAL H H 66 6.810 7.367 -0.557 1
1 736 . 18 1 1 A 66 66 VAL HA H 66 2.800 4.008 -1.208 1
1 744 . 18 1 1 A 66 66 VAL C C 66 174.500 174.637 -0.137 1
1 745 . 18 1 1 A 66 66 VAL CA C 66 65.000 62.139 2.861 1
1 746 . 18 1 1 A 66 66 VAL CB C 66 32.000 32.819 -0.819 1
1 749 . 18 1 1 A 66 66 VAL N N 66 119.600 120.300 -0.700 1
1 750 . 18 1 1 A 67 67 ASN H H 67 7.270 8.779 -1.509 1
1 751 . 18 1 1 A 67 67 ASN HA H 67 4.840 5.189 -0.349 1
1 756 . 18 1 1 A 67 67 ASN C C 67 173.200 173.921 -0.721 1
1 757 . 18 1 1 A 67 67 ASN CA C 67 51.200 51.318 -0.118 1
1 758 . 18 1 1 A 67 67 ASN CB C 67 39.100 39.200 -0.100 1
1 759 . 18 1 1 A 67 67 ASN N N 67 123.500 126.149 -2.649 1
1 761 . 18 1 1 A 68 68 PHE H H 68 8.180 9.147 -0.967 1
1 762 . 18 1 1 A 68 68 PHE HA H 68 5.170 4.746 0.424 1
1 770 . 18 1 1 A 68 68 PHE C C 68 175.300 175.281 0.019 1
1 771 . 18 1 1 A 68 68 PHE CA C 68 58.000 58.040 -0.040 1
1 772 . 18 1 1 A 68 68 PHE CB C 68 41.100 38.281 2.819 1
1 778 . 18 1 1 A 68 68 PHE N N 68 123.300 126.377 -3.077 1
1 779 . 18 1 1 A 69 69 VAL H H 69 8.660 8.748 -0.088 1
1 780 . 18 1 1 A 69 69 VAL HA H 69 4.520 5.014 -0.494 1
1 788 . 18 1 1 A 69 69 VAL C C 69 175.100 174.979 0.121 1
1 789 . 18 1 1 A 69 69 VAL CA C 69 59.200 59.523 -0.323 1
1 790 . 18 1 1 A 69 69 VAL CB C 69 35.100 34.736 0.364 1
1 793 . 18 1 1 A 69 69 VAL N N 69 116.500 118.578 -2.078 1
1 794 . 18 1 1 A 70 70 ILE H H 70 8.480 8.519 -0.039 1
1 795 . 18 1 1 A 70 70 ILE HA H 70 4.350 4.524 -0.174 1
1 805 . 18 1 1 A 70 70 ILE C C 70 176.400 175.422 0.978 1
1 806 . 18 1 1 A 70 70 ILE CA C 70 61.300 60.170 1.130 1
1 807 . 18 1 1 A 70 70 ILE CB C 70 38.200 36.751 1.449 1
1 811 . 18 1 1 A 70 70 ILE N N 70 123.100 123.257 -0.157 1
1 812 . 18 1 1 A 71 71 SER H H 71 8.770 8.703 0.067 1
1 813 . 18 1 1 A 71 71 SER HA H 71 4.550 4.548 0.002 1
1 816 . 18 1 1 A 71 71 SER C C 71 174.200 174.086 0.114 1
1 817 . 18 1 1 A 71 71 SER CA C 71 57.700 59.051 -1.351 1
1 818 . 18 1 1 A 71 71 SER CB C 71 64.100 62.830 1.270 1
1 819 . 18 1 1 A 71 71 SER N N 71 122.200 123.150 -0.950 1
1 820 . 18 1 1 A 72 72 ASP H H 72 8.470 8.864 -0.394 1
1 821 . 18 1 1 A 72 72 ASP HA H 72 4.720 4.534 0.186 1
1 824 . 18 1 1 A 72 72 ASP C C 72 176.100 175.760 0.340 1
1 825 . 18 1 1 A 72 72 ASP CA C 72 54.200 55.349 -1.149 1
1 826 . 18 1 1 A 72 72 ASP CB C 72 41.200 41.461 -0.261 1
1 827 . 18 1 1 A 72 72 ASP N N 72 122.700 124.689 -1.989 1
1 828 . 18 1 1 A 73 73 GLN H H 73 8.490 7.651 0.839 1
1 829 . 18 1 1 A 73 73 GLN HA H 73 4.310 4.778 -0.468 1
1 834 . 18 1 1 A 73 73 GLN C C 73 176.000 173.709 2.291 1
1 835 . 18 1 1 A 73 73 GLN CA C 73 56.100 54.648 1.452 1
1 836 . 18 1 1 A 73 73 GLN CB C 73 29.200 32.585 -3.385 1
1 838 . 18 1 1 A 73 73 GLN N N 73 120.300 117.136 3.164 1
1 839 . 18 1 1 A 74 74 LEU H H 74 8.250 8.940 -0.690 1
1 840 . 18 1 1 A 74 74 LEU HA H 74 4.250 4.825 -0.575 1
1 850 . 18 1 1 A 74 74 LEU C C 74 177.100 176.715 0.385 1
1 851 . 18 1 1 A 74 74 LEU CA C 74 55.200 53.704 1.496 1
1 852 . 18 1 1 A 74 74 LEU CB C 74 42.100 43.589 -1.489 1
1 856 . 18 1 1 A 74 74 LEU N N 74 123.000 125.867 -2.867 1
1 857 . 18 1 1 A 75 75 GLU H H 75 8.260 8.690 -0.430 1
1 858 . 18 1 1 A 75 75 GLU HA H 75 4.170 4.599 -0.429 1
1 863 . 18 1 1 A 75 75 GLU C C 75 176.200 176.553 -0.353 1
1 864 . 18 1 1 A 75 75 GLU CA C 75 56.300 55.561 0.739 1
1 865 . 18 1 1 A 75 75 GLU CB C 75 29.800 30.862 -1.062 1
1 867 . 18 1 1 A 75 75 GLU N N 75 120.700 124.100 -3.400 1
1 868 . 18 1 1 A 76 76 HIS H H 76 8.480 7.986 0.494 1
1 869 . 18 1 1 A 76 76 HIS HA H 76 4.610 4.221 0.389 1
1 872 . 18 1 1 A 76 76 HIS C C 76 174.200 174.232 -0.032 1
1 873 . 18 1 1 A 76 76 HIS CA C 76 55.100 56.662 -1.562 1
1 874 . 18 1 1 A 76 76 HIS CB C 76 28.700 28.280 0.420 1
1 875 . 18 1 1 A 76 76 HIS N N 76 119.100 118.412 0.688 1
1 876 . 18 1 1 A 77 77 HIS H H 77 8.540 8.379 0.161 1
1 877 . 18 1 1 A 77 77 HIS HA H 77 4.620 4.461 0.159 1
1 880 . 18 1 1 A 77 77 HIS C C 77 174.100 175.426 -1.326 1
1 881 . 18 1 1 A 77 77 HIS CA C 77 55.300 55.975 -0.675 1
1 882 . 18 1 1 A 77 77 HIS CB C 77 28.900 30.265 -1.365 1
1 883 . 18 1 1 A 77 77 HIS N N 77 118.700 123.883 -5.183 1
1 884 . 18 1 1 A 78 78 HIS H H 78 8.630 8.567 0.063 1
1 885 . 18 1 1 A 78 78 HIS HA H 78 4.660 4.580 0.080 1
1 888 . 18 1 1 A 78 78 HIS C C 78 174.100 175.090 -0.990 1
1 889 . 18 1 1 A 78 78 HIS CA C 78 55.200 56.745 -1.545 1
1 890 . 18 1 1 A 78 78 HIS CB C 78 29.100 29.687 -0.587 1
1 891 . 18 1 1 A 78 78 HIS N N 78 119.500 119.533 -0.033 1
1 892 . 18 1 1 A 79 79 HIS H H 79 8.690 9.047 -0.357 1
1 893 . 18 1 1 A 79 79 HIS HA H 79 4.660 4.610 0.050 1
1 896 . 18 1 1 A 79 79 HIS C C 79 173.900 175.057 -1.157 1
1 897 . 18 1 1 A 79 79 HIS CA C 79 55.200 55.038 0.162 1
1 898 . 18 1 1 A 79 79 HIS CB C 79 29.100 31.361 -2.261 1
1 899 . 18 1 1 A 79 79 HIS N N 79 120.400 124.175 -3.775 1
1 900 . 18 1 1 A 80 80 HIS H H 80 8.590 8.426 0.164 1
1 901 . 18 1 1 A 80 80 HIS HA H 80 4.630 3.968 0.662 1
1 904 . 18 1 1 A 80 80 HIS C C 80 173.400 174.433 -1.033 1
1 905 . 18 1 1 A 80 80 HIS CA C 80 55.400 59.334 -3.934 1
1 906 . 18 1 1 A 80 80 HIS CB C 80 29.300 28.143 1.157 1
1 907 . 18 1 1 A 80 80 HIS N N 80 120.600 113.537 7.063 1
1 7 . 19 1 1 A 2 2 GLU H H 2 8.850 7.706 1.144 1
1 8 . 19 1 1 A 2 2 GLU HA H 2 4.450 4.586 -0.136 1
1 13 . 19 1 1 A 2 2 GLU C C 2 175.400 174.283 1.117 1
1 14 . 19 1 1 A 2 2 GLU CA C 2 55.900 56.157 -0.257 1
1 15 . 19 1 1 A 2 2 GLU CB C 2 30.300 33.331 -3.031 1
1 17 . 19 1 1 A 2 2 GLU N N 2 123.600 117.795 5.805 1
1 18 . 19 1 1 A 3 3 ILE H H 3 8.590 8.705 -0.115 1
1 19 . 19 1 1 A 3 3 ILE HA H 3 4.310 4.845 -0.535 1
1 29 . 19 1 1 A 3 3 ILE C C 3 175.100 174.684 0.416 1
1 30 . 19 1 1 A 3 3 ILE CA C 3 60.700 60.087 0.613 1
1 31 . 19 1 1 A 3 3 ILE CB C 3 39.500 39.386 0.114 1
1 35 . 19 1 1 A 3 3 ILE N N 3 122.100 120.513 1.587 1
1 36 . 19 1 1 A 4 4 THR H H 4 8.130 8.751 -0.621 1
1 37 . 19 1 1 A 4 4 THR HA H 4 4.540 4.712 -0.172 1
1 42 . 19 1 1 A 4 4 THR C C 4 173.000 172.974 0.026 1
1 43 . 19 1 1 A 4 4 THR CA C 4 59.700 61.039 -1.339 1
1 44 . 19 1 1 A 4 4 THR CB C 4 71.400 72.389 -0.989 1
1 46 . 19 1 1 A 4 4 THR N N 4 116.800 118.989 -2.189 1
1 47 . 19 1 1 A 5 5 CYS H H 5 8.700 8.569 0.131 1
1 48 . 19 1 1 A 5 5 CYS HA H 5 3.960 4.354 -0.394 1
1 51 . 19 1 1 A 5 5 CYS CA C 5 56.800 57.594 -0.794 1
1 52 . 19 1 1 A 5 5 CYS CB C 5 32.000 28.237 3.763 1
1 53 . 19 1 1 A 5 5 CYS N N 5 125.600 124.700 0.900 1
1 54 . 19 1 1 A 6 6 PRO HA H 6 4.260 4.492 -0.232 1
1 61 . 19 1 1 A 6 6 PRO C C 6 176.000 177.029 -1.029 1
1 62 . 19 1 1 A 6 6 PRO CA C 6 63.900 63.987 -0.087 1
1 63 . 19 1 1 A 6 6 PRO CB C 6 32.100 31.261 0.839 1
1 66 . 19 1 1 A 7 7 VAL H H 7 9.210 7.989 1.221 1
1 67 . 19 1 1 A 7 7 VAL HA H 7 3.820 4.579 -0.759 1
1 75 . 19 1 1 A 7 7 VAL CA C 7 64.900 61.089 3.811 1
1 76 . 19 1 1 A 7 7 VAL CB C 7 32.200 33.670 -1.470 1
1 79 . 19 1 1 A 7 7 VAL N N 7 122.500 114.557 7.943 1
1 80 . 19 1 1 A 8 8 CYS HA H 8 4.560 4.910 -0.350 1
1 83 . 19 1 1 A 8 8 CYS C C 8 176.800 173.998 2.802 1
1 84 . 19 1 1 A 8 8 CYS CA C 8 58.900 57.962 0.938 1
1 85 . 19 1 1 A 8 8 CYS CB C 8 32.000 28.499 3.501 1
1 86 . 19 1 1 A 9 9 HIS H H 9 7.550 9.205 -1.655 1
1 87 . 19 1 1 A 9 9 HIS HA H 9 4.470 4.653 -0.183 1
1 91 . 19 1 1 A 9 9 HIS CA C 9 56.900 55.771 1.129 1
1 92 . 19 1 1 A 9 9 HIS CB C 9 25.900 29.324 -3.424 1
1 94 . 19 1 1 A 9 9 HIS N N 9 115.000 126.559 -11.559 1
1 95 . 19 1 1 A 10 10 HIS HA H 10 4.790 4.536 0.254 1
1 100 . 19 1 1 A 10 10 HIS C C 10 174.700 174.870 -0.170 1
1 101 . 19 1 1 A 10 10 HIS CA C 10 55.700 56.925 -1.225 1
1 102 . 19 1 1 A 10 10 HIS CB C 10 29.800 31.750 -1.950 1
1 105 . 19 1 1 A 11 11 ALA H H 11 8.790 7.650 1.140 1
1 106 . 19 1 1 A 11 11 ALA HA H 11 4.310 4.402 -0.092 1
1 110 . 19 1 1 A 11 11 ALA C C 11 177.800 174.872 2.928 1
1 111 . 19 1 1 A 11 11 ALA CA C 11 53.400 51.657 1.743 1
1 112 . 19 1 1 A 11 11 ALA CB C 11 18.600 22.312 -3.712 1
1 113 . 19 1 1 A 11 11 ALA N N 11 124.500 116.214 8.286 1
1 114 . 19 1 1 A 12 12 LEU H H 12 8.480 8.339 0.141 1
1 115 . 19 1 1 A 12 12 LEU HA H 12 4.640 5.064 -0.424 1
1 125 . 19 1 1 A 12 12 LEU C C 12 176.900 176.333 0.567 1
1 126 . 19 1 1 A 12 12 LEU CA C 12 53.500 53.081 0.419 1
1 127 . 19 1 1 A 12 12 LEU CB C 12 44.100 44.645 -0.545 1
1 131 . 19 1 1 A 12 12 LEU N N 12 121.200 118.316 2.884 1
1 132 . 19 1 1 A 13 13 GLU H H 13 8.600 9.025 -0.425 1
1 133 . 19 1 1 A 13 13 GLU HA H 13 4.590 4.550 0.040 1
1 138 . 19 1 1 A 13 13 GLU C C 13 175.700 176.521 -0.821 1
1 139 . 19 1 1 A 13 13 GLU CA C 13 54.700 56.700 -2.000 1
1 140 . 19 1 1 A 13 13 GLU CB C 13 30.200 30.125 0.075 1
1 142 . 19 1 1 A 13 13 GLU N N 13 120.300 125.032 -4.732 1
1 143 . 19 1 1 A 14 14 ARG H H 14 9.010 8.672 0.338 1
1 144 . 19 1 1 A 14 14 ARG HA H 14 4.460 4.587 -0.127 1
1 151 . 19 1 1 A 14 14 ARG C C 14 174.900 176.576 -1.676 1
1 152 . 19 1 1 A 14 14 ARG CA C 14 56.400 55.758 0.642 1
1 153 . 19 1 1 A 14 14 ARG CB C 14 31.800 30.572 1.228 1
1 156 . 19 1 1 A 14 14 ARG N N 14 126.500 125.590 0.910 1
1 157 . 19 1 1 A 15 15 ASN H H 15 8.670 9.341 -0.671 1
1 158 . 19 1 1 A 15 15 ASN HA H 15 4.850 4.871 -0.021 1
1 161 . 19 1 1 A 15 15 ASN C C 15 174.900 175.687 -0.787 1
1 162 . 19 1 1 A 15 15 ASN CA C 15 52.100 53.149 -1.049 1
1 163 . 19 1 1 A 15 15 ASN CB C 15 39.200 39.020 0.180 1
1 164 . 19 1 1 A 15 15 ASN N N 15 125.100 121.066 4.034 1
1 165 . 19 1 1 A 16 16 GLY H H 16 8.880 8.025 0.855 1
1 166 . 19 1 1 A 16 16 GLY HA2 H 16 3.570 3.948 -0.378 1
1 167 . 19 1 1 A 16 16 GLY HA3 H 16 4.000 3.972 0.028 1
1 168 . 19 1 1 A 16 16 GLY C C 16 173.700 174.205 -0.505 1
1 169 . 19 1 1 A 16 16 GLY CA C 16 47.200 45.546 1.654 1
1 170 . 19 1 1 A 16 16 GLY N N 16 114.400 107.570 6.830 1
1 171 . 19 1 1 A 17 17 ASP H H 17 8.600 7.902 0.698 1
1 172 . 19 1 1 A 17 17 ASP HA H 17 4.600 4.663 -0.063 1
1 175 . 19 1 1 A 17 17 ASP C C 17 174.800 175.147 -0.347 1
1 176 . 19 1 1 A 17 17 ASP CA C 17 53.800 55.885 -2.085 1
1 177 . 19 1 1 A 17 17 ASP CB C 17 40.200 42.623 -2.423 1
1 178 . 19 1 1 A 17 17 ASP N N 17 126.400 121.228 5.172 1
1 179 . 19 1 1 A 18 18 THR H H 18 7.710 7.817 -0.107 1
1 180 . 19 1 1 A 18 18 THR HA H 18 5.120 5.155 -0.035 1
1 185 . 19 1 1 A 18 18 THR C C 18 171.900 173.436 -1.536 1
1 186 . 19 1 1 A 18 18 THR CA C 18 60.400 61.328 -0.928 1
1 187 . 19 1 1 A 18 18 THR CB C 18 72.300 72.150 0.150 1
1 189 . 19 1 1 A 18 18 THR N N 18 112.300 111.333 0.967 1
1 190 . 19 1 1 A 19 19 ALA H H 19 9.090 9.089 0.001 1
1 191 . 19 1 1 A 19 19 ALA HA H 19 5.250 5.705 -0.455 1
1 195 . 19 1 1 A 19 19 ALA C C 19 175.000 175.372 -0.372 1
1 196 . 19 1 1 A 19 19 ALA CA C 19 50.300 50.149 0.151 1
1 197 . 19 1 1 A 19 19 ALA CB C 19 23.900 22.455 1.445 1
1 198 . 19 1 1 A 19 19 ALA N N 19 123.300 125.104 -1.804 1
1 199 . 19 1 1 A 20 20 HIS H H 20 9.130 9.172 -0.042 1
1 200 . 19 1 1 A 20 20 HIS HA H 20 5.550 5.308 0.242 1
1 205 . 19 1 1 A 20 20 HIS C C 20 173.100 172.758 0.342 1
1 206 . 19 1 1 A 20 20 HIS CA C 20 54.700 54.338 0.362 1
1 207 . 19 1 1 A 20 20 HIS CB C 20 31.900 33.263 -1.363 1
1 210 . 19 1 1 A 20 20 HIS N N 20 120.000 122.867 -2.867 1
1 211 . 19 1 1 A 21 21 CYS H H 21 8.910 8.184 0.726 1
1 212 . 19 1 1 A 21 21 CYS HA H 21 4.700 4.696 0.004 1
1 215 . 19 1 1 A 21 21 CYS C C 21 176.400 176.024 0.376 1
1 216 . 19 1 1 A 21 21 CYS CA C 21 57.900 57.424 0.476 1
1 217 . 19 1 1 A 21 21 CYS CB C 21 31.700 30.025 1.675 1
1 218 . 19 1 1 A 21 21 CYS N N 21 129.200 126.671 2.529 1
1 219 . 19 1 1 A 22 22 GLU H H 22 9.030 9.340 -0.310 1
1 220 . 19 1 1 A 22 22 GLU HA H 22 4.130 4.233 -0.103 1
1 225 . 19 1 1 A 22 22 GLU C C 22 177.400 178.300 -0.900 1
1 226 . 19 1 1 A 22 22 GLU CA C 22 58.200 58.898 -0.698 1
1 227 . 19 1 1 A 22 22 GLU CB C 22 29.500 29.559 -0.059 1
1 229 . 19 1 1 A 22 22 GLU N N 22 128.800 128.052 0.748 1
1 230 . 19 1 1 A 23 23 THR H H 23 8.360 7.557 0.803 1
1 231 . 19 1 1 A 23 23 THR HA H 23 3.920 4.238 -0.318 1
1 236 . 19 1 1 A 23 23 THR C C 23 176.500 174.376 2.124 1
1 237 . 19 1 1 A 23 23 THR CA C 23 66.800 63.372 3.428 1
1 238 . 19 1 1 A 23 23 THR CB C 23 69.100 69.184 -0.084 1
1 240 . 19 1 1 A 23 23 THR N N 23 119.800 109.166 10.634 1
1 241 . 19 1 1 A 24 24 CYS H H 24 9.570 7.786 1.784 1
1 242 . 19 1 1 A 24 24 CYS HA H 24 3.880 4.858 -0.978 1
1 245 . 19 1 1 A 24 24 CYS C C 24 174.900 174.879 0.021 1
1 246 . 19 1 1 A 24 24 CYS CA C 24 62.000 57.137 4.863 1
1 247 . 19 1 1 A 24 24 CYS CB C 24 30.300 29.323 0.977 1
1 248 . 19 1 1 A 24 24 CYS N N 24 123.600 118.651 4.949 1
1 249 . 19 1 1 A 25 25 ALA H H 25 7.720 8.492 -0.772 1
1 250 . 19 1 1 A 25 25 ALA HA H 25 3.820 4.293 -0.473 1
1 254 . 19 1 1 A 25 25 ALA C C 25 175.400 176.686 -1.286 1
1 255 . 19 1 1 A 25 25 ALA CA C 25 52.500 52.191 0.309 1
1 256 . 19 1 1 A 25 25 ALA CB C 25 16.000 18.846 -2.846 1
1 257 . 19 1 1 A 25 25 ALA N N 25 121.400 124.321 -2.921 1
1 258 . 19 1 1 A 26 26 LYS H H 26 6.910 7.393 -0.483 1
1 259 . 19 1 1 A 26 26 LYS HA H 26 4.450 4.524 -0.074 1
1 268 . 19 1 1 A 26 26 LYS CA C 26 54.600 54.952 -0.352 1
1 269 . 19 1 1 A 26 26 LYS CB C 26 37.900 33.837 4.063 1
1 273 . 19 1 1 A 26 26 LYS N N 26 116.100 120.331 -4.231 1
1 274 . 19 1 1 A 27 27 ASP HA H 27 5.610 5.487 0.123 1
1 277 . 19 1 1 A 27 27 ASP C C 27 174.400 175.006 -0.606 1
1 278 . 19 1 1 A 27 27 ASP CA C 27 53.000 52.613 0.387 1
1 279 . 19 1 1 A 27 27 ASP CB C 27 44.200 42.738 1.462 1
1 280 . 19 1 1 A 28 28 PHE H H 28 9.200 9.387 -0.187 1
1 281 . 19 1 1 A 28 28 PHE HA H 28 4.890 5.119 -0.229 1
1 289 . 19 1 1 A 28 28 PHE C C 28 175.500 175.172 0.328 1
1 290 . 19 1 1 A 28 28 PHE CA C 28 56.800 57.040 -0.240 1
1 291 . 19 1 1 A 28 28 PHE CB C 28 42.900 40.483 2.417 1
1 297 . 19 1 1 A 28 28 PHE N N 28 118.100 122.684 -4.584 1
1 298 . 19 1 1 A 29 29 SER H H 29 9.070 8.883 0.187 1
1 299 . 19 1 1 A 29 29 SER HA H 29 4.750 4.712 0.038 1
1 302 . 19 1 1 A 29 29 SER C C 29 173.400 174.197 -0.797 1
1 303 . 19 1 1 A 29 29 SER CA C 29 58.400 59.631 -1.231 1
1 304 . 19 1 1 A 29 29 SER CB C 29 64.100 63.680 0.420 1
1 305 . 19 1 1 A 29 29 SER N N 29 118.400 121.104 -2.704 1
1 306 . 19 1 1 A 30 30 LEU H H 30 8.180 9.101 -0.921 1
1 307 . 19 1 1 A 30 30 LEU HA H 30 5.200 5.146 0.054 1
1 317 . 19 1 1 A 30 30 LEU CA C 30 53.100 53.808 -0.708 1
1 318 . 19 1 1 A 30 30 LEU CB C 30 44.800 43.104 1.696 1
1 322 . 19 1 1 A 30 30 LEU N N 30 122.200 127.100 -4.900 1
1 323 . 19 1 1 A 31 31 GLN HA H 31 4.680 4.381 0.299 1
1 328 . 19 1 1 A 31 31 GLN C C 31 173.600 174.483 -0.883 1
1 329 . 19 1 1 A 31 31 GLN CA C 31 54.200 54.109 0.091 1
1 330 . 19 1 1 A 31 31 GLN CB C 31 31.800 30.570 1.230 1
1 332 . 19 1 1 A 32 32 ALA H H 32 8.560 8.542 0.018 1
1 333 . 19 1 1 A 32 32 ALA HA H 32 3.990 3.966 0.024 1
1 337 . 19 1 1 A 32 32 ALA C C 32 175.600 176.183 -0.583 1
1 338 . 19 1 1 A 32 32 ALA CA C 32 50.900 51.395 -0.495 1
1 339 . 19 1 1 A 32 32 ALA CB C 32 20.300 18.444 1.856 1
1 340 . 19 1 1 A 32 32 ALA N N 32 128.100 127.689 0.411 1
1 341 . 19 1 1 A 33 33 LEU H H 33 8.740 8.982 -0.242 1
1 342 . 19 1 1 A 33 33 LEU HA H 33 4.560 4.793 -0.233 1
1 352 . 19 1 1 A 33 33 LEU C C 33 175.400 175.382 0.018 1
1 353 . 19 1 1 A 33 33 LEU CA C 33 52.700 53.580 -0.880 1
1 354 . 19 1 1 A 33 33 LEU CB C 33 44.200 44.321 -0.121 1
1 358 . 19 1 1 A 33 33 LEU N N 33 124.500 125.774 -1.274 1
1 359 . 19 1 1 A 34 34 CYS H H 34 8.260 8.660 -0.400 1
1 360 . 19 1 1 A 34 34 CYS HA H 34 4.270 4.764 -0.494 1
1 363 . 19 1 1 A 34 34 CYS CA C 34 56.900 56.038 0.862 1
1 364 . 19 1 1 A 34 34 CYS CB C 34 31.400 29.125 2.275 1
1 365 . 19 1 1 A 34 34 CYS N N 34 123.600 125.615 -2.015 1
1 366 . 19 1 1 A 35 35 PRO HA H 35 4.290 4.260 0.030 1
1 373 . 19 1 1 A 35 35 PRO C C 35 176.100 176.765 -0.665 1
1 374 . 19 1 1 A 35 35 PRO CA C 35 63.700 63.813 -0.113 1
1 375 . 19 1 1 A 35 35 PRO CB C 35 31.600 31.815 -0.215 1
1 378 . 19 1 1 A 36 36 ASP H H 36 8.980 8.881 0.099 1
1 379 . 19 1 1 A 36 36 ASP HA H 36 4.600 4.467 0.133 1
1 382 . 19 1 1 A 36 36 ASP C C 36 176.500 176.232 0.268 1
1 383 . 19 1 1 A 36 36 ASP CA C 36 56.400 55.810 0.590 1
1 384 . 19 1 1 A 36 36 ASP CB C 36 40.100 40.472 -0.372 1
1 385 . 19 1 1 A 36 36 ASP N N 36 122.200 121.449 0.751 1
1 386 . 19 1 1 A 37 37 CYS H H 37 7.840 8.198 -0.358 1
1 387 . 19 1 1 A 37 37 CYS HA H 37 5.000 3.997 1.003 1
1 390 . 19 1 1 A 37 37 CYS C C 37 175.400 174.613 0.787 1
1 391 . 19 1 1 A 37 37 CYS CA C 37 58.400 62.082 -3.682 1
1 392 . 19 1 1 A 37 37 CYS CB C 37 32.300 27.276 5.024 1
1 393 . 19 1 1 A 37 37 CYS N N 37 116.000 118.271 -2.271 1
1 394 . 19 1 1 A 38 38 ARG H H 38 7.880 8.134 -0.254 1
1 395 . 19 1 1 A 38 38 ARG HA H 38 4.050 3.855 0.195 1
1 402 . 19 1 1 A 38 38 ARG C C 38 173.700 174.809 -1.109 1
1 403 . 19 1 1 A 38 38 ARG CA C 38 58.100 57.188 0.912 1
1 404 . 19 1 1 A 38 38 ARG CB C 38 27.400 29.364 -1.964 1
1 407 . 19 1 1 A 38 38 ARG N N 38 117.700 120.384 -2.684 1
1 408 . 19 1 1 A 39 39 GLN H H 39 7.720 7.573 0.147 1
1 409 . 19 1 1 A 39 39 GLN HA H 39 4.710 4.503 0.207 1
1 414 . 19 1 1 A 39 39 GLN CA C 39 53.900 54.391 -0.491 1
1 415 . 19 1 1 A 39 39 GLN CB C 39 28.100 27.478 0.622 1
1 417 . 19 1 1 A 39 39 GLN N N 39 117.500 118.752 -1.252 1
1 418 . 19 1 1 A 40 40 PRO HA H 40 4.570 4.562 0.008 1
1 425 . 19 1 1 A 40 40 PRO C C 40 176.600 176.527 0.073 1
1 426 . 19 1 1 A 40 40 PRO CA C 40 63.700 62.339 1.361 1
1 427 . 19 1 1 A 40 40 PRO CB C 40 31.900 29.455 2.445 1
1 430 . 19 1 1 A 41 41 LEU H H 41 8.170 8.059 0.111 1
1 431 . 19 1 1 A 41 41 LEU HA H 41 4.460 4.351 0.109 1
1 441 . 19 1 1 A 41 41 LEU C C 41 177.200 177.023 0.177 1
1 442 . 19 1 1 A 41 41 LEU CA C 41 54.000 54.891 -0.891 1
1 443 . 19 1 1 A 41 41 LEU CB C 41 43.200 42.100 1.100 1
1 447 . 19 1 1 A 41 41 LEU N N 41 124.100 124.391 -0.291 1
1 448 . 19 1 1 A 42 42 GLN H H 42 9.240 8.463 0.777 1
1 449 . 19 1 1 A 42 42 GLN HA H 42 4.490 4.396 0.094 1
1 454 . 19 1 1 A 42 42 GLN C C 42 175.000 175.675 -0.675 1
1 455 . 19 1 1 A 42 42 GLN CA C 42 55.300 56.062 -0.762 1
1 456 . 19 1 1 A 42 42 GLN CB C 42 29.600 28.943 0.657 1
1 458 . 19 1 1 A 42 42 GLN N N 42 122.100 124.295 -2.195 1
1 459 . 19 1 1 A 43 43 VAL H H 43 8.600 8.678 -0.078 1
1 460 . 19 1 1 A 43 43 VAL HA H 43 4.260 3.949 0.311 1
1 468 . 19 1 1 A 43 43 VAL C C 43 175.500 175.394 0.106 1
1 469 . 19 1 1 A 43 43 VAL CA C 43 62.100 62.837 -0.737 1
1 470 . 19 1 1 A 43 43 VAL CB C 43 32.000 30.737 1.263 1
1 473 . 19 1 1 A 43 43 VAL N N 43 126.400 125.544 0.856 1
1 474 . 19 1 1 A 44 44 LEU H H 44 8.940 8.740 0.200 1
1 475 . 19 1 1 A 44 44 LEU HA H 44 4.510 4.606 -0.096 1
1 485 . 19 1 1 A 44 44 LEU C C 44 175.500 176.153 -0.653 1
1 486 . 19 1 1 A 44 44 LEU CA C 44 53.400 54.356 -0.956 1
1 487 . 19 1 1 A 44 44 LEU CB C 44 42.800 40.727 2.073 1
1 491 . 19 1 1 A 44 44 LEU N N 44 130.200 129.372 0.828 1
1 492 . 19 1 1 A 45 45 LYS H H 45 8.520 8.738 -0.218 1
1 493 . 19 1 1 A 45 45 LYS HA H 45 4.830 4.775 0.055 1
1 502 . 19 1 1 A 45 45 LYS C C 45 175.600 175.922 -0.322 1
1 503 . 19 1 1 A 45 45 LYS CA C 45 55.700 55.272 0.428 1
1 504 . 19 1 1 A 45 45 LYS CB C 45 33.500 33.852 -0.352 1
1 508 . 19 1 1 A 45 45 LYS N N 45 123.700 124.567 -0.867 1
1 509 . 19 1 1 A 46 46 ALA H H 46 8.220 8.870 -0.650 1
1 510 . 19 1 1 A 46 46 ALA HA H 46 4.540 4.872 -0.332 1
1 514 . 19 1 1 A 46 46 ALA C C 46 176.900 175.754 1.146 1
1 515 . 19 1 1 A 46 46 ALA CA C 46 51.900 49.922 1.978 1
1 516 . 19 1 1 A 46 46 ALA CB C 46 20.700 23.014 -2.314 1
1 517 . 19 1 1 A 46 46 ALA N N 46 126.400 126.939 -0.539 1
1 518 . 19 1 1 A 47 47 CYS H H 47 9.200 8.569 0.631 1
1 519 . 19 1 1 A 47 47 CYS HA H 47 4.080 4.562 -0.482 1
1 522 . 19 1 1 A 47 47 CYS C C 47 175.100 175.223 -0.123 1
1 523 . 19 1 1 A 47 47 CYS CA C 47 59.700 59.708 -0.008 1
1 524 . 19 1 1 A 47 47 CYS CB C 47 25.800 27.061 -1.261 1
1 525 . 19 1 1 A 47 47 CYS N N 47 120.400 118.592 1.808 1
1 526 . 19 1 1 A 48 48 GLY H H 48 8.620 8.193 0.427 1
1 527 . 19 1 1 A 48 48 GLY HA2 H 48 3.670 4.035 -0.365 1
1 528 . 19 1 1 A 48 48 GLY HA3 H 48 4.070 4.036 0.034 1
1 529 . 19 1 1 A 48 48 GLY C C 48 173.100 173.272 -0.172 1
1 530 . 19 1 1 A 48 48 GLY CA C 48 45.500 45.448 0.052 1
1 531 . 19 1 1 A 48 48 GLY N N 48 109.000 113.829 -4.829 1
1 532 . 19 1 1 A 49 49 ALA H H 49 7.820 7.749 0.071 1
1 533 . 19 1 1 A 49 49 ALA HA H 49 4.620 4.584 0.036 1
1 537 . 19 1 1 A 49 49 ALA C C 49 176.000 175.490 0.510 1
1 538 . 19 1 1 A 49 49 ALA CA C 49 51.000 51.444 -0.444 1
1 539 . 19 1 1 A 49 49 ALA CB C 49 21.300 22.112 -0.812 1
1 540 . 19 1 1 A 49 49 ALA N N 49 124.000 121.604 2.396 1
1 541 . 19 1 1 A 50 50 VAL H H 50 8.100 8.577 -0.477 1
1 542 . 19 1 1 A 50 50 VAL HA H 50 4.560 5.198 -0.638 1
1 550 . 19 1 1 A 50 50 VAL C C 50 174.300 173.623 0.677 1
1 551 . 19 1 1 A 50 50 VAL CA C 50 61.400 59.222 2.178 1
1 552 . 19 1 1 A 50 50 VAL CB C 50 33.800 35.776 -1.976 1
1 555 . 19 1 1 A 50 50 VAL N N 50 119.600 112.651 6.949 1
1 556 . 19 1 1 A 51 51 ASP H H 51 8.640 8.548 0.092 1
1 557 . 19 1 1 A 51 51 ASP HA H 51 5.030 5.092 -0.062 1
1 560 . 19 1 1 A 51 51 ASP C C 51 173.000 173.838 -0.838 1
1 561 . 19 1 1 A 51 51 ASP CA C 51 52.000 53.417 -1.417 1
1 562 . 19 1 1 A 51 51 ASP CB C 51 43.900 44.717 -0.817 1
1 563 . 19 1 1 A 51 51 ASP N N 51 124.900 120.643 4.257 1
1 564 . 19 1 1 A 52 52 TYR H H 52 8.950 9.068 -0.118 1
1 565 . 19 1 1 A 52 52 TYR HA H 52 5.150 5.213 -0.063 1
1 572 . 19 1 1 A 52 52 TYR C C 52 174.500 175.282 -0.782 1
1 573 . 19 1 1 A 52 52 TYR CA C 52 57.300 56.474 0.826 1
1 574 . 19 1 1 A 52 52 TYR CB C 52 41.200 39.459 1.741 1
1 579 . 19 1 1 A 52 52 TYR N N 52 118.500 125.996 -7.496 1
1 580 . 19 1 1 A 53 53 PHE H H 53 9.250 8.515 0.735 1
1 581 . 19 1 1 A 53 53 PHE HA H 53 5.040 4.853 0.187 1
1 588 . 19 1 1 A 53 53 PHE C C 53 173.200 173.636 -0.436 1
1 589 . 19 1 1 A 53 53 PHE CA C 53 56.400 58.239 -1.839 1
1 590 . 19 1 1 A 53 53 PHE CB C 53 44.300 41.827 2.473 1
1 595 . 19 1 1 A 53 53 PHE N N 53 123.100 123.361 -0.261 1
1 596 . 19 1 1 A 54 54 CYS H H 54 9.160 8.605 0.555 1
1 597 . 19 1 1 A 54 54 CYS HA H 54 4.690 4.623 0.067 1
1 600 . 19 1 1 A 54 54 CYS C C 54 175.700 175.012 0.688 1
1 601 . 19 1 1 A 54 54 CYS CA C 54 58.200 58.462 -0.262 1
1 602 . 19 1 1 A 54 54 CYS CB C 54 29.600 26.938 2.662 1
1 603 . 19 1 1 A 54 54 CYS N N 54 130.800 124.879 5.921 1
1 604 . 19 1 1 A 55 55 GLN H H 55 9.260 8.258 1.002 1
1 605 . 19 1 1 A 55 55 GLN HA H 55 4.300 3.998 0.302 1
1 610 . 19 1 1 A 55 55 GLN C C 55 174.400 177.533 -3.133 1
1 611 . 19 1 1 A 55 55 GLN CA C 55 56.900 58.608 -1.708 1
1 612 . 19 1 1 A 55 55 GLN CB C 55 28.900 28.803 0.097 1
1 614 . 19 1 1 A 55 55 GLN N N 55 129.000 125.009 3.991 1
1 615 . 19 1 1 A 56 56 ASN H H 56 9.100 7.912 1.188 1
1 616 . 19 1 1 A 56 56 ASN HA H 56 4.860 4.552 0.308 1
1 619 . 19 1 1 A 56 56 ASN C C 56 174.100 176.688 -2.588 1
1 620 . 19 1 1 A 56 56 ASN CA C 56 52.100 55.775 -3.675 1
1 621 . 19 1 1 A 56 56 ASN CB C 56 39.500 39.235 0.265 1
1 622 . 19 1 1 A 56 56 ASN N N 56 122.300 117.930 4.370 1
1 623 . 19 1 1 A 57 57 GLY H H 57 7.180 7.654 -0.474 1
1 624 . 19 1 1 A 57 57 GLY HA2 H 57 3.450 3.878 -0.428 1
1 625 . 19 1 1 A 57 57 GLY HA3 H 57 4.000 3.884 0.116 1
1 626 . 19 1 1 A 57 57 GLY C C 57 175.800 175.239 0.561 1
1 627 . 19 1 1 A 57 57 GLY CA C 57 45.100 46.088 -0.988 1
1 628 . 19 1 1 A 57 57 GLY N N 57 104.200 106.521 -2.321 1
1 629 . 19 1 1 A 58 58 HIS H H 58 7.380 8.821 -1.441 1
1 630 . 19 1 1 A 58 58 HIS HA H 58 4.620 4.359 0.261 1
1 633 . 19 1 1 A 58 58 HIS C C 58 174.100 174.189 -0.089 1
1 634 . 19 1 1 A 58 58 HIS CA C 58 59.600 57.991 1.609 1
1 635 . 19 1 1 A 58 58 HIS CB C 58 30.100 29.561 0.539 1
1 636 . 19 1 1 A 58 58 HIS N N 58 116.000 122.204 -6.204 1
1 637 . 19 1 1 A 59 59 GLY H H 59 7.610 7.875 -0.265 1
1 638 . 19 1 1 A 59 59 GLY HA2 H 59 2.930 3.853 -0.923 1
1 639 . 19 1 1 A 59 59 GLY HA3 H 59 3.700 3.906 -0.206 1
1 640 . 19 1 1 A 59 59 GLY C C 59 173.100 172.649 0.451 1
1 641 . 19 1 1 A 59 59 GLY CA C 59 45.500 44.903 0.597 1
1 642 . 19 1 1 A 59 59 GLY N N 59 108.000 105.961 2.039 1
1 643 . 19 1 1 A 60 60 LEU H H 60 8.450 8.547 -0.097 1
1 644 . 19 1 1 A 60 60 LEU HA H 60 4.620 3.804 0.816 1
1 654 . 19 1 1 A 60 60 LEU C C 60 176.800 175.746 1.054 1
1 655 . 19 1 1 A 60 60 LEU CA C 60 55.700 55.560 0.140 1
1 656 . 19 1 1 A 60 60 LEU CB C 60 42.200 42.154 0.046 1
1 660 . 19 1 1 A 60 60 LEU N N 60 124.300 122.253 2.047 1
1 661 . 19 1 1 A 61 61 ILE H H 61 8.740 7.516 1.224 1
1 662 . 19 1 1 A 61 61 ILE HA H 61 4.200 4.464 -0.264 1
1 672 . 19 1 1 A 61 61 ILE C C 61 175.500 175.517 -0.017 1
1 673 . 19 1 1 A 61 61 ILE CA C 61 57.000 59.701 -2.701 1
1 674 . 19 1 1 A 61 61 ILE CB C 61 37.400 41.138 -3.738 1
1 678 . 19 1 1 A 61 61 ILE N N 61 128.500 122.113 6.387 1
1 679 . 19 1 1 A 62 62 SER H H 62 8.490 8.772 -0.282 1
1 680 . 19 1 1 A 62 62 SER HA H 62 4.380 4.463 -0.083 1
1 683 . 19 1 1 A 62 62 SER C C 62 176.500 176.216 0.284 1
1 684 . 19 1 1 A 62 62 SER CA C 62 58.300 58.713 -0.413 1
1 685 . 19 1 1 A 62 62 SER CB C 62 63.500 63.489 0.011 1
1 686 . 19 1 1 A 62 62 SER N N 62 121.700 122.914 -1.214 1
1 687 . 19 1 1 A 63 63 LYS H H 63 9.040 9.066 -0.026 1
1 688 . 19 1 1 A 63 63 LYS HA H 63 3.910 4.299 -0.389 1
1 697 . 19 1 1 A 63 63 LYS C C 63 178.200 178.368 -0.168 1
1 698 . 19 1 1 A 63 63 LYS CA C 63 60.300 58.894 1.406 1
1 699 . 19 1 1 A 63 63 LYS CB C 63 32.000 32.164 -0.164 1
1 703 . 19 1 1 A 63 63 LYS N N 63 126.000 129.860 -3.860 1
1 704 . 19 1 1 A 64 64 LYS H H 64 8.090 7.521 0.569 1
1 705 . 19 1 1 A 64 64 LYS HA H 64 4.190 4.304 -0.114 1
1 714 . 19 1 1 A 64 64 LYS C C 64 177.000 177.569 -0.569 1
1 715 . 19 1 1 A 64 64 LYS CA C 64 58.000 58.196 -0.196 1
1 716 . 19 1 1 A 64 64 LYS CB C 64 32.300 32.195 0.105 1
1 720 . 19 1 1 A 64 64 LYS N N 64 115.400 118.858 -3.458 1
1 721 . 19 1 1 A 65 65 ARG H H 65 7.960 8.151 -0.191 1
1 722 . 19 1 1 A 65 65 ARG HA H 65 4.280 4.552 -0.272 1
1 729 . 19 1 1 A 65 65 ARG C C 65 176.000 175.951 0.049 1
1 730 . 19 1 1 A 65 65 ARG CA C 65 55.900 55.386 0.514 1
1 731 . 19 1 1 A 65 65 ARG CB C 65 32.000 31.251 0.749 1
1 734 . 19 1 1 A 65 65 ARG N N 65 116.600 117.025 -0.425 1
1 735 . 19 1 1 A 66 66 VAL H H 66 6.810 7.292 -0.482 1
1 736 . 19 1 1 A 66 66 VAL HA H 66 2.800 3.866 -1.066 1
1 744 . 19 1 1 A 66 66 VAL C C 66 174.500 174.916 -0.416 1
1 745 . 19 1 1 A 66 66 VAL CA C 66 65.000 62.876 2.124 1
1 746 . 19 1 1 A 66 66 VAL CB C 66 32.000 31.993 0.007 1
1 749 . 19 1 1 A 66 66 VAL N N 66 119.600 120.939 -1.339 1
1 750 . 19 1 1 A 67 67 ASN H H 67 7.270 8.811 -1.541 1
1 751 . 19 1 1 A 67 67 ASN HA H 67 4.840 5.040 -0.200 1
1 756 . 19 1 1 A 67 67 ASN C C 67 173.200 173.690 -0.490 1
1 757 . 19 1 1 A 67 67 ASN CA C 67 51.200 51.554 -0.354 1
1 758 . 19 1 1 A 67 67 ASN CB C 67 39.100 38.908 0.192 1
1 759 . 19 1 1 A 67 67 ASN N N 67 123.500 126.411 -2.911 1
1 761 . 19 1 1 A 68 68 PHE H H 68 8.180 9.043 -0.863 1
1 762 . 19 1 1 A 68 68 PHE HA H 68 5.170 4.996 0.174 1
1 770 . 19 1 1 A 68 68 PHE C C 68 175.300 175.743 -0.443 1
1 771 . 19 1 1 A 68 68 PHE CA C 68 58.000 58.080 -0.080 1
1 772 . 19 1 1 A 68 68 PHE CB C 68 41.100 38.749 2.351 1
1 778 . 19 1 1 A 68 68 PHE N N 68 123.300 126.267 -2.967 1
1 779 . 19 1 1 A 69 69 VAL H H 69 8.660 8.951 -0.291 1
1 780 . 19 1 1 A 69 69 VAL HA H 69 4.520 4.897 -0.377 1
1 788 . 19 1 1 A 69 69 VAL C C 69 175.100 175.102 -0.002 1
1 789 . 19 1 1 A 69 69 VAL CA C 69 59.200 60.452 -1.252 1
1 790 . 19 1 1 A 69 69 VAL CB C 69 35.100 33.597 1.503 1
1 793 . 19 1 1 A 69 69 VAL N N 69 116.500 118.970 -2.470 1
1 794 . 19 1 1 A 70 70 ILE H H 70 8.480 8.615 -0.135 1
1 795 . 19 1 1 A 70 70 ILE HA H 70 4.350 4.425 -0.075 1
1 805 . 19 1 1 A 70 70 ILE C C 70 176.400 175.446 0.954 1
1 806 . 19 1 1 A 70 70 ILE CA C 70 61.300 61.359 -0.059 1
1 807 . 19 1 1 A 70 70 ILE CB C 70 38.200 37.362 0.838 1
1 811 . 19 1 1 A 70 70 ILE N N 70 123.100 124.860 -1.760 1
1 812 . 19 1 1 A 71 71 SER H H 71 8.770 9.473 -0.703 1
1 813 . 19 1 1 A 71 71 SER HA H 71 4.550 5.151 -0.601 1
1 816 . 19 1 1 A 71 71 SER C C 71 174.200 173.467 0.733 1
1 817 . 19 1 1 A 71 71 SER CA C 71 57.700 57.869 -0.169 1
1 818 . 19 1 1 A 71 71 SER CB C 71 64.100 64.486 -0.386 1
1 819 . 19 1 1 A 71 71 SER N N 71 122.200 125.225 -3.025 1
1 820 . 19 1 1 A 72 72 ASP H H 72 8.470 9.001 -0.531 1
1 821 . 19 1 1 A 72 72 ASP HA H 72 4.720 4.939 -0.219 1
1 824 . 19 1 1 A 72 72 ASP C C 72 176.100 175.256 0.844 1
1 825 . 19 1 1 A 72 72 ASP CA C 72 54.200 52.214 1.986 1
1 826 . 19 1 1 A 72 72 ASP CB C 72 41.200 43.106 -1.906 1
1 827 . 19 1 1 A 72 72 ASP N N 72 122.700 125.599 -2.899 1
1 828 . 19 1 1 A 73 73 GLN H H 73 8.490 8.717 -0.227 1
1 829 . 19 1 1 A 73 73 GLN HA H 73 4.310 3.795 0.515 1
1 834 . 19 1 1 A 73 73 GLN C C 73 176.000 175.090 0.910 1
1 835 . 19 1 1 A 73 73 GLN CA C 73 56.100 56.594 -0.494 1
1 836 . 19 1 1 A 73 73 GLN CB C 73 29.200 26.737 2.463 1
1 838 . 19 1 1 A 73 73 GLN N N 73 120.300 117.825 2.475 1
1 839 . 19 1 1 A 74 74 LEU H H 74 8.250 7.616 0.634 1
1 840 . 19 1 1 A 74 74 LEU HA H 74 4.250 4.016 0.234 1
1 850 . 19 1 1 A 74 74 LEU C C 74 177.100 177.392 -0.292 1
1 851 . 19 1 1 A 74 74 LEU CA C 74 55.200 55.638 -0.438 1
1 852 . 19 1 1 A 74 74 LEU CB C 74 42.100 42.098 0.002 1
1 856 . 19 1 1 A 74 74 LEU N N 74 123.000 119.953 3.047 1
1 857 . 19 1 1 A 75 75 GLU H H 75 8.260 8.829 -0.569 1
1 858 . 19 1 1 A 75 75 GLU HA H 75 4.170 3.889 0.281 1
1 863 . 19 1 1 A 75 75 GLU C C 75 176.200 175.634 0.566 1
1 864 . 19 1 1 A 75 75 GLU CA C 75 56.300 57.011 -0.711 1
1 865 . 19 1 1 A 75 75 GLU CB C 75 29.800 28.218 1.582 1
1 867 . 19 1 1 A 75 75 GLU N N 75 120.700 118.448 2.252 1
1 868 . 19 1 1 A 76 76 HIS H H 76 8.480 7.990 0.490 1
1 869 . 19 1 1 A 76 76 HIS HA H 76 4.610 4.606 0.004 1
1 872 . 19 1 1 A 76 76 HIS C C 76 174.200 174.644 -0.444 1
1 873 . 19 1 1 A 76 76 HIS CA C 76 55.100 55.671 -0.571 1
1 874 . 19 1 1 A 76 76 HIS CB C 76 28.700 30.402 -1.702 1
1 875 . 19 1 1 A 76 76 HIS N N 76 119.100 118.940 0.160 1
1 876 . 19 1 1 A 77 77 HIS H H 77 8.540 8.835 -0.295 1
1 877 . 19 1 1 A 77 77 HIS HA H 77 4.620 4.837 -0.217 1
1 880 . 19 1 1 A 77 77 HIS C C 77 174.100 175.088 -0.988 1
1 881 . 19 1 1 A 77 77 HIS CA C 77 55.300 56.070 -0.770 1
1 882 . 19 1 1 A 77 77 HIS CB C 77 28.900 30.465 -1.565 1
1 883 . 19 1 1 A 77 77 HIS N N 77 118.700 118.244 0.456 1
1 884 . 19 1 1 A 78 78 HIS H H 78 8.630 8.718 -0.088 1
1 885 . 19 1 1 A 78 78 HIS HA H 78 4.660 5.752 -1.092 1
1 888 . 19 1 1 A 78 78 HIS C C 78 174.100 173.926 0.174 1
1 889 . 19 1 1 A 78 78 HIS CA C 78 55.200 53.575 1.625 1
1 890 . 19 1 1 A 78 78 HIS CB C 78 29.100 32.956 -3.856 1
1 891 . 19 1 1 A 78 78 HIS N N 78 119.500 118.016 1.484 1
1 892 . 19 1 1 A 79 79 HIS H H 79 8.690 8.507 0.183 1
1 893 . 19 1 1 A 79 79 HIS HA H 79 4.660 5.399 -0.739 1
1 896 . 19 1 1 A 79 79 HIS C C 79 173.900 173.429 0.471 1
1 897 . 19 1 1 A 79 79 HIS CA C 79 55.200 54.144 1.056 1
1 898 . 19 1 1 A 79 79 HIS CB C 79 29.100 32.737 -3.637 1
1 899 . 19 1 1 A 79 79 HIS N N 79 120.400 115.604 4.796 1
1 900 . 19 1 1 A 80 80 HIS H H 80 8.590 9.516 -0.926 1
1 901 . 19 1 1 A 80 80 HIS HA H 80 4.630 4.749 -0.119 1
1 904 . 19 1 1 A 80 80 HIS C C 80 173.400 175.351 -1.951 1
1 905 . 19 1 1 A 80 80 HIS CA C 80 55.400 57.272 -1.872 1
1 906 . 19 1 1 A 80 80 HIS CB C 80 29.300 31.853 -2.553 1
1 907 . 19 1 1 A 80 80 HIS N N 80 120.600 117.682 2.918 1
1 7 . 20 1 1 A 2 2 GLU H H 2 8.850 8.893 -0.043 1
1 8 . 20 1 1 A 2 2 GLU HA H 2 4.450 4.449 0.001 1
1 13 . 20 1 1 A 2 2 GLU C C 2 175.400 176.031 -0.631 1
1 14 . 20 1 1 A 2 2 GLU CA C 2 55.900 55.685 0.215 1
1 15 . 20 1 1 A 2 2 GLU CB C 2 30.300 29.149 1.151 1
1 17 . 20 1 1 A 2 2 GLU N N 2 123.600 124.896 -1.296 1
1 18 . 20 1 1 A 3 3 ILE H H 3 8.590 8.325 0.265 1
1 19 . 20 1 1 A 3 3 ILE HA H 3 4.310 3.834 0.476 1
1 29 . 20 1 1 A 3 3 ILE C C 3 175.100 176.508 -1.408 1
1 30 . 20 1 1 A 3 3 ILE CA C 3 60.700 64.991 -4.291 1
1 31 . 20 1 1 A 3 3 ILE CB C 3 39.500 38.277 1.223 1
1 35 . 20 1 1 A 3 3 ILE N N 3 122.100 127.297 -5.197 1
1 36 . 20 1 1 A 4 4 THR H H 4 8.130 7.795 0.335 1
1 37 . 20 1 1 A 4 4 THR HA H 4 4.540 4.392 0.148 1
1 42 . 20 1 1 A 4 4 THR C C 4 173.000 172.605 0.395 1
1 43 . 20 1 1 A 4 4 THR CA C 4 59.700 62.119 -2.419 1
1 44 . 20 1 1 A 4 4 THR CB C 4 71.400 67.415 3.985 1
1 46 . 20 1 1 A 4 4 THR N N 4 116.800 114.523 2.277 1
1 47 . 20 1 1 A 5 5 CYS H H 5 8.700 8.799 -0.099 1
1 48 . 20 1 1 A 5 5 CYS HA H 5 3.960 4.710 -0.750 1
1 51 . 20 1 1 A 5 5 CYS CA C 5 56.800 55.632 1.168 1
1 52 . 20 1 1 A 5 5 CYS CB C 5 32.000 29.610 2.390 1
1 53 . 20 1 1 A 5 5 CYS N N 5 125.600 121.737 3.863 1
1 54 . 20 1 1 A 6 6 PRO HA H 6 4.260 4.315 -0.055 1
1 61 . 20 1 1 A 6 6 PRO C C 6 176.000 177.545 -1.545 1
1 62 . 20 1 1 A 6 6 PRO CA C 6 63.900 65.043 -1.143 1
1 63 . 20 1 1 A 6 6 PRO CB C 6 32.100 31.608 0.492 1
1 66 . 20 1 1 A 7 7 VAL H H 7 9.210 7.817 1.393 1
1 67 . 20 1 1 A 7 7 VAL HA H 7 3.820 4.521 -0.701 1
1 75 . 20 1 1 A 7 7 VAL CA C 7 64.900 60.594 4.306 1
1 76 . 20 1 1 A 7 7 VAL CB C 7 32.200 31.593 0.607 1
1 79 . 20 1 1 A 7 7 VAL N N 7 122.500 113.990 8.510 1
1 80 . 20 1 1 A 8 8 CYS HA H 8 4.560 4.674 -0.114 1
1 83 . 20 1 1 A 8 8 CYS C C 8 176.800 175.329 1.471 1
1 84 . 20 1 1 A 8 8 CYS CA C 8 58.900 59.022 -0.122 1
1 85 . 20 1 1 A 8 8 CYS CB C 8 32.000 30.335 1.665 1
1 86 . 20 1 1 A 9 9 HIS H H 9 7.550 8.564 -1.014 1
1 87 . 20 1 1 A 9 9 HIS HA H 9 4.470 4.444 0.026 1
1 91 . 20 1 1 A 9 9 HIS CA C 9 56.900 57.885 -0.985 1
1 92 . 20 1 1 A 9 9 HIS CB C 9 25.900 29.506 -3.606 1
1 94 . 20 1 1 A 9 9 HIS N N 9 115.000 119.298 -4.298 1
1 95 . 20 1 1 A 10 10 HIS HA H 10 4.790 4.551 0.239 1
1 100 . 20 1 1 A 10 10 HIS C C 10 174.700 173.437 1.263 1
1 101 . 20 1 1 A 10 10 HIS CA C 10 55.700 56.669 -0.969 1
1 102 . 20 1 1 A 10 10 HIS CB C 10 29.800 29.534 0.266 1
1 105 . 20 1 1 A 11 11 ALA H H 11 8.790 8.068 0.722 1
1 106 . 20 1 1 A 11 11 ALA HA H 11 4.310 5.219 -0.909 1
1 110 . 20 1 1 A 11 11 ALA C C 11 177.800 175.700 2.100 1
1 111 . 20 1 1 A 11 11 ALA CA C 11 53.400 50.149 3.251 1
1 112 . 20 1 1 A 11 11 ALA CB C 11 18.600 22.774 -4.174 1
1 113 . 20 1 1 A 11 11 ALA N N 11 124.500 123.054 1.446 1
1 114 . 20 1 1 A 12 12 LEU H H 12 8.480 8.806 -0.326 1
1 115 . 20 1 1 A 12 12 LEU HA H 12 4.640 5.083 -0.443 1
1 125 . 20 1 1 A 12 12 LEU C C 12 176.900 175.580 1.320 1
1 126 . 20 1 1 A 12 12 LEU CA C 12 53.500 53.552 -0.052 1
1 127 . 20 1 1 A 12 12 LEU CB C 12 44.100 42.795 1.305 1
1 131 . 20 1 1 A 12 12 LEU N N 12 121.200 121.882 -0.682 1
1 132 . 20 1 1 A 13 13 GLU H H 13 8.600 8.408 0.192 1
1 133 . 20 1 1 A 13 13 GLU HA H 13 4.590 4.732 -0.142 1
1 138 . 20 1 1 A 13 13 GLU C C 13 175.700 175.568 0.132 1
1 139 . 20 1 1 A 13 13 GLU CA C 13 54.700 56.172 -1.472 1
1 140 . 20 1 1 A 13 13 GLU CB C 13 30.200 30.663 -0.463 1
1 142 . 20 1 1 A 13 13 GLU N N 13 120.300 125.173 -4.873 1
1 143 . 20 1 1 A 14 14 ARG H H 14 9.010 8.822 0.188 1
1 144 . 20 1 1 A 14 14 ARG HA H 14 4.460 4.548 -0.088 1
1 151 . 20 1 1 A 14 14 ARG C C 14 174.900 176.310 -1.410 1
1 152 . 20 1 1 A 14 14 ARG CA C 14 56.400 56.649 -0.249 1
1 153 . 20 1 1 A 14 14 ARG CB C 14 31.800 30.471 1.329 1
1 156 . 20 1 1 A 14 14 ARG N N 14 126.500 127.205 -0.705 1
1 157 . 20 1 1 A 15 15 ASN H H 15 8.670 9.428 -0.758 1
1 158 . 20 1 1 A 15 15 ASN HA H 15 4.850 4.958 -0.108 1
1 161 . 20 1 1 A 15 15 ASN C C 15 174.900 175.151 -0.251 1
1 162 . 20 1 1 A 15 15 ASN CA C 15 52.100 53.115 -1.015 1
1 163 . 20 1 1 A 15 15 ASN CB C 15 39.200 39.457 -0.257 1
1 164 . 20 1 1 A 15 15 ASN N N 15 125.100 123.437 1.663 1
1 165 . 20 1 1 A 16 16 GLY H H 16 8.880 7.716 1.164 1
1 166 . 20 1 1 A 16 16 GLY HA2 H 16 3.570 4.000 -0.430 1
1 167 . 20 1 1 A 16 16 GLY HA3 H 16 4.000 4.020 -0.020 1
1 168 . 20 1 1 A 16 16 GLY C C 16 173.700 174.051 -0.351 1
1 169 . 20 1 1 A 16 16 GLY CA C 16 47.200 45.738 1.462 1
1 170 . 20 1 1 A 16 16 GLY N N 16 114.400 106.713 7.687 1
1 171 . 20 1 1 A 17 17 ASP H H 17 8.600 8.495 0.105 1
1 172 . 20 1 1 A 17 17 ASP HA H 17 4.600 4.620 -0.020 1
1 175 . 20 1 1 A 17 17 ASP C C 17 174.800 175.342 -0.542 1
1 176 . 20 1 1 A 17 17 ASP CA C 17 53.800 55.981 -2.181 1
1 177 . 20 1 1 A 17 17 ASP CB C 17 40.200 41.770 -1.570 1
1 178 . 20 1 1 A 17 17 ASP N N 17 126.400 125.074 1.326 1
1 179 . 20 1 1 A 18 18 THR H H 18 7.710 7.893 -0.183 1
1 180 . 20 1 1 A 18 18 THR HA H 18 5.120 5.052 0.068 1
1 185 . 20 1 1 A 18 18 THR C C 18 171.900 172.641 -0.741 1
1 186 . 20 1 1 A 18 18 THR CA C 18 60.400 59.742 0.658 1
1 187 . 20 1 1 A 18 18 THR CB C 18 72.300 71.711 0.589 1
1 189 . 20 1 1 A 18 18 THR N N 18 112.300 112.107 0.193 1
1 190 . 20 1 1 A 19 19 ALA H H 19 9.090 9.541 -0.451 1
1 191 . 20 1 1 A 19 19 ALA HA H 19 5.250 5.450 -0.200 1
1 195 . 20 1 1 A 19 19 ALA C C 19 175.000 175.505 -0.505 1
1 196 . 20 1 1 A 19 19 ALA CA C 19 50.300 50.108 0.192 1
1 197 . 20 1 1 A 19 19 ALA CB C 19 23.900 21.388 2.512 1
1 198 . 20 1 1 A 19 19 ALA N N 19 123.300 129.077 -5.777 1
1 199 . 20 1 1 A 20 20 HIS H H 20 9.130 9.216 -0.086 1
1 200 . 20 1 1 A 20 20 HIS HA H 20 5.550 5.121 0.429 1
1 205 . 20 1 1 A 20 20 HIS C C 20 173.100 173.676 -0.576 1
1 206 . 20 1 1 A 20 20 HIS CA C 20 54.700 54.744 -0.044 1
1 207 . 20 1 1 A 20 20 HIS CB C 20 31.900 31.865 0.035 1
1 210 . 20 1 1 A 20 20 HIS N N 20 120.000 124.253 -4.253 1
1 211 . 20 1 1 A 21 21 CYS H H 21 8.910 9.203 -0.293 1
1 212 . 20 1 1 A 21 21 CYS HA H 21 4.700 4.509 0.191 1
1 215 . 20 1 1 A 21 21 CYS C C 21 176.400 175.517 0.883 1
1 216 . 20 1 1 A 21 21 CYS CA C 21 57.900 58.344 -0.444 1
1 217 . 20 1 1 A 21 21 CYS CB C 21 31.700 28.588 3.112 1
1 218 . 20 1 1 A 21 21 CYS N N 21 129.200 127.914 1.286 1
1 219 . 20 1 1 A 22 22 GLU H H 22 9.030 9.018 0.012 1
1 220 . 20 1 1 A 22 22 GLU HA H 22 4.130 4.137 -0.007 1
1 225 . 20 1 1 A 22 22 GLU C C 22 177.400 178.848 -1.448 1
1 226 . 20 1 1 A 22 22 GLU CA C 22 58.200 59.461 -1.261 1
1 227 . 20 1 1 A 22 22 GLU CB C 22 29.500 29.759 -0.259 1
1 229 . 20 1 1 A 22 22 GLU N N 22 128.800 127.546 1.254 1
1 230 . 20 1 1 A 23 23 THR H H 23 8.360 7.904 0.456 1
1 231 . 20 1 1 A 23 23 THR HA H 23 3.920 3.888 0.032 1
1 236 . 20 1 1 A 23 23 THR C C 23 176.500 176.159 0.341 1
1 237 . 20 1 1 A 23 23 THR CA C 23 66.800 65.856 0.944 1
1 238 . 20 1 1 A 23 23 THR CB C 23 69.100 68.187 0.913 1
1 240 . 20 1 1 A 23 23 THR N N 23 119.800 114.165 5.635 1
1 241 . 20 1 1 A 24 24 CYS H H 24 9.570 7.740 1.830 1
1 242 . 20 1 1 A 24 24 CYS HA H 24 3.880 4.419 -0.539 1
1 245 . 20 1 1 A 24 24 CYS C C 24 174.900 174.172 0.728 1
1 246 . 20 1 1 A 24 24 CYS CA C 24 62.000 58.129 3.871 1
1 247 . 20 1 1 A 24 24 CYS CB C 24 30.300 26.750 3.550 1
1 248 . 20 1 1 A 24 24 CYS N N 24 123.600 117.407 6.193 1
1 249 . 20 1 1 A 25 25 ALA H H 25 7.720 7.758 -0.038 1
1 250 . 20 1 1 A 25 25 ALA HA H 25 3.820 4.068 -0.248 1
1 254 . 20 1 1 A 25 25 ALA C C 25 175.400 175.884 -0.484 1
1 255 . 20 1 1 A 25 25 ALA CA C 25 52.500 52.774 -0.274 1
1 256 . 20 1 1 A 25 25 ALA CB C 25 16.000 17.277 -1.277 1
1 257 . 20 1 1 A 25 25 ALA N N 25 121.400 121.628 -0.228 1
1 258 . 20 1 1 A 26 26 LYS H H 26 6.910 7.184 -0.274 1
1 259 . 20 1 1 A 26 26 LYS HA H 26 4.450 4.457 -0.007 1
1 268 . 20 1 1 A 26 26 LYS CA C 26 54.600 54.351 0.249 1
1 269 . 20 1 1 A 26 26 LYS CB C 26 37.900 34.742 3.158 1
1 273 . 20 1 1 A 26 26 LYS N N 26 116.100 115.239 0.861 1
1 274 . 20 1 1 A 27 27 ASP HA H 27 5.610 5.109 0.501 1
1 277 . 20 1 1 A 27 27 ASP C C 27 174.400 174.684 -0.284 1
1 278 . 20 1 1 A 27 27 ASP CA C 27 53.000 53.285 -0.285 1
1 279 . 20 1 1 A 27 27 ASP CB C 27 44.200 41.644 2.556 1
1 280 . 20 1 1 A 28 28 PHE H H 28 9.200 9.235 -0.035 1
1 281 . 20 1 1 A 28 28 PHE HA H 28 4.890 5.112 -0.222 1
1 289 . 20 1 1 A 28 28 PHE C C 28 175.500 175.063 0.437 1
1 290 . 20 1 1 A 28 28 PHE CA C 28 56.800 57.030 -0.230 1
1 291 . 20 1 1 A 28 28 PHE CB C 28 42.900 39.909 2.991 1
1 297 . 20 1 1 A 28 28 PHE N N 28 118.100 124.395 -6.295 1
1 298 . 20 1 1 A 29 29 SER H H 29 9.070 8.989 0.081 1
1 299 . 20 1 1 A 29 29 SER HA H 29 4.750 4.834 -0.084 1
1 302 . 20 1 1 A 29 29 SER C C 29 173.400 174.473 -1.073 1
1 303 . 20 1 1 A 29 29 SER CA C 29 58.400 58.246 0.154 1
1 304 . 20 1 1 A 29 29 SER CB C 29 64.100 63.985 0.115 1
1 305 . 20 1 1 A 29 29 SER N N 29 118.400 120.078 -1.678 1
1 306 . 20 1 1 A 30 30 LEU H H 30 8.180 9.044 -0.864 1
1 307 . 20 1 1 A 30 30 LEU HA H 30 5.200 5.318 -0.118 1
1 317 . 20 1 1 A 30 30 LEU CA C 30 53.100 53.339 -0.239 1
1 318 . 20 1 1 A 30 30 LEU CB C 30 44.800 44.976 -0.176 1
1 322 . 20 1 1 A 30 30 LEU N N 30 122.200 126.416 -4.216 1
1 323 . 20 1 1 A 31 31 GLN HA H 31 4.680 5.162 -0.482 1
1 328 . 20 1 1 A 31 31 GLN C C 31 173.600 174.453 -0.853 1
1 329 . 20 1 1 A 31 31 GLN CA C 31 54.200 54.124 0.076 1
1 330 . 20 1 1 A 31 31 GLN CB C 31 31.800 32.556 -0.756 1
1 332 . 20 1 1 A 32 32 ALA H H 32 8.560 8.535 0.025 1
1 333 . 20 1 1 A 32 32 ALA HA H 32 3.990 4.521 -0.531 1
1 337 . 20 1 1 A 32 32 ALA C C 32 175.600 176.419 -0.819 1
1 338 . 20 1 1 A 32 32 ALA CA C 32 50.900 50.658 0.242 1
1 339 . 20 1 1 A 32 32 ALA CB C 32 20.300 20.120 0.180 1
1 340 . 20 1 1 A 32 32 ALA N N 32 128.100 124.543 3.557 1
1 341 . 20 1 1 A 33 33 LEU H H 33 8.740 8.736 0.004 1
1 342 . 20 1 1 A 33 33 LEU HA H 33 4.560 4.901 -0.341 1
1 352 . 20 1 1 A 33 33 LEU C C 33 175.400 175.593 -0.193 1
1 353 . 20 1 1 A 33 33 LEU CA C 33 52.700 53.279 -0.579 1
1 354 . 20 1 1 A 33 33 LEU CB C 33 44.200 45.079 -0.879 1
1 358 . 20 1 1 A 33 33 LEU N N 33 124.500 123.327 1.173 1
1 359 . 20 1 1 A 34 34 CYS H H 34 8.260 8.201 0.059 1
1 360 . 20 1 1 A 34 34 CYS HA H 34 4.270 4.732 -0.462 1
1 363 . 20 1 1 A 34 34 CYS CA C 34 56.900 57.414 -0.514 1
1 364 . 20 1 1 A 34 34 CYS CB C 34 31.400 27.945 3.455 1
1 365 . 20 1 1 A 34 34 CYS N N 34 123.600 120.834 2.766 1
1 366 . 20 1 1 A 35 35 PRO HA H 35 4.290 4.394 -0.104 1
1 373 . 20 1 1 A 35 35 PRO C C 35 176.100 177.626 -1.526 1
1 374 . 20 1 1 A 35 35 PRO CA C 35 63.700 64.653 -0.953 1
1 375 . 20 1 1 A 35 35 PRO CB C 35 31.600 32.100 -0.500 1
1 378 . 20 1 1 A 36 36 ASP H H 36 8.980 8.771 0.209 1
1 379 . 20 1 1 A 36 36 ASP HA H 36 4.600 4.448 0.152 1
1 382 . 20 1 1 A 36 36 ASP C C 36 176.500 176.438 0.062 1
1 383 . 20 1 1 A 36 36 ASP CA C 36 56.400 55.846 0.554 1
1 384 . 20 1 1 A 36 36 ASP CB C 36 40.100 41.870 -1.770 1
1 385 . 20 1 1 A 36 36 ASP N N 36 122.200 117.713 4.487 1
1 386 . 20 1 1 A 37 37 CYS H H 37 7.840 7.701 0.139 1
1 387 . 20 1 1 A 37 37 CYS HA H 37 5.000 4.891 0.109 1
1 390 . 20 1 1 A 37 37 CYS C C 37 175.400 172.722 2.678 1
1 391 . 20 1 1 A 37 37 CYS CA C 37 58.400 57.964 0.436 1
1 392 . 20 1 1 A 37 37 CYS CB C 37 32.300 30.584 1.716 1
1 393 . 20 1 1 A 37 37 CYS N N 37 116.000 114.231 1.769 1
1 394 . 20 1 1 A 38 38 ARG H H 38 7.880 8.616 -0.736 1
1 395 . 20 1 1 A 38 38 ARG HA H 38 4.050 4.476 -0.426 1
1 402 . 20 1 1 A 38 38 ARG C C 38 173.700 174.745 -1.045 1
1 403 . 20 1 1 A 38 38 ARG CA C 38 58.100 55.487 2.613 1
1 404 . 20 1 1 A 38 38 ARG CB C 38 27.400 29.313 -1.913 1
1 407 . 20 1 1 A 38 38 ARG N N 38 117.700 127.107 -9.407 1
1 408 . 20 1 1 A 39 39 GLN H H 39 7.720 7.863 -0.143 1
1 409 . 20 1 1 A 39 39 GLN HA H 39 4.710 4.806 -0.096 1
1 414 . 20 1 1 A 39 39 GLN CA C 39 53.900 52.706 1.194 1
1 415 . 20 1 1 A 39 39 GLN CB C 39 28.100 29.471 -1.371 1
1 417 . 20 1 1 A 39 39 GLN N N 39 117.500 124.759 -7.259 1
1 418 . 20 1 1 A 40 40 PRO HA H 40 4.570 4.328 0.242 1
1 425 . 20 1 1 A 40 40 PRO C C 40 176.600 177.655 -1.055 1
1 426 . 20 1 1 A 40 40 PRO CA C 40 63.700 63.322 0.378 1
1 427 . 20 1 1 A 40 40 PRO CB C 40 31.900 32.443 -0.543 1
1 430 . 20 1 1 A 41 41 LEU H H 41 8.170 7.929 0.241 1
1 431 . 20 1 1 A 41 41 LEU HA H 41 4.460 4.070 0.390 1
1 441 . 20 1 1 A 41 41 LEU C C 41 177.200 175.514 1.686 1
1 442 . 20 1 1 A 41 41 LEU CA C 41 54.000 57.249 -3.249 1
1 443 . 20 1 1 A 41 41 LEU CB C 41 43.200 40.674 2.526 1
1 447 . 20 1 1 A 41 41 LEU N N 41 124.100 117.422 6.678 1
1 448 . 20 1 1 A 42 42 GLN H H 42 9.240 8.085 1.155 1
1 449 . 20 1 1 A 42 42 GLN HA H 42 4.490 4.698 -0.208 1
1 454 . 20 1 1 A 42 42 GLN C C 42 175.000 174.186 0.814 1
1 455 . 20 1 1 A 42 42 GLN CA C 42 55.300 55.777 -0.477 1
1 456 . 20 1 1 A 42 42 GLN CB C 42 29.600 31.250 -1.650 1
1 458 . 20 1 1 A 42 42 GLN N N 42 122.100 116.635 5.465 1
1 459 . 20 1 1 A 43 43 VAL H H 43 8.600 8.803 -0.203 1
1 460 . 20 1 1 A 43 43 VAL HA H 43 4.260 4.209 0.051 1
1 468 . 20 1 1 A 43 43 VAL C C 43 175.500 175.557 -0.057 1
1 469 . 20 1 1 A 43 43 VAL CA C 43 62.100 63.357 -1.257 1
1 470 . 20 1 1 A 43 43 VAL CB C 43 32.000 31.451 0.549 1
1 473 . 20 1 1 A 43 43 VAL N N 43 126.400 127.363 -0.963 1
1 474 . 20 1 1 A 44 44 LEU H H 44 8.940 9.555 -0.615 1
1 475 . 20 1 1 A 44 44 LEU HA H 44 4.510 4.889 -0.379 1
1 485 . 20 1 1 A 44 44 LEU C C 44 175.500 175.477 0.023 1
1 486 . 20 1 1 A 44 44 LEU CA C 44 53.400 53.967 -0.567 1
1 487 . 20 1 1 A 44 44 LEU CB C 44 42.800 41.766 1.034 1
1 491 . 20 1 1 A 44 44 LEU N N 44 130.200 129.014 1.186 1
1 492 . 20 1 1 A 45 45 LYS H H 45 8.520 8.773 -0.253 1
1 493 . 20 1 1 A 45 45 LYS HA H 45 4.830 4.677 0.153 1
1 502 . 20 1 1 A 45 45 LYS C C 45 175.600 175.530 0.070 1
1 503 . 20 1 1 A 45 45 LYS CA C 45 55.700 55.443 0.257 1
1 504 . 20 1 1 A 45 45 LYS CB C 45 33.500 32.103 1.397 1
1 508 . 20 1 1 A 45 45 LYS N N 45 123.700 124.575 -0.875 1
1 509 . 20 1 1 A 46 46 ALA H H 46 8.220 8.177 0.043 1
1 510 . 20 1 1 A 46 46 ALA HA H 46 4.540 4.656 -0.116 1
1 514 . 20 1 1 A 46 46 ALA C C 46 176.900 176.660 0.240 1
1 515 . 20 1 1 A 46 46 ALA CA C 46 51.900 50.951 0.949 1
1 516 . 20 1 1 A 46 46 ALA CB C 46 20.700 21.528 -0.828 1
1 517 . 20 1 1 A 46 46 ALA N N 46 126.400 127.663 -1.263 1
1 518 . 20 1 1 A 47 47 CYS H H 47 9.200 8.613 0.587 1
1 519 . 20 1 1 A 47 47 CYS HA H 47 4.080 4.645 -0.565 1
1 522 . 20 1 1 A 47 47 CYS C C 47 175.100 175.297 -0.197 1
1 523 . 20 1 1 A 47 47 CYS CA C 47 59.700 58.401 1.299 1
1 524 . 20 1 1 A 47 47 CYS CB C 47 25.800 27.887 -2.087 1
1 525 . 20 1 1 A 47 47 CYS N N 47 120.400 119.296 1.104 1
1 526 . 20 1 1 A 48 48 GLY H H 48 8.620 8.202 0.418 1
1 527 . 20 1 1 A 48 48 GLY HA2 H 48 3.670 4.010 -0.340 1
1 528 . 20 1 1 A 48 48 GLY HA3 H 48 4.070 4.013 0.057 1
1 529 . 20 1 1 A 48 48 GLY C C 48 173.100 173.286 -0.186 1
1 530 . 20 1 1 A 48 48 GLY CA C 48 45.500 45.212 0.288 1
1 531 . 20 1 1 A 48 48 GLY N N 48 109.000 113.880 -4.880 1
1 532 . 20 1 1 A 49 49 ALA H H 49 7.820 7.613 0.207 1
1 533 . 20 1 1 A 49 49 ALA HA H 49 4.620 4.718 -0.098 1
1 537 . 20 1 1 A 49 49 ALA C C 49 176.000 175.297 0.703 1
1 538 . 20 1 1 A 49 49 ALA CA C 49 51.000 51.218 -0.218 1
1 539 . 20 1 1 A 49 49 ALA CB C 49 21.300 22.493 -1.193 1
1 540 . 20 1 1 A 49 49 ALA N N 49 124.000 120.370 3.630 1
1 541 . 20 1 1 A 50 50 VAL H H 50 8.100 8.644 -0.544 1
1 542 . 20 1 1 A 50 50 VAL HA H 50 4.560 5.035 -0.475 1
1 550 . 20 1 1 A 50 50 VAL C C 50 174.300 174.442 -0.142 1
1 551 . 20 1 1 A 50 50 VAL CA C 50 61.400 60.153 1.247 1
1 552 . 20 1 1 A 50 50 VAL CB C 50 33.800 33.966 -0.166 1
1 555 . 20 1 1 A 50 50 VAL N N 50 119.600 114.188 5.412 1
1 556 . 20 1 1 A 51 51 ASP H H 51 8.640 8.917 -0.277 1
1 557 . 20 1 1 A 51 51 ASP HA H 51 5.030 5.196 -0.166 1
1 560 . 20 1 1 A 51 51 ASP C C 51 173.000 174.423 -1.423 1
1 561 . 20 1 1 A 51 51 ASP CA C 51 52.000 52.733 -0.733 1
1 562 . 20 1 1 A 51 51 ASP CB C 51 43.900 43.767 0.133 1
1 563 . 20 1 1 A 51 51 ASP N N 51 124.900 126.949 -2.049 1
1 564 . 20 1 1 A 52 52 TYR H H 52 8.950 8.667 0.283 1
1 565 . 20 1 1 A 52 52 TYR HA H 52 5.150 5.626 -0.476 1
1 572 . 20 1 1 A 52 52 TYR C C 52 174.500 174.915 -0.415 1
1 573 . 20 1 1 A 52 52 TYR CA C 52 57.300 55.941 1.359 1
1 574 . 20 1 1 A 52 52 TYR CB C 52 41.200 40.049 1.151 1
1 579 . 20 1 1 A 52 52 TYR N N 52 118.500 120.060 -1.560 1
1 580 . 20 1 1 A 53 53 PHE H H 53 9.250 8.821 0.429 1
1 581 . 20 1 1 A 53 53 PHE HA H 53 5.040 4.841 0.199 1
1 588 . 20 1 1 A 53 53 PHE C C 53 173.200 174.314 -1.114 1
1 589 . 20 1 1 A 53 53 PHE CA C 53 56.400 58.167 -1.767 1
1 590 . 20 1 1 A 53 53 PHE CB C 53 44.300 41.468 2.832 1
1 595 . 20 1 1 A 53 53 PHE N N 53 123.100 123.492 -0.392 1
1 596 . 20 1 1 A 54 54 CYS H H 54 9.160 8.814 0.346 1
1 597 . 20 1 1 A 54 54 CYS HA H 54 4.690 4.377 0.313 1
1 600 . 20 1 1 A 54 54 CYS C C 54 175.700 174.305 1.395 1
1 601 . 20 1 1 A 54 54 CYS CA C 54 58.200 57.962 0.238 1
1 602 . 20 1 1 A 54 54 CYS CB C 54 29.600 25.705 3.895 1
1 603 . 20 1 1 A 54 54 CYS N N 54 130.800 126.595 4.205 1
1 604 . 20 1 1 A 55 55 GLN H H 55 9.260 8.192 1.068 1
1 605 . 20 1 1 A 55 55 GLN HA H 55 4.300 3.938 0.362 1
1 610 . 20 1 1 A 55 55 GLN C C 55 174.400 177.782 -3.382 1
1 611 . 20 1 1 A 55 55 GLN CA C 55 56.900 58.773 -1.873 1
1 612 . 20 1 1 A 55 55 GLN CB C 55 28.900 28.834 0.066 1
1 614 . 20 1 1 A 55 55 GLN N N 55 129.000 124.987 4.013 1
1 615 . 20 1 1 A 56 56 ASN H H 56 9.100 8.012 1.088 1
1 616 . 20 1 1 A 56 56 ASN HA H 56 4.860 4.919 -0.059 1
1 619 . 20 1 1 A 56 56 ASN C C 56 174.100 177.048 -2.948 1
1 620 . 20 1 1 A 56 56 ASN CA C 56 52.100 54.546 -2.446 1
1 621 . 20 1 1 A 56 56 ASN CB C 56 39.500 39.525 -0.025 1
1 622 . 20 1 1 A 56 56 ASN N N 56 122.300 116.583 5.717 1
1 623 . 20 1 1 A 57 57 GLY H H 57 7.180 8.179 -0.999 1
1 624 . 20 1 1 A 57 57 GLY HA2 H 57 3.450 3.941 -0.491 1
1 625 . 20 1 1 A 57 57 GLY HA3 H 57 4.000 3.950 0.050 1
1 626 . 20 1 1 A 57 57 GLY C C 57 175.800 174.304 1.496 1
1 627 . 20 1 1 A 57 57 GLY CA C 57 45.100 46.142 -1.042 1
1 628 . 20 1 1 A 57 57 GLY N N 57 104.200 106.020 -1.820 1
1 629 . 20 1 1 A 58 58 HIS H H 58 7.380 7.762 -0.382 1
1 630 . 20 1 1 A 58 58 HIS HA H 58 4.620 4.688 -0.068 1
1 633 . 20 1 1 A 58 58 HIS C C 58 174.100 174.148 -0.048 1
1 634 . 20 1 1 A 58 58 HIS CA C 58 59.600 56.971 2.629 1
1 635 . 20 1 1 A 58 58 HIS CB C 58 30.100 31.523 -1.423 1
1 636 . 20 1 1 A 58 58 HIS N N 58 116.000 118.083 -2.083 1
1 637 . 20 1 1 A 59 59 GLY H H 59 7.610 7.106 0.504 1
1 638 . 20 1 1 A 59 59 GLY HA2 H 59 2.930 3.979 -1.049 1
1 639 . 20 1 1 A 59 59 GLY HA3 H 59 3.700 4.034 -0.334 1
1 640 . 20 1 1 A 59 59 GLY C C 59 173.100 173.177 -0.077 1
1 641 . 20 1 1 A 59 59 GLY CA C 59 45.500 45.412 0.088 1
1 642 . 20 1 1 A 59 59 GLY N N 59 108.000 105.279 2.721 1
1 643 . 20 1 1 A 60 60 LEU H H 60 8.450 8.466 -0.016 1
1 644 . 20 1 1 A 60 60 LEU HA H 60 4.620 3.653 0.967 1
1 654 . 20 1 1 A 60 60 LEU C C 60 176.800 176.397 0.403 1
1 655 . 20 1 1 A 60 60 LEU CA C 60 55.700 54.133 1.567 1
1 656 . 20 1 1 A 60 60 LEU CB C 60 42.200 41.329 0.871 1
1 660 . 20 1 1 A 60 60 LEU N N 60 124.300 121.111 3.189 1
1 661 . 20 1 1 A 61 61 ILE H H 61 8.740 7.730 1.010 1
1 662 . 20 1 1 A 61 61 ILE HA H 61 4.200 3.977 0.223 1
1 672 . 20 1 1 A 61 61 ILE C C 61 175.500 176.070 -0.570 1
1 673 . 20 1 1 A 61 61 ILE CA C 61 57.000 61.633 -4.633 1
1 674 . 20 1 1 A 61 61 ILE CB C 61 37.400 37.867 -0.467 1
1 678 . 20 1 1 A 61 61 ILE N N 61 128.500 126.233 2.267 1
1 679 . 20 1 1 A 62 62 SER H H 62 8.490 8.612 -0.122 1
1 680 . 20 1 1 A 62 62 SER HA H 62 4.380 4.596 -0.216 1
1 683 . 20 1 1 A 62 62 SER C C 62 176.500 175.224 1.276 1
1 684 . 20 1 1 A 62 62 SER CA C 62 58.300 60.225 -1.925 1
1 685 . 20 1 1 A 62 62 SER CB C 62 63.500 63.606 -0.106 1
1 686 . 20 1 1 A 62 62 SER N N 62 121.700 122.178 -0.478 1
1 687 . 20 1 1 A 63 63 LYS H H 63 9.040 9.076 -0.036 1
1 688 . 20 1 1 A 63 63 LYS HA H 63 3.910 4.370 -0.460 1
1 697 . 20 1 1 A 63 63 LYS C C 63 178.200 178.923 -0.723 1
1 698 . 20 1 1 A 63 63 LYS CA C 63 60.300 59.099 1.201 1
1 699 . 20 1 1 A 63 63 LYS CB C 63 32.000 32.356 -0.356 1
1 703 . 20 1 1 A 63 63 LYS N N 63 126.000 125.458 0.542 1
1 704 . 20 1 1 A 64 64 LYS H H 64 8.090 7.987 0.103 1
1 705 . 20 1 1 A 64 64 LYS HA H 64 4.190 4.148 0.042 1
1 714 . 20 1 1 A 64 64 LYS C C 64 177.000 177.795 -0.795 1
1 715 . 20 1 1 A 64 64 LYS CA C 64 58.000 59.099 -1.099 1
1 716 . 20 1 1 A 64 64 LYS CB C 64 32.300 32.221 0.079 1
1 720 . 20 1 1 A 64 64 LYS N N 64 115.400 119.885 -4.485 1
1 721 . 20 1 1 A 65 65 ARG H H 65 7.960 8.072 -0.112 1
1 722 . 20 1 1 A 65 65 ARG HA H 65 4.280 4.508 -0.228 1
1 729 . 20 1 1 A 65 65 ARG C C 65 176.000 176.028 -0.028 1
1 730 . 20 1 1 A 65 65 ARG CA C 65 55.900 55.483 0.417 1
1 731 . 20 1 1 A 65 65 ARG CB C 65 32.000 31.281 0.719 1
1 734 . 20 1 1 A 65 65 ARG N N 65 116.600 116.627 -0.027 1
1 735 . 20 1 1 A 66 66 VAL H H 66 6.810 7.440 -0.630 1
1 736 . 20 1 1 A 66 66 VAL HA H 66 2.800 3.908 -1.108 1
1 744 . 20 1 1 A 66 66 VAL C C 66 174.500 175.530 -1.030 1
1 745 . 20 1 1 A 66 66 VAL CA C 66 65.000 62.663 2.337 1
1 746 . 20 1 1 A 66 66 VAL CB C 66 32.000 32.140 -0.140 1
1 749 . 20 1 1 A 66 66 VAL N N 66 119.600 120.818 -1.218 1
1 750 . 20 1 1 A 67 67 ASN H H 67 7.270 8.568 -1.298 1
1 751 . 20 1 1 A 67 67 ASN HA H 67 4.840 4.975 -0.135 1
1 756 . 20 1 1 A 67 67 ASN C C 67 173.200 174.104 -0.904 1
1 757 . 20 1 1 A 67 67 ASN CA C 67 51.200 53.024 -1.824 1
1 758 . 20 1 1 A 67 67 ASN CB C 67 39.100 38.030 1.070 1
1 759 . 20 1 1 A 67 67 ASN N N 67 123.500 126.242 -2.742 1
1 761 . 20 1 1 A 68 68 PHE H H 68 8.180 8.701 -0.521 1
1 762 . 20 1 1 A 68 68 PHE HA H 68 5.170 5.353 -0.183 1
1 770 . 20 1 1 A 68 68 PHE C C 68 175.300 175.494 -0.194 1
1 771 . 20 1 1 A 68 68 PHE CA C 68 58.000 57.539 0.461 1
1 772 . 20 1 1 A 68 68 PHE CB C 68 41.100 38.385 2.715 1
1 778 . 20 1 1 A 68 68 PHE N N 68 123.300 124.295 -0.995 1
1 779 . 20 1 1 A 69 69 VAL H H 69 8.660 8.633 0.027 1
1 780 . 20 1 1 A 69 69 VAL HA H 69 4.520 4.946 -0.426 1
1 788 . 20 1 1 A 69 69 VAL C C 69 175.100 175.090 0.010 1
1 789 . 20 1 1 A 69 69 VAL CA C 69 59.200 58.968 0.232 1
1 790 . 20 1 1 A 69 69 VAL CB C 69 35.100 35.490 -0.390 1
1 793 . 20 1 1 A 69 69 VAL N N 69 116.500 117.559 -1.059 1
1 794 . 20 1 1 A 70 70 ILE H H 70 8.480 8.473 0.007 1
1 795 . 20 1 1 A 70 70 ILE HA H 70 4.350 4.044 0.306 1
1 805 . 20 1 1 A 70 70 ILE C C 70 176.400 175.696 0.704 1
1 806 . 20 1 1 A 70 70 ILE CA C 70 61.300 62.623 -1.323 1
1 807 . 20 1 1 A 70 70 ILE CB C 70 38.200 37.974 0.226 1
1 811 . 20 1 1 A 70 70 ILE N N 70 123.100 123.030 0.070 1
1 812 . 20 1 1 A 71 71 SER H H 71 8.770 8.248 0.522 1
1 813 . 20 1 1 A 71 71 SER HA H 71 4.550 4.694 -0.144 1
1 816 . 20 1 1 A 71 71 SER C C 71 174.200 172.826 1.374 1
1 817 . 20 1 1 A 71 71 SER CA C 71 57.700 56.915 0.785 1
1 818 . 20 1 1 A 71 71 SER CB C 71 64.100 62.865 1.235 1
1 819 . 20 1 1 A 71 71 SER N N 71 122.200 123.111 -0.911 1
1 820 . 20 1 1 A 72 72 ASP H H 72 8.470 8.255 0.215 1
1 821 . 20 1 1 A 72 72 ASP HA H 72 4.720 4.928 -0.208 1
1 824 . 20 1 1 A 72 72 ASP C C 72 176.100 175.282 0.818 1
1 825 . 20 1 1 A 72 72 ASP CA C 72 54.200 53.797 0.403 1
1 826 . 20 1 1 A 72 72 ASP CB C 72 41.200 41.391 -0.191 1
1 827 . 20 1 1 A 72 72 ASP N N 72 122.700 126.448 -3.748 1
1 828 . 20 1 1 A 73 73 GLN H H 73 8.490 8.639 -0.149 1
1 829 . 20 1 1 A 73 73 GLN HA H 73 4.310 4.560 -0.250 1
1 834 . 20 1 1 A 73 73 GLN C C 73 176.000 175.085 0.915 1
1 835 . 20 1 1 A 73 73 GLN CA C 73 56.100 57.266 -1.166 1
1 836 . 20 1 1 A 73 73 GLN CB C 73 29.200 31.455 -2.255 1
1 838 . 20 1 1 A 73 73 GLN N N 73 120.300 123.407 -3.107 1
1 839 . 20 1 1 A 74 74 LEU H H 74 8.250 7.851 0.399 1
1 840 . 20 1 1 A 74 74 LEU HA H 74 4.250 4.700 -0.450 1
1 850 . 20 1 1 A 74 74 LEU C C 74 177.100 175.575 1.525 1
1 851 . 20 1 1 A 74 74 LEU CA C 74 55.200 53.946 1.254 1
1 852 . 20 1 1 A 74 74 LEU CB C 74 42.100 44.148 -2.048 1
1 856 . 20 1 1 A 74 74 LEU N N 74 123.000 120.242 2.758 1
1 857 . 20 1 1 A 75 75 GLU H H 75 8.260 9.000 -0.740 1
1 858 . 20 1 1 A 75 75 GLU HA H 75 4.170 4.563 -0.393 1
1 863 . 20 1 1 A 75 75 GLU C C 75 176.200 176.474 -0.274 1
1 864 . 20 1 1 A 75 75 GLU CA C 75 56.300 57.939 -1.639 1
1 865 . 20 1 1 A 75 75 GLU CB C 75 29.800 32.694 -2.894 1
1 867 . 20 1 1 A 75 75 GLU N N 75 120.700 128.449 -7.749 1
1 868 . 20 1 1 A 76 76 HIS H H 76 8.480 7.887 0.593 1
1 869 . 20 1 1 A 76 76 HIS HA H 76 4.610 4.664 -0.054 1
1 872 . 20 1 1 A 76 76 HIS C C 76 174.200 175.474 -1.274 1
1 873 . 20 1 1 A 76 76 HIS CA C 76 55.100 57.331 -2.231 1
1 874 . 20 1 1 A 76 76 HIS CB C 76 28.700 30.273 -1.573 1
1 875 . 20 1 1 A 76 76 HIS N N 76 119.100 117.899 1.201 1
1 876 . 20 1 1 A 77 77 HIS H H 77 8.540 8.919 -0.379 1
1 877 . 20 1 1 A 77 77 HIS HA H 77 4.620 4.825 -0.205 1
1 880 . 20 1 1 A 77 77 HIS C C 77 174.100 175.383 -1.283 1
1 881 . 20 1 1 A 77 77 HIS CA C 77 55.300 55.902 -0.602 1
1 882 . 20 1 1 A 77 77 HIS CB C 77 28.900 30.389 -1.489 1
1 883 . 20 1 1 A 77 77 HIS N N 77 118.700 120.789 -2.089 1
1 884 . 20 1 1 A 78 78 HIS H H 78 8.630 8.516 0.114 1
1 885 . 20 1 1 A 78 78 HIS HA H 78 4.660 5.045 -0.385 1
1 888 . 20 1 1 A 78 78 HIS C C 78 174.100 174.656 -0.556 1
1 889 . 20 1 1 A 78 78 HIS CA C 78 55.200 56.052 -0.852 1
1 890 . 20 1 1 A 78 78 HIS CB C 78 29.100 32.573 -3.473 1
1 891 . 20 1 1 A 78 78 HIS N N 78 119.500 121.451 -1.951 1
1 892 . 20 1 1 A 79 79 HIS H H 79 8.690 9.166 -0.476 1
1 893 . 20 1 1 A 79 79 HIS HA H 79 4.660 3.961 0.699 1
1 896 . 20 1 1 A 79 79 HIS C C 79 173.900 176.108 -2.208 1
1 897 . 20 1 1 A 79 79 HIS CA C 79 55.200 59.078 -3.878 1
1 898 . 20 1 1 A 79 79 HIS CB C 79 29.100 29.932 -0.832 1
1 899 . 20 1 1 A 79 79 HIS N N 79 120.400 123.574 -3.174 1
1 900 . 20 1 1 A 80 80 HIS H H 80 8.590 8.169 0.421 1
1 901 . 20 1 1 A 80 80 HIS HA H 80 4.630 4.671 -0.041 1
1 904 . 20 1 1 A 80 80 HIS C C 80 173.400 175.225 -1.825 1
1 905 . 20 1 1 A 80 80 HIS CA C 80 55.400 57.044 -1.644 1
1 906 . 20 1 1 A 80 80 HIS CB C 80 29.300 31.402 -2.102 1
1 907 . 20 1 1 A 80 80 HIS N N 80 120.600 112.563 8.037 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 72 1.203 1
2 1 1 1 "RMS(OBS, PRED)" CA 79 1.425 1
3 1 1 1 "RMS(OBS, PRED)" CB 75 1.916 1
4 1 1 1 "RMS(OBS, PRED)" H 72 0.601 1
5 1 1 1 "RMS(OBS, PRED)" HA 83 0.357 1
6 1 1 1 "RMS(OBS, PRED)" N 72 4.253 1
7 1 2 1 "RMS(OBS, PRED)" C 72 1.043 1
8 1 2 1 "RMS(OBS, PRED)" CA 79 1.376 1
9 1 2 1 "RMS(OBS, PRED)" CB 75 1.957 1
10 1 2 1 "RMS(OBS, PRED)" H 72 0.695 1
11 1 2 1 "RMS(OBS, PRED)" HA 83 0.341 1
12 1 2 1 "RMS(OBS, PRED)" N 72 3.582 1
13 1 3 1 "RMS(OBS, PRED)" C 72 1.023 1
14 1 3 1 "RMS(OBS, PRED)" CA 79 1.507 1
15 1 3 1 "RMS(OBS, PRED)" CB 75 1.870 1
16 1 3 1 "RMS(OBS, PRED)" H 72 0.576 1
17 1 3 1 "RMS(OBS, PRED)" HA 83 0.362 1
18 1 3 1 "RMS(OBS, PRED)" N 72 3.806 1
19 1 4 1 "RMS(OBS, PRED)" C 72 1.092 1
20 1 4 1 "RMS(OBS, PRED)" CA 79 1.291 1
21 1 4 1 "RMS(OBS, PRED)" CB 75 1.841 1
22 1 4 1 "RMS(OBS, PRED)" H 72 0.587 1
23 1 4 1 "RMS(OBS, PRED)" HA 83 0.386 1
24 1 4 1 "RMS(OBS, PRED)" N 72 3.898 1
25 1 5 1 "RMS(OBS, PRED)" C 72 1.127 1
26 1 5 1 "RMS(OBS, PRED)" CA 79 1.456 1
27 1 5 1 "RMS(OBS, PRED)" CB 75 1.914 1
28 1 5 1 "RMS(OBS, PRED)" H 72 0.645 1
29 1 5 1 "RMS(OBS, PRED)" HA 83 0.366 1
30 1 5 1 "RMS(OBS, PRED)" N 72 4.065 1
31 1 6 1 "RMS(OBS, PRED)" C 72 0.917 1
32 1 6 1 "RMS(OBS, PRED)" CA 79 1.334 1
33 1 6 1 "RMS(OBS, PRED)" CB 75 1.811 1
34 1 6 1 "RMS(OBS, PRED)" H 72 0.621 1
35 1 6 1 "RMS(OBS, PRED)" HA 83 0.368 1
36 1 6 1 "RMS(OBS, PRED)" N 72 3.874 1
37 1 7 1 "RMS(OBS, PRED)" C 72 1.104 1
38 1 7 1 "RMS(OBS, PRED)" CA 79 1.344 1
39 1 7 1 "RMS(OBS, PRED)" CB 75 1.959 1
40 1 7 1 "RMS(OBS, PRED)" H 72 0.645 1
41 1 7 1 "RMS(OBS, PRED)" HA 83 0.362 1
42 1 7 1 "RMS(OBS, PRED)" N 72 4.572 1
43 1 8 1 "RMS(OBS, PRED)" C 72 0.910 1
44 1 8 1 "RMS(OBS, PRED)" CA 79 1.294 1
45 1 8 1 "RMS(OBS, PRED)" CB 75 1.778 1
46 1 8 1 "RMS(OBS, PRED)" H 72 0.592 1
47 1 8 1 "RMS(OBS, PRED)" HA 83 0.339 1
48 1 8 1 "RMS(OBS, PRED)" N 72 3.718 1
49 1 9 1 "RMS(OBS, PRED)" C 72 1.086 1
50 1 9 1 "RMS(OBS, PRED)" CA 79 1.596 1
51 1 9 1 "RMS(OBS, PRED)" CB 75 1.741 1
52 1 9 1 "RMS(OBS, PRED)" H 72 0.636 1
53 1 9 1 "RMS(OBS, PRED)" HA 83 0.385 1
54 1 9 1 "RMS(OBS, PRED)" N 72 3.908 1
55 1 10 1 "RMS(OBS, PRED)" C 72 1.138 1
56 1 10 1 "RMS(OBS, PRED)" CA 79 1.346 1
57 1 10 1 "RMS(OBS, PRED)" CB 75 1.757 1
58 1 10 1 "RMS(OBS, PRED)" H 72 0.580 1
59 1 10 1 "RMS(OBS, PRED)" HA 83 0.373 1
60 1 10 1 "RMS(OBS, PRED)" N 72 3.841 1
61 1 11 1 "RMS(OBS, PRED)" C 72 1.189 1
62 1 11 1 "RMS(OBS, PRED)" CA 79 1.382 1
63 1 11 1 "RMS(OBS, PRED)" CB 75 1.872 1
64 1 11 1 "RMS(OBS, PRED)" H 72 0.567 1
65 1 11 1 "RMS(OBS, PRED)" HA 83 0.351 1
66 1 11 1 "RMS(OBS, PRED)" N 72 3.936 1
67 1 12 1 "RMS(OBS, PRED)" C 72 1.044 1
68 1 12 1 "RMS(OBS, PRED)" CA 79 1.525 1
69 1 12 1 "RMS(OBS, PRED)" CB 75 1.747 1
70 1 12 1 "RMS(OBS, PRED)" H 72 0.627 1
71 1 12 1 "RMS(OBS, PRED)" HA 83 0.360 1
72 1 12 1 "RMS(OBS, PRED)" N 72 3.714 1
73 1 13 1 "RMS(OBS, PRED)" C 72 1.103 1
74 1 13 1 "RMS(OBS, PRED)" CA 79 1.508 1
75 1 13 1 "RMS(OBS, PRED)" CB 75 1.906 1
76 1 13 1 "RMS(OBS, PRED)" H 72 0.645 1
77 1 13 1 "RMS(OBS, PRED)" HA 83 0.376 1
78 1 13 1 "RMS(OBS, PRED)" N 72 4.044 1
79 1 14 1 "RMS(OBS, PRED)" C 72 0.993 1
80 1 14 1 "RMS(OBS, PRED)" CA 79 1.312 1
81 1 14 1 "RMS(OBS, PRED)" CB 75 1.750 1
82 1 14 1 "RMS(OBS, PRED)" H 72 0.621 1
83 1 14 1 "RMS(OBS, PRED)" HA 83 0.356 1
84 1 14 1 "RMS(OBS, PRED)" N 72 3.944 1
85 1 15 1 "RMS(OBS, PRED)" C 72 1.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 79 1.561 1
87 1 15 1 "RMS(OBS, PRED)" CB 75 2.188 1
88 1 15 1 "RMS(OBS, PRED)" H 72 0.658 1
89 1 15 1 "RMS(OBS, PRED)" HA 83 0.400 1
90 1 15 1 "RMS(OBS, PRED)" N 72 4.193 1
91 1 16 1 "RMS(OBS, PRED)" C 72 1.063 1
92 1 16 1 "RMS(OBS, PRED)" CA 79 1.444 1
93 1 16 1 "RMS(OBS, PRED)" CB 75 1.775 1
94 1 16 1 "RMS(OBS, PRED)" H 72 0.659 1
95 1 16 1 "RMS(OBS, PRED)" HA 83 0.384 1
96 1 16 1 "RMS(OBS, PRED)" N 72 3.760 1
97 1 17 1 "RMS(OBS, PRED)" C 72 1.162 1
98 1 17 1 "RMS(OBS, PRED)" CA 79 1.358 1
99 1 17 1 "RMS(OBS, PRED)" CB 75 1.951 1
100 1 17 1 "RMS(OBS, PRED)" H 72 0.599 1
101 1 17 1 "RMS(OBS, PRED)" HA 83 0.368 1
102 1 17 1 "RMS(OBS, PRED)" N 72 3.853 1
103 1 18 1 "RMS(OBS, PRED)" C 72 1.082 1
104 1 18 1 "RMS(OBS, PRED)" CA 79 1.485 1
105 1 18 1 "RMS(OBS, PRED)" CB 75 1.877 1
106 1 18 1 "RMS(OBS, PRED)" H 72 0.621 1
107 1 18 1 "RMS(OBS, PRED)" HA 83 0.383 1
108 1 18 1 "RMS(OBS, PRED)" N 72 3.766 1
109 1 19 1 "RMS(OBS, PRED)" C 72 1.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 79 1.443 1
111 1 19 1 "RMS(OBS, PRED)" CB 75 1.936 1
112 1 19 1 "RMS(OBS, PRED)" H 72 0.668 1
113 1 19 1 "RMS(OBS, PRED)" HA 83 0.385 1
114 1 19 1 "RMS(OBS, PRED)" N 72 4.005 1
115 1 20 1 "RMS(OBS, PRED)" C 72 1.138 1
116 1 20 1 "RMS(OBS, PRED)" CA 79 1.636 1
117 1 20 1 "RMS(OBS, PRED)" CB 75 1.815 1
118 1 20 1 "RMS(OBS, PRED)" H 72 0.575 1
119 1 20 1 "RMS(OBS, PRED)" HA 83 0.379 1
120 1 20 1 "RMS(OBS, PRED)" N 72 3.865 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 7 . 1 1 A 2 2 GLU H H 2 8.850 8.360 0.490 2
1 8 . 1 1 A 2 2 GLU HA H 2 4.450 4.593 -0.143 2
1 13 . 1 1 A 2 2 GLU C C 2 175.400 175.851 -0.451 2
1 14 . 1 1 A 2 2 GLU CA C 2 55.900 56.058 -0.158 2
1 15 . 1 1 A 2 2 GLU CB C 2 30.300 30.985 -0.685 2
1 17 . 1 1 A 2 2 GLU N N 2 123.600 120.532 3.068 2
1 18 . 1 1 A 3 3 ILE H H 3 8.590 8.458 0.132 2
1 19 . 1 1 A 3 3 ILE HA H 3 4.310 4.273 0.037 2
1 29 . 1 1 A 3 3 ILE C C 3 175.100 175.505 -0.405 2
1 30 . 1 1 A 3 3 ILE CA C 3 60.700 61.664 -0.964 2
1 31 . 1 1 A 3 3 ILE CB C 3 39.500 38.200 1.300 2
1 35 . 1 1 A 3 3 ILE N N 3 122.100 122.269 -0.169 2
1 36 . 1 1 A 4 4 THR H H 4 8.130 8.627 -0.497 2
1 37 . 1 1 A 4 4 THR HA H 4 4.540 4.860 -0.320 2
1 42 . 1 1 A 4 4 THR C C 4 173.000 173.212 -0.212 2
1 43 . 1 1 A 4 4 THR CA C 4 59.700 61.016 -1.316 2
1 44 . 1 1 A 4 4 THR CB C 4 71.400 70.601 0.799 2
1 46 . 1 1 A 4 4 THR N N 4 116.800 118.427 -1.627 2
1 47 . 1 1 A 5 5 CYS H H 5 8.700 8.559 0.141 2
1 48 . 1 1 A 5 5 CYS HA H 5 3.960 4.494 -0.534 2
1 51 . 1 1 A 5 5 CYS CA C 5 56.800 57.277 -0.477 2
1 52 . 1 1 A 5 5 CYS CB C 5 32.000 28.176 3.824 2
1 53 . 1 1 A 5 5 CYS N N 5 125.600 124.209 1.391 2
1 54 . 1 1 A 6 6 PRO HA H 6 4.260 4.379 -0.119 2
1 61 . 1 1 A 6 6 PRO C C 6 176.000 177.591 -1.591 2
1 62 . 1 1 A 6 6 PRO CA C 6 63.900 64.720 -0.820 2
1 63 . 1 1 A 6 6 PRO CB C 6 32.100 31.767 0.333 2
1 66 . 1 1 A 7 7 VAL H H 7 9.210 7.830 1.380 2
1 67 . 1 1 A 7 7 VAL HA H 7 3.820 4.152 -0.332 2
1 75 . 1 1 A 7 7 VAL CA C 7 64.900 63.025 1.875 2
1 76 . 1 1 A 7 7 VAL CB C 7 32.200 32.465 -0.265 2
1 79 . 1 1 A 7 7 VAL N N 7 122.500 115.099 7.401 2
1 80 . 1 1 A 8 8 CYS HA H 8 4.560 4.622 -0.062 2
1 83 . 1 1 A 8 8 CYS C C 8 176.800 174.589 2.211 2
1 84 . 1 1 A 8 8 CYS CA C 8 58.900 58.703 0.197 2
1 85 . 1 1 A 8 8 CYS CB C 8 32.000 28.551 3.449 2
1 86 . 1 1 A 9 9 HIS H H 9 7.550 8.409 -0.859 2
1 87 . 1 1 A 9 9 HIS HA H 9 4.470 4.521 -0.051 2
1 91 . 1 1 A 9 9 HIS CA C 9 56.900 56.766 0.134 2
1 92 . 1 1 A 9 9 HIS CB C 9 25.900 28.717 -2.817 2
1 94 . 1 1 A 9 9 HIS N N 9 115.000 120.964 -5.964 2
1 95 . 1 1 A 10 10 HIS HA H 10 4.790 4.662 0.128 2
1 100 . 1 1 A 10 10 HIS C C 10 174.700 174.325 0.375 2
1 101 . 1 1 A 10 10 HIS CA C 10 55.700 55.843 -0.143 2
1 102 . 1 1 A 10 10 HIS CB C 10 29.800 31.622 -1.821 2
1 105 . 1 1 A 11 11 ALA H H 11 8.790 8.020 0.770 2
1 106 . 1 1 A 11 11 ALA HA H 11 4.310 4.404 -0.094 2
1 110 . 1 1 A 11 11 ALA C C 11 177.800 176.460 1.340 2
1 111 . 1 1 A 11 11 ALA CA C 11 53.400 52.123 1.277 2
1 112 . 1 1 A 11 11 ALA CB C 11 18.600 20.212 -1.612 2
1 113 . 1 1 A 11 11 ALA N N 11 124.500 122.508 1.992 2
1 114 . 1 1 A 12 12 LEU H H 12 8.480 8.599 -0.119 2
1 115 . 1 1 A 12 12 LEU HA H 12 4.640 4.868 -0.228 2
1 125 . 1 1 A 12 12 LEU C C 12 176.900 175.936 0.964 2
1 126 . 1 1 A 12 12 LEU CA C 12 53.500 53.791 -0.291 2
1 127 . 1 1 A 12 12 LEU CB C 12 44.100 43.915 0.185 2
1 131 . 1 1 A 12 12 LEU N N 12 121.200 121.569 -0.369 2
1 132 . 1 1 A 13 13 GLU H H 13 8.600 8.790 -0.190 2
1 133 . 1 1 A 13 13 GLU HA H 13 4.590 4.789 -0.199 2
1 138 . 1 1 A 13 13 GLU C C 13 175.700 175.600 0.100 2
1 139 . 1 1 A 13 13 GLU CA C 13 54.700 55.550 -0.850 2
1 140 . 1 1 A 13 13 GLU CB C 13 30.200 31.218 -1.018 2
1 142 . 1 1 A 13 13 GLU N N 13 120.300 123.262 -2.962 2
1 143 . 1 1 A 14 14 ARG H H 14 9.010 8.651 0.359 2
1 144 . 1 1 A 14 14 ARG HA H 14 4.460 4.679 -0.219 2
1 151 . 1 1 A 14 14 ARG C C 14 174.900 175.999 -1.099 2
1 152 . 1 1 A 14 14 ARG CA C 14 56.400 55.923 0.477 2
1 153 . 1 1 A 14 14 ARG CB C 14 31.800 30.676 1.124 2
1 156 . 1 1 A 14 14 ARG N N 14 126.500 126.660 -0.160 2
1 157 . 1 1 A 15 15 ASN H H 15 8.670 9.134 -0.464 2
1 158 . 1 1 A 15 15 ASN HA H 15 4.850 4.849 0.001 2
1 161 . 1 1 A 15 15 ASN C C 15 174.900 175.470 -0.570 2
1 162 . 1 1 A 15 15 ASN CA C 15 52.100 52.903 -0.803 2
1 163 . 1 1 A 15 15 ASN CB C 15 39.200 39.197 0.003 2
1 164 . 1 1 A 15 15 ASN N N 15 125.100 123.715 1.385 2
1 165 . 1 1 A 16 16 GLY H H 16 8.880 8.038 0.842 2
1 166 . 1 1 A 16 16 GLY HA2 H 16 3.570 3.932 -0.362 2
1 167 . 1 1 A 16 16 GLY HA3 H 16 4.000 3.959 0.041 2
1 168 . 1 1 A 16 16 GLY C C 16 173.700 174.330 -0.630 2
1 169 . 1 1 A 16 16 GLY CA C 16 47.200 46.083 1.117 2
1 170 . 1 1 A 16 16 GLY N N 16 114.400 108.937 5.463 2
1 171 . 1 1 A 17 17 ASP H H 17 8.600 8.591 0.009 2
1 172 . 1 1 A 17 17 ASP HA H 17 4.600 4.597 0.003 2
1 175 . 1 1 A 17 17 ASP C C 17 174.800 175.382 -0.582 2
1 176 . 1 1 A 17 17 ASP CA C 17 53.800 55.068 -1.268 2
1 177 . 1 1 A 17 17 ASP CB C 17 40.200 41.352 -1.152 2
1 178 . 1 1 A 17 17 ASP N N 17 126.400 123.550 2.850 2
1 179 . 1 1 A 18 18 THR H H 18 7.710 7.751 -0.041 2
1 180 . 1 1 A 18 18 THR HA H 18 5.120 5.080 0.040 2
1 185 . 1 1 A 18 18 THR C C 18 171.900 172.920 -1.020 2
1 186 . 1 1 A 18 18 THR CA C 18 60.400 60.539 -0.139 2
1 187 . 1 1 A 18 18 THR CB C 18 72.300 71.768 0.532 2
1 189 . 1 1 A 18 18 THR N N 18 112.300 112.145 0.155 2
1 190 . 1 1 A 19 19 ALA H H 19 9.090 9.253 -0.163 2
1 191 . 1 1 A 19 19 ALA HA H 19 5.250 5.364 -0.114 2
1 195 . 1 1 A 19 19 ALA C C 19 175.000 175.584 -0.584 2
1 196 . 1 1 A 19 19 ALA CA C 19 50.300 50.222 0.078 2
1 197 . 1 1 A 19 19 ALA CB C 19 23.900 21.332 2.568 2
1 198 . 1 1 A 19 19 ALA N N 19 123.300 126.392 -3.092 2
1 199 . 1 1 A 20 20 HIS H H 20 9.130 9.303 -0.173 2
1 200 . 1 1 A 20 20 HIS HA H 20 5.550 5.096 0.454 2
1 205 . 1 1 A 20 20 HIS C C 20 173.100 173.824 -0.724 2
1 206 . 1 1 A 20 20 HIS CA C 20 54.700 55.001 -0.301 2
1 207 . 1 1 A 20 20 HIS CB C 20 31.900 32.130 -0.230 2
1 210 . 1 1 A 20 20 HIS N N 20 120.000 124.247 -4.247 2
1 211 . 1 1 A 21 21 CYS H H 21 8.910 8.517 0.393 2
1 212 . 1 1 A 21 21 CYS HA H 21 4.700 4.551 0.149 2
1 215 . 1 1 A 21 21 CYS C C 21 176.400 175.448 0.952 2
1 216 . 1 1 A 21 21 CYS CA C 21 57.900 58.187 -0.287 2
1 217 . 1 1 A 21 21 CYS CB C 21 31.700 28.831 2.869 2
1 218 . 1 1 A 21 21 CYS N N 21 129.200 126.647 2.553 2
1 219 . 1 1 A 22 22 GLU H H 22 9.030 8.863 0.167 2
1 220 . 1 1 A 22 22 GLU HA H 22 4.130 4.196 -0.066 2
1 225 . 1 1 A 22 22 GLU C C 22 177.400 177.293 0.107 2
1 226 . 1 1 A 22 22 GLU CA C 22 58.200 59.021 -0.821 2
1 227 . 1 1 A 22 22 GLU CB C 22 29.500 29.691 -0.191 2
1 229 . 1 1 A 22 22 GLU N N 22 128.800 126.159 2.641 2
1 230 . 1 1 A 23 23 THR H H 23 8.360 7.659 0.702 2
1 231 . 1 1 A 23 23 THR HA H 23 3.920 4.347 -0.427 2
1 236 . 1 1 A 23 23 THR C C 23 176.500 174.554 1.946 2
1 237 . 1 1 A 23 23 THR CA C 23 66.800 62.580 4.220 2
1 238 . 1 1 A 23 23 THR CB C 23 69.100 69.109 -0.009 2
1 240 . 1 1 A 23 23 THR N N 23 119.800 110.765 9.035 2
1 241 . 1 1 A 24 24 CYS H H 24 9.570 8.073 1.497 2
1 242 . 1 1 A 24 24 CYS HA H 24 3.880 4.528 -0.648 2
1 245 . 1 1 A 24 24 CYS C C 24 174.900 173.837 1.063 2
1 246 . 1 1 A 24 24 CYS CA C 24 62.000 58.730 3.270 2
1 247 . 1 1 A 24 24 CYS CB C 24 30.300 28.290 2.010 2
1 248 . 1 1 A 24 24 CYS N N 24 123.600 119.708 3.892 2
1 249 . 1 1 A 25 25 ALA H H 25 7.720 8.186 -0.466 2
1 250 . 1 1 A 25 25 ALA HA H 25 3.820 4.245 -0.425 2
1 254 . 1 1 A 25 25 ALA C C 25 175.400 176.201 -0.801 2
1 255 . 1 1 A 25 25 ALA CA C 25 52.500 52.384 0.116 2
1 256 . 1 1 A 25 25 ALA CB C 25 16.000 18.208 -2.208 2
1 257 . 1 1 A 25 25 ALA N N 25 121.400 124.503 -3.103 2
1 258 . 1 1 A 26 26 LYS H H 26 6.910 7.655 -0.745 2
1 259 . 1 1 A 26 26 LYS HA H 26 4.450 4.622 -0.172 2
1 268 . 1 1 A 26 26 LYS CA C 26 54.600 54.753 -0.153 2
1 269 . 1 1 A 26 26 LYS CB C 26 37.900 34.953 2.947 2
1 273 . 1 1 A 26 26 LYS N N 26 116.100 119.204 -3.104 2
1 274 . 1 1 A 27 27 ASP HA H 27 5.610 5.441 0.169 2
1 277 . 1 1 A 27 27 ASP C C 27 174.400 174.752 -0.352 2
1 278 . 1 1 A 27 27 ASP CA C 27 53.000 52.586 0.414 2
1 279 . 1 1 A 27 27 ASP CB C 27 44.200 43.234 0.966 2
1 280 . 1 1 A 28 28 PHE H H 28 9.200 9.411 -0.211 2
1 281 . 1 1 A 28 28 PHE HA H 28 4.890 5.088 -0.198 2
1 289 . 1 1 A 28 28 PHE C C 28 175.500 175.415 0.085 2
1 290 . 1 1 A 28 28 PHE CA C 28 56.800 56.784 0.016 2
1 291 . 1 1 A 28 28 PHE CB C 28 42.900 40.997 1.903 2
1 297 . 1 1 A 28 28 PHE N N 28 118.100 122.570 -4.470 2
1 298 . 1 1 A 29 29 SER H H 29 9.070 8.920 0.150 2
1 299 . 1 1 A 29 29 SER HA H 29 4.750 4.853 -0.103 2
1 302 . 1 1 A 29 29 SER C C 29 173.400 174.168 -0.768 2
1 303 . 1 1 A 29 29 SER CA C 29 58.400 58.316 0.084 2
1 304 . 1 1 A 29 29 SER CB C 29 64.100 63.878 0.222 2
1 305 . 1 1 A 29 29 SER N N 29 118.400 119.555 -1.155 2
1 306 . 1 1 A 30 30 LEU H H 30 8.180 9.104 -0.924 2
1 307 . 1 1 A 30 30 LEU HA H 30 5.200 5.202 -0.002 2
1 317 . 1 1 A 30 30 LEU CA C 30 53.100 53.623 -0.523 2
1 318 . 1 1 A 30 30 LEU CB C 30 44.800 44.047 0.753 2
1 322 . 1 1 A 30 30 LEU N N 30 122.200 127.035 -4.835 2
1 323 . 1 1 A 31 31 GLN HA H 31 4.680 4.783 -0.103 2
1 328 . 1 1 A 31 31 GLN C C 31 173.600 174.814 -1.214 2
1 329 . 1 1 A 31 31 GLN CA C 31 54.200 53.996 0.204 2
1 330 . 1 1 A 31 31 GLN CB C 31 31.800 31.519 0.281 2
1 332 . 1 1 A 32 32 ALA H H 32 8.560 8.514 0.046 2
1 333 . 1 1 A 32 32 ALA HA H 32 3.990 4.287 -0.297 2
1 337 . 1 1 A 32 32 ALA C C 32 175.600 176.687 -1.087 2
1 338 . 1 1 A 32 32 ALA CA C 32 50.900 51.498 -0.598 2
1 339 . 1 1 A 32 32 ALA CB C 32 20.300 19.079 1.221 2
1 340 . 1 1 A 32 32 ALA N N 32 128.100 127.570 0.530 2
1 341 . 1 1 A 33 33 LEU H H 33 8.740 8.868 -0.128 2
1 342 . 1 1 A 33 33 LEU HA H 33 4.560 4.946 -0.386 2
1 352 . 1 1 A 33 33 LEU C C 33 175.400 175.408 -0.008 2
1 353 . 1 1 A 33 33 LEU CA C 33 52.700 53.479 -0.779 2
1 354 . 1 1 A 33 33 LEU CB C 33 44.200 45.158 -0.958 2
1 358 . 1 1 A 33 33 LEU N N 33 124.500 124.333 0.167 2
1 359 . 1 1 A 34 34 CYS H H 34 8.260 8.551 -0.291 2
1 360 . 1 1 A 34 34 CYS HA H 34 4.270 4.865 -0.595 2
1 363 . 1 1 A 34 34 CYS CA C 34 56.900 56.768 0.132 2
1 364 . 1 1 A 34 34 CYS CB C 34 31.400 28.860 2.540 2
1 365 . 1 1 A 34 34 CYS N N 34 123.600 122.715 0.885 2
1 366 . 1 1 A 35 35 PRO HA H 35 4.290 4.362 -0.072 2
1 373 . 1 1 A 35 35 PRO C C 35 176.100 177.322 -1.222 2
1 374 . 1 1 A 35 35 PRO CA C 35 63.700 64.614 -0.914 2
1 375 . 1 1 A 35 35 PRO CB C 35 31.600 31.762 -0.162 2
1 378 . 1 1 A 36 36 ASP H H 36 8.980 8.534 0.446 2
1 379 . 1 1 A 36 36 ASP HA H 36 4.600 4.512 0.088 2
1 382 . 1 1 A 36 36 ASP C C 36 176.500 176.536 -0.036 2
1 383 . 1 1 A 36 36 ASP CA C 36 56.400 55.813 0.587 2
1 384 . 1 1 A 36 36 ASP CB C 36 40.100 41.108 -1.008 2
1 385 . 1 1 A 36 36 ASP N N 36 122.200 116.363 5.837 2
1 386 . 1 1 A 37 37 CYS H H 37 7.840 7.833 0.007 2
1 387 . 1 1 A 37 37 CYS HA H 37 5.000 4.556 0.444 2
1 390 . 1 1 A 37 37 CYS C C 37 175.400 173.988 1.412 2
1 391 . 1 1 A 37 37 CYS CA C 37 58.400 58.934 -0.534 2
1 392 . 1 1 A 37 37 CYS CB C 37 32.300 28.184 4.116 2
1 393 . 1 1 A 37 37 CYS N N 37 116.000 116.496 -0.496 2
1 394 . 1 1 A 38 38 ARG H H 38 7.880 8.419 -0.539 2
1 395 . 1 1 A 38 38 ARG HA H 38 4.050 4.375 -0.325 2
1 402 . 1 1 A 38 38 ARG C C 38 173.700 175.198 -1.498 2
1 403 . 1 1 A 38 38 ARG CA C 38 58.100 56.254 1.846 2
1 404 . 1 1 A 38 38 ARG CB C 38 27.400 29.316 -1.916 2
1 407 . 1 1 A 38 38 ARG N N 38 117.700 124.241 -6.541 2
1 408 . 1 1 A 39 39 GLN H H 39 7.720 7.901 -0.181 2
1 409 . 1 1 A 39 39 GLN HA H 39 4.710 4.665 0.045 2
1 414 . 1 1 A 39 39 GLN CA C 39 53.900 53.924 -0.024 2
1 415 . 1 1 A 39 39 GLN CB C 39 28.100 30.168 -2.068 2
1 417 . 1 1 A 39 39 GLN N N 39 117.500 120.625 -3.125 2
1 418 . 1 1 A 40 40 PRO HA H 40 4.570 4.438 0.132 2
1 425 . 1 1 A 40 40 PRO C C 40 176.600 177.082 -0.482 2
1 426 . 1 1 A 40 40 PRO CA C 40 63.700 63.209 0.491 2
1 427 . 1 1 A 40 40 PRO CB C 40 31.900 31.699 0.201 2
1 430 . 1 1 A 41 41 LEU H H 41 8.170 8.150 0.020 2
1 431 . 1 1 A 41 41 LEU HA H 41 4.460 4.324 0.136 2
1 441 . 1 1 A 41 41 LEU C C 41 177.200 176.348 0.852 2
1 442 . 1 1 A 41 41 LEU CA C 41 54.000 55.293 -1.293 2
1 443 . 1 1 A 41 41 LEU CB C 41 43.200 42.272 0.928 2
1 447 . 1 1 A 41 41 LEU N N 41 124.100 122.291 1.809 2
1 448 . 1 1 A 42 42 GLN H H 42 9.240 8.290 0.950 2
1 449 . 1 1 A 42 42 GLN HA H 42 4.490 4.601 -0.111 2
1 454 . 1 1 A 42 42 GLN C C 42 175.000 174.933 0.067 2
1 455 . 1 1 A 42 42 GLN CA C 42 55.300 55.561 -0.261 2
1 456 . 1 1 A 42 42 GLN CB C 42 29.600 30.241 -0.641 2
1 458 . 1 1 A 42 42 GLN N N 42 122.100 119.754 2.346 2
1 459 . 1 1 A 43 43 VAL H H 43 8.600 8.637 -0.037 2
1 460 . 1 1 A 43 43 VAL HA H 43 4.260 4.072 0.188 2
1 468 . 1 1 A 43 43 VAL C C 43 175.500 175.160 0.340 2
1 469 . 1 1 A 43 43 VAL CA C 43 62.100 62.766 -0.666 2
1 470 . 1 1 A 43 43 VAL CB C 43 32.000 31.092 0.908 2
1 473 . 1 1 A 43 43 VAL N N 43 126.400 126.292 0.108 2
1 474 . 1 1 A 44 44 LEU H H 44 8.940 9.209 -0.269 2
1 475 . 1 1 A 44 44 LEU HA H 44 4.510 4.844 -0.334 2
1 485 . 1 1 A 44 44 LEU C C 44 175.500 175.753 -0.253 2
1 486 . 1 1 A 44 44 LEU CA C 44 53.400 53.828 -0.428 2
1 487 . 1 1 A 44 44 LEU CB C 44 42.800 42.389 0.411 2
1 491 . 1 1 A 44 44 LEU N N 44 130.200 129.401 0.799 2
1 492 . 1 1 A 45 45 LYS H H 45 8.520 8.662 -0.142 2
1 493 . 1 1 A 45 45 LYS HA H 45 4.830 4.836 -0.006 2
1 502 . 1 1 A 45 45 LYS C C 45 175.600 175.660 -0.060 2
1 503 . 1 1 A 45 45 LYS CA C 45 55.700 55.263 0.438 2
1 504 . 1 1 A 45 45 LYS CB C 45 33.500 33.510 -0.010 2
1 508 . 1 1 A 45 45 LYS N N 45 123.700 123.847 -0.147 2
1 509 . 1 1 A 46 46 ALA H H 46 8.220 8.646 -0.426 2
1 510 . 1 1 A 46 46 ALA HA H 46 4.540 4.584 -0.044 2
1 514 . 1 1 A 46 46 ALA C C 46 176.900 177.121 -0.221 2
1 515 . 1 1 A 46 46 ALA CA C 46 51.900 51.006 0.894 2
1 516 . 1 1 A 46 46 ALA CB C 46 20.700 20.389 0.311 2
1 517 . 1 1 A 46 46 ALA N N 46 126.400 126.469 -0.069 2
1 518 . 1 1 A 47 47 CYS H H 47 9.200 8.612 0.588 2
1 519 . 1 1 A 47 47 CYS HA H 47 4.080 4.278 -0.198 2
1 522 . 1 1 A 47 47 CYS C C 47 175.100 175.380 -0.280 2
1 523 . 1 1 A 47 47 CYS CA C 47 59.700 60.702 -1.002 2
1 524 . 1 1 A 47 47 CYS CB C 47 25.800 27.241 -1.441 2
1 525 . 1 1 A 47 47 CYS N N 47 120.400 118.972 1.428 2
1 526 . 1 1 A 48 48 GLY H H 48 8.620 8.346 0.274 2
1 527 . 1 1 A 48 48 GLY HA2 H 48 3.670 3.999 -0.329 2
1 528 . 1 1 A 48 48 GLY HA3 H 48 4.070 4.002 0.068 2
1 529 . 1 1 A 48 48 GLY C C 48 173.100 173.679 -0.579 2
1 530 . 1 1 A 48 48 GLY CA C 48 45.500 45.507 -0.007 2
1 531 . 1 1 A 48 48 GLY N N 48 109.000 109.926 -0.926 2
1 532 . 1 1 A 49 49 ALA H H 49 7.820 7.621 0.199 2
1 533 . 1 1 A 49 49 ALA HA H 49 4.620 4.621 -0.001 2
1 537 . 1 1 A 49 49 ALA C C 49 176.000 175.927 0.073 2
1 538 . 1 1 A 49 49 ALA CA C 49 51.000 51.466 -0.466 2
1 539 . 1 1 A 49 49 ALA CB C 49 21.300 21.488 -0.188 2
1 540 . 1 1 A 49 49 ALA N N 49 124.000 121.846 2.154 2
1 541 . 1 1 A 50 50 VAL H H 50 8.100 8.745 -0.645 2
1 542 . 1 1 A 50 50 VAL HA H 50 4.560 4.837 -0.277 2
1 550 . 1 1 A 50 50 VAL C C 50 174.300 174.051 0.249 2
1 551 . 1 1 A 50 50 VAL CA C 50 61.400 60.543 0.857 2
1 552 . 1 1 A 50 50 VAL CB C 50 33.800 33.924 -0.124 2
1 555 . 1 1 A 50 50 VAL N N 50 119.600 117.909 1.691 2
1 556 . 1 1 A 51 51 ASP H H 51 8.640 9.012 -0.372 2
1 557 . 1 1 A 51 51 ASP HA H 51 5.030 5.285 -0.255 2
1 560 . 1 1 A 51 51 ASP C C 51 173.000 174.314 -1.314 2
1 561 . 1 1 A 51 51 ASP CA C 51 52.000 52.959 -0.959 2
1 562 . 1 1 A 51 51 ASP CB C 51 43.900 43.867 0.033 2
1 563 . 1 1 A 51 51 ASP N N 51 124.900 126.462 -1.562 2
1 564 . 1 1 A 52 52 TYR H H 52 8.950 8.984 -0.034 2
1 565 . 1 1 A 52 52 TYR HA H 52 5.150 5.303 -0.153 2
1 572 . 1 1 A 52 52 TYR C C 52 174.500 174.865 -0.365 2
1 573 . 1 1 A 52 52 TYR CA C 52 57.300 56.644 0.656 2
1 574 . 1 1 A 52 52 TYR CB C 52 41.200 39.354 1.846 2
1 579 . 1 1 A 52 52 TYR N N 52 118.500 123.270 -4.770 2
1 580 . 1 1 A 53 53 PHE H H 53 9.250 8.734 0.516 2
1 581 . 1 1 A 53 53 PHE HA H 53 5.040 4.978 0.062 2
1 588 . 1 1 A 53 53 PHE C C 53 173.200 174.093 -0.893 2
1 589 . 1 1 A 53 53 PHE CA C 53 56.400 57.564 -1.164 2
1 590 . 1 1 A 53 53 PHE CB C 53 44.300 41.886 2.414 2
1 595 . 1 1 A 53 53 PHE N N 53 123.100 123.846 -0.746 2
1 596 . 1 1 A 54 54 CYS H H 54 9.160 8.634 0.526 2
1 597 . 1 1 A 54 54 CYS HA H 54 4.690 4.514 0.176 2
1 600 . 1 1 A 54 54 CYS C C 54 175.700 174.552 1.148 2
1 601 . 1 1 A 54 54 CYS CA C 54 58.200 58.391 -0.191 2
1 602 . 1 1 A 54 54 CYS CB C 54 29.600 26.730 2.870 2
1 603 . 1 1 A 54 54 CYS N N 54 130.800 124.688 6.112 2
1 604 . 1 1 A 55 55 GLN H H 55 9.260 8.544 0.716 2
1 605 . 1 1 A 55 55 GLN HA H 55 4.300 4.362 -0.062 2
1 610 . 1 1 A 55 55 GLN C C 55 174.400 176.319 -1.919 2
1 611 . 1 1 A 55 55 GLN CA C 55 56.900 57.837 -0.937 2
1 612 . 1 1 A 55 55 GLN CB C 55 28.900 29.743 -0.843 2
1 614 . 1 1 A 55 55 GLN N N 55 129.000 125.690 3.310 2
1 615 . 1 1 A 56 56 ASN H H 56 9.100 8.194 0.906 2
1 616 . 1 1 A 56 56 ASN HA H 56 4.860 4.896 -0.036 2
1 619 . 1 1 A 56 56 ASN C C 56 174.100 176.079 -1.979 2
1 620 . 1 1 A 56 56 ASN CA C 56 52.100 53.114 -1.014 2
1 621 . 1 1 A 56 56 ASN CB C 56 39.500 40.143 -0.643 2
1 622 . 1 1 A 56 56 ASN N N 56 122.300 116.591 5.709 2
1 623 . 1 1 A 57 57 GLY H H 57 7.180 8.384 -1.204 2
1 624 . 1 1 A 57 57 GLY HA2 H 57 3.450 3.977 -0.527 2
1 625 . 1 1 A 57 57 GLY HA3 H 57 4.000 3.995 0.005 2
1 626 . 1 1 A 57 57 GLY C C 57 175.800 174.296 1.504 2
1 627 . 1 1 A 57 57 GLY CA C 57 45.100 45.758 -0.658 2
1 628 . 1 1 A 57 57 GLY N N 57 104.200 109.636 -5.436 2
1 629 . 1 1 A 58 58 HIS H H 58 7.380 8.137 -0.757 2
1 630 . 1 1 A 58 58 HIS HA H 58 4.620 4.575 0.045 2
1 633 . 1 1 A 58 58 HIS C C 58 174.100 174.802 -0.702 2
1 634 . 1 1 A 58 58 HIS CA C 58 59.600 57.607 1.993 2
1 635 . 1 1 A 58 58 HIS CB C 58 30.100 30.997 -0.897 2
1 636 . 1 1 A 58 58 HIS N N 58 116.000 119.117 -3.117 2
1 637 . 1 1 A 59 59 GLY H H 59 7.610 7.426 0.184 2
1 638 . 1 1 A 59 59 GLY HA2 H 59 2.930 3.901 -0.971 2
1 639 . 1 1 A 59 59 GLY HA3 H 59 3.700 3.949 -0.249 2
1 640 . 1 1 A 59 59 GLY C C 59 173.100 172.719 0.381 2
1 641 . 1 1 A 59 59 GLY CA C 59 45.500 45.012 0.488 2
1 642 . 1 1 A 59 59 GLY N N 59 108.000 105.138 2.862 2
1 643 . 1 1 A 60 60 LEU H H 60 8.450 8.377 0.073 2
1 644 . 1 1 A 60 60 LEU HA H 60 4.620 3.915 0.705 2
1 654 . 1 1 A 60 60 LEU C C 60 176.800 175.814 0.986 2
1 655 . 1 1 A 60 60 LEU CA C 60 55.700 54.330 1.370 2
1 656 . 1 1 A 60 60 LEU CB C 60 42.200 42.819 -0.619 2
1 660 . 1 1 A 60 60 LEU N N 60 124.300 120.223 4.077 2
1 661 . 1 1 A 61 61 ILE H H 61 8.740 8.071 0.669 2
1 662 . 1 1 A 61 61 ILE HA H 61 4.200 4.470 -0.270 2
1 672 . 1 1 A 61 61 ILE C C 61 175.500 175.553 -0.053 2
1 673 . 1 1 A 61 61 ILE CA C 61 57.000 59.925 -2.925 2
1 674 . 1 1 A 61 61 ILE CB C 61 37.400 40.053 -2.653 2
1 678 . 1 1 A 61 61 ILE N N 61 128.500 124.049 4.451 2
1 679 . 1 1 A 62 62 SER H H 62 8.490 8.666 -0.176 2
1 680 . 1 1 A 62 62 SER HA H 62 4.380 4.503 -0.123 2
1 683 . 1 1 A 62 62 SER C C 62 176.500 175.743 0.757 2
1 684 . 1 1 A 62 62 SER CA C 62 58.300 59.387 -1.087 2
1 685 . 1 1 A 62 62 SER CB C 62 63.500 63.638 -0.138 2
1 686 . 1 1 A 62 62 SER N N 62 121.700 122.100 -0.400 2
1 687 . 1 1 A 63 63 LYS H H 63 9.040 8.979 0.061 2
1 688 . 1 1 A 63 63 LYS HA H 63 3.910 4.275 -0.365 2
1 697 . 1 1 A 63 63 LYS C C 63 178.200 177.887 0.313 2
1 698 . 1 1 A 63 63 LYS CA C 63 60.300 58.826 1.474 2
1 699 . 1 1 A 63 63 LYS CB C 63 32.000 32.263 -0.263 2
1 703 . 1 1 A 63 63 LYS N N 63 126.000 127.005 -1.005 2
1 704 . 1 1 A 64 64 LYS H H 64 8.090 7.933 0.157 2
1 705 . 1 1 A 64 64 LYS HA H 64 4.190 4.263 -0.073 2
1 714 . 1 1 A 64 64 LYS C C 64 177.000 177.578 -0.578 2
1 715 . 1 1 A 64 64 LYS CA C 64 58.000 58.093 -0.093 2
1 716 . 1 1 A 64 64 LYS CB C 64 32.300 32.555 -0.255 2
1 720 . 1 1 A 64 64 LYS N N 64 115.400 118.592 -3.192 2
1 721 . 1 1 A 65 65 ARG H H 65 7.960 8.083 -0.123 2
1 722 . 1 1 A 65 65 ARG HA H 65 4.280 4.503 -0.223 2
1 729 . 1 1 A 65 65 ARG C C 65 176.000 175.920 0.080 2
1 730 . 1 1 A 65 65 ARG CA C 65 55.900 55.678 0.222 2
1 731 . 1 1 A 65 65 ARG CB C 65 32.000 31.129 0.871 2
1 734 . 1 1 A 65 65 ARG N N 65 116.600 117.605 -1.005 2
1 735 . 1 1 A 66 66 VAL H H 66 6.810 7.358 -0.548 2
1 736 . 1 1 A 66 66 VAL HA H 66 2.800 3.978 -1.178 2
1 744 . 1 1 A 66 66 VAL C C 66 174.500 175.283 -0.783 2
1 745 . 1 1 A 66 66 VAL CA C 66 65.000 62.447 2.553 2
1 746 . 1 1 A 66 66 VAL CB C 66 32.000 32.335 -0.335 2
1 749 . 1 1 A 66 66 VAL N N 66 119.600 120.160 -0.560 2
1 750 . 1 1 A 67 67 ASN H H 67 7.270 8.600 -1.330 2
1 751 . 1 1 A 67 67 ASN HA H 67 4.840 4.933 -0.093 2
1 756 . 1 1 A 67 67 ASN C C 67 173.200 173.922 -0.722 2
1 757 . 1 1 A 67 67 ASN CA C 67 51.200 52.113 -0.913 2
1 758 . 1 1 A 67 67 ASN CB C 67 39.100 38.265 0.835 2
1 759 . 1 1 A 67 67 ASN N N 67 123.500 125.578 -2.078 2
1 761 . 1 1 A 68 68 PHE H H 68 8.180 8.729 -0.549 2
1 762 . 1 1 A 68 68 PHE HA H 68 5.170 5.063 0.107 2
1 770 . 1 1 A 68 68 PHE C C 68 175.300 175.307 -0.007 2
1 771 . 1 1 A 68 68 PHE CA C 68 58.000 57.842 0.158 2
1 772 . 1 1 A 68 68 PHE CB C 68 41.100 38.675 2.425 2
1 778 . 1 1 A 68 68 PHE N N 68 123.300 125.315 -2.015 2
1 779 . 1 1 A 69 69 VAL H H 69 8.660 8.879 -0.219 2
1 780 . 1 1 A 69 69 VAL HA H 69 4.520 4.878 -0.358 2
1 788 . 1 1 A 69 69 VAL C C 69 175.100 175.055 0.045 2
1 789 . 1 1 A 69 69 VAL CA C 69 59.200 59.884 -0.684 2
1 790 . 1 1 A 69 69 VAL CB C 69 35.100 34.469 0.631 2
1 793 . 1 1 A 69 69 VAL N N 69 116.500 120.312 -3.812 2
1 794 . 1 1 A 70 70 ILE H H 70 8.480 8.597 -0.117 2
1 795 . 1 1 A 70 70 ILE HA H 70 4.350 4.413 -0.063 2
1 805 . 1 1 A 70 70 ILE C C 70 176.400 175.539 0.861 2
1 806 . 1 1 A 70 70 ILE CA C 70 61.300 61.565 -0.265 2
1 807 . 1 1 A 70 70 ILE CB C 70 38.200 37.167 1.033 2
1 811 . 1 1 A 70 70 ILE N N 70 123.100 124.956 -1.856 2
1 812 . 1 1 A 71 71 SER H H 71 8.770 8.694 0.076 2
1 813 . 1 1 A 71 71 SER HA H 71 4.550 4.750 -0.200 2
1 816 . 1 1 A 71 71 SER C C 71 174.200 173.457 0.743 2
1 817 . 1 1 A 71 71 SER CA C 71 57.700 57.771 -0.071 2
1 818 . 1 1 A 71 71 SER CB C 71 64.100 63.520 0.580 2
1 819 . 1 1 A 71 71 SER N N 71 122.200 122.997 -0.797 2
1 820 . 1 1 A 72 72 ASP H H 72 8.470 8.588 -0.118 2
1 821 . 1 1 A 72 72 ASP HA H 72 4.720 4.862 -0.142 2
1 824 . 1 1 A 72 72 ASP C C 72 176.100 175.867 0.233 2
1 825 . 1 1 A 72 72 ASP CA C 72 54.200 53.720 0.480 2
1 826 . 1 1 A 72 72 ASP CB C 72 41.200 42.155 -0.955 2
1 827 . 1 1 A 72 72 ASP N N 72 122.700 124.769 -2.069 2
1 828 . 1 1 A 73 73 GLN H H 73 8.490 8.383 0.107 2
1 829 . 1 1 A 73 73 GLN HA H 73 4.310 4.501 -0.191 2
1 834 . 1 1 A 73 73 GLN C C 73 176.000 175.392 0.608 2
1 835 . 1 1 A 73 73 GLN CA C 73 56.100 55.907 0.193 2
1 836 . 1 1 A 73 73 GLN CB C 73 29.200 29.496 -0.296 2
1 838 . 1 1 A 73 73 GLN N N 73 120.300 120.599 -0.299 2
1 839 . 1 1 A 74 74 LEU H H 74 8.250 8.143 0.107 2
1 840 . 1 1 A 74 74 LEU HA H 74 4.250 4.502 -0.252 2
1 850 . 1 1 A 74 74 LEU C C 74 177.100 176.495 0.605 2
1 851 . 1 1 A 74 74 LEU CA C 74 55.200 54.666 0.534 2
1 852 . 1 1 A 74 74 LEU CB C 74 42.100 42.713 -0.613 2
1 856 . 1 1 A 74 74 LEU N N 74 123.000 122.234 0.766 2
1 857 . 1 1 A 75 75 GLU H H 75 8.260 8.570 -0.310 2
1 858 . 1 1 A 75 75 GLU HA H 75 4.170 4.378 -0.208 2
1 863 . 1 1 A 75 75 GLU C C 75 176.200 176.675 -0.475 2
1 864 . 1 1 A 75 75 GLU CA C 75 56.300 56.914 -0.614 2
1 865 . 1 1 A 75 75 GLU CB C 75 29.800 30.050 -0.250 2
1 867 . 1 1 A 75 75 GLU N N 75 120.700 122.543 -1.843 2
1 868 . 1 1 A 76 76 HIS H H 76 8.480 8.286 0.194 2
1 869 . 1 1 A 76 76 HIS HA H 76 4.610 4.568 0.042 2
1 872 . 1 1 A 76 76 HIS C C 76 174.200 175.115 -0.915 2
1 873 . 1 1 A 76 76 HIS CA C 76 55.100 56.644 -1.544 2
1 874 . 1 1 A 76 76 HIS CB C 76 28.700 29.738 -1.038 2
1 875 . 1 1 A 76 76 HIS N N 76 119.100 119.335 -0.235 2
1 876 . 1 1 A 77 77 HIS H H 77 8.540 8.268 0.272 2
1 877 . 1 1 A 77 77 HIS HA H 77 4.620 4.610 0.010 2
1 880 . 1 1 A 77 77 HIS C C 77 174.100 174.694 -0.594 2
1 881 . 1 1 A 77 77 HIS CA C 77 55.300 56.238 -0.938 2
1 882 . 1 1 A 77 77 HIS CB C 77 28.900 30.225 -1.325 2
1 883 . 1 1 A 77 77 HIS N N 77 118.700 118.335 0.365 2
1 884 . 1 1 A 78 78 HIS H H 78 8.630 8.436 0.194 2
1 885 . 1 1 A 78 78 HIS HA H 78 4.660 4.701 -0.041 2
1 888 . 1 1 A 78 78 HIS C C 78 174.100 174.615 -0.515 2
1 889 . 1 1 A 78 78 HIS CA C 78 55.200 56.120 -0.920 2
1 890 . 1 1 A 78 78 HIS CB C 78 29.100 30.540 -1.440 2
1 891 . 1 1 A 78 78 HIS N N 78 119.500 121.221 -1.721 2
1 892 . 1 1 A 79 79 HIS H H 79 8.690 8.514 0.176 2
1 893 . 1 1 A 79 79 HIS HA H 79 4.660 4.630 0.030 2
1 896 . 1 1 A 79 79 HIS C C 79 173.900 174.638 -0.738 2
1 897 . 1 1 A 79 79 HIS CA C 79 55.200 55.948 -0.748 2
1 898 . 1 1 A 79 79 HIS CB C 79 29.100 30.391 -1.291 2
1 899 . 1 1 A 79 79 HIS N N 79 120.400 121.469 -1.069 2
1 900 . 1 1 A 80 80 HIS H H 80 8.590 8.288 0.302 2
1 901 . 1 1 A 80 80 HIS HA H 80 4.630 4.692 -0.062 2
1 904 . 1 1 A 80 80 HIS C C 80 173.400 174.077 -0.677 2
1 905 . 1 1 A 80 80 HIS CA C 80 55.400 56.119 -0.719 2
1 906 . 1 1 A 80 80 HIS CB C 80 29.300 31.602 -2.302 2
1 907 . 1 1 A 80 80 HIS N N 80 120.600 119.385 1.215 2
stop_
save_