data_10163_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10163
_Entry.PDB_ID 2EED
_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 1 . 1 1 1 A 6 6 SER CA C 6 58.666 57.694 0.972 1
1 2 . 1 1 1 A 6 6 SER HA H 6 4.514 4.954 -0.440 1
1 3 . 1 1 1 A 6 6 SER CB C 6 63.933 66.773 -2.840 1
1 5 . 1 1 1 A 6 6 SER C C 6 175.074 173.980 1.094 1
1 7 . 1 1 1 A 7 7 GLY N N 7 110.792 111.983 -1.191 1
1 8 . 1 1 1 A 7 7 GLY H H 7 8.450 8.557 -0.107 1
1 9 . 1 1 1 A 7 7 GLY CA C 7 45.406 46.514 -1.108 1
1 10 . 1 1 1 A 7 7 GLY HA3 H 7 4.052 3.963 0.089 1
1 11 . 1 1 1 A 7 7 GLY C C 7 174.270 174.863 -0.593 1
1 12 . 1 1 1 A 7 7 GLY HA2 H 7 4.052 3.958 0.094 1
1 13 . 1 1 1 A 8 8 SER N N 8 115.558 116.781 -1.223 1
1 14 . 1 1 1 A 8 8 SER H H 8 8.274 8.230 0.044 1
1 15 . 1 1 1 A 8 8 SER CA C 8 58.332 58.400 -0.068 1
1 16 . 1 1 1 A 8 8 SER HA H 8 4.557 4.495 0.062 1
1 17 . 1 1 1 A 8 8 SER CB C 8 63.930 63.915 0.015 1
1 19 . 1 1 1 A 8 8 SER C C 8 174.064 174.132 -0.068 1
1 21 . 1 1 1 A 9 9 SER N N 9 116.801 124.710 -7.909 1
1 22 . 1 1 1 A 9 9 SER H H 9 8.227 8.683 -0.456 1
1 23 . 1 1 1 A 9 9 SER CA C 9 58.075 58.628 -0.553 1
1 24 . 1 1 1 A 9 9 SER HA H 9 5.001 4.995 0.006 1
1 25 . 1 1 1 A 9 9 SER CB C 9 64.491 64.295 0.196 1
1 27 . 1 1 1 A 9 9 SER C C 9 174.318 173.714 0.604 1
1 29 . 1 1 1 A 10 10 ASP N N 10 122.324 125.327 -3.003 1
1 30 . 1 1 1 A 10 10 ASP H H 10 8.262 9.171 -0.909 1
1 31 . 1 1 1 A 10 10 ASP CA C 10 53.833 53.133 0.700 1
1 32 . 1 1 1 A 10 10 ASP HA H 10 4.892 5.182 -0.290 1
1 33 . 1 1 1 A 10 10 ASP CB C 10 41.497 43.237 -1.740 1
1 35 . 1 1 1 A 10 10 ASP C C 10 176.306 176.087 0.219 1
1 37 . 1 1 1 A 11 11 ALA N N 11 126.255 125.208 1.047 1
1 38 . 1 1 1 A 11 11 ALA H H 11 9.091 8.951 0.140 1
1 39 . 1 1 1 A 11 11 ALA CA C 11 54.713 54.550 0.163 1
1 40 . 1 1 1 A 11 11 ALA HA H 11 4.056 4.201 -0.145 1
1 41 . 1 1 1 A 11 11 ALA CB C 11 20.177 19.248 0.929 1
1 45 . 1 1 1 A 11 11 ALA C C 11 177.950 179.408 -1.458 1
1 46 . 1 1 1 A 12 12 SER N N 12 110.658 113.985 -3.327 1
1 47 . 1 1 1 A 12 12 SER H H 12 8.224 8.060 0.164 1
1 48 . 1 1 1 A 12 12 SER CA C 12 60.857 61.695 -0.838 1
1 49 . 1 1 1 A 12 12 SER HA H 12 4.240 4.248 -0.008 1
1 50 . 1 1 1 A 12 12 SER CB C 12 62.964 63.029 -0.065 1
1 52 . 1 1 1 A 12 12 SER C C 12 175.312 176.364 -1.052 1
1 54 . 1 1 1 A 13 13 LYS N N 13 119.063 118.577 0.486 1
1 55 . 1 1 1 A 13 13 LYS H H 13 7.349 7.781 -0.432 1
1 56 . 1 1 1 A 13 13 LYS CA C 13 54.948 58.327 -3.379 1
1 57 . 1 1 1 A 13 13 LYS HA H 13 4.293 4.323 -0.030 1
1 58 . 1 1 1 A 13 13 LYS CB C 13 33.037 32.858 0.179 1
1 66 . 1 1 1 A 13 13 LYS C C 13 177.263 177.583 -0.320 1
1 71 . 1 1 1 A 14 14 VAL N N 14 124.317 120.014 4.303 1
1 72 . 1 1 1 A 14 14 VAL H H 14 7.500 7.470 0.030 1
1 73 . 1 1 1 A 14 14 VAL CA C 14 63.797 62.871 0.926 1
1 74 . 1 1 1 A 14 14 VAL HA H 14 3.870 3.840 0.030 1
1 75 . 1 1 1 A 14 14 VAL CB C 14 31.996 31.375 0.621 1
1 85 . 1 1 1 A 14 14 VAL C C 14 175.873 175.368 0.505 1
1 86 . 1 1 1 A 15 15 THR N N 15 117.704 119.211 -1.507 1
1 87 . 1 1 1 A 15 15 THR H H 15 8.197 8.430 -0.233 1
1 88 . 1 1 1 A 15 15 THR CA C 15 59.805 59.553 0.252 1
1 89 . 1 1 1 A 15 15 THR HA H 15 4.911 5.305 -0.394 1
1 90 . 1 1 1 A 15 15 THR CB C 15 71.373 71.438 -0.065 1
1 96 . 1 1 1 A 15 15 THR C C 15 172.695 174.135 -1.440 1
1 97 . 1 1 1 A 16 16 SER N N 16 113.256 116.498 -3.242 1
1 98 . 1 1 1 A 16 16 SER H H 16 8.442 8.979 -0.537 1
1 99 . 1 1 1 A 16 16 SER CA C 16 57.155 56.662 0.493 1
1 100 . 1 1 1 A 16 16 SER HA H 16 5.564 5.546 0.018 1
1 101 . 1 1 1 A 16 16 SER CB C 16 66.124 66.023 0.101 1
1 103 . 1 1 1 A 16 16 SER C C 16 173.455 173.397 0.058 1
1 105 . 1 1 1 A 17 17 LYS N N 17 117.543 120.515 -2.972 1
1 106 . 1 1 1 A 17 17 LYS H H 17 8.870 8.468 0.402 1
1 107 . 1 1 1 A 17 17 LYS CA C 17 56.063 54.351 1.712 1
1 108 . 1 1 1 A 17 17 LYS HA H 17 4.673 5.150 -0.477 1
1 109 . 1 1 1 A 17 17 LYS CB C 17 35.602 36.564 -0.962 1
1 117 . 1 1 1 A 17 17 LYS C C 17 174.625 174.764 -0.139 1
1 122 . 1 1 1 A 18 18 GLY N N 18 110.702 107.911 2.791 1
1 123 . 1 1 1 A 18 18 GLY H H 18 8.746 8.503 0.243 1
1 124 . 1 1 1 A 18 18 GLY CA C 18 44.501 44.084 0.417 1
1 125 . 1 1 1 A 18 18 GLY HA3 H 18 3.998 4.241 -0.243 1
1 126 . 1 1 1 A 18 18 GLY C C 18 175.460 174.172 1.288 1
1 127 . 1 1 1 A 18 18 GLY HA2 H 18 4.947 4.212 0.735 1
1 128 . 1 1 1 A 19 19 ALA CA C 19 55.387 54.685 0.702 1
1 129 . 1 1 1 A 19 19 ALA HA H 19 4.229 4.169 0.060 1
1 130 . 1 1 1 A 19 19 ALA CB C 19 18.689 19.240 -0.551 1
1 134 . 1 1 1 A 19 19 ALA C C 19 179.606 179.902 -0.296 1
1 135 . 1 1 1 A 20 20 GLY N N 20 101.587 107.413 -5.826 1
1 136 . 1 1 1 A 20 20 GLY H H 20 8.466 8.370 0.096 1
1 137 . 1 1 1 A 20 20 GLY CA C 20 46.078 47.218 -1.140 1
1 138 . 1 1 1 A 20 20 GLY HA3 H 20 3.596 3.873 -0.277 1
1 139 . 1 1 1 A 20 20 GLY C C 20 173.214 176.262 -3.048 1
1 140 . 1 1 1 A 20 20 GLY HA2 H 20 4.689 3.866 0.823 1
1 141 . 1 1 1 A 21 21 LEU N N 21 115.987 122.903 -6.916 1
1 142 . 1 1 1 A 21 21 LEU H H 21 6.928 7.942 -1.014 1
1 143 . 1 1 1 A 21 21 LEU CA C 21 55.567 57.205 -1.638 1
1 144 . 1 1 1 A 21 21 LEU HA H 21 3.404 3.763 -0.359 1
1 145 . 1 1 1 A 21 21 LEU CB C 21 41.702 41.032 0.670 1
1 157 . 1 1 1 A 21 21 LEU C C 21 175.989 179.391 -3.402 1
1 159 . 1 1 1 A 22 22 SER N N 22 106.483 113.308 -6.825 1
1 160 . 1 1 1 A 22 22 SER H H 22 7.808 8.066 -0.258 1
1 161 . 1 1 1 A 22 22 SER CA C 22 58.956 61.000 -2.044 1
1 162 . 1 1 1 A 22 22 SER HA H 22 4.901 4.441 0.460 1
1 163 . 1 1 1 A 22 22 SER CB C 22 66.238 63.621 2.617 1
1 165 . 1 1 1 A 22 22 SER C C 22 174.051 174.143 -0.092 1
1 167 . 1 1 1 A 23 23 LYS N N 23 124.757 114.958 9.799 1
1 168 . 1 1 1 A 23 23 LYS H H 23 8.399 8.047 0.352 1
1 169 . 1 1 1 A 23 23 LYS CA C 23 55.676 54.943 0.733 1
1 170 . 1 1 1 A 23 23 LYS HA H 23 4.973 4.740 0.233 1
1 171 . 1 1 1 A 23 23 LYS CB C 23 36.338 36.026 0.312 1
1 179 . 1 1 1 A 23 23 LYS C C 23 173.136 174.124 -0.988 1
1 184 . 1 1 1 A 24 24 ALA N N 24 123.565 121.753 1.812 1
1 185 . 1 1 1 A 24 24 ALA H H 24 7.541 8.762 -1.221 1
1 186 . 1 1 1 A 24 24 ALA CA C 24 51.148 50.586 0.562 1
1 187 . 1 1 1 A 24 24 ALA HA H 24 4.256 5.565 -1.309 1
1 188 . 1 1 1 A 24 24 ALA CB C 24 22.019 24.000 -1.981 1
1 192 . 1 1 1 A 24 24 ALA C C 24 173.515 175.761 -2.246 1
1 193 . 1 1 1 A 25 25 PHE N N 25 114.269 115.285 -1.016 1
1 194 . 1 1 1 A 25 25 PHE H H 25 7.858 8.964 -1.106 1
1 195 . 1 1 1 A 25 25 PHE CA C 25 55.809 56.510 -0.701 1
1 196 . 1 1 1 A 25 25 PHE HA H 25 5.191 4.967 0.224 1
1 197 . 1 1 1 A 25 25 PHE CB C 25 41.943 42.407 -0.464 1
1 209 . 1 1 1 A 25 25 PHE C C 25 177.046 175.331 1.715 1
1 211 . 1 1 1 A 26 26 VAL N N 26 123.270 123.277 -0.007 1
1 212 . 1 1 1 A 26 26 VAL H H 26 9.338 8.690 0.648 1
1 213 . 1 1 1 A 26 26 VAL CA C 26 65.054 65.209 -0.155 1
1 214 . 1 1 1 A 26 26 VAL HA H 26 3.441 3.555 -0.114 1
1 215 . 1 1 1 A 26 26 VAL CB C 26 31.757 31.550 0.207 1
1 225 . 1 1 1 A 26 26 VAL C C 26 178.201 177.287 0.914 1
1 226 . 1 1 1 A 27 27 GLY N N 27 112.668 115.022 -2.354 1
1 227 . 1 1 1 A 27 27 GLY H H 27 8.862 8.641 0.221 1
1 228 . 1 1 1 A 27 27 GLY CA C 27 45.857 45.338 0.519 1
1 229 . 1 1 1 A 27 27 GLY HA3 H 27 4.229 4.028 0.201 1
1 230 . 1 1 1 A 27 27 GLY C C 27 173.411 174.287 -0.876 1
1 231 . 1 1 1 A 27 27 GLY HA2 H 27 3.631 4.025 -0.394 1
1 232 . 1 1 1 A 28 28 GLN N N 28 118.568 120.883 -2.315 1
1 233 . 1 1 1 A 28 28 GLN H H 28 7.755 7.841 -0.086 1
1 234 . 1 1 1 A 28 28 GLN CA C 28 53.825 56.688 -2.863 1
1 235 . 1 1 1 A 28 28 GLN HA H 28 4.690 4.312 0.378 1
1 236 . 1 1 1 A 28 28 GLN CB C 28 30.975 29.767 1.208 1
1 243 . 1 1 1 A 28 28 GLN C C 28 175.517 175.506 0.011 1
1 246 . 1 1 1 A 29 29 LYS N N 29 123.598 125.102 -1.504 1
1 247 . 1 1 1 A 29 29 LYS H H 29 8.839 8.729 0.110 1
1 248 . 1 1 1 A 29 29 LYS CA C 29 57.587 56.311 1.276 1
1 249 . 1 1 1 A 29 29 LYS HA H 29 4.158 4.489 -0.331 1
1 250 . 1 1 1 A 29 29 LYS CB C 29 32.381 32.918 -0.537 1
1 258 . 1 1 1 A 29 29 LYS C C 29 176.190 174.891 1.299 1
1 263 . 1 1 1 A 30 30 SER N N 30 124.030 124.483 -0.453 1
1 264 . 1 1 1 A 30 30 SER H H 30 8.694 8.642 0.052 1
1 265 . 1 1 1 A 30 30 SER CA C 30 57.560 58.586 -1.026 1
1 266 . 1 1 1 A 30 30 SER HA H 30 4.758 4.718 0.040 1
1 267 . 1 1 1 A 30 30 SER CB C 30 64.143 63.967 0.176 1
1 269 . 1 1 1 A 30 30 SER C C 30 173.413 173.636 -0.223 1
1 271 . 1 1 1 A 31 31 SER N N 31 116.828 118.858 -2.030 1
1 272 . 1 1 1 A 31 31 SER H H 31 8.894 8.644 0.250 1
1 273 . 1 1 1 A 31 31 SER CA C 31 57.132 55.689 1.443 1
1 274 . 1 1 1 A 31 31 SER HA H 31 6.181 5.198 0.983 1
1 275 . 1 1 1 A 31 31 SER CB C 31 67.745 66.546 1.199 1
1 277 . 1 1 1 A 31 31 SER C C 31 174.171 173.573 0.598 1
1 279 . 1 1 1 A 32 32 PHE N N 32 117.724 117.260 0.464 1
1 280 . 1 1 1 A 32 32 PHE H H 32 8.853 8.308 0.545 1
1 281 . 1 1 1 A 32 32 PHE CA C 32 57.190 55.864 1.326 1
1 282 . 1 1 1 A 32 32 PHE HA H 32 5.016 5.292 -0.276 1
1 283 . 1 1 1 A 32 32 PHE CB C 32 40.712 42.057 -1.345 1
1 295 . 1 1 1 A 32 32 PHE C C 32 170.765 172.121 -1.356 1
1 297 . 1 1 1 A 33 33 LEU N N 33 121.533 123.607 -2.074 1
1 298 . 1 1 1 A 33 33 LEU H H 33 9.223 8.590 0.633 1
1 299 . 1 1 1 A 33 33 LEU CA C 33 53.636 53.693 -0.057 1
1 300 . 1 1 1 A 33 33 LEU HA H 33 5.531 5.109 0.422 1
1 301 . 1 1 1 A 33 33 LEU CB C 33 46.278 45.084 1.194 1
1 313 . 1 1 1 A 33 33 LEU C C 33 176.559 174.536 2.023 1
1 315 . 1 1 1 A 34 34 VAL N N 34 123.140 126.709 -3.569 1
1 316 . 1 1 1 A 34 34 VAL H H 34 9.257 8.852 0.405 1
1 317 . 1 1 1 A 34 34 VAL CA C 34 61.182 61.301 -0.119 1
1 318 . 1 1 1 A 34 34 VAL HA H 34 4.785 4.829 -0.044 1
1 319 . 1 1 1 A 34 34 VAL CB C 34 34.589 34.000 0.589 1
1 329 . 1 1 1 A 34 34 VAL C C 34 174.370 174.055 0.315 1
1 330 . 1 1 1 A 35 35 ASP N N 35 126.353 127.874 -1.521 1
1 331 . 1 1 1 A 35 35 ASP H H 35 9.312 9.080 0.232 1
1 332 . 1 1 1 A 35 35 ASP CA C 35 53.298 54.148 -0.850 1
1 333 . 1 1 1 A 35 35 ASP HA H 35 5.229 5.033 0.196 1
1 334 . 1 1 1 A 35 35 ASP CB C 35 41.538 41.589 -0.051 1
1 336 . 1 1 1 A 35 35 ASP C C 35 176.980 176.072 0.908 1
1 338 . 1 1 1 A 36 36 CYS N N 36 125.342 125.724 -0.382 1
1 339 . 1 1 1 A 36 36 CYS H H 36 9.275 8.675 0.600 1
1 340 . 1 1 1 A 36 36 CYS CA C 36 57.367 58.063 -0.696 1
1 341 . 1 1 1 A 36 36 CYS HA H 36 4.374 4.801 -0.427 1
1 342 . 1 1 1 A 36 36 CYS CB C 36 28.369 28.502 -0.133 1
1 344 . 1 1 1 A 36 36 CYS C C 36 177.015 175.192 1.823 1
1 346 . 1 1 1 A 37 37 SER N N 37 119.973 117.168 2.805 1
1 347 . 1 1 1 A 37 37 SER H H 37 9.039 8.323 0.716 1
1 348 . 1 1 1 A 37 37 SER CA C 37 62.787 61.473 1.314 1
1 349 . 1 1 1 A 37 37 SER HA H 37 3.932 4.172 -0.240 1
1 350 . 1 1 1 A 37 37 SER CB C 37 62.982 63.088 -0.106 1
1 352 . 1 1 1 A 37 37 SER C C 37 176.290 175.259 1.031 1
1 354 . 1 1 1 A 38 38 LYS N N 38 120.815 117.669 3.146 1
1 355 . 1 1 1 A 38 38 LYS H H 38 8.676 8.007 0.669 1
1 356 . 1 1 1 A 38 38 LYS CA C 38 55.123 55.787 -0.664 1
1 357 . 1 1 1 A 38 38 LYS HA H 38 4.730 4.508 0.222 1
1 358 . 1 1 1 A 38 38 LYS CB C 38 32.250 32.057 0.193 1
1 366 . 1 1 1 A 38 38 LYS C C 38 176.385 176.580 -0.195 1
1 371 . 1 1 1 A 39 39 ALA N N 39 121.594 121.422 0.172 1
1 372 . 1 1 1 A 39 39 ALA H H 39 7.322 7.852 -0.530 1
1 373 . 1 1 1 A 39 39 ALA CA C 39 52.127 53.588 -1.461 1
1 374 . 1 1 1 A 39 39 ALA HA H 39 4.436 4.310 0.126 1
1 375 . 1 1 1 A 39 39 ALA CB C 39 21.347 19.831 1.516 1
1 379 . 1 1 1 A 39 39 ALA C C 39 177.453 177.622 -0.169 1
1 380 . 1 1 1 A 40 40 GLY N N 40 111.873 102.416 9.457 1
1 381 . 1 1 1 A 40 40 GLY H H 40 8.755 7.478 1.277 1
1 382 . 1 1 1 A 40 40 GLY CA C 40 45.619 45.636 -0.017 1
1 383 . 1 1 1 A 40 40 GLY HA3 H 40 4.329 4.343 -0.014 1
1 384 . 1 1 1 A 40 40 GLY C C 40 173.801 174.047 -0.246 1
1 385 . 1 1 1 A 40 40 GLY HA2 H 40 3.754 4.200 -0.446 1
1 386 . 1 1 1 A 41 41 SER N N 41 117.149 114.086 3.063 1
1 387 . 1 1 1 A 41 41 SER H H 41 8.524 8.662 -0.138 1
1 388 . 1 1 1 A 41 41 SER CA C 41 56.849 57.968 -1.119 1
1 389 . 1 1 1 A 41 41 SER HA H 41 5.010 4.701 0.309 1
1 390 . 1 1 1 A 41 41 SER CB C 41 63.917 62.992 0.925 1
1 392 . 1 1 1 A 41 41 SER C C 41 172.603 174.503 -1.900 1
1 394 . 1 1 1 A 42 42 ASN N N 42 125.590 119.649 5.941 1
1 395 . 1 1 1 A 42 42 ASN H H 42 7.155 7.617 -0.462 1
1 396 . 1 1 1 A 42 42 ASN CA C 42 50.805 51.904 -1.099 1
1 397 . 1 1 1 A 42 42 ASN HA H 42 3.256 4.744 -1.488 1
1 398 . 1 1 1 A 42 42 ASN CB C 42 39.354 39.397 -0.043 1
1 403 . 1 1 1 A 42 42 ASN C C 42 170.908 174.487 -3.579 1
1 405 . 1 1 1 A 43 43 MET N N 43 115.129 118.620 -3.491 1
1 406 . 1 1 1 A 43 43 MET H H 43 8.366 8.003 0.363 1
1 407 . 1 1 1 A 43 43 MET CA C 43 53.424 53.107 0.317 1
1 408 . 1 1 1 A 43 43 MET HA H 43 4.102 5.021 -0.919 1
1 409 . 1 1 1 A 43 43 MET CB C 43 35.572 34.856 0.716 1
1 417 . 1 1 1 A 43 43 MET C C 43 173.140 174.271 -1.131 1
1 420 . 1 1 1 A 44 44 LEU N N 44 128.038 124.460 3.578 1
1 421 . 1 1 1 A 44 44 LEU H H 44 8.300 8.680 -0.380 1
1 422 . 1 1 1 A 44 44 LEU CA C 44 53.806 53.350 0.456 1
1 423 . 1 1 1 A 44 44 LEU HA H 44 5.331 5.208 0.123 1
1 424 . 1 1 1 A 44 44 LEU CB C 44 43.598 44.165 -0.567 1
1 436 . 1 1 1 A 44 44 LEU C C 44 175.236 175.734 -0.498 1
1 438 . 1 1 1 A 45 45 LEU N N 45 126.999 122.056 4.943 1
1 439 . 1 1 1 A 45 45 LEU H H 45 9.109 8.503 0.606 1
1 440 . 1 1 1 A 45 45 LEU CA C 45 54.800 53.194 1.606 1
1 441 . 1 1 1 A 45 45 LEU HA H 45 5.135 5.128 0.007 1
1 442 . 1 1 1 A 45 45 LEU CB C 45 45.499 46.153 -0.654 1
1 454 . 1 1 1 A 45 45 LEU C C 45 175.167 175.346 -0.179 1
1 456 . 1 1 1 A 46 46 ILE N N 46 118.172 119.668 -1.496 1
1 457 . 1 1 1 A 46 46 ILE H H 46 7.966 8.629 -0.663 1
1 458 . 1 1 1 A 46 46 ILE CA C 46 58.091 59.509 -1.418 1
1 459 . 1 1 1 A 46 46 ILE HA H 46 5.412 4.989 0.423 1
1 460 . 1 1 1 A 46 46 ILE CB C 46 41.988 42.697 -0.709 1
1 472 . 1 1 1 A 46 46 ILE C C 46 174.748 175.429 -0.681 1
1 474 . 1 1 1 A 47 47 GLY N N 47 110.148 115.210 -5.062 1
1 475 . 1 1 1 A 47 47 GLY H H 47 8.554 8.710 -0.156 1
1 476 . 1 1 1 A 47 47 GLY CA C 47 46.136 46.066 0.070 1
1 477 . 1 1 1 A 47 47 GLY HA3 H 47 4.604 4.274 0.330 1
1 478 . 1 1 1 A 47 47 GLY C C 47 171.583 173.200 -1.617 1
1 479 . 1 1 1 A 47 47 GLY HA2 H 47 3.933 4.266 -0.333 1
1 480 . 1 1 1 A 48 48 VAL N N 48 120.434 118.342 2.092 1
1 481 . 1 1 1 A 48 48 VAL H H 48 9.048 7.703 1.345 1
1 482 . 1 1 1 A 48 48 VAL CA C 48 61.060 62.324 -1.264 1
1 483 . 1 1 1 A 48 48 VAL HA H 48 5.143 4.085 1.058 1
1 484 . 1 1 1 A 48 48 VAL CB C 48 34.976 31.989 2.987 1
1 494 . 1 1 1 A 48 48 VAL C C 48 175.260 175.337 -0.077 1
1 495 . 1 1 1 A 49 49 HIS N N 49 127.718 127.064 0.654 1
1 496 . 1 1 1 A 49 49 HIS H H 49 9.556 8.899 0.657 1
1 497 . 1 1 1 A 49 49 HIS CA C 49 55.342 56.680 -1.338 1
1 498 . 1 1 1 A 49 49 HIS HA H 49 4.987 4.800 0.187 1
1 499 . 1 1 1 A 49 49 HIS CB C 49 34.476 30.860 3.616 1
1 505 . 1 1 1 A 49 49 HIS C C 49 173.822 174.552 -0.730 1
1 507 . 1 1 1 A 50 50 GLY N N 50 115.577 112.661 2.916 1
1 508 . 1 1 1 A 50 50 GLY H H 50 8.192 8.659 -0.467 1
1 509 . 1 1 1 A 50 50 GLY CA C 50 44.693 46.791 -2.098 1
1 510 . 1 1 1 A 50 50 GLY HA3 H 50 3.247 4.271 -1.024 1
1 511 . 1 1 1 A 50 50 GLY C C 50 171.437 174.074 -2.637 1
1 512 . 1 1 1 A 50 50 GLY HA2 H 50 3.722 4.246 -0.524 1
1 513 . 1 1 1 A 51 51 PRO CA C 51 64.376 64.912 -0.536 1
1 514 . 1 1 1 A 51 51 PRO HA H 51 4.104 4.480 -0.376 1
1 515 . 1 1 1 A 51 51 PRO CB C 51 32.141 32.008 0.133 1
1 521 . 1 1 1 A 51 51 PRO C C 51 177.607 178.054 -0.447 1
1 525 . 1 1 1 A 52 52 THR N N 52 109.088 109.781 -0.693 1
1 526 . 1 1 1 A 52 52 THR H H 52 8.447 8.180 0.267 1
1 527 . 1 1 1 A 52 52 THR CA C 52 62.861 63.510 -0.649 1
1 528 . 1 1 1 A 52 52 THR HA H 52 4.424 4.573 -0.149 1
1 529 . 1 1 1 A 52 52 THR CB C 52 70.329 71.288 -0.959 1
1 535 . 1 1 1 A 52 52 THR C C 52 174.926 174.036 0.890 1
1 536 . 1 1 1 A 53 53 THR N N 53 118.915 110.781 8.134 1
1 537 . 1 1 1 A 53 53 THR H H 53 7.983 7.693 0.290 1
1 538 . 1 1 1 A 53 53 THR CA C 53 59.878 58.474 1.404 1
1 539 . 1 1 1 A 53 53 THR HA H 53 4.751 4.865 -0.114 1
1 540 . 1 1 1 A 53 53 THR CB C 53 71.034 70.708 0.326 1
1 546 . 1 1 1 A 53 53 THR C C 53 172.019 172.096 -0.077 1
1 547 . 1 1 1 A 54 54 PRO CA C 54 62.614 62.318 0.296 1
1 548 . 1 1 1 A 54 54 PRO HA H 54 4.629 4.602 0.027 1
1 549 . 1 1 1 A 54 54 PRO CB C 54 32.845 32.774 0.071 1
1 555 . 1 1 1 A 54 54 PRO C C 54 177.751 175.793 1.958 1
1 559 . 1 1 1 A 55 55 CYS N N 55 121.538 121.214 0.324 1
1 560 . 1 1 1 A 55 55 CYS H H 55 8.938 8.608 0.330 1
1 561 . 1 1 1 A 55 55 CYS CA C 55 60.342 57.666 2.676 1
1 562 . 1 1 1 A 55 55 CYS HA H 55 4.563 4.883 -0.320 1
1 563 . 1 1 1 A 55 55 CYS CB C 55 27.534 29.821 -2.287 1
1 565 . 1 1 1 A 55 55 CYS C C 55 174.437 175.332 -0.895 1
1 567 . 1 1 1 A 56 56 GLU N N 56 124.530 124.123 0.407 1
1 568 . 1 1 1 A 56 56 GLU H H 56 8.450 9.071 -0.621 1
1 569 . 1 1 1 A 56 56 GLU CA C 56 59.363 59.218 0.145 1
1 570 . 1 1 1 A 56 56 GLU HA H 56 4.471 4.238 0.233 1
1 571 . 1 1 1 A 56 56 GLU CB C 56 31.217 30.612 0.605 1
1 575 . 1 1 1 A 56 56 GLU C C 56 176.847 176.650 0.197 1
1 578 . 1 1 1 A 57 57 GLU N N 57 114.661 114.022 0.639 1
1 579 . 1 1 1 A 57 57 GLU H H 57 7.478 7.755 -0.277 1
1 580 . 1 1 1 A 57 57 GLU CA C 57 55.551 55.477 0.074 1
1 581 . 1 1 1 A 57 57 GLU HA H 57 5.414 4.687 0.727 1
1 582 . 1 1 1 A 57 57 GLU CB C 57 34.084 31.625 2.459 1
1 586 . 1 1 1 A 57 57 GLU C C 57 174.400 173.860 0.540 1
1 589 . 1 1 1 A 58 58 VAL N N 58 123.611 119.820 3.791 1
1 590 . 1 1 1 A 58 58 VAL H H 58 8.605 8.412 0.193 1
1 591 . 1 1 1 A 58 58 VAL CA C 58 62.048 61.719 0.329 1
1 592 . 1 1 1 A 58 58 VAL HA H 58 4.941 4.782 0.159 1
1 593 . 1 1 1 A 58 58 VAL CB C 58 35.700 34.428 1.272 1
1 603 . 1 1 1 A 58 58 VAL C C 58 174.426 174.540 -0.114 1
1 604 . 1 1 1 A 59 59 SER N N 59 121.592 123.588 -1.996 1
1 605 . 1 1 1 A 59 59 SER H H 59 9.635 9.337 0.298 1
1 606 . 1 1 1 A 59 59 SER CA C 59 57.012 56.926 0.086 1
1 607 . 1 1 1 A 59 59 SER HA H 59 5.526 4.873 0.653 1
1 608 . 1 1 1 A 59 59 SER CB C 59 65.896 63.982 1.914 1
1 610 . 1 1 1 A 59 59 SER C C 59 172.465 173.410 -0.945 1
1 612 . 1 1 1 A 60 60 MET N N 60 122.508 127.457 -4.949 1
1 613 . 1 1 1 A 60 60 MET H H 60 9.435 9.061 0.374 1
1 614 . 1 1 1 A 60 60 MET CA C 60 54.541 53.899 0.642 1
1 615 . 1 1 1 A 60 60 MET HA H 60 5.352 5.633 -0.281 1
1 616 . 1 1 1 A 60 60 MET CB C 60 37.420 34.454 2.966 1
1 624 . 1 1 1 A 60 60 MET C C 60 174.616 175.290 -0.674 1
1 627 . 1 1 1 A 61 61 LYS N N 61 125.580 123.806 1.774 1
1 628 . 1 1 1 A 61 61 LYS H H 61 8.963 9.050 -0.087 1
1 629 . 1 1 1 A 61 61 LYS CA C 61 54.688 54.864 -0.176 1
1 630 . 1 1 1 A 61 61 LYS HA H 61 5.396 4.954 0.442 1
1 631 . 1 1 1 A 61 61 LYS CB C 61 36.412 36.147 0.265 1
1 639 . 1 1 1 A 61 61 LYS C C 61 175.548 175.071 0.477 1
1 644 . 1 1 1 A 62 62 HIS N N 62 125.822 125.213 0.609 1
1 645 . 1 1 1 A 62 62 HIS H H 62 8.967 9.063 -0.096 1
1 646 . 1 1 1 A 62 62 HIS CA C 62 55.674 53.997 1.677 1
1 647 . 1 1 1 A 62 62 HIS HA H 62 4.621 4.802 -0.181 1
1 648 . 1 1 1 A 62 62 HIS CB C 62 29.732 29.136 0.596 1
1 654 . 1 1 1 A 62 62 HIS C C 62 175.912 175.026 0.886 1
1 656 . 1 1 1 A 63 63 VAL N N 63 124.131 123.969 0.162 1
1 657 . 1 1 1 A 63 63 VAL H H 63 8.633 7.780 0.853 1
1 658 . 1 1 1 A 63 63 VAL CA C 63 61.288 64.193 -2.905 1
1 659 . 1 1 1 A 63 63 VAL HA H 63 4.299 3.663 0.636 1
1 660 . 1 1 1 A 63 63 VAL CB C 63 30.964 32.550 -1.586 1
1 670 . 1 1 1 A 63 63 VAL C C 63 175.339 175.412 -0.073 1
1 671 . 1 1 1 A 64 64 GLY N N 64 108.087 110.081 -1.994 1
1 672 . 1 1 1 A 64 64 GLY H H 64 5.406 6.934 -1.528 1
1 673 . 1 1 1 A 64 64 GLY CA C 64 44.979 43.848 1.131 1
1 674 . 1 1 1 A 64 64 GLY HA3 H 64 3.118 3.733 -0.615 1
1 675 . 1 1 1 A 64 64 GLY C C 64 174.125 174.148 -0.023 1
1 676 . 1 1 1 A 64 64 GLY HA2 H 64 4.287 3.079 1.208 1
1 677 . 1 1 1 A 65 65 ASN N N 65 118.292 117.081 1.211 1
1 678 . 1 1 1 A 65 65 ASN H H 65 9.260 9.237 0.023 1
1 679 . 1 1 1 A 65 65 ASN CA C 65 54.643 54.492 0.151 1
1 680 . 1 1 1 A 65 65 ASN HA H 65 4.401 4.403 -0.002 1
1 681 . 1 1 1 A 65 65 ASN CB C 65 37.695 37.048 0.647 1
1 686 . 1 1 1 A 65 65 ASN C C 65 174.079 174.695 -0.616 1
1 688 . 1 1 1 A 66 66 GLN N N 66 111.325 109.232 2.093 1
1 689 . 1 1 1 A 66 66 GLN H H 66 10.512 8.524 1.988 1
1 690 . 1 1 1 A 66 66 GLN CA C 66 57.009 57.223 -0.214 1
1 691 . 1 1 1 A 66 66 GLN HA H 66 3.713 3.997 -0.284 1
1 692 . 1 1 1 A 66 66 GLN CB C 66 24.986 26.507 -1.521 1
1 699 . 1 1 1 A 66 66 GLN C C 66 173.896 174.136 -0.240 1
1 702 . 1 1 1 A 67 67 GLN N N 67 115.692 117.299 -1.607 1
1 703 . 1 1 1 A 67 67 GLN H H 67 7.492 7.711 -0.219 1
1 704 . 1 1 1 A 67 67 GLN CA C 67 54.496 54.569 -0.073 1
1 705 . 1 1 1 A 67 67 GLN HA H 67 5.400 4.918 0.482 1
1 706 . 1 1 1 A 67 67 GLN CB C 67 29.896 31.089 -1.193 1
1 713 . 1 1 1 A 67 67 GLN C C 67 175.043 174.052 0.991 1
1 716 . 1 1 1 A 68 68 TYR N N 68 121.249 122.052 -0.803 1
1 717 . 1 1 1 A 68 68 TYR H H 68 9.573 8.904 0.669 1
1 718 . 1 1 1 A 68 68 TYR CA C 68 56.443 56.619 -0.176 1
1 719 . 1 1 1 A 68 68 TYR HA H 68 5.417 5.222 0.195 1
1 720 . 1 1 1 A 68 68 TYR CB C 68 41.249 40.370 0.879 1
1 730 . 1 1 1 A 68 68 TYR C C 68 174.846 174.648 0.198 1
1 732 . 1 1 1 A 69 69 ASN N N 69 122.429 123.872 -1.443 1
1 733 . 1 1 1 A 69 69 ASN H H 69 9.354 9.355 -0.001 1
1 734 . 1 1 1 A 69 69 ASN CA C 69 52.454 53.058 -0.604 1
1 735 . 1 1 1 A 69 69 ASN HA H 69 5.260 4.956 0.304 1
1 736 . 1 1 1 A 69 69 ASN CB C 69 40.922 40.378 0.544 1
1 741 . 1 1 1 A 69 69 ASN C C 69 174.835 174.187 0.648 1
1 743 . 1 1 1 A 70 70 VAL N N 70 131.599 126.312 5.287 1
1 744 . 1 1 1 A 70 70 VAL H H 70 9.157 7.924 1.233 1
1 745 . 1 1 1 A 70 70 VAL CA C 70 60.900 60.824 0.076 1
1 746 . 1 1 1 A 70 70 VAL HA H 70 4.910 5.049 -0.139 1
1 747 . 1 1 1 A 70 70 VAL CB C 70 31.882 34.153 -2.271 1
1 757 . 1 1 1 A 70 70 VAL C C 70 174.368 174.270 0.098 1
1 758 . 1 1 1 A 71 71 THR N N 71 119.213 121.566 -2.353 1
1 759 . 1 1 1 A 71 71 THR H H 71 8.996 8.915 0.081 1
1 760 . 1 1 1 A 71 71 THR CA C 71 59.796 61.017 -1.221 1
1 761 . 1 1 1 A 71 71 THR HA H 71 5.614 5.090 0.524 1
1 762 . 1 1 1 A 71 71 THR CB C 71 72.339 71.700 0.639 1
1 768 . 1 1 1 A 71 71 THR C C 71 173.260 173.151 0.109 1
1 769 . 1 1 1 A 72 72 TYR N N 72 121.105 120.620 0.485 1
1 770 . 1 1 1 A 72 72 TYR H H 72 9.200 8.381 0.819 1
1 771 . 1 1 1 A 72 72 TYR CA C 72 56.112 55.534 0.578 1
1 772 . 1 1 1 A 72 72 TYR HA H 72 5.600 5.591 0.009 1
1 773 . 1 1 1 A 72 72 TYR CB C 72 41.878 41.967 -0.089 1
1 783 . 1 1 1 A 72 72 TYR C C 72 173.176 173.208 -0.032 1
1 785 . 1 1 1 A 73 73 VAL N N 73 118.799 119.783 -0.984 1
1 786 . 1 1 1 A 73 73 VAL H H 73 8.214 8.756 -0.542 1
1 787 . 1 1 1 A 73 73 VAL CA C 73 61.111 61.283 -0.172 1
1 788 . 1 1 1 A 73 73 VAL HA H 73 4.514 4.852 -0.338 1
1 789 . 1 1 1 A 73 73 VAL CB C 73 35.729 35.586 0.143 1
1 799 . 1 1 1 A 73 73 VAL C C 73 175.529 175.358 0.171 1
1 800 . 1 1 1 A 74 74 VAL N N 74 121.061 121.604 -0.543 1
1 801 . 1 1 1 A 74 74 VAL H H 74 8.947 9.002 -0.055 1
1 802 . 1 1 1 A 74 74 VAL CA C 74 59.858 59.184 0.674 1
1 803 . 1 1 1 A 74 74 VAL HA H 74 4.785 4.985 -0.200 1
1 804 . 1 1 1 A 74 74 VAL CB C 74 32.795 34.621 -1.826 1
1 814 . 1 1 1 A 74 74 VAL C C 74 176.022 175.710 0.312 1
1 815 . 1 1 1 A 75 75 LYS N N 75 120.273 120.592 -0.319 1
1 816 . 1 1 1 A 75 75 LYS H H 75 9.404 8.789 0.615 1
1 817 . 1 1 1 A 75 75 LYS CA C 75 55.705 56.355 -0.650 1
1 818 . 1 1 1 A 75 75 LYS HA H 75 4.653 4.693 -0.040 1
1 819 . 1 1 1 A 75 75 LYS CB C 75 34.767 34.822 -0.055 1
1 827 . 1 1 1 A 75 75 LYS C C 75 175.025 176.339 -1.314 1
1 832 . 1 1 1 A 76 76 GLU N N 76 117.540 120.953 -3.413 1
1 833 . 1 1 1 A 76 76 GLU H H 76 7.224 7.908 -0.684 1
1 834 . 1 1 1 A 76 76 GLU CA C 76 54.893 55.081 -0.188 1
1 835 . 1 1 1 A 76 76 GLU HA H 76 4.747 4.974 -0.227 1
1 836 . 1 1 1 A 76 76 GLU CB C 76 33.199 33.329 -0.130 1
1 840 . 1 1 1 A 76 76 GLU C C 76 175.664 175.614 0.050 1
1 843 . 1 1 1 A 77 77 ARG N N 77 125.564 121.990 3.574 1
1 844 . 1 1 1 A 77 77 ARG H H 77 8.906 8.529 0.377 1
1 845 . 1 1 1 A 77 77 ARG CA C 77 56.610 54.152 2.458 1
1 846 . 1 1 1 A 77 77 ARG HA H 77 4.234 5.112 -0.878 1
1 847 . 1 1 1 A 77 77 ARG CB C 77 31.036 33.164 -2.128 1
1 855 . 1 1 1 A 77 77 ARG C C 77 174.779 175.193 -0.414 1
1 859 . 1 1 1 A 78 78 GLY N N 78 108.773 106.632 2.141 1
1 860 . 1 1 1 A 78 78 GLY H H 78 8.928 7.998 0.930 1
1 861 . 1 1 1 A 78 78 GLY CA C 78 44.418 44.629 -0.211 1
1 862 . 1 1 1 A 78 78 GLY HA3 H 78 3.770 4.226 -0.456 1
1 863 . 1 1 1 A 78 78 GLY C C 78 171.452 172.021 -0.569 1
1 864 . 1 1 1 A 78 78 GLY HA2 H 78 4.467 4.218 0.249 1
1 865 . 1 1 1 A 79 79 ASP N N 79 120.109 122.586 -2.477 1
1 866 . 1 1 1 A 79 79 ASP H H 79 8.070 8.348 -0.278 1
1 867 . 1 1 1 A 79 79 ASP CA C 79 54.204 53.751 0.453 1
1 868 . 1 1 1 A 79 79 ASP HA H 79 5.344 5.297 0.047 1
1 869 . 1 1 1 A 79 79 ASP CB C 79 42.148 42.209 -0.061 1
1 871 . 1 1 1 A 79 79 ASP C C 79 175.474 175.148 0.326 1
1 873 . 1 1 1 A 80 80 TYR N N 80 121.969 122.840 -0.871 1
1 874 . 1 1 1 A 80 80 TYR H H 80 9.412 9.638 -0.226 1
1 875 . 1 1 1 A 80 80 TYR CA C 80 56.872 56.435 0.437 1
1 876 . 1 1 1 A 80 80 TYR HA H 80 4.821 5.359 -0.538 1
1 877 . 1 1 1 A 80 80 TYR CB C 80 41.557 42.298 -0.741 1
1 887 . 1 1 1 A 80 80 TYR C C 80 175.552 175.249 0.303 1
1 889 . 1 1 1 A 81 81 VAL N N 81 121.669 120.225 1.444 1
1 890 . 1 1 1 A 81 81 VAL H H 81 8.688 8.871 -0.183 1
1 891 . 1 1 1 A 81 81 VAL CA C 81 61.217 61.470 -0.253 1
1 892 . 1 1 1 A 81 81 VAL HA H 81 4.606 4.785 -0.179 1
1 893 . 1 1 1 A 81 81 VAL CB C 81 33.990 34.196 -0.206 1
1 903 . 1 1 1 A 81 81 VAL C C 81 173.568 174.350 -0.782 1
1 904 . 1 1 1 A 82 82 LEU N N 82 129.806 130.456 -0.650 1
1 905 . 1 1 1 A 82 82 LEU H H 82 8.873 8.575 0.298 1
1 906 . 1 1 1 A 82 82 LEU CA C 82 53.321 53.999 -0.678 1
1 907 . 1 1 1 A 82 82 LEU HA H 82 5.150 4.874 0.276 1
1 908 . 1 1 1 A 82 82 LEU CB C 82 44.594 43.700 0.894 1
1 920 . 1 1 1 A 82 82 LEU C C 82 174.427 174.947 -0.520 1
1 922 . 1 1 1 A 83 83 ALA N N 83 128.482 129.763 -1.281 1
1 923 . 1 1 1 A 83 83 ALA H H 83 9.294 9.076 0.218 1
1 924 . 1 1 1 A 83 83 ALA CA C 83 50.133 50.412 -0.279 1
1 925 . 1 1 1 A 83 83 ALA HA H 83 5.081 5.129 -0.048 1
1 926 . 1 1 1 A 83 83 ALA CB C 83 21.500 20.329 1.171 1
1 930 . 1 1 1 A 83 83 ALA C C 83 174.991 175.949 -0.958 1
1 931 . 1 1 1 A 84 84 VAL N N 84 121.691 123.886 -2.195 1
1 932 . 1 1 1 A 84 84 VAL H H 84 9.222 9.062 0.160 1
1 933 . 1 1 1 A 84 84 VAL CA C 84 61.324 61.347 -0.023 1
1 934 . 1 1 1 A 84 84 VAL HA H 84 4.785 4.823 -0.038 1
1 935 . 1 1 1 A 84 84 VAL CB C 84 34.116 33.725 0.391 1
1 945 . 1 1 1 A 84 84 VAL C C 84 174.156 174.984 -0.828 1
1 946 . 1 1 1 A 85 85 LYS N N 85 124.020 126.352 -2.332 1
1 947 . 1 1 1 A 85 85 LYS H H 85 9.193 8.407 0.786 1
1 948 . 1 1 1 A 85 85 LYS CA C 85 54.222 54.443 -0.221 1
1 949 . 1 1 1 A 85 85 LYS HA H 85 4.958 5.192 -0.234 1
1 950 . 1 1 1 A 85 85 LYS CB C 85 34.814 35.407 -0.593 1
1 958 . 1 1 1 A 85 85 LYS C C 85 173.704 175.261 -1.557 1
1 963 . 1 1 1 A 86 86 TRP N N 86 123.429 124.447 -1.018 1
1 964 . 1 1 1 A 86 86 TRP H H 86 8.623 9.041 -0.418 1
1 965 . 1 1 1 A 86 86 TRP CA C 86 53.803 56.697 -2.894 1
1 966 . 1 1 1 A 86 86 TRP HA H 86 5.583 4.892 0.691 1
1 967 . 1 1 1 A 86 86 TRP CB C 86 32.084 31.267 0.817 1
1 981 . 1 1 1 A 86 86 TRP C C 86 176.916 175.784 1.132 1
1 983 . 1 1 1 A 87 87 GLY N N 87 116.722 114.754 1.968 1
1 984 . 1 1 1 A 87 87 GLY H H 87 8.782 8.605 0.177 1
1 985 . 1 1 1 A 87 87 GLY CA C 87 46.432 46.652 -0.220 1
1 986 . 1 1 1 A 87 87 GLY HA3 H 87 3.152 3.608 -0.456 1
1 987 . 1 1 1 A 87 87 GLY C C 87 173.838 174.062 -0.224 1
1 988 . 1 1 1 A 87 87 GLY HA2 H 87 3.732 3.352 0.380 1
1 989 . 1 1 1 A 88 88 GLU N N 88 122.405 110.566 11.839 1
1 990 . 1 1 1 A 88 88 GLU H H 88 8.592 8.431 0.161 1
1 991 . 1 1 1 A 88 88 GLU CA C 88 56.004 57.622 -1.618 1
1 992 . 1 1 1 A 88 88 GLU HA H 88 4.057 3.820 0.237 1
1 993 . 1 1 1 A 88 88 GLU CB C 88 29.764 27.240 2.524 1
1 997 . 1 1 1 A 88 88 GLU C C 88 176.465 174.852 1.613 1
1 1000 . 1 1 1 A 89 89 GLU N N 89 117.358 117.247 0.111 1
1 1001 . 1 1 1 A 89 89 GLU H H 89 7.226 7.600 -0.374 1
1 1002 . 1 1 1 A 89 89 GLU CA C 89 54.921 54.843 0.078 1
1 1003 . 1 1 1 A 89 89 GLU HA H 89 4.580 5.118 -0.538 1
1 1004 . 1 1 1 A 89 89 GLU CB C 89 33.160 34.529 -1.369 1
1 1008 . 1 1 1 A 89 89 GLU C C 89 175.674 175.007 0.667 1
1 1011 . 1 1 1 A 90 90 HIS N N 90 122.210 116.546 5.664 1
1 1012 . 1 1 1 A 90 90 HIS H H 90 8.603 8.843 -0.240 1
1 1013 . 1 1 1 A 90 90 HIS CA C 90 58.321 54.445 3.876 1
1 1014 . 1 1 1 A 90 90 HIS HA H 90 4.343 5.124 -0.781 1
1 1015 . 1 1 1 A 90 90 HIS CB C 90 32.786 31.969 0.817 1
1 1021 . 1 1 1 A 90 90 HIS C C 90 177.001 175.398 1.603 1
1 1023 . 1 1 1 A 91 91 ILE N N 91 117.760 122.369 -4.609 1
1 1024 . 1 1 1 A 91 91 ILE H H 91 8.289 8.141 0.148 1
1 1025 . 1 1 1 A 91 91 ILE CA C 91 61.019 60.258 0.761 1
1 1026 . 1 1 1 A 91 91 ILE HA H 91 4.482 4.263 0.219 1
1 1027 . 1 1 1 A 91 91 ILE CB C 91 35.655 37.821 -2.166 1
1 1039 . 1 1 1 A 91 91 ILE C C 91 173.231 175.462 -2.231 1
1 1041 . 1 1 1 A 92 92 PRO CA C 92 65.378 63.483 1.895 1
1 1042 . 1 1 1 A 92 92 PRO HA H 92 4.207 4.315 -0.108 1
1 1043 . 1 1 1 A 92 92 PRO CB C 92 31.301 31.072 0.229 1
1 1049 . 1 1 1 A 92 92 PRO C C 92 177.559 177.397 0.162 1
1 1053 . 1 1 1 A 93 93 GLY N N 93 115.174 113.168 2.006 1
1 1054 . 1 1 1 A 93 93 GLY H H 93 8.291 8.664 -0.373 1
1 1055 . 1 1 1 A 93 93 GLY CA C 93 44.729 44.751 -0.022 1
1 1056 . 1 1 1 A 93 93 GLY HA3 H 93 3.122 3.676 -0.554 1
1 1057 . 1 1 1 A 93 93 GLY C C 93 171.695 173.409 -1.714 1
1 1058 . 1 1 1 A 93 93 GLY HA2 H 93 4.116 3.539 0.577 1
1 1059 . 1 1 1 A 94 94 SER N N 94 112.948 116.824 -3.876 1
1 1060 . 1 1 1 A 94 94 SER H H 94 7.612 7.306 0.306 1
1 1061 . 1 1 1 A 94 94 SER CA C 94 54.585 55.102 -0.517 1
1 1062 . 1 1 1 A 94 94 SER HA H 94 4.002 4.449 -0.447 1
1 1063 . 1 1 1 A 94 94 SER CB C 94 62.348 64.576 -2.228 1
1 1065 . 1 1 1 A 94 94 SER C C 94 174.321 172.593 1.728 1
1 1067 . 1 1 1 A 95 95 PRO CA C 95 62.338 62.970 -0.632 1
1 1068 . 1 1 1 A 95 95 PRO HA H 95 5.296 4.805 0.491 1
1 1069 . 1 1 1 A 95 95 PRO CB C 95 33.730 32.554 1.176 1
1 1075 . 1 1 1 A 95 95 PRO C C 95 175.728 177.017 -1.289 1
1 1079 . 1 1 1 A 96 96 PHE N N 96 124.415 121.428 2.987 1
1 1080 . 1 1 1 A 96 96 PHE H H 96 9.643 8.419 1.224 1
1 1081 . 1 1 1 A 96 96 PHE CA C 96 57.405 57.962 -0.557 1
1 1082 . 1 1 1 A 96 96 PHE HA H 96 4.474 4.890 -0.416 1
1 1083 . 1 1 1 A 96 96 PHE CB C 96 40.160 39.842 0.318 1
1 1095 . 1 1 1 A 96 96 PHE C C 96 175.736 175.413 0.323 1
1 1097 . 1 1 1 A 97 97 HIS N N 97 121.364 121.953 -0.589 1
1 1098 . 1 1 1 A 97 97 HIS H H 97 8.898 9.003 -0.105 1
1 1099 . 1 1 1 A 97 97 HIS CA C 97 55.214 54.450 0.764 1
1 1100 . 1 1 1 A 97 97 HIS HA H 97 5.124 5.200 -0.076 1
1 1101 . 1 1 1 A 97 97 HIS CB C 97 29.981 31.283 -1.302 1
1 1107 . 1 1 1 A 97 97 HIS C C 97 173.895 173.297 0.598 1
1 1109 . 1 1 1 A 98 98 VAL N N 98 127.912 129.333 -1.421 1
1 1110 . 1 1 1 A 98 98 VAL H H 98 8.582 8.919 -0.337 1
1 1111 . 1 1 1 A 98 98 VAL CA C 98 61.467 61.387 0.080 1
1 1112 . 1 1 1 A 98 98 VAL HA H 98 4.096 4.702 -0.606 1
1 1113 . 1 1 1 A 98 98 VAL CB C 98 35.455 33.187 2.268 1
1 1123 . 1 1 1 A 98 98 VAL C C 98 174.874 175.149 -0.275 1
1 1124 . 1 1 1 A 99 99 THR N N 99 123.090 124.139 -1.049 1
1 1125 . 1 1 1 A 99 99 THR H H 99 8.117 8.828 -0.711 1
1 1126 . 1 1 1 A 99 99 THR CA C 99 62.031 61.716 0.315 1
1 1127 . 1 1 1 A 99 99 THR HA H 99 4.852 5.106 -0.254 1
1 1128 . 1 1 1 A 99 99 THR CB C 99 70.661 69.917 0.744 1
1 1134 . 1 1 1 A 99 99 THR C C 99 173.264 173.813 -0.549 1
1 1135 . 1 1 1 A 100 100 VAL N N 100 129.827 126.488 3.339 1
1 1136 . 1 1 1 A 100 100 VAL H H 100 8.812 9.087 -0.275 1
1 1137 . 1 1 1 A 100 100 VAL CA C 100 58.577 58.577 0.000 1
1 1138 . 1 1 1 A 100 100 VAL HA H 100 5.053 4.653 0.400 1
1 1139 . 1 1 1 A 100 100 VAL CB C 100 33.365 33.084 0.281 1
1 1149 . 1 1 1 A 100 100 VAL C C 100 174.927 174.272 0.655 1
1 1 . 2 1 1 A 6 6 SER CA C 6 58.666 56.736 1.930 1
1 2 . 2 1 1 A 6 6 SER HA H 6 4.514 5.354 -0.840 1
1 3 . 2 1 1 A 6 6 SER CB C 6 63.933 66.059 -2.126 1
1 5 . 2 1 1 A 6 6 SER C C 6 175.074 173.047 2.027 1
1 7 . 2 1 1 A 7 7 GLY N N 7 110.792 113.628 -2.836 1
1 8 . 2 1 1 A 7 7 GLY H H 7 8.450 8.355 0.095 1
1 9 . 2 1 1 A 7 7 GLY CA C 7 45.406 45.615 -0.209 1
1 10 . 2 1 1 A 7 7 GLY HA3 H 7 4.052 4.178 -0.126 1
1 11 . 2 1 1 A 7 7 GLY C C 7 174.270 172.555 1.715 1
1 12 . 2 1 1 A 7 7 GLY HA2 H 7 4.052 4.167 -0.115 1
1 13 . 2 1 1 A 8 8 SER N N 8 115.558 118.797 -3.239 1
1 14 . 2 1 1 A 8 8 SER H H 8 8.274 8.499 -0.225 1
1 15 . 2 1 1 A 8 8 SER CA C 8 58.332 58.817 -0.485 1
1 16 . 2 1 1 A 8 8 SER HA H 8 4.557 4.381 0.176 1
1 17 . 2 1 1 A 8 8 SER CB C 8 63.930 64.149 -0.219 1
1 19 . 2 1 1 A 8 8 SER C C 8 174.064 174.150 -0.086 1
1 21 . 2 1 1 A 9 9 SER N N 9 116.801 121.537 -4.736 1
1 22 . 2 1 1 A 9 9 SER H H 9 8.227 8.603 -0.376 1
1 23 . 2 1 1 A 9 9 SER CA C 9 58.075 57.433 0.642 1
1 24 . 2 1 1 A 9 9 SER HA H 9 5.001 5.196 -0.195 1
1 25 . 2 1 1 A 9 9 SER CB C 9 64.491 64.046 0.445 1
1 27 . 2 1 1 A 9 9 SER C C 9 174.318 173.094 1.224 1
1 29 . 2 1 1 A 10 10 ASP N N 10 122.324 127.734 -5.410 1
1 30 . 2 1 1 A 10 10 ASP H H 10 8.262 8.921 -0.659 1
1 31 . 2 1 1 A 10 10 ASP CA C 10 53.833 53.319 0.514 1
1 32 . 2 1 1 A 10 10 ASP HA H 10 4.892 5.168 -0.276 1
1 33 . 2 1 1 A 10 10 ASP CB C 10 41.497 42.770 -1.273 1
1 35 . 2 1 1 A 10 10 ASP C C 10 176.306 176.990 -0.684 1
1 37 . 2 1 1 A 11 11 ALA N N 11 126.255 129.202 -2.947 1
1 38 . 2 1 1 A 11 11 ALA H H 11 9.091 8.758 0.333 1
1 39 . 2 1 1 A 11 11 ALA CA C 11 54.713 55.073 -0.360 1
1 40 . 2 1 1 A 11 11 ALA HA H 11 4.056 4.109 -0.053 1
1 41 . 2 1 1 A 11 11 ALA CB C 11 20.177 18.486 1.691 1
1 45 . 2 1 1 A 11 11 ALA C C 11 177.950 179.482 -1.532 1
1 46 . 2 1 1 A 12 12 SER N N 12 110.658 113.648 -2.990 1
1 47 . 2 1 1 A 12 12 SER H H 12 8.224 8.030 0.194 1
1 48 . 2 1 1 A 12 12 SER CA C 12 60.857 60.991 -0.134 1
1 49 . 2 1 1 A 12 12 SER HA H 12 4.240 4.152 0.088 1
1 50 . 2 1 1 A 12 12 SER CB C 12 62.964 63.187 -0.223 1
1 52 . 2 1 1 A 12 12 SER C C 12 175.312 176.831 -1.519 1
1 54 . 2 1 1 A 13 13 LYS N N 13 119.063 118.206 0.857 1
1 55 . 2 1 1 A 13 13 LYS H H 13 7.349 7.673 -0.324 1
1 56 . 2 1 1 A 13 13 LYS CA C 13 54.948 57.014 -2.066 1
1 57 . 2 1 1 A 13 13 LYS HA H 13 4.293 4.367 -0.074 1
1 58 . 2 1 1 A 13 13 LYS CB C 13 33.037 33.026 0.011 1
1 66 . 2 1 1 A 13 13 LYS C C 13 177.263 177.202 0.061 1
1 71 . 2 1 1 A 14 14 VAL N N 14 124.317 121.413 2.904 1
1 72 . 2 1 1 A 14 14 VAL H H 14 7.500 7.157 0.343 1
1 73 . 2 1 1 A 14 14 VAL CA C 14 63.797 62.953 0.844 1
1 74 . 2 1 1 A 14 14 VAL HA H 14 3.870 3.691 0.179 1
1 75 . 2 1 1 A 14 14 VAL CB C 14 31.996 31.297 0.699 1
1 85 . 2 1 1 A 14 14 VAL C C 14 175.873 175.352 0.521 1
1 86 . 2 1 1 A 15 15 THR N N 15 117.704 118.787 -1.083 1
1 87 . 2 1 1 A 15 15 THR H H 15 8.197 8.804 -0.607 1
1 88 . 2 1 1 A 15 15 THR CA C 15 59.805 59.433 0.372 1
1 89 . 2 1 1 A 15 15 THR HA H 15 4.911 5.295 -0.384 1
1 90 . 2 1 1 A 15 15 THR CB C 15 71.373 71.939 -0.566 1
1 96 . 2 1 1 A 15 15 THR C C 15 172.695 174.045 -1.350 1
1 97 . 2 1 1 A 16 16 SER N N 16 113.256 116.533 -3.277 1
1 98 . 2 1 1 A 16 16 SER H H 16 8.442 8.943 -0.501 1
1 99 . 2 1 1 A 16 16 SER CA C 16 57.155 56.932 0.223 1
1 100 . 2 1 1 A 16 16 SER HA H 16 5.564 5.743 -0.179 1
1 101 . 2 1 1 A 16 16 SER CB C 16 66.124 65.882 0.242 1
1 103 . 2 1 1 A 16 16 SER C C 16 173.455 173.723 -0.268 1
1 105 . 2 1 1 A 17 17 LYS N N 17 117.543 120.650 -3.107 1
1 106 . 2 1 1 A 17 17 LYS H H 17 8.870 8.729 0.141 1
1 107 . 2 1 1 A 17 17 LYS CA C 17 56.063 54.316 1.747 1
1 108 . 2 1 1 A 17 17 LYS HA H 17 4.673 5.173 -0.500 1
1 109 . 2 1 1 A 17 17 LYS CB C 17 35.602 36.222 -0.620 1
1 117 . 2 1 1 A 17 17 LYS C C 17 174.625 175.269 -0.644 1
1 122 . 2 1 1 A 18 18 GLY N N 18 110.702 107.831 2.871 1
1 123 . 2 1 1 A 18 18 GLY H H 18 8.746 8.579 0.167 1
1 124 . 2 1 1 A 18 18 GLY CA C 18 44.501 45.158 -0.657 1
1 125 . 2 1 1 A 18 18 GLY HA3 H 18 3.998 4.331 -0.333 1
1 126 . 2 1 1 A 18 18 GLY C C 18 175.460 174.829 0.631 1
1 127 . 2 1 1 A 18 18 GLY HA2 H 18 4.947 4.283 0.664 1
1 128 . 2 1 1 A 19 19 ALA CA C 19 55.387 55.454 -0.067 1
1 129 . 2 1 1 A 19 19 ALA HA H 19 4.229 4.080 0.149 1
1 130 . 2 1 1 A 19 19 ALA CB C 19 18.689 18.368 0.321 1
1 134 . 2 1 1 A 19 19 ALA C C 19 179.606 179.564 0.042 1
1 135 . 2 1 1 A 20 20 GLY N N 20 101.587 107.228 -5.641 1
1 136 . 2 1 1 A 20 20 GLY H H 20 8.466 8.440 0.026 1
1 137 . 2 1 1 A 20 20 GLY CA C 20 46.078 47.152 -1.074 1
1 138 . 2 1 1 A 20 20 GLY HA3 H 20 3.596 3.881 -0.285 1
1 139 . 2 1 1 A 20 20 GLY C C 20 173.214 176.400 -3.186 1
1 140 . 2 1 1 A 20 20 GLY HA2 H 20 4.689 3.858 0.831 1
1 141 . 2 1 1 A 21 21 LEU N N 21 115.987 122.907 -6.920 1
1 142 . 2 1 1 A 21 21 LEU H H 21 6.928 7.937 -1.009 1
1 143 . 2 1 1 A 21 21 LEU CA C 21 55.567 57.143 -1.576 1
1 144 . 2 1 1 A 21 21 LEU HA H 21 3.404 3.720 -0.316 1
1 145 . 2 1 1 A 21 21 LEU CB C 21 41.702 40.775 0.927 1
1 157 . 2 1 1 A 21 21 LEU C C 21 175.989 179.376 -3.387 1
1 159 . 2 1 1 A 22 22 SER N N 22 106.483 113.351 -6.868 1
1 160 . 2 1 1 A 22 22 SER H H 22 7.808 8.035 -0.227 1
1 161 . 2 1 1 A 22 22 SER CA C 22 58.956 60.966 -2.010 1
1 162 . 2 1 1 A 22 22 SER HA H 22 4.901 4.491 0.410 1
1 163 . 2 1 1 A 22 22 SER CB C 22 66.238 63.733 2.505 1
1 165 . 2 1 1 A 22 22 SER C C 22 174.051 174.156 -0.105 1
1 167 . 2 1 1 A 23 23 LYS N N 23 124.757 115.381 9.376 1
1 168 . 2 1 1 A 23 23 LYS H H 23 8.399 8.117 0.282 1
1 169 . 2 1 1 A 23 23 LYS CA C 23 55.676 54.638 1.038 1
1 170 . 2 1 1 A 23 23 LYS HA H 23 4.973 4.866 0.107 1
1 171 . 2 1 1 A 23 23 LYS CB C 23 36.338 36.288 0.050 1
1 179 . 2 1 1 A 23 23 LYS C C 23 173.136 174.212 -1.076 1
1 184 . 2 1 1 A 24 24 ALA N N 24 123.565 121.635 1.930 1
1 185 . 2 1 1 A 24 24 ALA H H 24 7.541 8.652 -1.111 1
1 186 . 2 1 1 A 24 24 ALA CA C 24 51.148 50.774 0.374 1
1 187 . 2 1 1 A 24 24 ALA HA H 24 4.256 5.326 -1.070 1
1 188 . 2 1 1 A 24 24 ALA CB C 24 22.019 23.881 -1.862 1
1 192 . 2 1 1 A 24 24 ALA C C 24 173.515 175.834 -2.319 1
1 193 . 2 1 1 A 25 25 PHE N N 25 114.269 117.562 -3.293 1
1 194 . 2 1 1 A 25 25 PHE H H 25 7.858 8.999 -1.141 1
1 195 . 2 1 1 A 25 25 PHE CA C 25 55.809 56.325 -0.516 1
1 196 . 2 1 1 A 25 25 PHE HA H 25 5.191 5.011 0.180 1
1 197 . 2 1 1 A 25 25 PHE CB C 25 41.943 42.152 -0.209 1
1 209 . 2 1 1 A 25 25 PHE C C 25 177.046 175.641 1.405 1
1 211 . 2 1 1 A 26 26 VAL N N 26 123.270 122.859 0.411 1
1 212 . 2 1 1 A 26 26 VAL H H 26 9.338 8.629 0.709 1
1 213 . 2 1 1 A 26 26 VAL CA C 26 65.054 65.261 -0.207 1
1 214 . 2 1 1 A 26 26 VAL HA H 26 3.441 3.869 -0.428 1
1 215 . 2 1 1 A 26 26 VAL CB C 26 31.757 31.446 0.311 1
1 225 . 2 1 1 A 26 26 VAL C C 26 178.201 177.335 0.866 1
1 226 . 2 1 1 A 27 27 GLY N N 27 112.668 114.847 -2.179 1
1 227 . 2 1 1 A 27 27 GLY H H 27 8.862 8.828 0.034 1
1 228 . 2 1 1 A 27 27 GLY CA C 27 45.857 45.404 0.453 1
1 229 . 2 1 1 A 27 27 GLY HA3 H 27 4.229 4.044 0.185 1
1 230 . 2 1 1 A 27 27 GLY C C 27 173.411 174.118 -0.707 1
1 231 . 2 1 1 A 27 27 GLY HA2 H 27 3.631 4.042 -0.411 1
1 232 . 2 1 1 A 28 28 GLN N N 28 118.568 120.530 -1.962 1
1 233 . 2 1 1 A 28 28 GLN H H 28 7.755 8.297 -0.542 1
1 234 . 2 1 1 A 28 28 GLN CA C 28 53.825 56.707 -2.882 1
1 235 . 2 1 1 A 28 28 GLN HA H 28 4.690 4.310 0.380 1
1 236 . 2 1 1 A 28 28 GLN CB C 28 30.975 30.079 0.896 1
1 243 . 2 1 1 A 28 28 GLN C C 28 175.517 174.462 1.055 1
1 246 . 2 1 1 A 29 29 LYS N N 29 123.598 122.909 0.689 1
1 247 . 2 1 1 A 29 29 LYS H H 29 8.839 8.354 0.485 1
1 248 . 2 1 1 A 29 29 LYS CA C 29 57.587 54.479 3.108 1
1 249 . 2 1 1 A 29 29 LYS HA H 29 4.158 4.810 -0.652 1
1 250 . 2 1 1 A 29 29 LYS CB C 29 32.381 34.683 -2.302 1
1 258 . 2 1 1 A 29 29 LYS C C 29 176.190 174.492 1.698 1
1 263 . 2 1 1 A 30 30 SER N N 30 124.030 125.238 -1.208 1
1 264 . 2 1 1 A 30 30 SER H H 30 8.694 8.466 0.228 1
1 265 . 2 1 1 A 30 30 SER CA C 30 57.560 58.158 -0.598 1
1 266 . 2 1 1 A 30 30 SER HA H 30 4.758 4.984 -0.226 1
1 267 . 2 1 1 A 30 30 SER CB C 30 64.143 63.935 0.208 1
1 269 . 2 1 1 A 30 30 SER C C 30 173.413 173.515 -0.102 1
1 271 . 2 1 1 A 31 31 SER N N 31 116.828 119.068 -2.240 1
1 272 . 2 1 1 A 31 31 SER H H 31 8.894 8.643 0.251 1
1 273 . 2 1 1 A 31 31 SER CA C 31 57.132 55.782 1.350 1
1 274 . 2 1 1 A 31 31 SER HA H 31 6.181 5.504 0.677 1
1 275 . 2 1 1 A 31 31 SER CB C 31 67.745 66.335 1.410 1
1 277 . 2 1 1 A 31 31 SER C C 31 174.171 173.608 0.563 1
1 279 . 2 1 1 A 32 32 PHE N N 32 117.724 117.542 0.182 1
1 280 . 2 1 1 A 32 32 PHE H H 32 8.853 8.806 0.047 1
1 281 . 2 1 1 A 32 32 PHE CA C 32 57.190 56.059 1.131 1
1 282 . 2 1 1 A 32 32 PHE HA H 32 5.016 5.337 -0.321 1
1 283 . 2 1 1 A 32 32 PHE CB C 32 40.712 41.954 -1.242 1
1 295 . 2 1 1 A 32 32 PHE C C 32 170.765 172.257 -1.492 1
1 297 . 2 1 1 A 33 33 LEU N N 33 121.533 123.699 -2.166 1
1 298 . 2 1 1 A 33 33 LEU H H 33 9.223 8.812 0.411 1
1 299 . 2 1 1 A 33 33 LEU CA C 33 53.636 53.390 0.246 1
1 300 . 2 1 1 A 33 33 LEU HA H 33 5.531 5.437 0.094 1
1 301 . 2 1 1 A 33 33 LEU CB C 33 46.278 45.519 0.759 1
1 313 . 2 1 1 A 33 33 LEU C C 33 176.559 174.496 2.063 1
1 315 . 2 1 1 A 34 34 VAL N N 34 123.140 126.275 -3.135 1
1 316 . 2 1 1 A 34 34 VAL H H 34 9.257 8.780 0.477 1
1 317 . 2 1 1 A 34 34 VAL CA C 34 61.182 61.277 -0.095 1
1 318 . 2 1 1 A 34 34 VAL HA H 34 4.785 4.971 -0.186 1
1 319 . 2 1 1 A 34 34 VAL CB C 34 34.589 34.244 0.345 1
1 329 . 2 1 1 A 34 34 VAL C C 34 174.370 174.541 -0.171 1
1 330 . 2 1 1 A 35 35 ASP N N 35 126.353 127.718 -1.365 1
1 331 . 2 1 1 A 35 35 ASP H H 35 9.312 9.038 0.274 1
1 332 . 2 1 1 A 35 35 ASP CA C 35 53.298 54.366 -1.068 1
1 333 . 2 1 1 A 35 35 ASP HA H 35 5.229 5.029 0.200 1
1 334 . 2 1 1 A 35 35 ASP CB C 35 41.538 41.689 -0.151 1
1 336 . 2 1 1 A 35 35 ASP C C 35 176.980 176.981 -0.001 1
1 338 . 2 1 1 A 36 36 CYS N N 36 125.342 120.735 4.607 1
1 339 . 2 1 1 A 36 36 CYS H H 36 9.275 8.248 1.027 1
1 340 . 2 1 1 A 36 36 CYS CA C 36 57.367 57.874 -0.507 1
1 341 . 2 1 1 A 36 36 CYS HA H 36 4.374 4.580 -0.206 1
1 342 . 2 1 1 A 36 36 CYS CB C 36 28.369 27.881 0.488 1
1 344 . 2 1 1 A 36 36 CYS C C 36 177.015 175.976 1.039 1
1 346 . 2 1 1 A 37 37 SER N N 37 119.973 117.534 2.439 1
1 347 . 2 1 1 A 37 37 SER H H 37 9.039 8.255 0.784 1
1 348 . 2 1 1 A 37 37 SER CA C 37 62.787 61.225 1.562 1
1 349 . 2 1 1 A 37 37 SER HA H 37 3.932 4.284 -0.352 1
1 350 . 2 1 1 A 37 37 SER CB C 37 62.982 62.787 0.195 1
1 352 . 2 1 1 A 37 37 SER C C 37 176.290 175.517 0.773 1
1 354 . 2 1 1 A 38 38 LYS N N 38 120.815 119.580 1.235 1
1 355 . 2 1 1 A 38 38 LYS H H 38 8.676 7.827 0.849 1
1 356 . 2 1 1 A 38 38 LYS CA C 38 55.123 56.552 -1.429 1
1 357 . 2 1 1 A 38 38 LYS HA H 38 4.730 4.339 0.391 1
1 358 . 2 1 1 A 38 38 LYS CB C 38 32.250 32.731 -0.481 1
1 366 . 2 1 1 A 38 38 LYS C C 38 176.385 177.957 -1.572 1
1 371 . 2 1 1 A 39 39 ALA N N 39 121.594 121.250 0.344 1
1 372 . 2 1 1 A 39 39 ALA H H 39 7.322 8.017 -0.695 1
1 373 . 2 1 1 A 39 39 ALA CA C 39 52.127 54.308 -2.181 1
1 374 . 2 1 1 A 39 39 ALA HA H 39 4.436 4.232 0.204 1
1 375 . 2 1 1 A 39 39 ALA CB C 39 21.347 19.535 1.812 1
1 379 . 2 1 1 A 39 39 ALA C C 39 177.453 177.657 -0.204 1
1 380 . 2 1 1 A 40 40 GLY N N 40 111.873 103.560 8.313 1
1 381 . 2 1 1 A 40 40 GLY H H 40 8.755 7.429 1.326 1
1 382 . 2 1 1 A 40 40 GLY CA C 40 45.619 46.147 -0.528 1
1 383 . 2 1 1 A 40 40 GLY HA3 H 40 4.329 4.246 0.083 1
1 384 . 2 1 1 A 40 40 GLY C C 40 173.801 172.057 1.744 1
1 385 . 2 1 1 A 40 40 GLY HA2 H 40 3.754 4.212 -0.458 1
1 386 . 2 1 1 A 41 41 SER N N 41 117.149 114.445 2.704 1
1 387 . 2 1 1 A 41 41 SER H H 41 8.524 8.243 0.281 1
1 388 . 2 1 1 A 41 41 SER CA C 41 56.849 57.768 -0.919 1
1 389 . 2 1 1 A 41 41 SER HA H 41 5.010 5.197 -0.187 1
1 390 . 2 1 1 A 41 41 SER CB C 41 63.917 65.592 -1.675 1
1 392 . 2 1 1 A 41 41 SER C C 41 172.603 172.408 0.195 1
1 394 . 2 1 1 A 42 42 ASN N N 42 125.590 121.937 3.653 1
1 395 . 2 1 1 A 42 42 ASN H H 42 7.155 8.955 -1.800 1
1 396 . 2 1 1 A 42 42 ASN CA C 42 50.805 51.752 -0.947 1
1 397 . 2 1 1 A 42 42 ASN HA H 42 3.256 4.912 -1.656 1
1 398 . 2 1 1 A 42 42 ASN CB C 42 39.354 41.776 -2.422 1
1 403 . 2 1 1 A 42 42 ASN C C 42 170.908 173.262 -2.354 1
1 405 . 2 1 1 A 43 43 MET N N 43 115.129 119.406 -4.277 1
1 406 . 2 1 1 A 43 43 MET H H 43 8.366 8.270 0.096 1
1 407 . 2 1 1 A 43 43 MET CA C 43 53.424 53.140 0.284 1
1 408 . 2 1 1 A 43 43 MET HA H 43 4.102 5.039 -0.937 1
1 409 . 2 1 1 A 43 43 MET CB C 43 35.572 34.425 1.147 1
1 417 . 2 1 1 A 43 43 MET C C 43 173.140 174.345 -1.205 1
1 420 . 2 1 1 A 44 44 LEU N N 44 128.038 124.097 3.941 1
1 421 . 2 1 1 A 44 44 LEU H H 44 8.300 8.488 -0.188 1
1 422 . 2 1 1 A 44 44 LEU CA C 44 53.806 53.302 0.504 1
1 423 . 2 1 1 A 44 44 LEU HA H 44 5.331 5.161 0.170 1
1 424 . 2 1 1 A 44 44 LEU CB C 44 43.598 44.175 -0.577 1
1 436 . 2 1 1 A 44 44 LEU C C 44 175.236 175.744 -0.508 1
1 438 . 2 1 1 A 45 45 LEU N N 45 126.999 122.230 4.769 1
1 439 . 2 1 1 A 45 45 LEU H H 45 9.109 8.514 0.595 1
1 440 . 2 1 1 A 45 45 LEU CA C 45 54.800 52.500 2.300 1
1 441 . 2 1 1 A 45 45 LEU HA H 45 5.135 5.331 -0.196 1
1 442 . 2 1 1 A 45 45 LEU CB C 45 45.499 46.014 -0.515 1
1 454 . 2 1 1 A 45 45 LEU C C 45 175.167 175.434 -0.267 1
1 456 . 2 1 1 A 46 46 ILE N N 46 118.172 119.838 -1.666 1
1 457 . 2 1 1 A 46 46 ILE H H 46 7.966 8.820 -0.854 1
1 458 . 2 1 1 A 46 46 ILE CA C 46 58.091 59.553 -1.462 1
1 459 . 2 1 1 A 46 46 ILE HA H 46 5.412 5.031 0.381 1
1 460 . 2 1 1 A 46 46 ILE CB C 46 41.988 42.249 -0.261 1
1 472 . 2 1 1 A 46 46 ILE C C 46 174.748 175.684 -0.936 1
1 474 . 2 1 1 A 47 47 GLY N N 47 110.148 116.165 -6.017 1
1 475 . 2 1 1 A 47 47 GLY H H 47 8.554 8.652 -0.098 1
1 476 . 2 1 1 A 47 47 GLY CA C 47 46.136 46.162 -0.026 1
1 477 . 2 1 1 A 47 47 GLY HA3 H 47 4.604 4.263 0.341 1
1 478 . 2 1 1 A 47 47 GLY C C 47 171.583 174.081 -2.498 1
1 479 . 2 1 1 A 47 47 GLY HA2 H 47 3.933 4.240 -0.307 1
1 480 . 2 1 1 A 48 48 VAL N N 48 120.434 117.990 2.444 1
1 481 . 2 1 1 A 48 48 VAL H H 48 9.048 7.674 1.374 1
1 482 . 2 1 1 A 48 48 VAL CA C 48 61.060 62.361 -1.301 1
1 483 . 2 1 1 A 48 48 VAL HA H 48 5.143 4.104 1.039 1
1 484 . 2 1 1 A 48 48 VAL CB C 48 34.976 31.469 3.507 1
1 494 . 2 1 1 A 48 48 VAL C C 48 175.260 175.174 0.086 1
1 495 . 2 1 1 A 49 49 HIS N N 49 127.718 127.502 0.216 1
1 496 . 2 1 1 A 49 49 HIS H H 49 9.556 8.948 0.608 1
1 497 . 2 1 1 A 49 49 HIS CA C 49 55.342 56.636 -1.294 1
1 498 . 2 1 1 A 49 49 HIS HA H 49 4.987 4.812 0.175 1
1 499 . 2 1 1 A 49 49 HIS CB C 49 34.476 30.873 3.603 1
1 505 . 2 1 1 A 49 49 HIS C C 49 173.822 174.634 -0.812 1
1 507 . 2 1 1 A 50 50 GLY N N 50 115.577 112.111 3.466 1
1 508 . 2 1 1 A 50 50 GLY H H 50 8.192 8.792 -0.600 1
1 509 . 2 1 1 A 50 50 GLY CA C 50 44.693 46.825 -2.132 1
1 510 . 2 1 1 A 50 50 GLY HA3 H 50 3.247 4.366 -1.119 1
1 511 . 2 1 1 A 50 50 GLY C C 50 171.437 174.086 -2.649 1
1 512 . 2 1 1 A 50 50 GLY HA2 H 50 3.722 4.343 -0.621 1
1 513 . 2 1 1 A 51 51 PRO CA C 51 64.376 65.125 -0.749 1
1 514 . 2 1 1 A 51 51 PRO HA H 51 4.104 4.363 -0.259 1
1 515 . 2 1 1 A 51 51 PRO CB C 51 32.141 32.029 0.112 1
1 521 . 2 1 1 A 51 51 PRO C C 51 177.607 178.240 -0.633 1
1 525 . 2 1 1 A 52 52 THR N N 52 109.088 109.639 -0.551 1
1 526 . 2 1 1 A 52 52 THR H H 52 8.447 7.787 0.660 1
1 527 . 2 1 1 A 52 52 THR CA C 52 62.861 63.575 -0.714 1
1 528 . 2 1 1 A 52 52 THR HA H 52 4.424 4.513 -0.089 1
1 529 . 2 1 1 A 52 52 THR CB C 52 70.329 71.157 -0.828 1
1 535 . 2 1 1 A 52 52 THR C C 52 174.926 173.390 1.536 1
1 536 . 2 1 1 A 53 53 THR N N 53 118.915 112.625 6.290 1
1 537 . 2 1 1 A 53 53 THR H H 53 7.983 7.785 0.198 1
1 538 . 2 1 1 A 53 53 THR CA C 53 59.878 59.097 0.781 1
1 539 . 2 1 1 A 53 53 THR HA H 53 4.751 4.821 -0.070 1
1 540 . 2 1 1 A 53 53 THR CB C 53 71.034 71.990 -0.956 1
1 546 . 2 1 1 A 53 53 THR C C 53 172.019 172.090 -0.071 1
1 547 . 2 1 1 A 54 54 PRO CA C 54 62.614 62.383 0.231 1
1 548 . 2 1 1 A 54 54 PRO HA H 54 4.629 4.622 0.007 1
1 549 . 2 1 1 A 54 54 PRO CB C 54 32.845 32.639 0.206 1
1 555 . 2 1 1 A 54 54 PRO C C 54 177.751 175.676 2.075 1
1 559 . 2 1 1 A 55 55 CYS N N 55 121.538 120.543 0.995 1
1 560 . 2 1 1 A 55 55 CYS H H 55 8.938 8.618 0.320 1
1 561 . 2 1 1 A 55 55 CYS CA C 55 60.342 58.713 1.629 1
1 562 . 2 1 1 A 55 55 CYS HA H 55 4.563 4.902 -0.339 1
1 563 . 2 1 1 A 55 55 CYS CB C 55 27.534 29.452 -1.918 1
1 565 . 2 1 1 A 55 55 CYS C C 55 174.437 175.933 -1.496 1
1 567 . 2 1 1 A 56 56 GLU N N 56 124.530 123.812 0.718 1
1 568 . 2 1 1 A 56 56 GLU H H 56 8.450 9.326 -0.876 1
1 569 . 2 1 1 A 56 56 GLU CA C 56 59.363 58.897 0.466 1
1 570 . 2 1 1 A 56 56 GLU HA H 56 4.471 4.174 0.297 1
1 571 . 2 1 1 A 56 56 GLU CB C 56 31.217 30.605 0.612 1
1 575 . 2 1 1 A 56 56 GLU C C 56 176.847 176.270 0.577 1
1 578 . 2 1 1 A 57 57 GLU N N 57 114.661 113.981 0.680 1
1 579 . 2 1 1 A 57 57 GLU H H 57 7.478 7.749 -0.271 1
1 580 . 2 1 1 A 57 57 GLU CA C 57 55.551 55.483 0.068 1
1 581 . 2 1 1 A 57 57 GLU HA H 57 5.414 4.687 0.727 1
1 582 . 2 1 1 A 57 57 GLU CB C 57 34.084 31.601 2.483 1
1 586 . 2 1 1 A 57 57 GLU C C 57 174.400 173.881 0.519 1
1 589 . 2 1 1 A 58 58 VAL N N 58 123.611 120.432 3.179 1
1 590 . 2 1 1 A 58 58 VAL H H 58 8.605 8.396 0.209 1
1 591 . 2 1 1 A 58 58 VAL CA C 58 62.048 61.729 0.319 1
1 592 . 2 1 1 A 58 58 VAL HA H 58 4.941 4.781 0.160 1
1 593 . 2 1 1 A 58 58 VAL CB C 58 35.700 34.454 1.246 1
1 603 . 2 1 1 A 58 58 VAL C C 58 174.426 174.327 0.099 1
1 604 . 2 1 1 A 59 59 SER N N 59 121.592 123.499 -1.907 1
1 605 . 2 1 1 A 59 59 SER H H 59 9.635 9.082 0.553 1
1 606 . 2 1 1 A 59 59 SER CA C 59 57.012 56.767 0.245 1
1 607 . 2 1 1 A 59 59 SER HA H 59 5.526 4.919 0.607 1
1 608 . 2 1 1 A 59 59 SER CB C 59 65.896 64.206 1.690 1
1 610 . 2 1 1 A 59 59 SER C C 59 172.465 173.370 -0.905 1
1 612 . 2 1 1 A 60 60 MET N N 60 122.508 127.176 -4.668 1
1 613 . 2 1 1 A 60 60 MET H H 60 9.435 9.068 0.367 1
1 614 . 2 1 1 A 60 60 MET CA C 60 54.541 53.947 0.594 1
1 615 . 2 1 1 A 60 60 MET HA H 60 5.352 5.786 -0.434 1
1 616 . 2 1 1 A 60 60 MET CB C 60 37.420 34.365 3.055 1
1 624 . 2 1 1 A 60 60 MET C C 60 174.616 174.945 -0.329 1
1 627 . 2 1 1 A 61 61 LYS N N 61 125.580 123.692 1.888 1
1 628 . 2 1 1 A 61 61 LYS H H 61 8.963 9.102 -0.139 1
1 629 . 2 1 1 A 61 61 LYS CA C 61 54.688 54.757 -0.069 1
1 630 . 2 1 1 A 61 61 LYS HA H 61 5.396 4.943 0.453 1
1 631 . 2 1 1 A 61 61 LYS CB C 61 36.412 36.203 0.209 1
1 639 . 2 1 1 A 61 61 LYS C C 61 175.548 175.107 0.441 1
1 644 . 2 1 1 A 62 62 HIS N N 62 125.822 124.190 1.632 1
1 645 . 2 1 1 A 62 62 HIS H H 62 8.967 8.951 0.016 1
1 646 . 2 1 1 A 62 62 HIS CA C 62 55.674 53.877 1.797 1
1 647 . 2 1 1 A 62 62 HIS HA H 62 4.621 4.783 -0.162 1
1 648 . 2 1 1 A 62 62 HIS CB C 62 29.732 28.843 0.889 1
1 654 . 2 1 1 A 62 62 HIS C C 62 175.912 175.111 0.801 1
1 656 . 2 1 1 A 63 63 VAL N N 63 124.131 124.028 0.103 1
1 657 . 2 1 1 A 63 63 VAL H H 63 8.633 7.725 0.908 1
1 658 . 2 1 1 A 63 63 VAL CA C 63 61.288 64.324 -3.036 1
1 659 . 2 1 1 A 63 63 VAL HA H 63 4.299 3.669 0.630 1
1 660 . 2 1 1 A 63 63 VAL CB C 63 30.964 32.353 -1.389 1
1 670 . 2 1 1 A 63 63 VAL C C 63 175.339 175.442 -0.103 1
1 671 . 2 1 1 A 64 64 GLY N N 64 108.087 109.587 -1.500 1
1 672 . 2 1 1 A 64 64 GLY H H 64 5.406 6.821 -1.415 1
1 673 . 2 1 1 A 64 64 GLY CA C 64 44.979 43.308 1.671 1
1 674 . 2 1 1 A 64 64 GLY HA3 H 64 3.118 3.781 -0.663 1
1 675 . 2 1 1 A 64 64 GLY C C 64 174.125 173.562 0.563 1
1 676 . 2 1 1 A 64 64 GLY HA2 H 64 4.287 3.211 1.076 1
1 677 . 2 1 1 A 65 65 ASN N N 65 118.292 117.452 0.840 1
1 678 . 2 1 1 A 65 65 ASN H H 65 9.260 9.271 -0.011 1
1 679 . 2 1 1 A 65 65 ASN CA C 65 54.643 54.506 0.137 1
1 680 . 2 1 1 A 65 65 ASN HA H 65 4.401 4.401 0.000 1
1 681 . 2 1 1 A 65 65 ASN CB C 65 37.695 36.900 0.795 1
1 686 . 2 1 1 A 65 65 ASN C C 65 174.079 174.662 -0.583 1
1 688 . 2 1 1 A 66 66 GLN N N 66 111.325 109.046 2.279 1
1 689 . 2 1 1 A 66 66 GLN H H 66 10.512 8.515 1.997 1
1 690 . 2 1 1 A 66 66 GLN CA C 66 57.009 57.272 -0.263 1
1 691 . 2 1 1 A 66 66 GLN HA H 66 3.713 3.956 -0.243 1
1 692 . 2 1 1 A 66 66 GLN CB C 66 24.986 26.646 -1.660 1
1 699 . 2 1 1 A 66 66 GLN C C 66 173.896 174.312 -0.416 1
1 702 . 2 1 1 A 67 67 GLN N N 67 115.692 117.297 -1.605 1
1 703 . 2 1 1 A 67 67 GLN H H 67 7.492 7.591 -0.099 1
1 704 . 2 1 1 A 67 67 GLN CA C 67 54.496 54.459 0.037 1
1 705 . 2 1 1 A 67 67 GLN HA H 67 5.400 4.923 0.477 1
1 706 . 2 1 1 A 67 67 GLN CB C 67 29.896 31.525 -1.629 1
1 713 . 2 1 1 A 67 67 GLN C C 67 175.043 174.276 0.767 1
1 716 . 2 1 1 A 68 68 TYR N N 68 121.249 121.123 0.126 1
1 717 . 2 1 1 A 68 68 TYR H H 68 9.573 8.748 0.825 1
1 718 . 2 1 1 A 68 68 TYR CA C 68 56.443 56.668 -0.225 1
1 719 . 2 1 1 A 68 68 TYR HA H 68 5.417 5.107 0.310 1
1 720 . 2 1 1 A 68 68 TYR CB C 68 41.249 40.587 0.662 1
1 730 . 2 1 1 A 68 68 TYR C C 68 174.846 174.490 0.356 1
1 732 . 2 1 1 A 69 69 ASN N N 69 122.429 123.822 -1.393 1
1 733 . 2 1 1 A 69 69 ASN H H 69 9.354 9.413 -0.059 1
1 734 . 2 1 1 A 69 69 ASN CA C 69 52.454 52.762 -0.308 1
1 735 . 2 1 1 A 69 69 ASN HA H 69 5.260 4.990 0.270 1
1 736 . 2 1 1 A 69 69 ASN CB C 69 40.922 40.425 0.497 1
1 741 . 2 1 1 A 69 69 ASN C C 69 174.835 174.237 0.598 1
1 743 . 2 1 1 A 70 70 VAL N N 70 131.599 126.522 5.077 1
1 744 . 2 1 1 A 70 70 VAL H H 70 9.157 8.218 0.939 1
1 745 . 2 1 1 A 70 70 VAL CA C 70 60.900 60.594 0.306 1
1 746 . 2 1 1 A 70 70 VAL HA H 70 4.910 5.028 -0.118 1
1 747 . 2 1 1 A 70 70 VAL CB C 70 31.882 34.247 -2.365 1
1 757 . 2 1 1 A 70 70 VAL C C 70 174.368 174.504 -0.136 1
1 758 . 2 1 1 A 71 71 THR N N 71 119.213 121.360 -2.147 1
1 759 . 2 1 1 A 71 71 THR H H 71 8.996 8.741 0.255 1
1 760 . 2 1 1 A 71 71 THR CA C 71 59.796 60.896 -1.100 1
1 761 . 2 1 1 A 71 71 THR HA H 71 5.614 5.320 0.294 1
1 762 . 2 1 1 A 71 71 THR CB C 71 72.339 71.981 0.358 1
1 768 . 2 1 1 A 71 71 THR C C 71 173.260 173.240 0.020 1
1 769 . 2 1 1 A 72 72 TYR N N 72 121.105 121.246 -0.141 1
1 770 . 2 1 1 A 72 72 TYR H H 72 9.200 8.556 0.644 1
1 771 . 2 1 1 A 72 72 TYR CA C 72 56.112 55.527 0.585 1
1 772 . 2 1 1 A 72 72 TYR HA H 72 5.600 5.647 -0.047 1
1 773 . 2 1 1 A 72 72 TYR CB C 72 41.878 41.939 -0.061 1
1 783 . 2 1 1 A 72 72 TYR C C 72 173.176 173.318 -0.142 1
1 785 . 2 1 1 A 73 73 VAL N N 73 118.799 119.683 -0.884 1
1 786 . 2 1 1 A 73 73 VAL H H 73 8.214 8.752 -0.538 1
1 787 . 2 1 1 A 73 73 VAL CA C 73 61.111 61.484 -0.373 1
1 788 . 2 1 1 A 73 73 VAL HA H 73 4.514 4.856 -0.342 1
1 789 . 2 1 1 A 73 73 VAL CB C 73 35.729 34.865 0.864 1
1 799 . 2 1 1 A 73 73 VAL C C 73 175.529 174.768 0.761 1
1 800 . 2 1 1 A 74 74 VAL N N 74 121.061 123.840 -2.779 1
1 801 . 2 1 1 A 74 74 VAL H H 74 8.947 8.865 0.082 1
1 802 . 2 1 1 A 74 74 VAL CA C 74 59.858 60.854 -0.996 1
1 803 . 2 1 1 A 74 74 VAL HA H 74 4.785 4.748 0.037 1
1 804 . 2 1 1 A 74 74 VAL CB C 74 32.795 32.825 -0.030 1
1 814 . 2 1 1 A 74 74 VAL C C 74 176.022 176.461 -0.439 1
1 815 . 2 1 1 A 75 75 LYS N N 75 120.273 126.009 -5.736 1
1 816 . 2 1 1 A 75 75 LYS H H 75 9.404 9.015 0.389 1
1 817 . 2 1 1 A 75 75 LYS CA C 75 55.705 56.534 -0.829 1
1 818 . 2 1 1 A 75 75 LYS HA H 75 4.653 4.515 0.138 1
1 819 . 2 1 1 A 75 75 LYS CB C 75 34.767 33.046 1.721 1
1 827 . 2 1 1 A 75 75 LYS C C 75 175.025 176.021 -0.996 1
1 832 . 2 1 1 A 76 76 GLU N N 76 117.540 119.616 -2.076 1
1 833 . 2 1 1 A 76 76 GLU H H 76 7.224 7.727 -0.503 1
1 834 . 2 1 1 A 76 76 GLU CA C 76 54.893 55.658 -0.765 1
1 835 . 2 1 1 A 76 76 GLU HA H 76 4.747 4.871 -0.124 1
1 836 . 2 1 1 A 76 76 GLU CB C 76 33.199 33.182 0.017 1
1 840 . 2 1 1 A 76 76 GLU C C 76 175.664 174.941 0.723 1
1 843 . 2 1 1 A 77 77 ARG N N 77 125.564 120.710 4.854 1
1 844 . 2 1 1 A 77 77 ARG H H 77 8.906 8.704 0.202 1
1 845 . 2 1 1 A 77 77 ARG CA C 77 56.610 54.201 2.409 1
1 846 . 2 1 1 A 77 77 ARG HA H 77 4.234 5.107 -0.873 1
1 847 . 2 1 1 A 77 77 ARG CB C 77 31.036 32.630 -1.594 1
1 855 . 2 1 1 A 77 77 ARG C C 77 174.779 175.162 -0.383 1
1 859 . 2 1 1 A 78 78 GLY N N 78 108.773 107.182 1.591 1
1 860 . 2 1 1 A 78 78 GLY H H 78 8.928 8.422 0.506 1
1 861 . 2 1 1 A 78 78 GLY CA C 78 44.418 44.017 0.401 1
1 862 . 2 1 1 A 78 78 GLY HA3 H 78 3.770 4.111 -0.341 1
1 863 . 2 1 1 A 78 78 GLY C C 78 171.452 173.065 -1.613 1
1 864 . 2 1 1 A 78 78 GLY HA2 H 78 4.467 4.056 0.411 1
1 865 . 2 1 1 A 79 79 ASP N N 79 120.109 119.852 0.257 1
1 866 . 2 1 1 A 79 79 ASP H H 79 8.070 8.333 -0.263 1
1 867 . 2 1 1 A 79 79 ASP CA C 79 54.204 52.751 1.453 1
1 868 . 2 1 1 A 79 79 ASP HA H 79 5.344 5.300 0.044 1
1 869 . 2 1 1 A 79 79 ASP CB C 79 42.148 41.620 0.528 1
1 871 . 2 1 1 A 79 79 ASP C C 79 175.474 174.813 0.661 1
1 873 . 2 1 1 A 80 80 TYR N N 80 121.969 124.772 -2.803 1
1 874 . 2 1 1 A 80 80 TYR H H 80 9.412 9.048 0.364 1
1 875 . 2 1 1 A 80 80 TYR CA C 80 56.872 57.945 -1.073 1
1 876 . 2 1 1 A 80 80 TYR HA H 80 4.821 4.892 -0.071 1
1 877 . 2 1 1 A 80 80 TYR CB C 80 41.557 40.206 1.351 1
1 887 . 2 1 1 A 80 80 TYR C C 80 175.552 175.966 -0.414 1
1 889 . 2 1 1 A 81 81 VAL N N 81 121.669 120.368 1.301 1
1 890 . 2 1 1 A 81 81 VAL H H 81 8.688 8.765 -0.077 1
1 891 . 2 1 1 A 81 81 VAL CA C 81 61.217 61.511 -0.294 1
1 892 . 2 1 1 A 81 81 VAL HA H 81 4.606 4.698 -0.092 1
1 893 . 2 1 1 A 81 81 VAL CB C 81 33.990 33.918 0.072 1
1 903 . 2 1 1 A 81 81 VAL C C 81 173.568 174.429 -0.861 1
1 904 . 2 1 1 A 82 82 LEU N N 82 129.806 130.545 -0.739 1
1 905 . 2 1 1 A 82 82 LEU H H 82 8.873 8.714 0.159 1
1 906 . 2 1 1 A 82 82 LEU CA C 82 53.321 54.022 -0.701 1
1 907 . 2 1 1 A 82 82 LEU HA H 82 5.150 4.867 0.283 1
1 908 . 2 1 1 A 82 82 LEU CB C 82 44.594 43.328 1.266 1
1 920 . 2 1 1 A 82 82 LEU C C 82 174.427 174.814 -0.387 1
1 922 . 2 1 1 A 83 83 ALA N N 83 128.482 130.315 -1.833 1
1 923 . 2 1 1 A 83 83 ALA H H 83 9.294 9.077 0.217 1
1 924 . 2 1 1 A 83 83 ALA CA C 83 50.133 50.316 -0.183 1
1 925 . 2 1 1 A 83 83 ALA HA H 83 5.081 5.321 -0.240 1
1 926 . 2 1 1 A 83 83 ALA CB C 83 21.500 20.753 0.747 1
1 930 . 2 1 1 A 83 83 ALA C C 83 174.991 176.103 -1.112 1
1 931 . 2 1 1 A 84 84 VAL N N 84 121.691 124.047 -2.356 1
1 932 . 2 1 1 A 84 84 VAL H H 84 9.222 9.028 0.194 1
1 933 . 2 1 1 A 84 84 VAL CA C 84 61.324 61.302 0.022 1
1 934 . 2 1 1 A 84 84 VAL HA H 84 4.785 4.829 -0.044 1
1 935 . 2 1 1 A 84 84 VAL CB C 84 34.116 34.103 0.013 1
1 945 . 2 1 1 A 84 84 VAL C C 84 174.156 174.786 -0.630 1
1 946 . 2 1 1 A 85 85 LYS N N 85 124.020 126.546 -2.526 1
1 947 . 2 1 1 A 85 85 LYS H H 85 9.193 8.523 0.670 1
1 948 . 2 1 1 A 85 85 LYS CA C 85 54.222 54.419 -0.197 1
1 949 . 2 1 1 A 85 85 LYS HA H 85 4.958 5.229 -0.271 1
1 950 . 2 1 1 A 85 85 LYS CB C 85 34.814 35.636 -0.822 1
1 958 . 2 1 1 A 85 85 LYS C C 85 173.704 175.295 -1.591 1
1 963 . 2 1 1 A 86 86 TRP N N 86 123.429 124.329 -0.900 1
1 964 . 2 1 1 A 86 86 TRP H H 86 8.623 8.917 -0.294 1
1 965 . 2 1 1 A 86 86 TRP CA C 86 53.803 56.571 -2.768 1
1 966 . 2 1 1 A 86 86 TRP HA H 86 5.583 4.940 0.643 1
1 967 . 2 1 1 A 86 86 TRP CB C 86 32.084 31.905 0.179 1
1 981 . 2 1 1 A 86 86 TRP C C 86 176.916 175.905 1.011 1
1 983 . 2 1 1 A 87 87 GLY N N 87 116.722 114.901 1.821 1
1 984 . 2 1 1 A 87 87 GLY H H 87 8.782 8.808 -0.026 1
1 985 . 2 1 1 A 87 87 GLY CA C 87 46.432 46.635 -0.203 1
1 986 . 2 1 1 A 87 87 GLY HA3 H 87 3.152 3.594 -0.442 1
1 987 . 2 1 1 A 87 87 GLY C C 87 173.838 174.071 -0.233 1
1 988 . 2 1 1 A 87 87 GLY HA2 H 87 3.732 3.414 0.318 1
1 989 . 2 1 1 A 88 88 GLU N N 88 122.405 110.608 11.797 1
1 990 . 2 1 1 A 88 88 GLU H H 88 8.592 8.422 0.170 1
1 991 . 2 1 1 A 88 88 GLU CA C 88 56.004 57.501 -1.497 1
1 992 . 2 1 1 A 88 88 GLU HA H 88 4.057 3.821 0.236 1
1 993 . 2 1 1 A 88 88 GLU CB C 88 29.764 27.287 2.477 1
1 997 . 2 1 1 A 88 88 GLU C C 88 176.465 174.851 1.614 1
1 1000 . 2 1 1 A 89 89 GLU N N 89 117.358 117.107 0.251 1
1 1001 . 2 1 1 A 89 89 GLU H H 89 7.226 7.578 -0.352 1
1 1002 . 2 1 1 A 89 89 GLU CA C 89 54.921 54.836 0.085 1
1 1003 . 2 1 1 A 89 89 GLU HA H 89 4.580 5.149 -0.569 1
1 1004 . 2 1 1 A 89 89 GLU CB C 89 33.160 34.444 -1.284 1
1 1008 . 2 1 1 A 89 89 GLU C C 89 175.674 174.766 0.908 1
1 1011 . 2 1 1 A 90 90 HIS N N 90 122.210 116.529 5.681 1
1 1012 . 2 1 1 A 90 90 HIS H H 90 8.603 8.830 -0.227 1
1 1013 . 2 1 1 A 90 90 HIS CA C 90 58.321 54.486 3.835 1
1 1014 . 2 1 1 A 90 90 HIS HA H 90 4.343 5.228 -0.885 1
1 1015 . 2 1 1 A 90 90 HIS CB C 90 32.786 31.908 0.878 1
1 1021 . 2 1 1 A 90 90 HIS C C 90 177.001 175.217 1.784 1
1 1023 . 2 1 1 A 91 91 ILE N N 91 117.760 122.594 -4.834 1
1 1024 . 2 1 1 A 91 91 ILE H H 91 8.289 8.229 0.060 1
1 1025 . 2 1 1 A 91 91 ILE CA C 91 61.019 60.267 0.752 1
1 1026 . 2 1 1 A 91 91 ILE HA H 91 4.482 4.258 0.224 1
1 1027 . 2 1 1 A 91 91 ILE CB C 91 35.655 37.841 -2.186 1
1 1039 . 2 1 1 A 91 91 ILE C C 91 173.231 175.493 -2.262 1
1 1041 . 2 1 1 A 92 92 PRO CA C 92 65.378 63.285 2.093 1
1 1042 . 2 1 1 A 92 92 PRO HA H 92 4.207 4.455 -0.248 1
1 1043 . 2 1 1 A 92 92 PRO CB C 92 31.301 30.850 0.451 1
1 1049 . 2 1 1 A 92 92 PRO C C 92 177.559 177.266 0.293 1
1 1053 . 2 1 1 A 93 93 GLY N N 93 115.174 113.036 2.138 1
1 1054 . 2 1 1 A 93 93 GLY H H 93 8.291 8.255 0.036 1
1 1055 . 2 1 1 A 93 93 GLY CA C 93 44.729 44.965 -0.236 1
1 1056 . 2 1 1 A 93 93 GLY HA3 H 93 3.122 3.744 -0.622 1
1 1057 . 2 1 1 A 93 93 GLY C C 93 171.695 173.738 -2.043 1
1 1058 . 2 1 1 A 93 93 GLY HA2 H 93 4.116 3.724 0.392 1
1 1059 . 2 1 1 A 94 94 SER N N 94 112.948 117.165 -4.217 1
1 1060 . 2 1 1 A 94 94 SER H H 94 7.612 7.478 0.134 1
1 1061 . 2 1 1 A 94 94 SER CA C 94 54.585 55.305 -0.720 1
1 1062 . 2 1 1 A 94 94 SER HA H 94 4.002 4.667 -0.665 1
1 1063 . 2 1 1 A 94 94 SER CB C 94 62.348 64.726 -2.378 1
1 1065 . 2 1 1 A 94 94 SER C C 94 174.321 172.808 1.513 1
1 1067 . 2 1 1 A 95 95 PRO CA C 95 62.338 62.827 -0.489 1
1 1068 . 2 1 1 A 95 95 PRO HA H 95 5.296 4.786 0.510 1
1 1069 . 2 1 1 A 95 95 PRO CB C 95 33.730 32.744 0.986 1
1 1075 . 2 1 1 A 95 95 PRO C C 95 175.728 176.774 -1.046 1
1 1079 . 2 1 1 A 96 96 PHE N N 96 124.415 121.448 2.967 1
1 1080 . 2 1 1 A 96 96 PHE H H 96 9.643 8.605 1.038 1
1 1081 . 2 1 1 A 96 96 PHE CA C 96 57.405 57.453 -0.048 1
1 1082 . 2 1 1 A 96 96 PHE HA H 96 4.474 4.842 -0.368 1
1 1083 . 2 1 1 A 96 96 PHE CB C 96 40.160 40.101 0.059 1
1 1095 . 2 1 1 A 96 96 PHE C C 96 175.736 175.282 0.454 1
1 1097 . 2 1 1 A 97 97 HIS N N 97 121.364 122.810 -1.446 1
1 1098 . 2 1 1 A 97 97 HIS H H 97 8.898 8.867 0.031 1
1 1099 . 2 1 1 A 97 97 HIS CA C 97 55.214 54.821 0.393 1
1 1100 . 2 1 1 A 97 97 HIS HA H 97 5.124 4.953 0.171 1
1 1101 . 2 1 1 A 97 97 HIS CB C 97 29.981 30.779 -0.798 1
1 1107 . 2 1 1 A 97 97 HIS C C 97 173.895 173.204 0.691 1
1 1109 . 2 1 1 A 98 98 VAL N N 98 127.912 129.247 -1.335 1
1 1110 . 2 1 1 A 98 98 VAL H H 98 8.582 8.753 -0.171 1
1 1111 . 2 1 1 A 98 98 VAL CA C 98 61.467 61.717 -0.250 1
1 1112 . 2 1 1 A 98 98 VAL HA H 98 4.096 4.643 -0.547 1
1 1113 . 2 1 1 A 98 98 VAL CB C 98 35.455 32.706 2.749 1
1 1123 . 2 1 1 A 98 98 VAL C C 98 174.874 175.337 -0.463 1
1 1124 . 2 1 1 A 99 99 THR N N 99 123.090 123.965 -0.875 1
1 1125 . 2 1 1 A 99 99 THR H H 99 8.117 8.895 -0.778 1
1 1126 . 2 1 1 A 99 99 THR CA C 99 62.031 61.755 0.276 1
1 1127 . 2 1 1 A 99 99 THR HA H 99 4.852 4.873 -0.021 1
1 1128 . 2 1 1 A 99 99 THR CB C 99 70.661 69.754 0.907 1
1 1134 . 2 1 1 A 99 99 THR C C 99 173.264 173.869 -0.605 1
1 1135 . 2 1 1 A 100 100 VAL N N 100 129.827 127.064 2.763 1
1 1136 . 2 1 1 A 100 100 VAL H H 100 8.812 8.606 0.206 1
1 1137 . 2 1 1 A 100 100 VAL CA C 100 58.577 58.627 -0.050 1
1 1138 . 2 1 1 A 100 100 VAL HA H 100 5.053 4.605 0.448 1
1 1139 . 2 1 1 A 100 100 VAL CB C 100 33.365 32.843 0.522 1
1 1149 . 2 1 1 A 100 100 VAL C C 100 174.927 174.404 0.523 1
1 1 . 3 1 1 A 6 6 SER CA C 6 58.666 62.021 -3.355 1
1 2 . 3 1 1 A 6 6 SER HA H 6 4.514 4.411 0.103 1
1 3 . 3 1 1 A 6 6 SER CB C 6 63.933 63.562 0.371 1
1 5 . 3 1 1 A 6 6 SER C C 6 175.074 175.281 -0.207 1
1 7 . 3 1 1 A 7 7 GLY N N 7 110.792 106.947 3.845 1
1 8 . 3 1 1 A 7 7 GLY H H 7 8.450 7.841 0.609 1
1 9 . 3 1 1 A 7 7 GLY CA C 7 45.406 44.782 0.624 1
1 10 . 3 1 1 A 7 7 GLY HA3 H 7 4.052 4.199 -0.147 1
1 11 . 3 1 1 A 7 7 GLY C C 7 174.270 171.819 2.451 1
1 12 . 3 1 1 A 7 7 GLY HA2 H 7 4.052 4.198 -0.146 1
1 13 . 3 1 1 A 8 8 SER N N 8 115.558 119.409 -3.851 1
1 14 . 3 1 1 A 8 8 SER H H 8 8.274 8.894 -0.620 1
1 15 . 3 1 1 A 8 8 SER CA C 8 58.332 56.574 1.758 1
1 16 . 3 1 1 A 8 8 SER HA H 8 4.557 5.240 -0.683 1
1 17 . 3 1 1 A 8 8 SER CB C 8 63.930 65.262 -1.332 1
1 19 . 3 1 1 A 8 8 SER C C 8 174.064 173.322 0.742 1
1 21 . 3 1 1 A 9 9 SER N N 9 116.801 122.897 -6.096 1
1 22 . 3 1 1 A 9 9 SER H H 9 8.227 8.859 -0.632 1
1 23 . 3 1 1 A 9 9 SER CA C 9 58.075 57.997 0.078 1
1 24 . 3 1 1 A 9 9 SER HA H 9 5.001 5.389 -0.388 1
1 25 . 3 1 1 A 9 9 SER CB C 9 64.491 63.977 0.514 1
1 27 . 3 1 1 A 9 9 SER C C 9 174.318 173.383 0.935 1
1 29 . 3 1 1 A 10 10 ASP N N 10 122.324 127.084 -4.760 1
1 30 . 3 1 1 A 10 10 ASP H H 10 8.262 9.278 -1.016 1
1 31 . 3 1 1 A 10 10 ASP CA C 10 53.833 53.086 0.747 1
1 32 . 3 1 1 A 10 10 ASP HA H 10 4.892 5.189 -0.297 1
1 33 . 3 1 1 A 10 10 ASP CB C 10 41.497 43.282 -1.785 1
1 35 . 3 1 1 A 10 10 ASP C C 10 176.306 175.849 0.457 1
1 37 . 3 1 1 A 11 11 ALA N N 11 126.255 124.827 1.428 1
1 38 . 3 1 1 A 11 11 ALA H H 11 9.091 8.836 0.255 1
1 39 . 3 1 1 A 11 11 ALA CA C 11 54.713 54.584 0.129 1
1 40 . 3 1 1 A 11 11 ALA HA H 11 4.056 4.313 -0.257 1
1 41 . 3 1 1 A 11 11 ALA CB C 11 20.177 19.331 0.846 1
1 45 . 3 1 1 A 11 11 ALA C C 11 177.950 179.328 -1.378 1
1 46 . 3 1 1 A 12 12 SER N N 12 110.658 114.027 -3.369 1
1 47 . 3 1 1 A 12 12 SER H H 12 8.224 8.075 0.149 1
1 48 . 3 1 1 A 12 12 SER CA C 12 60.857 61.720 -0.863 1
1 49 . 3 1 1 A 12 12 SER HA H 12 4.240 4.251 -0.011 1
1 50 . 3 1 1 A 12 12 SER CB C 12 62.964 63.105 -0.141 1
1 52 . 3 1 1 A 12 12 SER C C 12 175.312 176.049 -0.737 1
1 54 . 3 1 1 A 13 13 LYS N N 13 119.063 118.262 0.801 1
1 55 . 3 1 1 A 13 13 LYS H H 13 7.349 7.838 -0.489 1
1 56 . 3 1 1 A 13 13 LYS CA C 13 54.948 57.840 -2.892 1
1 57 . 3 1 1 A 13 13 LYS HA H 13 4.293 4.350 -0.057 1
1 58 . 3 1 1 A 13 13 LYS CB C 13 33.037 32.939 0.098 1
1 66 . 3 1 1 A 13 13 LYS C C 13 177.263 177.565 -0.302 1
1 71 . 3 1 1 A 14 14 VAL N N 14 124.317 120.012 4.305 1
1 72 . 3 1 1 A 14 14 VAL H H 14 7.500 7.478 0.022 1
1 73 . 3 1 1 A 14 14 VAL CA C 14 63.797 63.102 0.695 1
1 74 . 3 1 1 A 14 14 VAL HA H 14 3.870 3.752 0.118 1
1 75 . 3 1 1 A 14 14 VAL CB C 14 31.996 31.317 0.679 1
1 85 . 3 1 1 A 14 14 VAL C C 14 175.873 175.246 0.627 1
1 86 . 3 1 1 A 15 15 THR N N 15 117.704 118.437 -0.733 1
1 87 . 3 1 1 A 15 15 THR H H 15 8.197 8.529 -0.332 1
1 88 . 3 1 1 A 15 15 THR CA C 15 59.805 59.376 0.429 1
1 89 . 3 1 1 A 15 15 THR HA H 15 4.911 5.230 -0.319 1
1 90 . 3 1 1 A 15 15 THR CB C 15 71.373 71.783 -0.410 1
1 96 . 3 1 1 A 15 15 THR C C 15 172.695 173.839 -1.144 1
1 97 . 3 1 1 A 16 16 SER N N 16 113.256 116.458 -3.202 1
1 98 . 3 1 1 A 16 16 SER H H 16 8.442 9.172 -0.730 1
1 99 . 3 1 1 A 16 16 SER CA C 16 57.155 56.415 0.740 1
1 100 . 3 1 1 A 16 16 SER HA H 16 5.564 5.614 -0.050 1
1 101 . 3 1 1 A 16 16 SER CB C 16 66.124 66.001 0.123 1
1 103 . 3 1 1 A 16 16 SER C C 16 173.455 173.682 -0.227 1
1 105 . 3 1 1 A 17 17 LYS N N 17 117.543 120.740 -3.197 1
1 106 . 3 1 1 A 17 17 LYS H H 17 8.870 9.217 -0.347 1
1 107 . 3 1 1 A 17 17 LYS CA C 17 56.063 54.415 1.648 1
1 108 . 3 1 1 A 17 17 LYS HA H 17 4.673 5.233 -0.560 1
1 109 . 3 1 1 A 17 17 LYS CB C 17 35.602 36.217 -0.615 1
1 117 . 3 1 1 A 17 17 LYS C C 17 174.625 174.935 -0.310 1
1 122 . 3 1 1 A 18 18 GLY N N 18 110.702 107.880 2.822 1
1 123 . 3 1 1 A 18 18 GLY H H 18 8.746 8.444 0.302 1
1 124 . 3 1 1 A 18 18 GLY CA C 18 44.501 44.486 0.015 1
1 125 . 3 1 1 A 18 18 GLY HA3 H 18 3.998 4.267 -0.269 1
1 126 . 3 1 1 A 18 18 GLY C C 18 175.460 174.100 1.360 1
1 127 . 3 1 1 A 18 18 GLY HA2 H 18 4.947 4.236 0.711 1
1 128 . 3 1 1 A 19 19 ALA CA C 19 55.387 54.645 0.742 1
1 129 . 3 1 1 A 19 19 ALA HA H 19 4.229 4.184 0.045 1
1 130 . 3 1 1 A 19 19 ALA CB C 19 18.689 19.244 -0.555 1
1 134 . 3 1 1 A 19 19 ALA C C 19 179.606 179.784 -0.178 1
1 135 . 3 1 1 A 20 20 GLY N N 20 101.587 106.860 -5.273 1
1 136 . 3 1 1 A 20 20 GLY H H 20 8.466 8.440 0.026 1
1 137 . 3 1 1 A 20 20 GLY CA C 20 46.078 47.119 -1.041 1
1 138 . 3 1 1 A 20 20 GLY HA3 H 20 3.596 3.789 -0.193 1
1 139 . 3 1 1 A 20 20 GLY C C 20 173.214 176.122 -2.908 1
1 140 . 3 1 1 A 20 20 GLY HA2 H 20 4.689 3.754 0.935 1
1 141 . 3 1 1 A 21 21 LEU N N 21 115.987 123.114 -7.127 1
1 142 . 3 1 1 A 21 21 LEU H H 21 6.928 7.876 -0.948 1
1 143 . 3 1 1 A 21 21 LEU CA C 21 55.567 57.127 -1.560 1
1 144 . 3 1 1 A 21 21 LEU HA H 21 3.404 3.741 -0.337 1
1 145 . 3 1 1 A 21 21 LEU CB C 21 41.702 40.933 0.769 1
1 157 . 3 1 1 A 21 21 LEU C C 21 175.989 179.539 -3.550 1
1 159 . 3 1 1 A 22 22 SER N N 22 106.483 113.315 -6.832 1
1 160 . 3 1 1 A 22 22 SER H H 22 7.808 8.049 -0.241 1
1 161 . 3 1 1 A 22 22 SER CA C 22 58.956 60.906 -1.950 1
1 162 . 3 1 1 A 22 22 SER HA H 22 4.901 4.458 0.443 1
1 163 . 3 1 1 A 22 22 SER CB C 22 66.238 63.679 2.559 1
1 165 . 3 1 1 A 22 22 SER C C 22 174.051 174.090 -0.039 1
1 167 . 3 1 1 A 23 23 LYS N N 23 124.757 114.954 9.803 1
1 168 . 3 1 1 A 23 23 LYS H H 23 8.399 7.791 0.608 1
1 169 . 3 1 1 A 23 23 LYS CA C 23 55.676 54.821 0.855 1
1 170 . 3 1 1 A 23 23 LYS HA H 23 4.973 4.627 0.346 1
1 171 . 3 1 1 A 23 23 LYS CB C 23 36.338 35.612 0.726 1
1 179 . 3 1 1 A 23 23 LYS C C 23 173.136 173.684 -0.548 1
1 184 . 3 1 1 A 24 24 ALA N N 24 123.565 121.542 2.023 1
1 185 . 3 1 1 A 24 24 ALA H H 24 7.541 8.565 -1.024 1
1 186 . 3 1 1 A 24 24 ALA CA C 24 51.148 50.040 1.108 1
1 187 . 3 1 1 A 24 24 ALA HA H 24 4.256 4.992 -0.736 1
1 188 . 3 1 1 A 24 24 ALA CB C 24 22.019 23.837 -1.818 1
1 192 . 3 1 1 A 24 24 ALA C C 24 173.515 175.359 -1.844 1
1 193 . 3 1 1 A 25 25 PHE N N 25 114.269 116.509 -2.240 1
1 194 . 3 1 1 A 25 25 PHE H H 25 7.858 8.673 -0.815 1
1 195 . 3 1 1 A 25 25 PHE CA C 25 55.809 56.351 -0.542 1
1 196 . 3 1 1 A 25 25 PHE HA H 25 5.191 5.041 0.150 1
1 197 . 3 1 1 A 25 25 PHE CB C 25 41.943 42.485 -0.542 1
1 209 . 3 1 1 A 25 25 PHE C C 25 177.046 175.405 1.641 1
1 211 . 3 1 1 A 26 26 VAL N N 26 123.270 123.346 -0.076 1
1 212 . 3 1 1 A 26 26 VAL H H 26 9.338 8.790 0.548 1
1 213 . 3 1 1 A 26 26 VAL CA C 26 65.054 65.271 -0.217 1
1 214 . 3 1 1 A 26 26 VAL HA H 26 3.441 3.587 -0.146 1
1 215 . 3 1 1 A 26 26 VAL CB C 26 31.757 31.499 0.258 1
1 225 . 3 1 1 A 26 26 VAL C C 26 178.201 177.249 0.952 1
1 226 . 3 1 1 A 27 27 GLY N N 27 112.668 114.941 -2.273 1
1 227 . 3 1 1 A 27 27 GLY H H 27 8.862 8.900 -0.038 1
1 228 . 3 1 1 A 27 27 GLY CA C 27 45.857 45.451 0.406 1
1 229 . 3 1 1 A 27 27 GLY HA3 H 27 4.229 4.037 0.192 1
1 230 . 3 1 1 A 27 27 GLY C C 27 173.411 174.228 -0.817 1
1 231 . 3 1 1 A 27 27 GLY HA2 H 27 3.631 4.034 -0.403 1
1 232 . 3 1 1 A 28 28 GLN N N 28 118.568 120.404 -1.836 1
1 233 . 3 1 1 A 28 28 GLN H H 28 7.755 8.176 -0.421 1
1 234 . 3 1 1 A 28 28 GLN CA C 28 53.825 56.572 -2.747 1
1 235 . 3 1 1 A 28 28 GLN HA H 28 4.690 4.352 0.338 1
1 236 . 3 1 1 A 28 28 GLN CB C 28 30.975 30.283 0.692 1
1 243 . 3 1 1 A 28 28 GLN C C 28 175.517 174.445 1.072 1
1 246 . 3 1 1 A 29 29 LYS N N 29 123.598 122.513 1.085 1
1 247 . 3 1 1 A 29 29 LYS H H 29 8.839 8.469 0.370 1
1 248 . 3 1 1 A 29 29 LYS CA C 29 57.587 54.482 3.105 1
1 249 . 3 1 1 A 29 29 LYS HA H 29 4.158 5.006 -0.848 1
1 250 . 3 1 1 A 29 29 LYS CB C 29 32.381 35.109 -2.728 1
1 258 . 3 1 1 A 29 29 LYS C C 29 176.190 174.609 1.581 1
1 263 . 3 1 1 A 30 30 SER N N 30 124.030 125.120 -1.090 1
1 264 . 3 1 1 A 30 30 SER H H 30 8.694 8.432 0.262 1
1 265 . 3 1 1 A 30 30 SER CA C 30 57.560 58.202 -0.642 1
1 266 . 3 1 1 A 30 30 SER HA H 30 4.758 5.068 -0.310 1
1 267 . 3 1 1 A 30 30 SER CB C 30 64.143 64.327 -0.184 1
1 269 . 3 1 1 A 30 30 SER C C 30 173.413 173.407 0.006 1
1 271 . 3 1 1 A 31 31 SER N N 31 116.828 118.684 -1.856 1
1 272 . 3 1 1 A 31 31 SER H H 31 8.894 8.722 0.172 1
1 273 . 3 1 1 A 31 31 SER CA C 31 57.132 55.891 1.241 1
1 274 . 3 1 1 A 31 31 SER HA H 31 6.181 5.189 0.992 1
1 275 . 3 1 1 A 31 31 SER CB C 31 67.745 66.324 1.421 1
1 277 . 3 1 1 A 31 31 SER C C 31 174.171 173.605 0.566 1
1 279 . 3 1 1 A 32 32 PHE N N 32 117.724 117.678 0.046 1
1 280 . 3 1 1 A 32 32 PHE H H 32 8.853 8.375 0.478 1
1 281 . 3 1 1 A 32 32 PHE CA C 32 57.190 55.692 1.498 1
1 282 . 3 1 1 A 32 32 PHE HA H 32 5.016 5.502 -0.486 1
1 283 . 3 1 1 A 32 32 PHE CB C 32 40.712 42.202 -1.490 1
1 295 . 3 1 1 A 32 32 PHE C C 32 170.765 172.288 -1.523 1
1 297 . 3 1 1 A 33 33 LEU N N 33 121.533 124.288 -2.755 1
1 298 . 3 1 1 A 33 33 LEU H H 33 9.223 9.211 0.012 1
1 299 . 3 1 1 A 33 33 LEU CA C 33 53.636 53.788 -0.152 1
1 300 . 3 1 1 A 33 33 LEU HA H 33 5.531 5.090 0.441 1
1 301 . 3 1 1 A 33 33 LEU CB C 33 46.278 45.060 1.218 1
1 313 . 3 1 1 A 33 33 LEU C C 33 176.559 174.429 2.130 1
1 315 . 3 1 1 A 34 34 VAL N N 34 123.140 126.429 -3.289 1
1 316 . 3 1 1 A 34 34 VAL H H 34 9.257 8.804 0.453 1
1 317 . 3 1 1 A 34 34 VAL CA C 34 61.182 61.359 -0.177 1
1 318 . 3 1 1 A 34 34 VAL HA H 34 4.785 4.900 -0.115 1
1 319 . 3 1 1 A 34 34 VAL CB C 34 34.589 34.090 0.499 1
1 329 . 3 1 1 A 34 34 VAL C C 34 174.370 173.747 0.623 1
1 330 . 3 1 1 A 35 35 ASP N N 35 126.353 127.832 -1.479 1
1 331 . 3 1 1 A 35 35 ASP H H 35 9.312 8.807 0.505 1
1 332 . 3 1 1 A 35 35 ASP CA C 35 53.298 53.566 -0.268 1
1 333 . 3 1 1 A 35 35 ASP HA H 35 5.229 4.884 0.345 1
1 334 . 3 1 1 A 35 35 ASP CB C 35 41.538 41.764 -0.226 1
1 336 . 3 1 1 A 35 35 ASP C C 35 176.980 176.388 0.592 1
1 338 . 3 1 1 A 36 36 CYS N N 36 125.342 123.419 1.923 1
1 339 . 3 1 1 A 36 36 CYS H H 36 9.275 8.371 0.904 1
1 340 . 3 1 1 A 36 36 CYS CA C 36 57.367 57.585 -0.218 1
1 341 . 3 1 1 A 36 36 CYS HA H 36 4.374 4.678 -0.304 1
1 342 . 3 1 1 A 36 36 CYS CB C 36 28.369 27.208 1.161 1
1 344 . 3 1 1 A 36 36 CYS C C 36 177.015 175.692 1.323 1
1 346 . 3 1 1 A 37 37 SER N N 37 119.973 117.186 2.787 1
1 347 . 3 1 1 A 37 37 SER H H 37 9.039 7.990 1.049 1
1 348 . 3 1 1 A 37 37 SER CA C 37 62.787 61.588 1.199 1
1 349 . 3 1 1 A 37 37 SER HA H 37 3.932 4.113 -0.181 1
1 350 . 3 1 1 A 37 37 SER CB C 37 62.982 63.087 -0.105 1
1 352 . 3 1 1 A 37 37 SER C C 37 176.290 175.480 0.810 1
1 354 . 3 1 1 A 38 38 LYS N N 38 120.815 118.348 2.467 1
1 355 . 3 1 1 A 38 38 LYS H H 38 8.676 8.017 0.659 1
1 356 . 3 1 1 A 38 38 LYS CA C 38 55.123 55.945 -0.822 1
1 357 . 3 1 1 A 38 38 LYS HA H 38 4.730 4.456 0.274 1
1 358 . 3 1 1 A 38 38 LYS CB C 38 32.250 32.001 0.249 1
1 366 . 3 1 1 A 38 38 LYS C C 38 176.385 176.443 -0.058 1
1 371 . 3 1 1 A 39 39 ALA N N 39 121.594 121.450 0.144 1
1 372 . 3 1 1 A 39 39 ALA H H 39 7.322 7.839 -0.517 1
1 373 . 3 1 1 A 39 39 ALA CA C 39 52.127 53.365 -1.238 1
1 374 . 3 1 1 A 39 39 ALA HA H 39 4.436 4.344 0.092 1
1 375 . 3 1 1 A 39 39 ALA CB C 39 21.347 20.136 1.211 1
1 379 . 3 1 1 A 39 39 ALA C C 39 177.453 177.424 0.029 1
1 380 . 3 1 1 A 40 40 GLY N N 40 111.873 102.559 9.314 1
1 381 . 3 1 1 A 40 40 GLY H H 40 8.755 7.487 1.268 1
1 382 . 3 1 1 A 40 40 GLY CA C 40 45.619 45.727 -0.108 1
1 383 . 3 1 1 A 40 40 GLY HA3 H 40 4.329 4.342 -0.013 1
1 384 . 3 1 1 A 40 40 GLY C C 40 173.801 173.552 0.249 1
1 385 . 3 1 1 A 40 40 GLY HA2 H 40 3.754 4.206 -0.452 1
1 386 . 3 1 1 A 41 41 SER N N 41 117.149 112.914 4.235 1
1 387 . 3 1 1 A 41 41 SER H H 41 8.524 8.032 0.492 1
1 388 . 3 1 1 A 41 41 SER CA C 41 56.849 57.950 -1.101 1
1 389 . 3 1 1 A 41 41 SER HA H 41 5.010 4.802 0.208 1
1 390 . 3 1 1 A 41 41 SER CB C 41 63.917 63.156 0.761 1
1 392 . 3 1 1 A 41 41 SER C C 41 172.603 174.071 -1.468 1
1 394 . 3 1 1 A 42 42 ASN N N 42 125.590 120.007 5.583 1
1 395 . 3 1 1 A 42 42 ASN H H 42 7.155 7.740 -0.585 1
1 396 . 3 1 1 A 42 42 ASN CA C 42 50.805 51.468 -0.663 1
1 397 . 3 1 1 A 42 42 ASN HA H 42 3.256 4.556 -1.300 1
1 398 . 3 1 1 A 42 42 ASN CB C 42 39.354 39.760 -0.406 1
1 403 . 3 1 1 A 42 42 ASN C C 42 170.908 174.695 -3.787 1
1 405 . 3 1 1 A 43 43 MET N N 43 115.129 119.888 -4.759 1
1 406 . 3 1 1 A 43 43 MET H H 43 8.366 7.982 0.384 1
1 407 . 3 1 1 A 43 43 MET CA C 43 53.424 53.200 0.224 1
1 408 . 3 1 1 A 43 43 MET HA H 43 4.102 5.302 -1.200 1
1 409 . 3 1 1 A 43 43 MET CB C 43 35.572 34.992 0.580 1
1 417 . 3 1 1 A 43 43 MET C C 43 173.140 174.371 -1.231 1
1 420 . 3 1 1 A 44 44 LEU N N 44 128.038 124.889 3.149 1
1 421 . 3 1 1 A 44 44 LEU H H 44 8.300 8.584 -0.284 1
1 422 . 3 1 1 A 44 44 LEU CA C 44 53.806 53.527 0.279 1
1 423 . 3 1 1 A 44 44 LEU HA H 44 5.331 5.163 0.168 1
1 424 . 3 1 1 A 44 44 LEU CB C 44 43.598 44.356 -0.758 1
1 436 . 3 1 1 A 44 44 LEU C C 44 175.236 175.779 -0.543 1
1 438 . 3 1 1 A 45 45 LEU N N 45 126.999 121.853 5.146 1
1 439 . 3 1 1 A 45 45 LEU H H 45 9.109 8.560 0.549 1
1 440 . 3 1 1 A 45 45 LEU CA C 45 54.800 53.078 1.722 1
1 441 . 3 1 1 A 45 45 LEU HA H 45 5.135 5.158 -0.023 1
1 442 . 3 1 1 A 45 45 LEU CB C 45 45.499 46.022 -0.523 1
1 454 . 3 1 1 A 45 45 LEU C C 45 175.167 175.194 -0.027 1
1 456 . 3 1 1 A 46 46 ILE N N 46 118.172 119.852 -1.680 1
1 457 . 3 1 1 A 46 46 ILE H H 46 7.966 8.715 -0.749 1
1 458 . 3 1 1 A 46 46 ILE CA C 46 58.091 59.642 -1.551 1
1 459 . 3 1 1 A 46 46 ILE HA H 46 5.412 5.031 0.381 1
1 460 . 3 1 1 A 46 46 ILE CB C 46 41.988 42.059 -0.071 1
1 472 . 3 1 1 A 46 46 ILE C C 46 174.748 175.621 -0.873 1
1 474 . 3 1 1 A 47 47 GLY N N 47 110.148 115.781 -5.633 1
1 475 . 3 1 1 A 47 47 GLY H H 47 8.554 8.930 -0.376 1
1 476 . 3 1 1 A 47 47 GLY CA C 47 46.136 46.114 0.022 1
1 477 . 3 1 1 A 47 47 GLY HA3 H 47 4.604 4.264 0.340 1
1 478 . 3 1 1 A 47 47 GLY C C 47 171.583 173.524 -1.941 1
1 479 . 3 1 1 A 47 47 GLY HA2 H 47 3.933 4.258 -0.325 1
1 480 . 3 1 1 A 48 48 VAL N N 48 120.434 118.056 2.378 1
1 481 . 3 1 1 A 48 48 VAL H H 48 9.048 7.595 1.453 1
1 482 . 3 1 1 A 48 48 VAL CA C 48 61.060 62.310 -1.250 1
1 483 . 3 1 1 A 48 48 VAL HA H 48 5.143 4.060 1.083 1
1 484 . 3 1 1 A 48 48 VAL CB C 48 34.976 32.034 2.942 1
1 494 . 3 1 1 A 48 48 VAL C C 48 175.260 175.404 -0.144 1
1 495 . 3 1 1 A 49 49 HIS N N 49 127.718 127.071 0.647 1
1 496 . 3 1 1 A 49 49 HIS H H 49 9.556 8.365 1.191 1
1 497 . 3 1 1 A 49 49 HIS CA C 49 55.342 54.892 0.450 1
1 498 . 3 1 1 A 49 49 HIS HA H 49 4.987 4.926 0.061 1
1 499 . 3 1 1 A 49 49 HIS CB C 49 34.476 31.599 2.877 1
1 505 . 3 1 1 A 49 49 HIS C C 49 173.822 174.457 -0.635 1
1 507 . 3 1 1 A 50 50 GLY N N 50 115.577 113.174 2.403 1
1 508 . 3 1 1 A 50 50 GLY H H 50 8.192 8.831 -0.639 1
1 509 . 3 1 1 A 50 50 GLY CA C 50 44.693 46.936 -2.243 1
1 510 . 3 1 1 A 50 50 GLY HA3 H 50 3.247 4.320 -1.073 1
1 511 . 3 1 1 A 50 50 GLY C C 50 171.437 174.191 -2.754 1
1 512 . 3 1 1 A 50 50 GLY HA2 H 50 3.722 4.270 -0.548 1
1 513 . 3 1 1 A 51 51 PRO CA C 51 64.376 64.640 -0.264 1
1 514 . 3 1 1 A 51 51 PRO HA H 51 4.104 4.490 -0.386 1
1 515 . 3 1 1 A 51 51 PRO CB C 51 32.141 31.950 0.191 1
1 521 . 3 1 1 A 51 51 PRO C C 51 177.607 177.980 -0.373 1
1 525 . 3 1 1 A 52 52 THR N N 52 109.088 109.893 -0.805 1
1 526 . 3 1 1 A 52 52 THR H H 52 8.447 8.302 0.145 1
1 527 . 3 1 1 A 52 52 THR CA C 52 62.861 63.603 -0.742 1
1 528 . 3 1 1 A 52 52 THR HA H 52 4.424 4.610 -0.186 1
1 529 . 3 1 1 A 52 52 THR CB C 52 70.329 71.591 -1.262 1
1 535 . 3 1 1 A 52 52 THR C C 52 174.926 173.110 1.816 1
1 536 . 3 1 1 A 53 53 THR N N 53 118.915 112.480 6.435 1
1 537 . 3 1 1 A 53 53 THR H H 53 7.983 7.843 0.140 1
1 538 . 3 1 1 A 53 53 THR CA C 53 59.878 59.194 0.684 1
1 539 . 3 1 1 A 53 53 THR HA H 53 4.751 4.852 -0.101 1
1 540 . 3 1 1 A 53 53 THR CB C 53 71.034 72.210 -1.176 1
1 546 . 3 1 1 A 53 53 THR C C 53 172.019 172.009 0.010 1
1 547 . 3 1 1 A 54 54 PRO CA C 54 62.614 62.297 0.317 1
1 548 . 3 1 1 A 54 54 PRO HA H 54 4.629 4.651 -0.022 1
1 549 . 3 1 1 A 54 54 PRO CB C 54 32.845 32.501 0.344 1
1 555 . 3 1 1 A 54 54 PRO C C 54 177.751 176.567 1.184 1
1 559 . 3 1 1 A 55 55 CYS N N 55 121.538 119.727 1.811 1
1 560 . 3 1 1 A 55 55 CYS H H 55 8.938 8.294 0.644 1
1 561 . 3 1 1 A 55 55 CYS CA C 55 60.342 57.554 2.788 1
1 562 . 3 1 1 A 55 55 CYS HA H 55 4.563 4.652 -0.089 1
1 563 . 3 1 1 A 55 55 CYS CB C 55 27.534 29.722 -2.188 1
1 565 . 3 1 1 A 55 55 CYS C C 55 174.437 175.865 -1.428 1
1 567 . 3 1 1 A 56 56 GLU N N 56 124.530 123.322 1.208 1
1 568 . 3 1 1 A 56 56 GLU H H 56 8.450 8.923 -0.473 1
1 569 . 3 1 1 A 56 56 GLU CA C 56 59.363 59.238 0.125 1
1 570 . 3 1 1 A 56 56 GLU HA H 56 4.471 4.221 0.250 1
1 571 . 3 1 1 A 56 56 GLU CB C 56 31.217 30.551 0.666 1
1 575 . 3 1 1 A 56 56 GLU C C 56 176.847 176.619 0.228 1
1 578 . 3 1 1 A 57 57 GLU N N 57 114.661 113.906 0.755 1
1 579 . 3 1 1 A 57 57 GLU H H 57 7.478 7.726 -0.248 1
1 580 . 3 1 1 A 57 57 GLU CA C 57 55.551 55.468 0.083 1
1 581 . 3 1 1 A 57 57 GLU HA H 57 5.414 4.678 0.736 1
1 582 . 3 1 1 A 57 57 GLU CB C 57 34.084 31.600 2.484 1
1 586 . 3 1 1 A 57 57 GLU C C 57 174.400 173.839 0.561 1
1 589 . 3 1 1 A 58 58 VAL N N 58 123.611 120.159 3.452 1
1 590 . 3 1 1 A 58 58 VAL H H 58 8.605 8.389 0.216 1
1 591 . 3 1 1 A 58 58 VAL CA C 58 62.048 61.532 0.516 1
1 592 . 3 1 1 A 58 58 VAL HA H 58 4.941 4.747 0.194 1
1 593 . 3 1 1 A 58 58 VAL CB C 58 35.700 34.593 1.107 1
1 603 . 3 1 1 A 58 58 VAL C C 58 174.426 174.276 0.150 1
1 604 . 3 1 1 A 59 59 SER N N 59 121.592 123.578 -1.986 1
1 605 . 3 1 1 A 59 59 SER H H 59 9.635 9.114 0.521 1
1 606 . 3 1 1 A 59 59 SER CA C 59 57.012 56.756 0.256 1
1 607 . 3 1 1 A 59 59 SER HA H 59 5.526 4.911 0.615 1
1 608 . 3 1 1 A 59 59 SER CB C 59 65.896 64.142 1.754 1
1 610 . 3 1 1 A 59 59 SER C C 59 172.465 173.393 -0.928 1
1 612 . 3 1 1 A 60 60 MET N N 60 122.508 127.179 -4.671 1
1 613 . 3 1 1 A 60 60 MET H H 60 9.435 9.114 0.321 1
1 614 . 3 1 1 A 60 60 MET CA C 60 54.541 53.778 0.763 1
1 615 . 3 1 1 A 60 60 MET HA H 60 5.352 5.704 -0.352 1
1 616 . 3 1 1 A 60 60 MET CB C 60 37.420 34.385 3.035 1
1 624 . 3 1 1 A 60 60 MET C C 60 174.616 175.576 -0.960 1
1 627 . 3 1 1 A 61 61 LYS N N 61 125.580 123.507 2.073 1
1 628 . 3 1 1 A 61 61 LYS H H 61 8.963 8.909 0.054 1
1 629 . 3 1 1 A 61 61 LYS CA C 61 54.688 54.961 -0.273 1
1 630 . 3 1 1 A 61 61 LYS HA H 61 5.396 4.919 0.477 1
1 631 . 3 1 1 A 61 61 LYS CB C 61 36.412 36.916 -0.504 1
1 639 . 3 1 1 A 61 61 LYS C C 61 175.548 174.867 0.681 1
1 644 . 3 1 1 A 62 62 HIS N N 62 125.822 123.237 2.585 1
1 645 . 3 1 1 A 62 62 HIS H H 62 8.967 8.936 0.031 1
1 646 . 3 1 1 A 62 62 HIS CA C 62 55.674 53.946 1.728 1
1 647 . 3 1 1 A 62 62 HIS HA H 62 4.621 4.836 -0.215 1
1 648 . 3 1 1 A 62 62 HIS CB C 62 29.732 29.593 0.139 1
1 654 . 3 1 1 A 62 62 HIS C C 62 175.912 175.005 0.907 1
1 656 . 3 1 1 A 63 63 VAL N N 63 124.131 123.742 0.389 1
1 657 . 3 1 1 A 63 63 VAL H H 63 8.633 8.166 0.467 1
1 658 . 3 1 1 A 63 63 VAL CA C 63 61.288 64.335 -3.047 1
1 659 . 3 1 1 A 63 63 VAL HA H 63 4.299 3.679 0.620 1
1 660 . 3 1 1 A 63 63 VAL CB C 63 30.964 32.382 -1.418 1
1 670 . 3 1 1 A 63 63 VAL C C 63 175.339 175.480 -0.141 1
1 671 . 3 1 1 A 64 64 GLY N N 64 108.087 109.459 -1.372 1
1 672 . 3 1 1 A 64 64 GLY H H 64 5.406 6.773 -1.367 1
1 673 . 3 1 1 A 64 64 GLY CA C 64 44.979 43.452 1.527 1
1 674 . 3 1 1 A 64 64 GLY HA3 H 64 3.118 3.760 -0.642 1
1 675 . 3 1 1 A 64 64 GLY C C 64 174.125 173.602 0.523 1
1 676 . 3 1 1 A 64 64 GLY HA2 H 64 4.287 3.171 1.116 1
1 677 . 3 1 1 A 65 65 ASN N N 65 118.292 119.844 -1.552 1
1 678 . 3 1 1 A 65 65 ASN H H 65 9.260 9.266 -0.006 1
1 679 . 3 1 1 A 65 65 ASN CA C 65 54.643 54.128 0.515 1
1 680 . 3 1 1 A 65 65 ASN HA H 65 4.401 4.402 -0.001 1
1 681 . 3 1 1 A 65 65 ASN CB C 65 37.695 37.399 0.296 1
1 686 . 3 1 1 A 65 65 ASN C C 65 174.079 174.213 -0.134 1
1 688 . 3 1 1 A 66 66 GLN N N 66 111.325 110.671 0.654 1
1 689 . 3 1 1 A 66 66 GLN H H 66 10.512 8.627 1.885 1
1 690 . 3 1 1 A 66 66 GLN CA C 66 57.009 57.397 -0.388 1
1 691 . 3 1 1 A 66 66 GLN HA H 66 3.713 3.852 -0.139 1
1 692 . 3 1 1 A 66 66 GLN CB C 66 24.986 26.552 -1.566 1
1 699 . 3 1 1 A 66 66 GLN C C 66 173.896 174.256 -0.360 1
1 702 . 3 1 1 A 67 67 GLN N N 67 115.692 117.710 -2.018 1
1 703 . 3 1 1 A 67 67 GLN H H 67 7.492 7.540 -0.048 1
1 704 . 3 1 1 A 67 67 GLN CA C 67 54.496 54.747 -0.251 1
1 705 . 3 1 1 A 67 67 GLN HA H 67 5.400 4.789 0.611 1
1 706 . 3 1 1 A 67 67 GLN CB C 67 29.896 30.874 -0.978 1
1 713 . 3 1 1 A 67 67 GLN C C 67 175.043 174.070 0.973 1
1 716 . 3 1 1 A 68 68 TYR N N 68 121.249 123.082 -1.833 1
1 717 . 3 1 1 A 68 68 TYR H H 68 9.573 8.899 0.674 1
1 718 . 3 1 1 A 68 68 TYR CA C 68 56.443 56.978 -0.535 1
1 719 . 3 1 1 A 68 68 TYR HA H 68 5.417 5.336 0.081 1
1 720 . 3 1 1 A 68 68 TYR CB C 68 41.249 40.029 1.220 1
1 730 . 3 1 1 A 68 68 TYR C C 68 174.846 174.809 0.037 1
1 732 . 3 1 1 A 69 69 ASN N N 69 122.429 124.036 -1.607 1
1 733 . 3 1 1 A 69 69 ASN H H 69 9.354 9.416 -0.062 1
1 734 . 3 1 1 A 69 69 ASN CA C 69 52.454 52.750 -0.296 1
1 735 . 3 1 1 A 69 69 ASN HA H 69 5.260 4.823 0.437 1
1 736 . 3 1 1 A 69 69 ASN CB C 69 40.922 39.514 1.408 1
1 741 . 3 1 1 A 69 69 ASN C C 69 174.835 174.118 0.717 1
1 743 . 3 1 1 A 70 70 VAL N N 70 131.599 126.185 5.414 1
1 744 . 3 1 1 A 70 70 VAL H H 70 9.157 8.199 0.958 1
1 745 . 3 1 1 A 70 70 VAL CA C 70 60.900 60.809 0.091 1
1 746 . 3 1 1 A 70 70 VAL HA H 70 4.910 4.991 -0.081 1
1 747 . 3 1 1 A 70 70 VAL CB C 70 31.882 33.578 -1.696 1
1 757 . 3 1 1 A 70 70 VAL C C 70 174.368 174.410 -0.042 1
1 758 . 3 1 1 A 71 71 THR N N 71 119.213 122.378 -3.165 1
1 759 . 3 1 1 A 71 71 THR H H 71 8.996 8.738 0.258 1
1 760 . 3 1 1 A 71 71 THR CA C 71 59.796 61.053 -1.257 1
1 761 . 3 1 1 A 71 71 THR HA H 71 5.614 4.979 0.635 1
1 762 . 3 1 1 A 71 71 THR CB C 71 72.339 71.316 1.023 1
1 768 . 3 1 1 A 71 71 THR C C 71 173.260 173.244 0.016 1
1 769 . 3 1 1 A 72 72 TYR N N 72 121.105 121.449 -0.344 1
1 770 . 3 1 1 A 72 72 TYR H H 72 9.200 8.383 0.817 1
1 771 . 3 1 1 A 72 72 TYR CA C 72 56.112 55.451 0.661 1
1 772 . 3 1 1 A 72 72 TYR HA H 72 5.600 5.583 0.017 1
1 773 . 3 1 1 A 72 72 TYR CB C 72 41.878 42.000 -0.122 1
1 783 . 3 1 1 A 72 72 TYR C C 72 173.176 173.159 0.017 1
1 785 . 3 1 1 A 73 73 VAL N N 73 118.799 119.670 -0.871 1
1 786 . 3 1 1 A 73 73 VAL H H 73 8.214 8.675 -0.461 1
1 787 . 3 1 1 A 73 73 VAL CA C 73 61.111 61.088 0.023 1
1 788 . 3 1 1 A 73 73 VAL HA H 73 4.514 4.883 -0.369 1
1 789 . 3 1 1 A 73 73 VAL CB C 73 35.729 35.741 -0.012 1
1 799 . 3 1 1 A 73 73 VAL C C 73 175.529 175.268 0.261 1
1 800 . 3 1 1 A 74 74 VAL N N 74 121.061 122.042 -0.981 1
1 801 . 3 1 1 A 74 74 VAL H H 74 8.947 8.951 -0.004 1
1 802 . 3 1 1 A 74 74 VAL CA C 74 59.858 59.059 0.799 1
1 803 . 3 1 1 A 74 74 VAL HA H 74 4.785 4.869 -0.084 1
1 804 . 3 1 1 A 74 74 VAL CB C 74 32.795 34.021 -1.226 1
1 814 . 3 1 1 A 74 74 VAL C C 74 176.022 175.404 0.618 1
1 815 . 3 1 1 A 75 75 LYS N N 75 120.273 124.269 -3.996 1
1 816 . 3 1 1 A 75 75 LYS H H 75 9.404 9.173 0.231 1
1 817 . 3 1 1 A 75 75 LYS CA C 75 55.705 57.020 -1.315 1
1 818 . 3 1 1 A 75 75 LYS HA H 75 4.653 4.503 0.150 1
1 819 . 3 1 1 A 75 75 LYS CB C 75 34.767 34.675 0.092 1
1 827 . 3 1 1 A 75 75 LYS C C 75 175.025 175.765 -0.740 1
1 832 . 3 1 1 A 76 76 GLU N N 76 117.540 118.935 -1.395 1
1 833 . 3 1 1 A 76 76 GLU H H 76 7.224 7.781 -0.557 1
1 834 . 3 1 1 A 76 76 GLU CA C 76 54.893 55.159 -0.266 1
1 835 . 3 1 1 A 76 76 GLU HA H 76 4.747 4.964 -0.217 1
1 836 . 3 1 1 A 76 76 GLU CB C 76 33.199 33.330 -0.131 1
1 840 . 3 1 1 A 76 76 GLU C C 76 175.664 175.241 0.423 1
1 843 . 3 1 1 A 77 77 ARG N N 77 125.564 122.482 3.082 1
1 844 . 3 1 1 A 77 77 ARG H H 77 8.906 8.673 0.233 1
1 845 . 3 1 1 A 77 77 ARG CA C 77 56.610 54.748 1.862 1
1 846 . 3 1 1 A 77 77 ARG HA H 77 4.234 5.168 -0.934 1
1 847 . 3 1 1 A 77 77 ARG CB C 77 31.036 33.522 -2.486 1
1 855 . 3 1 1 A 77 77 ARG C C 77 174.779 175.158 -0.379 1
1 859 . 3 1 1 A 78 78 GLY N N 78 108.773 106.495 2.278 1
1 860 . 3 1 1 A 78 78 GLY H H 78 8.928 8.461 0.467 1
1 861 . 3 1 1 A 78 78 GLY CA C 78 44.418 45.370 -0.952 1
1 862 . 3 1 1 A 78 78 GLY HA3 H 78 3.770 4.241 -0.471 1
1 863 . 3 1 1 A 78 78 GLY C C 78 171.452 171.722 -0.270 1
1 864 . 3 1 1 A 78 78 GLY HA2 H 78 4.467 4.171 0.296 1
1 865 . 3 1 1 A 79 79 ASP N N 79 120.109 122.409 -2.300 1
1 866 . 3 1 1 A 79 79 ASP H H 79 8.070 8.304 -0.234 1
1 867 . 3 1 1 A 79 79 ASP CA C 79 54.204 53.782 0.422 1
1 868 . 3 1 1 A 79 79 ASP HA H 79 5.344 5.194 0.150 1
1 869 . 3 1 1 A 79 79 ASP CB C 79 42.148 41.765 0.383 1
1 871 . 3 1 1 A 79 79 ASP C C 79 175.474 175.089 0.385 1
1 873 . 3 1 1 A 80 80 TYR N N 80 121.969 122.985 -1.016 1
1 874 . 3 1 1 A 80 80 TYR H H 80 9.412 9.096 0.316 1
1 875 . 3 1 1 A 80 80 TYR CA C 80 56.872 56.322 0.550 1
1 876 . 3 1 1 A 80 80 TYR HA H 80 4.821 5.328 -0.507 1
1 877 . 3 1 1 A 80 80 TYR CB C 80 41.557 42.199 -0.642 1
1 887 . 3 1 1 A 80 80 TYR C C 80 175.552 175.190 0.362 1
1 889 . 3 1 1 A 81 81 VAL N N 81 121.669 120.314 1.355 1
1 890 . 3 1 1 A 81 81 VAL H H 81 8.688 8.902 -0.214 1
1 891 . 3 1 1 A 81 81 VAL CA C 81 61.217 61.456 -0.239 1
1 892 . 3 1 1 A 81 81 VAL HA H 81 4.606 4.910 -0.304 1
1 893 . 3 1 1 A 81 81 VAL CB C 81 33.990 34.280 -0.290 1
1 903 . 3 1 1 A 81 81 VAL C C 81 173.568 174.560 -0.992 1
1 904 . 3 1 1 A 82 82 LEU N N 82 129.806 130.626 -0.820 1
1 905 . 3 1 1 A 82 82 LEU H H 82 8.873 8.997 -0.124 1
1 906 . 3 1 1 A 82 82 LEU CA C 82 53.321 54.172 -0.851 1
1 907 . 3 1 1 A 82 82 LEU HA H 82 5.150 4.773 0.377 1
1 908 . 3 1 1 A 82 82 LEU CB C 82 44.594 43.092 1.502 1
1 920 . 3 1 1 A 82 82 LEU C C 82 174.427 174.670 -0.243 1
1 922 . 3 1 1 A 83 83 ALA N N 83 128.482 130.280 -1.798 1
1 923 . 3 1 1 A 83 83 ALA H H 83 9.294 9.019 0.275 1
1 924 . 3 1 1 A 83 83 ALA CA C 83 50.133 50.578 -0.445 1
1 925 . 3 1 1 A 83 83 ALA HA H 83 5.081 5.088 -0.007 1
1 926 . 3 1 1 A 83 83 ALA CB C 83 21.500 20.630 0.870 1
1 930 . 3 1 1 A 83 83 ALA C C 83 174.991 176.105 -1.114 1
1 931 . 3 1 1 A 84 84 VAL N N 84 121.691 123.747 -2.056 1
1 932 . 3 1 1 A 84 84 VAL H H 84 9.222 8.953 0.269 1
1 933 . 3 1 1 A 84 84 VAL CA C 84 61.324 61.256 0.068 1
1 934 . 3 1 1 A 84 84 VAL HA H 84 4.785 4.784 0.001 1
1 935 . 3 1 1 A 84 84 VAL CB C 84 34.116 34.127 -0.011 1
1 945 . 3 1 1 A 84 84 VAL C C 84 174.156 174.733 -0.577 1
1 946 . 3 1 1 A 85 85 LYS N N 85 124.020 125.828 -1.808 1
1 947 . 3 1 1 A 85 85 LYS H H 85 9.193 8.526 0.667 1
1 948 . 3 1 1 A 85 85 LYS CA C 85 54.222 54.086 0.136 1
1 949 . 3 1 1 A 85 85 LYS HA H 85 4.958 5.275 -0.317 1
1 950 . 3 1 1 A 85 85 LYS CB C 85 34.814 35.608 -0.794 1
1 958 . 3 1 1 A 85 85 LYS C C 85 173.704 175.053 -1.349 1
1 963 . 3 1 1 A 86 86 TRP N N 86 123.429 124.521 -1.092 1
1 964 . 3 1 1 A 86 86 TRP H H 86 8.623 9.097 -0.474 1
1 965 . 3 1 1 A 86 86 TRP CA C 86 53.803 56.703 -2.900 1
1 966 . 3 1 1 A 86 86 TRP HA H 86 5.583 4.916 0.667 1
1 967 . 3 1 1 A 86 86 TRP CB C 86 32.084 31.554 0.530 1
1 981 . 3 1 1 A 86 86 TRP C C 86 176.916 175.844 1.072 1
1 983 . 3 1 1 A 87 87 GLY N N 87 116.722 114.663 2.059 1
1 984 . 3 1 1 A 87 87 GLY H H 87 8.782 8.685 0.097 1
1 985 . 3 1 1 A 87 87 GLY CA C 87 46.432 46.577 -0.145 1
1 986 . 3 1 1 A 87 87 GLY HA3 H 87 3.152 3.582 -0.430 1
1 987 . 3 1 1 A 87 87 GLY C C 87 173.838 174.063 -0.225 1
1 988 . 3 1 1 A 87 87 GLY HA2 H 87 3.732 3.345 0.387 1
1 989 . 3 1 1 A 88 88 GLU N N 88 122.405 110.549 11.856 1
1 990 . 3 1 1 A 88 88 GLU H H 88 8.592 8.415 0.177 1
1 991 . 3 1 1 A 88 88 GLU CA C 88 56.004 57.627 -1.623 1
1 992 . 3 1 1 A 88 88 GLU HA H 88 4.057 3.836 0.221 1
1 993 . 3 1 1 A 88 88 GLU CB C 88 29.764 27.449 2.315 1
1 997 . 3 1 1 A 88 88 GLU C C 88 176.465 174.862 1.603 1
1 1000 . 3 1 1 A 89 89 GLU N N 89 117.358 117.352 0.006 1
1 1001 . 3 1 1 A 89 89 GLU H H 89 7.226 7.551 -0.325 1
1 1002 . 3 1 1 A 89 89 GLU CA C 89 54.921 54.810 0.111 1
1 1003 . 3 1 1 A 89 89 GLU HA H 89 4.580 5.141 -0.561 1
1 1004 . 3 1 1 A 89 89 GLU CB C 89 33.160 34.230 -1.070 1
1 1008 . 3 1 1 A 89 89 GLU C C 89 175.674 174.971 0.703 1
1 1011 . 3 1 1 A 90 90 HIS N N 90 122.210 116.347 5.863 1
1 1012 . 3 1 1 A 90 90 HIS H H 90 8.603 8.817 -0.214 1
1 1013 . 3 1 1 A 90 90 HIS CA C 90 58.321 54.457 3.864 1
1 1014 . 3 1 1 A 90 90 HIS HA H 90 4.343 5.155 -0.812 1
1 1015 . 3 1 1 A 90 90 HIS CB C 90 32.786 32.111 0.675 1
1 1021 . 3 1 1 A 90 90 HIS C C 90 177.001 175.319 1.682 1
1 1023 . 3 1 1 A 91 91 ILE N N 91 117.760 122.285 -4.525 1
1 1024 . 3 1 1 A 91 91 ILE H H 91 8.289 8.086 0.203 1
1 1025 . 3 1 1 A 91 91 ILE CA C 91 61.019 60.254 0.765 1
1 1026 . 3 1 1 A 91 91 ILE HA H 91 4.482 4.273 0.209 1
1 1027 . 3 1 1 A 91 91 ILE CB C 91 35.655 37.794 -2.139 1
1 1039 . 3 1 1 A 91 91 ILE C C 91 173.231 175.494 -2.263 1
1 1041 . 3 1 1 A 92 92 PRO CA C 92 65.378 63.219 2.159 1
1 1042 . 3 1 1 A 92 92 PRO HA H 92 4.207 4.456 -0.249 1
1 1043 . 3 1 1 A 92 92 PRO CB C 92 31.301 30.956 0.345 1
1 1049 . 3 1 1 A 92 92 PRO C C 92 177.559 177.265 0.294 1
1 1053 . 3 1 1 A 93 93 GLY N N 93 115.174 113.024 2.150 1
1 1054 . 3 1 1 A 93 93 GLY H H 93 8.291 8.166 0.125 1
1 1055 . 3 1 1 A 93 93 GLY CA C 93 44.729 44.939 -0.210 1
1 1056 . 3 1 1 A 93 93 GLY HA3 H 93 3.122 3.770 -0.648 1
1 1057 . 3 1 1 A 93 93 GLY C C 93 171.695 173.759 -2.064 1
1 1058 . 3 1 1 A 93 93 GLY HA2 H 93 4.116 3.696 0.420 1
1 1059 . 3 1 1 A 94 94 SER N N 94 112.948 117.237 -4.289 1
1 1060 . 3 1 1 A 94 94 SER H H 94 7.612 7.476 0.136 1
1 1061 . 3 1 1 A 94 94 SER CA C 94 54.585 55.073 -0.488 1
1 1062 . 3 1 1 A 94 94 SER HA H 94 4.002 4.838 -0.836 1
1 1063 . 3 1 1 A 94 94 SER CB C 94 62.348 64.874 -2.526 1
1 1065 . 3 1 1 A 94 94 SER C C 94 174.321 172.433 1.888 1
1 1067 . 3 1 1 A 95 95 PRO CA C 95 62.338 62.906 -0.568 1
1 1068 . 3 1 1 A 95 95 PRO HA H 95 5.296 4.784 0.512 1
1 1069 . 3 1 1 A 95 95 PRO CB C 95 33.730 32.600 1.130 1
1 1075 . 3 1 1 A 95 95 PRO C C 95 175.728 177.012 -1.284 1
1 1079 . 3 1 1 A 96 96 PHE N N 96 124.415 121.279 3.136 1
1 1080 . 3 1 1 A 96 96 PHE H H 96 9.643 8.409 1.234 1
1 1081 . 3 1 1 A 96 96 PHE CA C 96 57.405 57.832 -0.427 1
1 1082 . 3 1 1 A 96 96 PHE HA H 96 4.474 4.862 -0.388 1
1 1083 . 3 1 1 A 96 96 PHE CB C 96 40.160 39.987 0.173 1
1 1095 . 3 1 1 A 96 96 PHE C C 96 175.736 175.473 0.263 1
1 1097 . 3 1 1 A 97 97 HIS N N 97 121.364 121.413 -0.049 1
1 1098 . 3 1 1 A 97 97 HIS H H 97 8.898 8.892 0.006 1
1 1099 . 3 1 1 A 97 97 HIS CA C 97 55.214 54.209 1.005 1
1 1100 . 3 1 1 A 97 97 HIS HA H 97 5.124 5.272 -0.148 1
1 1101 . 3 1 1 A 97 97 HIS CB C 97 29.981 31.526 -1.545 1
1 1107 . 3 1 1 A 97 97 HIS C C 97 173.895 173.406 0.489 1
1 1109 . 3 1 1 A 98 98 VAL N N 98 127.912 129.041 -1.129 1
1 1110 . 3 1 1 A 98 98 VAL H H 98 8.582 8.774 -0.192 1
1 1111 . 3 1 1 A 98 98 VAL CA C 98 61.467 61.374 0.093 1
1 1112 . 3 1 1 A 98 98 VAL HA H 98 4.096 4.680 -0.584 1
1 1113 . 3 1 1 A 98 98 VAL CB C 98 35.455 33.121 2.334 1
1 1123 . 3 1 1 A 98 98 VAL C C 98 174.874 174.942 -0.068 1
1 1124 . 3 1 1 A 99 99 THR N N 99 123.090 123.800 -0.710 1
1 1125 . 3 1 1 A 99 99 THR H H 99 8.117 8.753 -0.636 1
1 1126 . 3 1 1 A 99 99 THR CA C 99 62.031 61.787 0.244 1
1 1127 . 3 1 1 A 99 99 THR HA H 99 4.852 4.893 -0.041 1
1 1128 . 3 1 1 A 99 99 THR CB C 99 70.661 70.345 0.316 1
1 1134 . 3 1 1 A 99 99 THR C C 99 173.264 173.928 -0.664 1
1 1135 . 3 1 1 A 100 100 VAL N N 100 129.827 126.734 3.093 1
1 1136 . 3 1 1 A 100 100 VAL H H 100 8.812 8.673 0.139 1
1 1137 . 3 1 1 A 100 100 VAL CA C 100 58.577 58.719 -0.142 1
1 1138 . 3 1 1 A 100 100 VAL HA H 100 5.053 4.781 0.272 1
1 1139 . 3 1 1 A 100 100 VAL CB C 100 33.365 33.351 0.014 1
1 1149 . 3 1 1 A 100 100 VAL C C 100 174.927 174.458 0.469 1
1 1 . 4 1 1 A 6 6 SER CA C 6 58.666 57.901 0.765 1
1 2 . 4 1 1 A 6 6 SER HA H 6 4.514 4.906 -0.392 1
1 3 . 4 1 1 A 6 6 SER CB C 6 63.933 65.573 -1.640 1
1 5 . 4 1 1 A 6 6 SER C C 6 175.074 172.890 2.184 1
1 7 . 4 1 1 A 7 7 GLY N N 7 110.792 113.722 -2.930 1
1 8 . 4 1 1 A 7 7 GLY H H 7 8.450 8.897 -0.447 1
1 9 . 4 1 1 A 7 7 GLY CA C 7 45.406 44.577 0.829 1
1 10 . 4 1 1 A 7 7 GLY HA3 H 7 4.052 4.367 -0.315 1
1 11 . 4 1 1 A 7 7 GLY C C 7 174.270 172.168 2.102 1
1 12 . 4 1 1 A 7 7 GLY HA2 H 7 4.052 4.358 -0.306 1
1 13 . 4 1 1 A 8 8 SER N N 8 115.558 117.873 -2.315 1
1 14 . 4 1 1 A 8 8 SER H H 8 8.274 8.768 -0.494 1
1 15 . 4 1 1 A 8 8 SER CA C 8 58.332 57.282 1.050 1
1 16 . 4 1 1 A 8 8 SER HA H 8 4.557 5.087 -0.530 1
1 17 . 4 1 1 A 8 8 SER CB C 8 63.930 65.089 -1.159 1
1 19 . 4 1 1 A 8 8 SER C C 8 174.064 172.839 1.225 1
1 21 . 4 1 1 A 9 9 SER N N 9 116.801 122.574 -5.773 1
1 22 . 4 1 1 A 9 9 SER H H 9 8.227 8.953 -0.726 1
1 23 . 4 1 1 A 9 9 SER CA C 9 58.075 57.764 0.311 1
1 24 . 4 1 1 A 9 9 SER HA H 9 5.001 5.366 -0.365 1
1 25 . 4 1 1 A 9 9 SER CB C 9 64.491 66.001 -1.510 1
1 27 . 4 1 1 A 9 9 SER C C 9 174.318 173.004 1.314 1
1 29 . 4 1 1 A 10 10 ASP N N 10 122.324 125.685 -3.361 1
1 30 . 4 1 1 A 10 10 ASP H H 10 8.262 9.499 -1.237 1
1 31 . 4 1 1 A 10 10 ASP CA C 10 53.833 53.288 0.545 1
1 32 . 4 1 1 A 10 10 ASP HA H 10 4.892 5.298 -0.406 1
1 33 . 4 1 1 A 10 10 ASP CB C 10 41.497 43.179 -1.682 1
1 35 . 4 1 1 A 10 10 ASP C C 10 176.306 176.401 -0.095 1
1 37 . 4 1 1 A 11 11 ALA N N 11 126.255 125.827 0.428 1
1 38 . 4 1 1 A 11 11 ALA H H 11 9.091 9.076 0.015 1
1 39 . 4 1 1 A 11 11 ALA CA C 11 54.713 55.029 -0.316 1
1 40 . 4 1 1 A 11 11 ALA HA H 11 4.056 4.209 -0.153 1
1 41 . 4 1 1 A 11 11 ALA CB C 11 20.177 18.552 1.625 1
1 45 . 4 1 1 A 11 11 ALA C C 11 177.950 179.717 -1.767 1
1 46 . 4 1 1 A 12 12 SER N N 12 110.658 113.929 -3.271 1
1 47 . 4 1 1 A 12 12 SER H H 12 8.224 8.081 0.143 1
1 48 . 4 1 1 A 12 12 SER CA C 12 60.857 61.552 -0.695 1
1 49 . 4 1 1 A 12 12 SER HA H 12 4.240 4.201 0.039 1
1 50 . 4 1 1 A 12 12 SER CB C 12 62.964 63.120 -0.156 1
1 52 . 4 1 1 A 12 12 SER C C 12 175.312 176.165 -0.853 1
1 54 . 4 1 1 A 13 13 LYS N N 13 119.063 118.168 0.895 1
1 55 . 4 1 1 A 13 13 LYS H H 13 7.349 7.770 -0.421 1
1 56 . 4 1 1 A 13 13 LYS CA C 13 54.948 58.420 -3.472 1
1 57 . 4 1 1 A 13 13 LYS HA H 13 4.293 4.304 -0.011 1
1 58 . 4 1 1 A 13 13 LYS CB C 13 33.037 32.824 0.213 1
1 66 . 4 1 1 A 13 13 LYS C C 13 177.263 177.572 -0.309 1
1 71 . 4 1 1 A 14 14 VAL N N 14 124.317 119.793 4.524 1
1 72 . 4 1 1 A 14 14 VAL H H 14 7.500 7.445 0.055 1
1 73 . 4 1 1 A 14 14 VAL CA C 14 63.797 63.019 0.778 1
1 74 . 4 1 1 A 14 14 VAL HA H 14 3.870 3.807 0.063 1
1 75 . 4 1 1 A 14 14 VAL CB C 14 31.996 31.392 0.604 1
1 85 . 4 1 1 A 14 14 VAL C C 14 175.873 175.319 0.554 1
1 86 . 4 1 1 A 15 15 THR N N 15 117.704 119.491 -1.787 1
1 87 . 4 1 1 A 15 15 THR H H 15 8.197 8.257 -0.060 1
1 88 . 4 1 1 A 15 15 THR CA C 15 59.805 59.529 0.276 1
1 89 . 4 1 1 A 15 15 THR HA H 15 4.911 5.246 -0.335 1
1 90 . 4 1 1 A 15 15 THR CB C 15 71.373 71.552 -0.179 1
1 96 . 4 1 1 A 15 15 THR C C 15 172.695 174.196 -1.501 1
1 97 . 4 1 1 A 16 16 SER N N 16 113.256 116.124 -2.868 1
1 98 . 4 1 1 A 16 16 SER H H 16 8.442 9.031 -0.589 1
1 99 . 4 1 1 A 16 16 SER CA C 16 57.155 56.658 0.497 1
1 100 . 4 1 1 A 16 16 SER HA H 16 5.564 5.443 0.121 1
1 101 . 4 1 1 A 16 16 SER CB C 16 66.124 65.748 0.376 1
1 103 . 4 1 1 A 16 16 SER C C 16 173.455 173.463 -0.008 1
1 105 . 4 1 1 A 17 17 LYS N N 17 117.543 120.663 -3.120 1
1 106 . 4 1 1 A 17 17 LYS H H 17 8.870 8.904 -0.034 1
1 107 . 4 1 1 A 17 17 LYS CA C 17 56.063 54.380 1.683 1
1 108 . 4 1 1 A 17 17 LYS HA H 17 4.673 5.137 -0.464 1
1 109 . 4 1 1 A 17 17 LYS CB C 17 35.602 36.018 -0.416 1
1 117 . 4 1 1 A 17 17 LYS C C 17 174.625 175.176 -0.551 1
1 122 . 4 1 1 A 18 18 GLY N N 18 110.702 107.888 2.814 1
1 123 . 4 1 1 A 18 18 GLY H H 18 8.746 8.480 0.266 1
1 124 . 4 1 1 A 18 18 GLY CA C 18 44.501 44.569 -0.068 1
1 125 . 4 1 1 A 18 18 GLY HA3 H 18 3.998 4.292 -0.294 1
1 126 . 4 1 1 A 18 18 GLY C C 18 175.460 174.742 0.718 1
1 127 . 4 1 1 A 18 18 GLY HA2 H 18 4.947 4.253 0.694 1
1 128 . 4 1 1 A 19 19 ALA CA C 19 55.387 55.034 0.353 1
1 129 . 4 1 1 A 19 19 ALA HA H 19 4.229 4.068 0.161 1
1 130 . 4 1 1 A 19 19 ALA CB C 19 18.689 18.738 -0.049 1
1 134 . 4 1 1 A 19 19 ALA C C 19 179.606 179.876 -0.270 1
1 135 . 4 1 1 A 20 20 GLY N N 20 101.587 107.272 -5.685 1
1 136 . 4 1 1 A 20 20 GLY H H 20 8.466 8.280 0.186 1
1 137 . 4 1 1 A 20 20 GLY CA C 20 46.078 47.193 -1.115 1
1 138 . 4 1 1 A 20 20 GLY HA3 H 20 3.596 3.836 -0.240 1
1 139 . 4 1 1 A 20 20 GLY C C 20 173.214 176.396 -3.182 1
1 140 . 4 1 1 A 20 20 GLY HA2 H 20 4.689 3.789 0.900 1
1 141 . 4 1 1 A 21 21 LEU N N 21 115.987 122.879 -6.892 1
1 142 . 4 1 1 A 21 21 LEU H H 21 6.928 7.859 -0.931 1
1 143 . 4 1 1 A 21 21 LEU CA C 21 55.567 57.335 -1.768 1
1 144 . 4 1 1 A 21 21 LEU HA H 21 3.404 3.774 -0.370 1
1 145 . 4 1 1 A 21 21 LEU CB C 21 41.702 40.970 0.732 1
1 157 . 4 1 1 A 21 21 LEU C C 21 175.989 179.396 -3.407 1
1 159 . 4 1 1 A 22 22 SER N N 22 106.483 113.401 -6.918 1
1 160 . 4 1 1 A 22 22 SER H H 22 7.808 8.033 -0.225 1
1 161 . 4 1 1 A 22 22 SER CA C 22 58.956 60.993 -2.037 1
1 162 . 4 1 1 A 22 22 SER HA H 22 4.901 4.448 0.453 1
1 163 . 4 1 1 A 22 22 SER CB C 22 66.238 63.670 2.568 1
1 165 . 4 1 1 A 22 22 SER C C 22 174.051 174.127 -0.076 1
1 167 . 4 1 1 A 23 23 LYS N N 23 124.757 115.107 9.650 1
1 168 . 4 1 1 A 23 23 LYS H H 23 8.399 7.994 0.405 1
1 169 . 4 1 1 A 23 23 LYS CA C 23 55.676 54.929 0.747 1
1 170 . 4 1 1 A 23 23 LYS HA H 23 4.973 4.736 0.237 1
1 171 . 4 1 1 A 23 23 LYS CB C 23 36.338 36.033 0.305 1
1 179 . 4 1 1 A 23 23 LYS C C 23 173.136 174.061 -0.925 1
1 184 . 4 1 1 A 24 24 ALA N N 24 123.565 121.771 1.794 1
1 185 . 4 1 1 A 24 24 ALA H H 24 7.541 8.374 -0.833 1
1 186 . 4 1 1 A 24 24 ALA CA C 24 51.148 50.275 0.873 1
1 187 . 4 1 1 A 24 24 ALA HA H 24 4.256 5.522 -1.266 1
1 188 . 4 1 1 A 24 24 ALA CB C 24 22.019 23.682 -1.663 1
1 192 . 4 1 1 A 24 24 ALA C C 24 173.515 175.971 -2.456 1
1 193 . 4 1 1 A 25 25 PHE N N 25 114.269 117.353 -3.084 1
1 194 . 4 1 1 A 25 25 PHE H H 25 7.858 8.973 -1.115 1
1 195 . 4 1 1 A 25 25 PHE CA C 25 55.809 56.462 -0.653 1
1 196 . 4 1 1 A 25 25 PHE HA H 25 5.191 4.931 0.260 1
1 197 . 4 1 1 A 25 25 PHE CB C 25 41.943 42.122 -0.179 1
1 209 . 4 1 1 A 25 25 PHE C C 25 177.046 175.659 1.387 1
1 211 . 4 1 1 A 26 26 VAL N N 26 123.270 122.703 0.567 1
1 212 . 4 1 1 A 26 26 VAL H H 26 9.338 8.645 0.693 1
1 213 . 4 1 1 A 26 26 VAL CA C 26 65.054 65.257 -0.203 1
1 214 . 4 1 1 A 26 26 VAL HA H 26 3.441 3.534 -0.093 1
1 215 . 4 1 1 A 26 26 VAL CB C 26 31.757 31.493 0.264 1
1 225 . 4 1 1 A 26 26 VAL C C 26 178.201 177.298 0.903 1
1 226 . 4 1 1 A 27 27 GLY N N 27 112.668 114.871 -2.203 1
1 227 . 4 1 1 A 27 27 GLY H H 27 8.862 9.316 -0.454 1
1 228 . 4 1 1 A 27 27 GLY CA C 27 45.857 45.375 0.482 1
1 229 . 4 1 1 A 27 27 GLY HA3 H 27 4.229 4.027 0.202 1
1 230 . 4 1 1 A 27 27 GLY C C 27 173.411 174.341 -0.930 1
1 231 . 4 1 1 A 27 27 GLY HA2 H 27 3.631 4.027 -0.396 1
1 232 . 4 1 1 A 28 28 GLN N N 28 118.568 120.745 -2.177 1
1 233 . 4 1 1 A 28 28 GLN H H 28 7.755 7.943 -0.188 1
1 234 . 4 1 1 A 28 28 GLN CA C 28 53.825 56.925 -3.100 1
1 235 . 4 1 1 A 28 28 GLN HA H 28 4.690 4.299 0.391 1
1 236 . 4 1 1 A 28 28 GLN CB C 28 30.975 29.909 1.066 1
1 243 . 4 1 1 A 28 28 GLN C C 28 175.517 175.411 0.106 1
1 246 . 4 1 1 A 29 29 LYS N N 29 123.598 124.856 -1.258 1
1 247 . 4 1 1 A 29 29 LYS H H 29 8.839 8.648 0.191 1
1 248 . 4 1 1 A 29 29 LYS CA C 29 57.587 55.886 1.701 1
1 249 . 4 1 1 A 29 29 LYS HA H 29 4.158 4.628 -0.470 1
1 250 . 4 1 1 A 29 29 LYS CB C 29 32.381 33.144 -0.763 1
1 258 . 4 1 1 A 29 29 LYS C C 29 176.190 174.824 1.366 1
1 263 . 4 1 1 A 30 30 SER N N 30 124.030 124.000 0.030 1
1 264 . 4 1 1 A 30 30 SER H H 30 8.694 8.284 0.410 1
1 265 . 4 1 1 A 30 30 SER CA C 30 57.560 58.725 -1.165 1
1 266 . 4 1 1 A 30 30 SER HA H 30 4.758 4.714 0.044 1
1 267 . 4 1 1 A 30 30 SER CB C 30 64.143 63.777 0.366 1
1 269 . 4 1 1 A 30 30 SER C C 30 173.413 174.008 -0.595 1
1 271 . 4 1 1 A 31 31 SER N N 31 116.828 118.680 -1.852 1
1 272 . 4 1 1 A 31 31 SER H H 31 8.894 8.637 0.257 1
1 273 . 4 1 1 A 31 31 SER CA C 31 57.132 55.560 1.572 1
1 274 . 4 1 1 A 31 31 SER HA H 31 6.181 5.310 0.871 1
1 275 . 4 1 1 A 31 31 SER CB C 31 67.745 66.396 1.349 1
1 277 . 4 1 1 A 31 31 SER C C 31 174.171 173.533 0.638 1
1 279 . 4 1 1 A 32 32 PHE N N 32 117.724 117.207 0.517 1
1 280 . 4 1 1 A 32 32 PHE H H 32 8.853 8.533 0.320 1
1 281 . 4 1 1 A 32 32 PHE CA C 32 57.190 56.180 1.010 1
1 282 . 4 1 1 A 32 32 PHE HA H 32 5.016 5.234 -0.218 1
1 283 . 4 1 1 A 32 32 PHE CB C 32 40.712 41.639 -0.927 1
1 295 . 4 1 1 A 32 32 PHE C C 32 170.765 172.174 -1.409 1
1 297 . 4 1 1 A 33 33 LEU N N 33 121.533 124.204 -2.671 1
1 298 . 4 1 1 A 33 33 LEU H H 33 9.223 8.877 0.346 1
1 299 . 4 1 1 A 33 33 LEU CA C 33 53.636 53.632 0.004 1
1 300 . 4 1 1 A 33 33 LEU HA H 33 5.531 5.237 0.294 1
1 301 . 4 1 1 A 33 33 LEU CB C 33 46.278 45.076 1.202 1
1 313 . 4 1 1 A 33 33 LEU C C 33 176.559 174.359 2.200 1
1 315 . 4 1 1 A 34 34 VAL N N 34 123.140 125.987 -2.847 1
1 316 . 4 1 1 A 34 34 VAL H H 34 9.257 8.866 0.391 1
1 317 . 4 1 1 A 34 34 VAL CA C 34 61.182 61.071 0.111 1
1 318 . 4 1 1 A 34 34 VAL HA H 34 4.785 4.968 -0.183 1
1 319 . 4 1 1 A 34 34 VAL CB C 34 34.589 34.788 -0.199 1
1 329 . 4 1 1 A 34 34 VAL C C 34 174.370 173.790 0.580 1
1 330 . 4 1 1 A 35 35 ASP N N 35 126.353 127.420 -1.067 1
1 331 . 4 1 1 A 35 35 ASP H H 35 9.312 8.940 0.372 1
1 332 . 4 1 1 A 35 35 ASP CA C 35 53.298 53.671 -0.373 1
1 333 . 4 1 1 A 35 35 ASP HA H 35 5.229 4.843 0.386 1
1 334 . 4 1 1 A 35 35 ASP CB C 35 41.538 41.603 -0.065 1
1 336 . 4 1 1 A 35 35 ASP C C 35 176.980 175.706 1.274 1
1 338 . 4 1 1 A 36 36 CYS N N 36 125.342 126.529 -1.187 1
1 339 . 4 1 1 A 36 36 CYS H H 36 9.275 8.917 0.358 1
1 340 . 4 1 1 A 36 36 CYS CA C 36 57.367 57.828 -0.461 1
1 341 . 4 1 1 A 36 36 CYS HA H 36 4.374 4.830 -0.456 1
1 342 . 4 1 1 A 36 36 CYS CB C 36 28.369 28.489 -0.120 1
1 344 . 4 1 1 A 36 36 CYS C C 36 177.015 175.284 1.731 1
1 346 . 4 1 1 A 37 37 SER N N 37 119.973 116.815 3.158 1
1 347 . 4 1 1 A 37 37 SER H H 37 9.039 8.126 0.913 1
1 348 . 4 1 1 A 37 37 SER CA C 37 62.787 61.226 1.561 1
1 349 . 4 1 1 A 37 37 SER HA H 37 3.932 4.318 -0.386 1
1 350 . 4 1 1 A 37 37 SER CB C 37 62.982 63.062 -0.080 1
1 352 . 4 1 1 A 37 37 SER C C 37 176.290 175.850 0.440 1
1 354 . 4 1 1 A 38 38 LYS N N 38 120.815 118.940 1.875 1
1 355 . 4 1 1 A 38 38 LYS H H 38 8.676 8.098 0.578 1
1 356 . 4 1 1 A 38 38 LYS CA C 38 55.123 55.300 -0.177 1
1 357 . 4 1 1 A 38 38 LYS HA H 38 4.730 4.649 0.081 1
1 358 . 4 1 1 A 38 38 LYS CB C 38 32.250 32.523 -0.273 1
1 366 . 4 1 1 A 38 38 LYS C C 38 176.385 176.631 -0.246 1
1 371 . 4 1 1 A 39 39 ALA N N 39 121.594 121.729 -0.135 1
1 372 . 4 1 1 A 39 39 ALA H H 39 7.322 7.888 -0.566 1
1 373 . 4 1 1 A 39 39 ALA CA C 39 52.127 53.277 -1.150 1
1 374 . 4 1 1 A 39 39 ALA HA H 39 4.436 4.354 0.082 1
1 375 . 4 1 1 A 39 39 ALA CB C 39 21.347 20.208 1.139 1
1 379 . 4 1 1 A 39 39 ALA C C 39 177.453 177.349 0.104 1
1 380 . 4 1 1 A 40 40 GLY N N 40 111.873 102.798 9.075 1
1 381 . 4 1 1 A 40 40 GLY H H 40 8.755 7.489 1.266 1
1 382 . 4 1 1 A 40 40 GLY CA C 40 45.619 45.750 -0.131 1
1 383 . 4 1 1 A 40 40 GLY HA3 H 40 4.329 4.363 -0.034 1
1 384 . 4 1 1 A 40 40 GLY C C 40 173.801 173.122 0.679 1
1 385 . 4 1 1 A 40 40 GLY HA2 H 40 3.754 4.216 -0.462 1
1 386 . 4 1 1 A 41 41 SER N N 41 117.149 116.719 0.430 1
1 387 . 4 1 1 A 41 41 SER H H 41 8.524 8.136 0.388 1
1 388 . 4 1 1 A 41 41 SER CA C 41 56.849 57.857 -1.008 1
1 389 . 4 1 1 A 41 41 SER HA H 41 5.010 4.835 0.175 1
1 390 . 4 1 1 A 41 41 SER CB C 41 63.917 63.051 0.866 1
1 392 . 4 1 1 A 41 41 SER C C 41 172.603 173.330 -0.727 1
1 394 . 4 1 1 A 42 42 ASN N N 42 125.590 117.955 7.635 1
1 395 . 4 1 1 A 42 42 ASN H H 42 7.155 7.652 -0.497 1
1 396 . 4 1 1 A 42 42 ASN CA C 42 50.805 51.576 -0.771 1
1 397 . 4 1 1 A 42 42 ASN HA H 42 3.256 4.861 -1.605 1
1 398 . 4 1 1 A 42 42 ASN CB C 42 39.354 39.840 -0.486 1
1 403 . 4 1 1 A 42 42 ASN C C 42 170.908 174.526 -3.618 1
1 405 . 4 1 1 A 43 43 MET N N 43 115.129 119.038 -3.909 1
1 406 . 4 1 1 A 43 43 MET H H 43 8.366 8.061 0.305 1
1 407 . 4 1 1 A 43 43 MET CA C 43 53.424 53.169 0.255 1
1 408 . 4 1 1 A 43 43 MET HA H 43 4.102 5.058 -0.956 1
1 409 . 4 1 1 A 43 43 MET CB C 43 35.572 34.620 0.952 1
1 417 . 4 1 1 A 43 43 MET C C 43 173.140 174.421 -1.281 1
1 420 . 4 1 1 A 44 44 LEU N N 44 128.038 124.688 3.350 1
1 421 . 4 1 1 A 44 44 LEU H H 44 8.300 8.586 -0.286 1
1 422 . 4 1 1 A 44 44 LEU CA C 44 53.806 53.565 0.241 1
1 423 . 4 1 1 A 44 44 LEU HA H 44 5.331 5.099 0.232 1
1 424 . 4 1 1 A 44 44 LEU CB C 44 43.598 44.023 -0.425 1
1 436 . 4 1 1 A 44 44 LEU C C 44 175.236 175.825 -0.589 1
1 438 . 4 1 1 A 45 45 LEU N N 45 126.999 121.980 5.019 1
1 439 . 4 1 1 A 45 45 LEU H H 45 9.109 8.575 0.534 1
1 440 . 4 1 1 A 45 45 LEU CA C 45 54.800 52.965 1.835 1
1 441 . 4 1 1 A 45 45 LEU HA H 45 5.135 5.205 -0.070 1
1 442 . 4 1 1 A 45 45 LEU CB C 45 45.499 46.138 -0.639 1
1 454 . 4 1 1 A 45 45 LEU C C 45 175.167 175.236 -0.069 1
1 456 . 4 1 1 A 46 46 ILE N N 46 118.172 119.948 -1.776 1
1 457 . 4 1 1 A 46 46 ILE H H 46 7.966 8.784 -0.818 1
1 458 . 4 1 1 A 46 46 ILE CA C 46 58.091 59.547 -1.456 1
1 459 . 4 1 1 A 46 46 ILE HA H 46 5.412 5.166 0.246 1
1 460 . 4 1 1 A 46 46 ILE CB C 46 41.988 41.374 0.614 1
1 472 . 4 1 1 A 46 46 ILE C C 46 174.748 175.558 -0.810 1
1 474 . 4 1 1 A 47 47 GLY N N 47 110.148 115.261 -5.113 1
1 475 . 4 1 1 A 47 47 GLY H H 47 8.554 9.008 -0.454 1
1 476 . 4 1 1 A 47 47 GLY CA C 47 46.136 46.233 -0.097 1
1 477 . 4 1 1 A 47 47 GLY HA3 H 47 4.604 4.180 0.424 1
1 478 . 4 1 1 A 47 47 GLY C C 47 171.583 173.147 -1.564 1
1 479 . 4 1 1 A 47 47 GLY HA2 H 47 3.933 4.179 -0.246 1
1 480 . 4 1 1 A 48 48 VAL N N 48 120.434 118.460 1.974 1
1 481 . 4 1 1 A 48 48 VAL H H 48 9.048 7.838 1.210 1
1 482 . 4 1 1 A 48 48 VAL CA C 48 61.060 62.114 -1.054 1
1 483 . 4 1 1 A 48 48 VAL HA H 48 5.143 4.096 1.047 1
1 484 . 4 1 1 A 48 48 VAL CB C 48 34.976 32.151 2.825 1
1 494 . 4 1 1 A 48 48 VAL C C 48 175.260 175.483 -0.223 1
1 495 . 4 1 1 A 49 49 HIS N N 49 127.718 126.436 1.282 1
1 496 . 4 1 1 A 49 49 HIS H H 49 9.556 8.833 0.723 1
1 497 . 4 1 1 A 49 49 HIS CA C 49 55.342 54.713 0.629 1
1 498 . 4 1 1 A 49 49 HIS HA H 49 4.987 5.055 -0.068 1
1 499 . 4 1 1 A 49 49 HIS CB C 49 34.476 31.948 2.528 1
1 505 . 4 1 1 A 49 49 HIS C C 49 173.822 174.298 -0.476 1
1 507 . 4 1 1 A 50 50 GLY N N 50 115.577 113.175 2.402 1
1 508 . 4 1 1 A 50 50 GLY H H 50 8.192 8.846 -0.654 1
1 509 . 4 1 1 A 50 50 GLY CA C 50 44.693 46.814 -2.121 1
1 510 . 4 1 1 A 50 50 GLY HA3 H 50 3.247 4.242 -0.995 1
1 511 . 4 1 1 A 50 50 GLY C C 50 171.437 174.101 -2.664 1
1 512 . 4 1 1 A 50 50 GLY HA2 H 50 3.722 4.241 -0.519 1
1 513 . 4 1 1 A 51 51 PRO CA C 51 64.376 64.869 -0.493 1
1 514 . 4 1 1 A 51 51 PRO HA H 51 4.104 4.435 -0.331 1
1 515 . 4 1 1 A 51 51 PRO CB C 51 32.141 31.981 0.160 1
1 521 . 4 1 1 A 51 51 PRO C C 51 177.607 178.014 -0.407 1
1 525 . 4 1 1 A 52 52 THR N N 52 109.088 109.805 -0.717 1
1 526 . 4 1 1 A 52 52 THR H H 52 8.447 8.273 0.174 1
1 527 . 4 1 1 A 52 52 THR CA C 52 62.861 63.603 -0.742 1
1 528 . 4 1 1 A 52 52 THR HA H 52 4.424 4.605 -0.181 1
1 529 . 4 1 1 A 52 52 THR CB C 52 70.329 71.513 -1.184 1
1 535 . 4 1 1 A 52 52 THR C C 52 174.926 173.945 0.981 1
1 536 . 4 1 1 A 53 53 THR N N 53 118.915 110.872 8.043 1
1 537 . 4 1 1 A 53 53 THR H H 53 7.983 7.734 0.249 1
1 538 . 4 1 1 A 53 53 THR CA C 53 59.878 58.445 1.433 1
1 539 . 4 1 1 A 53 53 THR HA H 53 4.751 4.901 -0.150 1
1 540 . 4 1 1 A 53 53 THR CB C 53 71.034 70.906 0.128 1
1 546 . 4 1 1 A 53 53 THR C C 53 172.019 172.141 -0.122 1
1 547 . 4 1 1 A 54 54 PRO CA C 54 62.614 62.265 0.349 1
1 548 . 4 1 1 A 54 54 PRO HA H 54 4.629 4.595 0.034 1
1 549 . 4 1 1 A 54 54 PRO CB C 54 32.845 32.832 0.013 1
1 555 . 4 1 1 A 54 54 PRO C C 54 177.751 176.403 1.348 1
1 559 . 4 1 1 A 55 55 CYS N N 55 121.538 119.168 2.370 1
1 560 . 4 1 1 A 55 55 CYS H H 55 8.938 8.260 0.678 1
1 561 . 4 1 1 A 55 55 CYS CA C 55 60.342 57.499 2.843 1
1 562 . 4 1 1 A 55 55 CYS HA H 55 4.563 4.854 -0.291 1
1 563 . 4 1 1 A 55 55 CYS CB C 55 27.534 30.270 -2.736 1
1 565 . 4 1 1 A 55 55 CYS C C 55 174.437 175.775 -1.338 1
1 567 . 4 1 1 A 56 56 GLU N N 56 124.530 123.628 0.902 1
1 568 . 4 1 1 A 56 56 GLU H H 56 8.450 8.637 -0.187 1
1 569 . 4 1 1 A 56 56 GLU CA C 56 59.363 59.221 0.142 1
1 570 . 4 1 1 A 56 56 GLU HA H 56 4.471 4.238 0.233 1
1 571 . 4 1 1 A 56 56 GLU CB C 56 31.217 30.613 0.604 1
1 575 . 4 1 1 A 56 56 GLU C C 56 176.847 176.640 0.207 1
1 578 . 4 1 1 A 57 57 GLU N N 57 114.661 113.879 0.782 1
1 579 . 4 1 1 A 57 57 GLU H H 57 7.478 7.752 -0.274 1
1 580 . 4 1 1 A 57 57 GLU CA C 57 55.551 55.508 0.043 1
1 581 . 4 1 1 A 57 57 GLU HA H 57 5.414 4.688 0.726 1
1 582 . 4 1 1 A 57 57 GLU CB C 57 34.084 31.612 2.472 1
1 586 . 4 1 1 A 57 57 GLU C C 57 174.400 173.895 0.505 1
1 589 . 4 1 1 A 58 58 VAL N N 58 123.611 120.424 3.187 1
1 590 . 4 1 1 A 58 58 VAL H H 58 8.605 8.482 0.123 1
1 591 . 4 1 1 A 58 58 VAL CA C 58 62.048 62.081 -0.033 1
1 592 . 4 1 1 A 58 58 VAL HA H 58 4.941 4.683 0.258 1
1 593 . 4 1 1 A 58 58 VAL CB C 58 35.700 34.000 1.700 1
1 603 . 4 1 1 A 58 58 VAL C C 58 174.426 174.896 -0.470 1
1 604 . 4 1 1 A 59 59 SER N N 59 121.592 124.558 -2.966 1
1 605 . 4 1 1 A 59 59 SER H H 59 9.635 8.854 0.781 1
1 606 . 4 1 1 A 59 59 SER CA C 59 57.012 58.529 -1.517 1
1 607 . 4 1 1 A 59 59 SER HA H 59 5.526 4.904 0.622 1
1 608 . 4 1 1 A 59 59 SER CB C 59 65.896 63.750 2.146 1
1 610 . 4 1 1 A 59 59 SER C C 59 172.465 174.155 -1.690 1
1 612 . 4 1 1 A 60 60 MET N N 60 122.508 125.228 -2.720 1
1 613 . 4 1 1 A 60 60 MET H H 60 9.435 9.153 0.282 1
1 614 . 4 1 1 A 60 60 MET CA C 60 54.541 53.639 0.902 1
1 615 . 4 1 1 A 60 60 MET HA H 60 5.352 5.782 -0.430 1
1 616 . 4 1 1 A 60 60 MET CB C 60 37.420 35.138 2.282 1
1 624 . 4 1 1 A 60 60 MET C C 60 174.616 175.181 -0.565 1
1 627 . 4 1 1 A 61 61 LYS N N 61 125.580 123.223 2.357 1
1 628 . 4 1 1 A 61 61 LYS H H 61 8.963 8.847 0.116 1
1 629 . 4 1 1 A 61 61 LYS CA C 61 54.688 55.032 -0.344 1
1 630 . 4 1 1 A 61 61 LYS HA H 61 5.396 4.934 0.462 1
1 631 . 4 1 1 A 61 61 LYS CB C 61 36.412 36.640 -0.228 1
1 639 . 4 1 1 A 61 61 LYS C C 61 175.548 174.823 0.725 1
1 644 . 4 1 1 A 62 62 HIS N N 62 125.822 123.458 2.364 1
1 645 . 4 1 1 A 62 62 HIS H H 62 8.967 8.904 0.063 1
1 646 . 4 1 1 A 62 62 HIS CA C 62 55.674 53.730 1.944 1
1 647 . 4 1 1 A 62 62 HIS HA H 62 4.621 4.636 -0.015 1
1 648 . 4 1 1 A 62 62 HIS CB C 62 29.732 28.806 0.926 1
1 654 . 4 1 1 A 62 62 HIS C C 62 175.912 174.931 0.981 1
1 656 . 4 1 1 A 63 63 VAL N N 63 124.131 123.987 0.144 1
1 657 . 4 1 1 A 63 63 VAL H H 63 8.633 7.962 0.671 1
1 658 . 4 1 1 A 63 63 VAL CA C 63 61.288 64.469 -3.181 1
1 659 . 4 1 1 A 63 63 VAL HA H 63 4.299 3.661 0.638 1
1 660 . 4 1 1 A 63 63 VAL CB C 63 30.964 32.088 -1.124 1
1 670 . 4 1 1 A 63 63 VAL C C 63 175.339 175.368 -0.029 1
1 671 . 4 1 1 A 64 64 GLY N N 64 108.087 109.369 -1.282 1
1 672 . 4 1 1 A 64 64 GLY H H 64 5.406 7.044 -1.638 1
1 673 . 4 1 1 A 64 64 GLY CA C 64 44.979 43.231 1.748 1
1 674 . 4 1 1 A 64 64 GLY HA3 H 64 3.118 3.805 -0.687 1
1 675 . 4 1 1 A 64 64 GLY C C 64 174.125 173.719 0.406 1
1 676 . 4 1 1 A 64 64 GLY HA2 H 64 4.287 3.256 1.031 1
1 677 . 4 1 1 A 65 65 ASN N N 65 118.292 118.655 -0.363 1
1 678 . 4 1 1 A 65 65 ASN H H 65 9.260 9.170 0.090 1
1 679 . 4 1 1 A 65 65 ASN CA C 65 54.643 53.954 0.689 1
1 680 . 4 1 1 A 65 65 ASN HA H 65 4.401 4.366 0.035 1
1 681 . 4 1 1 A 65 65 ASN CB C 65 37.695 37.163 0.532 1
1 686 . 4 1 1 A 65 65 ASN C C 65 174.079 174.233 -0.154 1
1 688 . 4 1 1 A 66 66 GLN N N 66 111.325 110.103 1.222 1
1 689 . 4 1 1 A 66 66 GLN H H 66 10.512 8.533 1.979 1
1 690 . 4 1 1 A 66 66 GLN CA C 66 57.009 57.347 -0.338 1
1 691 . 4 1 1 A 66 66 GLN HA H 66 3.713 3.945 -0.232 1
1 692 . 4 1 1 A 66 66 GLN CB C 66 24.986 26.810 -1.824 1
1 699 . 4 1 1 A 66 66 GLN C C 66 173.896 174.238 -0.342 1
1 702 . 4 1 1 A 67 67 GLN N N 67 115.692 117.304 -1.612 1
1 703 . 4 1 1 A 67 67 GLN H H 67 7.492 7.773 -0.281 1
1 704 . 4 1 1 A 67 67 GLN CA C 67 54.496 54.217 0.279 1
1 705 . 4 1 1 A 67 67 GLN HA H 67 5.400 5.124 0.276 1
1 706 . 4 1 1 A 67 67 GLN CB C 67 29.896 31.472 -1.576 1
1 713 . 4 1 1 A 67 67 GLN C C 67 175.043 174.432 0.611 1
1 716 . 4 1 1 A 68 68 TYR N N 68 121.249 118.665 2.584 1
1 717 . 4 1 1 A 68 68 TYR H H 68 9.573 8.582 0.991 1
1 718 . 4 1 1 A 68 68 TYR CA C 68 56.443 56.478 -0.035 1
1 719 . 4 1 1 A 68 68 TYR HA H 68 5.417 5.177 0.240 1
1 720 . 4 1 1 A 68 68 TYR CB C 68 41.249 41.559 -0.310 1
1 730 . 4 1 1 A 68 68 TYR C C 68 174.846 174.184 0.662 1
1 732 . 4 1 1 A 69 69 ASN N N 69 122.429 123.696 -1.267 1
1 733 . 4 1 1 A 69 69 ASN H H 69 9.354 9.480 -0.126 1
1 734 . 4 1 1 A 69 69 ASN CA C 69 52.454 52.901 -0.447 1
1 735 . 4 1 1 A 69 69 ASN HA H 69 5.260 4.927 0.333 1
1 736 . 4 1 1 A 69 69 ASN CB C 69 40.922 40.312 0.610 1
1 741 . 4 1 1 A 69 69 ASN C C 69 174.835 174.206 0.629 1
1 743 . 4 1 1 A 70 70 VAL N N 70 131.599 126.499 5.100 1
1 744 . 4 1 1 A 70 70 VAL H H 70 9.157 7.988 1.169 1
1 745 . 4 1 1 A 70 70 VAL CA C 70 60.900 60.696 0.204 1
1 746 . 4 1 1 A 70 70 VAL HA H 70 4.910 5.011 -0.101 1
1 747 . 4 1 1 A 70 70 VAL CB C 70 31.882 34.190 -2.308 1
1 757 . 4 1 1 A 70 70 VAL C C 70 174.368 174.395 -0.027 1
1 758 . 4 1 1 A 71 71 THR N N 71 119.213 121.280 -2.067 1
1 759 . 4 1 1 A 71 71 THR H H 71 8.996 8.594 0.402 1
1 760 . 4 1 1 A 71 71 THR CA C 71 59.796 61.109 -1.313 1
1 761 . 4 1 1 A 71 71 THR HA H 71 5.614 5.240 0.374 1
1 762 . 4 1 1 A 71 71 THR CB C 71 72.339 71.889 0.450 1
1 768 . 4 1 1 A 71 71 THR C C 71 173.260 173.336 -0.076 1
1 769 . 4 1 1 A 72 72 TYR N N 72 121.105 121.335 -0.230 1
1 770 . 4 1 1 A 72 72 TYR H H 72 9.200 8.477 0.723 1
1 771 . 4 1 1 A 72 72 TYR CA C 72 56.112 55.482 0.630 1
1 772 . 4 1 1 A 72 72 TYR HA H 72 5.600 5.661 -0.061 1
1 773 . 4 1 1 A 72 72 TYR CB C 72 41.878 41.749 0.129 1
1 783 . 4 1 1 A 72 72 TYR C C 72 173.176 173.060 0.116 1
1 785 . 4 1 1 A 73 73 VAL N N 73 118.799 119.589 -0.790 1
1 786 . 4 1 1 A 73 73 VAL H H 73 8.214 8.774 -0.560 1
1 787 . 4 1 1 A 73 73 VAL CA C 73 61.111 60.783 0.328 1
1 788 . 4 1 1 A 73 73 VAL HA H 73 4.514 4.975 -0.461 1
1 789 . 4 1 1 A 73 73 VAL CB C 73 35.729 35.847 -0.118 1
1 799 . 4 1 1 A 73 73 VAL C C 73 175.529 175.221 0.308 1
1 800 . 4 1 1 A 74 74 VAL N N 74 121.061 120.484 0.577 1
1 801 . 4 1 1 A 74 74 VAL H H 74 8.947 8.852 0.095 1
1 802 . 4 1 1 A 74 74 VAL CA C 74 59.858 58.883 0.975 1
1 803 . 4 1 1 A 74 74 VAL HA H 74 4.785 4.933 -0.148 1
1 804 . 4 1 1 A 74 74 VAL CB C 74 32.795 34.975 -2.180 1
1 814 . 4 1 1 A 74 74 VAL C C 74 176.022 175.287 0.735 1
1 815 . 4 1 1 A 75 75 LYS N N 75 120.273 120.151 0.122 1
1 816 . 4 1 1 A 75 75 LYS H H 75 9.404 8.824 0.580 1
1 817 . 4 1 1 A 75 75 LYS CA C 75 55.705 56.234 -0.529 1
1 818 . 4 1 1 A 75 75 LYS HA H 75 4.653 4.684 -0.031 1
1 819 . 4 1 1 A 75 75 LYS CB C 75 34.767 34.659 0.108 1
1 827 . 4 1 1 A 75 75 LYS C C 75 175.025 176.264 -1.239 1
1 832 . 4 1 1 A 76 76 GLU N N 76 117.540 121.131 -3.591 1
1 833 . 4 1 1 A 76 76 GLU H H 76 7.224 7.795 -0.571 1
1 834 . 4 1 1 A 76 76 GLU CA C 76 54.893 55.276 -0.383 1
1 835 . 4 1 1 A 76 76 GLU HA H 76 4.747 4.984 -0.237 1
1 836 . 4 1 1 A 76 76 GLU CB C 76 33.199 33.093 0.106 1
1 840 . 4 1 1 A 76 76 GLU C C 76 175.664 175.881 -0.217 1
1 843 . 4 1 1 A 77 77 ARG N N 77 125.564 122.343 3.221 1
1 844 . 4 1 1 A 77 77 ARG H H 77 8.906 8.493 0.413 1
1 845 . 4 1 1 A 77 77 ARG CA C 77 56.610 54.147 2.463 1
1 846 . 4 1 1 A 77 77 ARG HA H 77 4.234 4.993 -0.759 1
1 847 . 4 1 1 A 77 77 ARG CB C 77 31.036 32.588 -1.552 1
1 855 . 4 1 1 A 77 77 ARG C C 77 174.779 175.354 -0.575 1
1 859 . 4 1 1 A 78 78 GLY N N 78 108.773 107.284 1.489 1
1 860 . 4 1 1 A 78 78 GLY H H 78 8.928 8.246 0.682 1
1 861 . 4 1 1 A 78 78 GLY CA C 78 44.418 44.646 -0.228 1
1 862 . 4 1 1 A 78 78 GLY HA3 H 78 3.770 4.124 -0.354 1
1 863 . 4 1 1 A 78 78 GLY C C 78 171.452 172.788 -1.336 1
1 864 . 4 1 1 A 78 78 GLY HA2 H 78 4.467 4.124 0.343 1
1 865 . 4 1 1 A 79 79 ASP N N 79 120.109 123.897 -3.788 1
1 866 . 4 1 1 A 79 79 ASP H H 79 8.070 8.410 -0.340 1
1 867 . 4 1 1 A 79 79 ASP CA C 79 54.204 53.135 1.069 1
1 868 . 4 1 1 A 79 79 ASP HA H 79 5.344 5.373 -0.029 1
1 869 . 4 1 1 A 79 79 ASP CB C 79 42.148 44.051 -1.903 1
1 871 . 4 1 1 A 79 79 ASP C C 79 175.474 174.496 0.978 1
1 873 . 4 1 1 A 80 80 TYR N N 80 121.969 124.358 -2.389 1
1 874 . 4 1 1 A 80 80 TYR H H 80 9.412 9.155 0.257 1
1 875 . 4 1 1 A 80 80 TYR CA C 80 56.872 56.548 0.324 1
1 876 . 4 1 1 A 80 80 TYR HA H 80 4.821 5.302 -0.481 1
1 877 . 4 1 1 A 80 80 TYR CB C 80 41.557 42.981 -1.424 1
1 887 . 4 1 1 A 80 80 TYR C C 80 175.552 175.014 0.538 1
1 889 . 4 1 1 A 81 81 VAL N N 81 121.669 120.158 1.511 1
1 890 . 4 1 1 A 81 81 VAL H H 81 8.688 8.833 -0.145 1
1 891 . 4 1 1 A 81 81 VAL CA C 81 61.217 61.388 -0.171 1
1 892 . 4 1 1 A 81 81 VAL HA H 81 4.606 4.843 -0.237 1
1 893 . 4 1 1 A 81 81 VAL CB C 81 33.990 34.739 -0.749 1
1 903 . 4 1 1 A 81 81 VAL C C 81 173.568 174.267 -0.699 1
1 904 . 4 1 1 A 82 82 LEU N N 82 129.806 130.402 -0.596 1
1 905 . 4 1 1 A 82 82 LEU H H 82 8.873 8.644 0.229 1
1 906 . 4 1 1 A 82 82 LEU CA C 82 53.321 53.903 -0.582 1
1 907 . 4 1 1 A 82 82 LEU HA H 82 5.150 5.053 0.097 1
1 908 . 4 1 1 A 82 82 LEU CB C 82 44.594 44.141 0.453 1
1 920 . 4 1 1 A 82 82 LEU C C 82 174.427 174.912 -0.485 1
1 922 . 4 1 1 A 83 83 ALA N N 83 128.482 130.091 -1.609 1
1 923 . 4 1 1 A 83 83 ALA H H 83 9.294 9.066 0.228 1
1 924 . 4 1 1 A 83 83 ALA CA C 83 50.133 50.301 -0.168 1
1 925 . 4 1 1 A 83 83 ALA HA H 83 5.081 5.127 -0.046 1
1 926 . 4 1 1 A 83 83 ALA CB C 83 21.500 20.529 0.971 1
1 930 . 4 1 1 A 83 83 ALA C C 83 174.991 175.996 -1.005 1
1 931 . 4 1 1 A 84 84 VAL N N 84 121.691 123.703 -2.012 1
1 932 . 4 1 1 A 84 84 VAL H H 84 9.222 8.998 0.224 1
1 933 . 4 1 1 A 84 84 VAL CA C 84 61.324 61.288 0.036 1
1 934 . 4 1 1 A 84 84 VAL HA H 84 4.785 4.858 -0.073 1
1 935 . 4 1 1 A 84 84 VAL CB C 84 34.116 34.235 -0.119 1
1 945 . 4 1 1 A 84 84 VAL C C 84 174.156 174.729 -0.573 1
1 946 . 4 1 1 A 85 85 LYS N N 85 124.020 125.759 -1.739 1
1 947 . 4 1 1 A 85 85 LYS H H 85 9.193 8.605 0.588 1
1 948 . 4 1 1 A 85 85 LYS CA C 85 54.222 54.184 0.038 1
1 949 . 4 1 1 A 85 85 LYS HA H 85 4.958 5.221 -0.263 1
1 950 . 4 1 1 A 85 85 LYS CB C 85 34.814 35.927 -1.113 1
1 958 . 4 1 1 A 85 85 LYS C C 85 173.704 175.101 -1.397 1
1 963 . 4 1 1 A 86 86 TRP N N 86 123.429 124.496 -1.067 1
1 964 . 4 1 1 A 86 86 TRP H H 86 8.623 9.059 -0.436 1
1 965 . 4 1 1 A 86 86 TRP CA C 86 53.803 56.807 -3.004 1
1 966 . 4 1 1 A 86 86 TRP HA H 86 5.583 4.896 0.687 1
1 967 . 4 1 1 A 86 86 TRP CB C 86 32.084 31.297 0.787 1
1 981 . 4 1 1 A 86 86 TRP C C 86 176.916 175.834 1.082 1
1 983 . 4 1 1 A 87 87 GLY N N 87 116.722 115.130 1.592 1
1 984 . 4 1 1 A 87 87 GLY H H 87 8.782 8.612 0.170 1
1 985 . 4 1 1 A 87 87 GLY CA C 87 46.432 46.675 -0.243 1
1 986 . 4 1 1 A 87 87 GLY HA3 H 87 3.152 3.609 -0.457 1
1 987 . 4 1 1 A 87 87 GLY C C 87 173.838 174.088 -0.250 1
1 988 . 4 1 1 A 87 87 GLY HA2 H 87 3.732 3.358 0.374 1
1 989 . 4 1 1 A 88 88 GLU N N 88 122.405 110.557 11.848 1
1 990 . 4 1 1 A 88 88 GLU H H 88 8.592 8.432 0.160 1
1 991 . 4 1 1 A 88 88 GLU CA C 88 56.004 57.826 -1.822 1
1 992 . 4 1 1 A 88 88 GLU HA H 88 4.057 3.830 0.227 1
1 993 . 4 1 1 A 88 88 GLU CB C 88 29.764 27.560 2.204 1
1 997 . 4 1 1 A 88 88 GLU C C 88 176.465 174.910 1.555 1
1 1000 . 4 1 1 A 89 89 GLU N N 89 117.358 117.482 -0.124 1
1 1001 . 4 1 1 A 89 89 GLU H H 89 7.226 7.567 -0.341 1
1 1002 . 4 1 1 A 89 89 GLU CA C 89 54.921 54.716 0.205 1
1 1003 . 4 1 1 A 89 89 GLU HA H 89 4.580 5.153 -0.573 1
1 1004 . 4 1 1 A 89 89 GLU CB C 89 33.160 34.355 -1.195 1
1 1008 . 4 1 1 A 89 89 GLU C C 89 175.674 175.289 0.385 1
1 1011 . 4 1 1 A 90 90 HIS N N 90 122.210 116.375 5.835 1
1 1012 . 4 1 1 A 90 90 HIS H H 90 8.603 8.842 -0.239 1
1 1013 . 4 1 1 A 90 90 HIS CA C 90 58.321 54.445 3.876 1
1 1014 . 4 1 1 A 90 90 HIS HA H 90 4.343 5.096 -0.753 1
1 1015 . 4 1 1 A 90 90 HIS CB C 90 32.786 31.952 0.834 1
1 1021 . 4 1 1 A 90 90 HIS C C 90 177.001 175.310 1.691 1
1 1023 . 4 1 1 A 91 91 ILE N N 91 117.760 122.587 -4.827 1
1 1024 . 4 1 1 A 91 91 ILE H H 91 8.289 8.068 0.221 1
1 1025 . 4 1 1 A 91 91 ILE CA C 91 61.019 60.253 0.766 1
1 1026 . 4 1 1 A 91 91 ILE HA H 91 4.482 4.267 0.215 1
1 1027 . 4 1 1 A 91 91 ILE CB C 91 35.655 37.894 -2.239 1
1 1039 . 4 1 1 A 91 91 ILE C C 91 173.231 175.454 -2.223 1
1 1041 . 4 1 1 A 92 92 PRO CA C 92 65.378 63.763 1.615 1
1 1042 . 4 1 1 A 92 92 PRO HA H 92 4.207 4.298 -0.091 1
1 1043 . 4 1 1 A 92 92 PRO CB C 92 31.301 31.280 0.021 1
1 1049 . 4 1 1 A 92 92 PRO C C 92 177.559 177.417 0.142 1
1 1053 . 4 1 1 A 93 93 GLY N N 93 115.174 113.209 1.965 1
1 1054 . 4 1 1 A 93 93 GLY H H 93 8.291 8.798 -0.507 1
1 1055 . 4 1 1 A 93 93 GLY CA C 93 44.729 44.602 0.127 1
1 1056 . 4 1 1 A 93 93 GLY HA3 H 93 3.122 3.645 -0.523 1
1 1057 . 4 1 1 A 93 93 GLY C C 93 171.695 173.647 -1.952 1
1 1058 . 4 1 1 A 93 93 GLY HA2 H 93 4.116 3.439 0.677 1
1 1059 . 4 1 1 A 94 94 SER N N 94 112.948 116.900 -3.952 1
1 1060 . 4 1 1 A 94 94 SER H H 94 7.612 7.442 0.170 1
1 1061 . 4 1 1 A 94 94 SER CA C 94 54.585 55.272 -0.687 1
1 1062 . 4 1 1 A 94 94 SER HA H 94 4.002 4.550 -0.548 1
1 1063 . 4 1 1 A 94 94 SER CB C 94 62.348 64.608 -2.260 1
1 1065 . 4 1 1 A 94 94 SER C C 94 174.321 172.662 1.659 1
1 1067 . 4 1 1 A 95 95 PRO CA C 95 62.338 62.859 -0.521 1
1 1068 . 4 1 1 A 95 95 PRO HA H 95 5.296 4.799 0.497 1
1 1069 . 4 1 1 A 95 95 PRO CB C 95 33.730 32.593 1.137 1
1 1075 . 4 1 1 A 95 95 PRO C C 95 175.728 176.973 -1.245 1
1 1079 . 4 1 1 A 96 96 PHE N N 96 124.415 121.278 3.137 1
1 1080 . 4 1 1 A 96 96 PHE H H 96 9.643 8.444 1.199 1
1 1081 . 4 1 1 A 96 96 PHE CA C 96 57.405 57.861 -0.456 1
1 1082 . 4 1 1 A 96 96 PHE HA H 96 4.474 4.928 -0.454 1
1 1083 . 4 1 1 A 96 96 PHE CB C 96 40.160 40.087 0.073 1
1 1095 . 4 1 1 A 96 96 PHE C C 96 175.736 175.588 0.148 1
1 1097 . 4 1 1 A 97 97 HIS N N 97 121.364 121.384 -0.020 1
1 1098 . 4 1 1 A 97 97 HIS H H 97 8.898 8.972 -0.074 1
1 1099 . 4 1 1 A 97 97 HIS CA C 97 55.214 54.312 0.902 1
1 1100 . 4 1 1 A 97 97 HIS HA H 97 5.124 5.299 -0.175 1
1 1101 . 4 1 1 A 97 97 HIS CB C 97 29.981 31.737 -1.756 1
1 1107 . 4 1 1 A 97 97 HIS C C 97 173.895 173.585 0.310 1
1 1109 . 4 1 1 A 98 98 VAL N N 98 127.912 128.814 -0.902 1
1 1110 . 4 1 1 A 98 98 VAL H H 98 8.582 8.721 -0.139 1
1 1111 . 4 1 1 A 98 98 VAL CA C 98 61.467 61.170 0.297 1
1 1112 . 4 1 1 A 98 98 VAL HA H 98 4.096 4.699 -0.603 1
1 1113 . 4 1 1 A 98 98 VAL CB C 98 35.455 32.862 2.593 1
1 1123 . 4 1 1 A 98 98 VAL C C 98 174.874 174.608 0.266 1
1 1124 . 4 1 1 A 99 99 THR N N 99 123.090 123.007 0.083 1
1 1125 . 4 1 1 A 99 99 THR H H 99 8.117 8.744 -0.627 1
1 1126 . 4 1 1 A 99 99 THR CA C 99 62.031 61.779 0.252 1
1 1127 . 4 1 1 A 99 99 THR HA H 99 4.852 4.810 0.042 1
1 1128 . 4 1 1 A 99 99 THR CB C 99 70.661 70.078 0.583 1
1 1134 . 4 1 1 A 99 99 THR C C 99 173.264 173.896 -0.632 1
1 1135 . 4 1 1 A 100 100 VAL N N 100 129.827 126.369 3.458 1
1 1136 . 4 1 1 A 100 100 VAL H H 100 8.812 9.134 -0.322 1
1 1137 . 4 1 1 A 100 100 VAL CA C 100 58.577 58.529 0.048 1
1 1138 . 4 1 1 A 100 100 VAL HA H 100 5.053 4.563 0.490 1
1 1139 . 4 1 1 A 100 100 VAL CB C 100 33.365 34.308 -0.943 1
1 1149 . 4 1 1 A 100 100 VAL C C 100 174.927 174.106 0.821 1
1 1 . 5 1 1 A 6 6 SER CA C 6 58.666 59.724 -1.058 1
1 2 . 5 1 1 A 6 6 SER HA H 6 4.514 4.509 0.005 1
1 3 . 5 1 1 A 6 6 SER CB C 6 63.933 63.791 0.142 1
1 5 . 5 1 1 A 6 6 SER C C 6 175.074 174.527 0.547 1
1 7 . 5 1 1 A 7 7 GLY N N 7 110.792 111.111 -0.319 1
1 8 . 5 1 1 A 7 7 GLY H H 7 8.450 8.606 -0.156 1
1 9 . 5 1 1 A 7 7 GLY CA C 7 45.406 44.811 0.595 1
1 10 . 5 1 1 A 7 7 GLY HA3 H 7 4.052 4.200 -0.148 1
1 11 . 5 1 1 A 7 7 GLY C C 7 174.270 172.707 1.563 1
1 12 . 5 1 1 A 7 7 GLY HA2 H 7 4.052 4.195 -0.143 1
1 13 . 5 1 1 A 8 8 SER N N 8 115.558 117.115 -1.557 1
1 14 . 5 1 1 A 8 8 SER H H 8 8.274 8.536 -0.262 1
1 15 . 5 1 1 A 8 8 SER CA C 8 58.332 57.617 0.715 1
1 16 . 5 1 1 A 8 8 SER HA H 8 4.557 5.059 -0.502 1
1 17 . 5 1 1 A 8 8 SER CB C 8 63.930 62.621 1.309 1
1 19 . 5 1 1 A 8 8 SER C C 8 174.064 173.462 0.602 1
1 21 . 5 1 1 A 9 9 SER N N 9 116.801 123.436 -6.635 1
1 22 . 5 1 1 A 9 9 SER H H 9 8.227 8.637 -0.410 1
1 23 . 5 1 1 A 9 9 SER CA C 9 58.075 59.010 -0.935 1
1 24 . 5 1 1 A 9 9 SER HA H 9 5.001 4.919 0.082 1
1 25 . 5 1 1 A 9 9 SER CB C 9 64.491 63.551 0.940 1
1 27 . 5 1 1 A 9 9 SER C C 9 174.318 174.041 0.277 1
1 29 . 5 1 1 A 10 10 ASP N N 10 122.324 127.939 -5.615 1
1 30 . 5 1 1 A 10 10 ASP H H 10 8.262 9.038 -0.776 1
1 31 . 5 1 1 A 10 10 ASP CA C 10 53.833 53.201 0.632 1
1 32 . 5 1 1 A 10 10 ASP HA H 10 4.892 5.085 -0.193 1
1 33 . 5 1 1 A 10 10 ASP CB C 10 41.497 42.969 -1.472 1
1 35 . 5 1 1 A 10 10 ASP C C 10 176.306 175.890 0.416 1
1 37 . 5 1 1 A 11 11 ALA N N 11 126.255 125.006 1.249 1
1 38 . 5 1 1 A 11 11 ALA H H 11 9.091 8.497 0.594 1
1 39 . 5 1 1 A 11 11 ALA CA C 11 54.713 54.458 0.255 1
1 40 . 5 1 1 A 11 11 ALA HA H 11 4.056 4.249 -0.193 1
1 41 . 5 1 1 A 11 11 ALA CB C 11 20.177 19.342 0.835 1
1 45 . 5 1 1 A 11 11 ALA C C 11 177.950 179.010 -1.060 1
1 46 . 5 1 1 A 12 12 SER N N 12 110.658 113.653 -2.995 1
1 47 . 5 1 1 A 12 12 SER H H 12 8.224 8.108 0.116 1
1 48 . 5 1 1 A 12 12 SER CA C 12 60.857 61.026 -0.169 1
1 49 . 5 1 1 A 12 12 SER HA H 12 4.240 4.199 0.041 1
1 50 . 5 1 1 A 12 12 SER CB C 12 62.964 63.054 -0.090 1
1 52 . 5 1 1 A 12 12 SER C C 12 175.312 176.303 -0.991 1
1 54 . 5 1 1 A 13 13 LYS N N 13 119.063 118.209 0.854 1
1 55 . 5 1 1 A 13 13 LYS H H 13 7.349 7.730 -0.381 1
1 56 . 5 1 1 A 13 13 LYS CA C 13 54.948 57.994 -3.046 1
1 57 . 5 1 1 A 13 13 LYS HA H 13 4.293 4.365 -0.072 1
1 58 . 5 1 1 A 13 13 LYS CB C 13 33.037 32.776 0.261 1
1 66 . 5 1 1 A 13 13 LYS C C 13 177.263 177.589 -0.326 1
1 71 . 5 1 1 A 14 14 VAL N N 14 124.317 120.110 4.207 1
1 72 . 5 1 1 A 14 14 VAL H H 14 7.500 7.350 0.150 1
1 73 . 5 1 1 A 14 14 VAL CA C 14 63.797 63.282 0.515 1
1 74 . 5 1 1 A 14 14 VAL HA H 14 3.870 3.746 0.124 1
1 75 . 5 1 1 A 14 14 VAL CB C 14 31.996 31.474 0.522 1
1 85 . 5 1 1 A 14 14 VAL C C 14 175.873 175.299 0.574 1
1 86 . 5 1 1 A 15 15 THR N N 15 117.704 118.867 -1.163 1
1 87 . 5 1 1 A 15 15 THR H H 15 8.197 8.655 -0.458 1
1 88 . 5 1 1 A 15 15 THR CA C 15 59.805 59.624 0.181 1
1 89 . 5 1 1 A 15 15 THR HA H 15 4.911 5.366 -0.455 1
1 90 . 5 1 1 A 15 15 THR CB C 15 71.373 71.841 -0.468 1
1 96 . 5 1 1 A 15 15 THR C C 15 172.695 173.980 -1.285 1
1 97 . 5 1 1 A 16 16 SER N N 16 113.256 117.899 -4.643 1
1 98 . 5 1 1 A 16 16 SER H H 16 8.442 9.111 -0.669 1
1 99 . 5 1 1 A 16 16 SER CA C 16 57.155 56.396 0.759 1
1 100 . 5 1 1 A 16 16 SER HA H 16 5.564 5.535 0.029 1
1 101 . 5 1 1 A 16 16 SER CB C 16 66.124 65.606 0.518 1
1 103 . 5 1 1 A 16 16 SER C C 16 173.455 173.504 -0.049 1
1 105 . 5 1 1 A 17 17 LYS N N 17 117.543 119.863 -2.320 1
1 106 . 5 1 1 A 17 17 LYS H H 17 8.870 8.867 0.003 1
1 107 . 5 1 1 A 17 17 LYS CA C 17 56.063 54.451 1.612 1
1 108 . 5 1 1 A 17 17 LYS HA H 17 4.673 5.070 -0.397 1
1 109 . 5 1 1 A 17 17 LYS CB C 17 35.602 36.227 -0.625 1
1 117 . 5 1 1 A 17 17 LYS C C 17 174.625 174.965 -0.340 1
1 122 . 5 1 1 A 18 18 GLY N N 18 110.702 107.387 3.315 1
1 123 . 5 1 1 A 18 18 GLY H H 18 8.746 8.434 0.312 1
1 124 . 5 1 1 A 18 18 GLY CA C 18 44.501 44.487 0.014 1
1 125 . 5 1 1 A 18 18 GLY HA3 H 18 3.998 4.212 -0.214 1
1 126 . 5 1 1 A 18 18 GLY C C 18 175.460 173.876 1.584 1
1 127 . 5 1 1 A 18 18 GLY HA2 H 18 4.947 4.186 0.761 1
1 128 . 5 1 1 A 19 19 ALA CA C 19 55.387 53.107 2.280 1
1 129 . 5 1 1 A 19 19 ALA HA H 19 4.229 4.481 -0.252 1
1 130 . 5 1 1 A 19 19 ALA CB C 19 18.689 20.919 -2.230 1
1 134 . 5 1 1 A 19 19 ALA C C 19 179.606 178.594 1.012 1
1 135 . 5 1 1 A 20 20 GLY N N 20 101.587 107.285 -5.698 1
1 136 . 5 1 1 A 20 20 GLY H H 20 8.466 8.267 0.199 1
1 137 . 5 1 1 A 20 20 GLY CA C 20 46.078 47.186 -1.108 1
1 138 . 5 1 1 A 20 20 GLY HA3 H 20 3.596 3.893 -0.297 1
1 139 . 5 1 1 A 20 20 GLY C C 20 173.214 176.223 -3.009 1
1 140 . 5 1 1 A 20 20 GLY HA2 H 20 4.689 3.873 0.816 1
1 141 . 5 1 1 A 21 21 LEU N N 21 115.987 122.991 -7.004 1
1 142 . 5 1 1 A 21 21 LEU H H 21 6.928 7.951 -1.023 1
1 143 . 5 1 1 A 21 21 LEU CA C 21 55.567 57.221 -1.654 1
1 144 . 5 1 1 A 21 21 LEU HA H 21 3.404 3.793 -0.389 1
1 145 . 5 1 1 A 21 21 LEU CB C 21 41.702 41.159 0.543 1
1 157 . 5 1 1 A 21 21 LEU C C 21 175.989 179.412 -3.423 1
1 159 . 5 1 1 A 22 22 SER N N 22 106.483 113.574 -7.091 1
1 160 . 5 1 1 A 22 22 SER H H 22 7.808 7.752 0.056 1
1 161 . 5 1 1 A 22 22 SER CA C 22 58.956 61.136 -2.180 1
1 162 . 5 1 1 A 22 22 SER HA H 22 4.901 4.444 0.457 1
1 163 . 5 1 1 A 22 22 SER CB C 22 66.238 63.698 2.540 1
1 165 . 5 1 1 A 22 22 SER C C 22 174.051 174.123 -0.072 1
1 167 . 5 1 1 A 23 23 LYS N N 23 124.757 114.994 9.763 1
1 168 . 5 1 1 A 23 23 LYS H H 23 8.399 7.986 0.413 1
1 169 . 5 1 1 A 23 23 LYS CA C 23 55.676 54.957 0.719 1
1 170 . 5 1 1 A 23 23 LYS HA H 23 4.973 4.694 0.279 1
1 171 . 5 1 1 A 23 23 LYS CB C 23 36.338 35.575 0.763 1
1 179 . 5 1 1 A 23 23 LYS C C 23 173.136 174.130 -0.994 1
1 184 . 5 1 1 A 24 24 ALA N N 24 123.565 121.545 2.020 1
1 185 . 5 1 1 A 24 24 ALA H H 24 7.541 8.447 -0.906 1
1 186 . 5 1 1 A 24 24 ALA CA C 24 51.148 50.839 0.309 1
1 187 . 5 1 1 A 24 24 ALA HA H 24 4.256 5.370 -1.114 1
1 188 . 5 1 1 A 24 24 ALA CB C 24 22.019 24.124 -2.105 1
1 192 . 5 1 1 A 24 24 ALA C C 24 173.515 175.674 -2.159 1
1 193 . 5 1 1 A 25 25 PHE N N 25 114.269 115.723 -1.454 1
1 194 . 5 1 1 A 25 25 PHE H H 25 7.858 8.928 -1.070 1
1 195 . 5 1 1 A 25 25 PHE CA C 25 55.809 56.441 -0.632 1
1 196 . 5 1 1 A 25 25 PHE HA H 25 5.191 4.976 0.215 1
1 197 . 5 1 1 A 25 25 PHE CB C 25 41.943 42.517 -0.574 1
1 209 . 5 1 1 A 25 25 PHE C C 25 177.046 175.377 1.669 1
1 211 . 5 1 1 A 26 26 VAL N N 26 123.270 123.151 0.119 1
1 212 . 5 1 1 A 26 26 VAL H H 26 9.338 8.675 0.663 1
1 213 . 5 1 1 A 26 26 VAL CA C 26 65.054 65.272 -0.218 1
1 214 . 5 1 1 A 26 26 VAL HA H 26 3.441 3.549 -0.108 1
1 215 . 5 1 1 A 26 26 VAL CB C 26 31.757 31.491 0.266 1
1 225 . 5 1 1 A 26 26 VAL C C 26 178.201 177.295 0.906 1
1 226 . 5 1 1 A 27 27 GLY N N 27 112.668 114.898 -2.230 1
1 227 . 5 1 1 A 27 27 GLY H H 27 8.862 8.731 0.131 1
1 228 . 5 1 1 A 27 27 GLY CA C 27 45.857 45.248 0.609 1
1 229 . 5 1 1 A 27 27 GLY HA3 H 27 4.229 4.025 0.204 1
1 230 . 5 1 1 A 27 27 GLY C C 27 173.411 174.073 -0.662 1
1 231 . 5 1 1 A 27 27 GLY HA2 H 27 3.631 4.023 -0.392 1
1 232 . 5 1 1 A 28 28 GLN N N 28 118.568 120.712 -2.144 1
1 233 . 5 1 1 A 28 28 GLN H H 28 7.755 7.912 -0.157 1
1 234 . 5 1 1 A 28 28 GLN CA C 28 53.825 55.967 -2.142 1
1 235 . 5 1 1 A 28 28 GLN HA H 28 4.690 4.390 0.300 1
1 236 . 5 1 1 A 28 28 GLN CB C 28 30.975 30.032 0.943 1
1 243 . 5 1 1 A 28 28 GLN C C 28 175.517 175.179 0.338 1
1 246 . 5 1 1 A 29 29 LYS N N 29 123.598 124.008 -0.410 1
1 247 . 5 1 1 A 29 29 LYS H H 29 8.839 8.634 0.205 1
1 248 . 5 1 1 A 29 29 LYS CA C 29 57.587 55.979 1.608 1
1 249 . 5 1 1 A 29 29 LYS HA H 29 4.158 4.645 -0.487 1
1 250 . 5 1 1 A 29 29 LYS CB C 29 32.381 33.320 -0.939 1
1 258 . 5 1 1 A 29 29 LYS C C 29 176.190 175.273 0.917 1
1 263 . 5 1 1 A 30 30 SER N N 30 124.030 124.885 -0.855 1
1 264 . 5 1 1 A 30 30 SER H H 30 8.694 8.235 0.459 1
1 265 . 5 1 1 A 30 30 SER CA C 30 57.560 57.833 -0.273 1
1 266 . 5 1 1 A 30 30 SER HA H 30 4.758 5.216 -0.458 1
1 267 . 5 1 1 A 30 30 SER CB C 30 64.143 64.444 -0.301 1
1 269 . 5 1 1 A 30 30 SER C C 30 173.413 173.469 -0.056 1
1 271 . 5 1 1 A 31 31 SER N N 31 116.828 119.068 -2.240 1
1 272 . 5 1 1 A 31 31 SER H H 31 8.894 8.821 0.073 1
1 273 . 5 1 1 A 31 31 SER CA C 31 57.132 55.577 1.555 1
1 274 . 5 1 1 A 31 31 SER HA H 31 6.181 5.316 0.865 1
1 275 . 5 1 1 A 31 31 SER CB C 31 67.745 66.543 1.202 1
1 277 . 5 1 1 A 31 31 SER C C 31 174.171 173.632 0.539 1
1 279 . 5 1 1 A 32 32 PHE N N 32 117.724 116.809 0.915 1
1 280 . 5 1 1 A 32 32 PHE H H 32 8.853 8.499 0.354 1
1 281 . 5 1 1 A 32 32 PHE CA C 32 57.190 55.795 1.395 1
1 282 . 5 1 1 A 32 32 PHE HA H 32 5.016 5.280 -0.264 1
1 283 . 5 1 1 A 32 32 PHE CB C 32 40.712 42.214 -1.502 1
1 295 . 5 1 1 A 32 32 PHE C C 32 170.765 172.198 -1.433 1
1 297 . 5 1 1 A 33 33 LEU N N 33 121.533 124.484 -2.951 1
1 298 . 5 1 1 A 33 33 LEU H H 33 9.223 8.815 0.408 1
1 299 . 5 1 1 A 33 33 LEU CA C 33 53.636 53.647 -0.011 1
1 300 . 5 1 1 A 33 33 LEU HA H 33 5.531 5.026 0.505 1
1 301 . 5 1 1 A 33 33 LEU CB C 33 46.278 45.056 1.222 1
1 313 . 5 1 1 A 33 33 LEU C C 33 176.559 174.427 2.132 1
1 315 . 5 1 1 A 34 34 VAL N N 34 123.140 126.641 -3.501 1
1 316 . 5 1 1 A 34 34 VAL H H 34 9.257 8.745 0.512 1
1 317 . 5 1 1 A 34 34 VAL CA C 34 61.182 61.270 -0.088 1
1 318 . 5 1 1 A 34 34 VAL HA H 34 4.785 4.909 -0.124 1
1 319 . 5 1 1 A 34 34 VAL CB C 34 34.589 34.191 0.398 1
1 329 . 5 1 1 A 34 34 VAL C C 34 174.370 174.562 -0.192 1
1 330 . 5 1 1 A 35 35 ASP N N 35 126.353 127.826 -1.473 1
1 331 . 5 1 1 A 35 35 ASP H H 35 9.312 9.058 0.254 1
1 332 . 5 1 1 A 35 35 ASP CA C 35 53.298 54.410 -1.112 1
1 333 . 5 1 1 A 35 35 ASP HA H 35 5.229 5.038 0.191 1
1 334 . 5 1 1 A 35 35 ASP CB C 35 41.538 41.541 -0.003 1
1 336 . 5 1 1 A 35 35 ASP C C 35 176.980 177.104 -0.124 1
1 338 . 5 1 1 A 36 36 CYS N N 36 125.342 120.833 4.509 1
1 339 . 5 1 1 A 36 36 CYS H H 36 9.275 8.474 0.801 1
1 340 . 5 1 1 A 36 36 CYS CA C 36 57.367 57.559 -0.192 1
1 341 . 5 1 1 A 36 36 CYS HA H 36 4.374 4.667 -0.293 1
1 342 . 5 1 1 A 36 36 CYS CB C 36 28.369 27.256 1.113 1
1 344 . 5 1 1 A 36 36 CYS C C 36 177.015 175.716 1.299 1
1 346 . 5 1 1 A 37 37 SER N N 37 119.973 117.446 2.527 1
1 347 . 5 1 1 A 37 37 SER H H 37 9.039 8.050 0.989 1
1 348 . 5 1 1 A 37 37 SER CA C 37 62.787 61.605 1.182 1
1 349 . 5 1 1 A 37 37 SER HA H 37 3.932 4.091 -0.159 1
1 350 . 5 1 1 A 37 37 SER CB C 37 62.982 63.127 -0.145 1
1 352 . 5 1 1 A 37 37 SER C C 37 176.290 176.370 -0.080 1
1 354 . 5 1 1 A 38 38 LYS N N 38 120.815 120.078 0.737 1
1 355 . 5 1 1 A 38 38 LYS H H 38 8.676 8.126 0.550 1
1 356 . 5 1 1 A 38 38 LYS CA C 38 55.123 55.799 -0.676 1
1 357 . 5 1 1 A 38 38 LYS HA H 38 4.730 4.553 0.177 1
1 358 . 5 1 1 A 38 38 LYS CB C 38 32.250 32.550 -0.300 1
1 366 . 5 1 1 A 38 38 LYS C C 38 176.385 176.869 -0.484 1
1 371 . 5 1 1 A 39 39 ALA N N 39 121.594 121.996 -0.402 1
1 372 . 5 1 1 A 39 39 ALA H H 39 7.322 7.931 -0.609 1
1 373 . 5 1 1 A 39 39 ALA CA C 39 52.127 53.588 -1.461 1
1 374 . 5 1 1 A 39 39 ALA HA H 39 4.436 4.203 0.233 1
1 375 . 5 1 1 A 39 39 ALA CB C 39 21.347 19.659 1.688 1
1 379 . 5 1 1 A 39 39 ALA C C 39 177.453 177.411 0.042 1
1 380 . 5 1 1 A 40 40 GLY N N 40 111.873 102.504 9.369 1
1 381 . 5 1 1 A 40 40 GLY H H 40 8.755 7.495 1.260 1
1 382 . 5 1 1 A 40 40 GLY CA C 40 45.619 45.962 -0.343 1
1 383 . 5 1 1 A 40 40 GLY HA3 H 40 4.329 4.340 -0.011 1
1 384 . 5 1 1 A 40 40 GLY C C 40 173.801 173.455 0.346 1
1 385 . 5 1 1 A 40 40 GLY HA2 H 40 3.754 4.211 -0.457 1
1 386 . 5 1 1 A 41 41 SER N N 41 117.149 117.118 0.031 1
1 387 . 5 1 1 A 41 41 SER H H 41 8.524 8.055 0.469 1
1 388 . 5 1 1 A 41 41 SER CA C 41 56.849 57.913 -1.064 1
1 389 . 5 1 1 A 41 41 SER HA H 41 5.010 4.794 0.216 1
1 390 . 5 1 1 A 41 41 SER CB C 41 63.917 63.511 0.406 1
1 392 . 5 1 1 A 41 41 SER C C 41 172.603 173.725 -1.122 1
1 394 . 5 1 1 A 42 42 ASN N N 42 125.590 120.898 4.692 1
1 395 . 5 1 1 A 42 42 ASN H H 42 7.155 7.797 -0.642 1
1 396 . 5 1 1 A 42 42 ASN CA C 42 50.805 51.885 -1.080 1
1 397 . 5 1 1 A 42 42 ASN HA H 42 3.256 4.498 -1.242 1
1 398 . 5 1 1 A 42 42 ASN CB C 42 39.354 39.329 0.025 1
1 403 . 5 1 1 A 42 42 ASN C C 42 170.908 174.567 -3.659 1
1 405 . 5 1 1 A 43 43 MET N N 43 115.129 119.956 -4.827 1
1 406 . 5 1 1 A 43 43 MET H H 43 8.366 8.065 0.301 1
1 407 . 5 1 1 A 43 43 MET CA C 43 53.424 53.155 0.269 1
1 408 . 5 1 1 A 43 43 MET HA H 43 4.102 5.221 -1.119 1
1 409 . 5 1 1 A 43 43 MET CB C 43 35.572 34.629 0.943 1
1 417 . 5 1 1 A 43 43 MET C C 43 173.140 174.313 -1.173 1
1 420 . 5 1 1 A 44 44 LEU N N 44 128.038 125.492 2.546 1
1 421 . 5 1 1 A 44 44 LEU H H 44 8.300 8.467 -0.167 1
1 422 . 5 1 1 A 44 44 LEU CA C 44 53.806 53.866 -0.060 1
1 423 . 5 1 1 A 44 44 LEU HA H 44 5.331 5.065 0.266 1
1 424 . 5 1 1 A 44 44 LEU CB C 44 43.598 44.288 -0.690 1
1 436 . 5 1 1 A 44 44 LEU C C 44 175.236 175.641 -0.405 1
1 438 . 5 1 1 A 45 45 LEU N N 45 126.999 121.796 5.203 1
1 439 . 5 1 1 A 45 45 LEU H H 45 9.109 8.628 0.481 1
1 440 . 5 1 1 A 45 45 LEU CA C 45 54.800 53.248 1.552 1
1 441 . 5 1 1 A 45 45 LEU HA H 45 5.135 5.114 0.021 1
1 442 . 5 1 1 A 45 45 LEU CB C 45 45.499 45.950 -0.451 1
1 454 . 5 1 1 A 45 45 LEU C C 45 175.167 175.127 0.040 1
1 456 . 5 1 1 A 46 46 ILE N N 46 118.172 119.965 -1.793 1
1 457 . 5 1 1 A 46 46 ILE H H 46 7.966 8.828 -0.862 1
1 458 . 5 1 1 A 46 46 ILE CA C 46 58.091 59.568 -1.477 1
1 459 . 5 1 1 A 46 46 ILE HA H 46 5.412 5.107 0.305 1
1 460 . 5 1 1 A 46 46 ILE CB C 46 41.988 41.435 0.553 1
1 472 . 5 1 1 A 46 46 ILE C C 46 174.748 175.682 -0.934 1
1 474 . 5 1 1 A 47 47 GLY N N 47 110.148 115.474 -5.326 1
1 475 . 5 1 1 A 47 47 GLY H H 47 8.554 9.109 -0.555 1
1 476 . 5 1 1 A 47 47 GLY CA C 47 46.136 46.190 -0.054 1
1 477 . 5 1 1 A 47 47 GLY HA3 H 47 4.604 4.174 0.430 1
1 478 . 5 1 1 A 47 47 GLY C C 47 171.583 173.127 -1.544 1
1 479 . 5 1 1 A 47 47 GLY HA2 H 47 3.933 4.173 -0.240 1
1 480 . 5 1 1 A 48 48 VAL N N 48 120.434 118.135 2.299 1
1 481 . 5 1 1 A 48 48 VAL H H 48 9.048 7.650 1.398 1
1 482 . 5 1 1 A 48 48 VAL CA C 48 61.060 62.234 -1.174 1
1 483 . 5 1 1 A 48 48 VAL HA H 48 5.143 4.141 1.002 1
1 484 . 5 1 1 A 48 48 VAL CB C 48 34.976 32.215 2.761 1
1 494 . 5 1 1 A 48 48 VAL C C 48 175.260 175.851 -0.591 1
1 495 . 5 1 1 A 49 49 HIS N N 49 127.718 120.775 6.943 1
1 496 . 5 1 1 A 49 49 HIS H H 49 9.556 8.925 0.631 1
1 497 . 5 1 1 A 49 49 HIS CA C 49 55.342 55.291 0.051 1
1 498 . 5 1 1 A 49 49 HIS HA H 49 4.987 4.770 0.217 1
1 499 . 5 1 1 A 49 49 HIS CB C 49 34.476 30.694 3.782 1
1 505 . 5 1 1 A 49 49 HIS C C 49 173.822 175.407 -1.585 1
1 507 . 5 1 1 A 50 50 GLY N N 50 115.577 106.423 9.154 1
1 508 . 5 1 1 A 50 50 GLY H H 50 8.192 8.532 -0.340 1
1 509 . 5 1 1 A 50 50 GLY CA C 50 44.693 45.710 -1.017 1
1 510 . 5 1 1 A 50 50 GLY HA3 H 50 3.247 4.203 -0.956 1
1 511 . 5 1 1 A 50 50 GLY C C 50 171.437 173.380 -1.943 1
1 512 . 5 1 1 A 50 50 GLY HA2 H 50 3.722 4.127 -0.405 1
1 513 . 5 1 1 A 51 51 PRO CA C 51 64.376 65.141 -0.765 1
1 514 . 5 1 1 A 51 51 PRO HA H 51 4.104 4.327 -0.223 1
1 515 . 5 1 1 A 51 51 PRO CB C 51 32.141 31.899 0.242 1
1 521 . 5 1 1 A 51 51 PRO C C 51 177.607 177.743 -0.136 1
1 525 . 5 1 1 A 52 52 THR N N 52 109.088 108.696 0.392 1
1 526 . 5 1 1 A 52 52 THR H H 52 8.447 7.884 0.563 1
1 527 . 5 1 1 A 52 52 THR CA C 52 62.861 62.082 0.779 1
1 528 . 5 1 1 A 52 52 THR HA H 52 4.424 4.570 -0.146 1
1 529 . 5 1 1 A 52 52 THR CB C 52 70.329 70.338 -0.009 1
1 535 . 5 1 1 A 52 52 THR C C 52 174.926 174.513 0.413 1
1 536 . 5 1 1 A 53 53 THR N N 53 118.915 115.111 3.804 1
1 537 . 5 1 1 A 53 53 THR H H 53 7.983 7.975 0.008 1
1 538 . 5 1 1 A 53 53 THR CA C 53 59.878 58.961 0.917 1
1 539 . 5 1 1 A 53 53 THR HA H 53 4.751 4.758 -0.007 1
1 540 . 5 1 1 A 53 53 THR CB C 53 71.034 70.100 0.934 1
1 546 . 5 1 1 A 53 53 THR C C 53 172.019 171.967 0.052 1
1 547 . 5 1 1 A 54 54 PRO CA C 54 62.614 62.130 0.484 1
1 548 . 5 1 1 A 54 54 PRO HA H 54 4.629 4.320 0.309 1
1 549 . 5 1 1 A 54 54 PRO CB C 54 32.845 32.602 0.243 1
1 555 . 5 1 1 A 54 54 PRO C C 54 177.751 176.281 1.470 1
1 559 . 5 1 1 A 55 55 CYS N N 55 121.538 120.435 1.103 1
1 560 . 5 1 1 A 55 55 CYS H H 55 8.938 8.525 0.413 1
1 561 . 5 1 1 A 55 55 CYS CA C 55 60.342 60.225 0.117 1
1 562 . 5 1 1 A 55 55 CYS HA H 55 4.563 4.534 0.029 1
1 563 . 5 1 1 A 55 55 CYS CB C 55 27.534 27.918 -0.384 1
1 565 . 5 1 1 A 55 55 CYS C C 55 174.437 175.958 -1.521 1
1 567 . 5 1 1 A 56 56 GLU N N 56 124.530 123.904 0.626 1
1 568 . 5 1 1 A 56 56 GLU H H 56 8.450 9.019 -0.569 1
1 569 . 5 1 1 A 56 56 GLU CA C 56 59.363 59.086 0.277 1
1 570 . 5 1 1 A 56 56 GLU HA H 56 4.471 4.166 0.305 1
1 571 . 5 1 1 A 56 56 GLU CB C 56 31.217 30.590 0.627 1
1 575 . 5 1 1 A 56 56 GLU C C 56 176.847 176.604 0.243 1
1 578 . 5 1 1 A 57 57 GLU N N 57 114.661 114.351 0.310 1
1 579 . 5 1 1 A 57 57 GLU H H 57 7.478 7.780 -0.302 1
1 580 . 5 1 1 A 57 57 GLU CA C 57 55.551 55.504 0.047 1
1 581 . 5 1 1 A 57 57 GLU HA H 57 5.414 4.689 0.725 1
1 582 . 5 1 1 A 57 57 GLU CB C 57 34.084 31.698 2.386 1
1 586 . 5 1 1 A 57 57 GLU C C 57 174.400 173.879 0.521 1
1 589 . 5 1 1 A 58 58 VAL N N 58 123.611 119.893 3.718 1
1 590 . 5 1 1 A 58 58 VAL H H 58 8.605 8.450 0.155 1
1 591 . 5 1 1 A 58 58 VAL CA C 58 62.048 61.736 0.312 1
1 592 . 5 1 1 A 58 58 VAL HA H 58 4.941 4.883 0.058 1
1 593 . 5 1 1 A 58 58 VAL CB C 58 35.700 34.490 1.210 1
1 603 . 5 1 1 A 58 58 VAL C C 58 174.426 174.372 0.054 1
1 604 . 5 1 1 A 59 59 SER N N 59 121.592 123.460 -1.868 1
1 605 . 5 1 1 A 59 59 SER H H 59 9.635 9.177 0.458 1
1 606 . 5 1 1 A 59 59 SER CA C 59 57.012 56.751 0.261 1
1 607 . 5 1 1 A 59 59 SER HA H 59 5.526 4.854 0.672 1
1 608 . 5 1 1 A 59 59 SER CB C 59 65.896 64.056 1.840 1
1 610 . 5 1 1 A 59 59 SER C C 59 172.465 173.208 -0.743 1
1 612 . 5 1 1 A 60 60 MET N N 60 122.508 127.666 -5.158 1
1 613 . 5 1 1 A 60 60 MET H H 60 9.435 9.114 0.321 1
1 614 . 5 1 1 A 60 60 MET CA C 60 54.541 53.460 1.081 1
1 615 . 5 1 1 A 60 60 MET HA H 60 5.352 5.593 -0.241 1
1 616 . 5 1 1 A 60 60 MET CB C 60 37.420 34.095 3.325 1
1 624 . 5 1 1 A 60 60 MET C C 60 174.616 175.922 -1.306 1
1 627 . 5 1 1 A 61 61 LYS N N 61 125.580 123.394 2.186 1
1 628 . 5 1 1 A 61 61 LYS H H 61 8.963 9.254 -0.291 1
1 629 . 5 1 1 A 61 61 LYS CA C 61 54.688 54.937 -0.249 1
1 630 . 5 1 1 A 61 61 LYS HA H 61 5.396 4.975 0.421 1
1 631 . 5 1 1 A 61 61 LYS CB C 61 36.412 37.076 -0.664 1
1 639 . 5 1 1 A 61 61 LYS C C 61 175.548 174.827 0.721 1
1 644 . 5 1 1 A 62 62 HIS N N 62 125.822 122.123 3.699 1
1 645 . 5 1 1 A 62 62 HIS H H 62 8.967 8.884 0.083 1
1 646 . 5 1 1 A 62 62 HIS CA C 62 55.674 53.969 1.705 1
1 647 . 5 1 1 A 62 62 HIS HA H 62 4.621 4.790 -0.169 1
1 648 . 5 1 1 A 62 62 HIS CB C 62 29.732 29.694 0.038 1
1 654 . 5 1 1 A 62 62 HIS C C 62 175.912 174.981 0.931 1
1 656 . 5 1 1 A 63 63 VAL N N 63 124.131 123.714 0.417 1
1 657 . 5 1 1 A 63 63 VAL H H 63 8.633 8.240 0.393 1
1 658 . 5 1 1 A 63 63 VAL CA C 63 61.288 64.328 -3.040 1
1 659 . 5 1 1 A 63 63 VAL HA H 63 4.299 3.683 0.616 1
1 660 . 5 1 1 A 63 63 VAL CB C 63 30.964 32.361 -1.397 1
1 670 . 5 1 1 A 63 63 VAL C C 63 175.339 175.372 -0.033 1
1 671 . 5 1 1 A 64 64 GLY N N 64 108.087 110.391 -2.304 1
1 672 . 5 1 1 A 64 64 GLY H H 64 5.406 6.940 -1.534 1
1 673 . 5 1 1 A 64 64 GLY CA C 64 44.979 43.315 1.664 1
1 674 . 5 1 1 A 64 64 GLY HA3 H 64 3.118 3.755 -0.637 1
1 675 . 5 1 1 A 64 64 GLY C C 64 174.125 173.737 0.388 1
1 676 . 5 1 1 A 64 64 GLY HA2 H 64 4.287 3.116 1.171 1
1 677 . 5 1 1 A 65 65 ASN N N 65 118.292 117.807 0.485 1
1 678 . 5 1 1 A 65 65 ASN H H 65 9.260 9.322 -0.062 1
1 679 . 5 1 1 A 65 65 ASN CA C 65 54.643 54.540 0.103 1
1 680 . 5 1 1 A 65 65 ASN HA H 65 4.401 4.418 -0.017 1
1 681 . 5 1 1 A 65 65 ASN CB C 65 37.695 36.933 0.762 1
1 686 . 5 1 1 A 65 65 ASN C C 65 174.079 174.688 -0.609 1
1 688 . 5 1 1 A 66 66 GLN N N 66 111.325 108.983 2.342 1
1 689 . 5 1 1 A 66 66 GLN H H 66 10.512 8.613 1.899 1
1 690 . 5 1 1 A 66 66 GLN CA C 66 57.009 57.407 -0.398 1
1 691 . 5 1 1 A 66 66 GLN HA H 66 3.713 3.926 -0.213 1
1 692 . 5 1 1 A 66 66 GLN CB C 66 24.986 26.760 -1.774 1
1 699 . 5 1 1 A 66 66 GLN C C 66 173.896 174.395 -0.499 1
1 702 . 5 1 1 A 67 67 GLN N N 67 115.692 117.799 -2.107 1
1 703 . 5 1 1 A 67 67 GLN H H 67 7.492 7.782 -0.290 1
1 704 . 5 1 1 A 67 67 GLN CA C 67 54.496 54.679 -0.183 1
1 705 . 5 1 1 A 67 67 GLN HA H 67 5.400 4.829 0.571 1
1 706 . 5 1 1 A 67 67 GLN CB C 67 29.896 31.034 -1.138 1
1 713 . 5 1 1 A 67 67 GLN C C 67 175.043 174.365 0.678 1
1 716 . 5 1 1 A 68 68 TYR N N 68 121.249 122.099 -0.850 1
1 717 . 5 1 1 A 68 68 TYR H H 68 9.573 8.966 0.607 1
1 718 . 5 1 1 A 68 68 TYR CA C 68 56.443 56.802 -0.359 1
1 719 . 5 1 1 A 68 68 TYR HA H 68 5.417 5.323 0.094 1
1 720 . 5 1 1 A 68 68 TYR CB C 68 41.249 40.321 0.928 1
1 730 . 5 1 1 A 68 68 TYR C C 68 174.846 174.671 0.175 1
1 732 . 5 1 1 A 69 69 ASN N N 69 122.429 123.899 -1.470 1
1 733 . 5 1 1 A 69 69 ASN H H 69 9.354 9.474 -0.120 1
1 734 . 5 1 1 A 69 69 ASN CA C 69 52.454 53.010 -0.556 1
1 735 . 5 1 1 A 69 69 ASN HA H 69 5.260 4.944 0.316 1
1 736 . 5 1 1 A 69 69 ASN CB C 69 40.922 40.369 0.553 1
1 741 . 5 1 1 A 69 69 ASN C C 69 174.835 174.236 0.599 1
1 743 . 5 1 1 A 70 70 VAL N N 70 131.599 126.678 4.921 1
1 744 . 5 1 1 A 70 70 VAL H H 70 9.157 7.872 1.285 1
1 745 . 5 1 1 A 70 70 VAL CA C 70 60.900 60.693 0.207 1
1 746 . 5 1 1 A 70 70 VAL HA H 70 4.910 5.041 -0.131 1
1 747 . 5 1 1 A 70 70 VAL CB C 70 31.882 34.197 -2.315 1
1 757 . 5 1 1 A 70 70 VAL C C 70 174.368 174.394 -0.026 1
1 758 . 5 1 1 A 71 71 THR N N 71 119.213 121.691 -2.478 1
1 759 . 5 1 1 A 71 71 THR H H 71 8.996 8.760 0.236 1
1 760 . 5 1 1 A 71 71 THR CA C 71 59.796 60.957 -1.161 1
1 761 . 5 1 1 A 71 71 THR HA H 71 5.614 5.100 0.514 1
1 762 . 5 1 1 A 71 71 THR CB C 71 72.339 71.773 0.566 1
1 768 . 5 1 1 A 71 71 THR C C 71 173.260 173.211 0.049 1
1 769 . 5 1 1 A 72 72 TYR N N 72 121.105 120.982 0.123 1
1 770 . 5 1 1 A 72 72 TYR H H 72 9.200 8.441 0.759 1
1 771 . 5 1 1 A 72 72 TYR CA C 72 56.112 55.594 0.518 1
1 772 . 5 1 1 A 72 72 TYR HA H 72 5.600 5.589 0.011 1
1 773 . 5 1 1 A 72 72 TYR CB C 72 41.878 41.983 -0.105 1
1 783 . 5 1 1 A 72 72 TYR C C 72 173.176 173.186 -0.010 1
1 785 . 5 1 1 A 73 73 VAL N N 73 118.799 119.821 -1.022 1
1 786 . 5 1 1 A 73 73 VAL H H 73 8.214 8.725 -0.511 1
1 787 . 5 1 1 A 73 73 VAL CA C 73 61.111 61.286 -0.175 1
1 788 . 5 1 1 A 73 73 VAL HA H 73 4.514 4.968 -0.454 1
1 789 . 5 1 1 A 73 73 VAL CB C 73 35.729 35.717 0.012 1
1 799 . 5 1 1 A 73 73 VAL C C 73 175.529 175.378 0.151 1
1 800 . 5 1 1 A 74 74 VAL N N 74 121.061 121.451 -0.390 1
1 801 . 5 1 1 A 74 74 VAL H H 74 8.947 8.982 -0.035 1
1 802 . 5 1 1 A 74 74 VAL CA C 74 59.858 58.892 0.966 1
1 803 . 5 1 1 A 74 74 VAL HA H 74 4.785 4.927 -0.142 1
1 804 . 5 1 1 A 74 74 VAL CB C 74 32.795 34.908 -2.113 1
1 814 . 5 1 1 A 74 74 VAL C C 74 176.022 175.811 0.211 1
1 815 . 5 1 1 A 75 75 LYS N N 75 120.273 120.958 -0.685 1
1 816 . 5 1 1 A 75 75 LYS H H 75 9.404 8.940 0.464 1
1 817 . 5 1 1 A 75 75 LYS CA C 75 55.705 56.535 -0.830 1
1 818 . 5 1 1 A 75 75 LYS HA H 75 4.653 4.686 -0.033 1
1 819 . 5 1 1 A 75 75 LYS CB C 75 34.767 34.508 0.259 1
1 827 . 5 1 1 A 75 75 LYS C C 75 175.025 176.352 -1.327 1
1 832 . 5 1 1 A 76 76 GLU N N 76 117.540 120.882 -3.342 1
1 833 . 5 1 1 A 76 76 GLU H H 76 7.224 7.768 -0.544 1
1 834 . 5 1 1 A 76 76 GLU CA C 76 54.893 55.623 -0.730 1
1 835 . 5 1 1 A 76 76 GLU HA H 76 4.747 4.816 -0.069 1
1 836 . 5 1 1 A 76 76 GLU CB C 76 33.199 32.220 0.979 1
1 840 . 5 1 1 A 76 76 GLU C C 76 175.664 175.752 -0.088 1
1 843 . 5 1 1 A 77 77 ARG N N 77 125.564 121.585 3.979 1
1 844 . 5 1 1 A 77 77 ARG H H 77 8.906 8.595 0.311 1
1 845 . 5 1 1 A 77 77 ARG CA C 77 56.610 54.025 2.585 1
1 846 . 5 1 1 A 77 77 ARG HA H 77 4.234 5.168 -0.934 1
1 847 . 5 1 1 A 77 77 ARG CB C 77 31.036 33.324 -2.288 1
1 855 . 5 1 1 A 77 77 ARG C C 77 174.779 174.975 -0.196 1
1 859 . 5 1 1 A 78 78 GLY N N 78 108.773 106.850 1.923 1
1 860 . 5 1 1 A 78 78 GLY H H 78 8.928 8.231 0.697 1
1 861 . 5 1 1 A 78 78 GLY CA C 78 44.418 44.476 -0.058 1
1 862 . 5 1 1 A 78 78 GLY HA3 H 78 3.770 4.216 -0.446 1
1 863 . 5 1 1 A 78 78 GLY C C 78 171.452 172.149 -0.697 1
1 864 . 5 1 1 A 78 78 GLY HA2 H 78 4.467 4.195 0.272 1
1 865 . 5 1 1 A 79 79 ASP N N 79 120.109 121.597 -1.488 1
1 866 . 5 1 1 A 79 79 ASP H H 79 8.070 8.441 -0.371 1
1 867 . 5 1 1 A 79 79 ASP CA C 79 54.204 53.478 0.726 1
1 868 . 5 1 1 A 79 79 ASP HA H 79 5.344 5.118 0.226 1
1 869 . 5 1 1 A 79 79 ASP CB C 79 42.148 42.667 -0.519 1
1 871 . 5 1 1 A 79 79 ASP C C 79 175.474 174.752 0.722 1
1 873 . 5 1 1 A 80 80 TYR N N 80 121.969 126.113 -4.144 1
1 874 . 5 1 1 A 80 80 TYR H H 80 9.412 9.493 -0.081 1
1 875 . 5 1 1 A 80 80 TYR CA C 80 56.872 56.351 0.521 1
1 876 . 5 1 1 A 80 80 TYR HA H 80 4.821 5.012 -0.191 1
1 877 . 5 1 1 A 80 80 TYR CB C 80 41.557 41.798 -0.241 1
1 887 . 5 1 1 A 80 80 TYR C C 80 175.552 174.431 1.121 1
1 889 . 5 1 1 A 81 81 VAL N N 81 121.669 122.367 -0.698 1
1 890 . 5 1 1 A 81 81 VAL H H 81 8.688 8.360 0.328 1
1 891 . 5 1 1 A 81 81 VAL CA C 81 61.217 61.434 -0.217 1
1 892 . 5 1 1 A 81 81 VAL HA H 81 4.606 4.506 0.100 1
1 893 . 5 1 1 A 81 81 VAL CB C 81 33.990 32.146 1.844 1
1 903 . 5 1 1 A 81 81 VAL C C 81 173.568 174.310 -0.742 1
1 904 . 5 1 1 A 82 82 LEU N N 82 129.806 130.530 -0.724 1
1 905 . 5 1 1 A 82 82 LEU H H 82 8.873 8.596 0.277 1
1 906 . 5 1 1 A 82 82 LEU CA C 82 53.321 54.069 -0.748 1
1 907 . 5 1 1 A 82 82 LEU HA H 82 5.150 4.845 0.305 1
1 908 . 5 1 1 A 82 82 LEU CB C 82 44.594 43.253 1.341 1
1 920 . 5 1 1 A 82 82 LEU C C 82 174.427 174.674 -0.247 1
1 922 . 5 1 1 A 83 83 ALA N N 83 128.482 130.610 -2.128 1
1 923 . 5 1 1 A 83 83 ALA H H 83 9.294 9.018 0.276 1
1 924 . 5 1 1 A 83 83 ALA CA C 83 50.133 50.653 -0.520 1
1 925 . 5 1 1 A 83 83 ALA HA H 83 5.081 5.023 0.058 1
1 926 . 5 1 1 A 83 83 ALA CB C 83 21.500 20.290 1.210 1
1 930 . 5 1 1 A 83 83 ALA C C 83 174.991 175.908 -0.917 1
1 931 . 5 1 1 A 84 84 VAL N N 84 121.691 123.889 -2.198 1
1 932 . 5 1 1 A 84 84 VAL H H 84 9.222 9.110 0.112 1
1 933 . 5 1 1 A 84 84 VAL CA C 84 61.324 61.279 0.045 1
1 934 . 5 1 1 A 84 84 VAL HA H 84 4.785 4.873 -0.088 1
1 935 . 5 1 1 A 84 84 VAL CB C 84 34.116 33.843 0.273 1
1 945 . 5 1 1 A 84 84 VAL C C 84 174.156 174.902 -0.746 1
1 946 . 5 1 1 A 85 85 LYS N N 85 124.020 126.389 -2.369 1
1 947 . 5 1 1 A 85 85 LYS H H 85 9.193 8.520 0.673 1
1 948 . 5 1 1 A 85 85 LYS CA C 85 54.222 54.367 -0.145 1
1 949 . 5 1 1 A 85 85 LYS HA H 85 4.958 5.175 -0.217 1
1 950 . 5 1 1 A 85 85 LYS CB C 85 34.814 35.670 -0.856 1
1 958 . 5 1 1 A 85 85 LYS C C 85 173.704 175.225 -1.521 1
1 963 . 5 1 1 A 86 86 TRP N N 86 123.429 124.504 -1.075 1
1 964 . 5 1 1 A 86 86 TRP H H 86 8.623 8.902 -0.279 1
1 965 . 5 1 1 A 86 86 TRP CA C 86 53.803 56.707 -2.904 1
1 966 . 5 1 1 A 86 86 TRP HA H 86 5.583 4.904 0.679 1
1 967 . 5 1 1 A 86 86 TRP CB C 86 32.084 31.554 0.530 1
1 981 . 5 1 1 A 86 86 TRP C C 86 176.916 175.845 1.071 1
1 983 . 5 1 1 A 87 87 GLY N N 87 116.722 114.763 1.959 1
1 984 . 5 1 1 A 87 87 GLY H H 87 8.782 8.592 0.190 1
1 985 . 5 1 1 A 87 87 GLY CA C 87 46.432 46.692 -0.260 1
1 986 . 5 1 1 A 87 87 GLY HA3 H 87 3.152 3.591 -0.439 1
1 987 . 5 1 1 A 87 87 GLY C C 87 173.838 174.071 -0.233 1
1 988 . 5 1 1 A 87 87 GLY HA2 H 87 3.732 3.392 0.340 1
1 989 . 5 1 1 A 88 88 GLU N N 88 122.405 110.604 11.801 1
1 990 . 5 1 1 A 88 88 GLU H H 88 8.592 8.469 0.123 1
1 991 . 5 1 1 A 88 88 GLU CA C 88 56.004 57.630 -1.626 1
1 992 . 5 1 1 A 88 88 GLU HA H 88 4.057 3.781 0.276 1
1 993 . 5 1 1 A 88 88 GLU CB C 88 29.764 27.432 2.332 1
1 997 . 5 1 1 A 88 88 GLU C C 88 176.465 174.849 1.616 1
1 1000 . 5 1 1 A 89 89 GLU N N 89 117.358 117.113 0.245 1
1 1001 . 5 1 1 A 89 89 GLU H H 89 7.226 7.588 -0.362 1
1 1002 . 5 1 1 A 89 89 GLU CA C 89 54.921 54.828 0.093 1
1 1003 . 5 1 1 A 89 89 GLU HA H 89 4.580 5.146 -0.566 1
1 1004 . 5 1 1 A 89 89 GLU CB C 89 33.160 34.433 -1.273 1
1 1008 . 5 1 1 A 89 89 GLU C C 89 175.674 174.898 0.776 1
1 1011 . 5 1 1 A 90 90 HIS N N 90 122.210 116.529 5.681 1
1 1012 . 5 1 1 A 90 90 HIS H H 90 8.603 8.823 -0.220 1
1 1013 . 5 1 1 A 90 90 HIS CA C 90 58.321 54.404 3.917 1
1 1014 . 5 1 1 A 90 90 HIS HA H 90 4.343 5.116 -0.773 1
1 1015 . 5 1 1 A 90 90 HIS CB C 90 32.786 31.671 1.115 1
1 1021 . 5 1 1 A 90 90 HIS C C 90 177.001 175.311 1.690 1
1 1023 . 5 1 1 A 91 91 ILE N N 91 117.760 122.805 -5.045 1
1 1024 . 5 1 1 A 91 91 ILE H H 91 8.289 8.189 0.100 1
1 1025 . 5 1 1 A 91 91 ILE CA C 91 61.019 60.259 0.760 1
1 1026 . 5 1 1 A 91 91 ILE HA H 91 4.482 4.257 0.225 1
1 1027 . 5 1 1 A 91 91 ILE CB C 91 35.655 37.860 -2.205 1
1 1039 . 5 1 1 A 91 91 ILE C C 91 173.231 175.451 -2.220 1
1 1041 . 5 1 1 A 92 92 PRO CA C 92 65.378 63.796 1.582 1
1 1042 . 5 1 1 A 92 92 PRO HA H 92 4.207 4.301 -0.094 1
1 1043 . 5 1 1 A 92 92 PRO CB C 92 31.301 31.285 0.016 1
1 1049 . 5 1 1 A 92 92 PRO C C 92 177.559 177.419 0.140 1
1 1053 . 5 1 1 A 93 93 GLY N N 93 115.174 113.233 1.941 1
1 1054 . 5 1 1 A 93 93 GLY H H 93 8.291 8.818 -0.527 1
1 1055 . 5 1 1 A 93 93 GLY CA C 93 44.729 44.626 0.103 1
1 1056 . 5 1 1 A 93 93 GLY HA3 H 93 3.122 3.644 -0.522 1
1 1057 . 5 1 1 A 93 93 GLY C C 93 171.695 173.881 -2.186 1
1 1058 . 5 1 1 A 93 93 GLY HA2 H 93 4.116 3.421 0.695 1
1 1059 . 5 1 1 A 94 94 SER N N 94 112.948 116.964 -4.016 1
1 1060 . 5 1 1 A 94 94 SER H H 94 7.612 7.469 0.143 1
1 1061 . 5 1 1 A 94 94 SER CA C 94 54.585 55.270 -0.685 1
1 1062 . 5 1 1 A 94 94 SER HA H 94 4.002 4.691 -0.689 1
1 1063 . 5 1 1 A 94 94 SER CB C 94 62.348 64.729 -2.381 1
1 1065 . 5 1 1 A 94 94 SER C C 94 174.321 172.693 1.628 1
1 1067 . 5 1 1 A 95 95 PRO CA C 95 62.338 63.002 -0.664 1
1 1068 . 5 1 1 A 95 95 PRO HA H 95 5.296 4.814 0.482 1
1 1069 . 5 1 1 A 95 95 PRO CB C 95 33.730 32.462 1.268 1
1 1075 . 5 1 1 A 95 95 PRO C C 95 175.728 177.118 -1.390 1
1 1079 . 5 1 1 A 96 96 PHE N N 96 124.415 121.454 2.961 1
1 1080 . 5 1 1 A 96 96 PHE H H 96 9.643 8.461 1.182 1
1 1081 . 5 1 1 A 96 96 PHE CA C 96 57.405 57.940 -0.535 1
1 1082 . 5 1 1 A 96 96 PHE HA H 96 4.474 4.945 -0.471 1
1 1083 . 5 1 1 A 96 96 PHE CB C 96 40.160 39.973 0.187 1
1 1095 . 5 1 1 A 96 96 PHE C C 96 175.736 175.546 0.190 1
1 1097 . 5 1 1 A 97 97 HIS N N 97 121.364 121.458 -0.094 1
1 1098 . 5 1 1 A 97 97 HIS H H 97 8.898 8.935 -0.037 1
1 1099 . 5 1 1 A 97 97 HIS CA C 97 55.214 54.206 1.008 1
1 1100 . 5 1 1 A 97 97 HIS HA H 97 5.124 5.258 -0.134 1
1 1101 . 5 1 1 A 97 97 HIS CB C 97 29.981 31.523 -1.542 1
1 1107 . 5 1 1 A 97 97 HIS C C 97 173.895 173.440 0.455 1
1 1109 . 5 1 1 A 98 98 VAL N N 98 127.912 129.024 -1.112 1
1 1110 . 5 1 1 A 98 98 VAL H H 98 8.582 8.957 -0.375 1
1 1111 . 5 1 1 A 98 98 VAL CA C 98 61.467 61.350 0.117 1
1 1112 . 5 1 1 A 98 98 VAL HA H 98 4.096 4.726 -0.630 1
1 1113 . 5 1 1 A 98 98 VAL CB C 98 35.455 33.114 2.341 1
1 1123 . 5 1 1 A 98 98 VAL C C 98 174.874 175.001 -0.127 1
1 1124 . 5 1 1 A 99 99 THR N N 99 123.090 122.840 0.250 1
1 1125 . 5 1 1 A 99 99 THR H H 99 8.117 8.688 -0.571 1
1 1126 . 5 1 1 A 99 99 THR CA C 99 62.031 61.839 0.192 1
1 1127 . 5 1 1 A 99 99 THR HA H 99 4.852 4.884 -0.032 1
1 1128 . 5 1 1 A 99 99 THR CB C 99 70.661 70.334 0.327 1
1 1134 . 5 1 1 A 99 99 THR C C 99 173.264 173.453 -0.189 1
1 1135 . 5 1 1 A 100 100 VAL N N 100 129.827 125.590 4.237 1
1 1136 . 5 1 1 A 100 100 VAL H H 100 8.812 8.814 -0.002 1
1 1137 . 5 1 1 A 100 100 VAL CA C 100 58.577 58.565 0.012 1
1 1138 . 5 1 1 A 100 100 VAL HA H 100 5.053 4.485 0.568 1
1 1139 . 5 1 1 A 100 100 VAL CB C 100 33.365 35.286 -1.921 1
1 1149 . 5 1 1 A 100 100 VAL C C 100 174.927 173.888 1.039 1
1 1 . 6 1 1 A 6 6 SER CA C 6 58.666 57.171 1.495 1
1 2 . 6 1 1 A 6 6 SER HA H 6 4.514 4.818 -0.304 1
1 3 . 6 1 1 A 6 6 SER CB C 6 63.933 65.618 -1.685 1
1 5 . 6 1 1 A 6 6 SER C C 6 175.074 176.126 -1.052 1
1 7 . 6 1 1 A 7 7 GLY N N 7 110.792 109.694 1.098 1
1 8 . 6 1 1 A 7 7 GLY H H 7 8.450 8.757 -0.307 1
1 9 . 6 1 1 A 7 7 GLY CA C 7 45.406 47.461 -2.055 1
1 10 . 6 1 1 A 7 7 GLY HA3 H 7 4.052 3.784 0.268 1
1 11 . 6 1 1 A 7 7 GLY C C 7 174.270 174.578 -0.308 1
1 12 . 6 1 1 A 7 7 GLY HA2 H 7 4.052 3.783 0.269 1
1 13 . 6 1 1 A 8 8 SER N N 8 115.558 110.873 4.685 1
1 14 . 6 1 1 A 8 8 SER H H 8 8.274 8.005 0.269 1
1 15 . 6 1 1 A 8 8 SER CA C 8 58.332 58.864 -0.532 1
1 16 . 6 1 1 A 8 8 SER HA H 8 4.557 4.178 0.379 1
1 17 . 6 1 1 A 8 8 SER CB C 8 63.930 61.240 2.690 1
1 19 . 6 1 1 A 8 8 SER C C 8 174.064 173.144 0.920 1
1 21 . 6 1 1 A 9 9 SER N N 9 116.801 115.266 1.535 1
1 22 . 6 1 1 A 9 9 SER H H 9 8.227 7.654 0.573 1
1 23 . 6 1 1 A 9 9 SER CA C 9 58.075 57.528 0.547 1
1 24 . 6 1 1 A 9 9 SER HA H 9 5.001 5.095 -0.094 1
1 25 . 6 1 1 A 9 9 SER CB C 9 64.491 65.381 -0.890 1
1 27 . 6 1 1 A 9 9 SER C C 9 174.318 172.996 1.322 1
1 29 . 6 1 1 A 10 10 ASP N N 10 122.324 125.370 -3.046 1
1 30 . 6 1 1 A 10 10 ASP H H 10 8.262 9.398 -1.136 1
1 31 . 6 1 1 A 10 10 ASP CA C 10 53.833 52.990 0.843 1
1 32 . 6 1 1 A 10 10 ASP HA H 10 4.892 5.208 -0.316 1
1 33 . 6 1 1 A 10 10 ASP CB C 10 41.497 43.269 -1.772 1
1 35 . 6 1 1 A 10 10 ASP C C 10 176.306 175.922 0.384 1
1 37 . 6 1 1 A 11 11 ALA N N 11 126.255 124.827 1.428 1
1 38 . 6 1 1 A 11 11 ALA H H 11 9.091 8.783 0.308 1
1 39 . 6 1 1 A 11 11 ALA CA C 11 54.713 54.460 0.253 1
1 40 . 6 1 1 A 11 11 ALA HA H 11 4.056 4.210 -0.154 1
1 41 . 6 1 1 A 11 11 ALA CB C 11 20.177 19.447 0.730 1
1 45 . 6 1 1 A 11 11 ALA C C 11 177.950 179.236 -1.286 1
1 46 . 6 1 1 A 12 12 SER N N 12 110.658 113.845 -3.187 1
1 47 . 6 1 1 A 12 12 SER H H 12 8.224 8.066 0.158 1
1 48 . 6 1 1 A 12 12 SER CA C 12 60.857 61.612 -0.755 1
1 49 . 6 1 1 A 12 12 SER HA H 12 4.240 4.210 0.030 1
1 50 . 6 1 1 A 12 12 SER CB C 12 62.964 63.098 -0.134 1
1 52 . 6 1 1 A 12 12 SER C C 12 175.312 176.172 -0.860 1
1 54 . 6 1 1 A 13 13 LYS N N 13 119.063 117.914 1.149 1
1 55 . 6 1 1 A 13 13 LYS H H 13 7.349 7.792 -0.443 1
1 56 . 6 1 1 A 13 13 LYS CA C 13 54.948 57.852 -2.904 1
1 57 . 6 1 1 A 13 13 LYS HA H 13 4.293 4.350 -0.057 1
1 58 . 6 1 1 A 13 13 LYS CB C 13 33.037 33.021 0.016 1
1 66 . 6 1 1 A 13 13 LYS C C 13 177.263 177.474 -0.211 1
1 71 . 6 1 1 A 14 14 VAL N N 14 124.317 120.668 3.649 1
1 72 . 6 1 1 A 14 14 VAL H H 14 7.500 7.641 -0.141 1
1 73 . 6 1 1 A 14 14 VAL CA C 14 63.797 63.013 0.784 1
1 74 . 6 1 1 A 14 14 VAL HA H 14 3.870 3.732 0.138 1
1 75 . 6 1 1 A 14 14 VAL CB C 14 31.996 31.287 0.709 1
1 85 . 6 1 1 A 14 14 VAL C C 14 175.873 175.211 0.662 1
1 86 . 6 1 1 A 15 15 THR N N 15 117.704 119.035 -1.331 1
1 87 . 6 1 1 A 15 15 THR H H 15 8.197 8.559 -0.362 1
1 88 . 6 1 1 A 15 15 THR CA C 15 59.805 59.638 0.167 1
1 89 . 6 1 1 A 15 15 THR HA H 15 4.911 5.327 -0.416 1
1 90 . 6 1 1 A 15 15 THR CB C 15 71.373 71.543 -0.170 1
1 96 . 6 1 1 A 15 15 THR C C 15 172.695 174.114 -1.419 1
1 97 . 6 1 1 A 16 16 SER N N 16 113.256 117.342 -4.086 1
1 98 . 6 1 1 A 16 16 SER H H 16 8.442 9.125 -0.683 1
1 99 . 6 1 1 A 16 16 SER CA C 16 57.155 56.480 0.675 1
1 100 . 6 1 1 A 16 16 SER HA H 16 5.564 5.517 0.047 1
1 101 . 6 1 1 A 16 16 SER CB C 16 66.124 65.849 0.275 1
1 103 . 6 1 1 A 16 16 SER C C 16 173.455 173.524 -0.069 1
1 105 . 6 1 1 A 17 17 LYS N N 17 117.543 120.711 -3.168 1
1 106 . 6 1 1 A 17 17 LYS H H 17 8.870 9.105 -0.235 1
1 107 . 6 1 1 A 17 17 LYS CA C 17 56.063 54.434 1.629 1
1 108 . 6 1 1 A 17 17 LYS HA H 17 4.673 5.220 -0.547 1
1 109 . 6 1 1 A 17 17 LYS CB C 17 35.602 36.420 -0.818 1
1 117 . 6 1 1 A 17 17 LYS C C 17 174.625 174.937 -0.312 1
1 122 . 6 1 1 A 18 18 GLY N N 18 110.702 107.776 2.926 1
1 123 . 6 1 1 A 18 18 GLY H H 18 8.746 8.564 0.182 1
1 124 . 6 1 1 A 18 18 GLY CA C 18 44.501 44.261 0.240 1
1 125 . 6 1 1 A 18 18 GLY HA3 H 18 3.998 4.284 -0.286 1
1 126 . 6 1 1 A 18 18 GLY C C 18 175.460 174.130 1.330 1
1 127 . 6 1 1 A 18 18 GLY HA2 H 18 4.947 4.248 0.699 1
1 128 . 6 1 1 A 19 19 ALA CA C 19 55.387 54.625 0.762 1
1 129 . 6 1 1 A 19 19 ALA HA H 19 4.229 4.261 -0.032 1
1 130 . 6 1 1 A 19 19 ALA CB C 19 18.689 19.197 -0.508 1
1 134 . 6 1 1 A 19 19 ALA C C 19 179.606 179.555 0.051 1
1 135 . 6 1 1 A 20 20 GLY N N 20 101.587 106.791 -5.204 1
1 136 . 6 1 1 A 20 20 GLY H H 20 8.466 8.428 0.038 1
1 137 . 6 1 1 A 20 20 GLY CA C 20 46.078 47.262 -1.184 1
1 138 . 6 1 1 A 20 20 GLY HA3 H 20 3.596 3.985 -0.389 1
1 139 . 6 1 1 A 20 20 GLY C C 20 173.214 176.756 -3.542 1
1 140 . 6 1 1 A 20 20 GLY HA2 H 20 4.689 3.981 0.708 1
1 141 . 6 1 1 A 21 21 LEU N N 21 115.987 122.934 -6.947 1
1 142 . 6 1 1 A 21 21 LEU H H 21 6.928 7.886 -0.958 1
1 143 . 6 1 1 A 21 21 LEU CA C 21 55.567 57.405 -1.838 1
1 144 . 6 1 1 A 21 21 LEU HA H 21 3.404 3.829 -0.425 1
1 145 . 6 1 1 A 21 21 LEU CB C 21 41.702 41.277 0.425 1
1 157 . 6 1 1 A 21 21 LEU C C 21 175.989 179.395 -3.406 1
1 159 . 6 1 1 A 22 22 SER N N 22 106.483 113.163 -6.680 1
1 160 . 6 1 1 A 22 22 SER H H 22 7.808 8.199 -0.391 1
1 161 . 6 1 1 A 22 22 SER CA C 22 58.956 60.798 -1.842 1
1 162 . 6 1 1 A 22 22 SER HA H 22 4.901 4.501 0.400 1
1 163 . 6 1 1 A 22 22 SER CB C 22 66.238 63.726 2.512 1
1 165 . 6 1 1 A 22 22 SER C C 22 174.051 174.159 -0.108 1
1 167 . 6 1 1 A 23 23 LYS N N 23 124.757 115.222 9.535 1
1 168 . 6 1 1 A 23 23 LYS H H 23 8.399 8.002 0.397 1
1 169 . 6 1 1 A 23 23 LYS CA C 23 55.676 54.942 0.734 1
1 170 . 6 1 1 A 23 23 LYS HA H 23 4.973 4.691 0.282 1
1 171 . 6 1 1 A 23 23 LYS CB C 23 36.338 35.829 0.509 1
1 179 . 6 1 1 A 23 23 LYS C C 23 173.136 174.052 -0.916 1
1 184 . 6 1 1 A 24 24 ALA N N 24 123.565 121.657 1.908 1
1 185 . 6 1 1 A 24 24 ALA H H 24 7.541 8.744 -1.203 1
1 186 . 6 1 1 A 24 24 ALA CA C 24 51.148 50.299 0.849 1
1 187 . 6 1 1 A 24 24 ALA HA H 24 4.256 5.591 -1.335 1
1 188 . 6 1 1 A 24 24 ALA CB C 24 22.019 23.566 -1.547 1
1 192 . 6 1 1 A 24 24 ALA C C 24 173.515 175.488 -1.973 1
1 193 . 6 1 1 A 25 25 PHE N N 25 114.269 114.933 -0.664 1
1 194 . 6 1 1 A 25 25 PHE H H 25 7.858 8.954 -1.096 1
1 195 . 6 1 1 A 25 25 PHE CA C 25 55.809 56.524 -0.715 1
1 196 . 6 1 1 A 25 25 PHE HA H 25 5.191 4.931 0.260 1
1 197 . 6 1 1 A 25 25 PHE CB C 25 41.943 43.011 -1.068 1
1 209 . 6 1 1 A 25 25 PHE C C 25 177.046 175.258 1.788 1
1 211 . 6 1 1 A 26 26 VAL N N 26 123.270 122.803 0.467 1
1 212 . 6 1 1 A 26 26 VAL H H 26 9.338 8.598 0.740 1
1 213 . 6 1 1 A 26 26 VAL CA C 26 65.054 65.244 -0.190 1
1 214 . 6 1 1 A 26 26 VAL HA H 26 3.441 3.829 -0.388 1
1 215 . 6 1 1 A 26 26 VAL CB C 26 31.757 31.407 0.350 1
1 225 . 6 1 1 A 26 26 VAL C C 26 178.201 177.307 0.894 1
1 226 . 6 1 1 A 27 27 GLY N N 27 112.668 114.890 -2.222 1
1 227 . 6 1 1 A 27 27 GLY H H 27 8.862 9.153 -0.291 1
1 228 . 6 1 1 A 27 27 GLY CA C 27 45.857 45.389 0.468 1
1 229 . 6 1 1 A 27 27 GLY HA3 H 27 4.229 4.036 0.193 1
1 230 . 6 1 1 A 27 27 GLY C C 27 173.411 174.258 -0.847 1
1 231 . 6 1 1 A 27 27 GLY HA2 H 27 3.631 4.035 -0.404 1
1 232 . 6 1 1 A 28 28 GLN N N 28 118.568 120.667 -2.099 1
1 233 . 6 1 1 A 28 28 GLN H H 28 7.755 8.164 -0.409 1
1 234 . 6 1 1 A 28 28 GLN CA C 28 53.825 56.580 -2.755 1
1 235 . 6 1 1 A 28 28 GLN HA H 28 4.690 4.316 0.374 1
1 236 . 6 1 1 A 28 28 GLN CB C 28 30.975 30.093 0.882 1
1 243 . 6 1 1 A 28 28 GLN C C 28 175.517 174.487 1.030 1
1 246 . 6 1 1 A 29 29 LYS N N 29 123.598 122.661 0.937 1
1 247 . 6 1 1 A 29 29 LYS H H 29 8.839 8.390 0.449 1
1 248 . 6 1 1 A 29 29 LYS CA C 29 57.587 54.499 3.088 1
1 249 . 6 1 1 A 29 29 LYS HA H 29 4.158 4.878 -0.720 1
1 250 . 6 1 1 A 29 29 LYS CB C 29 32.381 35.312 -2.931 1
1 258 . 6 1 1 A 29 29 LYS C C 29 176.190 174.674 1.516 1
1 263 . 6 1 1 A 30 30 SER N N 30 124.030 124.574 -0.544 1
1 264 . 6 1 1 A 30 30 SER H H 30 8.694 8.334 0.360 1
1 265 . 6 1 1 A 30 30 SER CA C 30 57.560 58.483 -0.923 1
1 266 . 6 1 1 A 30 30 SER HA H 30 4.758 4.719 0.039 1
1 267 . 6 1 1 A 30 30 SER CB C 30 64.143 63.567 0.576 1
1 269 . 6 1 1 A 30 30 SER C C 30 173.413 173.943 -0.530 1
1 271 . 6 1 1 A 31 31 SER N N 31 116.828 119.257 -2.429 1
1 272 . 6 1 1 A 31 31 SER H H 31 8.894 8.643 0.251 1
1 273 . 6 1 1 A 31 31 SER CA C 31 57.132 55.626 1.506 1
1 274 . 6 1 1 A 31 31 SER HA H 31 6.181 5.325 0.856 1
1 275 . 6 1 1 A 31 31 SER CB C 31 67.745 66.533 1.212 1
1 277 . 6 1 1 A 31 31 SER C C 31 174.171 173.592 0.579 1
1 279 . 6 1 1 A 32 32 PHE N N 32 117.724 117.454 0.270 1
1 280 . 6 1 1 A 32 32 PHE H H 32 8.853 8.437 0.416 1
1 281 . 6 1 1 A 32 32 PHE CA C 32 57.190 55.816 1.374 1
1 282 . 6 1 1 A 32 32 PHE HA H 32 5.016 5.285 -0.269 1
1 283 . 6 1 1 A 32 32 PHE CB C 32 40.712 42.010 -1.298 1
1 295 . 6 1 1 A 32 32 PHE C C 32 170.765 172.269 -1.504 1
1 297 . 6 1 1 A 33 33 LEU N N 33 121.533 124.287 -2.754 1
1 298 . 6 1 1 A 33 33 LEU H H 33 9.223 9.084 0.139 1
1 299 . 6 1 1 A 33 33 LEU CA C 33 53.636 53.767 -0.131 1
1 300 . 6 1 1 A 33 33 LEU HA H 33 5.531 5.059 0.472 1
1 301 . 6 1 1 A 33 33 LEU CB C 33 46.278 45.055 1.223 1
1 313 . 6 1 1 A 33 33 LEU C C 33 176.559 174.464 2.095 1
1 315 . 6 1 1 A 34 34 VAL N N 34 123.140 126.555 -3.415 1
1 316 . 6 1 1 A 34 34 VAL H H 34 9.257 8.805 0.452 1
1 317 . 6 1 1 A 34 34 VAL CA C 34 61.182 61.340 -0.158 1
1 318 . 6 1 1 A 34 34 VAL HA H 34 4.785 4.840 -0.055 1
1 319 . 6 1 1 A 34 34 VAL CB C 34 34.589 34.285 0.304 1
1 329 . 6 1 1 A 34 34 VAL C C 34 174.370 174.450 -0.080 1
1 330 . 6 1 1 A 35 35 ASP N N 35 126.353 127.653 -1.300 1
1 331 . 6 1 1 A 35 35 ASP H H 35 9.312 9.030 0.282 1
1 332 . 6 1 1 A 35 35 ASP CA C 35 53.298 54.090 -0.792 1
1 333 . 6 1 1 A 35 35 ASP HA H 35 5.229 5.286 -0.057 1
1 334 . 6 1 1 A 35 35 ASP CB C 35 41.538 42.258 -0.720 1
1 336 . 6 1 1 A 35 35 ASP C C 35 176.980 175.807 1.173 1
1 338 . 6 1 1 A 36 36 CYS N N 36 125.342 123.719 1.623 1
1 339 . 6 1 1 A 36 36 CYS H H 36 9.275 8.903 0.372 1
1 340 . 6 1 1 A 36 36 CYS CA C 36 57.367 57.921 -0.554 1
1 341 . 6 1 1 A 36 36 CYS HA H 36 4.374 4.852 -0.478 1
1 342 . 6 1 1 A 36 36 CYS CB C 36 28.369 28.738 -0.369 1
1 344 . 6 1 1 A 36 36 CYS C C 36 177.015 175.061 1.954 1
1 346 . 6 1 1 A 37 37 SER N N 37 119.973 117.861 2.112 1
1 347 . 6 1 1 A 37 37 SER H H 37 9.039 7.970 1.069 1
1 348 . 6 1 1 A 37 37 SER CA C 37 62.787 61.816 0.971 1
1 349 . 6 1 1 A 37 37 SER HA H 37 3.932 4.114 -0.182 1
1 350 . 6 1 1 A 37 37 SER CB C 37 62.982 62.907 0.075 1
1 352 . 6 1 1 A 37 37 SER C C 37 176.290 175.738 0.552 1
1 354 . 6 1 1 A 38 38 LYS N N 38 120.815 117.339 3.476 1
1 355 . 6 1 1 A 38 38 LYS H H 38 8.676 8.094 0.582 1
1 356 . 6 1 1 A 38 38 LYS CA C 38 55.123 55.137 -0.014 1
1 357 . 6 1 1 A 38 38 LYS HA H 38 4.730 4.629 0.101 1
1 358 . 6 1 1 A 38 38 LYS CB C 38 32.250 32.248 0.002 1
1 366 . 6 1 1 A 38 38 LYS C C 38 176.385 176.721 -0.336 1
1 371 . 6 1 1 A 39 39 ALA N N 39 121.594 121.474 0.120 1
1 372 . 6 1 1 A 39 39 ALA H H 39 7.322 7.902 -0.580 1
1 373 . 6 1 1 A 39 39 ALA CA C 39 52.127 53.853 -1.726 1
1 374 . 6 1 1 A 39 39 ALA HA H 39 4.436 4.318 0.118 1
1 375 . 6 1 1 A 39 39 ALA CB C 39 21.347 19.696 1.651 1
1 379 . 6 1 1 A 39 39 ALA C C 39 177.453 177.665 -0.212 1
1 380 . 6 1 1 A 40 40 GLY N N 40 111.873 102.353 9.520 1
1 381 . 6 1 1 A 40 40 GLY H H 40 8.755 7.499 1.256 1
1 382 . 6 1 1 A 40 40 GLY CA C 40 45.619 45.649 -0.030 1
1 383 . 6 1 1 A 40 40 GLY HA3 H 40 4.329 4.330 -0.001 1
1 384 . 6 1 1 A 40 40 GLY C C 40 173.801 173.985 -0.184 1
1 385 . 6 1 1 A 40 40 GLY HA2 H 40 3.754 4.194 -0.440 1
1 386 . 6 1 1 A 41 41 SER N N 41 117.149 114.314 2.835 1
1 387 . 6 1 1 A 41 41 SER H H 41 8.524 8.663 -0.139 1
1 388 . 6 1 1 A 41 41 SER CA C 41 56.849 57.886 -1.037 1
1 389 . 6 1 1 A 41 41 SER HA H 41 5.010 4.700 0.310 1
1 390 . 6 1 1 A 41 41 SER CB C 41 63.917 62.969 0.948 1
1 392 . 6 1 1 A 41 41 SER C C 41 172.603 174.522 -1.919 1
1 394 . 6 1 1 A 42 42 ASN N N 42 125.590 119.646 5.944 1
1 395 . 6 1 1 A 42 42 ASN H H 42 7.155 7.658 -0.503 1
1 396 . 6 1 1 A 42 42 ASN CA C 42 50.805 52.045 -1.240 1
1 397 . 6 1 1 A 42 42 ASN HA H 42 3.256 4.749 -1.493 1
1 398 . 6 1 1 A 42 42 ASN CB C 42 39.354 39.449 -0.095 1
1 403 . 6 1 1 A 42 42 ASN C C 42 170.908 174.427 -3.519 1
1 405 . 6 1 1 A 43 43 MET N N 43 115.129 117.703 -2.574 1
1 406 . 6 1 1 A 43 43 MET H H 43 8.366 7.945 0.421 1
1 407 . 6 1 1 A 43 43 MET CA C 43 53.424 52.973 0.451 1
1 408 . 6 1 1 A 43 43 MET HA H 43 4.102 5.160 -1.058 1
1 409 . 6 1 1 A 43 43 MET CB C 43 35.572 35.060 0.512 1
1 417 . 6 1 1 A 43 43 MET C C 43 173.140 174.109 -0.969 1
1 420 . 6 1 1 A 44 44 LEU N N 44 128.038 123.931 4.107 1
1 421 . 6 1 1 A 44 44 LEU H H 44 8.300 8.629 -0.329 1
1 422 . 6 1 1 A 44 44 LEU CA C 44 53.806 53.412 0.394 1
1 423 . 6 1 1 A 44 44 LEU HA H 44 5.331 5.223 0.108 1
1 424 . 6 1 1 A 44 44 LEU CB C 44 43.598 44.044 -0.446 1
1 436 . 6 1 1 A 44 44 LEU C C 44 175.236 175.870 -0.634 1
1 438 . 6 1 1 A 45 45 LEU N N 45 126.999 122.344 4.655 1
1 439 . 6 1 1 A 45 45 LEU H H 45 9.109 9.005 0.104 1
1 440 . 6 1 1 A 45 45 LEU CA C 45 54.800 52.557 2.243 1
1 441 . 6 1 1 A 45 45 LEU HA H 45 5.135 5.370 -0.235 1
1 442 . 6 1 1 A 45 45 LEU CB C 45 45.499 46.081 -0.582 1
1 454 . 6 1 1 A 45 45 LEU C C 45 175.167 175.591 -0.424 1
1 456 . 6 1 1 A 46 46 ILE N N 46 118.172 119.711 -1.539 1
1 457 . 6 1 1 A 46 46 ILE H H 46 7.966 8.596 -0.630 1
1 458 . 6 1 1 A 46 46 ILE CA C 46 58.091 59.569 -1.478 1
1 459 . 6 1 1 A 46 46 ILE HA H 46 5.412 5.007 0.405 1
1 460 . 6 1 1 A 46 46 ILE CB C 46 41.988 42.401 -0.413 1
1 472 . 6 1 1 A 46 46 ILE C C 46 174.748 175.655 -0.907 1
1 474 . 6 1 1 A 47 47 GLY N N 47 110.148 115.652 -5.504 1
1 475 . 6 1 1 A 47 47 GLY H H 47 8.554 8.690 -0.136 1
1 476 . 6 1 1 A 47 47 GLY CA C 47 46.136 46.110 0.026 1
1 477 . 6 1 1 A 47 47 GLY HA3 H 47 4.604 4.234 0.370 1
1 478 . 6 1 1 A 47 47 GLY C C 47 171.583 173.367 -1.784 1
1 479 . 6 1 1 A 47 47 GLY HA2 H 47 3.933 4.232 -0.299 1
1 480 . 6 1 1 A 48 48 VAL N N 48 120.434 117.844 2.590 1
1 481 . 6 1 1 A 48 48 VAL H H 48 9.048 7.597 1.451 1
1 482 . 6 1 1 A 48 48 VAL CA C 48 61.060 62.265 -1.205 1
1 483 . 6 1 1 A 48 48 VAL HA H 48 5.143 4.103 1.040 1
1 484 . 6 1 1 A 48 48 VAL CB C 48 34.976 31.956 3.020 1
1 494 . 6 1 1 A 48 48 VAL C C 48 175.260 175.811 -0.551 1
1 495 . 6 1 1 A 49 49 HIS N N 49 127.718 121.957 5.761 1
1 496 . 6 1 1 A 49 49 HIS H H 49 9.556 8.812 0.744 1
1 497 . 6 1 1 A 49 49 HIS CA C 49 55.342 55.581 -0.239 1
1 498 . 6 1 1 A 49 49 HIS HA H 49 4.987 4.578 0.409 1
1 499 . 6 1 1 A 49 49 HIS CB C 49 34.476 30.698 3.778 1
1 505 . 6 1 1 A 49 49 HIS C C 49 173.822 175.353 -1.531 1
1 507 . 6 1 1 A 50 50 GLY N N 50 115.577 106.566 9.011 1
1 508 . 6 1 1 A 50 50 GLY H H 50 8.192 8.585 -0.393 1
1 509 . 6 1 1 A 50 50 GLY CA C 50 44.693 45.713 -1.020 1
1 510 . 6 1 1 A 50 50 GLY HA3 H 50 3.247 4.240 -0.993 1
1 511 . 6 1 1 A 50 50 GLY C C 50 171.437 173.530 -2.093 1
1 512 . 6 1 1 A 50 50 GLY HA2 H 50 3.722 4.170 -0.448 1
1 513 . 6 1 1 A 51 51 PRO CA C 51 64.376 65.137 -0.761 1
1 514 . 6 1 1 A 51 51 PRO HA H 51 4.104 4.326 -0.222 1
1 515 . 6 1 1 A 51 51 PRO CB C 51 32.141 31.939 0.202 1
1 521 . 6 1 1 A 51 51 PRO C C 51 177.607 177.883 -0.276 1
1 525 . 6 1 1 A 52 52 THR N N 52 109.088 108.602 0.486 1
1 526 . 6 1 1 A 52 52 THR H H 52 8.447 7.880 0.567 1
1 527 . 6 1 1 A 52 52 THR CA C 52 62.861 62.171 0.690 1
1 528 . 6 1 1 A 52 52 THR HA H 52 4.424 4.563 -0.139 1
1 529 . 6 1 1 A 52 52 THR CB C 52 70.329 70.069 0.260 1
1 535 . 6 1 1 A 52 52 THR C C 52 174.926 174.743 0.183 1
1 536 . 6 1 1 A 53 53 THR N N 53 118.915 114.838 4.077 1
1 537 . 6 1 1 A 53 53 THR H H 53 7.983 8.004 -0.021 1
1 538 . 6 1 1 A 53 53 THR CA C 53 59.878 58.932 0.946 1
1 539 . 6 1 1 A 53 53 THR HA H 53 4.751 4.770 -0.019 1
1 540 . 6 1 1 A 53 53 THR CB C 53 71.034 70.218 0.816 1
1 546 . 6 1 1 A 53 53 THR C C 53 172.019 172.262 -0.243 1
1 547 . 6 1 1 A 54 54 PRO CA C 54 62.614 62.124 0.490 1
1 548 . 6 1 1 A 54 54 PRO HA H 54 4.629 4.355 0.274 1
1 549 . 6 1 1 A 54 54 PRO CB C 54 32.845 33.031 -0.186 1
1 555 . 6 1 1 A 54 54 PRO C C 54 177.751 176.459 1.292 1
1 559 . 6 1 1 A 55 55 CYS N N 55 121.538 119.098 2.440 1
1 560 . 6 1 1 A 55 55 CYS H H 55 8.938 8.157 0.781 1
1 561 . 6 1 1 A 55 55 CYS CA C 55 60.342 58.090 2.252 1
1 562 . 6 1 1 A 55 55 CYS HA H 55 4.563 4.681 -0.118 1
1 563 . 6 1 1 A 55 55 CYS CB C 55 27.534 29.506 -1.972 1
1 565 . 6 1 1 A 55 55 CYS C C 55 174.437 175.975 -1.538 1
1 567 . 6 1 1 A 56 56 GLU N N 56 124.530 123.105 1.425 1
1 568 . 6 1 1 A 56 56 GLU H H 56 8.450 8.891 -0.441 1
1 569 . 6 1 1 A 56 56 GLU CA C 56 59.363 58.946 0.417 1
1 570 . 6 1 1 A 56 56 GLU HA H 56 4.471 4.229 0.242 1
1 571 . 6 1 1 A 56 56 GLU CB C 56 31.217 30.624 0.593 1
1 575 . 6 1 1 A 56 56 GLU C C 56 176.847 176.460 0.387 1
1 578 . 6 1 1 A 57 57 GLU N N 57 114.661 114.320 0.341 1
1 579 . 6 1 1 A 57 57 GLU H H 57 7.478 7.739 -0.261 1
1 580 . 6 1 1 A 57 57 GLU CA C 57 55.551 55.510 0.041 1
1 581 . 6 1 1 A 57 57 GLU HA H 57 5.414 4.695 0.719 1
1 582 . 6 1 1 A 57 57 GLU CB C 57 34.084 31.837 2.247 1
1 586 . 6 1 1 A 57 57 GLU C C 57 174.400 173.806 0.594 1
1 589 . 6 1 1 A 58 58 VAL N N 58 123.611 120.735 2.876 1
1 590 . 6 1 1 A 58 58 VAL H H 58 8.605 8.494 0.111 1
1 591 . 6 1 1 A 58 58 VAL CA C 58 62.048 61.676 0.372 1
1 592 . 6 1 1 A 58 58 VAL HA H 58 4.941 4.843 0.098 1
1 593 . 6 1 1 A 58 58 VAL CB C 58 35.700 34.462 1.238 1
1 603 . 6 1 1 A 58 58 VAL C C 58 174.426 174.533 -0.107 1
1 604 . 6 1 1 A 59 59 SER N N 59 121.592 123.534 -1.942 1
1 605 . 6 1 1 A 59 59 SER H H 59 9.635 9.193 0.442 1
1 606 . 6 1 1 A 59 59 SER CA C 59 57.012 56.913 0.099 1
1 607 . 6 1 1 A 59 59 SER HA H 59 5.526 4.821 0.705 1
1 608 . 6 1 1 A 59 59 SER CB C 59 65.896 63.850 2.046 1
1 610 . 6 1 1 A 59 59 SER C C 59 172.465 173.235 -0.770 1
1 612 . 6 1 1 A 60 60 MET N N 60 122.508 127.859 -5.351 1
1 613 . 6 1 1 A 60 60 MET H H 60 9.435 9.158 0.277 1
1 614 . 6 1 1 A 60 60 MET CA C 60 54.541 53.509 1.032 1
1 615 . 6 1 1 A 60 60 MET HA H 60 5.352 5.490 -0.138 1
1 616 . 6 1 1 A 60 60 MET CB C 60 37.420 34.153 3.267 1
1 624 . 6 1 1 A 60 60 MET C C 60 174.616 175.649 -1.033 1
1 627 . 6 1 1 A 61 61 LYS N N 61 125.580 123.802 1.778 1
1 628 . 6 1 1 A 61 61 LYS H H 61 8.963 8.965 -0.002 1
1 629 . 6 1 1 A 61 61 LYS CA C 61 54.688 54.971 -0.283 1
1 630 . 6 1 1 A 61 61 LYS HA H 61 5.396 4.877 0.519 1
1 631 . 6 1 1 A 61 61 LYS CB C 61 36.412 36.066 0.346 1
1 639 . 6 1 1 A 61 61 LYS C C 61 175.548 175.137 0.411 1
1 644 . 6 1 1 A 62 62 HIS N N 62 125.822 125.235 0.587 1
1 645 . 6 1 1 A 62 62 HIS H H 62 8.967 9.006 -0.039 1
1 646 . 6 1 1 A 62 62 HIS CA C 62 55.674 54.080 1.594 1
1 647 . 6 1 1 A 62 62 HIS HA H 62 4.621 4.805 -0.184 1
1 648 . 6 1 1 A 62 62 HIS CB C 62 29.732 28.547 1.185 1
1 654 . 6 1 1 A 62 62 HIS C C 62 175.912 174.935 0.977 1
1 656 . 6 1 1 A 63 63 VAL N N 63 124.131 123.996 0.135 1
1 657 . 6 1 1 A 63 63 VAL H H 63 8.633 7.874 0.759 1
1 658 . 6 1 1 A 63 63 VAL CA C 63 61.288 64.439 -3.151 1
1 659 . 6 1 1 A 63 63 VAL HA H 63 4.299 3.645 0.654 1
1 660 . 6 1 1 A 63 63 VAL CB C 63 30.964 32.481 -1.517 1
1 670 . 6 1 1 A 63 63 VAL C C 63 175.339 175.378 -0.039 1
1 671 . 6 1 1 A 64 64 GLY N N 64 108.087 109.874 -1.787 1
1 672 . 6 1 1 A 64 64 GLY H H 64 5.406 6.968 -1.562 1
1 673 . 6 1 1 A 64 64 GLY CA C 64 44.979 43.502 1.477 1
1 674 . 6 1 1 A 64 64 GLY HA3 H 64 3.118 3.753 -0.635 1
1 675 . 6 1 1 A 64 64 GLY C C 64 174.125 173.932 0.193 1
1 676 . 6 1 1 A 64 64 GLY HA2 H 64 4.287 3.091 1.196 1
1 677 . 6 1 1 A 65 65 ASN N N 65 118.292 117.323 0.969 1
1 678 . 6 1 1 A 65 65 ASN H H 65 9.260 9.295 -0.035 1
1 679 . 6 1 1 A 65 65 ASN CA C 65 54.643 54.517 0.126 1
1 680 . 6 1 1 A 65 65 ASN HA H 65 4.401 4.407 -0.006 1
1 681 . 6 1 1 A 65 65 ASN CB C 65 37.695 36.880 0.815 1
1 686 . 6 1 1 A 65 65 ASN C C 65 174.079 174.708 -0.629 1
1 688 . 6 1 1 A 66 66 GLN N N 66 111.325 109.059 2.266 1
1 689 . 6 1 1 A 66 66 GLN H H 66 10.512 8.563 1.949 1
1 690 . 6 1 1 A 66 66 GLN CA C 66 57.009 57.245 -0.236 1
1 691 . 6 1 1 A 66 66 GLN HA H 66 3.713 3.935 -0.222 1
1 692 . 6 1 1 A 66 66 GLN CB C 66 24.986 26.741 -1.755 1
1 699 . 6 1 1 A 66 66 GLN C C 66 173.896 174.226 -0.330 1
1 702 . 6 1 1 A 67 67 GLN N N 67 115.692 117.355 -1.663 1
1 703 . 6 1 1 A 67 67 GLN H H 67 7.492 7.647 -0.155 1
1 704 . 6 1 1 A 67 67 GLN CA C 67 54.496 54.597 -0.101 1
1 705 . 6 1 1 A 67 67 GLN HA H 67 5.400 4.960 0.440 1
1 706 . 6 1 1 A 67 67 GLN CB C 67 29.896 31.142 -1.246 1
1 713 . 6 1 1 A 67 67 GLN C C 67 175.043 174.066 0.977 1
1 716 . 6 1 1 A 68 68 TYR N N 68 121.249 122.197 -0.948 1
1 717 . 6 1 1 A 68 68 TYR H H 68 9.573 9.050 0.523 1
1 718 . 6 1 1 A 68 68 TYR CA C 68 56.443 56.593 -0.150 1
1 719 . 6 1 1 A 68 68 TYR HA H 68 5.417 5.242 0.175 1
1 720 . 6 1 1 A 68 68 TYR CB C 68 41.249 40.399 0.850 1
1 730 . 6 1 1 A 68 68 TYR C C 68 174.846 174.634 0.212 1
1 732 . 6 1 1 A 69 69 ASN N N 69 122.429 123.814 -1.385 1
1 733 . 6 1 1 A 69 69 ASN H H 69 9.354 9.261 0.093 1
1 734 . 6 1 1 A 69 69 ASN CA C 69 52.454 52.970 -0.516 1
1 735 . 6 1 1 A 69 69 ASN HA H 69 5.260 4.921 0.339 1
1 736 . 6 1 1 A 69 69 ASN CB C 69 40.922 40.289 0.633 1
1 741 . 6 1 1 A 69 69 ASN C C 69 174.835 174.171 0.664 1
1 743 . 6 1 1 A 70 70 VAL N N 70 131.599 125.667 5.932 1
1 744 . 6 1 1 A 70 70 VAL H H 70 9.157 7.925 1.232 1
1 745 . 6 1 1 A 70 70 VAL CA C 70 60.900 60.554 0.346 1
1 746 . 6 1 1 A 70 70 VAL HA H 70 4.910 4.971 -0.061 1
1 747 . 6 1 1 A 70 70 VAL CB C 70 31.882 34.248 -2.366 1
1 757 . 6 1 1 A 70 70 VAL C C 70 174.368 174.272 0.096 1
1 758 . 6 1 1 A 71 71 THR N N 71 119.213 121.477 -2.264 1
1 759 . 6 1 1 A 71 71 THR H H 71 8.996 8.754 0.242 1
1 760 . 6 1 1 A 71 71 THR CA C 71 59.796 60.996 -1.200 1
1 761 . 6 1 1 A 71 71 THR HA H 71 5.614 5.196 0.418 1
1 762 . 6 1 1 A 71 71 THR CB C 71 72.339 71.652 0.687 1
1 768 . 6 1 1 A 71 71 THR C C 71 173.260 173.177 0.083 1
1 769 . 6 1 1 A 72 72 TYR N N 72 121.105 120.700 0.405 1
1 770 . 6 1 1 A 72 72 TYR H H 72 9.200 8.652 0.548 1
1 771 . 6 1 1 A 72 72 TYR CA C 72 56.112 55.559 0.553 1
1 772 . 6 1 1 A 72 72 TYR HA H 72 5.600 5.765 -0.165 1
1 773 . 6 1 1 A 72 72 TYR CB C 72 41.878 41.938 -0.060 1
1 783 . 6 1 1 A 72 72 TYR C C 72 173.176 173.184 -0.008 1
1 785 . 6 1 1 A 73 73 VAL N N 73 118.799 119.703 -0.904 1
1 786 . 6 1 1 A 73 73 VAL H H 73 8.214 8.739 -0.525 1
1 787 . 6 1 1 A 73 73 VAL CA C 73 61.111 61.462 -0.351 1
1 788 . 6 1 1 A 73 73 VAL HA H 73 4.514 4.944 -0.430 1
1 789 . 6 1 1 A 73 73 VAL CB C 73 35.729 35.531 0.198 1
1 799 . 6 1 1 A 73 73 VAL C C 73 175.529 175.370 0.159 1
1 800 . 6 1 1 A 74 74 VAL N N 74 121.061 122.736 -1.675 1
1 801 . 6 1 1 A 74 74 VAL H H 74 8.947 9.130 -0.183 1
1 802 . 6 1 1 A 74 74 VAL CA C 74 59.858 59.388 0.470 1
1 803 . 6 1 1 A 74 74 VAL HA H 74 4.785 4.985 -0.200 1
1 804 . 6 1 1 A 74 74 VAL CB C 74 32.795 34.477 -1.682 1
1 814 . 6 1 1 A 74 74 VAL C C 74 176.022 176.032 -0.010 1
1 815 . 6 1 1 A 75 75 LYS N N 75 120.273 122.191 -1.918 1
1 816 . 6 1 1 A 75 75 LYS H H 75 9.404 8.818 0.586 1
1 817 . 6 1 1 A 75 75 LYS CA C 75 55.705 55.905 -0.200 1
1 818 . 6 1 1 A 75 75 LYS HA H 75 4.653 4.718 -0.065 1
1 819 . 6 1 1 A 75 75 LYS CB C 75 34.767 33.531 1.236 1
1 827 . 6 1 1 A 75 75 LYS C C 75 175.025 176.148 -1.123 1
1 832 . 6 1 1 A 76 76 GLU N N 76 117.540 121.299 -3.759 1
1 833 . 6 1 1 A 76 76 GLU H H 76 7.224 7.811 -0.587 1
1 834 . 6 1 1 A 76 76 GLU CA C 76 54.893 54.528 0.365 1
1 835 . 6 1 1 A 76 76 GLU HA H 76 4.747 4.993 -0.246 1
1 836 . 6 1 1 A 76 76 GLU CB C 76 33.199 33.441 -0.242 1
1 840 . 6 1 1 A 76 76 GLU C C 76 175.664 174.958 0.706 1
1 843 . 6 1 1 A 77 77 ARG N N 77 125.564 123.991 1.573 1
1 844 . 6 1 1 A 77 77 ARG H H 77 8.906 8.733 0.173 1
1 845 . 6 1 1 A 77 77 ARG CA C 77 56.610 55.135 1.475 1
1 846 . 6 1 1 A 77 77 ARG HA H 77 4.234 5.022 -0.788 1
1 847 . 6 1 1 A 77 77 ARG CB C 77 31.036 32.685 -1.649 1
1 855 . 6 1 1 A 77 77 ARG C C 77 174.779 175.752 -0.973 1
1 859 . 6 1 1 A 78 78 GLY N N 78 108.773 108.459 0.314 1
1 860 . 6 1 1 A 78 78 GLY H H 78 8.928 8.494 0.434 1
1 861 . 6 1 1 A 78 78 GLY CA C 78 44.418 43.941 0.477 1
1 862 . 6 1 1 A 78 78 GLY HA3 H 78 3.770 4.231 -0.461 1
1 863 . 6 1 1 A 78 78 GLY C C 78 171.452 172.630 -1.178 1
1 864 . 6 1 1 A 78 78 GLY HA2 H 78 4.467 4.215 0.252 1
1 865 . 6 1 1 A 79 79 ASP N N 79 120.109 120.563 -0.454 1
1 866 . 6 1 1 A 79 79 ASP H H 79 8.070 8.516 -0.446 1
1 867 . 6 1 1 A 79 79 ASP CA C 79 54.204 54.048 0.156 1
1 868 . 6 1 1 A 79 79 ASP HA H 79 5.344 5.024 0.320 1
1 869 . 6 1 1 A 79 79 ASP CB C 79 42.148 40.343 1.805 1
1 871 . 6 1 1 A 79 79 ASP C C 79 175.474 175.177 0.297 1
1 873 . 6 1 1 A 80 80 TYR N N 80 121.969 125.322 -3.353 1
1 874 . 6 1 1 A 80 80 TYR H H 80 9.412 9.333 0.079 1
1 875 . 6 1 1 A 80 80 TYR CA C 80 56.872 58.301 -1.429 1
1 876 . 6 1 1 A 80 80 TYR HA H 80 4.821 4.742 0.079 1
1 877 . 6 1 1 A 80 80 TYR CB C 80 41.557 39.901 1.656 1
1 887 . 6 1 1 A 80 80 TYR C C 80 175.552 176.043 -0.491 1
1 889 . 6 1 1 A 81 81 VAL N N 81 121.669 122.073 -0.404 1
1 890 . 6 1 1 A 81 81 VAL H H 81 8.688 8.307 0.381 1
1 891 . 6 1 1 A 81 81 VAL CA C 81 61.217 61.231 -0.014 1
1 892 . 6 1 1 A 81 81 VAL HA H 81 4.606 4.685 -0.079 1
1 893 . 6 1 1 A 81 81 VAL CB C 81 33.990 33.259 0.731 1
1 903 . 6 1 1 A 81 81 VAL C C 81 173.568 174.350 -0.782 1
1 904 . 6 1 1 A 82 82 LEU N N 82 129.806 130.613 -0.807 1
1 905 . 6 1 1 A 82 82 LEU H H 82 8.873 8.538 0.335 1
1 906 . 6 1 1 A 82 82 LEU CA C 82 53.321 54.088 -0.767 1
1 907 . 6 1 1 A 82 82 LEU HA H 82 5.150 4.856 0.294 1
1 908 . 6 1 1 A 82 82 LEU CB C 82 44.594 43.226 1.368 1
1 920 . 6 1 1 A 82 82 LEU C C 82 174.427 174.793 -0.366 1
1 922 . 6 1 1 A 83 83 ALA N N 83 128.482 130.666 -2.184 1
1 923 . 6 1 1 A 83 83 ALA H H 83 9.294 8.994 0.300 1
1 924 . 6 1 1 A 83 83 ALA CA C 83 50.133 50.385 -0.252 1
1 925 . 6 1 1 A 83 83 ALA HA H 83 5.081 5.081 0.000 1
1 926 . 6 1 1 A 83 83 ALA CB C 83 21.500 20.354 1.146 1
1 930 . 6 1 1 A 83 83 ALA C C 83 174.991 175.939 -0.948 1
1 931 . 6 1 1 A 84 84 VAL N N 84 121.691 123.777 -2.086 1
1 932 . 6 1 1 A 84 84 VAL H H 84 9.222 9.085 0.137 1
1 933 . 6 1 1 A 84 84 VAL CA C 84 61.324 61.276 0.048 1
1 934 . 6 1 1 A 84 84 VAL HA H 84 4.785 4.778 0.007 1
1 935 . 6 1 1 A 84 84 VAL CB C 84 34.116 33.585 0.531 1
1 945 . 6 1 1 A 84 84 VAL C C 84 174.156 174.994 -0.838 1
1 946 . 6 1 1 A 85 85 LYS N N 85 124.020 126.653 -2.633 1
1 947 . 6 1 1 A 85 85 LYS H H 85 9.193 8.885 0.308 1
1 948 . 6 1 1 A 85 85 LYS CA C 85 54.222 54.857 -0.635 1
1 949 . 6 1 1 A 85 85 LYS HA H 85 4.958 5.179 -0.221 1
1 950 . 6 1 1 A 85 85 LYS CB C 85 34.814 35.045 -0.231 1
1 958 . 6 1 1 A 85 85 LYS C C 85 173.704 175.244 -1.540 1
1 963 . 6 1 1 A 86 86 TRP N N 86 123.429 124.314 -0.885 1
1 964 . 6 1 1 A 86 86 TRP H H 86 8.623 9.125 -0.502 1
1 965 . 6 1 1 A 86 86 TRP CA C 86 53.803 56.579 -2.776 1
1 966 . 6 1 1 A 86 86 TRP HA H 86 5.583 4.881 0.702 1
1 967 . 6 1 1 A 86 86 TRP CB C 86 32.084 31.196 0.888 1
1 981 . 6 1 1 A 86 86 TRP C C 86 176.916 175.770 1.146 1
1 983 . 6 1 1 A 87 87 GLY N N 87 116.722 114.872 1.850 1
1 984 . 6 1 1 A 87 87 GLY H H 87 8.782 8.494 0.288 1
1 985 . 6 1 1 A 87 87 GLY CA C 87 46.432 46.690 -0.258 1
1 986 . 6 1 1 A 87 87 GLY HA3 H 87 3.152 3.619 -0.467 1
1 987 . 6 1 1 A 87 87 GLY C C 87 173.838 174.090 -0.252 1
1 988 . 6 1 1 A 87 87 GLY HA2 H 87 3.732 3.391 0.341 1
1 989 . 6 1 1 A 88 88 GLU N N 88 122.405 110.554 11.851 1
1 990 . 6 1 1 A 88 88 GLU H H 88 8.592 8.434 0.158 1
1 991 . 6 1 1 A 88 88 GLU CA C 88 56.004 57.733 -1.729 1
1 992 . 6 1 1 A 88 88 GLU HA H 88 4.057 3.843 0.214 1
1 993 . 6 1 1 A 88 88 GLU CB C 88 29.764 27.346 2.418 1
1 997 . 6 1 1 A 88 88 GLU C C 88 176.465 174.877 1.588 1
1 1000 . 6 1 1 A 89 89 GLU N N 89 117.358 117.399 -0.041 1
1 1001 . 6 1 1 A 89 89 GLU H H 89 7.226 7.595 -0.369 1
1 1002 . 6 1 1 A 89 89 GLU CA C 89 54.921 54.823 0.098 1
1 1003 . 6 1 1 A 89 89 GLU HA H 89 4.580 5.119 -0.539 1
1 1004 . 6 1 1 A 89 89 GLU CB C 89 33.160 34.461 -1.301 1
1 1008 . 6 1 1 A 89 89 GLU C C 89 175.674 174.983 0.691 1
1 1011 . 6 1 1 A 90 90 HIS N N 90 122.210 116.441 5.769 1
1 1012 . 6 1 1 A 90 90 HIS H H 90 8.603 8.852 -0.249 1
1 1013 . 6 1 1 A 90 90 HIS CA C 90 58.321 54.408 3.913 1
1 1014 . 6 1 1 A 90 90 HIS HA H 90 4.343 5.185 -0.842 1
1 1015 . 6 1 1 A 90 90 HIS CB C 90 32.786 31.883 0.903 1
1 1021 . 6 1 1 A 90 90 HIS C C 90 177.001 175.308 1.693 1
1 1023 . 6 1 1 A 91 91 ILE N N 91 117.760 122.469 -4.709 1
1 1024 . 6 1 1 A 91 91 ILE H H 91 8.289 8.239 0.050 1
1 1025 . 6 1 1 A 91 91 ILE CA C 91 61.019 60.254 0.765 1
1 1026 . 6 1 1 A 91 91 ILE HA H 91 4.482 4.255 0.227 1
1 1027 . 6 1 1 A 91 91 ILE CB C 91 35.655 37.869 -2.214 1
1 1039 . 6 1 1 A 91 91 ILE C C 91 173.231 175.454 -2.223 1
1 1041 . 6 1 1 A 92 92 PRO CA C 92 65.378 63.486 1.892 1
1 1042 . 6 1 1 A 92 92 PRO HA H 92 4.207 4.330 -0.123 1
1 1043 . 6 1 1 A 92 92 PRO CB C 92 31.301 31.067 0.234 1
1 1049 . 6 1 1 A 92 92 PRO C C 92 177.559 177.407 0.152 1
1 1053 . 6 1 1 A 93 93 GLY N N 93 115.174 113.222 1.952 1
1 1054 . 6 1 1 A 93 93 GLY H H 93 8.291 8.721 -0.430 1
1 1055 . 6 1 1 A 93 93 GLY CA C 93 44.729 44.873 -0.144 1
1 1056 . 6 1 1 A 93 93 GLY HA3 H 93 3.122 3.717 -0.595 1
1 1057 . 6 1 1 A 93 93 GLY C C 93 171.695 173.781 -2.086 1
1 1058 . 6 1 1 A 93 93 GLY HA2 H 93 4.116 3.601 0.515 1
1 1059 . 6 1 1 A 94 94 SER N N 94 112.948 117.005 -4.057 1
1 1060 . 6 1 1 A 94 94 SER H H 94 7.612 7.498 0.114 1
1 1061 . 6 1 1 A 94 94 SER CA C 94 54.585 55.263 -0.678 1
1 1062 . 6 1 1 A 94 94 SER HA H 94 4.002 4.723 -0.721 1
1 1063 . 6 1 1 A 94 94 SER CB C 94 62.348 64.841 -2.493 1
1 1065 . 6 1 1 A 94 94 SER C C 94 174.321 172.606 1.715 1
1 1067 . 6 1 1 A 95 95 PRO CA C 95 62.338 62.836 -0.498 1
1 1068 . 6 1 1 A 95 95 PRO HA H 95 5.296 4.837 0.459 1
1 1069 . 6 1 1 A 95 95 PRO CB C 95 33.730 32.681 1.049 1
1 1075 . 6 1 1 A 95 95 PRO C C 95 175.728 177.046 -1.318 1
1 1079 . 6 1 1 A 96 96 PHE N N 96 124.415 121.337 3.078 1
1 1080 . 6 1 1 A 96 96 PHE H H 96 9.643 8.598 1.045 1
1 1081 . 6 1 1 A 96 96 PHE CA C 96 57.405 57.964 -0.559 1
1 1082 . 6 1 1 A 96 96 PHE HA H 96 4.474 4.900 -0.426 1
1 1083 . 6 1 1 A 96 96 PHE CB C 96 40.160 39.840 0.320 1
1 1095 . 6 1 1 A 96 96 PHE C C 96 175.736 175.411 0.325 1
1 1097 . 6 1 1 A 97 97 HIS N N 97 121.364 121.924 -0.560 1
1 1098 . 6 1 1 A 97 97 HIS H H 97 8.898 8.924 -0.026 1
1 1099 . 6 1 1 A 97 97 HIS CA C 97 55.214 54.437 0.777 1
1 1100 . 6 1 1 A 97 97 HIS HA H 97 5.124 5.243 -0.119 1
1 1101 . 6 1 1 A 97 97 HIS CB C 97 29.981 31.418 -1.437 1
1 1107 . 6 1 1 A 97 97 HIS C C 97 173.895 173.421 0.474 1
1 1109 . 6 1 1 A 98 98 VAL N N 98 127.912 128.872 -0.960 1
1 1110 . 6 1 1 A 98 98 VAL H H 98 8.582 8.976 -0.394 1
1 1111 . 6 1 1 A 98 98 VAL CA C 98 61.467 61.039 0.428 1
1 1112 . 6 1 1 A 98 98 VAL HA H 98 4.096 4.862 -0.766 1
1 1113 . 6 1 1 A 98 98 VAL CB C 98 35.455 33.506 1.949 1
1 1123 . 6 1 1 A 98 98 VAL C C 98 174.874 174.878 -0.004 1
1 1124 . 6 1 1 A 99 99 THR N N 99 123.090 124.165 -1.075 1
1 1125 . 6 1 1 A 99 99 THR H H 99 8.117 8.892 -0.775 1
1 1126 . 6 1 1 A 99 99 THR CA C 99 62.031 61.691 0.340 1
1 1127 . 6 1 1 A 99 99 THR HA H 99 4.852 4.904 -0.052 1
1 1128 . 6 1 1 A 99 99 THR CB C 99 70.661 70.176 0.485 1
1 1134 . 6 1 1 A 99 99 THR C C 99 173.264 173.694 -0.430 1
1 1135 . 6 1 1 A 100 100 VAL N N 100 129.827 126.924 2.903 1
1 1136 . 6 1 1 A 100 100 VAL H H 100 8.812 8.402 0.410 1
1 1137 . 6 1 1 A 100 100 VAL CA C 100 58.577 58.626 -0.049 1
1 1138 . 6 1 1 A 100 100 VAL HA H 100 5.053 4.399 0.654 1
1 1139 . 6 1 1 A 100 100 VAL CB C 100 33.365 32.614 0.751 1
1 1149 . 6 1 1 A 100 100 VAL C C 100 174.927 174.432 0.495 1
1 1 . 7 1 1 A 6 6 SER CA C 6 58.666 57.274 1.392 1
1 2 . 7 1 1 A 6 6 SER HA H 6 4.514 4.967 -0.453 1
1 3 . 7 1 1 A 6 6 SER CB C 6 63.933 66.826 -2.893 1
1 5 . 7 1 1 A 6 6 SER C C 6 175.074 173.933 1.141 1
1 7 . 7 1 1 A 7 7 GLY N N 7 110.792 111.861 -1.069 1
1 8 . 7 1 1 A 7 7 GLY H H 7 8.450 8.546 -0.096 1
1 9 . 7 1 1 A 7 7 GLY CA C 7 45.406 47.007 -1.601 1
1 10 . 7 1 1 A 7 7 GLY HA3 H 7 4.052 3.902 0.150 1
1 11 . 7 1 1 A 7 7 GLY C C 7 174.270 174.780 -0.510 1
1 12 . 7 1 1 A 7 7 GLY HA2 H 7 4.052 3.894 0.158 1
1 13 . 7 1 1 A 8 8 SER N N 8 115.558 114.754 0.804 1
1 14 . 7 1 1 A 8 8 SER H H 8 8.274 8.022 0.252 1
1 15 . 7 1 1 A 8 8 SER CA C 8 58.332 58.691 -0.359 1
1 16 . 7 1 1 A 8 8 SER HA H 8 4.557 4.428 0.129 1
1 17 . 7 1 1 A 8 8 SER CB C 8 63.930 63.222 0.708 1
1 19 . 7 1 1 A 8 8 SER C C 8 174.064 174.420 -0.356 1
1 21 . 7 1 1 A 9 9 SER N N 9 116.801 119.432 -2.631 1
1 22 . 7 1 1 A 9 9 SER H H 9 8.227 8.568 -0.341 1
1 23 . 7 1 1 A 9 9 SER CA C 9 58.075 56.862 1.213 1
1 24 . 7 1 1 A 9 9 SER HA H 9 5.001 5.502 -0.501 1
1 25 . 7 1 1 A 9 9 SER CB C 9 64.491 64.230 0.261 1
1 27 . 7 1 1 A 9 9 SER C C 9 174.318 173.476 0.842 1
1 29 . 7 1 1 A 10 10 ASP N N 10 122.324 126.104 -3.780 1
1 30 . 7 1 1 A 10 10 ASP H H 10 8.262 8.965 -0.703 1
1 31 . 7 1 1 A 10 10 ASP CA C 10 53.833 53.239 0.594 1
1 32 . 7 1 1 A 10 10 ASP HA H 10 4.892 5.184 -0.292 1
1 33 . 7 1 1 A 10 10 ASP CB C 10 41.497 43.254 -1.757 1
1 35 . 7 1 1 A 10 10 ASP C C 10 176.306 175.938 0.368 1
1 37 . 7 1 1 A 11 11 ALA N N 11 126.255 125.174 1.081 1
1 38 . 7 1 1 A 11 11 ALA H H 11 9.091 8.757 0.334 1
1 39 . 7 1 1 A 11 11 ALA CA C 11 54.713 53.870 0.843 1
1 40 . 7 1 1 A 11 11 ALA HA H 11 4.056 4.373 -0.317 1
1 41 . 7 1 1 A 11 11 ALA CB C 11 20.177 19.170 1.007 1
1 45 . 7 1 1 A 11 11 ALA C C 11 177.950 179.614 -1.664 1
1 46 . 7 1 1 A 12 12 SER N N 12 110.658 114.292 -3.634 1
1 47 . 7 1 1 A 12 12 SER H H 12 8.224 8.034 0.190 1
1 48 . 7 1 1 A 12 12 SER CA C 12 60.857 61.577 -0.720 1
1 49 . 7 1 1 A 12 12 SER HA H 12 4.240 4.246 -0.006 1
1 50 . 7 1 1 A 12 12 SER CB C 12 62.964 63.033 -0.069 1
1 52 . 7 1 1 A 12 12 SER C C 12 175.312 175.160 0.152 1
1 54 . 7 1 1 A 13 13 LYS N N 13 119.063 118.170 0.893 1
1 55 . 7 1 1 A 13 13 LYS H H 13 7.349 7.701 -0.352 1
1 56 . 7 1 1 A 13 13 LYS CA C 13 54.948 56.957 -2.009 1
1 57 . 7 1 1 A 13 13 LYS HA H 13 4.293 4.389 -0.096 1
1 58 . 7 1 1 A 13 13 LYS CB C 13 33.037 33.441 -0.404 1
1 66 . 7 1 1 A 13 13 LYS C C 13 177.263 177.130 0.133 1
1 71 . 7 1 1 A 14 14 VAL N N 14 124.317 120.885 3.432 1
1 72 . 7 1 1 A 14 14 VAL H H 14 7.500 7.198 0.302 1
1 73 . 7 1 1 A 14 14 VAL CA C 14 63.797 63.058 0.739 1
1 74 . 7 1 1 A 14 14 VAL HA H 14 3.870 3.778 0.092 1
1 75 . 7 1 1 A 14 14 VAL CB C 14 31.996 31.402 0.594 1
1 85 . 7 1 1 A 14 14 VAL C C 14 175.873 175.435 0.438 1
1 86 . 7 1 1 A 15 15 THR N N 15 117.704 118.620 -0.916 1
1 87 . 7 1 1 A 15 15 THR H H 15 8.197 8.631 -0.434 1
1 88 . 7 1 1 A 15 15 THR CA C 15 59.805 59.514 0.291 1
1 89 . 7 1 1 A 15 15 THR HA H 15 4.911 5.407 -0.496 1
1 90 . 7 1 1 A 15 15 THR CB C 15 71.373 71.781 -0.408 1
1 96 . 7 1 1 A 15 15 THR C C 15 172.695 174.096 -1.401 1
1 97 . 7 1 1 A 16 16 SER N N 16 113.256 118.479 -5.223 1
1 98 . 7 1 1 A 16 16 SER H H 16 8.442 9.117 -0.675 1
1 99 . 7 1 1 A 16 16 SER CA C 16 57.155 56.236 0.919 1
1 100 . 7 1 1 A 16 16 SER HA H 16 5.564 5.517 0.047 1
1 101 . 7 1 1 A 16 16 SER CB C 16 66.124 66.042 0.082 1
1 103 . 7 1 1 A 16 16 SER C C 16 173.455 173.628 -0.173 1
1 105 . 7 1 1 A 17 17 LYS N N 17 117.543 120.469 -2.926 1
1 106 . 7 1 1 A 17 17 LYS H H 17 8.870 8.987 -0.117 1
1 107 . 7 1 1 A 17 17 LYS CA C 17 56.063 54.364 1.699 1
1 108 . 7 1 1 A 17 17 LYS HA H 17 4.673 5.091 -0.418 1
1 109 . 7 1 1 A 17 17 LYS CB C 17 35.602 36.526 -0.924 1
1 117 . 7 1 1 A 17 17 LYS C C 17 174.625 174.806 -0.181 1
1 122 . 7 1 1 A 18 18 GLY N N 18 110.702 107.949 2.753 1
1 123 . 7 1 1 A 18 18 GLY H H 18 8.746 8.514 0.232 1
1 124 . 7 1 1 A 18 18 GLY CA C 18 44.501 44.214 0.287 1
1 125 . 7 1 1 A 18 18 GLY HA3 H 18 3.998 4.276 -0.278 1
1 126 . 7 1 1 A 18 18 GLY C C 18 175.460 174.544 0.916 1
1 127 . 7 1 1 A 18 18 GLY HA2 H 18 4.947 4.230 0.717 1
1 128 . 7 1 1 A 19 19 ALA CA C 19 55.387 54.752 0.635 1
1 129 . 7 1 1 A 19 19 ALA HA H 19 4.229 4.158 0.071 1
1 130 . 7 1 1 A 19 19 ALA CB C 19 18.689 18.889 -0.200 1
1 134 . 7 1 1 A 19 19 ALA C C 19 179.606 179.818 -0.212 1
1 135 . 7 1 1 A 20 20 GLY N N 20 101.587 106.933 -5.346 1
1 136 . 7 1 1 A 20 20 GLY H H 20 8.466 8.299 0.167 1
1 137 . 7 1 1 A 20 20 GLY CA C 20 46.078 47.136 -1.058 1
1 138 . 7 1 1 A 20 20 GLY HA3 H 20 3.596 3.827 -0.231 1
1 139 . 7 1 1 A 20 20 GLY C C 20 173.214 176.366 -3.152 1
1 140 . 7 1 1 A 20 20 GLY HA2 H 20 4.689 3.769 0.920 1
1 141 . 7 1 1 A 21 21 LEU N N 21 115.987 122.885 -6.898 1
1 142 . 7 1 1 A 21 21 LEU H H 21 6.928 7.877 -0.949 1
1 143 . 7 1 1 A 21 21 LEU CA C 21 55.567 57.152 -1.585 1
1 144 . 7 1 1 A 21 21 LEU HA H 21 3.404 3.750 -0.346 1
1 145 . 7 1 1 A 21 21 LEU CB C 21 41.702 40.960 0.742 1
1 157 . 7 1 1 A 21 21 LEU C C 21 175.989 179.470 -3.481 1
1 159 . 7 1 1 A 22 22 SER N N 22 106.483 113.150 -6.667 1
1 160 . 7 1 1 A 22 22 SER H H 22 7.808 7.941 -0.133 1
1 161 . 7 1 1 A 22 22 SER CA C 22 58.956 60.925 -1.969 1
1 162 . 7 1 1 A 22 22 SER HA H 22 4.901 4.446 0.455 1
1 163 . 7 1 1 A 22 22 SER CB C 22 66.238 63.698 2.540 1
1 165 . 7 1 1 A 22 22 SER C C 22 174.051 174.129 -0.078 1
1 167 . 7 1 1 A 23 23 LYS N N 23 124.757 115.071 9.686 1
1 168 . 7 1 1 A 23 23 LYS H H 23 8.399 8.017 0.382 1
1 169 . 7 1 1 A 23 23 LYS CA C 23 55.676 54.876 0.800 1
1 170 . 7 1 1 A 23 23 LYS HA H 23 4.973 4.698 0.275 1
1 171 . 7 1 1 A 23 23 LYS CB C 23 36.338 36.040 0.298 1
1 179 . 7 1 1 A 23 23 LYS C C 23 173.136 174.236 -1.100 1
1 184 . 7 1 1 A 24 24 ALA N N 24 123.565 121.674 1.891 1
1 185 . 7 1 1 A 24 24 ALA H H 24 7.541 8.494 -0.953 1
1 186 . 7 1 1 A 24 24 ALA CA C 24 51.148 50.655 0.493 1
1 187 . 7 1 1 A 24 24 ALA HA H 24 4.256 5.497 -1.241 1
1 188 . 7 1 1 A 24 24 ALA CB C 24 22.019 23.919 -1.900 1
1 192 . 7 1 1 A 24 24 ALA C C 24 173.515 175.607 -2.092 1
1 193 . 7 1 1 A 25 25 PHE N N 25 114.269 114.612 -0.343 1
1 194 . 7 1 1 A 25 25 PHE H H 25 7.858 8.831 -0.973 1
1 195 . 7 1 1 A 25 25 PHE CA C 25 55.809 56.528 -0.719 1
1 196 . 7 1 1 A 25 25 PHE HA H 25 5.191 4.946 0.245 1
1 197 . 7 1 1 A 25 25 PHE CB C 25 41.943 42.842 -0.899 1
1 209 . 7 1 1 A 25 25 PHE C C 25 177.046 175.358 1.688 1
1 211 . 7 1 1 A 26 26 VAL N N 26 123.270 122.809 0.461 1
1 212 . 7 1 1 A 26 26 VAL H H 26 9.338 8.599 0.739 1
1 213 . 7 1 1 A 26 26 VAL CA C 26 65.054 65.297 -0.243 1
1 214 . 7 1 1 A 26 26 VAL HA H 26 3.441 3.689 -0.248 1
1 215 . 7 1 1 A 26 26 VAL CB C 26 31.757 31.444 0.313 1
1 225 . 7 1 1 A 26 26 VAL C C 26 178.201 177.273 0.928 1
1 226 . 7 1 1 A 27 27 GLY N N 27 112.668 115.122 -2.454 1
1 227 . 7 1 1 A 27 27 GLY H H 27 8.862 8.856 0.006 1
1 228 . 7 1 1 A 27 27 GLY CA C 27 45.857 45.303 0.554 1
1 229 . 7 1 1 A 27 27 GLY HA3 H 27 4.229 4.023 0.206 1
1 230 . 7 1 1 A 27 27 GLY C C 27 173.411 174.285 -0.874 1
1 231 . 7 1 1 A 27 27 GLY HA2 H 27 3.631 4.023 -0.392 1
1 232 . 7 1 1 A 28 28 GLN N N 28 118.568 120.522 -1.954 1
1 233 . 7 1 1 A 28 28 GLN H H 28 7.755 7.918 -0.163 1
1 234 . 7 1 1 A 28 28 GLN CA C 28 53.825 56.630 -2.805 1
1 235 . 7 1 1 A 28 28 GLN HA H 28 4.690 4.309 0.381 1
1 236 . 7 1 1 A 28 28 GLN CB C 28 30.975 30.082 0.893 1
1 243 . 7 1 1 A 28 28 GLN C C 28 175.517 174.427 1.090 1
1 246 . 7 1 1 A 29 29 LYS N N 29 123.598 123.134 0.464 1
1 247 . 7 1 1 A 29 29 LYS H H 29 8.839 8.361 0.478 1
1 248 . 7 1 1 A 29 29 LYS CA C 29 57.587 54.566 3.021 1
1 249 . 7 1 1 A 29 29 LYS HA H 29 4.158 4.813 -0.655 1
1 250 . 7 1 1 A 29 29 LYS CB C 29 32.381 34.189 -1.808 1
1 258 . 7 1 1 A 29 29 LYS C C 29 176.190 174.669 1.521 1
1 263 . 7 1 1 A 30 30 SER N N 30 124.030 125.106 -1.076 1
1 264 . 7 1 1 A 30 30 SER H H 30 8.694 8.512 0.182 1
1 265 . 7 1 1 A 30 30 SER CA C 30 57.560 58.247 -0.687 1
1 266 . 7 1 1 A 30 30 SER HA H 30 4.758 4.931 -0.173 1
1 267 . 7 1 1 A 30 30 SER CB C 30 64.143 63.924 0.219 1
1 269 . 7 1 1 A 30 30 SER C C 30 173.413 173.601 -0.188 1
1 271 . 7 1 1 A 31 31 SER N N 31 116.828 118.781 -1.953 1
1 272 . 7 1 1 A 31 31 SER H H 31 8.894 8.657 0.237 1
1 273 . 7 1 1 A 31 31 SER CA C 31 57.132 55.586 1.546 1
1 274 . 7 1 1 A 31 31 SER HA H 31 6.181 5.353 0.828 1
1 275 . 7 1 1 A 31 31 SER CB C 31 67.745 66.398 1.347 1
1 277 . 7 1 1 A 31 31 SER C C 31 174.171 173.612 0.559 1
1 279 . 7 1 1 A 32 32 PHE N N 32 117.724 116.742 0.982 1
1 280 . 7 1 1 A 32 32 PHE H H 32 8.853 8.276 0.577 1
1 281 . 7 1 1 A 32 32 PHE CA C 32 57.190 56.158 1.032 1
1 282 . 7 1 1 A 32 32 PHE HA H 32 5.016 5.110 -0.094 1
1 283 . 7 1 1 A 32 32 PHE CB C 32 40.712 41.337 -0.625 1
1 295 . 7 1 1 A 32 32 PHE C C 32 170.765 172.072 -1.307 1
1 297 . 7 1 1 A 33 33 LEU N N 33 121.533 123.127 -1.594 1
1 298 . 7 1 1 A 33 33 LEU H H 33 9.223 8.773 0.450 1
1 299 . 7 1 1 A 33 33 LEU CA C 33 53.636 53.419 0.217 1
1 300 . 7 1 1 A 33 33 LEU HA H 33 5.531 5.296 0.235 1
1 301 . 7 1 1 A 33 33 LEU CB C 33 46.278 45.645 0.633 1
1 313 . 7 1 1 A 33 33 LEU C C 33 176.559 174.325 2.234 1
1 315 . 7 1 1 A 34 34 VAL N N 34 123.140 126.004 -2.864 1
1 316 . 7 1 1 A 34 34 VAL H H 34 9.257 8.448 0.809 1
1 317 . 7 1 1 A 34 34 VAL CA C 34 61.182 60.834 0.348 1
1 318 . 7 1 1 A 34 34 VAL HA H 34 4.785 4.965 -0.180 1
1 319 . 7 1 1 A 34 34 VAL CB C 34 34.589 34.840 -0.251 1
1 329 . 7 1 1 A 34 34 VAL C C 34 174.370 173.652 0.718 1
1 330 . 7 1 1 A 35 35 ASP N N 35 126.353 127.340 -0.987 1
1 331 . 7 1 1 A 35 35 ASP H H 35 9.312 9.135 0.177 1
1 332 . 7 1 1 A 35 35 ASP CA C 35 53.298 52.616 0.682 1
1 333 . 7 1 1 A 35 35 ASP HA H 35 5.229 5.071 0.158 1
1 334 . 7 1 1 A 35 35 ASP CB C 35 41.538 42.213 -0.675 1
1 336 . 7 1 1 A 35 35 ASP C C 35 176.980 176.148 0.832 1
1 338 . 7 1 1 A 36 36 CYS N N 36 125.342 125.328 0.014 1
1 339 . 7 1 1 A 36 36 CYS H H 36 9.275 8.374 0.901 1
1 340 . 7 1 1 A 36 36 CYS CA C 36 57.367 58.252 -0.885 1
1 341 . 7 1 1 A 36 36 CYS HA H 36 4.374 4.534 -0.160 1
1 342 . 7 1 1 A 36 36 CYS CB C 36 28.369 27.823 0.546 1
1 344 . 7 1 1 A 36 36 CYS C C 36 177.015 174.746 2.269 1
1 346 . 7 1 1 A 37 37 SER N N 37 119.973 118.196 1.777 1
1 347 . 7 1 1 A 37 37 SER H H 37 9.039 7.802 1.237 1
1 348 . 7 1 1 A 37 37 SER CA C 37 62.787 62.092 0.695 1
1 349 . 7 1 1 A 37 37 SER HA H 37 3.932 4.048 -0.116 1
1 350 . 7 1 1 A 37 37 SER CB C 37 62.982 62.843 0.139 1
1 352 . 7 1 1 A 37 37 SER C C 37 176.290 176.603 -0.313 1
1 354 . 7 1 1 A 38 38 LYS N N 38 120.815 121.053 -0.238 1
1 355 . 7 1 1 A 38 38 LYS H H 38 8.676 7.974 0.702 1
1 356 . 7 1 1 A 38 38 LYS CA C 38 55.123 58.152 -3.029 1
1 357 . 7 1 1 A 38 38 LYS HA H 38 4.730 4.210 0.520 1
1 358 . 7 1 1 A 38 38 LYS CB C 38 32.250 32.302 -0.052 1
1 366 . 7 1 1 A 38 38 LYS C C 38 176.385 179.157 -2.772 1
1 371 . 7 1 1 A 39 39 ALA N N 39 121.594 121.294 0.300 1
1 372 . 7 1 1 A 39 39 ALA H H 39 7.322 7.911 -0.589 1
1 373 . 7 1 1 A 39 39 ALA CA C 39 52.127 54.740 -2.613 1
1 374 . 7 1 1 A 39 39 ALA HA H 39 4.436 4.103 0.333 1
1 375 . 7 1 1 A 39 39 ALA CB C 39 21.347 19.570 1.777 1
1 379 . 7 1 1 A 39 39 ALA C C 39 177.453 177.764 -0.311 1
1 380 . 7 1 1 A 40 40 GLY N N 40 111.873 103.562 8.311 1
1 381 . 7 1 1 A 40 40 GLY H H 40 8.755 7.560 1.195 1
1 382 . 7 1 1 A 40 40 GLY CA C 40 45.619 46.056 -0.437 1
1 383 . 7 1 1 A 40 40 GLY HA3 H 40 4.329 4.289 0.040 1
1 384 . 7 1 1 A 40 40 GLY C C 40 173.801 172.194 1.607 1
1 385 . 7 1 1 A 40 40 GLY HA2 H 40 3.754 4.246 -0.492 1
1 386 . 7 1 1 A 41 41 SER N N 41 117.149 116.363 0.786 1
1 387 . 7 1 1 A 41 41 SER H H 41 8.524 8.472 0.052 1
1 388 . 7 1 1 A 41 41 SER CA C 41 56.849 57.819 -0.970 1
1 389 . 7 1 1 A 41 41 SER HA H 41 5.010 5.250 -0.240 1
1 390 . 7 1 1 A 41 41 SER CB C 41 63.917 65.511 -1.594 1
1 392 . 7 1 1 A 41 41 SER C C 41 172.603 172.369 0.234 1
1 394 . 7 1 1 A 42 42 ASN N N 42 125.590 121.897 3.693 1
1 395 . 7 1 1 A 42 42 ASN H H 42 7.155 9.035 -1.880 1
1 396 . 7 1 1 A 42 42 ASN CA C 42 50.805 51.769 -0.964 1
1 397 . 7 1 1 A 42 42 ASN HA H 42 3.256 4.886 -1.630 1
1 398 . 7 1 1 A 42 42 ASN CB C 42 39.354 41.592 -2.238 1
1 403 . 7 1 1 A 42 42 ASN C C 42 170.908 173.308 -2.400 1
1 405 . 7 1 1 A 43 43 MET N N 43 115.129 119.149 -4.020 1
1 406 . 7 1 1 A 43 43 MET H H 43 8.366 8.255 0.111 1
1 407 . 7 1 1 A 43 43 MET CA C 43 53.424 53.318 0.106 1
1 408 . 7 1 1 A 43 43 MET HA H 43 4.102 5.100 -0.998 1
1 409 . 7 1 1 A 43 43 MET CB C 43 35.572 34.059 1.513 1
1 417 . 7 1 1 A 43 43 MET C C 43 173.140 174.390 -1.250 1
1 420 . 7 1 1 A 44 44 LEU N N 44 128.038 125.606 2.432 1
1 421 . 7 1 1 A 44 44 LEU H H 44 8.300 8.575 -0.275 1
1 422 . 7 1 1 A 44 44 LEU CA C 44 53.806 53.577 0.229 1
1 423 . 7 1 1 A 44 44 LEU HA H 44 5.331 5.118 0.213 1
1 424 . 7 1 1 A 44 44 LEU CB C 44 43.598 43.769 -0.171 1
1 436 . 7 1 1 A 44 44 LEU C C 44 175.236 175.873 -0.637 1
1 438 . 7 1 1 A 45 45 LEU N N 45 126.999 122.426 4.573 1
1 439 . 7 1 1 A 45 45 LEU H H 45 9.109 9.036 0.073 1
1 440 . 7 1 1 A 45 45 LEU CA C 45 54.800 52.498 2.302 1
1 441 . 7 1 1 A 45 45 LEU HA H 45 5.135 5.359 -0.224 1
1 442 . 7 1 1 A 45 45 LEU CB C 45 45.499 45.825 -0.326 1
1 454 . 7 1 1 A 45 45 LEU C C 45 175.167 175.331 -0.164 1
1 456 . 7 1 1 A 46 46 ILE N N 46 118.172 120.000 -1.828 1
1 457 . 7 1 1 A 46 46 ILE H H 46 7.966 8.804 -0.838 1
1 458 . 7 1 1 A 46 46 ILE CA C 46 58.091 59.417 -1.326 1
1 459 . 7 1 1 A 46 46 ILE HA H 46 5.412 5.080 0.332 1
1 460 . 7 1 1 A 46 46 ILE CB C 46 41.988 42.156 -0.168 1
1 472 . 7 1 1 A 46 46 ILE C C 46 174.748 175.549 -0.801 1
1 474 . 7 1 1 A 47 47 GLY N N 47 110.148 115.206 -5.058 1
1 475 . 7 1 1 A 47 47 GLY H H 47 8.554 8.413 0.141 1
1 476 . 7 1 1 A 47 47 GLY CA C 47 46.136 46.195 -0.059 1
1 477 . 7 1 1 A 47 47 GLY HA3 H 47 4.604 4.215 0.389 1
1 478 . 7 1 1 A 47 47 GLY C C 47 171.583 173.039 -1.456 1
1 479 . 7 1 1 A 47 47 GLY HA2 H 47 3.933 4.211 -0.278 1
1 480 . 7 1 1 A 48 48 VAL N N 48 120.434 118.302 2.132 1
1 481 . 7 1 1 A 48 48 VAL H H 48 9.048 7.669 1.379 1
1 482 . 7 1 1 A 48 48 VAL CA C 48 61.060 62.242 -1.182 1
1 483 . 7 1 1 A 48 48 VAL HA H 48 5.143 4.112 1.031 1
1 484 . 7 1 1 A 48 48 VAL CB C 48 34.976 32.013 2.963 1
1 494 . 7 1 1 A 48 48 VAL C C 48 175.260 175.842 -0.582 1
1 495 . 7 1 1 A 49 49 HIS N N 49 127.718 121.105 6.613 1
1 496 . 7 1 1 A 49 49 HIS H H 49 9.556 8.881 0.675 1
1 497 . 7 1 1 A 49 49 HIS CA C 49 55.342 55.530 -0.188 1
1 498 . 7 1 1 A 49 49 HIS HA H 49 4.987 4.663 0.324 1
1 499 . 7 1 1 A 49 49 HIS CB C 49 34.476 30.803 3.673 1
1 505 . 7 1 1 A 49 49 HIS C C 49 173.822 175.326 -1.504 1
1 507 . 7 1 1 A 50 50 GLY N N 50 115.577 106.547 9.030 1
1 508 . 7 1 1 A 50 50 GLY H H 50 8.192 8.500 -0.308 1
1 509 . 7 1 1 A 50 50 GLY CA C 50 44.693 45.708 -1.015 1
1 510 . 7 1 1 A 50 50 GLY HA3 H 50 3.247 4.201 -0.954 1
1 511 . 7 1 1 A 50 50 GLY C C 50 171.437 173.530 -2.093 1
1 512 . 7 1 1 A 50 50 GLY HA2 H 50 3.722 4.127 -0.405 1
1 513 . 7 1 1 A 51 51 PRO CA C 51 64.376 65.133 -0.757 1
1 514 . 7 1 1 A 51 51 PRO HA H 51 4.104 4.320 -0.216 1
1 515 . 7 1 1 A 51 51 PRO CB C 51 32.141 31.898 0.243 1
1 521 . 7 1 1 A 51 51 PRO C C 51 177.607 177.888 -0.281 1
1 525 . 7 1 1 A 52 52 THR N N 52 109.088 109.693 -0.605 1
1 526 . 7 1 1 A 52 52 THR H H 52 8.447 8.237 0.210 1
1 527 . 7 1 1 A 52 52 THR CA C 52 62.861 63.577 -0.716 1
1 528 . 7 1 1 A 52 52 THR HA H 52 4.424 4.679 -0.255 1
1 529 . 7 1 1 A 52 52 THR CB C 52 70.329 71.486 -1.157 1
1 535 . 7 1 1 A 52 52 THR C C 52 174.926 173.872 1.054 1
1 536 . 7 1 1 A 53 53 THR N N 53 118.915 110.783 8.132 1
1 537 . 7 1 1 A 53 53 THR H H 53 7.983 7.826 0.157 1
1 538 . 7 1 1 A 53 53 THR CA C 53 59.878 59.044 0.834 1
1 539 . 7 1 1 A 53 53 THR HA H 53 4.751 4.701 0.050 1
1 540 . 7 1 1 A 53 53 THR CB C 53 71.034 69.798 1.236 1
1 546 . 7 1 1 A 53 53 THR C C 53 172.019 173.003 -0.984 1
1 547 . 7 1 1 A 54 54 PRO CA C 54 62.614 62.083 0.531 1
1 548 . 7 1 1 A 54 54 PRO HA H 54 4.629 4.391 0.238 1
1 549 . 7 1 1 A 54 54 PRO CB C 54 32.845 32.618 0.227 1
1 555 . 7 1 1 A 54 54 PRO C C 54 177.751 176.129 1.622 1
1 559 . 7 1 1 A 55 55 CYS N N 55 121.538 120.536 1.002 1
1 560 . 7 1 1 A 55 55 CYS H H 55 8.938 8.368 0.570 1
1 561 . 7 1 1 A 55 55 CYS CA C 55 60.342 58.854 1.488 1
1 562 . 7 1 1 A 55 55 CYS HA H 55 4.563 4.627 -0.064 1
1 563 . 7 1 1 A 55 55 CYS CB C 55 27.534 28.526 -0.992 1
1 565 . 7 1 1 A 55 55 CYS C C 55 174.437 175.820 -1.383 1
1 567 . 7 1 1 A 56 56 GLU N N 56 124.530 123.622 0.908 1
1 568 . 7 1 1 A 56 56 GLU H H 56 8.450 8.586 -0.136 1
1 569 . 7 1 1 A 56 56 GLU CA C 56 59.363 59.114 0.249 1
1 570 . 7 1 1 A 56 56 GLU HA H 56 4.471 4.221 0.250 1
1 571 . 7 1 1 A 56 56 GLU CB C 56 31.217 30.512 0.705 1
1 575 . 7 1 1 A 56 56 GLU C C 56 176.847 176.617 0.230 1
1 578 . 7 1 1 A 57 57 GLU N N 57 114.661 114.205 0.456 1
1 579 . 7 1 1 A 57 57 GLU H H 57 7.478 7.750 -0.272 1
1 580 . 7 1 1 A 57 57 GLU CA C 57 55.551 55.482 0.069 1
1 581 . 7 1 1 A 57 57 GLU HA H 57 5.414 4.693 0.721 1
1 582 . 7 1 1 A 57 57 GLU CB C 57 34.084 31.625 2.459 1
1 586 . 7 1 1 A 57 57 GLU C C 57 174.400 173.852 0.548 1
1 589 . 7 1 1 A 58 58 VAL N N 58 123.611 119.967 3.644 1
1 590 . 7 1 1 A 58 58 VAL H H 58 8.605 8.428 0.177 1
1 591 . 7 1 1 A 58 58 VAL CA C 58 62.048 61.451 0.597 1
1 592 . 7 1 1 A 58 58 VAL HA H 58 4.941 4.759 0.182 1
1 593 . 7 1 1 A 58 58 VAL CB C 58 35.700 34.624 1.076 1
1 603 . 7 1 1 A 58 58 VAL C C 58 174.426 174.291 0.135 1
1 604 . 7 1 1 A 59 59 SER N N 59 121.592 123.677 -2.085 1
1 605 . 7 1 1 A 59 59 SER H H 59 9.635 9.246 0.389 1
1 606 . 7 1 1 A 59 59 SER CA C 59 57.012 56.808 0.204 1
1 607 . 7 1 1 A 59 59 SER HA H 59 5.526 4.890 0.636 1
1 608 . 7 1 1 A 59 59 SER CB C 59 65.896 64.102 1.794 1
1 610 . 7 1 1 A 59 59 SER C C 59 172.465 173.231 -0.766 1
1 612 . 7 1 1 A 60 60 MET N N 60 122.508 127.704 -5.196 1
1 613 . 7 1 1 A 60 60 MET H H 60 9.435 9.128 0.307 1
1 614 . 7 1 1 A 60 60 MET CA C 60 54.541 53.897 0.644 1
1 615 . 7 1 1 A 60 60 MET HA H 60 5.352 5.642 -0.290 1
1 616 . 7 1 1 A 60 60 MET CB C 60 37.420 34.413 3.007 1
1 624 . 7 1 1 A 60 60 MET C C 60 174.616 175.499 -0.883 1
1 627 . 7 1 1 A 61 61 LYS N N 61 125.580 123.998 1.582 1
1 628 . 7 1 1 A 61 61 LYS H H 61 8.963 8.894 0.069 1
1 629 . 7 1 1 A 61 61 LYS CA C 61 54.688 54.965 -0.277 1
1 630 . 7 1 1 A 61 61 LYS HA H 61 5.396 4.912 0.484 1
1 631 . 7 1 1 A 61 61 LYS CB C 61 36.412 36.330 0.082 1
1 639 . 7 1 1 A 61 61 LYS C C 61 175.548 175.150 0.398 1
1 644 . 7 1 1 A 62 62 HIS N N 62 125.822 124.742 1.080 1
1 645 . 7 1 1 A 62 62 HIS H H 62 8.967 8.926 0.041 1
1 646 . 7 1 1 A 62 62 HIS CA C 62 55.674 54.076 1.598 1
1 647 . 7 1 1 A 62 62 HIS HA H 62 4.621 4.745 -0.124 1
1 648 . 7 1 1 A 62 62 HIS CB C 62 29.732 28.529 1.203 1
1 654 . 7 1 1 A 62 62 HIS C C 62 175.912 174.921 0.991 1
1 656 . 7 1 1 A 63 63 VAL N N 63 124.131 123.907 0.224 1
1 657 . 7 1 1 A 63 63 VAL H H 63 8.633 7.828 0.805 1
1 658 . 7 1 1 A 63 63 VAL CA C 63 61.288 64.297 -3.009 1
1 659 . 7 1 1 A 63 63 VAL HA H 63 4.299 3.637 0.662 1
1 660 . 7 1 1 A 63 63 VAL CB C 63 30.964 32.386 -1.422 1
1 670 . 7 1 1 A 63 63 VAL C C 63 175.339 175.356 -0.017 1
1 671 . 7 1 1 A 64 64 GLY N N 64 108.087 109.804 -1.717 1
1 672 . 7 1 1 A 64 64 GLY H H 64 5.406 6.862 -1.456 1
1 673 . 7 1 1 A 64 64 GLY CA C 64 44.979 43.301 1.678 1
1 674 . 7 1 1 A 64 64 GLY HA3 H 64 3.118 3.747 -0.629 1
1 675 . 7 1 1 A 64 64 GLY C C 64 174.125 173.596 0.529 1
1 676 . 7 1 1 A 64 64 GLY HA2 H 64 4.287 3.089 1.198 1
1 677 . 7 1 1 A 65 65 ASN N N 65 118.292 117.799 0.493 1
1 678 . 7 1 1 A 65 65 ASN H H 65 9.260 9.307 -0.047 1
1 679 . 7 1 1 A 65 65 ASN CA C 65 54.643 54.521 0.122 1
1 680 . 7 1 1 A 65 65 ASN HA H 65 4.401 4.411 -0.010 1
1 681 . 7 1 1 A 65 65 ASN CB C 65 37.695 36.879 0.816 1
1 686 . 7 1 1 A 65 65 ASN C C 65 174.079 174.700 -0.621 1
1 688 . 7 1 1 A 66 66 GLN N N 66 111.325 109.052 2.273 1
1 689 . 7 1 1 A 66 66 GLN H H 66 10.512 8.602 1.910 1
1 690 . 7 1 1 A 66 66 GLN CA C 66 57.009 57.310 -0.301 1
1 691 . 7 1 1 A 66 66 GLN HA H 66 3.713 3.918 -0.205 1
1 692 . 7 1 1 A 66 66 GLN CB C 66 24.986 26.708 -1.722 1
1 699 . 7 1 1 A 66 66 GLN C C 66 173.896 174.269 -0.373 1
1 702 . 7 1 1 A 67 67 GLN N N 67 115.692 117.437 -1.745 1
1 703 . 7 1 1 A 67 67 GLN H H 67 7.492 7.665 -0.173 1
1 704 . 7 1 1 A 67 67 GLN CA C 67 54.496 54.730 -0.234 1
1 705 . 7 1 1 A 67 67 GLN HA H 67 5.400 5.075 0.325 1
1 706 . 7 1 1 A 67 67 GLN CB C 67 29.896 31.110 -1.214 1
1 713 . 7 1 1 A 67 67 GLN C C 67 175.043 174.118 0.925 1
1 716 . 7 1 1 A 68 68 TYR N N 68 121.249 122.138 -0.889 1
1 717 . 7 1 1 A 68 68 TYR H H 68 9.573 9.109 0.464 1
1 718 . 7 1 1 A 68 68 TYR CA C 68 56.443 56.864 -0.421 1
1 719 . 7 1 1 A 68 68 TYR HA H 68 5.417 5.148 0.269 1
1 720 . 7 1 1 A 68 68 TYR CB C 68 41.249 40.605 0.644 1
1 730 . 7 1 1 A 68 68 TYR C C 68 174.846 174.654 0.192 1
1 732 . 7 1 1 A 69 69 ASN N N 69 122.429 123.795 -1.366 1
1 733 . 7 1 1 A 69 69 ASN H H 69 9.354 9.452 -0.098 1
1 734 . 7 1 1 A 69 69 ASN CA C 69 52.454 52.903 -0.449 1
1 735 . 7 1 1 A 69 69 ASN HA H 69 5.260 4.793 0.467 1
1 736 . 7 1 1 A 69 69 ASN CB C 69 40.922 39.673 1.249 1
1 741 . 7 1 1 A 69 69 ASN C C 69 174.835 173.995 0.840 1
1 743 . 7 1 1 A 70 70 VAL N N 70 131.599 126.539 5.060 1
1 744 . 7 1 1 A 70 70 VAL H H 70 9.157 8.347 0.810 1
1 745 . 7 1 1 A 70 70 VAL CA C 70 60.900 61.215 -0.315 1
1 746 . 7 1 1 A 70 70 VAL HA H 70 4.910 4.843 0.067 1
1 747 . 7 1 1 A 70 70 VAL CB C 70 31.882 33.143 -1.261 1
1 757 . 7 1 1 A 70 70 VAL C C 70 174.368 174.454 -0.086 1
1 758 . 7 1 1 A 71 71 THR N N 71 119.213 123.289 -4.076 1
1 759 . 7 1 1 A 71 71 THR H H 71 8.996 8.999 -0.003 1
1 760 . 7 1 1 A 71 71 THR CA C 71 59.796 61.514 -1.718 1
1 761 . 7 1 1 A 71 71 THR HA H 71 5.614 5.177 0.437 1
1 762 . 7 1 1 A 71 71 THR CB C 71 72.339 70.811 1.528 1
1 768 . 7 1 1 A 71 71 THR C C 71 173.260 173.376 -0.116 1
1 769 . 7 1 1 A 72 72 TYR N N 72 121.105 121.733 -0.628 1
1 770 . 7 1 1 A 72 72 TYR H H 72 9.200 8.678 0.522 1
1 771 . 7 1 1 A 72 72 TYR CA C 72 56.112 55.518 0.594 1
1 772 . 7 1 1 A 72 72 TYR HA H 72 5.600 5.564 0.036 1
1 773 . 7 1 1 A 72 72 TYR CB C 72 41.878 42.066 -0.188 1
1 783 . 7 1 1 A 72 72 TYR C C 72 173.176 173.343 -0.167 1
1 785 . 7 1 1 A 73 73 VAL N N 73 118.799 119.614 -0.815 1
1 786 . 7 1 1 A 73 73 VAL H H 73 8.214 8.747 -0.533 1
1 787 . 7 1 1 A 73 73 VAL CA C 73 61.111 61.522 -0.411 1
1 788 . 7 1 1 A 73 73 VAL HA H 73 4.514 4.853 -0.339 1
1 789 . 7 1 1 A 73 73 VAL CB C 73 35.729 34.745 0.984 1
1 799 . 7 1 1 A 73 73 VAL C C 73 175.529 174.937 0.592 1
1 800 . 7 1 1 A 74 74 VAL N N 74 121.061 124.926 -3.865 1
1 801 . 7 1 1 A 74 74 VAL H H 74 8.947 8.766 0.181 1
1 802 . 7 1 1 A 74 74 VAL CA C 74 59.858 61.124 -1.266 1
1 803 . 7 1 1 A 74 74 VAL HA H 74 4.785 4.742 0.043 1
1 804 . 7 1 1 A 74 74 VAL CB C 74 32.795 32.733 0.062 1
1 814 . 7 1 1 A 74 74 VAL C C 74 176.022 176.367 -0.345 1
1 815 . 7 1 1 A 75 75 LYS N N 75 120.273 125.728 -5.455 1
1 816 . 7 1 1 A 75 75 LYS H H 75 9.404 9.016 0.388 1
1 817 . 7 1 1 A 75 75 LYS CA C 75 55.705 56.468 -0.763 1
1 818 . 7 1 1 A 75 75 LYS HA H 75 4.653 4.508 0.145 1
1 819 . 7 1 1 A 75 75 LYS CB C 75 34.767 32.755 2.012 1
1 827 . 7 1 1 A 75 75 LYS C C 75 175.025 175.832 -0.807 1
1 832 . 7 1 1 A 76 76 GLU N N 76 117.540 119.702 -2.162 1
1 833 . 7 1 1 A 76 76 GLU H H 76 7.224 7.794 -0.570 1
1 834 . 7 1 1 A 76 76 GLU CA C 76 54.893 55.509 -0.616 1
1 835 . 7 1 1 A 76 76 GLU HA H 76 4.747 4.831 -0.084 1
1 836 . 7 1 1 A 76 76 GLU CB C 76 33.199 33.576 -0.377 1
1 840 . 7 1 1 A 76 76 GLU C C 76 175.664 174.534 1.130 1
1 843 . 7 1 1 A 77 77 ARG N N 77 125.564 121.455 4.109 1
1 844 . 7 1 1 A 77 77 ARG H H 77 8.906 8.596 0.310 1
1 845 . 7 1 1 A 77 77 ARG CA C 77 56.610 54.543 2.067 1
1 846 . 7 1 1 A 77 77 ARG HA H 77 4.234 4.960 -0.726 1
1 847 . 7 1 1 A 77 77 ARG CB C 77 31.036 32.489 -1.453 1
1 855 . 7 1 1 A 77 77 ARG C C 77 174.779 175.467 -0.688 1
1 859 . 7 1 1 A 78 78 GLY N N 78 108.773 107.555 1.218 1
1 860 . 7 1 1 A 78 78 GLY H H 78 8.928 8.168 0.760 1
1 861 . 7 1 1 A 78 78 GLY CA C 78 44.418 43.895 0.523 1
1 862 . 7 1 1 A 78 78 GLY HA3 H 78 3.770 4.241 -0.471 1
1 863 . 7 1 1 A 78 78 GLY C C 78 171.452 172.892 -1.440 1
1 864 . 7 1 1 A 78 78 GLY HA2 H 78 4.467 4.210 0.257 1
1 865 . 7 1 1 A 79 79 ASP N N 79 120.109 120.783 -0.674 1
1 866 . 7 1 1 A 79 79 ASP H H 79 8.070 8.454 -0.384 1
1 867 . 7 1 1 A 79 79 ASP CA C 79 54.204 54.559 -0.355 1
1 868 . 7 1 1 A 79 79 ASP HA H 79 5.344 5.070 0.274 1
1 869 . 7 1 1 A 79 79 ASP CB C 79 42.148 41.269 0.879 1
1 871 . 7 1 1 A 79 79 ASP C C 79 175.474 175.711 -0.237 1
1 873 . 7 1 1 A 80 80 TYR N N 80 121.969 122.918 -0.949 1
1 874 . 7 1 1 A 80 80 TYR H H 80 9.412 9.586 -0.174 1
1 875 . 7 1 1 A 80 80 TYR CA C 80 56.872 56.262 0.610 1
1 876 . 7 1 1 A 80 80 TYR HA H 80 4.821 5.136 -0.315 1
1 877 . 7 1 1 A 80 80 TYR CB C 80 41.557 41.782 -0.225 1
1 887 . 7 1 1 A 80 80 TYR C C 80 175.552 174.587 0.965 1
1 889 . 7 1 1 A 81 81 VAL N N 81 121.669 121.877 -0.208 1
1 890 . 7 1 1 A 81 81 VAL H H 81 8.688 8.535 0.153 1
1 891 . 7 1 1 A 81 81 VAL CA C 81 61.217 61.267 -0.050 1
1 892 . 7 1 1 A 81 81 VAL HA H 81 4.606 4.600 0.006 1
1 893 . 7 1 1 A 81 81 VAL CB C 81 33.990 32.554 1.436 1
1 903 . 7 1 1 A 81 81 VAL C C 81 173.568 174.364 -0.796 1
1 904 . 7 1 1 A 82 82 LEU N N 82 129.806 130.588 -0.782 1
1 905 . 7 1 1 A 82 82 LEU H H 82 8.873 8.555 0.318 1
1 906 . 7 1 1 A 82 82 LEU CA C 82 53.321 54.112 -0.791 1
1 907 . 7 1 1 A 82 82 LEU HA H 82 5.150 4.881 0.269 1
1 908 . 7 1 1 A 82 82 LEU CB C 82 44.594 43.481 1.113 1
1 920 . 7 1 1 A 82 82 LEU C C 82 174.427 174.909 -0.482 1
1 922 . 7 1 1 A 83 83 ALA N N 83 128.482 130.146 -1.664 1
1 923 . 7 1 1 A 83 83 ALA H H 83 9.294 9.108 0.186 1
1 924 . 7 1 1 A 83 83 ALA CA C 83 50.133 50.404 -0.271 1
1 925 . 7 1 1 A 83 83 ALA HA H 83 5.081 5.052 0.029 1
1 926 . 7 1 1 A 83 83 ALA CB C 83 21.500 20.459 1.041 1
1 930 . 7 1 1 A 83 83 ALA C C 83 174.991 175.901 -0.910 1
1 931 . 7 1 1 A 84 84 VAL N N 84 121.691 123.984 -2.293 1
1 932 . 7 1 1 A 84 84 VAL H H 84 9.222 9.119 0.103 1
1 933 . 7 1 1 A 84 84 VAL CA C 84 61.324 61.312 0.012 1
1 934 . 7 1 1 A 84 84 VAL HA H 84 4.785 4.819 -0.034 1
1 935 . 7 1 1 A 84 84 VAL CB C 84 34.116 33.328 0.788 1
1 945 . 7 1 1 A 84 84 VAL C C 84 174.156 175.003 -0.847 1
1 946 . 7 1 1 A 85 85 LYS N N 85 124.020 126.663 -2.643 1
1 947 . 7 1 1 A 85 85 LYS H H 85 9.193 8.507 0.686 1
1 948 . 7 1 1 A 85 85 LYS CA C 85 54.222 54.565 -0.343 1
1 949 . 7 1 1 A 85 85 LYS HA H 85 4.958 5.230 -0.272 1
1 950 . 7 1 1 A 85 85 LYS CB C 85 34.814 35.288 -0.474 1
1 958 . 7 1 1 A 85 85 LYS C C 85 173.704 175.384 -1.680 1
1 963 . 7 1 1 A 86 86 TRP N N 86 123.429 124.465 -1.036 1
1 964 . 7 1 1 A 86 86 TRP H H 86 8.623 9.027 -0.404 1
1 965 . 7 1 1 A 86 86 TRP CA C 86 53.803 56.804 -3.001 1
1 966 . 7 1 1 A 86 86 TRP HA H 86 5.583 4.928 0.655 1
1 967 . 7 1 1 A 86 86 TRP CB C 86 32.084 31.627 0.457 1
1 981 . 7 1 1 A 86 86 TRP C C 86 176.916 175.846 1.070 1
1 983 . 7 1 1 A 87 87 GLY N N 87 116.722 114.763 1.959 1
1 984 . 7 1 1 A 87 87 GLY H H 87 8.782 8.629 0.153 1
1 985 . 7 1 1 A 87 87 GLY CA C 87 46.432 46.610 -0.178 1
1 986 . 7 1 1 A 87 87 GLY HA3 H 87 3.152 3.592 -0.440 1
1 987 . 7 1 1 A 87 87 GLY C C 87 173.838 174.064 -0.226 1
1 988 . 7 1 1 A 87 87 GLY HA2 H 87 3.732 3.384 0.348 1
1 989 . 7 1 1 A 88 88 GLU N N 88 122.405 110.603 11.802 1
1 990 . 7 1 1 A 88 88 GLU H H 88 8.592 8.477 0.115 1
1 991 . 7 1 1 A 88 88 GLU CA C 88 56.004 57.566 -1.562 1
1 992 . 7 1 1 A 88 88 GLU HA H 88 4.057 3.840 0.217 1
1 993 . 7 1 1 A 88 88 GLU CB C 88 29.764 27.427 2.337 1
1 997 . 7 1 1 A 88 88 GLU C C 88 176.465 174.843 1.622 1
1 1000 . 7 1 1 A 89 89 GLU N N 89 117.358 117.133 0.225 1
1 1001 . 7 1 1 A 89 89 GLU H H 89 7.226 7.621 -0.395 1
1 1002 . 7 1 1 A 89 89 GLU CA C 89 54.921 54.982 -0.061 1
1 1003 . 7 1 1 A 89 89 GLU HA H 89 4.580 5.132 -0.552 1
1 1004 . 7 1 1 A 89 89 GLU CB C 89 33.160 34.343 -1.183 1
1 1008 . 7 1 1 A 89 89 GLU C C 89 175.674 174.609 1.065 1
1 1011 . 7 1 1 A 90 90 HIS N N 90 122.210 117.024 5.186 1
1 1012 . 7 1 1 A 90 90 HIS H H 90 8.603 8.859 -0.256 1
1 1013 . 7 1 1 A 90 90 HIS CA C 90 58.321 54.452 3.869 1
1 1014 . 7 1 1 A 90 90 HIS HA H 90 4.343 5.143 -0.800 1
1 1015 . 7 1 1 A 90 90 HIS CB C 90 32.786 31.771 1.015 1
1 1021 . 7 1 1 A 90 90 HIS C C 90 177.001 175.322 1.679 1
1 1023 . 7 1 1 A 91 91 ILE N N 91 117.760 122.431 -4.671 1
1 1024 . 7 1 1 A 91 91 ILE H H 91 8.289 8.211 0.078 1
1 1025 . 7 1 1 A 91 91 ILE CA C 91 61.019 60.283 0.736 1
1 1026 . 7 1 1 A 91 91 ILE HA H 91 4.482 4.277 0.205 1
1 1027 . 7 1 1 A 91 91 ILE CB C 91 35.655 37.850 -2.195 1
1 1039 . 7 1 1 A 91 91 ILE C C 91 173.231 175.492 -2.261 1
1 1041 . 7 1 1 A 92 92 PRO CA C 92 65.378 63.346 2.032 1
1 1042 . 7 1 1 A 92 92 PRO HA H 92 4.207 4.432 -0.225 1
1 1043 . 7 1 1 A 92 92 PRO CB C 92 31.301 30.953 0.348 1
1 1049 . 7 1 1 A 92 92 PRO C C 92 177.559 177.397 0.162 1
1 1053 . 7 1 1 A 93 93 GLY N N 93 115.174 113.225 1.949 1
1 1054 . 7 1 1 A 93 93 GLY H H 93 8.291 8.343 -0.052 1
1 1055 . 7 1 1 A 93 93 GLY CA C 93 44.729 44.840 -0.111 1
1 1056 . 7 1 1 A 93 93 GLY HA3 H 93 3.122 3.740 -0.618 1
1 1057 . 7 1 1 A 93 93 GLY C C 93 171.695 173.731 -2.036 1
1 1058 . 7 1 1 A 93 93 GLY HA2 H 93 4.116 3.631 0.485 1
1 1059 . 7 1 1 A 94 94 SER N N 94 112.948 116.948 -4.000 1
1 1060 . 7 1 1 A 94 94 SER H H 94 7.612 7.567 0.045 1
1 1061 . 7 1 1 A 94 94 SER CA C 94 54.585 55.238 -0.653 1
1 1062 . 7 1 1 A 94 94 SER HA H 94 4.002 4.679 -0.677 1
1 1063 . 7 1 1 A 94 94 SER CB C 94 62.348 64.822 -2.474 1
1 1065 . 7 1 1 A 94 94 SER C C 94 174.321 172.599 1.722 1
1 1067 . 7 1 1 A 95 95 PRO CA C 95 62.338 62.835 -0.497 1
1 1068 . 7 1 1 A 95 95 PRO HA H 95 5.296 4.907 0.389 1
1 1069 . 7 1 1 A 95 95 PRO CB C 95 33.730 32.702 1.028 1
1 1075 . 7 1 1 A 95 95 PRO C C 95 175.728 176.989 -1.261 1
1 1079 . 7 1 1 A 96 96 PHE N N 96 124.415 121.231 3.184 1
1 1080 . 7 1 1 A 96 96 PHE H H 96 9.643 8.486 1.157 1
1 1081 . 7 1 1 A 96 96 PHE CA C 96 57.405 57.850 -0.445 1
1 1082 . 7 1 1 A 96 96 PHE HA H 96 4.474 4.930 -0.456 1
1 1083 . 7 1 1 A 96 96 PHE CB C 96 40.160 39.953 0.207 1
1 1095 . 7 1 1 A 96 96 PHE C C 96 175.736 175.415 0.321 1
1 1097 . 7 1 1 A 97 97 HIS N N 97 121.364 121.791 -0.427 1
1 1098 . 7 1 1 A 97 97 HIS H H 97 8.898 8.921 -0.023 1
1 1099 . 7 1 1 A 97 97 HIS CA C 97 55.214 54.453 0.761 1
1 1100 . 7 1 1 A 97 97 HIS HA H 97 5.124 5.253 -0.129 1
1 1101 . 7 1 1 A 97 97 HIS CB C 97 29.981 31.451 -1.470 1
1 1107 . 7 1 1 A 97 97 HIS C C 97 173.895 173.420 0.475 1
1 1109 . 7 1 1 A 98 98 VAL N N 98 127.912 128.898 -0.986 1
1 1110 . 7 1 1 A 98 98 VAL H H 98 8.582 8.939 -0.357 1
1 1111 . 7 1 1 A 98 98 VAL CA C 98 61.467 61.132 0.335 1
1 1112 . 7 1 1 A 98 98 VAL HA H 98 4.096 4.573 -0.477 1
1 1113 . 7 1 1 A 98 98 VAL CB C 98 35.455 33.174 2.281 1
1 1123 . 7 1 1 A 98 98 VAL C C 98 174.874 175.006 -0.132 1
1 1124 . 7 1 1 A 99 99 THR N N 99 123.090 124.132 -1.042 1
1 1125 . 7 1 1 A 99 99 THR H H 99 8.117 8.824 -0.707 1
1 1126 . 7 1 1 A 99 99 THR CA C 99 62.031 61.496 0.535 1
1 1127 . 7 1 1 A 99 99 THR HA H 99 4.852 4.992 -0.140 1
1 1128 . 7 1 1 A 99 99 THR CB C 99 70.661 70.427 0.234 1
1 1134 . 7 1 1 A 99 99 THR C C 99 173.264 173.745 -0.481 1
1 1135 . 7 1 1 A 100 100 VAL N N 100 129.827 126.361 3.466 1
1 1136 . 7 1 1 A 100 100 VAL H H 100 8.812 8.593 0.219 1
1 1137 . 7 1 1 A 100 100 VAL CA C 100 58.577 58.571 0.006 1
1 1138 . 7 1 1 A 100 100 VAL HA H 100 5.053 4.439 0.614 1
1 1139 . 7 1 1 A 100 100 VAL CB C 100 33.365 34.387 -1.022 1
1 1149 . 7 1 1 A 100 100 VAL C C 100 174.927 174.104 0.823 1
1 1 . 8 1 1 A 6 6 SER CA C 6 58.666 60.574 -1.908 1
1 2 . 8 1 1 A 6 6 SER HA H 6 4.514 4.463 0.051 1
1 3 . 8 1 1 A 6 6 SER CB C 6 63.933 63.524 0.409 1
1 5 . 8 1 1 A 6 6 SER C C 6 175.074 175.204 -0.130 1
1 7 . 8 1 1 A 7 7 GLY N N 7 110.792 108.514 2.278 1
1 8 . 8 1 1 A 7 7 GLY H H 7 8.450 8.270 0.180 1
1 9 . 8 1 1 A 7 7 GLY CA C 7 45.406 46.888 -1.482 1
1 10 . 8 1 1 A 7 7 GLY HA3 H 7 4.052 4.013 0.039 1
1 11 . 8 1 1 A 7 7 GLY C C 7 174.270 172.954 1.316 1
1 12 . 8 1 1 A 7 7 GLY HA2 H 7 4.052 4.002 0.050 1
1 13 . 8 1 1 A 8 8 SER N N 8 115.558 122.864 -7.306 1
1 14 . 8 1 1 A 8 8 SER H H 8 8.274 8.779 -0.505 1
1 15 . 8 1 1 A 8 8 SER CA C 8 58.332 57.999 0.333 1
1 16 . 8 1 1 A 8 8 SER HA H 8 4.557 5.060 -0.503 1
1 17 . 8 1 1 A 8 8 SER CB C 8 63.930 63.672 0.258 1
1 19 . 8 1 1 A 8 8 SER C C 8 174.064 173.643 0.421 1
1 21 . 8 1 1 A 9 9 SER N N 9 116.801 122.395 -5.594 1
1 22 . 8 1 1 A 9 9 SER H H 9 8.227 8.562 -0.335 1
1 23 . 8 1 1 A 9 9 SER CA C 9 58.075 60.403 -2.328 1
1 24 . 8 1 1 A 9 9 SER HA H 9 5.001 4.675 0.326 1
1 25 . 8 1 1 A 9 9 SER CB C 9 64.491 63.015 1.476 1
1 27 . 8 1 1 A 9 9 SER C C 9 174.318 173.866 0.452 1
1 29 . 8 1 1 A 10 10 ASP N N 10 122.324 127.486 -5.162 1
1 30 . 8 1 1 A 10 10 ASP H H 10 8.262 8.764 -0.502 1
1 31 . 8 1 1 A 10 10 ASP CA C 10 53.833 53.459 0.374 1
1 32 . 8 1 1 A 10 10 ASP HA H 10 4.892 5.065 -0.173 1
1 33 . 8 1 1 A 10 10 ASP CB C 10 41.497 43.116 -1.619 1
1 35 . 8 1 1 A 10 10 ASP C C 10 176.306 176.180 0.126 1
1 37 . 8 1 1 A 11 11 ALA N N 11 126.255 128.994 -2.739 1
1 38 . 8 1 1 A 11 11 ALA H H 11 9.091 8.751 0.340 1
1 39 . 8 1 1 A 11 11 ALA CA C 11 54.713 54.034 0.679 1
1 40 . 8 1 1 A 11 11 ALA HA H 11 4.056 4.245 -0.189 1
1 41 . 8 1 1 A 11 11 ALA CB C 11 20.177 19.293 0.884 1
1 45 . 8 1 1 A 11 11 ALA C C 11 177.950 179.427 -1.477 1
1 46 . 8 1 1 A 12 12 SER N N 12 110.658 114.144 -3.486 1
1 47 . 8 1 1 A 12 12 SER H H 12 8.224 8.040 0.184 1
1 48 . 8 1 1 A 12 12 SER CA C 12 60.857 61.552 -0.695 1
1 49 . 8 1 1 A 12 12 SER HA H 12 4.240 4.162 0.078 1
1 50 . 8 1 1 A 12 12 SER CB C 12 62.964 63.058 -0.094 1
1 52 . 8 1 1 A 12 12 SER C C 12 175.312 176.168 -0.856 1
1 54 . 8 1 1 A 13 13 LYS N N 13 119.063 118.192 0.871 1
1 55 . 8 1 1 A 13 13 LYS H H 13 7.349 7.804 -0.455 1
1 56 . 8 1 1 A 13 13 LYS CA C 13 54.948 58.142 -3.194 1
1 57 . 8 1 1 A 13 13 LYS HA H 13 4.293 4.314 -0.021 1
1 58 . 8 1 1 A 13 13 LYS CB C 13 33.037 32.847 0.190 1
1 66 . 8 1 1 A 13 13 LYS C C 13 177.263 177.553 -0.290 1
1 71 . 8 1 1 A 14 14 VAL N N 14 124.317 120.153 4.164 1
1 72 . 8 1 1 A 14 14 VAL H H 14 7.500 7.222 0.278 1
1 73 . 8 1 1 A 14 14 VAL CA C 14 63.797 63.013 0.784 1
1 74 . 8 1 1 A 14 14 VAL HA H 14 3.870 3.823 0.047 1
1 75 . 8 1 1 A 14 14 VAL CB C 14 31.996 31.340 0.656 1
1 85 . 8 1 1 A 14 14 VAL C C 14 175.873 175.245 0.628 1
1 86 . 8 1 1 A 15 15 THR N N 15 117.704 119.190 -1.486 1
1 87 . 8 1 1 A 15 15 THR H H 15 8.197 8.479 -0.282 1
1 88 . 8 1 1 A 15 15 THR CA C 15 59.805 59.538 0.267 1
1 89 . 8 1 1 A 15 15 THR HA H 15 4.911 5.244 -0.333 1
1 90 . 8 1 1 A 15 15 THR CB C 15 71.373 71.573 -0.200 1
1 96 . 8 1 1 A 15 15 THR C C 15 172.695 174.128 -1.433 1
1 97 . 8 1 1 A 16 16 SER N N 16 113.256 116.476 -3.220 1
1 98 . 8 1 1 A 16 16 SER H H 16 8.442 9.102 -0.660 1
1 99 . 8 1 1 A 16 16 SER CA C 16 57.155 56.591 0.564 1
1 100 . 8 1 1 A 16 16 SER HA H 16 5.564 5.465 0.099 1
1 101 . 8 1 1 A 16 16 SER CB C 16 66.124 65.577 0.547 1
1 103 . 8 1 1 A 16 16 SER C C 16 173.455 173.584 -0.129 1
1 105 . 8 1 1 A 17 17 LYS N N 17 117.543 120.562 -3.019 1
1 106 . 8 1 1 A 17 17 LYS H H 17 8.870 8.809 0.061 1
1 107 . 8 1 1 A 17 17 LYS CA C 17 56.063 54.304 1.759 1
1 108 . 8 1 1 A 17 17 LYS HA H 17 4.673 5.089 -0.416 1
1 109 . 8 1 1 A 17 17 LYS CB C 17 35.602 36.240 -0.638 1
1 117 . 8 1 1 A 17 17 LYS C C 17 174.625 174.964 -0.339 1
1 122 . 8 1 1 A 18 18 GLY N N 18 110.702 107.825 2.877 1
1 123 . 8 1 1 A 18 18 GLY H H 18 8.746 8.502 0.244 1
1 124 . 8 1 1 A 18 18 GLY CA C 18 44.501 44.117 0.384 1
1 125 . 8 1 1 A 18 18 GLY HA3 H 18 3.998 4.247 -0.249 1
1 126 . 8 1 1 A 18 18 GLY C C 18 175.460 174.143 1.317 1
1 127 . 8 1 1 A 18 18 GLY HA2 H 18 4.947 4.216 0.731 1
1 128 . 8 1 1 A 19 19 ALA CA C 19 55.387 54.214 1.173 1
1 129 . 8 1 1 A 19 19 ALA HA H 19 4.229 4.267 -0.038 1
1 130 . 8 1 1 A 19 19 ALA CB C 19 18.689 19.315 -0.626 1
1 134 . 8 1 1 A 19 19 ALA C C 19 179.606 179.651 -0.045 1
1 135 . 8 1 1 A 20 20 GLY N N 20 101.587 106.442 -4.855 1
1 136 . 8 1 1 A 20 20 GLY H H 20 8.466 8.475 -0.009 1
1 137 . 8 1 1 A 20 20 GLY CA C 20 46.078 47.140 -1.062 1
1 138 . 8 1 1 A 20 20 GLY HA3 H 20 3.596 3.963 -0.367 1
1 139 . 8 1 1 A 20 20 GLY C C 20 173.214 176.843 -3.629 1
1 140 . 8 1 1 A 20 20 GLY HA2 H 20 4.689 3.932 0.757 1
1 141 . 8 1 1 A 21 21 LEU N N 21 115.987 122.931 -6.944 1
1 142 . 8 1 1 A 21 21 LEU H H 21 6.928 7.880 -0.952 1
1 143 . 8 1 1 A 21 21 LEU CA C 21 55.567 57.373 -1.806 1
1 144 . 8 1 1 A 21 21 LEU HA H 21 3.404 3.822 -0.418 1
1 145 . 8 1 1 A 21 21 LEU CB C 21 41.702 40.950 0.752 1
1 157 . 8 1 1 A 21 21 LEU C C 21 175.989 179.455 -3.466 1
1 159 . 8 1 1 A 22 22 SER N N 22 106.483 113.424 -6.941 1
1 160 . 8 1 1 A 22 22 SER H H 22 7.808 7.721 0.087 1
1 161 . 8 1 1 A 22 22 SER CA C 22 58.956 60.992 -2.036 1
1 162 . 8 1 1 A 22 22 SER HA H 22 4.901 4.386 0.515 1
1 163 . 8 1 1 A 22 22 SER CB C 22 66.238 63.714 2.524 1
1 165 . 8 1 1 A 22 22 SER C C 22 174.051 174.111 -0.060 1
1 167 . 8 1 1 A 23 23 LYS N N 23 124.757 115.138 9.619 1
1 168 . 8 1 1 A 23 23 LYS H H 23 8.399 7.954 0.445 1
1 169 . 8 1 1 A 23 23 LYS CA C 23 55.676 54.955 0.721 1
1 170 . 8 1 1 A 23 23 LYS HA H 23 4.973 4.735 0.238 1
1 171 . 8 1 1 A 23 23 LYS CB C 23 36.338 35.471 0.867 1
1 179 . 8 1 1 A 23 23 LYS C C 23 173.136 173.993 -0.857 1
1 184 . 8 1 1 A 24 24 ALA N N 24 123.565 121.499 2.066 1
1 185 . 8 1 1 A 24 24 ALA H H 24 7.541 8.608 -1.067 1
1 186 . 8 1 1 A 24 24 ALA CA C 24 51.148 50.845 0.303 1
1 187 . 8 1 1 A 24 24 ALA HA H 24 4.256 5.418 -1.162 1
1 188 . 8 1 1 A 24 24 ALA CB C 24 22.019 23.808 -1.789 1
1 192 . 8 1 1 A 24 24 ALA C C 24 173.515 176.073 -2.558 1
1 193 . 8 1 1 A 25 25 PHE N N 25 114.269 117.898 -3.629 1
1 194 . 8 1 1 A 25 25 PHE H H 25 7.858 8.954 -1.096 1
1 195 . 8 1 1 A 25 25 PHE CA C 25 55.809 56.319 -0.510 1
1 196 . 8 1 1 A 25 25 PHE HA H 25 5.191 5.035 0.156 1
1 197 . 8 1 1 A 25 25 PHE CB C 25 41.943 42.066 -0.123 1
1 209 . 8 1 1 A 25 25 PHE C C 25 177.046 175.874 1.172 1
1 211 . 8 1 1 A 26 26 VAL N N 26 123.270 122.945 0.325 1
1 212 . 8 1 1 A 26 26 VAL H H 26 9.338 8.618 0.720 1
1 213 . 8 1 1 A 26 26 VAL CA C 26 65.054 64.957 0.097 1
1 214 . 8 1 1 A 26 26 VAL HA H 26 3.441 3.724 -0.283 1
1 215 . 8 1 1 A 26 26 VAL CB C 26 31.757 31.366 0.391 1
1 225 . 8 1 1 A 26 26 VAL C C 26 178.201 177.221 0.980 1
1 226 . 8 1 1 A 27 27 GLY N N 27 112.668 115.497 -2.829 1
1 227 . 8 1 1 A 27 27 GLY H H 27 8.862 8.597 0.265 1
1 228 . 8 1 1 A 27 27 GLY CA C 27 45.857 45.027 0.830 1
1 229 . 8 1 1 A 27 27 GLY HA3 H 27 4.229 4.053 0.176 1
1 230 . 8 1 1 A 27 27 GLY C C 27 173.411 174.700 -1.289 1
1 231 . 8 1 1 A 27 27 GLY HA2 H 27 3.631 4.050 -0.419 1
1 232 . 8 1 1 A 28 28 GLN N N 28 118.568 120.099 -1.531 1
1 233 . 8 1 1 A 28 28 GLN H H 28 7.755 7.922 -0.167 1
1 234 . 8 1 1 A 28 28 GLN CA C 28 53.825 55.371 -1.546 1
1 235 . 8 1 1 A 28 28 GLN HA H 28 4.690 4.574 0.116 1
1 236 . 8 1 1 A 28 28 GLN CB C 28 30.975 30.263 0.712 1
1 243 . 8 1 1 A 28 28 GLN C C 28 175.517 174.247 1.270 1
1 246 . 8 1 1 A 29 29 LYS N N 29 123.598 123.451 0.147 1
1 247 . 8 1 1 A 29 29 LYS H H 29 8.839 8.438 0.401 1
1 248 . 8 1 1 A 29 29 LYS CA C 29 57.587 54.801 2.786 1
1 249 . 8 1 1 A 29 29 LYS HA H 29 4.158 4.817 -0.659 1
1 250 . 8 1 1 A 29 29 LYS CB C 29 32.381 34.559 -2.178 1
1 258 . 8 1 1 A 29 29 LYS C C 29 176.190 174.671 1.519 1
1 263 . 8 1 1 A 30 30 SER N N 30 124.030 125.098 -1.068 1
1 264 . 8 1 1 A 30 30 SER H H 30 8.694 8.319 0.375 1
1 265 . 8 1 1 A 30 30 SER CA C 30 57.560 57.835 -0.275 1
1 266 . 8 1 1 A 30 30 SER HA H 30 4.758 5.102 -0.344 1
1 267 . 8 1 1 A 30 30 SER CB C 30 64.143 64.407 -0.264 1
1 269 . 8 1 1 A 30 30 SER C C 30 173.413 173.545 -0.132 1
1 271 . 8 1 1 A 31 31 SER N N 31 116.828 118.688 -1.860 1
1 272 . 8 1 1 A 31 31 SER H H 31 8.894 8.816 0.078 1
1 273 . 8 1 1 A 31 31 SER CA C 31 57.132 55.394 1.738 1
1 274 . 8 1 1 A 31 31 SER HA H 31 6.181 5.345 0.836 1
1 275 . 8 1 1 A 31 31 SER CB C 31 67.745 66.410 1.335 1
1 277 . 8 1 1 A 31 31 SER C C 31 174.171 173.704 0.467 1
1 279 . 8 1 1 A 32 32 PHE N N 32 117.724 117.269 0.455 1
1 280 . 8 1 1 A 32 32 PHE H H 32 8.853 8.547 0.306 1
1 281 . 8 1 1 A 32 32 PHE CA C 32 57.190 55.998 1.192 1
1 282 . 8 1 1 A 32 32 PHE HA H 32 5.016 5.222 -0.206 1
1 283 . 8 1 1 A 32 32 PHE CB C 32 40.712 42.034 -1.322 1
1 295 . 8 1 1 A 32 32 PHE C C 32 170.765 172.196 -1.431 1
1 297 . 8 1 1 A 33 33 LEU N N 33 121.533 124.267 -2.734 1
1 298 . 8 1 1 A 33 33 LEU H H 33 9.223 8.758 0.465 1
1 299 . 8 1 1 A 33 33 LEU CA C 33 53.636 53.386 0.250 1
1 300 . 8 1 1 A 33 33 LEU HA H 33 5.531 5.310 0.221 1
1 301 . 8 1 1 A 33 33 LEU CB C 33 46.278 45.311 0.967 1
1 313 . 8 1 1 A 33 33 LEU C C 33 176.559 174.480 2.079 1
1 315 . 8 1 1 A 34 34 VAL N N 34 123.140 126.391 -3.251 1
1 316 . 8 1 1 A 34 34 VAL H H 34 9.257 8.811 0.446 1
1 317 . 8 1 1 A 34 34 VAL CA C 34 61.182 61.333 -0.151 1
1 318 . 8 1 1 A 34 34 VAL HA H 34 4.785 4.905 -0.120 1
1 319 . 8 1 1 A 34 34 VAL CB C 34 34.589 34.140 0.449 1
1 329 . 8 1 1 A 34 34 VAL C C 34 174.370 174.124 0.246 1
1 330 . 8 1 1 A 35 35 ASP N N 35 126.353 127.861 -1.508 1
1 331 . 8 1 1 A 35 35 ASP H H 35 9.312 9.063 0.249 1
1 332 . 8 1 1 A 35 35 ASP CA C 35 53.298 54.044 -0.746 1
1 333 . 8 1 1 A 35 35 ASP HA H 35 5.229 4.888 0.341 1
1 334 . 8 1 1 A 35 35 ASP CB C 35 41.538 41.049 0.489 1
1 336 . 8 1 1 A 35 35 ASP C C 35 176.980 175.943 1.037 1
1 338 . 8 1 1 A 36 36 CYS N N 36 125.342 126.118 -0.776 1
1 339 . 8 1 1 A 36 36 CYS H H 36 9.275 8.693 0.582 1
1 340 . 8 1 1 A 36 36 CYS CA C 36 57.367 57.805 -0.438 1
1 341 . 8 1 1 A 36 36 CYS HA H 36 4.374 4.818 -0.444 1
1 342 . 8 1 1 A 36 36 CYS CB C 36 28.369 28.712 -0.343 1
1 344 . 8 1 1 A 36 36 CYS C C 36 177.015 175.293 1.722 1
1 346 . 8 1 1 A 37 37 SER N N 37 119.973 117.028 2.945 1
1 347 . 8 1 1 A 37 37 SER H H 37 9.039 8.110 0.929 1
1 348 . 8 1 1 A 37 37 SER CA C 37 62.787 61.367 1.420 1
1 349 . 8 1 1 A 37 37 SER HA H 37 3.932 4.236 -0.304 1
1 350 . 8 1 1 A 37 37 SER CB C 37 62.982 63.016 -0.034 1
1 352 . 8 1 1 A 37 37 SER C C 37 176.290 175.922 0.368 1
1 354 . 8 1 1 A 38 38 LYS N N 38 120.815 118.493 2.322 1
1 355 . 8 1 1 A 38 38 LYS H H 38 8.676 7.978 0.698 1
1 356 . 8 1 1 A 38 38 LYS CA C 38 55.123 55.239 -0.116 1
1 357 . 8 1 1 A 38 38 LYS HA H 38 4.730 4.649 0.081 1
1 358 . 8 1 1 A 38 38 LYS CB C 38 32.250 32.535 -0.285 1
1 366 . 8 1 1 A 38 38 LYS C C 38 176.385 176.644 -0.259 1
1 371 . 8 1 1 A 39 39 ALA N N 39 121.594 121.716 -0.122 1
1 372 . 8 1 1 A 39 39 ALA H H 39 7.322 7.906 -0.584 1
1 373 . 8 1 1 A 39 39 ALA CA C 39 52.127 53.417 -1.290 1
1 374 . 8 1 1 A 39 39 ALA HA H 39 4.436 4.231 0.205 1
1 375 . 8 1 1 A 39 39 ALA CB C 39 21.347 19.553 1.794 1
1 379 . 8 1 1 A 39 39 ALA C C 39 177.453 177.446 0.007 1
1 380 . 8 1 1 A 40 40 GLY N N 40 111.873 102.564 9.309 1
1 381 . 8 1 1 A 40 40 GLY H H 40 8.755 7.560 1.195 1
1 382 . 8 1 1 A 40 40 GLY CA C 40 45.619 46.076 -0.457 1
1 383 . 8 1 1 A 40 40 GLY HA3 H 40 4.329 4.337 -0.008 1
1 384 . 8 1 1 A 40 40 GLY C C 40 173.801 172.275 1.526 1
1 385 . 8 1 1 A 40 40 GLY HA2 H 40 3.754 4.233 -0.479 1
1 386 . 8 1 1 A 41 41 SER N N 41 117.149 118.574 -1.425 1
1 387 . 8 1 1 A 41 41 SER H H 41 8.524 8.880 -0.356 1
1 388 . 8 1 1 A 41 41 SER CA C 41 56.849 57.032 -0.183 1
1 389 . 8 1 1 A 41 41 SER HA H 41 5.010 4.867 0.143 1
1 390 . 8 1 1 A 41 41 SER CB C 41 63.917 64.290 -0.373 1
1 392 . 8 1 1 A 41 41 SER C C 41 172.603 173.190 -0.587 1
1 394 . 8 1 1 A 42 42 ASN N N 42 125.590 121.072 4.518 1
1 395 . 8 1 1 A 42 42 ASN H H 42 7.155 7.768 -0.613 1
1 396 . 8 1 1 A 42 42 ASN CA C 42 50.805 50.759 0.046 1
1 397 . 8 1 1 A 42 42 ASN HA H 42 3.256 4.689 -1.433 1
1 398 . 8 1 1 A 42 42 ASN CB C 42 39.354 40.109 -0.755 1
1 403 . 8 1 1 A 42 42 ASN C C 42 170.908 174.883 -3.975 1
1 405 . 8 1 1 A 43 43 MET N N 43 115.129 118.754 -3.625 1
1 406 . 8 1 1 A 43 43 MET H H 43 8.366 7.928 0.438 1
1 407 . 8 1 1 A 43 43 MET CA C 43 53.424 53.084 0.340 1
1 408 . 8 1 1 A 43 43 MET HA H 43 4.102 5.025 -0.923 1
1 409 . 8 1 1 A 43 43 MET CB C 43 35.572 34.733 0.839 1
1 417 . 8 1 1 A 43 43 MET C C 43 173.140 174.102 -0.962 1
1 420 . 8 1 1 A 44 44 LEU N N 44 128.038 121.910 6.128 1
1 421 . 8 1 1 A 44 44 LEU H H 44 8.300 8.454 -0.154 1
1 422 . 8 1 1 A 44 44 LEU CA C 44 53.806 53.758 0.048 1
1 423 . 8 1 1 A 44 44 LEU HA H 44 5.331 5.139 0.192 1
1 424 . 8 1 1 A 44 44 LEU CB C 44 43.598 44.916 -1.318 1
1 436 . 8 1 1 A 44 44 LEU C C 44 175.236 175.478 -0.242 1
1 438 . 8 1 1 A 45 45 LEU N N 45 126.999 122.829 4.170 1
1 439 . 8 1 1 A 45 45 LEU H H 45 9.109 8.557 0.552 1
1 440 . 8 1 1 A 45 45 LEU CA C 45 54.800 52.474 2.326 1
1 441 . 8 1 1 A 45 45 LEU HA H 45 5.135 5.359 -0.224 1
1 442 . 8 1 1 A 45 45 LEU CB C 45 45.499 45.972 -0.473 1
1 454 . 8 1 1 A 45 45 LEU C C 45 175.167 175.342 -0.175 1
1 456 . 8 1 1 A 46 46 ILE N N 46 118.172 120.214 -2.042 1
1 457 . 8 1 1 A 46 46 ILE H H 46 7.966 8.858 -0.892 1
1 458 . 8 1 1 A 46 46 ILE CA C 46 58.091 59.480 -1.389 1
1 459 . 8 1 1 A 46 46 ILE HA H 46 5.412 5.103 0.309 1
1 460 . 8 1 1 A 46 46 ILE CB C 46 41.988 41.655 0.333 1
1 472 . 8 1 1 A 46 46 ILE C C 46 174.748 175.592 -0.844 1
1 474 . 8 1 1 A 47 47 GLY N N 47 110.148 115.462 -5.314 1
1 475 . 8 1 1 A 47 47 GLY H H 47 8.554 8.742 -0.188 1
1 476 . 8 1 1 A 47 47 GLY CA C 47 46.136 46.138 -0.002 1
1 477 . 8 1 1 A 47 47 GLY HA3 H 47 4.604 4.267 0.337 1
1 478 . 8 1 1 A 47 47 GLY C C 47 171.583 173.289 -1.706 1
1 479 . 8 1 1 A 47 47 GLY HA2 H 47 3.933 4.265 -0.332 1
1 480 . 8 1 1 A 48 48 VAL N N 48 120.434 118.271 2.163 1
1 481 . 8 1 1 A 48 48 VAL H H 48 9.048 7.672 1.376 1
1 482 . 8 1 1 A 48 48 VAL CA C 48 61.060 62.203 -1.143 1
1 483 . 8 1 1 A 48 48 VAL HA H 48 5.143 4.106 1.037 1
1 484 . 8 1 1 A 48 48 VAL CB C 48 34.976 32.150 2.826 1
1 494 . 8 1 1 A 48 48 VAL C C 48 175.260 175.330 -0.070 1
1 495 . 8 1 1 A 49 49 HIS N N 49 127.718 126.552 1.166 1
1 496 . 8 1 1 A 49 49 HIS H H 49 9.556 8.354 1.202 1
1 497 . 8 1 1 A 49 49 HIS CA C 49 55.342 54.077 1.265 1
1 498 . 8 1 1 A 49 49 HIS HA H 49 4.987 5.228 -0.241 1
1 499 . 8 1 1 A 49 49 HIS CB C 49 34.476 32.904 1.572 1
1 505 . 8 1 1 A 49 49 HIS C C 49 173.822 174.037 -0.215 1
1 507 . 8 1 1 A 50 50 GLY N N 50 115.577 112.804 2.773 1
1 508 . 8 1 1 A 50 50 GLY H H 50 8.192 8.401 -0.209 1
1 509 . 8 1 1 A 50 50 GLY CA C 50 44.693 46.668 -1.975 1
1 510 . 8 1 1 A 50 50 GLY HA3 H 50 3.247 4.220 -0.973 1
1 511 . 8 1 1 A 50 50 GLY C C 50 171.437 173.959 -2.522 1
1 512 . 8 1 1 A 50 50 GLY HA2 H 50 3.722 4.174 -0.452 1
1 513 . 8 1 1 A 51 51 PRO CA C 51 64.376 64.583 -0.207 1
1 514 . 8 1 1 A 51 51 PRO HA H 51 4.104 4.552 -0.448 1
1 515 . 8 1 1 A 51 51 PRO CB C 51 32.141 31.960 0.181 1
1 521 . 8 1 1 A 51 51 PRO C C 51 177.607 177.553 0.054 1
1 525 . 8 1 1 A 52 52 THR N N 52 109.088 108.372 0.716 1
1 526 . 8 1 1 A 52 52 THR H H 52 8.447 7.840 0.607 1
1 527 . 8 1 1 A 52 52 THR CA C 52 62.861 61.768 1.093 1
1 528 . 8 1 1 A 52 52 THR HA H 52 4.424 4.545 -0.121 1
1 529 . 8 1 1 A 52 52 THR CB C 52 70.329 70.462 -0.133 1
1 535 . 8 1 1 A 52 52 THR C C 52 174.926 174.790 0.136 1
1 536 . 8 1 1 A 53 53 THR N N 53 118.915 115.676 3.239 1
1 537 . 8 1 1 A 53 53 THR H H 53 7.983 7.736 0.247 1
1 538 . 8 1 1 A 53 53 THR CA C 53 59.878 59.088 0.790 1
1 539 . 8 1 1 A 53 53 THR HA H 53 4.751 4.678 0.073 1
1 540 . 8 1 1 A 53 53 THR CB C 53 71.034 71.652 -0.618 1
1 546 . 8 1 1 A 53 53 THR C C 53 172.019 171.992 0.027 1
1 547 . 8 1 1 A 54 54 PRO CA C 54 62.614 62.434 0.180 1
1 548 . 8 1 1 A 54 54 PRO HA H 54 4.629 4.571 0.058 1
1 549 . 8 1 1 A 54 54 PRO CB C 54 32.845 32.475 0.370 1
1 555 . 8 1 1 A 54 54 PRO C C 54 177.751 176.708 1.043 1
1 559 . 8 1 1 A 55 55 CYS N N 55 121.538 120.873 0.665 1
1 560 . 8 1 1 A 55 55 CYS H H 55 8.938 8.619 0.319 1
1 561 . 8 1 1 A 55 55 CYS CA C 55 60.342 60.032 0.310 1
1 562 . 8 1 1 A 55 55 CYS HA H 55 4.563 4.693 -0.130 1
1 563 . 8 1 1 A 55 55 CYS CB C 55 27.534 28.277 -0.743 1
1 565 . 8 1 1 A 55 55 CYS C C 55 174.437 175.872 -1.435 1
1 567 . 8 1 1 A 56 56 GLU N N 56 124.530 123.526 1.004 1
1 568 . 8 1 1 A 56 56 GLU H H 56 8.450 9.137 -0.687 1
1 569 . 8 1 1 A 56 56 GLU CA C 56 59.363 59.236 0.127 1
1 570 . 8 1 1 A 56 56 GLU HA H 56 4.471 4.233 0.238 1
1 571 . 8 1 1 A 56 56 GLU CB C 56 31.217 30.519 0.698 1
1 575 . 8 1 1 A 56 56 GLU C C 56 176.847 176.479 0.368 1
1 578 . 8 1 1 A 57 57 GLU N N 57 114.661 113.946 0.715 1
1 579 . 8 1 1 A 57 57 GLU H H 57 7.478 7.732 -0.254 1
1 580 . 8 1 1 A 57 57 GLU CA C 57 55.551 55.513 0.038 1
1 581 . 8 1 1 A 57 57 GLU HA H 57 5.414 4.690 0.724 1
1 582 . 8 1 1 A 57 57 GLU CB C 57 34.084 31.800 2.284 1
1 586 . 8 1 1 A 57 57 GLU C C 57 174.400 173.903 0.497 1
1 589 . 8 1 1 A 58 58 VAL N N 58 123.611 120.544 3.067 1
1 590 . 8 1 1 A 58 58 VAL H H 58 8.605 8.507 0.098 1
1 591 . 8 1 1 A 58 58 VAL CA C 58 62.048 62.064 -0.016 1
1 592 . 8 1 1 A 58 58 VAL HA H 58 4.941 4.734 0.207 1
1 593 . 8 1 1 A 58 58 VAL CB C 58 35.700 34.010 1.690 1
1 603 . 8 1 1 A 58 58 VAL C C 58 174.426 174.460 -0.034 1
1 604 . 8 1 1 A 59 59 SER N N 59 121.592 123.619 -2.027 1
1 605 . 8 1 1 A 59 59 SER H H 59 9.635 9.107 0.528 1
1 606 . 8 1 1 A 59 59 SER CA C 59 57.012 57.110 -0.098 1
1 607 . 8 1 1 A 59 59 SER HA H 59 5.526 4.883 0.643 1
1 608 . 8 1 1 A 59 59 SER CB C 59 65.896 63.919 1.977 1
1 610 . 8 1 1 A 59 59 SER C C 59 172.465 173.438 -0.973 1
1 612 . 8 1 1 A 60 60 MET N N 60 122.508 127.174 -4.666 1
1 613 . 8 1 1 A 60 60 MET H H 60 9.435 9.089 0.346 1
1 614 . 8 1 1 A 60 60 MET CA C 60 54.541 53.671 0.870 1
1 615 . 8 1 1 A 60 60 MET HA H 60 5.352 5.632 -0.280 1
1 616 . 8 1 1 A 60 60 MET CB C 60 37.420 34.667 2.753 1
1 624 . 8 1 1 A 60 60 MET C C 60 174.616 175.352 -0.736 1
1 627 . 8 1 1 A 61 61 LYS N N 61 125.580 123.335 2.245 1
1 628 . 8 1 1 A 61 61 LYS H H 61 8.963 9.121 -0.158 1
1 629 . 8 1 1 A 61 61 LYS CA C 61 54.688 54.928 -0.240 1
1 630 . 8 1 1 A 61 61 LYS HA H 61 5.396 4.885 0.511 1
1 631 . 8 1 1 A 61 61 LYS CB C 61 36.412 36.078 0.334 1
1 639 . 8 1 1 A 61 61 LYS C C 61 175.548 175.403 0.145 1
1 644 . 8 1 1 A 62 62 HIS N N 62 125.822 125.160 0.662 1
1 645 . 8 1 1 A 62 62 HIS H H 62 8.967 8.967 0.000 1
1 646 . 8 1 1 A 62 62 HIS CA C 62 55.674 54.175 1.499 1
1 647 . 8 1 1 A 62 62 HIS HA H 62 4.621 4.651 -0.030 1
1 648 . 8 1 1 A 62 62 HIS CB C 62 29.732 28.299 1.433 1
1 654 . 8 1 1 A 62 62 HIS C C 62 175.912 175.113 0.799 1
1 656 . 8 1 1 A 63 63 VAL N N 63 124.131 123.945 0.186 1
1 657 . 8 1 1 A 63 63 VAL H H 63 8.633 7.933 0.700 1
1 658 . 8 1 1 A 63 63 VAL CA C 63 61.288 64.434 -3.146 1
1 659 . 8 1 1 A 63 63 VAL HA H 63 4.299 3.619 0.680 1
1 660 . 8 1 1 A 63 63 VAL CB C 63 30.964 32.397 -1.433 1
1 670 . 8 1 1 A 63 63 VAL C C 63 175.339 175.335 0.004 1
1 671 . 8 1 1 A 64 64 GLY N N 64 108.087 109.716 -1.629 1
1 672 . 8 1 1 A 64 64 GLY H H 64 5.406 6.895 -1.489 1
1 673 . 8 1 1 A 64 64 GLY CA C 64 44.979 43.314 1.665 1
1 674 . 8 1 1 A 64 64 GLY HA3 H 64 3.118 3.721 -0.603 1
1 675 . 8 1 1 A 64 64 GLY C C 64 174.125 173.996 0.129 1
1 676 . 8 1 1 A 64 64 GLY HA2 H 64 4.287 3.052 1.235 1
1 677 . 8 1 1 A 65 65 ASN N N 65 118.292 117.131 1.161 1
1 678 . 8 1 1 A 65 65 ASN H H 65 9.260 9.249 0.011 1
1 679 . 8 1 1 A 65 65 ASN CA C 65 54.643 54.546 0.097 1
1 680 . 8 1 1 A 65 65 ASN HA H 65 4.401 4.401 0.000 1
1 681 . 8 1 1 A 65 65 ASN CB C 65 37.695 36.969 0.726 1
1 686 . 8 1 1 A 65 65 ASN C C 65 174.079 174.691 -0.612 1
1 688 . 8 1 1 A 66 66 GLN N N 66 111.325 108.960 2.365 1
1 689 . 8 1 1 A 66 66 GLN H H 66 10.512 8.570 1.942 1
1 690 . 8 1 1 A 66 66 GLN CA C 66 57.009 57.247 -0.238 1
1 691 . 8 1 1 A 66 66 GLN HA H 66 3.713 3.933 -0.220 1
1 692 . 8 1 1 A 66 66 GLN CB C 66 24.986 26.776 -1.790 1
1 699 . 8 1 1 A 66 66 GLN C C 66 173.896 174.155 -0.259 1
1 702 . 8 1 1 A 67 67 GLN N N 67 115.692 116.849 -1.157 1
1 703 . 8 1 1 A 67 67 GLN H H 67 7.492 7.760 -0.268 1
1 704 . 8 1 1 A 67 67 GLN CA C 67 54.496 54.296 0.200 1
1 705 . 8 1 1 A 67 67 GLN HA H 67 5.400 5.005 0.395 1
1 706 . 8 1 1 A 67 67 GLN CB C 67 29.896 31.972 -2.076 1
1 713 . 8 1 1 A 67 67 GLN C C 67 175.043 174.096 0.947 1
1 716 . 8 1 1 A 68 68 TYR N N 68 121.249 121.313 -0.064 1
1 717 . 8 1 1 A 68 68 TYR H H 68 9.573 8.712 0.861 1
1 718 . 8 1 1 A 68 68 TYR CA C 68 56.443 56.748 -0.305 1
1 719 . 8 1 1 A 68 68 TYR HA H 68 5.417 5.128 0.289 1
1 720 . 8 1 1 A 68 68 TYR CB C 68 41.249 40.738 0.511 1
1 730 . 8 1 1 A 68 68 TYR C C 68 174.846 174.499 0.347 1
1 732 . 8 1 1 A 69 69 ASN N N 69 122.429 123.625 -1.196 1
1 733 . 8 1 1 A 69 69 ASN H H 69 9.354 9.410 -0.056 1
1 734 . 8 1 1 A 69 69 ASN CA C 69 52.454 53.008 -0.554 1
1 735 . 8 1 1 A 69 69 ASN HA H 69 5.260 4.851 0.409 1
1 736 . 8 1 1 A 69 69 ASN CB C 69 40.922 40.213 0.709 1
1 741 . 8 1 1 A 69 69 ASN C C 69 174.835 174.196 0.639 1
1 743 . 8 1 1 A 70 70 VAL N N 70 131.599 125.899 5.700 1
1 744 . 8 1 1 A 70 70 VAL H H 70 9.157 8.138 1.019 1
1 745 . 8 1 1 A 70 70 VAL CA C 70 60.900 60.762 0.138 1
1 746 . 8 1 1 A 70 70 VAL HA H 70 4.910 4.882 0.028 1
1 747 . 8 1 1 A 70 70 VAL CB C 70 31.882 33.786 -1.904 1
1 757 . 8 1 1 A 70 70 VAL C C 70 174.368 174.557 -0.189 1
1 758 . 8 1 1 A 71 71 THR N N 71 119.213 122.062 -2.849 1
1 759 . 8 1 1 A 71 71 THR H H 71 8.996 8.832 0.164 1
1 760 . 8 1 1 A 71 71 THR CA C 71 59.796 60.705 -0.909 1
1 761 . 8 1 1 A 71 71 THR HA H 71 5.614 4.983 0.631 1
1 762 . 8 1 1 A 71 71 THR CB C 71 72.339 71.696 0.643 1
1 768 . 8 1 1 A 71 71 THR C C 71 173.260 173.160 0.100 1
1 769 . 8 1 1 A 72 72 TYR N N 72 121.105 120.587 0.518 1
1 770 . 8 1 1 A 72 72 TYR H H 72 9.200 8.441 0.759 1
1 771 . 8 1 1 A 72 72 TYR CA C 72 56.112 55.675 0.437 1
1 772 . 8 1 1 A 72 72 TYR HA H 72 5.600 5.699 -0.099 1
1 773 . 8 1 1 A 72 72 TYR CB C 72 41.878 41.933 -0.055 1
1 783 . 8 1 1 A 72 72 TYR C C 72 173.176 173.236 -0.060 1
1 785 . 8 1 1 A 73 73 VAL N N 73 118.799 119.776 -0.977 1
1 786 . 8 1 1 A 73 73 VAL H H 73 8.214 8.670 -0.456 1
1 787 . 8 1 1 A 73 73 VAL CA C 73 61.111 61.548 -0.437 1
1 788 . 8 1 1 A 73 73 VAL HA H 73 4.514 4.846 -0.332 1
1 789 . 8 1 1 A 73 73 VAL CB C 73 35.729 34.889 0.840 1
1 799 . 8 1 1 A 73 73 VAL C C 73 175.529 175.123 0.406 1
1 800 . 8 1 1 A 74 74 VAL N N 74 121.061 124.160 -3.099 1
1 801 . 8 1 1 A 74 74 VAL H H 74 8.947 8.890 0.057 1
1 802 . 8 1 1 A 74 74 VAL CA C 74 59.858 60.480 -0.622 1
1 803 . 8 1 1 A 74 74 VAL HA H 74 4.785 4.817 -0.032 1
1 804 . 8 1 1 A 74 74 VAL CB C 74 32.795 33.236 -0.441 1
1 814 . 8 1 1 A 74 74 VAL C C 74 176.022 176.246 -0.224 1
1 815 . 8 1 1 A 75 75 LYS N N 75 120.273 121.502 -1.229 1
1 816 . 8 1 1 A 75 75 LYS H H 75 9.404 8.991 0.413 1
1 817 . 8 1 1 A 75 75 LYS CA C 75 55.705 55.841 -0.136 1
1 818 . 8 1 1 A 75 75 LYS HA H 75 4.653 4.668 -0.015 1
1 819 . 8 1 1 A 75 75 LYS CB C 75 34.767 33.005 1.762 1
1 827 . 8 1 1 A 75 75 LYS C C 75 175.025 175.715 -0.690 1
1 832 . 8 1 1 A 76 76 GLU N N 76 117.540 119.604 -2.064 1
1 833 . 8 1 1 A 76 76 GLU H H 76 7.224 7.823 -0.599 1
1 834 . 8 1 1 A 76 76 GLU CA C 76 54.893 55.850 -0.957 1
1 835 . 8 1 1 A 76 76 GLU HA H 76 4.747 4.765 -0.018 1
1 836 . 8 1 1 A 76 76 GLU CB C 76 33.199 33.211 -0.012 1
1 840 . 8 1 1 A 76 76 GLU C C 76 175.664 174.633 1.031 1
1 843 . 8 1 1 A 77 77 ARG N N 77 125.564 120.768 4.796 1
1 844 . 8 1 1 A 77 77 ARG H H 77 8.906 8.525 0.381 1
1 845 . 8 1 1 A 77 77 ARG CA C 77 56.610 54.086 2.524 1
1 846 . 8 1 1 A 77 77 ARG HA H 77 4.234 5.262 -1.028 1
1 847 . 8 1 1 A 77 77 ARG CB C 77 31.036 33.729 -2.693 1
1 855 . 8 1 1 A 77 77 ARG C C 77 174.779 175.071 -0.292 1
1 859 . 8 1 1 A 78 78 GLY N N 78 108.773 106.430 2.343 1
1 860 . 8 1 1 A 78 78 GLY H H 78 8.928 8.376 0.552 1
1 861 . 8 1 1 A 78 78 GLY CA C 78 44.418 45.140 -0.722 1
1 862 . 8 1 1 A 78 78 GLY HA3 H 78 3.770 4.238 -0.468 1
1 863 . 8 1 1 A 78 78 GLY C C 78 171.452 172.247 -0.795 1
1 864 . 8 1 1 A 78 78 GLY HA2 H 78 4.467 4.194 0.273 1
1 865 . 8 1 1 A 79 79 ASP N N 79 120.109 122.050 -1.941 1
1 866 . 8 1 1 A 79 79 ASP H H 79 8.070 8.527 -0.457 1
1 867 . 8 1 1 A 79 79 ASP CA C 79 54.204 52.740 1.464 1
1 868 . 8 1 1 A 79 79 ASP HA H 79 5.344 5.551 -0.207 1
1 869 . 8 1 1 A 79 79 ASP CB C 79 42.148 42.263 -0.115 1
1 871 . 8 1 1 A 79 79 ASP C C 79 175.474 174.804 0.670 1
1 873 . 8 1 1 A 80 80 TYR N N 80 121.969 124.074 -2.105 1
1 874 . 8 1 1 A 80 80 TYR H H 80 9.412 9.200 0.212 1
1 875 . 8 1 1 A 80 80 TYR CA C 80 56.872 57.714 -0.842 1
1 876 . 8 1 1 A 80 80 TYR HA H 80 4.821 5.007 -0.186 1
1 877 . 8 1 1 A 80 80 TYR CB C 80 41.557 40.382 1.175 1
1 887 . 8 1 1 A 80 80 TYR C C 80 175.552 175.868 -0.316 1
1 889 . 8 1 1 A 81 81 VAL N N 81 121.669 120.185 1.484 1
1 890 . 8 1 1 A 81 81 VAL H H 81 8.688 8.759 -0.071 1
1 891 . 8 1 1 A 81 81 VAL CA C 81 61.217 61.621 -0.404 1
1 892 . 8 1 1 A 81 81 VAL HA H 81 4.606 4.705 -0.099 1
1 893 . 8 1 1 A 81 81 VAL CB C 81 33.990 34.098 -0.108 1
1 903 . 8 1 1 A 81 81 VAL C C 81 173.568 174.492 -0.924 1
1 904 . 8 1 1 A 82 82 LEU N N 82 129.806 130.608 -0.802 1
1 905 . 8 1 1 A 82 82 LEU H H 82 8.873 8.522 0.351 1
1 906 . 8 1 1 A 82 82 LEU CA C 82 53.321 54.091 -0.770 1
1 907 . 8 1 1 A 82 82 LEU HA H 82 5.150 4.876 0.274 1
1 908 . 8 1 1 A 82 82 LEU CB C 82 44.594 43.259 1.335 1
1 920 . 8 1 1 A 82 82 LEU C C 82 174.427 174.880 -0.453 1
1 922 . 8 1 1 A 83 83 ALA N N 83 128.482 130.570 -2.088 1
1 923 . 8 1 1 A 83 83 ALA H H 83 9.294 9.060 0.234 1
1 924 . 8 1 1 A 83 83 ALA CA C 83 50.133 50.421 -0.288 1
1 925 . 8 1 1 A 83 83 ALA HA H 83 5.081 5.135 -0.054 1
1 926 . 8 1 1 A 83 83 ALA CB C 83 21.500 20.456 1.044 1
1 930 . 8 1 1 A 83 83 ALA C C 83 174.991 176.008 -1.017 1
1 931 . 8 1 1 A 84 84 VAL N N 84 121.691 123.738 -2.047 1
1 932 . 8 1 1 A 84 84 VAL H H 84 9.222 9.015 0.207 1
1 933 . 8 1 1 A 84 84 VAL CA C 84 61.324 61.261 0.063 1
1 934 . 8 1 1 A 84 84 VAL HA H 84 4.785 4.880 -0.095 1
1 935 . 8 1 1 A 84 84 VAL CB C 84 34.116 34.261 -0.145 1
1 945 . 8 1 1 A 84 84 VAL C C 84 174.156 174.709 -0.553 1
1 946 . 8 1 1 A 85 85 LYS N N 85 124.020 125.850 -1.830 1
1 947 . 8 1 1 A 85 85 LYS H H 85 9.193 8.543 0.650 1
1 948 . 8 1 1 A 85 85 LYS CA C 85 54.222 54.078 0.144 1
1 949 . 8 1 1 A 85 85 LYS HA H 85 4.958 5.243 -0.285 1
1 950 . 8 1 1 A 85 85 LYS CB C 85 34.814 35.653 -0.839 1
1 958 . 8 1 1 A 85 85 LYS C C 85 173.704 175.015 -1.311 1
1 963 . 8 1 1 A 86 86 TRP N N 86 123.429 124.497 -1.068 1
1 964 . 8 1 1 A 86 86 TRP H H 86 8.623 8.881 -0.258 1
1 965 . 8 1 1 A 86 86 TRP CA C 86 53.803 56.617 -2.814 1
1 966 . 8 1 1 A 86 86 TRP HA H 86 5.583 4.920 0.663 1
1 967 . 8 1 1 A 86 86 TRP CB C 86 32.084 31.779 0.305 1
1 981 . 8 1 1 A 86 86 TRP C C 86 176.916 175.912 1.004 1
1 983 . 8 1 1 A 87 87 GLY N N 87 116.722 114.637 2.085 1
1 984 . 8 1 1 A 87 87 GLY H H 87 8.782 9.200 -0.418 1
1 985 . 8 1 1 A 87 87 GLY CA C 87 46.432 46.694 -0.262 1
1 986 . 8 1 1 A 87 87 GLY HA3 H 87 3.152 3.594 -0.442 1
1 987 . 8 1 1 A 87 87 GLY C C 87 173.838 174.086 -0.248 1
1 988 . 8 1 1 A 87 87 GLY HA2 H 87 3.732 3.402 0.330 1
1 989 . 8 1 1 A 88 88 GLU N N 88 122.405 110.591 11.814 1
1 990 . 8 1 1 A 88 88 GLU H H 88 8.592 8.421 0.171 1
1 991 . 8 1 1 A 88 88 GLU CA C 88 56.004 57.642 -1.638 1
1 992 . 8 1 1 A 88 88 GLU HA H 88 4.057 3.816 0.241 1
1 993 . 8 1 1 A 88 88 GLU CB C 88 29.764 27.481 2.283 1
1 997 . 8 1 1 A 88 88 GLU C C 88 176.465 174.872 1.593 1
1 1000 . 8 1 1 A 89 89 GLU N N 89 117.358 117.210 0.148 1
1 1001 . 8 1 1 A 89 89 GLU H H 89 7.226 7.578 -0.352 1
1 1002 . 8 1 1 A 89 89 GLU CA C 89 54.921 54.802 0.119 1
1 1003 . 8 1 1 A 89 89 GLU HA H 89 4.580 5.172 -0.592 1
1 1004 . 8 1 1 A 89 89 GLU CB C 89 33.160 34.351 -1.191 1
1 1008 . 8 1 1 A 89 89 GLU C C 89 175.674 175.124 0.550 1
1 1011 . 8 1 1 A 90 90 HIS N N 90 122.210 116.463 5.747 1
1 1012 . 8 1 1 A 90 90 HIS H H 90 8.603 8.846 -0.243 1
1 1013 . 8 1 1 A 90 90 HIS CA C 90 58.321 54.506 3.815 1
1 1014 . 8 1 1 A 90 90 HIS HA H 90 4.343 5.229 -0.886 1
1 1015 . 8 1 1 A 90 90 HIS CB C 90 32.786 31.924 0.862 1
1 1021 . 8 1 1 A 90 90 HIS C C 90 177.001 175.301 1.700 1
1 1023 . 8 1 1 A 91 91 ILE N N 91 117.760 122.768 -5.008 1
1 1024 . 8 1 1 A 91 91 ILE H H 91 8.289 8.079 0.210 1
1 1025 . 8 1 1 A 91 91 ILE CA C 91 61.019 60.299 0.720 1
1 1026 . 8 1 1 A 91 91 ILE HA H 91 4.482 4.205 0.277 1
1 1027 . 8 1 1 A 91 91 ILE CB C 91 35.655 37.929 -2.274 1
1 1039 . 8 1 1 A 91 91 ILE C C 91 173.231 175.471 -2.240 1
1 1041 . 8 1 1 A 92 92 PRO CA C 92 65.378 63.417 1.961 1
1 1042 . 8 1 1 A 92 92 PRO HA H 92 4.207 4.387 -0.180 1
1 1043 . 8 1 1 A 92 92 PRO CB C 92 31.301 30.920 0.381 1
1 1049 . 8 1 1 A 92 92 PRO C C 92 177.559 177.347 0.212 1
1 1053 . 8 1 1 A 93 93 GLY N N 93 115.174 113.377 1.797 1
1 1054 . 8 1 1 A 93 93 GLY H H 93 8.291 8.214 0.077 1
1 1055 . 8 1 1 A 93 93 GLY CA C 93 44.729 44.788 -0.059 1
1 1056 . 8 1 1 A 93 93 GLY HA3 H 93 3.122 3.686 -0.564 1
1 1057 . 8 1 1 A 93 93 GLY C C 93 171.695 173.552 -1.857 1
1 1058 . 8 1 1 A 93 93 GLY HA2 H 93 4.116 3.530 0.586 1
1 1059 . 8 1 1 A 94 94 SER N N 94 112.948 116.979 -4.031 1
1 1060 . 8 1 1 A 94 94 SER H H 94 7.612 7.392 0.220 1
1 1061 . 8 1 1 A 94 94 SER CA C 94 54.585 55.206 -0.621 1
1 1062 . 8 1 1 A 94 94 SER HA H 94 4.002 4.561 -0.559 1
1 1063 . 8 1 1 A 94 94 SER CB C 94 62.348 64.650 -2.302 1
1 1065 . 8 1 1 A 94 94 SER C C 94 174.321 172.558 1.763 1
1 1067 . 8 1 1 A 95 95 PRO CA C 95 62.338 62.944 -0.606 1
1 1068 . 8 1 1 A 95 95 PRO HA H 95 5.296 4.838 0.458 1
1 1069 . 8 1 1 A 95 95 PRO CB C 95 33.730 32.431 1.299 1
1 1075 . 8 1 1 A 95 95 PRO C C 95 175.728 176.984 -1.256 1
1 1079 . 8 1 1 A 96 96 PHE N N 96 124.415 121.430 2.985 1
1 1080 . 8 1 1 A 96 96 PHE H H 96 9.643 8.527 1.116 1
1 1081 . 8 1 1 A 96 96 PHE CA C 96 57.405 57.917 -0.512 1
1 1082 . 8 1 1 A 96 96 PHE HA H 96 4.474 4.936 -0.462 1
1 1083 . 8 1 1 A 96 96 PHE CB C 96 40.160 39.835 0.325 1
1 1095 . 8 1 1 A 96 96 PHE C C 96 175.736 175.721 0.015 1
1 1097 . 8 1 1 A 97 97 HIS N N 97 121.364 121.424 -0.060 1
1 1098 . 8 1 1 A 97 97 HIS H H 97 8.898 8.961 -0.063 1
1 1099 . 8 1 1 A 97 97 HIS CA C 97 55.214 54.384 0.830 1
1 1100 . 8 1 1 A 97 97 HIS HA H 97 5.124 5.345 -0.221 1
1 1101 . 8 1 1 A 97 97 HIS CB C 97 29.981 31.726 -1.745 1
1 1107 . 8 1 1 A 97 97 HIS C C 97 173.895 173.492 0.403 1
1 1109 . 8 1 1 A 98 98 VAL N N 98 127.912 129.199 -1.287 1
1 1110 . 8 1 1 A 98 98 VAL H H 98 8.582 8.687 -0.105 1
1 1111 . 8 1 1 A 98 98 VAL CA C 98 61.467 61.151 0.316 1
1 1112 . 8 1 1 A 98 98 VAL HA H 98 4.096 4.600 -0.504 1
1 1113 . 8 1 1 A 98 98 VAL CB C 98 35.455 33.200 2.255 1
1 1123 . 8 1 1 A 98 98 VAL C C 98 174.874 175.031 -0.157 1
1 1124 . 8 1 1 A 99 99 THR N N 99 123.090 123.885 -0.795 1
1 1125 . 8 1 1 A 99 99 THR H H 99 8.117 8.730 -0.613 1
1 1126 . 8 1 1 A 99 99 THR CA C 99 62.031 61.800 0.231 1
1 1127 . 8 1 1 A 99 99 THR HA H 99 4.852 4.946 -0.094 1
1 1128 . 8 1 1 A 99 99 THR CB C 99 70.661 70.708 -0.047 1
1 1134 . 8 1 1 A 99 99 THR C C 99 173.264 174.032 -0.768 1
1 1135 . 8 1 1 A 100 100 VAL N N 100 129.827 126.336 3.491 1
1 1136 . 8 1 1 A 100 100 VAL H H 100 8.812 8.804 0.008 1
1 1137 . 8 1 1 A 100 100 VAL CA C 100 58.577 58.485 0.092 1
1 1138 . 8 1 1 A 100 100 VAL HA H 100 5.053 4.602 0.451 1
1 1139 . 8 1 1 A 100 100 VAL CB C 100 33.365 34.277 -0.912 1
1 1149 . 8 1 1 A 100 100 VAL C C 100 174.927 174.092 0.835 1
1 1 . 9 1 1 A 6 6 SER CA C 6 58.666 57.014 1.652 1
1 2 . 9 1 1 A 6 6 SER HA H 6 4.514 5.019 -0.505 1
1 3 . 9 1 1 A 6 6 SER CB C 6 63.933 65.469 -1.536 1
1 5 . 9 1 1 A 6 6 SER C C 6 175.074 173.421 1.653 1
1 7 . 9 1 1 A 7 7 GLY N N 7 110.792 115.900 -5.108 1
1 8 . 9 1 1 A 7 7 GLY H H 7 8.450 8.431 0.019 1
1 9 . 9 1 1 A 7 7 GLY CA C 7 45.406 44.561 0.845 1
1 10 . 9 1 1 A 7 7 GLY HA3 H 7 4.052 4.231 -0.179 1
1 11 . 9 1 1 A 7 7 GLY C C 7 174.270 173.161 1.109 1
1 12 . 9 1 1 A 7 7 GLY HA2 H 7 4.052 4.225 -0.173 1
1 13 . 9 1 1 A 8 8 SER N N 8 115.558 117.140 -1.582 1
1 14 . 9 1 1 A 8 8 SER H H 8 8.274 8.476 -0.202 1
1 15 . 9 1 1 A 8 8 SER CA C 8 58.332 58.450 -0.118 1
1 16 . 9 1 1 A 8 8 SER HA H 8 4.557 4.550 0.007 1
1 17 . 9 1 1 A 8 8 SER CB C 8 63.930 63.805 0.125 1
1 19 . 9 1 1 A 8 8 SER C C 8 174.064 174.607 -0.543 1
1 21 . 9 1 1 A 9 9 SER N N 9 116.801 121.404 -4.603 1
1 22 . 9 1 1 A 9 9 SER H H 9 8.227 8.605 -0.378 1
1 23 . 9 1 1 A 9 9 SER CA C 9 58.075 59.233 -1.158 1
1 24 . 9 1 1 A 9 9 SER HA H 9 5.001 4.629 0.372 1
1 25 . 9 1 1 A 9 9 SER CB C 9 64.491 64.047 0.444 1
1 27 . 9 1 1 A 9 9 SER C C 9 174.318 173.988 0.330 1
1 29 . 9 1 1 A 10 10 ASP N N 10 122.324 125.816 -3.492 1
1 30 . 9 1 1 A 10 10 ASP H H 10 8.262 8.104 0.158 1
1 31 . 9 1 1 A 10 10 ASP CA C 10 53.833 53.703 0.130 1
1 32 . 9 1 1 A 10 10 ASP HA H 10 4.892 5.185 -0.293 1
1 33 . 9 1 1 A 10 10 ASP CB C 10 41.497 43.344 -1.847 1
1 35 . 9 1 1 A 10 10 ASP C C 10 176.306 176.533 -0.227 1
1 37 . 9 1 1 A 11 11 ALA N N 11 126.255 128.712 -2.457 1
1 38 . 9 1 1 A 11 11 ALA H H 11 9.091 8.796 0.295 1
1 39 . 9 1 1 A 11 11 ALA CA C 11 54.713 54.520 0.193 1
1 40 . 9 1 1 A 11 11 ALA HA H 11 4.056 4.199 -0.143 1
1 41 . 9 1 1 A 11 11 ALA CB C 11 20.177 19.318 0.859 1
1 45 . 9 1 1 A 11 11 ALA C C 11 177.950 179.272 -1.322 1
1 46 . 9 1 1 A 12 12 SER N N 12 110.658 113.453 -2.795 1
1 47 . 9 1 1 A 12 12 SER H H 12 8.224 7.885 0.339 1
1 48 . 9 1 1 A 12 12 SER CA C 12 60.857 61.002 -0.145 1
1 49 . 9 1 1 A 12 12 SER HA H 12 4.240 4.256 -0.016 1
1 50 . 9 1 1 A 12 12 SER CB C 12 62.964 62.970 -0.006 1
1 52 . 9 1 1 A 12 12 SER C C 12 175.312 175.676 -0.364 1
1 54 . 9 1 1 A 13 13 LYS N N 13 119.063 117.791 1.272 1
1 55 . 9 1 1 A 13 13 LYS H H 13 7.349 7.599 -0.250 1
1 56 . 9 1 1 A 13 13 LYS CA C 13 54.948 57.023 -2.075 1
1 57 . 9 1 1 A 13 13 LYS HA H 13 4.293 4.361 -0.068 1
1 58 . 9 1 1 A 13 13 LYS CB C 13 33.037 33.528 -0.491 1
1 66 . 9 1 1 A 13 13 LYS C C 13 177.263 177.179 0.084 1
1 71 . 9 1 1 A 14 14 VAL N N 14 124.317 120.501 3.816 1
1 72 . 9 1 1 A 14 14 VAL H H 14 7.500 7.211 0.289 1
1 73 . 9 1 1 A 14 14 VAL CA C 14 63.797 63.251 0.546 1
1 74 . 9 1 1 A 14 14 VAL HA H 14 3.870 3.728 0.142 1
1 75 . 9 1 1 A 14 14 VAL CB C 14 31.996 31.357 0.639 1
1 85 . 9 1 1 A 14 14 VAL C C 14 175.873 175.396 0.477 1
1 86 . 9 1 1 A 15 15 THR N N 15 117.704 118.144 -0.440 1
1 87 . 9 1 1 A 15 15 THR H H 15 8.197 8.583 -0.386 1
1 88 . 9 1 1 A 15 15 THR CA C 15 59.805 59.773 0.032 1
1 89 . 9 1 1 A 15 15 THR HA H 15 4.911 5.240 -0.329 1
1 90 . 9 1 1 A 15 15 THR CB C 15 71.373 71.828 -0.455 1
1 96 . 9 1 1 A 15 15 THR C C 15 172.695 173.784 -1.089 1
1 97 . 9 1 1 A 16 16 SER N N 16 113.256 117.953 -4.697 1
1 98 . 9 1 1 A 16 16 SER H H 16 8.442 9.067 -0.625 1
1 99 . 9 1 1 A 16 16 SER CA C 16 57.155 56.358 0.797 1
1 100 . 9 1 1 A 16 16 SER HA H 16 5.564 5.533 0.031 1
1 101 . 9 1 1 A 16 16 SER CB C 16 66.124 65.857 0.267 1
1 103 . 9 1 1 A 16 16 SER C C 16 173.455 173.536 -0.081 1
1 105 . 9 1 1 A 17 17 LYS N N 17 117.543 120.500 -2.957 1
1 106 . 9 1 1 A 17 17 LYS H H 17 8.870 8.956 -0.086 1
1 107 . 9 1 1 A 17 17 LYS CA C 17 56.063 54.359 1.704 1
1 108 . 9 1 1 A 17 17 LYS HA H 17 4.673 5.080 -0.407 1
1 109 . 9 1 1 A 17 17 LYS CB C 17 35.602 36.553 -0.951 1
1 117 . 9 1 1 A 17 17 LYS C C 17 174.625 174.851 -0.226 1
1 122 . 9 1 1 A 18 18 GLY N N 18 110.702 107.874 2.828 1
1 123 . 9 1 1 A 18 18 GLY H H 18 8.746 8.540 0.206 1
1 124 . 9 1 1 A 18 18 GLY CA C 18 44.501 44.644 -0.143 1
1 125 . 9 1 1 A 18 18 GLY HA3 H 18 3.998 4.303 -0.305 1
1 126 . 9 1 1 A 18 18 GLY C C 18 175.460 174.760 0.700 1
1 127 . 9 1 1 A 18 18 GLY HA2 H 18 4.947 4.264 0.683 1
1 128 . 9 1 1 A 19 19 ALA CA C 19 55.387 54.984 0.403 1
1 129 . 9 1 1 A 19 19 ALA HA H 19 4.229 4.016 0.213 1
1 130 . 9 1 1 A 19 19 ALA CB C 19 18.689 18.709 -0.020 1
1 134 . 9 1 1 A 19 19 ALA C C 19 179.606 179.790 -0.184 1
1 135 . 9 1 1 A 20 20 GLY N N 20 101.587 106.991 -5.404 1
1 136 . 9 1 1 A 20 20 GLY H H 20 8.466 8.221 0.245 1
1 137 . 9 1 1 A 20 20 GLY CA C 20 46.078 47.036 -0.958 1
1 138 . 9 1 1 A 20 20 GLY HA3 H 20 3.596 3.744 -0.148 1
1 139 . 9 1 1 A 20 20 GLY C C 20 173.214 176.352 -3.138 1
1 140 . 9 1 1 A 20 20 GLY HA2 H 20 4.689 3.711 0.978 1
1 141 . 9 1 1 A 21 21 LEU N N 21 115.987 122.859 -6.872 1
1 142 . 9 1 1 A 21 21 LEU H H 21 6.928 7.870 -0.942 1
1 143 . 9 1 1 A 21 21 LEU CA C 21 55.567 57.142 -1.575 1
1 144 . 9 1 1 A 21 21 LEU HA H 21 3.404 3.774 -0.370 1
1 145 . 9 1 1 A 21 21 LEU CB C 21 41.702 40.859 0.843 1
1 157 . 9 1 1 A 21 21 LEU C C 21 175.989 179.369 -3.380 1
1 159 . 9 1 1 A 22 22 SER N N 22 106.483 113.020 -6.537 1
1 160 . 9 1 1 A 22 22 SER H H 22 7.808 8.015 -0.207 1
1 161 . 9 1 1 A 22 22 SER CA C 22 58.956 60.948 -1.992 1
1 162 . 9 1 1 A 22 22 SER HA H 22 4.901 4.402 0.499 1
1 163 . 9 1 1 A 22 22 SER CB C 22 66.238 63.546 2.692 1
1 165 . 9 1 1 A 22 22 SER C C 22 174.051 174.031 0.020 1
1 167 . 9 1 1 A 23 23 LYS N N 23 124.757 114.836 9.921 1
1 168 . 9 1 1 A 23 23 LYS H H 23 8.399 7.897 0.502 1
1 169 . 9 1 1 A 23 23 LYS CA C 23 55.676 54.822 0.854 1
1 170 . 9 1 1 A 23 23 LYS HA H 23 4.973 4.663 0.310 1
1 171 . 9 1 1 A 23 23 LYS CB C 23 36.338 35.647 0.691 1
1 179 . 9 1 1 A 23 23 LYS C C 23 173.136 173.838 -0.702 1
1 184 . 9 1 1 A 24 24 ALA N N 24 123.565 121.615 1.950 1
1 185 . 9 1 1 A 24 24 ALA H H 24 7.541 8.703 -1.162 1
1 186 . 9 1 1 A 24 24 ALA CA C 24 51.148 49.586 1.562 1
1 187 . 9 1 1 A 24 24 ALA HA H 24 4.256 5.082 -0.826 1
1 188 . 9 1 1 A 24 24 ALA CB C 24 22.019 23.003 -0.984 1
1 192 . 9 1 1 A 24 24 ALA C C 24 173.515 175.365 -1.850 1
1 193 . 9 1 1 A 25 25 PHE N N 25 114.269 118.633 -4.364 1
1 194 . 9 1 1 A 25 25 PHE H H 25 7.858 8.706 -0.848 1
1 195 . 9 1 1 A 25 25 PHE CA C 25 55.809 56.448 -0.639 1
1 196 . 9 1 1 A 25 25 PHE HA H 25 5.191 5.001 0.190 1
1 197 . 9 1 1 A 25 25 PHE CB C 25 41.943 41.760 0.183 1
1 209 . 9 1 1 A 25 25 PHE C C 25 177.046 175.708 1.338 1
1 211 . 9 1 1 A 26 26 VAL N N 26 123.270 123.326 -0.056 1
1 212 . 9 1 1 A 26 26 VAL H H 26 9.338 8.771 0.567 1
1 213 . 9 1 1 A 26 26 VAL CA C 26 65.054 65.232 -0.178 1
1 214 . 9 1 1 A 26 26 VAL HA H 26 3.441 3.881 -0.440 1
1 215 . 9 1 1 A 26 26 VAL CB C 26 31.757 31.596 0.161 1
1 225 . 9 1 1 A 26 26 VAL C C 26 178.201 177.293 0.908 1
1 226 . 9 1 1 A 27 27 GLY N N 27 112.668 114.968 -2.300 1
1 227 . 9 1 1 A 27 27 GLY H H 27 8.862 8.832 0.030 1
1 228 . 9 1 1 A 27 27 GLY CA C 27 45.857 45.440 0.417 1
1 229 . 9 1 1 A 27 27 GLY HA3 H 27 4.229 4.015 0.214 1
1 230 . 9 1 1 A 27 27 GLY C C 27 173.411 174.246 -0.835 1
1 231 . 9 1 1 A 27 27 GLY HA2 H 27 3.631 4.014 -0.383 1
1 232 . 9 1 1 A 28 28 GLN N N 28 118.568 120.769 -2.201 1
1 233 . 9 1 1 A 28 28 GLN H H 28 7.755 8.001 -0.246 1
1 234 . 9 1 1 A 28 28 GLN CA C 28 53.825 56.691 -2.866 1
1 235 . 9 1 1 A 28 28 GLN HA H 28 4.690 4.355 0.335 1
1 236 . 9 1 1 A 28 28 GLN CB C 28 30.975 29.946 1.029 1
1 243 . 9 1 1 A 28 28 GLN C C 28 175.517 175.339 0.178 1
1 246 . 9 1 1 A 29 29 LYS N N 29 123.598 124.757 -1.159 1
1 247 . 9 1 1 A 29 29 LYS H H 29 8.839 8.649 0.190 1
1 248 . 9 1 1 A 29 29 LYS CA C 29 57.587 55.663 1.924 1
1 249 . 9 1 1 A 29 29 LYS HA H 29 4.158 4.653 -0.495 1
1 250 . 9 1 1 A 29 29 LYS CB C 29 32.381 33.010 -0.629 1
1 258 . 9 1 1 A 29 29 LYS C C 29 176.190 174.743 1.447 1
1 263 . 9 1 1 A 30 30 SER N N 30 124.030 123.787 0.243 1
1 264 . 9 1 1 A 30 30 SER H H 30 8.694 7.991 0.703 1
1 265 . 9 1 1 A 30 30 SER CA C 30 57.560 58.790 -1.230 1
1 266 . 9 1 1 A 30 30 SER HA H 30 4.758 4.628 0.130 1
1 267 . 9 1 1 A 30 30 SER CB C 30 64.143 63.328 0.815 1
1 269 . 9 1 1 A 30 30 SER C C 30 173.413 174.221 -0.808 1
1 271 . 9 1 1 A 31 31 SER N N 31 116.828 118.602 -1.774 1
1 272 . 9 1 1 A 31 31 SER H H 31 8.894 8.678 0.216 1
1 273 . 9 1 1 A 31 31 SER CA C 31 57.132 55.493 1.639 1
1 274 . 9 1 1 A 31 31 SER HA H 31 6.181 5.314 0.867 1
1 275 . 9 1 1 A 31 31 SER CB C 31 67.745 66.478 1.267 1
1 277 . 9 1 1 A 31 31 SER C C 31 174.171 173.618 0.553 1
1 279 . 9 1 1 A 32 32 PHE N N 32 117.724 117.231 0.493 1
1 280 . 9 1 1 A 32 32 PHE H H 32 8.853 8.225 0.628 1
1 281 . 9 1 1 A 32 32 PHE CA C 32 57.190 56.109 1.081 1
1 282 . 9 1 1 A 32 32 PHE HA H 32 5.016 5.162 -0.146 1
1 283 . 9 1 1 A 32 32 PHE CB C 32 40.712 41.510 -0.798 1
1 295 . 9 1 1 A 32 32 PHE C C 32 170.765 172.240 -1.475 1
1 297 . 9 1 1 A 33 33 LEU N N 33 121.533 124.149 -2.616 1
1 298 . 9 1 1 A 33 33 LEU H H 33 9.223 8.667 0.556 1
1 299 . 9 1 1 A 33 33 LEU CA C 33 53.636 53.494 0.142 1
1 300 . 9 1 1 A 33 33 LEU HA H 33 5.531 5.217 0.314 1
1 301 . 9 1 1 A 33 33 LEU CB C 33 46.278 45.362 0.916 1
1 313 . 9 1 1 A 33 33 LEU C C 33 176.559 174.490 2.069 1
1 315 . 9 1 1 A 34 34 VAL N N 34 123.140 126.315 -3.175 1
1 316 . 9 1 1 A 34 34 VAL H H 34 9.257 8.574 0.683 1
1 317 . 9 1 1 A 34 34 VAL CA C 34 61.182 61.368 -0.186 1
1 318 . 9 1 1 A 34 34 VAL HA H 34 4.785 4.880 -0.095 1
1 319 . 9 1 1 A 34 34 VAL CB C 34 34.589 34.839 -0.250 1
1 329 . 9 1 1 A 34 34 VAL C C 34 174.370 174.186 0.184 1
1 330 . 9 1 1 A 35 35 ASP N N 35 126.353 127.949 -1.596 1
1 331 . 9 1 1 A 35 35 ASP H H 35 9.312 9.003 0.309 1
1 332 . 9 1 1 A 35 35 ASP CA C 35 53.298 53.707 -0.409 1
1 333 . 9 1 1 A 35 35 ASP HA H 35 5.229 4.875 0.354 1
1 334 . 9 1 1 A 35 35 ASP CB C 35 41.538 40.853 0.685 1
1 336 . 9 1 1 A 35 35 ASP C C 35 176.980 176.101 0.879 1
1 338 . 9 1 1 A 36 36 CYS N N 36 125.342 125.924 -0.582 1
1 339 . 9 1 1 A 36 36 CYS H H 36 9.275 8.454 0.821 1
1 340 . 9 1 1 A 36 36 CYS CA C 36 57.367 58.219 -0.852 1
1 341 . 9 1 1 A 36 36 CYS HA H 36 4.374 4.569 -0.195 1
1 342 . 9 1 1 A 36 36 CYS CB C 36 28.369 27.955 0.414 1
1 344 . 9 1 1 A 36 36 CYS C C 36 177.015 175.041 1.974 1
1 346 . 9 1 1 A 37 37 SER N N 37 119.973 117.746 2.227 1
1 347 . 9 1 1 A 37 37 SER H H 37 9.039 7.678 1.361 1
1 348 . 9 1 1 A 37 37 SER CA C 37 62.787 61.615 1.172 1
1 349 . 9 1 1 A 37 37 SER HA H 37 3.932 4.111 -0.179 1
1 350 . 9 1 1 A 37 37 SER CB C 37 62.982 63.155 -0.173 1
1 352 . 9 1 1 A 37 37 SER C C 37 176.290 176.542 -0.252 1
1 354 . 9 1 1 A 38 38 LYS N N 38 120.815 119.222 1.593 1
1 355 . 9 1 1 A 38 38 LYS H H 38 8.676 8.127 0.549 1
1 356 . 9 1 1 A 38 38 LYS CA C 38 55.123 58.549 -3.426 1
1 357 . 9 1 1 A 38 38 LYS HA H 38 4.730 4.150 0.580 1
1 358 . 9 1 1 A 38 38 LYS CB C 38 32.250 31.373 0.877 1
1 366 . 9 1 1 A 38 38 LYS C C 38 176.385 178.795 -2.410 1
1 371 . 9 1 1 A 39 39 ALA N N 39 121.594 121.979 -0.385 1
1 372 . 9 1 1 A 39 39 ALA H H 39 7.322 7.873 -0.551 1
1 373 . 9 1 1 A 39 39 ALA CA C 39 52.127 54.873 -2.746 1
1 374 . 9 1 1 A 39 39 ALA HA H 39 4.436 4.034 0.402 1
1 375 . 9 1 1 A 39 39 ALA CB C 39 21.347 19.294 2.053 1
1 379 . 9 1 1 A 39 39 ALA C C 39 177.453 177.782 -0.329 1
1 380 . 9 1 1 A 40 40 GLY N N 40 111.873 102.775 9.098 1
1 381 . 9 1 1 A 40 40 GLY H H 40 8.755 7.270 1.485 1
1 382 . 9 1 1 A 40 40 GLY CA C 40 45.619 46.064 -0.445 1
1 383 . 9 1 1 A 40 40 GLY HA3 H 40 4.329 4.316 0.013 1
1 384 . 9 1 1 A 40 40 GLY C C 40 173.801 172.598 1.203 1
1 385 . 9 1 1 A 40 40 GLY HA2 H 40 3.754 4.253 -0.499 1
1 386 . 9 1 1 A 41 41 SER N N 41 117.149 117.865 -0.716 1
1 387 . 9 1 1 A 41 41 SER H H 41 8.524 8.732 -0.208 1
1 388 . 9 1 1 A 41 41 SER CA C 41 56.849 56.762 0.087 1
1 389 . 9 1 1 A 41 41 SER HA H 41 5.010 4.904 0.106 1
1 390 . 9 1 1 A 41 41 SER CB C 41 63.917 63.156 0.761 1
1 392 . 9 1 1 A 41 41 SER C C 41 172.603 174.163 -1.560 1
1 394 . 9 1 1 A 42 42 ASN N N 42 125.590 119.880 5.710 1
1 395 . 9 1 1 A 42 42 ASN H H 42 7.155 8.355 -1.200 1
1 396 . 9 1 1 A 42 42 ASN CA C 42 50.805 51.449 -0.644 1
1 397 . 9 1 1 A 42 42 ASN HA H 42 3.256 5.019 -1.763 1
1 398 . 9 1 1 A 42 42 ASN CB C 42 39.354 40.943 -1.589 1
1 403 . 9 1 1 A 42 42 ASN C C 42 170.908 173.823 -2.915 1
1 405 . 9 1 1 A 43 43 MET N N 43 115.129 118.729 -3.600 1
1 406 . 9 1 1 A 43 43 MET H H 43 8.366 8.126 0.240 1
1 407 . 9 1 1 A 43 43 MET CA C 43 53.424 53.160 0.264 1
1 408 . 9 1 1 A 43 43 MET HA H 43 4.102 4.957 -0.855 1
1 409 . 9 1 1 A 43 43 MET CB C 43 35.572 34.742 0.830 1
1 417 . 9 1 1 A 43 43 MET C C 43 173.140 174.025 -0.885 1
1 420 . 9 1 1 A 44 44 LEU N N 44 128.038 123.503 4.535 1
1 421 . 9 1 1 A 44 44 LEU H H 44 8.300 8.566 -0.266 1
1 422 . 9 1 1 A 44 44 LEU CA C 44 53.806 53.273 0.533 1
1 423 . 9 1 1 A 44 44 LEU HA H 44 5.331 5.271 0.060 1
1 424 . 9 1 1 A 44 44 LEU CB C 44 43.598 45.182 -1.584 1
1 436 . 9 1 1 A 44 44 LEU C C 44 175.236 175.487 -0.251 1
1 438 . 9 1 1 A 45 45 LEU N N 45 126.999 122.709 4.290 1
1 439 . 9 1 1 A 45 45 LEU H H 45 9.109 8.510 0.599 1
1 440 . 9 1 1 A 45 45 LEU CA C 45 54.800 52.531 2.269 1
1 441 . 9 1 1 A 45 45 LEU HA H 45 5.135 5.348 -0.213 1
1 442 . 9 1 1 A 45 45 LEU CB C 45 45.499 46.118 -0.619 1
1 454 . 9 1 1 A 45 45 LEU C C 45 175.167 175.722 -0.555 1
1 456 . 9 1 1 A 46 46 ILE N N 46 118.172 119.795 -1.623 1
1 457 . 9 1 1 A 46 46 ILE H H 46 7.966 8.595 -0.629 1
1 458 . 9 1 1 A 46 46 ILE CA C 46 58.091 59.753 -1.662 1
1 459 . 9 1 1 A 46 46 ILE HA H 46 5.412 4.983 0.429 1
1 460 . 9 1 1 A 46 46 ILE CB C 46 41.988 42.342 -0.354 1
1 472 . 9 1 1 A 46 46 ILE C C 46 174.748 175.585 -0.837 1
1 474 . 9 1 1 A 47 47 GLY N N 47 110.148 116.064 -5.916 1
1 475 . 9 1 1 A 47 47 GLY H H 47 8.554 9.073 -0.519 1
1 476 . 9 1 1 A 47 47 GLY CA C 47 46.136 46.237 -0.101 1
1 477 . 9 1 1 A 47 47 GLY HA3 H 47 4.604 4.260 0.344 1
1 478 . 9 1 1 A 47 47 GLY C C 47 171.583 173.868 -2.285 1
1 479 . 9 1 1 A 47 47 GLY HA2 H 47 3.933 4.245 -0.312 1
1 480 . 9 1 1 A 48 48 VAL N N 48 120.434 118.223 2.211 1
1 481 . 9 1 1 A 48 48 VAL H H 48 9.048 7.696 1.352 1
1 482 . 9 1 1 A 48 48 VAL CA C 48 61.060 62.310 -1.250 1
1 483 . 9 1 1 A 48 48 VAL HA H 48 5.143 4.070 1.073 1
1 484 . 9 1 1 A 48 48 VAL CB C 48 34.976 31.845 3.131 1
1 494 . 9 1 1 A 48 48 VAL C C 48 175.260 175.265 -0.005 1
1 495 . 9 1 1 A 49 49 HIS N N 49 127.718 127.305 0.413 1
1 496 . 9 1 1 A 49 49 HIS H H 49 9.556 8.972 0.584 1
1 497 . 9 1 1 A 49 49 HIS CA C 49 55.342 56.128 -0.786 1
1 498 . 9 1 1 A 49 49 HIS HA H 49 4.987 4.901 0.086 1
1 499 . 9 1 1 A 49 49 HIS CB C 49 34.476 30.895 3.581 1
1 505 . 9 1 1 A 49 49 HIS C C 49 173.822 174.477 -0.655 1
1 507 . 9 1 1 A 50 50 GLY N N 50 115.577 113.390 2.187 1
1 508 . 9 1 1 A 50 50 GLY H H 50 8.192 8.708 -0.516 1
1 509 . 9 1 1 A 50 50 GLY CA C 50 44.693 46.865 -2.172 1
1 510 . 9 1 1 A 50 50 GLY HA3 H 50 3.247 4.239 -0.992 1
1 511 . 9 1 1 A 50 50 GLY C C 50 171.437 174.134 -2.697 1
1 512 . 9 1 1 A 50 50 GLY HA2 H 50 3.722 4.210 -0.488 1
1 513 . 9 1 1 A 51 51 PRO CA C 51 64.376 64.714 -0.338 1
1 514 . 9 1 1 A 51 51 PRO HA H 51 4.104 4.527 -0.423 1
1 515 . 9 1 1 A 51 51 PRO CB C 51 32.141 31.891 0.250 1
1 521 . 9 1 1 A 51 51 PRO C C 51 177.607 177.573 0.034 1
1 525 . 9 1 1 A 52 52 THR N N 52 109.088 108.333 0.755 1
1 526 . 9 1 1 A 52 52 THR H H 52 8.447 7.823 0.624 1
1 527 . 9 1 1 A 52 52 THR CA C 52 62.861 61.944 0.917 1
1 528 . 9 1 1 A 52 52 THR HA H 52 4.424 4.574 -0.150 1
1 529 . 9 1 1 A 52 52 THR CB C 52 70.329 70.218 0.111 1
1 535 . 9 1 1 A 52 52 THR C C 52 174.926 174.956 -0.030 1
1 536 . 9 1 1 A 53 53 THR N N 53 118.915 115.552 3.363 1
1 537 . 9 1 1 A 53 53 THR H H 53 7.983 7.693 0.290 1
1 538 . 9 1 1 A 53 53 THR CA C 53 59.878 59.093 0.785 1
1 539 . 9 1 1 A 53 53 THR HA H 53 4.751 4.786 -0.035 1
1 540 . 9 1 1 A 53 53 THR CB C 53 71.034 71.968 -0.934 1
1 546 . 9 1 1 A 53 53 THR C C 53 172.019 171.942 0.077 1
1 547 . 9 1 1 A 54 54 PRO CA C 54 62.614 62.313 0.301 1
1 548 . 9 1 1 A 54 54 PRO HA H 54 4.629 4.593 0.036 1
1 549 . 9 1 1 A 54 54 PRO CB C 54 32.845 32.460 0.385 1
1 555 . 9 1 1 A 54 54 PRO C C 54 177.751 176.296 1.455 1
1 559 . 9 1 1 A 55 55 CYS N N 55 121.538 121.331 0.207 1
1 560 . 9 1 1 A 55 55 CYS H H 55 8.938 8.535 0.403 1
1 561 . 9 1 1 A 55 55 CYS CA C 55 60.342 58.049 2.293 1
1 562 . 9 1 1 A 55 55 CYS HA H 55 4.563 4.857 -0.294 1
1 563 . 9 1 1 A 55 55 CYS CB C 55 27.534 29.073 -1.539 1
1 565 . 9 1 1 A 55 55 CYS C C 55 174.437 175.802 -1.365 1
1 567 . 9 1 1 A 56 56 GLU N N 56 124.530 123.885 0.645 1
1 568 . 9 1 1 A 56 56 GLU H H 56 8.450 8.949 -0.499 1
1 569 . 9 1 1 A 56 56 GLU CA C 56 59.363 59.177 0.186 1
1 570 . 9 1 1 A 56 56 GLU HA H 56 4.471 4.232 0.239 1
1 571 . 9 1 1 A 56 56 GLU CB C 56 31.217 30.614 0.603 1
1 575 . 9 1 1 A 56 56 GLU C C 56 176.847 176.635 0.212 1
1 578 . 9 1 1 A 57 57 GLU N N 57 114.661 114.167 0.494 1
1 579 . 9 1 1 A 57 57 GLU H H 57 7.478 7.752 -0.274 1
1 580 . 9 1 1 A 57 57 GLU CA C 57 55.551 55.468 0.083 1
1 581 . 9 1 1 A 57 57 GLU HA H 57 5.414 4.685 0.729 1
1 582 . 9 1 1 A 57 57 GLU CB C 57 34.084 31.626 2.458 1
1 586 . 9 1 1 A 57 57 GLU C C 57 174.400 173.830 0.570 1
1 589 . 9 1 1 A 58 58 VAL N N 58 123.611 119.645 3.966 1
1 590 . 9 1 1 A 58 58 VAL H H 58 8.605 8.436 0.169 1
1 591 . 9 1 1 A 58 58 VAL CA C 58 62.048 61.732 0.316 1
1 592 . 9 1 1 A 58 58 VAL HA H 58 4.941 4.820 0.121 1
1 593 . 9 1 1 A 58 58 VAL CB C 58 35.700 34.639 1.061 1
1 603 . 9 1 1 A 58 58 VAL C C 58 174.426 174.400 0.026 1
1 604 . 9 1 1 A 59 59 SER N N 59 121.592 123.424 -1.832 1
1 605 . 9 1 1 A 59 59 SER H H 59 9.635 9.446 0.189 1
1 606 . 9 1 1 A 59 59 SER CA C 59 57.012 56.916 0.096 1
1 607 . 9 1 1 A 59 59 SER HA H 59 5.526 4.941 0.585 1
1 608 . 9 1 1 A 59 59 SER CB C 59 65.896 64.256 1.640 1
1 610 . 9 1 1 A 59 59 SER C C 59 172.465 173.626 -1.161 1
1 612 . 9 1 1 A 60 60 MET N N 60 122.508 126.604 -4.096 1
1 613 . 9 1 1 A 60 60 MET H H 60 9.435 9.111 0.324 1
1 614 . 9 1 1 A 60 60 MET CA C 60 54.541 53.892 0.649 1
1 615 . 9 1 1 A 60 60 MET HA H 60 5.352 5.713 -0.361 1
1 616 . 9 1 1 A 60 60 MET CB C 60 37.420 34.450 2.970 1
1 624 . 9 1 1 A 60 60 MET C C 60 174.616 175.086 -0.470 1
1 627 . 9 1 1 A 61 61 LYS N N 61 125.580 123.587 1.993 1
1 628 . 9 1 1 A 61 61 LYS H H 61 8.963 9.177 -0.214 1
1 629 . 9 1 1 A 61 61 LYS CA C 61 54.688 54.818 -0.130 1
1 630 . 9 1 1 A 61 61 LYS HA H 61 5.396 4.916 0.480 1
1 631 . 9 1 1 A 61 61 LYS CB C 61 36.412 36.671 -0.259 1
1 639 . 9 1 1 A 61 61 LYS C C 61 175.548 174.815 0.733 1
1 644 . 9 1 1 A 62 62 HIS N N 62 125.822 121.782 4.040 1
1 645 . 9 1 1 A 62 62 HIS H H 62 8.967 8.927 0.040 1
1 646 . 9 1 1 A 62 62 HIS CA C 62 55.674 54.228 1.446 1
1 647 . 9 1 1 A 62 62 HIS HA H 62 4.621 4.896 -0.275 1
1 648 . 9 1 1 A 62 62 HIS CB C 62 29.732 30.209 -0.477 1
1 654 . 9 1 1 A 62 62 HIS C C 62 175.912 175.023 0.889 1
1 656 . 9 1 1 A 63 63 VAL N N 63 124.131 123.685 0.446 1
1 657 . 9 1 1 A 63 63 VAL H H 63 8.633 8.270 0.363 1
1 658 . 9 1 1 A 63 63 VAL CA C 63 61.288 64.122 -2.834 1
1 659 . 9 1 1 A 63 63 VAL HA H 63 4.299 3.676 0.623 1
1 660 . 9 1 1 A 63 63 VAL CB C 63 30.964 32.543 -1.579 1
1 670 . 9 1 1 A 63 63 VAL C C 63 175.339 175.374 -0.035 1
1 671 . 9 1 1 A 64 64 GLY N N 64 108.087 110.199 -2.112 1
1 672 . 9 1 1 A 64 64 GLY H H 64 5.406 6.892 -1.486 1
1 673 . 9 1 1 A 64 64 GLY CA C 64 44.979 43.493 1.486 1
1 674 . 9 1 1 A 64 64 GLY HA3 H 64 3.118 3.759 -0.641 1
1 675 . 9 1 1 A 64 64 GLY C C 64 174.125 173.759 0.366 1
1 676 . 9 1 1 A 64 64 GLY HA2 H 64 4.287 3.160 1.127 1
1 677 . 9 1 1 A 65 65 ASN N N 65 118.292 117.747 0.545 1
1 678 . 9 1 1 A 65 65 ASN H H 65 9.260 9.311 -0.051 1
1 679 . 9 1 1 A 65 65 ASN CA C 65 54.643 54.507 0.136 1
1 680 . 9 1 1 A 65 65 ASN HA H 65 4.401 4.400 0.001 1
1 681 . 9 1 1 A 65 65 ASN CB C 65 37.695 36.877 0.818 1
1 686 . 9 1 1 A 65 65 ASN C C 65 174.079 174.679 -0.600 1
1 688 . 9 1 1 A 66 66 GLN N N 66 111.325 109.016 2.309 1
1 689 . 9 1 1 A 66 66 GLN H H 66 10.512 8.530 1.982 1
1 690 . 9 1 1 A 66 66 GLN CA C 66 57.009 57.311 -0.302 1
1 691 . 9 1 1 A 66 66 GLN HA H 66 3.713 3.889 -0.176 1
1 692 . 9 1 1 A 66 66 GLN CB C 66 24.986 26.704 -1.718 1
1 699 . 9 1 1 A 66 66 GLN C C 66 173.896 174.203 -0.307 1
1 702 . 9 1 1 A 67 67 GLN N N 67 115.692 117.415 -1.723 1
1 703 . 9 1 1 A 67 67 GLN H H 67 7.492 7.612 -0.120 1
1 704 . 9 1 1 A 67 67 GLN CA C 67 54.496 54.696 -0.200 1
1 705 . 9 1 1 A 67 67 GLN HA H 67 5.400 4.847 0.553 1
1 706 . 9 1 1 A 67 67 GLN CB C 67 29.896 31.131 -1.235 1
1 713 . 9 1 1 A 67 67 GLN C C 67 175.043 174.303 0.740 1
1 716 . 9 1 1 A 68 68 TYR N N 68 121.249 121.883 -0.634 1
1 717 . 9 1 1 A 68 68 TYR H H 68 9.573 8.874 0.699 1
1 718 . 9 1 1 A 68 68 TYR CA C 68 56.443 56.555 -0.112 1
1 719 . 9 1 1 A 68 68 TYR HA H 68 5.417 5.221 0.196 1
1 720 . 9 1 1 A 68 68 TYR CB C 68 41.249 40.310 0.939 1
1 730 . 9 1 1 A 68 68 TYR C C 68 174.846 174.607 0.239 1
1 732 . 9 1 1 A 69 69 ASN N N 69 122.429 123.857 -1.428 1
1 733 . 9 1 1 A 69 69 ASN H H 69 9.354 9.219 0.135 1
1 734 . 9 1 1 A 69 69 ASN CA C 69 52.454 52.951 -0.497 1
1 735 . 9 1 1 A 69 69 ASN HA H 69 5.260 4.919 0.341 1
1 736 . 9 1 1 A 69 69 ASN CB C 69 40.922 40.266 0.656 1
1 741 . 9 1 1 A 69 69 ASN C C 69 174.835 174.113 0.722 1
1 743 . 9 1 1 A 70 70 VAL N N 70 131.599 126.298 5.301 1
1 744 . 9 1 1 A 70 70 VAL H H 70 9.157 8.098 1.059 1
1 745 . 9 1 1 A 70 70 VAL CA C 70 60.900 60.935 -0.035 1
1 746 . 9 1 1 A 70 70 VAL HA H 70 4.910 4.820 0.090 1
1 747 . 9 1 1 A 70 70 VAL CB C 70 31.882 33.722 -1.840 1
1 757 . 9 1 1 A 70 70 VAL C C 70 174.368 174.293 0.075 1
1 758 . 9 1 1 A 71 71 THR N N 71 119.213 122.833 -3.620 1
1 759 . 9 1 1 A 71 71 THR H H 71 8.996 8.971 0.025 1
1 760 . 9 1 1 A 71 71 THR CA C 71 59.796 61.039 -1.243 1
1 761 . 9 1 1 A 71 71 THR HA H 71 5.614 5.158 0.456 1
1 762 . 9 1 1 A 71 71 THR CB C 71 72.339 71.334 1.005 1
1 768 . 9 1 1 A 71 71 THR C C 71 173.260 173.390 -0.130 1
1 769 . 9 1 1 A 72 72 TYR N N 72 121.105 120.773 0.332 1
1 770 . 9 1 1 A 72 72 TYR H H 72 9.200 8.493 0.707 1
1 771 . 9 1 1 A 72 72 TYR CA C 72 56.112 55.696 0.416 1
1 772 . 9 1 1 A 72 72 TYR HA H 72 5.600 5.572 0.028 1
1 773 . 9 1 1 A 72 72 TYR CB C 72 41.878 41.806 0.072 1
1 783 . 9 1 1 A 72 72 TYR C C 72 173.176 173.069 0.107 1
1 785 . 9 1 1 A 73 73 VAL N N 73 118.799 119.648 -0.849 1
1 786 . 9 1 1 A 73 73 VAL H H 73 8.214 8.716 -0.502 1
1 787 . 9 1 1 A 73 73 VAL CA C 73 61.111 61.109 0.002 1
1 788 . 9 1 1 A 73 73 VAL HA H 73 4.514 4.865 -0.351 1
1 789 . 9 1 1 A 73 73 VAL CB C 73 35.729 35.979 -0.250 1
1 799 . 9 1 1 A 73 73 VAL C C 73 175.529 174.842 0.687 1
1 800 . 9 1 1 A 74 74 VAL N N 74 121.061 122.317 -1.256 1
1 801 . 9 1 1 A 74 74 VAL H H 74 8.947 8.842 0.105 1
1 802 . 9 1 1 A 74 74 VAL CA C 74 59.858 60.265 -0.407 1
1 803 . 9 1 1 A 74 74 VAL HA H 74 4.785 4.933 -0.148 1
1 804 . 9 1 1 A 74 74 VAL CB C 74 32.795 34.117 -1.322 1
1 814 . 9 1 1 A 74 74 VAL C C 74 176.022 176.001 0.021 1
1 815 . 9 1 1 A 75 75 LYS N N 75 120.273 126.500 -6.227 1
1 816 . 9 1 1 A 75 75 LYS H H 75 9.404 9.007 0.397 1
1 817 . 9 1 1 A 75 75 LYS CA C 75 55.705 58.061 -2.356 1
1 818 . 9 1 1 A 75 75 LYS HA H 75 4.653 4.278 0.375 1
1 819 . 9 1 1 A 75 75 LYS CB C 75 34.767 33.160 1.607 1
1 827 . 9 1 1 A 75 75 LYS C C 75 175.025 175.521 -0.496 1
1 832 . 9 1 1 A 76 76 GLU N N 76 117.540 118.348 -0.808 1
1 833 . 9 1 1 A 76 76 GLU H H 76 7.224 7.816 -0.592 1
1 834 . 9 1 1 A 76 76 GLU CA C 76 54.893 54.581 0.312 1
1 835 . 9 1 1 A 76 76 GLU HA H 76 4.747 4.879 -0.132 1
1 836 . 9 1 1 A 76 76 GLU CB C 76 33.199 33.038 0.161 1
1 840 . 9 1 1 A 76 76 GLU C C 76 175.664 174.942 0.722 1
1 843 . 9 1 1 A 77 77 ARG N N 77 125.564 119.930 5.634 1
1 844 . 9 1 1 A 77 77 ARG H H 77 8.906 8.612 0.294 1
1 845 . 9 1 1 A 77 77 ARG CA C 77 56.610 54.115 2.495 1
1 846 . 9 1 1 A 77 77 ARG HA H 77 4.234 5.159 -0.925 1
1 847 . 9 1 1 A 77 77 ARG CB C 77 31.036 33.313 -2.277 1
1 855 . 9 1 1 A 77 77 ARG C C 77 174.779 175.104 -0.325 1
1 859 . 9 1 1 A 78 78 GLY N N 78 108.773 107.252 1.521 1
1 860 . 9 1 1 A 78 78 GLY H H 78 8.928 8.137 0.791 1
1 861 . 9 1 1 A 78 78 GLY CA C 78 44.418 43.827 0.591 1
1 862 . 9 1 1 A 78 78 GLY HA3 H 78 3.770 4.200 -0.430 1
1 863 . 9 1 1 A 78 78 GLY C C 78 171.452 172.854 -1.402 1
1 864 . 9 1 1 A 78 78 GLY HA2 H 78 4.467 4.156 0.311 1
1 865 . 9 1 1 A 79 79 ASP N N 79 120.109 120.767 -0.658 1
1 866 . 9 1 1 A 79 79 ASP H H 79 8.070 8.427 -0.357 1
1 867 . 9 1 1 A 79 79 ASP CA C 79 54.204 54.873 -0.669 1
1 868 . 9 1 1 A 79 79 ASP HA H 79 5.344 4.967 0.377 1
1 869 . 9 1 1 A 79 79 ASP CB C 79 42.148 41.188 0.960 1
1 871 . 9 1 1 A 79 79 ASP C C 79 175.474 175.690 -0.216 1
1 873 . 9 1 1 A 80 80 TYR N N 80 121.969 123.050 -1.081 1
1 874 . 9 1 1 A 80 80 TYR H H 80 9.412 9.524 -0.112 1
1 875 . 9 1 1 A 80 80 TYR CA C 80 56.872 56.337 0.535 1
1 876 . 9 1 1 A 80 80 TYR HA H 80 4.821 5.343 -0.522 1
1 877 . 9 1 1 A 80 80 TYR CB C 80 41.557 42.032 -0.475 1
1 887 . 9 1 1 A 80 80 TYR C C 80 175.552 175.071 0.481 1
1 889 . 9 1 1 A 81 81 VAL N N 81 121.669 120.578 1.091 1
1 890 . 9 1 1 A 81 81 VAL H H 81 8.688 8.898 -0.210 1
1 891 . 9 1 1 A 81 81 VAL CA C 81 61.217 61.434 -0.217 1
1 892 . 9 1 1 A 81 81 VAL HA H 81 4.606 4.799 -0.193 1
1 893 . 9 1 1 A 81 81 VAL CB C 81 33.990 34.058 -0.068 1
1 903 . 9 1 1 A 81 81 VAL C C 81 173.568 174.169 -0.601 1
1 904 . 9 1 1 A 82 82 LEU N N 82 129.806 130.520 -0.714 1
1 905 . 9 1 1 A 82 82 LEU H H 82 8.873 8.588 0.285 1
1 906 . 9 1 1 A 82 82 LEU CA C 82 53.321 53.963 -0.642 1
1 907 . 9 1 1 A 82 82 LEU HA H 82 5.150 4.935 0.215 1
1 908 . 9 1 1 A 82 82 LEU CB C 82 44.594 43.933 0.661 1
1 920 . 9 1 1 A 82 82 LEU C C 82 174.427 174.885 -0.458 1
1 922 . 9 1 1 A 83 83 ALA N N 83 128.482 129.747 -1.265 1
1 923 . 9 1 1 A 83 83 ALA H H 83 9.294 9.113 0.181 1
1 924 . 9 1 1 A 83 83 ALA CA C 83 50.133 50.413 -0.280 1
1 925 . 9 1 1 A 83 83 ALA HA H 83 5.081 5.209 -0.128 1
1 926 . 9 1 1 A 83 83 ALA CB C 83 21.500 20.494 1.006 1
1 930 . 9 1 1 A 83 83 ALA C C 83 174.991 175.817 -0.826 1
1 931 . 9 1 1 A 84 84 VAL N N 84 121.691 123.799 -2.108 1
1 932 . 9 1 1 A 84 84 VAL H H 84 9.222 9.047 0.175 1
1 933 . 9 1 1 A 84 84 VAL CA C 84 61.324 61.209 0.115 1
1 934 . 9 1 1 A 84 84 VAL HA H 84 4.785 4.843 -0.058 1
1 935 . 9 1 1 A 84 84 VAL CB C 84 34.116 34.256 -0.140 1
1 945 . 9 1 1 A 84 84 VAL C C 84 174.156 174.923 -0.767 1
1 946 . 9 1 1 A 85 85 LYS N N 85 124.020 125.969 -1.949 1
1 947 . 9 1 1 A 85 85 LYS H H 85 9.193 8.565 0.628 1
1 948 . 9 1 1 A 85 85 LYS CA C 85 54.222 54.223 -0.001 1
1 949 . 9 1 1 A 85 85 LYS HA H 85 4.958 5.220 -0.262 1
1 950 . 9 1 1 A 85 85 LYS CB C 85 34.814 35.720 -0.906 1
1 958 . 9 1 1 A 85 85 LYS C C 85 173.704 175.243 -1.539 1
1 963 . 9 1 1 A 86 86 TRP N N 86 123.429 124.495 -1.066 1
1 964 . 9 1 1 A 86 86 TRP H H 86 8.623 8.949 -0.326 1
1 965 . 9 1 1 A 86 86 TRP CA C 86 53.803 56.761 -2.958 1
1 966 . 9 1 1 A 86 86 TRP HA H 86 5.583 4.895 0.688 1
1 967 . 9 1 1 A 86 86 TRP CB C 86 32.084 31.245 0.839 1
1 981 . 9 1 1 A 86 86 TRP C C 86 176.916 175.789 1.127 1
1 983 . 9 1 1 A 87 87 GLY N N 87 116.722 114.954 1.768 1
1 984 . 9 1 1 A 87 87 GLY H H 87 8.782 8.509 0.273 1
1 985 . 9 1 1 A 87 87 GLY CA C 87 46.432 46.713 -0.281 1
1 986 . 9 1 1 A 87 87 GLY HA3 H 87 3.152 3.626 -0.474 1
1 987 . 9 1 1 A 87 87 GLY C C 87 173.838 174.101 -0.263 1
1 988 . 9 1 1 A 87 87 GLY HA2 H 87 3.732 3.432 0.300 1
1 989 . 9 1 1 A 88 88 GLU N N 88 122.405 110.577 11.828 1
1 990 . 9 1 1 A 88 88 GLU H H 88 8.592 8.439 0.153 1
1 991 . 9 1 1 A 88 88 GLU CA C 88 56.004 57.609 -1.605 1
1 992 . 9 1 1 A 88 88 GLU HA H 88 4.057 3.832 0.225 1
1 993 . 9 1 1 A 88 88 GLU CB C 88 29.764 27.255 2.509 1
1 997 . 9 1 1 A 88 88 GLU C C 88 176.465 174.872 1.593 1
1 1000 . 9 1 1 A 89 89 GLU N N 89 117.358 117.170 0.188 1
1 1001 . 9 1 1 A 89 89 GLU H H 89 7.226 7.591 -0.365 1
1 1002 . 9 1 1 A 89 89 GLU CA C 89 54.921 54.843 0.078 1
1 1003 . 9 1 1 A 89 89 GLU HA H 89 4.580 5.155 -0.575 1
1 1004 . 9 1 1 A 89 89 GLU CB C 89 33.160 34.511 -1.351 1
1 1008 . 9 1 1 A 89 89 GLU C C 89 175.674 174.903 0.771 1
1 1011 . 9 1 1 A 90 90 HIS N N 90 122.210 116.456 5.754 1
1 1012 . 9 1 1 A 90 90 HIS H H 90 8.603 8.828 -0.225 1
1 1013 . 9 1 1 A 90 90 HIS CA C 90 58.321 54.495 3.826 1
1 1014 . 9 1 1 A 90 90 HIS HA H 90 4.343 5.194 -0.851 1
1 1015 . 9 1 1 A 90 90 HIS CB C 90 32.786 31.957 0.829 1
1 1021 . 9 1 1 A 90 90 HIS C C 90 177.001 175.294 1.707 1
1 1023 . 9 1 1 A 91 91 ILE N N 91 117.760 122.409 -4.649 1
1 1024 . 9 1 1 A 91 91 ILE H H 91 8.289 8.081 0.208 1
1 1025 . 9 1 1 A 91 91 ILE CA C 91 61.019 60.261 0.758 1
1 1026 . 9 1 1 A 91 91 ILE HA H 91 4.482 4.218 0.264 1
1 1027 . 9 1 1 A 91 91 ILE CB C 91 35.655 37.913 -2.258 1
1 1039 . 9 1 1 A 91 91 ILE C C 91 173.231 175.478 -2.247 1
1 1041 . 9 1 1 A 92 92 PRO CA C 92 65.378 63.328 2.050 1
1 1042 . 9 1 1 A 92 92 PRO HA H 92 4.207 4.419 -0.212 1
1 1043 . 9 1 1 A 92 92 PRO CB C 92 31.301 30.945 0.356 1
1 1049 . 9 1 1 A 92 92 PRO C C 92 177.559 177.352 0.207 1
1 1053 . 9 1 1 A 93 93 GLY N N 93 115.174 113.053 2.121 1
1 1054 . 9 1 1 A 93 93 GLY H H 93 8.291 8.237 0.054 1
1 1055 . 9 1 1 A 93 93 GLY CA C 93 44.729 44.878 -0.149 1
1 1056 . 9 1 1 A 93 93 GLY HA3 H 93 3.122 3.739 -0.617 1
1 1057 . 9 1 1 A 93 93 GLY C C 93 171.695 173.574 -1.879 1
1 1058 . 9 1 1 A 93 93 GLY HA2 H 93 4.116 3.675 0.441 1
1 1059 . 9 1 1 A 94 94 SER N N 94 112.948 116.960 -4.012 1
1 1060 . 9 1 1 A 94 94 SER H H 94 7.612 7.432 0.180 1
1 1061 . 9 1 1 A 94 94 SER CA C 94 54.585 55.185 -0.600 1
1 1062 . 9 1 1 A 94 94 SER HA H 94 4.002 4.515 -0.513 1
1 1063 . 9 1 1 A 94 94 SER CB C 94 62.348 64.675 -2.327 1
1 1065 . 9 1 1 A 94 94 SER C C 94 174.321 172.764 1.557 1
1 1067 . 9 1 1 A 95 95 PRO CA C 95 62.338 62.771 -0.433 1
1 1068 . 9 1 1 A 95 95 PRO HA H 95 5.296 4.905 0.391 1
1 1069 . 9 1 1 A 95 95 PRO CB C 95 33.730 32.758 0.972 1
1 1075 . 9 1 1 A 95 95 PRO C C 95 175.728 176.963 -1.235 1
1 1079 . 9 1 1 A 96 96 PHE N N 96 124.415 120.929 3.486 1
1 1080 . 9 1 1 A 96 96 PHE H H 96 9.643 8.535 1.108 1
1 1081 . 9 1 1 A 96 96 PHE CA C 96 57.405 57.706 -0.301 1
1 1082 . 9 1 1 A 96 96 PHE HA H 96 4.474 4.875 -0.401 1
1 1083 . 9 1 1 A 96 96 PHE CB C 96 40.160 40.273 -0.113 1
1 1095 . 9 1 1 A 96 96 PHE C C 96 175.736 175.359 0.377 1
1 1097 . 9 1 1 A 97 97 HIS N N 97 121.364 121.307 0.057 1
1 1098 . 9 1 1 A 97 97 HIS H H 97 8.898 8.969 -0.071 1
1 1099 . 9 1 1 A 97 97 HIS CA C 97 55.214 54.377 0.837 1
1 1100 . 9 1 1 A 97 97 HIS HA H 97 5.124 5.314 -0.190 1
1 1101 . 9 1 1 A 97 97 HIS CB C 97 29.981 31.642 -1.661 1
1 1107 . 9 1 1 A 97 97 HIS C C 97 173.895 173.489 0.406 1
1 1109 . 9 1 1 A 98 98 VAL N N 98 127.912 129.206 -1.294 1
1 1110 . 9 1 1 A 98 98 VAL H H 98 8.582 8.972 -0.390 1
1 1111 . 9 1 1 A 98 98 VAL CA C 98 61.467 61.449 0.018 1
1 1112 . 9 1 1 A 98 98 VAL HA H 98 4.096 4.665 -0.569 1
1 1113 . 9 1 1 A 98 98 VAL CB C 98 35.455 33.203 2.252 1
1 1123 . 9 1 1 A 98 98 VAL C C 98 174.874 175.029 -0.155 1
1 1124 . 9 1 1 A 99 99 THR N N 99 123.090 124.028 -0.938 1
1 1125 . 9 1 1 A 99 99 THR H H 99 8.117 8.327 -0.210 1
1 1126 . 9 1 1 A 99 99 THR CA C 99 62.031 61.818 0.213 1
1 1127 . 9 1 1 A 99 99 THR HA H 99 4.852 4.941 -0.089 1
1 1128 . 9 1 1 A 99 99 THR CB C 99 70.661 70.360 0.301 1
1 1134 . 9 1 1 A 99 99 THR C C 99 173.264 173.892 -0.628 1
1 1135 . 9 1 1 A 100 100 VAL N N 100 129.827 126.520 3.307 1
1 1136 . 9 1 1 A 100 100 VAL H H 100 8.812 8.756 0.056 1
1 1137 . 9 1 1 A 100 100 VAL CA C 100 58.577 58.746 -0.169 1
1 1138 . 9 1 1 A 100 100 VAL HA H 100 5.053 4.787 0.266 1
1 1139 . 9 1 1 A 100 100 VAL CB C 100 33.365 33.661 -0.296 1
1 1149 . 9 1 1 A 100 100 VAL C C 100 174.927 174.373 0.554 1
1 1 . 10 1 1 A 6 6 SER CA C 6 58.666 57.346 1.320 1
1 2 . 10 1 1 A 6 6 SER HA H 6 4.514 4.909 -0.395 1
1 3 . 10 1 1 A 6 6 SER CB C 6 63.933 66.534 -2.601 1
1 5 . 10 1 1 A 6 6 SER C C 6 175.074 172.296 2.778 1
1 7 . 10 1 1 A 7 7 GLY N N 7 110.792 108.309 2.483 1
1 8 . 10 1 1 A 7 7 GLY H H 7 8.450 8.765 -0.315 1
1 9 . 10 1 1 A 7 7 GLY CA C 7 45.406 43.616 1.790 1
1 10 . 10 1 1 A 7 7 GLY HA3 H 7 4.052 4.268 -0.216 1
1 11 . 10 1 1 A 7 7 GLY C C 7 174.270 173.806 0.464 1
1 12 . 10 1 1 A 7 7 GLY HA2 H 7 4.052 4.261 -0.209 1
1 13 . 10 1 1 A 8 8 SER N N 8 115.558 115.369 0.189 1
1 14 . 10 1 1 A 8 8 SER H H 8 8.274 8.608 -0.334 1
1 15 . 10 1 1 A 8 8 SER CA C 8 58.332 58.309 0.023 1
1 16 . 10 1 1 A 8 8 SER HA H 8 4.557 4.385 0.172 1
1 17 . 10 1 1 A 8 8 SER CB C 8 63.930 64.337 -0.407 1
1 19 . 10 1 1 A 8 8 SER C C 8 174.064 174.326 -0.262 1
1 21 . 10 1 1 A 9 9 SER N N 9 116.801 116.761 0.040 1
1 22 . 10 1 1 A 9 9 SER H H 9 8.227 8.602 -0.375 1
1 23 . 10 1 1 A 9 9 SER CA C 9 58.075 58.531 -0.456 1
1 24 . 10 1 1 A 9 9 SER HA H 9 5.001 4.659 0.342 1
1 25 . 10 1 1 A 9 9 SER CB C 9 64.491 63.009 1.482 1
1 27 . 10 1 1 A 9 9 SER C C 9 174.318 174.291 0.027 1
1 29 . 10 1 1 A 10 10 ASP N N 10 122.324 125.192 -2.868 1
1 30 . 10 1 1 A 10 10 ASP H H 10 8.262 9.213 -0.951 1
1 31 . 10 1 1 A 10 10 ASP CA C 10 53.833 53.185 0.648 1
1 32 . 10 1 1 A 10 10 ASP HA H 10 4.892 5.135 -0.243 1
1 33 . 10 1 1 A 10 10 ASP CB C 10 41.497 43.099 -1.602 1
1 35 . 10 1 1 A 10 10 ASP C C 10 176.306 175.846 0.460 1
1 37 . 10 1 1 A 11 11 ALA N N 11 126.255 125.179 1.076 1
1 38 . 10 1 1 A 11 11 ALA H H 11 9.091 8.781 0.310 1
1 39 . 10 1 1 A 11 11 ALA CA C 11 54.713 54.334 0.379 1
1 40 . 10 1 1 A 11 11 ALA HA H 11 4.056 4.300 -0.244 1
1 41 . 10 1 1 A 11 11 ALA CB C 11 20.177 19.314 0.863 1
1 45 . 10 1 1 A 11 11 ALA C C 11 177.950 178.931 -0.981 1
1 46 . 10 1 1 A 12 12 SER N N 12 110.658 113.904 -3.246 1
1 47 . 10 1 1 A 12 12 SER H H 12 8.224 8.031 0.193 1
1 48 . 10 1 1 A 12 12 SER CA C 12 60.857 61.048 -0.191 1
1 49 . 10 1 1 A 12 12 SER HA H 12 4.240 4.143 0.097 1
1 50 . 10 1 1 A 12 12 SER CB C 12 62.964 63.173 -0.209 1
1 52 . 10 1 1 A 12 12 SER C C 12 175.312 176.974 -1.662 1
1 54 . 10 1 1 A 13 13 LYS N N 13 119.063 118.427 0.636 1
1 55 . 10 1 1 A 13 13 LYS H H 13 7.349 7.854 -0.505 1
1 56 . 10 1 1 A 13 13 LYS CA C 13 54.948 57.513 -2.565 1
1 57 . 10 1 1 A 13 13 LYS HA H 13 4.293 4.360 -0.067 1
1 58 . 10 1 1 A 13 13 LYS CB C 13 33.037 33.028 0.009 1
1 66 . 10 1 1 A 13 13 LYS C C 13 177.263 177.426 -0.163 1
1 71 . 10 1 1 A 14 14 VAL N N 14 124.317 120.867 3.450 1
1 72 . 10 1 1 A 14 14 VAL H H 14 7.500 7.384 0.116 1
1 73 . 10 1 1 A 14 14 VAL CA C 14 63.797 62.826 0.971 1
1 74 . 10 1 1 A 14 14 VAL HA H 14 3.870 3.873 -0.003 1
1 75 . 10 1 1 A 14 14 VAL CB C 14 31.996 31.350 0.646 1
1 85 . 10 1 1 A 14 14 VAL C C 14 175.873 175.274 0.599 1
1 86 . 10 1 1 A 15 15 THR N N 15 117.704 119.337 -1.633 1
1 87 . 10 1 1 A 15 15 THR H H 15 8.197 8.778 -0.581 1
1 88 . 10 1 1 A 15 15 THR CA C 15 59.805 59.597 0.208 1
1 89 . 10 1 1 A 15 15 THR HA H 15 4.911 5.334 -0.423 1
1 90 . 10 1 1 A 15 15 THR CB C 15 71.373 71.514 -0.141 1
1 96 . 10 1 1 A 15 15 THR C C 15 172.695 174.131 -1.436 1
1 97 . 10 1 1 A 16 16 SER N N 16 113.256 117.527 -4.271 1
1 98 . 10 1 1 A 16 16 SER H H 16 8.442 9.080 -0.638 1
1 99 . 10 1 1 A 16 16 SER CA C 16 57.155 56.370 0.785 1
1 100 . 10 1 1 A 16 16 SER HA H 16 5.564 5.547 0.017 1
1 101 . 10 1 1 A 16 16 SER CB C 16 66.124 65.638 0.486 1
1 103 . 10 1 1 A 16 16 SER C C 16 173.455 173.622 -0.167 1
1 105 . 10 1 1 A 17 17 LYS N N 17 117.543 120.428 -2.885 1
1 106 . 10 1 1 A 17 17 LYS H H 17 8.870 8.904 -0.034 1
1 107 . 10 1 1 A 17 17 LYS CA C 17 56.063 54.237 1.826 1
1 108 . 10 1 1 A 17 17 LYS HA H 17 4.673 5.020 -0.347 1
1 109 . 10 1 1 A 17 17 LYS CB C 17 35.602 35.973 -0.371 1
1 117 . 10 1 1 A 17 17 LYS C C 17 174.625 175.211 -0.586 1
1 122 . 10 1 1 A 18 18 GLY N N 18 110.702 107.680 3.022 1
1 123 . 10 1 1 A 18 18 GLY H H 18 8.746 8.369 0.377 1
1 124 . 10 1 1 A 18 18 GLY CA C 18 44.501 44.017 0.484 1
1 125 . 10 1 1 A 18 18 GLY HA3 H 18 3.998 4.141 -0.143 1
1 126 . 10 1 1 A 18 18 GLY C C 18 175.460 174.133 1.327 1
1 127 . 10 1 1 A 18 18 GLY HA2 H 18 4.947 4.105 0.842 1
1 128 . 10 1 1 A 19 19 ALA CA C 19 55.387 53.194 2.193 1
1 129 . 10 1 1 A 19 19 ALA HA H 19 4.229 4.299 -0.070 1
1 130 . 10 1 1 A 19 19 ALA CB C 19 18.689 19.825 -1.136 1
1 134 . 10 1 1 A 19 19 ALA C C 19 179.606 179.204 0.402 1
1 135 . 10 1 1 A 20 20 GLY N N 20 101.587 106.678 -5.091 1
1 136 . 10 1 1 A 20 20 GLY H H 20 8.466 7.868 0.598 1
1 137 . 10 1 1 A 20 20 GLY CA C 20 46.078 46.949 -0.871 1
1 138 . 10 1 1 A 20 20 GLY HA3 H 20 3.596 3.958 -0.362 1
1 139 . 10 1 1 A 20 20 GLY C C 20 173.214 176.036 -2.822 1
1 140 . 10 1 1 A 20 20 GLY HA2 H 20 4.689 3.881 0.808 1
1 141 . 10 1 1 A 21 21 LEU N N 21 115.987 122.406 -6.419 1
1 142 . 10 1 1 A 21 21 LEU H H 21 6.928 7.722 -0.794 1
1 143 . 10 1 1 A 21 21 LEU CA C 21 55.567 57.279 -1.712 1
1 144 . 10 1 1 A 21 21 LEU HA H 21 3.404 3.781 -0.377 1
1 145 . 10 1 1 A 21 21 LEU CB C 21 41.702 41.239 0.463 1
1 157 . 10 1 1 A 21 21 LEU C C 21 175.989 179.145 -3.156 1
1 159 . 10 1 1 A 22 22 SER N N 22 106.483 113.013 -6.530 1
1 160 . 10 1 1 A 22 22 SER H H 22 7.808 8.026 -0.218 1
1 161 . 10 1 1 A 22 22 SER CA C 22 58.956 60.587 -1.631 1
1 162 . 10 1 1 A 22 22 SER HA H 22 4.901 4.402 0.499 1
1 163 . 10 1 1 A 22 22 SER CB C 22 66.238 64.107 2.131 1
1 165 . 10 1 1 A 22 22 SER C C 22 174.051 173.996 0.055 1
1 167 . 10 1 1 A 23 23 LYS N N 23 124.757 115.372 9.385 1
1 168 . 10 1 1 A 23 23 LYS H H 23 8.399 7.877 0.522 1
1 169 . 10 1 1 A 23 23 LYS CA C 23 55.676 54.922 0.754 1
1 170 . 10 1 1 A 23 23 LYS HA H 23 4.973 4.579 0.394 1
1 171 . 10 1 1 A 23 23 LYS CB C 23 36.338 34.660 1.678 1
1 179 . 10 1 1 A 23 23 LYS C C 23 173.136 174.035 -0.899 1
1 184 . 10 1 1 A 24 24 ALA N N 24 123.565 120.547 3.018 1
1 185 . 10 1 1 A 24 24 ALA H H 24 7.541 7.828 -0.287 1
1 186 . 10 1 1 A 24 24 ALA CA C 24 51.148 51.376 -0.228 1
1 187 . 10 1 1 A 24 24 ALA HA H 24 4.256 4.421 -0.165 1
1 188 . 10 1 1 A 24 24 ALA CB C 24 22.019 22.772 -0.753 1
1 192 . 10 1 1 A 24 24 ALA C C 24 173.515 175.735 -2.220 1
1 193 . 10 1 1 A 25 25 PHE N N 25 114.269 119.831 -5.562 1
1 194 . 10 1 1 A 25 25 PHE H H 25 7.858 8.678 -0.820 1
1 195 . 10 1 1 A 25 25 PHE CA C 25 55.809 56.770 -0.961 1
1 196 . 10 1 1 A 25 25 PHE HA H 25 5.191 5.027 0.164 1
1 197 . 10 1 1 A 25 25 PHE CB C 25 41.943 40.734 1.209 1
1 209 . 10 1 1 A 25 25 PHE C C 25 177.046 175.788 1.258 1
1 211 . 10 1 1 A 26 26 VAL N N 26 123.270 123.425 -0.155 1
1 212 . 10 1 1 A 26 26 VAL H H 26 9.338 8.729 0.609 1
1 213 . 10 1 1 A 26 26 VAL CA C 26 65.054 65.147 -0.093 1
1 214 . 10 1 1 A 26 26 VAL HA H 26 3.441 3.751 -0.310 1
1 215 . 10 1 1 A 26 26 VAL CB C 26 31.757 31.570 0.187 1
1 225 . 10 1 1 A 26 26 VAL C C 26 178.201 177.291 0.910 1
1 226 . 10 1 1 A 27 27 GLY N N 27 112.668 114.927 -2.259 1
1 227 . 10 1 1 A 27 27 GLY H H 27 8.862 8.790 0.072 1
1 228 . 10 1 1 A 27 27 GLY CA C 27 45.857 45.447 0.410 1
1 229 . 10 1 1 A 27 27 GLY HA3 H 27 4.229 4.007 0.222 1
1 230 . 10 1 1 A 27 27 GLY C C 27 173.411 174.231 -0.820 1
1 231 . 10 1 1 A 27 27 GLY HA2 H 27 3.631 4.005 -0.374 1
1 232 . 10 1 1 A 28 28 GLN N N 28 118.568 120.755 -2.187 1
1 233 . 10 1 1 A 28 28 GLN H H 28 7.755 7.998 -0.243 1
1 234 . 10 1 1 A 28 28 GLN CA C 28 53.825 56.728 -2.903 1
1 235 . 10 1 1 A 28 28 GLN HA H 28 4.690 4.335 0.355 1
1 236 . 10 1 1 A 28 28 GLN CB C 28 30.975 29.871 1.104 1
1 243 . 10 1 1 A 28 28 GLN C C 28 175.517 175.299 0.218 1
1 246 . 10 1 1 A 29 29 LYS N N 29 123.598 124.568 -0.970 1
1 247 . 10 1 1 A 29 29 LYS H H 29 8.839 8.643 0.196 1
1 248 . 10 1 1 A 29 29 LYS CA C 29 57.587 55.884 1.703 1
1 249 . 10 1 1 A 29 29 LYS HA H 29 4.158 4.610 -0.452 1
1 250 . 10 1 1 A 29 29 LYS CB C 29 32.381 33.161 -0.780 1
1 258 . 10 1 1 A 29 29 LYS C C 29 176.190 175.164 1.026 1
1 263 . 10 1 1 A 30 30 SER N N 30 124.030 125.057 -1.027 1
1 264 . 10 1 1 A 30 30 SER H H 30 8.694 8.318 0.376 1
1 265 . 10 1 1 A 30 30 SER CA C 30 57.560 58.274 -0.714 1
1 266 . 10 1 1 A 30 30 SER HA H 30 4.758 4.909 -0.151 1
1 267 . 10 1 1 A 30 30 SER CB C 30 64.143 64.206 -0.063 1
1 269 . 10 1 1 A 30 30 SER C C 30 173.413 173.595 -0.182 1
1 271 . 10 1 1 A 31 31 SER N N 31 116.828 117.460 -0.632 1
1 272 . 10 1 1 A 31 31 SER H H 31 8.894 8.703 0.191 1
1 273 . 10 1 1 A 31 31 SER CA C 31 57.132 55.561 1.571 1
1 274 . 10 1 1 A 31 31 SER HA H 31 6.181 5.380 0.801 1
1 275 . 10 1 1 A 31 31 SER CB C 31 67.745 66.502 1.243 1
1 277 . 10 1 1 A 31 31 SER C C 31 174.171 173.455 0.716 1
1 279 . 10 1 1 A 32 32 PHE N N 32 117.724 116.769 0.955 1
1 280 . 10 1 1 A 32 32 PHE H H 32 8.853 8.617 0.236 1
1 281 . 10 1 1 A 32 32 PHE CA C 32 57.190 56.370 0.820 1
1 282 . 10 1 1 A 32 32 PHE HA H 32 5.016 5.117 -0.101 1
1 283 . 10 1 1 A 32 32 PHE CB C 32 40.712 41.374 -0.662 1
1 295 . 10 1 1 A 32 32 PHE C C 32 170.765 172.161 -1.396 1
1 297 . 10 1 1 A 33 33 LEU N N 33 121.533 124.223 -2.690 1
1 298 . 10 1 1 A 33 33 LEU H H 33 9.223 8.634 0.589 1
1 299 . 10 1 1 A 33 33 LEU CA C 33 53.636 53.600 0.036 1
1 300 . 10 1 1 A 33 33 LEU HA H 33 5.531 5.231 0.300 1
1 301 . 10 1 1 A 33 33 LEU CB C 33 46.278 44.899 1.379 1
1 313 . 10 1 1 A 33 33 LEU C C 33 176.559 174.449 2.110 1
1 315 . 10 1 1 A 34 34 VAL N N 34 123.140 126.300 -3.160 1
1 316 . 10 1 1 A 34 34 VAL H H 34 9.257 8.723 0.534 1
1 317 . 10 1 1 A 34 34 VAL CA C 34 61.182 61.266 -0.084 1
1 318 . 10 1 1 A 34 34 VAL HA H 34 4.785 4.897 -0.112 1
1 319 . 10 1 1 A 34 34 VAL CB C 34 34.589 34.290 0.299 1
1 329 . 10 1 1 A 34 34 VAL C C 34 174.370 174.379 -0.009 1
1 330 . 10 1 1 A 35 35 ASP N N 35 126.353 127.812 -1.459 1
1 331 . 10 1 1 A 35 35 ASP H H 35 9.312 9.179 0.133 1
1 332 . 10 1 1 A 35 35 ASP CA C 35 53.298 54.243 -0.945 1
1 333 . 10 1 1 A 35 35 ASP HA H 35 5.229 4.905 0.324 1
1 334 . 10 1 1 A 35 35 ASP CB C 35 41.538 41.568 -0.030 1
1 336 . 10 1 1 A 35 35 ASP C C 35 176.980 176.090 0.890 1
1 338 . 10 1 1 A 36 36 CYS N N 36 125.342 125.722 -0.380 1
1 339 . 10 1 1 A 36 36 CYS H H 36 9.275 8.553 0.722 1
1 340 . 10 1 1 A 36 36 CYS CA C 36 57.367 57.897 -0.530 1
1 341 . 10 1 1 A 36 36 CYS HA H 36 4.374 4.836 -0.462 1
1 342 . 10 1 1 A 36 36 CYS CB C 36 28.369 28.609 -0.240 1
1 344 . 10 1 1 A 36 36 CYS C C 36 177.015 174.962 2.053 1
1 346 . 10 1 1 A 37 37 SER N N 37 119.973 117.558 2.415 1
1 347 . 10 1 1 A 37 37 SER H H 37 9.039 7.593 1.446 1
1 348 . 10 1 1 A 37 37 SER CA C 37 62.787 61.776 1.011 1
1 349 . 10 1 1 A 37 37 SER HA H 37 3.932 4.091 -0.159 1
1 350 . 10 1 1 A 37 37 SER CB C 37 62.982 62.901 0.081 1
1 352 . 10 1 1 A 37 37 SER C C 37 176.290 175.783 0.507 1
1 354 . 10 1 1 A 38 38 LYS N N 38 120.815 117.686 3.129 1
1 355 . 10 1 1 A 38 38 LYS H H 38 8.676 8.227 0.449 1
1 356 . 10 1 1 A 38 38 LYS CA C 38 55.123 55.687 -0.564 1
1 357 . 10 1 1 A 38 38 LYS HA H 38 4.730 4.585 0.145 1
1 358 . 10 1 1 A 38 38 LYS CB C 38 32.250 32.250 0.000 1
1 366 . 10 1 1 A 38 38 LYS C C 38 176.385 176.751 -0.366 1
1 371 . 10 1 1 A 39 39 ALA N N 39 121.594 121.582 0.012 1
1 372 . 10 1 1 A 39 39 ALA H H 39 7.322 7.873 -0.551 1
1 373 . 10 1 1 A 39 39 ALA CA C 39 52.127 53.757 -1.630 1
1 374 . 10 1 1 A 39 39 ALA HA H 39 4.436 4.279 0.157 1
1 375 . 10 1 1 A 39 39 ALA CB C 39 21.347 19.725 1.622 1
1 379 . 10 1 1 A 39 39 ALA C C 39 177.453 177.617 -0.164 1
1 380 . 10 1 1 A 40 40 GLY N N 40 111.873 102.331 9.542 1
1 381 . 10 1 1 A 40 40 GLY H H 40 8.755 6.949 1.806 1
1 382 . 10 1 1 A 40 40 GLY CA C 40 45.619 45.656 -0.037 1
1 383 . 10 1 1 A 40 40 GLY HA3 H 40 4.329 4.331 -0.002 1
1 384 . 10 1 1 A 40 40 GLY C C 40 173.801 173.327 0.474 1
1 385 . 10 1 1 A 40 40 GLY HA2 H 40 3.754 4.192 -0.438 1
1 386 . 10 1 1 A 41 41 SER N N 41 117.149 116.596 0.553 1
1 387 . 10 1 1 A 41 41 SER H H 41 8.524 8.618 -0.094 1
1 388 . 10 1 1 A 41 41 SER CA C 41 56.849 58.120 -1.271 1
1 389 . 10 1 1 A 41 41 SER HA H 41 5.010 4.823 0.187 1
1 390 . 10 1 1 A 41 41 SER CB C 41 63.917 63.464 0.453 1
1 392 . 10 1 1 A 41 41 SER C C 41 172.603 173.513 -0.910 1
1 394 . 10 1 1 A 42 42 ASN N N 42 125.590 120.529 5.061 1
1 395 . 10 1 1 A 42 42 ASN H H 42 7.155 7.901 -0.746 1
1 396 . 10 1 1 A 42 42 ASN CA C 42 50.805 51.541 -0.736 1
1 397 . 10 1 1 A 42 42 ASN HA H 42 3.256 4.494 -1.238 1
1 398 . 10 1 1 A 42 42 ASN CB C 42 39.354 39.574 -0.220 1
1 403 . 10 1 1 A 42 42 ASN C C 42 170.908 174.538 -3.630 1
1 405 . 10 1 1 A 43 43 MET N N 43 115.129 120.047 -4.918 1
1 406 . 10 1 1 A 43 43 MET H H 43 8.366 7.995 0.371 1
1 407 . 10 1 1 A 43 43 MET CA C 43 53.424 53.269 0.155 1
1 408 . 10 1 1 A 43 43 MET HA H 43 4.102 5.218 -1.116 1
1 409 . 10 1 1 A 43 43 MET CB C 43 35.572 34.404 1.168 1
1 417 . 10 1 1 A 43 43 MET C C 43 173.140 174.226 -1.086 1
1 420 . 10 1 1 A 44 44 LEU N N 44 128.038 125.165 2.873 1
1 421 . 10 1 1 A 44 44 LEU H H 44 8.300 8.638 -0.338 1
1 422 . 10 1 1 A 44 44 LEU CA C 44 53.806 53.631 0.175 1
1 423 . 10 1 1 A 44 44 LEU HA H 44 5.331 5.133 0.198 1
1 424 . 10 1 1 A 44 44 LEU CB C 44 43.598 43.756 -0.158 1
1 436 . 10 1 1 A 44 44 LEU C C 44 175.236 175.875 -0.639 1
1 438 . 10 1 1 A 45 45 LEU N N 45 126.999 121.988 5.011 1
1 439 . 10 1 1 A 45 45 LEU H H 45 9.109 8.533 0.576 1
1 440 . 10 1 1 A 45 45 LEU CA C 45 54.800 52.492 2.308 1
1 441 . 10 1 1 A 45 45 LEU HA H 45 5.135 5.383 -0.248 1
1 442 . 10 1 1 A 45 45 LEU CB C 45 45.499 46.091 -0.592 1
1 454 . 10 1 1 A 45 45 LEU C C 45 175.167 175.493 -0.326 1
1 456 . 10 1 1 A 46 46 ILE N N 46 118.172 119.853 -1.681 1
1 457 . 10 1 1 A 46 46 ILE H H 46 7.966 8.835 -0.869 1
1 458 . 10 1 1 A 46 46 ILE CA C 46 58.091 59.417 -1.326 1
1 459 . 10 1 1 A 46 46 ILE HA H 46 5.412 5.080 0.332 1
1 460 . 10 1 1 A 46 46 ILE CB C 46 41.988 42.154 -0.166 1
1 472 . 10 1 1 A 46 46 ILE C C 46 174.748 175.570 -0.822 1
1 474 . 10 1 1 A 47 47 GLY N N 47 110.148 115.389 -5.241 1
1 475 . 10 1 1 A 47 47 GLY H H 47 8.554 8.561 -0.007 1
1 476 . 10 1 1 A 47 47 GLY CA C 47 46.136 46.108 0.028 1
1 477 . 10 1 1 A 47 47 GLY HA3 H 47 4.604 4.281 0.323 1
1 478 . 10 1 1 A 47 47 GLY C C 47 171.583 173.359 -1.776 1
1 479 . 10 1 1 A 47 47 GLY HA2 H 47 3.933 4.276 -0.343 1
1 480 . 10 1 1 A 48 48 VAL N N 48 120.434 117.997 2.437 1
1 481 . 10 1 1 A 48 48 VAL H H 48 9.048 7.595 1.453 1
1 482 . 10 1 1 A 48 48 VAL CA C 48 61.060 62.273 -1.213 1
1 483 . 10 1 1 A 48 48 VAL HA H 48 5.143 4.074 1.069 1
1 484 . 10 1 1 A 48 48 VAL CB C 48 34.976 31.935 3.041 1
1 494 . 10 1 1 A 48 48 VAL C C 48 175.260 175.829 -0.569 1
1 495 . 10 1 1 A 49 49 HIS N N 49 127.718 121.970 5.748 1
1 496 . 10 1 1 A 49 49 HIS H H 49 9.556 8.856 0.700 1
1 497 . 10 1 1 A 49 49 HIS CA C 49 55.342 55.604 -0.262 1
1 498 . 10 1 1 A 49 49 HIS HA H 49 4.987 4.684 0.303 1
1 499 . 10 1 1 A 49 49 HIS CB C 49 34.476 30.688 3.788 1
1 505 . 10 1 1 A 49 49 HIS C C 49 173.822 175.253 -1.431 1
1 507 . 10 1 1 A 50 50 GLY N N 50 115.577 106.574 9.003 1
1 508 . 10 1 1 A 50 50 GLY H H 50 8.192 8.508 -0.316 1
1 509 . 10 1 1 A 50 50 GLY CA C 50 44.693 45.718 -1.025 1
1 510 . 10 1 1 A 50 50 GLY HA3 H 50 3.247 4.209 -0.962 1
1 511 . 10 1 1 A 50 50 GLY C C 50 171.437 173.537 -2.100 1
1 512 . 10 1 1 A 50 50 GLY HA2 H 50 3.722 4.143 -0.421 1
1 513 . 10 1 1 A 51 51 PRO CA C 51 64.376 65.159 -0.783 1
1 514 . 10 1 1 A 51 51 PRO HA H 51 4.104 4.326 -0.222 1
1 515 . 10 1 1 A 51 51 PRO CB C 51 32.141 32.075 0.066 1
1 521 . 10 1 1 A 51 51 PRO C C 51 177.607 177.987 -0.380 1
1 525 . 10 1 1 A 52 52 THR N N 52 109.088 108.807 0.281 1
1 526 . 10 1 1 A 52 52 THR H H 52 8.447 7.802 0.645 1
1 527 . 10 1 1 A 52 52 THR CA C 52 62.861 62.218 0.643 1
1 528 . 10 1 1 A 52 52 THR HA H 52 4.424 4.580 -0.156 1
1 529 . 10 1 1 A 52 52 THR CB C 52 70.329 69.939 0.390 1
1 535 . 10 1 1 A 52 52 THR C C 52 174.926 174.525 0.401 1
1 536 . 10 1 1 A 53 53 THR N N 53 118.915 114.174 4.741 1
1 537 . 10 1 1 A 53 53 THR H H 53 7.983 8.090 -0.107 1
1 538 . 10 1 1 A 53 53 THR CA C 53 59.878 58.953 0.925 1
1 539 . 10 1 1 A 53 53 THR HA H 53 4.751 4.791 -0.040 1
1 540 . 10 1 1 A 53 53 THR CB C 53 71.034 70.040 0.994 1
1 546 . 10 1 1 A 53 53 THR C C 53 172.019 172.519 -0.500 1
1 547 . 10 1 1 A 54 54 PRO CA C 54 62.614 62.169 0.445 1
1 548 . 10 1 1 A 54 54 PRO HA H 54 4.629 4.402 0.227 1
1 549 . 10 1 1 A 54 54 PRO CB C 54 32.845 32.913 -0.068 1
1 555 . 10 1 1 A 54 54 PRO C C 54 177.751 176.501 1.250 1
1 559 . 10 1 1 A 55 55 CYS N N 55 121.538 119.217 2.321 1
1 560 . 10 1 1 A 55 55 CYS H H 55 8.938 8.186 0.752 1
1 561 . 10 1 1 A 55 55 CYS CA C 55 60.342 58.103 2.239 1
1 562 . 10 1 1 A 55 55 CYS HA H 55 4.563 4.689 -0.126 1
1 563 . 10 1 1 A 55 55 CYS CB C 55 27.534 29.515 -1.981 1
1 565 . 10 1 1 A 55 55 CYS C C 55 174.437 175.980 -1.543 1
1 567 . 10 1 1 A 56 56 GLU N N 56 124.530 123.381 1.149 1
1 568 . 10 1 1 A 56 56 GLU H H 56 8.450 8.722 -0.272 1
1 569 . 10 1 1 A 56 56 GLU CA C 56 59.363 59.048 0.315 1
1 570 . 10 1 1 A 56 56 GLU HA H 56 4.471 4.225 0.246 1
1 571 . 10 1 1 A 56 56 GLU CB C 56 31.217 30.731 0.486 1
1 575 . 10 1 1 A 56 56 GLU C C 56 176.847 176.597 0.250 1
1 578 . 10 1 1 A 57 57 GLU N N 57 114.661 114.193 0.468 1
1 579 . 10 1 1 A 57 57 GLU H H 57 7.478 7.773 -0.295 1
1 580 . 10 1 1 A 57 57 GLU CA C 57 55.551 55.490 0.061 1
1 581 . 10 1 1 A 57 57 GLU HA H 57 5.414 4.683 0.731 1
1 582 . 10 1 1 A 57 57 GLU CB C 57 34.084 31.658 2.426 1
1 586 . 10 1 1 A 57 57 GLU C C 57 174.400 173.837 0.563 1
1 589 . 10 1 1 A 58 58 VAL N N 58 123.611 119.801 3.810 1
1 590 . 10 1 1 A 58 58 VAL H H 58 8.605 8.428 0.177 1
1 591 . 10 1 1 A 58 58 VAL CA C 58 62.048 61.717 0.331 1
1 592 . 10 1 1 A 58 58 VAL HA H 58 4.941 4.843 0.098 1
1 593 . 10 1 1 A 58 58 VAL CB C 58 35.700 34.374 1.326 1
1 603 . 10 1 1 A 58 58 VAL C C 58 174.426 174.361 0.065 1
1 604 . 10 1 1 A 59 59 SER N N 59 121.592 123.633 -2.041 1
1 605 . 10 1 1 A 59 59 SER H H 59 9.635 8.996 0.639 1
1 606 . 10 1 1 A 59 59 SER CA C 59 57.012 56.789 0.223 1
1 607 . 10 1 1 A 59 59 SER HA H 59 5.526 4.849 0.677 1
1 608 . 10 1 1 A 59 59 SER CB C 59 65.896 64.003 1.893 1
1 610 . 10 1 1 A 59 59 SER C C 59 172.465 173.408 -0.943 1
1 612 . 10 1 1 A 60 60 MET N N 60 122.508 127.687 -5.179 1
1 613 . 10 1 1 A 60 60 MET H H 60 9.435 9.093 0.342 1
1 614 . 10 1 1 A 60 60 MET CA C 60 54.541 53.735 0.806 1
1 615 . 10 1 1 A 60 60 MET HA H 60 5.352 5.636 -0.284 1
1 616 . 10 1 1 A 60 60 MET CB C 60 37.420 34.483 2.937 1
1 624 . 10 1 1 A 60 60 MET C C 60 174.616 175.494 -0.878 1
1 627 . 10 1 1 A 61 61 LYS N N 61 125.580 123.340 2.240 1
1 628 . 10 1 1 A 61 61 LYS H H 61 8.963 9.141 -0.178 1
1 629 . 10 1 1 A 61 61 LYS CA C 61 54.688 54.996 -0.308 1
1 630 . 10 1 1 A 61 61 LYS HA H 61 5.396 4.904 0.492 1
1 631 . 10 1 1 A 61 61 LYS CB C 61 36.412 36.270 0.142 1
1 639 . 10 1 1 A 61 61 LYS C C 61 175.548 175.112 0.436 1
1 644 . 10 1 1 A 62 62 HIS N N 62 125.822 124.790 1.032 1
1 645 . 10 1 1 A 62 62 HIS H H 62 8.967 8.988 -0.021 1
1 646 . 10 1 1 A 62 62 HIS CA C 62 55.674 53.968 1.706 1
1 647 . 10 1 1 A 62 62 HIS HA H 62 4.621 4.792 -0.171 1
1 648 . 10 1 1 A 62 62 HIS CB C 62 29.732 28.704 1.028 1
1 654 . 10 1 1 A 62 62 HIS C C 62 175.912 174.943 0.969 1
1 656 . 10 1 1 A 63 63 VAL N N 63 124.131 124.030 0.101 1
1 657 . 10 1 1 A 63 63 VAL H H 63 8.633 7.807 0.826 1
1 658 . 10 1 1 A 63 63 VAL CA C 63 61.288 64.432 -3.144 1
1 659 . 10 1 1 A 63 63 VAL HA H 63 4.299 3.646 0.653 1
1 660 . 10 1 1 A 63 63 VAL CB C 63 30.964 32.434 -1.470 1
1 670 . 10 1 1 A 63 63 VAL C C 63 175.339 175.378 -0.039 1
1 671 . 10 1 1 A 64 64 GLY N N 64 108.087 109.917 -1.830 1
1 672 . 10 1 1 A 64 64 GLY H H 64 5.406 6.837 -1.431 1
1 673 . 10 1 1 A 64 64 GLY CA C 64 44.979 43.535 1.444 1
1 674 . 10 1 1 A 64 64 GLY HA3 H 64 3.118 3.782 -0.664 1
1 675 . 10 1 1 A 64 64 GLY C C 64 174.125 173.923 0.202 1
1 676 . 10 1 1 A 64 64 GLY HA2 H 64 4.287 3.202 1.085 1
1 677 . 10 1 1 A 65 65 ASN N N 65 118.292 117.053 1.239 1
1 678 . 10 1 1 A 65 65 ASN H H 65 9.260 9.263 -0.003 1
1 679 . 10 1 1 A 65 65 ASN CA C 65 54.643 54.485 0.158 1
1 680 . 10 1 1 A 65 65 ASN HA H 65 4.401 4.388 0.013 1
1 681 . 10 1 1 A 65 65 ASN CB C 65 37.695 36.963 0.732 1
1 686 . 10 1 1 A 65 65 ASN C C 65 174.079 174.694 -0.615 1
1 688 . 10 1 1 A 66 66 GLN N N 66 111.325 109.130 2.195 1
1 689 . 10 1 1 A 66 66 GLN H H 66 10.512 8.499 2.013 1
1 690 . 10 1 1 A 66 66 GLN CA C 66 57.009 57.188 -0.179 1
1 691 . 10 1 1 A 66 66 GLN HA H 66 3.713 3.964 -0.251 1
1 692 . 10 1 1 A 66 66 GLN CB C 66 24.986 26.516 -1.530 1
1 699 . 10 1 1 A 66 66 GLN C C 66 173.896 174.127 -0.231 1
1 702 . 10 1 1 A 67 67 GLN N N 67 115.692 117.199 -1.507 1
1 703 . 10 1 1 A 67 67 GLN H H 67 7.492 7.538 -0.046 1
1 704 . 10 1 1 A 67 67 GLN CA C 67 54.496 54.501 -0.005 1
1 705 . 10 1 1 A 67 67 GLN HA H 67 5.400 4.857 0.543 1
1 706 . 10 1 1 A 67 67 GLN CB C 67 29.896 31.064 -1.168 1
1 713 . 10 1 1 A 67 67 GLN C C 67 175.043 173.884 1.159 1
1 716 . 10 1 1 A 68 68 TYR N N 68 121.249 122.072 -0.823 1
1 717 . 10 1 1 A 68 68 TYR H H 68 9.573 8.907 0.666 1
1 718 . 10 1 1 A 68 68 TYR CA C 68 56.443 56.755 -0.312 1
1 719 . 10 1 1 A 68 68 TYR HA H 68 5.417 5.237 0.180 1
1 720 . 10 1 1 A 68 68 TYR CB C 68 41.249 40.345 0.904 1
1 730 . 10 1 1 A 68 68 TYR C C 68 174.846 174.670 0.176 1
1 732 . 10 1 1 A 69 69 ASN N N 69 122.429 123.929 -1.500 1
1 733 . 10 1 1 A 69 69 ASN H H 69 9.354 9.443 -0.089 1
1 734 . 10 1 1 A 69 69 ASN CA C 69 52.454 53.062 -0.608 1
1 735 . 10 1 1 A 69 69 ASN HA H 69 5.260 4.916 0.344 1
1 736 . 10 1 1 A 69 69 ASN CB C 69 40.922 40.239 0.683 1
1 741 . 10 1 1 A 69 69 ASN C C 69 174.835 174.292 0.543 1
1 743 . 10 1 1 A 70 70 VAL N N 70 131.599 125.795 5.804 1
1 744 . 10 1 1 A 70 70 VAL H H 70 9.157 8.025 1.132 1
1 745 . 10 1 1 A 70 70 VAL CA C 70 60.900 60.383 0.517 1
1 746 . 10 1 1 A 70 70 VAL HA H 70 4.910 5.103 -0.193 1
1 747 . 10 1 1 A 70 70 VAL CB C 70 31.882 34.475 -2.593 1
1 757 . 10 1 1 A 70 70 VAL C C 70 174.368 174.351 0.017 1
1 758 . 10 1 1 A 71 71 THR N N 71 119.213 120.846 -1.633 1
1 759 . 10 1 1 A 71 71 THR H H 71 8.996 8.574 0.422 1
1 760 . 10 1 1 A 71 71 THR CA C 71 59.796 60.995 -1.199 1
1 761 . 10 1 1 A 71 71 THR HA H 71 5.614 5.147 0.467 1
1 762 . 10 1 1 A 71 71 THR CB C 71 72.339 72.182 0.157 1
1 768 . 10 1 1 A 71 71 THR C C 71 173.260 172.931 0.329 1
1 769 . 10 1 1 A 72 72 TYR N N 72 121.105 120.758 0.347 1
1 770 . 10 1 1 A 72 72 TYR H H 72 9.200 8.524 0.676 1
1 771 . 10 1 1 A 72 72 TYR CA C 72 56.112 55.988 0.124 1
1 772 . 10 1 1 A 72 72 TYR HA H 72 5.600 5.499 0.101 1
1 773 . 10 1 1 A 72 72 TYR CB C 72 41.878 41.317 0.561 1
1 783 . 10 1 1 A 72 72 TYR C C 72 173.176 173.185 -0.009 1
1 785 . 10 1 1 A 73 73 VAL N N 73 118.799 119.496 -0.697 1
1 786 . 10 1 1 A 73 73 VAL H H 73 8.214 8.683 -0.469 1
1 787 . 10 1 1 A 73 73 VAL CA C 73 61.111 61.460 -0.349 1
1 788 . 10 1 1 A 73 73 VAL HA H 73 4.514 4.782 -0.268 1
1 789 . 10 1 1 A 73 73 VAL CB C 73 35.729 34.513 1.216 1
1 799 . 10 1 1 A 73 73 VAL C C 73 175.529 174.977 0.552 1
1 800 . 10 1 1 A 74 74 VAL N N 74 121.061 126.123 -5.062 1
1 801 . 10 1 1 A 74 74 VAL H H 74 8.947 8.646 0.301 1
1 802 . 10 1 1 A 74 74 VAL CA C 74 59.858 61.306 -1.448 1
1 803 . 10 1 1 A 74 74 VAL HA H 74 4.785 4.728 0.057 1
1 804 . 10 1 1 A 74 74 VAL CB C 74 32.795 32.760 0.035 1
1 814 . 10 1 1 A 74 74 VAL C C 74 176.022 176.049 -0.027 1
1 815 . 10 1 1 A 75 75 LYS N N 75 120.273 125.031 -4.758 1
1 816 . 10 1 1 A 75 75 LYS H H 75 9.404 8.895 0.509 1
1 817 . 10 1 1 A 75 75 LYS CA C 75 55.705 56.194 -0.489 1
1 818 . 10 1 1 A 75 75 LYS HA H 75 4.653 4.613 0.040 1
1 819 . 10 1 1 A 75 75 LYS CB C 75 34.767 32.891 1.876 1
1 827 . 10 1 1 A 75 75 LYS C C 75 175.025 176.022 -0.997 1
1 832 . 10 1 1 A 76 76 GLU N N 76 117.540 120.964 -3.424 1
1 833 . 10 1 1 A 76 76 GLU H H 76 7.224 7.403 -0.179 1
1 834 . 10 1 1 A 76 76 GLU CA C 76 54.893 55.246 -0.353 1
1 835 . 10 1 1 A 76 76 GLU HA H 76 4.747 5.035 -0.288 1
1 836 . 10 1 1 A 76 76 GLU CB C 76 33.199 33.615 -0.416 1
1 840 . 10 1 1 A 76 76 GLU C C 76 175.664 174.718 0.946 1
1 843 . 10 1 1 A 77 77 ARG N N 77 125.564 122.374 3.190 1
1 844 . 10 1 1 A 77 77 ARG H H 77 8.906 8.573 0.333 1
1 845 . 10 1 1 A 77 77 ARG CA C 77 56.610 54.383 2.227 1
1 846 . 10 1 1 A 77 77 ARG HA H 77 4.234 5.068 -0.834 1
1 847 . 10 1 1 A 77 77 ARG CB C 77 31.036 32.966 -1.930 1
1 855 . 10 1 1 A 77 77 ARG C C 77 174.779 175.101 -0.322 1
1 859 . 10 1 1 A 78 78 GLY N N 78 108.773 107.223 1.550 1
1 860 . 10 1 1 A 78 78 GLY H H 78 8.928 8.180 0.748 1
1 861 . 10 1 1 A 78 78 GLY CA C 78 44.418 44.462 -0.044 1
1 862 . 10 1 1 A 78 78 GLY HA3 H 78 3.770 4.232 -0.462 1
1 863 . 10 1 1 A 78 78 GLY C C 78 171.452 173.074 -1.622 1
1 864 . 10 1 1 A 78 78 GLY HA2 H 78 4.467 4.218 0.249 1
1 865 . 10 1 1 A 79 79 ASP N N 79 120.109 122.290 -2.181 1
1 866 . 10 1 1 A 79 79 ASP H H 79 8.070 8.445 -0.375 1
1 867 . 10 1 1 A 79 79 ASP CA C 79 54.204 53.141 1.063 1
1 868 . 10 1 1 A 79 79 ASP HA H 79 5.344 5.483 -0.139 1
1 869 . 10 1 1 A 79 79 ASP CB C 79 42.148 41.943 0.205 1
1 871 . 10 1 1 A 79 79 ASP C C 79 175.474 175.139 0.335 1
1 873 . 10 1 1 A 80 80 TYR N N 80 121.969 121.992 -0.023 1
1 874 . 10 1 1 A 80 80 TYR H H 80 9.412 9.592 -0.180 1
1 875 . 10 1 1 A 80 80 TYR CA C 80 56.872 56.551 0.321 1
1 876 . 10 1 1 A 80 80 TYR HA H 80 4.821 5.200 -0.379 1
1 877 . 10 1 1 A 80 80 TYR CB C 80 41.557 42.220 -0.663 1
1 887 . 10 1 1 A 80 80 TYR C C 80 175.552 174.862 0.690 1
1 889 . 10 1 1 A 81 81 VAL N N 81 121.669 121.915 -0.246 1
1 890 . 10 1 1 A 81 81 VAL H H 81 8.688 8.716 -0.028 1
1 891 . 10 1 1 A 81 81 VAL CA C 81 61.217 61.211 0.006 1
1 892 . 10 1 1 A 81 81 VAL HA H 81 4.606 4.652 -0.046 1
1 893 . 10 1 1 A 81 81 VAL CB C 81 33.990 33.137 0.853 1
1 903 . 10 1 1 A 81 81 VAL C C 81 173.568 174.368 -0.800 1
1 904 . 10 1 1 A 82 82 LEU N N 82 129.806 130.535 -0.729 1
1 905 . 10 1 1 A 82 82 LEU H H 82 8.873 8.572 0.301 1
1 906 . 10 1 1 A 82 82 LEU CA C 82 53.321 54.037 -0.716 1
1 907 . 10 1 1 A 82 82 LEU HA H 82 5.150 4.876 0.274 1
1 908 . 10 1 1 A 82 82 LEU CB C 82 44.594 43.249 1.345 1
1 920 . 10 1 1 A 82 82 LEU C C 82 174.427 174.821 -0.394 1
1 922 . 10 1 1 A 83 83 ALA N N 83 128.482 130.342 -1.860 1
1 923 . 10 1 1 A 83 83 ALA H H 83 9.294 9.009 0.285 1
1 924 . 10 1 1 A 83 83 ALA CA C 83 50.133 50.541 -0.408 1
1 925 . 10 1 1 A 83 83 ALA HA H 83 5.081 5.053 0.028 1
1 926 . 10 1 1 A 83 83 ALA CB C 83 21.500 20.391 1.109 1
1 930 . 10 1 1 A 83 83 ALA C C 83 174.991 175.963 -0.972 1
1 931 . 10 1 1 A 84 84 VAL N N 84 121.691 123.915 -2.224 1
1 932 . 10 1 1 A 84 84 VAL H H 84 9.222 9.170 0.052 1
1 933 . 10 1 1 A 84 84 VAL CA C 84 61.324 61.387 -0.063 1
1 934 . 10 1 1 A 84 84 VAL HA H 84 4.785 4.683 0.102 1
1 935 . 10 1 1 A 84 84 VAL CB C 84 34.116 33.196 0.920 1
1 945 . 10 1 1 A 84 84 VAL C C 84 174.156 175.104 -0.948 1
1 946 . 10 1 1 A 85 85 LYS N N 85 124.020 126.419 -2.399 1
1 947 . 10 1 1 A 85 85 LYS H H 85 9.193 8.897 0.296 1
1 948 . 10 1 1 A 85 85 LYS CA C 85 54.222 54.810 -0.588 1
1 949 . 10 1 1 A 85 85 LYS HA H 85 4.958 5.205 -0.247 1
1 950 . 10 1 1 A 85 85 LYS CB C 85 34.814 35.024 -0.210 1
1 958 . 10 1 1 A 85 85 LYS C C 85 173.704 175.183 -1.479 1
1 963 . 10 1 1 A 86 86 TRP N N 86 123.429 124.426 -0.997 1
1 964 . 10 1 1 A 86 86 TRP H H 86 8.623 8.911 -0.288 1
1 965 . 10 1 1 A 86 86 TRP CA C 86 53.803 56.471 -2.668 1
1 966 . 10 1 1 A 86 86 TRP HA H 86 5.583 4.920 0.663 1
1 967 . 10 1 1 A 86 86 TRP CB C 86 32.084 31.793 0.291 1
1 981 . 10 1 1 A 86 86 TRP C C 86 176.916 175.905 1.011 1
1 983 . 10 1 1 A 87 87 GLY N N 87 116.722 114.879 1.843 1
1 984 . 10 1 1 A 87 87 GLY H H 87 8.782 8.745 0.037 1
1 985 . 10 1 1 A 87 87 GLY CA C 87 46.432 46.576 -0.144 1
1 986 . 10 1 1 A 87 87 GLY HA3 H 87 3.152 3.568 -0.416 1
1 987 . 10 1 1 A 87 87 GLY C C 87 173.838 174.050 -0.212 1
1 988 . 10 1 1 A 87 87 GLY HA2 H 87 3.732 3.339 0.393 1
1 989 . 10 1 1 A 88 88 GLU N N 88 122.405 110.616 11.789 1
1 990 . 10 1 1 A 88 88 GLU H H 88 8.592 8.410 0.182 1
1 991 . 10 1 1 A 88 88 GLU CA C 88 56.004 57.644 -1.640 1
1 992 . 10 1 1 A 88 88 GLU HA H 88 4.057 3.795 0.262 1
1 993 . 10 1 1 A 88 88 GLU CB C 88 29.764 27.261 2.503 1
1 997 . 10 1 1 A 88 88 GLU C C 88 176.465 174.844 1.621 1
1 1000 . 10 1 1 A 89 89 GLU N N 89 117.358 117.093 0.265 1
1 1001 . 10 1 1 A 89 89 GLU H H 89 7.226 7.546 -0.320 1
1 1002 . 10 1 1 A 89 89 GLU CA C 89 54.921 54.808 0.113 1
1 1003 . 10 1 1 A 89 89 GLU HA H 89 4.580 5.152 -0.572 1
1 1004 . 10 1 1 A 89 89 GLU CB C 89 33.160 34.184 -1.024 1
1 1008 . 10 1 1 A 89 89 GLU C C 89 175.674 174.870 0.804 1
1 1011 . 10 1 1 A 90 90 HIS N N 90 122.210 116.424 5.786 1
1 1012 . 10 1 1 A 90 90 HIS H H 90 8.603 8.809 -0.206 1
1 1013 . 10 1 1 A 90 90 HIS CA C 90 58.321 54.463 3.858 1
1 1014 . 10 1 1 A 90 90 HIS HA H 90 4.343 5.154 -0.811 1
1 1015 . 10 1 1 A 90 90 HIS CB C 90 32.786 31.902 0.884 1
1 1021 . 10 1 1 A 90 90 HIS C C 90 177.001 175.194 1.807 1
1 1023 . 10 1 1 A 91 91 ILE N N 91 117.760 122.684 -4.924 1
1 1024 . 10 1 1 A 91 91 ILE H H 91 8.289 8.193 0.096 1
1 1025 . 10 1 1 A 91 91 ILE CA C 91 61.019 60.255 0.764 1
1 1026 . 10 1 1 A 91 91 ILE HA H 91 4.482 4.216 0.266 1
1 1027 . 10 1 1 A 91 91 ILE CB C 91 35.655 37.867 -2.212 1
1 1039 . 10 1 1 A 91 91 ILE C C 91 173.231 175.465 -2.234 1
1 1041 . 10 1 1 A 92 92 PRO CA C 92 65.378 63.290 2.088 1
1 1042 . 10 1 1 A 92 92 PRO HA H 92 4.207 4.434 -0.227 1
1 1043 . 10 1 1 A 92 92 PRO CB C 92 31.301 30.793 0.508 1
1 1049 . 10 1 1 A 92 92 PRO C C 92 177.559 177.359 0.200 1
1 1053 . 10 1 1 A 93 93 GLY N N 93 115.174 112.992 2.182 1
1 1054 . 10 1 1 A 93 93 GLY H H 93 8.291 8.218 0.073 1
1 1055 . 10 1 1 A 93 93 GLY CA C 93 44.729 44.782 -0.053 1
1 1056 . 10 1 1 A 93 93 GLY HA3 H 93 3.122 3.688 -0.566 1
1 1057 . 10 1 1 A 93 93 GLY C C 93 171.695 173.597 -1.902 1
1 1058 . 10 1 1 A 93 93 GLY HA2 H 93 4.116 3.494 0.622 1
1 1059 . 10 1 1 A 94 94 SER N N 94 112.948 116.792 -3.844 1
1 1060 . 10 1 1 A 94 94 SER H H 94 7.612 7.401 0.211 1
1 1061 . 10 1 1 A 94 94 SER CA C 94 54.585 55.103 -0.518 1
1 1062 . 10 1 1 A 94 94 SER HA H 94 4.002 4.537 -0.535 1
1 1063 . 10 1 1 A 94 94 SER CB C 94 62.348 64.702 -2.354 1
1 1065 . 10 1 1 A 94 94 SER C C 94 174.321 172.520 1.801 1
1 1067 . 10 1 1 A 95 95 PRO CA C 95 62.338 62.996 -0.658 1
1 1068 . 10 1 1 A 95 95 PRO HA H 95 5.296 4.806 0.490 1
1 1069 . 10 1 1 A 95 95 PRO CB C 95 33.730 32.424 1.306 1
1 1075 . 10 1 1 A 95 95 PRO C C 95 175.728 176.977 -1.249 1
1 1079 . 10 1 1 A 96 96 PHE N N 96 124.415 121.471 2.944 1
1 1080 . 10 1 1 A 96 96 PHE H H 96 9.643 8.358 1.285 1
1 1081 . 10 1 1 A 96 96 PHE CA C 96 57.405 57.915 -0.510 1
1 1082 . 10 1 1 A 96 96 PHE HA H 96 4.474 4.924 -0.450 1
1 1083 . 10 1 1 A 96 96 PHE CB C 96 40.160 39.888 0.272 1
1 1095 . 10 1 1 A 96 96 PHE C C 96 175.736 175.438 0.298 1
1 1097 . 10 1 1 A 97 97 HIS N N 97 121.364 121.803 -0.439 1
1 1098 . 10 1 1 A 97 97 HIS H H 97 8.898 8.969 -0.071 1
1 1099 . 10 1 1 A 97 97 HIS CA C 97 55.214 54.666 0.548 1
1 1100 . 10 1 1 A 97 97 HIS HA H 97 5.124 5.040 0.084 1
1 1101 . 10 1 1 A 97 97 HIS CB C 97 29.981 30.997 -1.016 1
1 1107 . 10 1 1 A 97 97 HIS C C 97 173.895 173.177 0.718 1
1 1109 . 10 1 1 A 98 98 VAL N N 98 127.912 128.943 -1.031 1
1 1110 . 10 1 1 A 98 98 VAL H H 98 8.582 9.096 -0.514 1
1 1111 . 10 1 1 A 98 98 VAL CA C 98 61.467 61.513 -0.046 1
1 1112 . 10 1 1 A 98 98 VAL HA H 98 4.096 4.561 -0.465 1
1 1113 . 10 1 1 A 98 98 VAL CB C 98 35.455 32.813 2.642 1
1 1123 . 10 1 1 A 98 98 VAL C C 98 174.874 175.152 -0.278 1
1 1124 . 10 1 1 A 99 99 THR N N 99 123.090 123.518 -0.428 1
1 1125 . 10 1 1 A 99 99 THR H H 99 8.117 8.762 -0.645 1
1 1126 . 10 1 1 A 99 99 THR CA C 99 62.031 61.769 0.262 1
1 1127 . 10 1 1 A 99 99 THR HA H 99 4.852 5.051 -0.199 1
1 1128 . 10 1 1 A 99 99 THR CB C 99 70.661 70.077 0.584 1
1 1134 . 10 1 1 A 99 99 THR C C 99 173.264 174.143 -0.879 1
1 1135 . 10 1 1 A 100 100 VAL N N 100 129.827 126.699 3.128 1
1 1136 . 10 1 1 A 100 100 VAL H H 100 8.812 9.180 -0.368 1
1 1137 . 10 1 1 A 100 100 VAL CA C 100 58.577 58.938 -0.361 1
1 1138 . 10 1 1 A 100 100 VAL HA H 100 5.053 4.847 0.206 1
1 1139 . 10 1 1 A 100 100 VAL CB C 100 33.365 32.916 0.449 1
1 1149 . 10 1 1 A 100 100 VAL C C 100 174.927 174.539 0.388 1
1 1 . 11 1 1 A 6 6 SER CA C 6 58.666 56.814 1.852 1
1 2 . 11 1 1 A 6 6 SER HA H 6 4.514 5.238 -0.724 1
1 3 . 11 1 1 A 6 6 SER CB C 6 63.933 64.601 -0.668 1
1 5 . 11 1 1 A 6 6 SER C C 6 175.074 173.516 1.558 1
1 7 . 11 1 1 A 7 7 GLY N N 7 110.792 111.809 -1.017 1
1 8 . 11 1 1 A 7 7 GLY H H 7 8.450 9.084 -0.634 1
1 9 . 11 1 1 A 7 7 GLY CA C 7 45.406 46.012 -0.606 1
1 10 . 11 1 1 A 7 7 GLY HA3 H 7 4.052 4.151 -0.099 1
1 11 . 11 1 1 A 7 7 GLY C C 7 174.270 172.380 1.890 1
1 12 . 11 1 1 A 7 7 GLY HA2 H 7 4.052 4.141 -0.089 1
1 13 . 11 1 1 A 8 8 SER N N 8 115.558 119.678 -4.120 1
1 14 . 11 1 1 A 8 8 SER H H 8 8.274 8.608 -0.334 1
1 15 . 11 1 1 A 8 8 SER CA C 8 58.332 57.425 0.907 1
1 16 . 11 1 1 A 8 8 SER HA H 8 4.557 5.079 -0.522 1
1 17 . 11 1 1 A 8 8 SER CB C 8 63.930 64.758 -0.828 1
1 19 . 11 1 1 A 8 8 SER C C 8 174.064 172.606 1.458 1
1 21 . 11 1 1 A 9 9 SER N N 9 116.801 117.660 -0.859 1
1 22 . 11 1 1 A 9 9 SER H H 9 8.227 8.866 -0.639 1
1 23 . 11 1 1 A 9 9 SER CA C 9 58.075 56.702 1.373 1
1 24 . 11 1 1 A 9 9 SER HA H 9 5.001 5.620 -0.619 1
1 25 . 11 1 1 A 9 9 SER CB C 9 64.491 64.722 -0.231 1
1 27 . 11 1 1 A 9 9 SER C C 9 174.318 172.387 1.931 1
1 29 . 11 1 1 A 10 10 ASP N N 10 122.324 127.556 -5.232 1
1 30 . 11 1 1 A 10 10 ASP H H 10 8.262 8.704 -0.442 1
1 31 . 11 1 1 A 10 10 ASP CA C 10 53.833 52.740 1.093 1
1 32 . 11 1 1 A 10 10 ASP HA H 10 4.892 5.122 -0.230 1
1 33 . 11 1 1 A 10 10 ASP CB C 10 41.497 42.239 -0.742 1
1 35 . 11 1 1 A 10 10 ASP C C 10 176.306 176.807 -0.501 1
1 37 . 11 1 1 A 11 11 ALA N N 11 126.255 129.839 -3.584 1
1 38 . 11 1 1 A 11 11 ALA H H 11 9.091 9.030 0.061 1
1 39 . 11 1 1 A 11 11 ALA CA C 11 54.713 55.482 -0.769 1
1 40 . 11 1 1 A 11 11 ALA HA H 11 4.056 4.137 -0.081 1
1 41 . 11 1 1 A 11 11 ALA CB C 11 20.177 18.391 1.786 1
1 45 . 11 1 1 A 11 11 ALA C C 11 177.950 179.761 -1.811 1
1 46 . 11 1 1 A 12 12 SER N N 12 110.658 113.421 -2.763 1
1 47 . 11 1 1 A 12 12 SER H H 12 8.224 7.765 0.459 1
1 48 . 11 1 1 A 12 12 SER CA C 12 60.857 61.580 -0.723 1
1 49 . 11 1 1 A 12 12 SER HA H 12 4.240 4.207 0.033 1
1 50 . 11 1 1 A 12 12 SER CB C 12 62.964 63.070 -0.106 1
1 52 . 11 1 1 A 12 12 SER C C 12 175.312 176.058 -0.746 1
1 54 . 11 1 1 A 13 13 LYS N N 13 119.063 117.946 1.117 1
1 55 . 11 1 1 A 13 13 LYS H H 13 7.349 7.745 -0.396 1
1 56 . 11 1 1 A 13 13 LYS CA C 13 54.948 57.717 -2.769 1
1 57 . 11 1 1 A 13 13 LYS HA H 13 4.293 4.352 -0.059 1
1 58 . 11 1 1 A 13 13 LYS CB C 13 33.037 33.125 -0.088 1
1 66 . 11 1 1 A 13 13 LYS C C 13 177.263 177.447 -0.184 1
1 71 . 11 1 1 A 14 14 VAL N N 14 124.317 120.631 3.686 1
1 72 . 11 1 1 A 14 14 VAL H H 14 7.500 7.399 0.101 1
1 73 . 11 1 1 A 14 14 VAL CA C 14 63.797 62.841 0.956 1
1 74 . 11 1 1 A 14 14 VAL HA H 14 3.870 3.708 0.162 1
1 75 . 11 1 1 A 14 14 VAL CB C 14 31.996 31.253 0.743 1
1 85 . 11 1 1 A 14 14 VAL C C 14 175.873 175.252 0.621 1
1 86 . 11 1 1 A 15 15 THR N N 15 117.704 119.421 -1.717 1
1 87 . 11 1 1 A 15 15 THR H H 15 8.197 8.320 -0.123 1
1 88 . 11 1 1 A 15 15 THR CA C 15 59.805 59.474 0.331 1
1 89 . 11 1 1 A 15 15 THR HA H 15 4.911 5.311 -0.400 1
1 90 . 11 1 1 A 15 15 THR CB C 15 71.373 71.479 -0.106 1
1 96 . 11 1 1 A 15 15 THR C C 15 172.695 174.076 -1.381 1
1 97 . 11 1 1 A 16 16 SER N N 16 113.256 117.289 -4.033 1
1 98 . 11 1 1 A 16 16 SER H H 16 8.442 9.060 -0.618 1
1 99 . 11 1 1 A 16 16 SER CA C 16 57.155 56.212 0.943 1
1 100 . 11 1 1 A 16 16 SER HA H 16 5.564 5.383 0.181 1
1 101 . 11 1 1 A 16 16 SER CB C 16 66.124 65.947 0.177 1
1 103 . 11 1 1 A 16 16 SER C C 16 173.455 173.793 -0.338 1
1 105 . 11 1 1 A 17 17 LYS N N 17 117.543 120.368 -2.825 1
1 106 . 11 1 1 A 17 17 LYS H H 17 8.870 8.867 0.003 1
1 107 . 11 1 1 A 17 17 LYS CA C 17 56.063 54.419 1.644 1
1 108 . 11 1 1 A 17 17 LYS HA H 17 4.673 5.176 -0.503 1
1 109 . 11 1 1 A 17 17 LYS CB C 17 35.602 36.423 -0.821 1
1 117 . 11 1 1 A 17 17 LYS C C 17 174.625 175.170 -0.545 1
1 122 . 11 1 1 A 18 18 GLY N N 18 110.702 107.880 2.822 1
1 123 . 11 1 1 A 18 18 GLY H H 18 8.746 8.560 0.186 1
1 124 . 11 1 1 A 18 18 GLY CA C 18 44.501 44.918 -0.417 1
1 125 . 11 1 1 A 18 18 GLY HA3 H 18 3.998 4.357 -0.359 1
1 126 . 11 1 1 A 18 18 GLY C C 18 175.460 174.842 0.618 1
1 127 . 11 1 1 A 18 18 GLY HA2 H 18 4.947 4.306 0.641 1
1 128 . 11 1 1 A 19 19 ALA CA C 19 55.387 55.353 0.034 1
1 129 . 11 1 1 A 19 19 ALA HA H 19 4.229 4.071 0.158 1
1 130 . 11 1 1 A 19 19 ALA CB C 19 18.689 18.428 0.261 1
1 134 . 11 1 1 A 19 19 ALA C C 19 179.606 179.502 0.104 1
1 135 . 11 1 1 A 20 20 GLY N N 20 101.587 107.140 -5.553 1
1 136 . 11 1 1 A 20 20 GLY H H 20 8.466 8.373 0.093 1
1 137 . 11 1 1 A 20 20 GLY CA C 20 46.078 47.258 -1.180 1
1 138 . 11 1 1 A 20 20 GLY HA3 H 20 3.596 3.955 -0.359 1
1 139 . 11 1 1 A 20 20 GLY C C 20 173.214 176.754 -3.540 1
1 140 . 11 1 1 A 20 20 GLY HA2 H 20 4.689 3.954 0.735 1
1 141 . 11 1 1 A 21 21 LEU N N 21 115.987 122.902 -6.915 1
1 142 . 11 1 1 A 21 21 LEU H H 21 6.928 8.015 -1.087 1
1 143 . 11 1 1 A 21 21 LEU CA C 21 55.567 57.270 -1.703 1
1 144 . 11 1 1 A 21 21 LEU HA H 21 3.404 3.813 -0.409 1
1 145 . 11 1 1 A 21 21 LEU CB C 21 41.702 41.032 0.670 1
1 157 . 11 1 1 A 21 21 LEU C C 21 175.989 179.394 -3.405 1
1 159 . 11 1 1 A 22 22 SER N N 22 106.483 113.170 -6.687 1
1 160 . 11 1 1 A 22 22 SER H H 22 7.808 8.133 -0.325 1
1 161 . 11 1 1 A 22 22 SER CA C 22 58.956 60.721 -1.765 1
1 162 . 11 1 1 A 22 22 SER HA H 22 4.901 4.489 0.412 1
1 163 . 11 1 1 A 22 22 SER CB C 22 66.238 63.797 2.441 1
1 165 . 11 1 1 A 22 22 SER C C 22 174.051 174.063 -0.012 1
1 167 . 11 1 1 A 23 23 LYS N N 23 124.757 115.118 9.639 1
1 168 . 11 1 1 A 23 23 LYS H H 23 8.399 8.040 0.359 1
1 169 . 11 1 1 A 23 23 LYS CA C 23 55.676 55.024 0.652 1
1 170 . 11 1 1 A 23 23 LYS HA H 23 4.973 4.737 0.236 1
1 171 . 11 1 1 A 23 23 LYS CB C 23 36.338 35.690 0.648 1
1 179 . 11 1 1 A 23 23 LYS C C 23 173.136 174.116 -0.980 1
1 184 . 11 1 1 A 24 24 ALA N N 24 123.565 121.853 1.712 1
1 185 . 11 1 1 A 24 24 ALA H H 24 7.541 8.401 -0.860 1
1 186 . 11 1 1 A 24 24 ALA CA C 24 51.148 50.713 0.435 1
1 187 . 11 1 1 A 24 24 ALA HA H 24 4.256 5.455 -1.199 1
1 188 . 11 1 1 A 24 24 ALA CB C 24 22.019 24.015 -1.996 1
1 192 . 11 1 1 A 24 24 ALA C C 24 173.515 175.855 -2.340 1
1 193 . 11 1 1 A 25 25 PHE N N 25 114.269 116.452 -2.183 1
1 194 . 11 1 1 A 25 25 PHE H H 25 7.858 8.893 -1.035 1
1 195 . 11 1 1 A 25 25 PHE CA C 25 55.809 56.310 -0.501 1
1 196 . 11 1 1 A 25 25 PHE HA H 25 5.191 4.977 0.214 1
1 197 . 11 1 1 A 25 25 PHE CB C 25 41.943 42.298 -0.355 1
1 209 . 11 1 1 A 25 25 PHE C C 25 177.046 175.659 1.387 1
1 211 . 11 1 1 A 26 26 VAL N N 26 123.270 122.619 0.651 1
1 212 . 11 1 1 A 26 26 VAL H H 26 9.338 8.665 0.673 1
1 213 . 11 1 1 A 26 26 VAL CA C 26 65.054 65.300 -0.246 1
1 214 . 11 1 1 A 26 26 VAL HA H 26 3.441 3.554 -0.113 1
1 215 . 11 1 1 A 26 26 VAL CB C 26 31.757 31.471 0.286 1
1 225 . 11 1 1 A 26 26 VAL C C 26 178.201 177.292 0.909 1
1 226 . 11 1 1 A 27 27 GLY N N 27 112.668 114.954 -2.286 1
1 227 . 11 1 1 A 27 27 GLY H H 27 8.862 8.653 0.209 1
1 228 . 11 1 1 A 27 27 GLY CA C 27 45.857 45.362 0.495 1
1 229 . 11 1 1 A 27 27 GLY HA3 H 27 4.229 4.023 0.206 1
1 230 . 11 1 1 A 27 27 GLY C C 27 173.411 174.277 -0.866 1
1 231 . 11 1 1 A 27 27 GLY HA2 H 27 3.631 4.019 -0.388 1
1 232 . 11 1 1 A 28 28 GLN N N 28 118.568 120.909 -2.341 1
1 233 . 11 1 1 A 28 28 GLN H H 28 7.755 7.916 -0.161 1
1 234 . 11 1 1 A 28 28 GLN CA C 28 53.825 56.804 -2.979 1
1 235 . 11 1 1 A 28 28 GLN HA H 28 4.690 4.322 0.368 1
1 236 . 11 1 1 A 28 28 GLN CB C 28 30.975 29.764 1.211 1
1 243 . 11 1 1 A 28 28 GLN C C 28 175.517 175.621 -0.104 1
1 246 . 11 1 1 A 29 29 LYS N N 29 123.598 125.889 -2.291 1
1 247 . 11 1 1 A 29 29 LYS H H 29 8.839 8.627 0.212 1
1 248 . 11 1 1 A 29 29 LYS CA C 29 57.587 56.410 1.177 1
1 249 . 11 1 1 A 29 29 LYS HA H 29 4.158 4.524 -0.366 1
1 250 . 11 1 1 A 29 29 LYS CB C 29 32.381 32.670 -0.289 1
1 258 . 11 1 1 A 29 29 LYS C C 29 176.190 175.469 0.721 1
1 263 . 11 1 1 A 30 30 SER N N 30 124.030 124.748 -0.718 1
1 264 . 11 1 1 A 30 30 SER H H 30 8.694 8.217 0.477 1
1 265 . 11 1 1 A 30 30 SER CA C 30 57.560 58.168 -0.608 1
1 266 . 11 1 1 A 30 30 SER HA H 30 4.758 4.928 -0.170 1
1 267 . 11 1 1 A 30 30 SER CB C 30 64.143 63.965 0.178 1
1 269 . 11 1 1 A 30 30 SER C C 30 173.413 173.571 -0.158 1
1 271 . 11 1 1 A 31 31 SER N N 31 116.828 119.002 -2.174 1
1 272 . 11 1 1 A 31 31 SER H H 31 8.894 8.610 0.284 1
1 273 . 11 1 1 A 31 31 SER CA C 31 57.132 55.541 1.591 1
1 274 . 11 1 1 A 31 31 SER HA H 31 6.181 5.312 0.869 1
1 275 . 11 1 1 A 31 31 SER CB C 31 67.745 66.467 1.278 1
1 277 . 11 1 1 A 31 31 SER C C 31 174.171 173.548 0.623 1
1 279 . 11 1 1 A 32 32 PHE N N 32 117.724 116.786 0.938 1
1 280 . 11 1 1 A 32 32 PHE H H 32 8.853 8.380 0.473 1
1 281 . 11 1 1 A 32 32 PHE CA C 32 57.190 56.288 0.902 1
1 282 . 11 1 1 A 32 32 PHE HA H 32 5.016 5.139 -0.123 1
1 283 . 11 1 1 A 32 32 PHE CB C 32 40.712 41.490 -0.778 1
1 295 . 11 1 1 A 32 32 PHE C C 32 170.765 172.002 -1.237 1
1 297 . 11 1 1 A 33 33 LEU N N 33 121.533 123.820 -2.287 1
1 298 . 11 1 1 A 33 33 LEU H H 33 9.223 8.821 0.402 1
1 299 . 11 1 1 A 33 33 LEU CA C 33 53.636 53.699 -0.063 1
1 300 . 11 1 1 A 33 33 LEU HA H 33 5.531 5.145 0.386 1
1 301 . 11 1 1 A 33 33 LEU CB C 33 46.278 44.992 1.286 1
1 313 . 11 1 1 A 33 33 LEU C C 33 176.559 174.471 2.088 1
1 315 . 11 1 1 A 34 34 VAL N N 34 123.140 126.750 -3.610 1
1 316 . 11 1 1 A 34 34 VAL H H 34 9.257 8.809 0.448 1
1 317 . 11 1 1 A 34 34 VAL CA C 34 61.182 61.499 -0.317 1
1 318 . 11 1 1 A 34 34 VAL HA H 34 4.785 4.710 0.075 1
1 319 . 11 1 1 A 34 34 VAL CB C 34 34.589 33.871 0.718 1
1 329 . 11 1 1 A 34 34 VAL C C 34 174.370 173.800 0.570 1
1 330 . 11 1 1 A 35 35 ASP N N 35 126.353 127.669 -1.316 1
1 331 . 11 1 1 A 35 35 ASP H H 35 9.312 8.862 0.450 1
1 332 . 11 1 1 A 35 35 ASP CA C 35 53.298 53.056 0.242 1
1 333 . 11 1 1 A 35 35 ASP HA H 35 5.229 4.770 0.459 1
1 334 . 11 1 1 A 35 35 ASP CB C 35 41.538 40.861 0.677 1
1 336 . 11 1 1 A 35 35 ASP C C 35 176.980 175.950 1.030 1
1 338 . 11 1 1 A 36 36 CYS N N 36 125.342 126.010 -0.668 1
1 339 . 11 1 1 A 36 36 CYS H H 36 9.275 8.748 0.527 1
1 340 . 11 1 1 A 36 36 CYS CA C 36 57.367 58.239 -0.872 1
1 341 . 11 1 1 A 36 36 CYS HA H 36 4.374 4.643 -0.269 1
1 342 . 11 1 1 A 36 36 CYS CB C 36 28.369 28.218 0.151 1
1 344 . 11 1 1 A 36 36 CYS C C 36 177.015 175.135 1.880 1
1 346 . 11 1 1 A 37 37 SER N N 37 119.973 117.167 2.806 1
1 347 . 11 1 1 A 37 37 SER H H 37 9.039 8.294 0.745 1
1 348 . 11 1 1 A 37 37 SER CA C 37 62.787 61.432 1.355 1
1 349 . 11 1 1 A 37 37 SER HA H 37 3.932 4.305 -0.373 1
1 350 . 11 1 1 A 37 37 SER CB C 37 62.982 63.079 -0.097 1
1 352 . 11 1 1 A 37 37 SER C C 37 176.290 176.567 -0.277 1
1 354 . 11 1 1 A 38 38 LYS N N 38 120.815 119.176 1.639 1
1 355 . 11 1 1 A 38 38 LYS H H 38 8.676 8.039 0.637 1
1 356 . 11 1 1 A 38 38 LYS CA C 38 55.123 59.010 -3.887 1
1 357 . 11 1 1 A 38 38 LYS HA H 38 4.730 4.023 0.707 1
1 358 . 11 1 1 A 38 38 LYS CB C 38 32.250 31.646 0.604 1
1 366 . 11 1 1 A 38 38 LYS C C 38 176.385 178.671 -2.286 1
1 371 . 11 1 1 A 39 39 ALA N N 39 121.594 122.228 -0.634 1
1 372 . 11 1 1 A 39 39 ALA H H 39 7.322 7.886 -0.564 1
1 373 . 11 1 1 A 39 39 ALA CA C 39 52.127 54.814 -2.687 1
1 374 . 11 1 1 A 39 39 ALA HA H 39 4.436 4.077 0.359 1
1 375 . 11 1 1 A 39 39 ALA CB C 39 21.347 19.264 2.083 1
1 379 . 11 1 1 A 39 39 ALA C C 39 177.453 177.848 -0.395 1
1 380 . 11 1 1 A 40 40 GLY N N 40 111.873 102.803 9.070 1
1 381 . 11 1 1 A 40 40 GLY H H 40 8.755 7.114 1.641 1
1 382 . 11 1 1 A 40 40 GLY CA C 40 45.619 45.877 -0.258 1
1 383 . 11 1 1 A 40 40 GLY HA3 H 40 4.329 4.322 0.007 1
1 384 . 11 1 1 A 40 40 GLY C C 40 173.801 172.349 1.452 1
1 385 . 11 1 1 A 40 40 GLY HA2 H 40 3.754 4.263 -0.509 1
1 386 . 11 1 1 A 41 41 SER N N 41 117.149 117.903 -0.754 1
1 387 . 11 1 1 A 41 41 SER H H 41 8.524 8.609 -0.085 1
1 388 . 11 1 1 A 41 41 SER CA C 41 56.849 57.677 -0.828 1
1 389 . 11 1 1 A 41 41 SER HA H 41 5.010 5.295 -0.285 1
1 390 . 11 1 1 A 41 41 SER CB C 41 63.917 64.848 -0.931 1
1 392 . 11 1 1 A 41 41 SER C C 41 172.603 173.165 -0.562 1
1 394 . 11 1 1 A 42 42 ASN N N 42 125.590 122.448 3.142 1
1 395 . 11 1 1 A 42 42 ASN H H 42 7.155 8.490 -1.335 1
1 396 . 11 1 1 A 42 42 ASN CA C 42 50.805 51.043 -0.238 1
1 397 . 11 1 1 A 42 42 ASN HA H 42 3.256 5.193 -1.937 1
1 398 . 11 1 1 A 42 42 ASN CB C 42 39.354 42.537 -3.183 1
1 403 . 11 1 1 A 42 42 ASN C C 42 170.908 173.151 -2.243 1
1 405 . 11 1 1 A 43 43 MET N N 43 115.129 119.016 -3.887 1
1 406 . 11 1 1 A 43 43 MET H H 43 8.366 8.141 0.225 1
1 407 . 11 1 1 A 43 43 MET CA C 43 53.424 53.310 0.114 1
1 408 . 11 1 1 A 43 43 MET HA H 43 4.102 5.078 -0.976 1
1 409 . 11 1 1 A 43 43 MET CB C 43 35.572 34.254 1.318 1
1 417 . 11 1 1 A 43 43 MET C C 43 173.140 174.225 -1.085 1
1 420 . 11 1 1 A 44 44 LEU N N 44 128.038 125.391 2.647 1
1 421 . 11 1 1 A 44 44 LEU H H 44 8.300 8.705 -0.405 1
1 422 . 11 1 1 A 44 44 LEU CA C 44 53.806 53.450 0.356 1
1 423 . 11 1 1 A 44 44 LEU HA H 44 5.331 5.135 0.196 1
1 424 . 11 1 1 A 44 44 LEU CB C 44 43.598 44.132 -0.534 1
1 436 . 11 1 1 A 44 44 LEU C C 44 175.236 175.701 -0.465 1
1 438 . 11 1 1 A 45 45 LEU N N 45 126.999 122.084 4.915 1
1 439 . 11 1 1 A 45 45 LEU H H 45 9.109 9.003 0.106 1
1 440 . 11 1 1 A 45 45 LEU CA C 45 54.800 52.546 2.254 1
1 441 . 11 1 1 A 45 45 LEU HA H 45 5.135 5.271 -0.136 1
1 442 . 11 1 1 A 45 45 LEU CB C 45 45.499 45.592 -0.093 1
1 454 . 11 1 1 A 45 45 LEU C C 45 175.167 175.658 -0.491 1
1 456 . 11 1 1 A 46 46 ILE N N 46 118.172 119.834 -1.662 1
1 457 . 11 1 1 A 46 46 ILE H H 46 7.966 8.681 -0.715 1
1 458 . 11 1 1 A 46 46 ILE CA C 46 58.091 59.549 -1.458 1
1 459 . 11 1 1 A 46 46 ILE HA H 46 5.412 5.060 0.352 1
1 460 . 11 1 1 A 46 46 ILE CB C 46 41.988 42.104 -0.116 1
1 472 . 11 1 1 A 46 46 ILE C C 46 174.748 175.540 -0.792 1
1 474 . 11 1 1 A 47 47 GLY N N 47 110.148 115.622 -5.474 1
1 475 . 11 1 1 A 47 47 GLY H H 47 8.554 8.501 0.053 1
1 476 . 11 1 1 A 47 47 GLY CA C 47 46.136 46.090 0.046 1
1 477 . 11 1 1 A 47 47 GLY HA3 H 47 4.604 4.274 0.330 1
1 478 . 11 1 1 A 47 47 GLY C C 47 171.583 173.577 -1.994 1
1 479 . 11 1 1 A 47 47 GLY HA2 H 47 3.933 4.259 -0.326 1
1 480 . 11 1 1 A 48 48 VAL N N 48 120.434 118.262 2.172 1
1 481 . 11 1 1 A 48 48 VAL H H 48 9.048 7.650 1.398 1
1 482 . 11 1 1 A 48 48 VAL CA C 48 61.060 62.448 -1.388 1
1 483 . 11 1 1 A 48 48 VAL HA H 48 5.143 4.127 1.016 1
1 484 . 11 1 1 A 48 48 VAL CB C 48 34.976 32.068 2.908 1
1 494 . 11 1 1 A 48 48 VAL C C 48 175.260 175.820 -0.560 1
1 495 . 11 1 1 A 49 49 HIS N N 49 127.718 126.217 1.501 1
1 496 . 11 1 1 A 49 49 HIS H H 49 9.556 8.877 0.679 1
1 497 . 11 1 1 A 49 49 HIS CA C 49 55.342 56.181 -0.839 1
1 498 . 11 1 1 A 49 49 HIS HA H 49 4.987 4.748 0.239 1
1 499 . 11 1 1 A 49 49 HIS CB C 49 34.476 30.878 3.598 1
1 505 . 11 1 1 A 49 49 HIS C C 49 173.822 175.423 -1.601 1
1 507 . 11 1 1 A 50 50 GLY N N 50 115.577 111.620 3.957 1
1 508 . 11 1 1 A 50 50 GLY H H 50 8.192 8.666 -0.474 1
1 509 . 11 1 1 A 50 50 GLY CA C 50 44.693 46.279 -1.586 1
1 510 . 11 1 1 A 50 50 GLY HA3 H 50 3.247 4.428 -1.181 1
1 511 . 11 1 1 A 50 50 GLY C C 50 171.437 173.996 -2.559 1
1 512 . 11 1 1 A 50 50 GLY HA2 H 50 3.722 4.417 -0.695 1
1 513 . 11 1 1 A 51 51 PRO CA C 51 64.376 65.034 -0.658 1
1 514 . 11 1 1 A 51 51 PRO HA H 51 4.104 4.343 -0.239 1
1 515 . 11 1 1 A 51 51 PRO CB C 51 32.141 32.132 0.009 1
1 521 . 11 1 1 A 51 51 PRO C C 51 177.607 178.043 -0.436 1
1 525 . 11 1 1 A 52 52 THR N N 52 109.088 108.432 0.656 1
1 526 . 11 1 1 A 52 52 THR H H 52 8.447 7.918 0.529 1
1 527 . 11 1 1 A 52 52 THR CA C 52 62.861 62.382 0.479 1
1 528 . 11 1 1 A 52 52 THR HA H 52 4.424 4.536 -0.112 1
1 529 . 11 1 1 A 52 52 THR CB C 52 70.329 69.953 0.376 1
1 535 . 11 1 1 A 52 52 THR C C 52 174.926 174.557 0.369 1
1 536 . 11 1 1 A 53 53 THR N N 53 118.915 112.967 5.948 1
1 537 . 11 1 1 A 53 53 THR H H 53 7.983 7.778 0.205 1
1 538 . 11 1 1 A 53 53 THR CA C 53 59.878 58.829 1.049 1
1 539 . 11 1 1 A 53 53 THR HA H 53 4.751 4.691 0.060 1
1 540 . 11 1 1 A 53 53 THR CB C 53 71.034 69.665 1.369 1
1 546 . 11 1 1 A 53 53 THR C C 53 172.019 172.978 -0.959 1
1 547 . 11 1 1 A 54 54 PRO CA C 54 62.614 62.295 0.319 1
1 548 . 11 1 1 A 54 54 PRO HA H 54 4.629 4.636 -0.007 1
1 549 . 11 1 1 A 54 54 PRO CB C 54 32.845 32.774 0.071 1
1 555 . 11 1 1 A 54 54 PRO C C 54 177.751 176.594 1.157 1
1 559 . 11 1 1 A 55 55 CYS N N 55 121.538 119.110 2.428 1
1 560 . 11 1 1 A 55 55 CYS H H 55 8.938 8.294 0.644 1
1 561 . 11 1 1 A 55 55 CYS CA C 55 60.342 57.586 2.756 1
1 562 . 11 1 1 A 55 55 CYS HA H 55 4.563 4.735 -0.172 1
1 563 . 11 1 1 A 55 55 CYS CB C 55 27.534 29.832 -2.298 1
1 565 . 11 1 1 A 55 55 CYS C C 55 174.437 175.924 -1.487 1
1 567 . 11 1 1 A 56 56 GLU N N 56 124.530 123.491 1.039 1
1 568 . 11 1 1 A 56 56 GLU H H 56 8.450 8.871 -0.421 1
1 569 . 11 1 1 A 56 56 GLU CA C 56 59.363 59.254 0.109 1
1 570 . 11 1 1 A 56 56 GLU HA H 56 4.471 4.237 0.234 1
1 571 . 11 1 1 A 56 56 GLU CB C 56 31.217 30.614 0.603 1
1 575 . 11 1 1 A 56 56 GLU C C 56 176.847 176.631 0.216 1
1 578 . 11 1 1 A 57 57 GLU N N 57 114.661 114.158 0.503 1
1 579 . 11 1 1 A 57 57 GLU H H 57 7.478 7.773 -0.295 1
1 580 . 11 1 1 A 57 57 GLU CA C 57 55.551 55.480 0.071 1
1 581 . 11 1 1 A 57 57 GLU HA H 57 5.414 4.698 0.716 1
1 582 . 11 1 1 A 57 57 GLU CB C 57 34.084 31.687 2.397 1
1 586 . 11 1 1 A 57 57 GLU C C 57 174.400 173.728 0.672 1
1 589 . 11 1 1 A 58 58 VAL N N 58 123.611 119.816 3.795 1
1 590 . 11 1 1 A 58 58 VAL H H 58 8.605 8.413 0.192 1
1 591 . 11 1 1 A 58 58 VAL CA C 58 62.048 61.414 0.634 1
1 592 . 11 1 1 A 58 58 VAL HA H 58 4.941 5.076 -0.135 1
1 593 . 11 1 1 A 58 58 VAL CB C 58 35.700 34.947 0.753 1
1 603 . 11 1 1 A 58 58 VAL C C 58 174.426 174.206 0.220 1
1 604 . 11 1 1 A 59 59 SER N N 59 121.592 123.305 -1.713 1
1 605 . 11 1 1 A 59 59 SER H H 59 9.635 9.144 0.491 1
1 606 . 11 1 1 A 59 59 SER CA C 59 57.012 56.663 0.349 1
1 607 . 11 1 1 A 59 59 SER HA H 59 5.526 5.061 0.465 1
1 608 . 11 1 1 A 59 59 SER CB C 59 65.896 64.229 1.667 1
1 610 . 11 1 1 A 59 59 SER C C 59 172.465 173.070 -0.605 1
1 612 . 11 1 1 A 60 60 MET N N 60 122.508 127.027 -4.519 1
1 613 . 11 1 1 A 60 60 MET H H 60 9.435 9.094 0.341 1
1 614 . 11 1 1 A 60 60 MET CA C 60 54.541 53.535 1.006 1
1 615 . 11 1 1 A 60 60 MET HA H 60 5.352 5.651 -0.299 1
1 616 . 11 1 1 A 60 60 MET CB C 60 37.420 34.234 3.186 1
1 624 . 11 1 1 A 60 60 MET C C 60 174.616 175.430 -0.814 1
1 627 . 11 1 1 A 61 61 LYS N N 61 125.580 125.318 0.262 1
1 628 . 11 1 1 A 61 61 LYS H H 61 8.963 9.242 -0.279 1
1 629 . 11 1 1 A 61 61 LYS CA C 61 54.688 54.975 -0.287 1
1 630 . 11 1 1 A 61 61 LYS HA H 61 5.396 5.087 0.309 1
1 631 . 11 1 1 A 61 61 LYS CB C 61 36.412 36.140 0.272 1
1 639 . 11 1 1 A 61 61 LYS C C 61 175.548 174.353 1.195 1
1 644 . 11 1 1 A 62 62 HIS N N 62 125.822 126.108 -0.286 1
1 645 . 11 1 1 A 62 62 HIS H H 62 8.967 8.894 0.073 1
1 646 . 11 1 1 A 62 62 HIS CA C 62 55.674 53.748 1.926 1
1 647 . 11 1 1 A 62 62 HIS HA H 62 4.621 4.750 -0.129 1
1 648 . 11 1 1 A 62 62 HIS CB C 62 29.732 28.943 0.789 1
1 654 . 11 1 1 A 62 62 HIS C C 62 175.912 175.004 0.908 1
1 656 . 11 1 1 A 63 63 VAL N N 63 124.131 123.860 0.271 1
1 657 . 11 1 1 A 63 63 VAL H H 63 8.633 8.081 0.552 1
1 658 . 11 1 1 A 63 63 VAL CA C 63 61.288 64.368 -3.080 1
1 659 . 11 1 1 A 63 63 VAL HA H 63 4.299 3.672 0.627 1
1 660 . 11 1 1 A 63 63 VAL CB C 63 30.964 32.321 -1.357 1
1 670 . 11 1 1 A 63 63 VAL C C 63 175.339 175.432 -0.093 1
1 671 . 11 1 1 A 64 64 GLY N N 64 108.087 109.715 -1.628 1
1 672 . 11 1 1 A 64 64 GLY H H 64 5.406 6.817 -1.411 1
1 673 . 11 1 1 A 64 64 GLY CA C 64 44.979 43.329 1.650 1
1 674 . 11 1 1 A 64 64 GLY HA3 H 64 3.118 3.787 -0.669 1
1 675 . 11 1 1 A 64 64 GLY C C 64 174.125 173.932 0.193 1
1 676 . 11 1 1 A 64 64 GLY HA2 H 64 4.287 3.206 1.081 1
1 677 . 11 1 1 A 65 65 ASN N N 65 118.292 117.118 1.174 1
1 678 . 11 1 1 A 65 65 ASN H H 65 9.260 9.224 0.036 1
1 679 . 11 1 1 A 65 65 ASN CA C 65 54.643 54.529 0.114 1
1 680 . 11 1 1 A 65 65 ASN HA H 65 4.401 4.354 0.047 1
1 681 . 11 1 1 A 65 65 ASN CB C 65 37.695 36.956 0.739 1
1 686 . 11 1 1 A 65 65 ASN C C 65 174.079 174.667 -0.588 1
1 688 . 11 1 1 A 66 66 GLN N N 66 111.325 108.983 2.342 1
1 689 . 11 1 1 A 66 66 GLN H H 66 10.512 8.499 2.013 1
1 690 . 11 1 1 A 66 66 GLN CA C 66 57.009 57.120 -0.111 1
1 691 . 11 1 1 A 66 66 GLN HA H 66 3.713 3.894 -0.181 1
1 692 . 11 1 1 A 66 66 GLN CB C 66 24.986 26.563 -1.577 1
1 699 . 11 1 1 A 66 66 GLN C C 66 173.896 174.194 -0.298 1
1 702 . 11 1 1 A 67 67 GLN N N 67 115.692 116.655 -0.963 1
1 703 . 11 1 1 A 67 67 GLN H H 67 7.492 7.667 -0.175 1
1 704 . 11 1 1 A 67 67 GLN CA C 67 54.496 54.417 0.079 1
1 705 . 11 1 1 A 67 67 GLN HA H 67 5.400 4.960 0.440 1
1 706 . 11 1 1 A 67 67 GLN CB C 67 29.896 31.153 -1.257 1
1 713 . 11 1 1 A 67 67 GLN C C 67 175.043 174.189 0.854 1
1 716 . 11 1 1 A 68 68 TYR N N 68 121.249 121.237 0.012 1
1 717 . 11 1 1 A 68 68 TYR H H 68 9.573 8.733 0.840 1
1 718 . 11 1 1 A 68 68 TYR CA C 68 56.443 56.603 -0.160 1
1 719 . 11 1 1 A 68 68 TYR HA H 68 5.417 5.348 0.069 1
1 720 . 11 1 1 A 68 68 TYR CB C 68 41.249 40.464 0.785 1
1 730 . 11 1 1 A 68 68 TYR C C 68 174.846 174.480 0.366 1
1 732 . 11 1 1 A 69 69 ASN N N 69 122.429 123.884 -1.455 1
1 733 . 11 1 1 A 69 69 ASN H H 69 9.354 9.428 -0.074 1
1 734 . 11 1 1 A 69 69 ASN CA C 69 52.454 52.931 -0.477 1
1 735 . 11 1 1 A 69 69 ASN HA H 69 5.260 4.843 0.417 1
1 736 . 11 1 1 A 69 69 ASN CB C 69 40.922 39.688 1.234 1
1 741 . 11 1 1 A 69 69 ASN C C 69 174.835 174.205 0.630 1
1 743 . 11 1 1 A 70 70 VAL N N 70 131.599 126.271 5.328 1
1 744 . 11 1 1 A 70 70 VAL H H 70 9.157 8.201 0.956 1
1 745 . 11 1 1 A 70 70 VAL CA C 70 60.900 60.572 0.328 1
1 746 . 11 1 1 A 70 70 VAL HA H 70 4.910 5.197 -0.287 1
1 747 . 11 1 1 A 70 70 VAL CB C 70 31.882 33.802 -1.920 1
1 757 . 11 1 1 A 70 70 VAL C C 70 174.368 174.283 0.085 1
1 758 . 11 1 1 A 71 71 THR N N 71 119.213 121.066 -1.853 1
1 759 . 11 1 1 A 71 71 THR H H 71 8.996 8.502 0.494 1
1 760 . 11 1 1 A 71 71 THR CA C 71 59.796 61.059 -1.263 1
1 761 . 11 1 1 A 71 71 THR HA H 71 5.614 4.983 0.631 1
1 762 . 11 1 1 A 71 71 THR CB C 71 72.339 71.643 0.696 1
1 768 . 11 1 1 A 71 71 THR C C 71 173.260 173.217 0.043 1
1 769 . 11 1 1 A 72 72 TYR N N 72 121.105 121.308 -0.203 1
1 770 . 11 1 1 A 72 72 TYR H H 72 9.200 8.445 0.755 1
1 771 . 11 1 1 A 72 72 TYR CA C 72 56.112 55.502 0.610 1
1 772 . 11 1 1 A 72 72 TYR HA H 72 5.600 5.687 -0.087 1
1 773 . 11 1 1 A 72 72 TYR CB C 72 41.878 41.884 -0.006 1
1 783 . 11 1 1 A 72 72 TYR C C 72 173.176 173.161 0.015 1
1 785 . 11 1 1 A 73 73 VAL N N 73 118.799 119.586 -0.787 1
1 786 . 11 1 1 A 73 73 VAL H H 73 8.214 8.703 -0.489 1
1 787 . 11 1 1 A 73 73 VAL CA C 73 61.111 61.115 -0.004 1
1 788 . 11 1 1 A 73 73 VAL HA H 73 4.514 4.873 -0.359 1
1 789 . 11 1 1 A 73 73 VAL CB C 73 35.729 35.852 -0.123 1
1 799 . 11 1 1 A 73 73 VAL C C 73 175.529 174.817 0.712 1
1 800 . 11 1 1 A 74 74 VAL N N 74 121.061 122.446 -1.385 1
1 801 . 11 1 1 A 74 74 VAL H H 74 8.947 9.068 -0.121 1
1 802 . 11 1 1 A 74 74 VAL CA C 74 59.858 60.388 -0.530 1
1 803 . 11 1 1 A 74 74 VAL HA H 74 4.785 4.929 -0.144 1
1 804 . 11 1 1 A 74 74 VAL CB C 74 32.795 34.080 -1.285 1
1 814 . 11 1 1 A 74 74 VAL C C 74 176.022 174.862 1.160 1
1 815 . 11 1 1 A 75 75 LYS N N 75 120.273 127.347 -7.074 1
1 816 . 11 1 1 A 75 75 LYS H H 75 9.404 9.097 0.307 1
1 817 . 11 1 1 A 75 75 LYS CA C 75 55.705 56.180 -0.475 1
1 818 . 11 1 1 A 75 75 LYS HA H 75 4.653 4.593 0.060 1
1 819 . 11 1 1 A 75 75 LYS CB C 75 34.767 32.863 1.904 1
1 827 . 11 1 1 A 75 75 LYS C C 75 175.025 175.787 -0.762 1
1 832 . 11 1 1 A 76 76 GLU N N 76 117.540 119.784 -2.244 1
1 833 . 11 1 1 A 76 76 GLU H H 76 7.224 7.784 -0.560 1
1 834 . 11 1 1 A 76 76 GLU CA C 76 54.893 55.657 -0.764 1
1 835 . 11 1 1 A 76 76 GLU HA H 76 4.747 4.844 -0.097 1
1 836 . 11 1 1 A 76 76 GLU CB C 76 33.199 33.213 -0.014 1
1 840 . 11 1 1 A 76 76 GLU C C 76 175.664 174.502 1.162 1
1 843 . 11 1 1 A 77 77 ARG N N 77 125.564 121.807 3.757 1
1 844 . 11 1 1 A 77 77 ARG H H 77 8.906 8.635 0.271 1
1 845 . 11 1 1 A 77 77 ARG CA C 77 56.610 54.370 2.240 1
1 846 . 11 1 1 A 77 77 ARG HA H 77 4.234 5.194 -0.960 1
1 847 . 11 1 1 A 77 77 ARG CB C 77 31.036 33.648 -2.612 1
1 855 . 11 1 1 A 77 77 ARG C C 77 174.779 174.977 -0.198 1
1 859 . 11 1 1 A 78 78 GLY N N 78 108.773 106.695 2.078 1
1 860 . 11 1 1 A 78 78 GLY H H 78 8.928 8.470 0.458 1
1 861 . 11 1 1 A 78 78 GLY CA C 78 44.418 45.325 -0.907 1
1 862 . 11 1 1 A 78 78 GLY HA3 H 78 3.770 4.247 -0.477 1
1 863 . 11 1 1 A 78 78 GLY C C 78 171.452 171.582 -0.130 1
1 864 . 11 1 1 A 78 78 GLY HA2 H 78 4.467 4.196 0.271 1
1 865 . 11 1 1 A 79 79 ASP N N 79 120.109 121.251 -1.142 1
1 866 . 11 1 1 A 79 79 ASP H H 79 8.070 8.440 -0.370 1
1 867 . 11 1 1 A 79 79 ASP CA C 79 54.204 54.063 0.141 1
1 868 . 11 1 1 A 79 79 ASP HA H 79 5.344 5.030 0.314 1
1 869 . 11 1 1 A 79 79 ASP CB C 79 42.148 40.645 1.503 1
1 871 . 11 1 1 A 79 79 ASP C C 79 175.474 175.202 0.272 1
1 873 . 11 1 1 A 80 80 TYR N N 80 121.969 124.822 -2.853 1
1 874 . 11 1 1 A 80 80 TYR H H 80 9.412 9.259 0.153 1
1 875 . 11 1 1 A 80 80 TYR CA C 80 56.872 57.837 -0.965 1
1 876 . 11 1 1 A 80 80 TYR HA H 80 4.821 4.949 -0.128 1
1 877 . 11 1 1 A 80 80 TYR CB C 80 41.557 40.231 1.326 1
1 887 . 11 1 1 A 80 80 TYR C C 80 175.552 175.917 -0.365 1
1 889 . 11 1 1 A 81 81 VAL N N 81 121.669 120.039 1.630 1
1 890 . 11 1 1 A 81 81 VAL H H 81 8.688 8.760 -0.072 1
1 891 . 11 1 1 A 81 81 VAL CA C 81 61.217 61.250 -0.033 1
1 892 . 11 1 1 A 81 81 VAL HA H 81 4.606 4.891 -0.285 1
1 893 . 11 1 1 A 81 81 VAL CB C 81 33.990 34.874 -0.884 1
1 903 . 11 1 1 A 81 81 VAL C C 81 173.568 174.404 -0.836 1
1 904 . 11 1 1 A 82 82 LEU N N 82 129.806 130.423 -0.617 1
1 905 . 11 1 1 A 82 82 LEU H H 82 8.873 8.942 -0.069 1
1 906 . 11 1 1 A 82 82 LEU CA C 82 53.321 53.788 -0.467 1
1 907 . 11 1 1 A 82 82 LEU HA H 82 5.150 5.106 0.044 1
1 908 . 11 1 1 A 82 82 LEU CB C 82 44.594 44.449 0.145 1
1 920 . 11 1 1 A 82 82 LEU C C 82 174.427 174.794 -0.367 1
1 922 . 11 1 1 A 83 83 ALA N N 83 128.482 130.110 -1.628 1
1 923 . 11 1 1 A 83 83 ALA H H 83 9.294 9.108 0.186 1
1 924 . 11 1 1 A 83 83 ALA CA C 83 50.133 50.416 -0.283 1
1 925 . 11 1 1 A 83 83 ALA HA H 83 5.081 5.165 -0.084 1
1 926 . 11 1 1 A 83 83 ALA CB C 83 21.500 20.463 1.037 1
1 930 . 11 1 1 A 83 83 ALA C C 83 174.991 175.836 -0.845 1
1 931 . 11 1 1 A 84 84 VAL N N 84 121.691 123.886 -2.195 1
1 932 . 11 1 1 A 84 84 VAL H H 84 9.222 9.165 0.057 1
1 933 . 11 1 1 A 84 84 VAL CA C 84 61.324 61.207 0.117 1
1 934 . 11 1 1 A 84 84 VAL HA H 84 4.785 4.842 -0.057 1
1 935 . 11 1 1 A 84 84 VAL CB C 84 34.116 33.606 0.510 1
1 945 . 11 1 1 A 84 84 VAL C C 84 174.156 174.999 -0.843 1
1 946 . 11 1 1 A 85 85 LYS N N 85 124.020 126.223 -2.203 1
1 947 . 11 1 1 A 85 85 LYS H H 85 9.193 8.506 0.687 1
1 948 . 11 1 1 A 85 85 LYS CA C 85 54.222 54.342 -0.120 1
1 949 . 11 1 1 A 85 85 LYS HA H 85 4.958 5.139 -0.181 1
1 950 . 11 1 1 A 85 85 LYS CB C 85 34.814 35.501 -0.687 1
1 958 . 11 1 1 A 85 85 LYS C C 85 173.704 175.182 -1.478 1
1 963 . 11 1 1 A 86 86 TRP N N 86 123.429 124.824 -1.395 1
1 964 . 11 1 1 A 86 86 TRP H H 86 8.623 9.159 -0.536 1
1 965 . 11 1 1 A 86 86 TRP CA C 86 53.803 56.499 -2.696 1
1 966 . 11 1 1 A 86 86 TRP HA H 86 5.583 4.909 0.674 1
1 967 . 11 1 1 A 86 86 TRP CB C 86 32.084 31.081 1.003 1
1 981 . 11 1 1 A 86 86 TRP C C 86 176.916 175.723 1.193 1
1 983 . 11 1 1 A 87 87 GLY N N 87 116.722 114.994 1.728 1
1 984 . 11 1 1 A 87 87 GLY H H 87 8.782 8.930 -0.148 1
1 985 . 11 1 1 A 87 87 GLY CA C 87 46.432 46.841 -0.409 1
1 986 . 11 1 1 A 87 87 GLY HA3 H 87 3.152 3.623 -0.471 1
1 987 . 11 1 1 A 87 87 GLY C C 87 173.838 174.069 -0.231 1
1 988 . 11 1 1 A 87 87 GLY HA2 H 87 3.732 3.383 0.349 1
1 989 . 11 1 1 A 88 88 GLU N N 88 122.405 110.469 11.936 1
1 990 . 11 1 1 A 88 88 GLU H H 88 8.592 8.443 0.149 1
1 991 . 11 1 1 A 88 88 GLU CA C 88 56.004 57.624 -1.620 1
1 992 . 11 1 1 A 88 88 GLU HA H 88 4.057 3.862 0.195 1
1 993 . 11 1 1 A 88 88 GLU CB C 88 29.764 27.240 2.524 1
1 997 . 11 1 1 A 88 88 GLU C C 88 176.465 174.795 1.670 1
1 1000 . 11 1 1 A 89 89 GLU N N 89 117.358 117.329 0.029 1
1 1001 . 11 1 1 A 89 89 GLU H H 89 7.226 7.604 -0.378 1
1 1002 . 11 1 1 A 89 89 GLU CA C 89 54.921 54.854 0.067 1
1 1003 . 11 1 1 A 89 89 GLU HA H 89 4.580 5.106 -0.526 1
1 1004 . 11 1 1 A 89 89 GLU CB C 89 33.160 34.478 -1.318 1
1 1008 . 11 1 1 A 89 89 GLU C C 89 175.674 174.943 0.731 1
1 1011 . 11 1 1 A 90 90 HIS N N 90 122.210 116.308 5.902 1
1 1012 . 11 1 1 A 90 90 HIS H H 90 8.603 8.845 -0.242 1
1 1013 . 11 1 1 A 90 90 HIS CA C 90 58.321 54.540 3.781 1
1 1014 . 11 1 1 A 90 90 HIS HA H 90 4.343 5.125 -0.782 1
1 1015 . 11 1 1 A 90 90 HIS CB C 90 32.786 32.090 0.696 1
1 1021 . 11 1 1 A 90 90 HIS C C 90 177.001 175.287 1.714 1
1 1023 . 11 1 1 A 91 91 ILE N N 91 117.760 122.331 -4.571 1
1 1024 . 11 1 1 A 91 91 ILE H H 91 8.289 8.127 0.162 1
1 1025 . 11 1 1 A 91 91 ILE CA C 91 61.019 60.251 0.768 1
1 1026 . 11 1 1 A 91 91 ILE HA H 91 4.482 4.286 0.196 1
1 1027 . 11 1 1 A 91 91 ILE CB C 91 35.655 37.759 -2.104 1
1 1039 . 11 1 1 A 91 91 ILE C C 91 173.231 175.532 -2.301 1
1 1041 . 11 1 1 A 92 92 PRO CA C 92 65.378 63.649 1.729 1
1 1042 . 11 1 1 A 92 92 PRO HA H 92 4.207 4.327 -0.120 1
1 1043 . 11 1 1 A 92 92 PRO CB C 92 31.301 31.192 0.109 1
1 1049 . 11 1 1 A 92 92 PRO C C 92 177.559 177.447 0.112 1
1 1053 . 11 1 1 A 93 93 GLY N N 93 115.174 113.251 1.923 1
1 1054 . 11 1 1 A 93 93 GLY H H 93 8.291 8.750 -0.459 1
1 1055 . 11 1 1 A 93 93 GLY CA C 93 44.729 44.788 -0.059 1
1 1056 . 11 1 1 A 93 93 GLY HA3 H 93 3.122 3.704 -0.582 1
1 1057 . 11 1 1 A 93 93 GLY C C 93 171.695 173.562 -1.867 1
1 1058 . 11 1 1 A 93 93 GLY HA2 H 93 4.116 3.648 0.468 1
1 1059 . 11 1 1 A 94 94 SER N N 94 112.948 117.103 -4.155 1
1 1060 . 11 1 1 A 94 94 SER H H 94 7.612 7.475 0.137 1
1 1061 . 11 1 1 A 94 94 SER CA C 94 54.585 55.409 -0.824 1
1 1062 . 11 1 1 A 94 94 SER HA H 94 4.002 4.608 -0.606 1
1 1063 . 11 1 1 A 94 94 SER CB C 94 62.348 64.493 -2.145 1
1 1065 . 11 1 1 A 94 94 SER C C 94 174.321 172.730 1.591 1
1 1067 . 11 1 1 A 95 95 PRO CA C 95 62.338 62.719 -0.381 1
1 1068 . 11 1 1 A 95 95 PRO HA H 95 5.296 4.842 0.454 1
1 1069 . 11 1 1 A 95 95 PRO CB C 95 33.730 32.790 0.940 1
1 1075 . 11 1 1 A 95 95 PRO C C 95 175.728 176.795 -1.067 1
1 1079 . 11 1 1 A 96 96 PHE N N 96 124.415 121.203 3.212 1
1 1080 . 11 1 1 A 96 96 PHE H H 96 9.643 8.706 0.937 1
1 1081 . 11 1 1 A 96 96 PHE CA C 96 57.405 57.526 -0.121 1
1 1082 . 11 1 1 A 96 96 PHE HA H 96 4.474 4.898 -0.424 1
1 1083 . 11 1 1 A 96 96 PHE CB C 96 40.160 40.015 0.145 1
1 1095 . 11 1 1 A 96 96 PHE C C 96 175.736 175.370 0.366 1
1 1097 . 11 1 1 A 97 97 HIS N N 97 121.364 122.187 -0.823 1
1 1098 . 11 1 1 A 97 97 HIS H H 97 8.898 8.911 -0.013 1
1 1099 . 11 1 1 A 97 97 HIS CA C 97 55.214 54.779 0.435 1
1 1100 . 11 1 1 A 97 97 HIS HA H 97 5.124 5.024 0.100 1
1 1101 . 11 1 1 A 97 97 HIS CB C 97 29.981 31.351 -1.370 1
1 1107 . 11 1 1 A 97 97 HIS C C 97 173.895 173.481 0.414 1
1 1109 . 11 1 1 A 98 98 VAL N N 98 127.912 128.808 -0.896 1
1 1110 . 11 1 1 A 98 98 VAL H H 98 8.582 8.768 -0.186 1
1 1111 . 11 1 1 A 98 98 VAL CA C 98 61.467 61.188 0.279 1
1 1112 . 11 1 1 A 98 98 VAL HA H 98 4.096 4.746 -0.650 1
1 1113 . 11 1 1 A 98 98 VAL CB C 98 35.455 33.044 2.411 1
1 1123 . 11 1 1 A 98 98 VAL C C 98 174.874 174.833 0.041 1
1 1124 . 11 1 1 A 99 99 THR N N 99 123.090 123.115 -0.025 1
1 1125 . 11 1 1 A 99 99 THR H H 99 8.117 8.701 -0.584 1
1 1126 . 11 1 1 A 99 99 THR CA C 99 62.031 61.681 0.350 1
1 1127 . 11 1 1 A 99 99 THR HA H 99 4.852 4.824 0.028 1
1 1128 . 11 1 1 A 99 99 THR CB C 99 70.661 70.253 0.408 1
1 1134 . 11 1 1 A 99 99 THR C C 99 173.264 173.826 -0.562 1
1 1135 . 11 1 1 A 100 100 VAL N N 100 129.827 126.421 3.406 1
1 1136 . 11 1 1 A 100 100 VAL H H 100 8.812 8.647 0.165 1
1 1137 . 11 1 1 A 100 100 VAL CA C 100 58.577 58.609 -0.032 1
1 1138 . 11 1 1 A 100 100 VAL HA H 100 5.053 4.631 0.422 1
1 1139 . 11 1 1 A 100 100 VAL CB C 100 33.365 34.672 -1.307 1
1 1149 . 11 1 1 A 100 100 VAL C C 100 174.927 174.099 0.828 1
1 1 . 12 1 1 A 6 6 SER CA C 6 58.666 61.286 -2.620 1
1 2 . 12 1 1 A 6 6 SER HA H 6 4.514 4.181 0.333 1
1 3 . 12 1 1 A 6 6 SER CB C 6 63.933 62.276 1.657 1
1 5 . 12 1 1 A 6 6 SER C C 6 175.074 176.654 -1.580 1
1 7 . 12 1 1 A 7 7 GLY N N 7 110.792 110.260 0.532 1
1 8 . 12 1 1 A 7 7 GLY H H 7 8.450 8.168 0.282 1
1 9 . 12 1 1 A 7 7 GLY CA C 7 45.406 44.486 0.920 1
1 10 . 12 1 1 A 7 7 GLY HA3 H 7 4.052 4.072 -0.020 1
1 11 . 12 1 1 A 7 7 GLY C C 7 174.270 174.608 -0.338 1
1 12 . 12 1 1 A 7 7 GLY HA2 H 7 4.052 4.062 -0.010 1
1 13 . 12 1 1 A 8 8 SER N N 8 115.558 113.868 1.690 1
1 14 . 12 1 1 A 8 8 SER H H 8 8.274 8.702 -0.428 1
1 15 . 12 1 1 A 8 8 SER CA C 8 58.332 59.022 -0.690 1
1 16 . 12 1 1 A 8 8 SER HA H 8 4.557 4.040 0.517 1
1 17 . 12 1 1 A 8 8 SER CB C 8 63.930 61.238 2.692 1
1 19 . 12 1 1 A 8 8 SER C C 8 174.064 173.650 0.414 1
1 21 . 12 1 1 A 9 9 SER N N 9 116.801 115.650 1.151 1
1 22 . 12 1 1 A 9 9 SER H H 9 8.227 7.787 0.440 1
1 23 . 12 1 1 A 9 9 SER CA C 9 58.075 59.839 -1.764 1
1 24 . 12 1 1 A 9 9 SER HA H 9 5.001 4.547 0.454 1
1 25 . 12 1 1 A 9 9 SER CB C 9 64.491 64.097 0.394 1
1 27 . 12 1 1 A 9 9 SER C C 9 174.318 173.311 1.007 1
1 29 . 12 1 1 A 10 10 ASP N N 10 122.324 124.692 -2.368 1
1 30 . 12 1 1 A 10 10 ASP H H 10 8.262 8.252 0.010 1
1 31 . 12 1 1 A 10 10 ASP CA C 10 53.833 53.177 0.656 1
1 32 . 12 1 1 A 10 10 ASP HA H 10 4.892 5.227 -0.335 1
1 33 . 12 1 1 A 10 10 ASP CB C 10 41.497 43.458 -1.961 1
1 35 . 12 1 1 A 10 10 ASP C C 10 176.306 176.735 -0.429 1
1 37 . 12 1 1 A 11 11 ALA N N 11 126.255 129.062 -2.807 1
1 38 . 12 1 1 A 11 11 ALA H H 11 9.091 8.799 0.292 1
1 39 . 12 1 1 A 11 11 ALA CA C 11 54.713 54.781 -0.068 1
1 40 . 12 1 1 A 11 11 ALA HA H 11 4.056 4.171 -0.115 1
1 41 . 12 1 1 A 11 11 ALA CB C 11 20.177 18.931 1.246 1
1 45 . 12 1 1 A 11 11 ALA C C 11 177.950 179.659 -1.709 1
1 46 . 12 1 1 A 12 12 SER N N 12 110.658 113.924 -3.266 1
1 47 . 12 1 1 A 12 12 SER H H 12 8.224 8.049 0.175 1
1 48 . 12 1 1 A 12 12 SER CA C 12 60.857 61.502 -0.645 1
1 49 . 12 1 1 A 12 12 SER HA H 12 4.240 4.234 0.006 1
1 50 . 12 1 1 A 12 12 SER CB C 12 62.964 63.115 -0.151 1
1 52 . 12 1 1 A 12 12 SER C C 12 175.312 175.977 -0.665 1
1 54 . 12 1 1 A 13 13 LYS N N 13 119.063 118.247 0.816 1
1 55 . 12 1 1 A 13 13 LYS H H 13 7.349 7.793 -0.444 1
1 56 . 12 1 1 A 13 13 LYS CA C 13 54.948 57.802 -2.854 1
1 57 . 12 1 1 A 13 13 LYS HA H 13 4.293 4.341 -0.048 1
1 58 . 12 1 1 A 13 13 LYS CB C 13 33.037 32.989 0.048 1
1 66 . 12 1 1 A 13 13 LYS C C 13 177.263 177.522 -0.259 1
1 71 . 12 1 1 A 14 14 VAL N N 14 124.317 120.425 3.892 1
1 72 . 12 1 1 A 14 14 VAL H H 14 7.500 7.313 0.187 1
1 73 . 12 1 1 A 14 14 VAL CA C 14 63.797 62.840 0.957 1
1 74 . 12 1 1 A 14 14 VAL HA H 14 3.870 3.800 0.070 1
1 75 . 12 1 1 A 14 14 VAL CB C 14 31.996 31.366 0.630 1
1 85 . 12 1 1 A 14 14 VAL C C 14 175.873 175.312 0.561 1
1 86 . 12 1 1 A 15 15 THR N N 15 117.704 118.884 -1.180 1
1 87 . 12 1 1 A 15 15 THR H H 15 8.197 8.456 -0.259 1
1 88 . 12 1 1 A 15 15 THR CA C 15 59.805 59.421 0.384 1
1 89 . 12 1 1 A 15 15 THR HA H 15 4.911 5.239 -0.328 1
1 90 . 12 1 1 A 15 15 THR CB C 15 71.373 71.717 -0.344 1
1 96 . 12 1 1 A 15 15 THR C C 15 172.695 173.995 -1.300 1
1 97 . 12 1 1 A 16 16 SER N N 16 113.256 116.507 -3.251 1
1 98 . 12 1 1 A 16 16 SER H H 16 8.442 9.140 -0.698 1
1 99 . 12 1 1 A 16 16 SER CA C 16 57.155 56.596 0.559 1
1 100 . 12 1 1 A 16 16 SER HA H 16 5.564 5.619 -0.055 1
1 101 . 12 1 1 A 16 16 SER CB C 16 66.124 65.724 0.400 1
1 103 . 12 1 1 A 16 16 SER C C 16 173.455 173.688 -0.233 1
1 105 . 12 1 1 A 17 17 LYS N N 17 117.543 120.683 -3.140 1
1 106 . 12 1 1 A 17 17 LYS H H 17 8.870 8.948 -0.078 1
1 107 . 12 1 1 A 17 17 LYS CA C 17 56.063 54.315 1.748 1
1 108 . 12 1 1 A 17 17 LYS HA H 17 4.673 5.138 -0.465 1
1 109 . 12 1 1 A 17 17 LYS CB C 17 35.602 35.930 -0.328 1
1 117 . 12 1 1 A 17 17 LYS C C 17 174.625 175.203 -0.578 1
1 122 . 12 1 1 A 18 18 GLY N N 18 110.702 107.845 2.857 1
1 123 . 12 1 1 A 18 18 GLY H H 18 8.746 8.499 0.247 1
1 124 . 12 1 1 A 18 18 GLY CA C 18 44.501 44.351 0.150 1
1 125 . 12 1 1 A 18 18 GLY HA3 H 18 3.998 4.266 -0.268 1
1 126 . 12 1 1 A 18 18 GLY C C 18 175.460 174.390 1.070 1
1 127 . 12 1 1 A 18 18 GLY HA2 H 18 4.947 4.232 0.715 1
1 128 . 12 1 1 A 19 19 ALA CA C 19 55.387 54.671 0.716 1
1 129 . 12 1 1 A 19 19 ALA HA H 19 4.229 4.089 0.140 1
1 130 . 12 1 1 A 19 19 ALA CB C 19 18.689 18.895 -0.206 1
1 134 . 12 1 1 A 19 19 ALA C C 19 179.606 179.718 -0.112 1
1 135 . 12 1 1 A 20 20 GLY N N 20 101.587 107.016 -5.429 1
1 136 . 12 1 1 A 20 20 GLY H H 20 8.466 8.325 0.141 1
1 137 . 12 1 1 A 20 20 GLY CA C 20 46.078 47.113 -1.035 1
1 138 . 12 1 1 A 20 20 GLY HA3 H 20 3.596 3.842 -0.246 1
1 139 . 12 1 1 A 20 20 GLY C C 20 173.214 176.486 -3.272 1
1 140 . 12 1 1 A 20 20 GLY HA2 H 20 4.689 3.808 0.881 1
1 141 . 12 1 1 A 21 21 LEU N N 21 115.987 122.857 -6.870 1
1 142 . 12 1 1 A 21 21 LEU H H 21 6.928 7.800 -0.872 1
1 143 . 12 1 1 A 21 21 LEU CA C 21 55.567 57.358 -1.791 1
1 144 . 12 1 1 A 21 21 LEU HA H 21 3.404 3.810 -0.406 1
1 145 . 12 1 1 A 21 21 LEU CB C 21 41.702 41.175 0.527 1
1 157 . 12 1 1 A 21 21 LEU C C 21 175.989 179.346 -3.357 1
1 159 . 12 1 1 A 22 22 SER N N 22 106.483 113.055 -6.572 1
1 160 . 12 1 1 A 22 22 SER H H 22 7.808 8.129 -0.321 1
1 161 . 12 1 1 A 22 22 SER CA C 22 58.956 60.715 -1.759 1
1 162 . 12 1 1 A 22 22 SER HA H 22 4.901 4.438 0.463 1
1 163 . 12 1 1 A 22 22 SER CB C 22 66.238 63.654 2.584 1
1 165 . 12 1 1 A 22 22 SER C C 22 174.051 174.042 0.009 1
1 167 . 12 1 1 A 23 23 LYS N N 23 124.757 115.118 9.639 1
1 168 . 12 1 1 A 23 23 LYS H H 23 8.399 7.887 0.512 1
1 169 . 12 1 1 A 23 23 LYS CA C 23 55.676 54.826 0.850 1
1 170 . 12 1 1 A 23 23 LYS HA H 23 4.973 4.604 0.369 1
1 171 . 12 1 1 A 23 23 LYS CB C 23 36.338 35.870 0.468 1
1 179 . 12 1 1 A 23 23 LYS C C 23 173.136 173.727 -0.591 1
1 184 . 12 1 1 A 24 24 ALA N N 24 123.565 121.470 2.095 1
1 185 . 12 1 1 A 24 24 ALA H H 24 7.541 8.167 -0.626 1
1 186 . 12 1 1 A 24 24 ALA CA C 24 51.148 49.719 1.429 1
1 187 . 12 1 1 A 24 24 ALA HA H 24 4.256 4.839 -0.583 1
1 188 . 12 1 1 A 24 24 ALA CB C 24 22.019 23.504 -1.485 1
1 192 . 12 1 1 A 24 24 ALA C C 24 173.515 175.257 -1.742 1
1 193 . 12 1 1 A 25 25 PHE N N 25 114.269 116.163 -1.894 1
1 194 . 12 1 1 A 25 25 PHE H H 25 7.858 8.508 -0.650 1
1 195 . 12 1 1 A 25 25 PHE CA C 25 55.809 56.476 -0.667 1
1 196 . 12 1 1 A 25 25 PHE HA H 25 5.191 4.934 0.257 1
1 197 . 12 1 1 A 25 25 PHE CB C 25 41.943 42.363 -0.420 1
1 209 . 12 1 1 A 25 25 PHE C C 25 177.046 175.588 1.458 1
1 211 . 12 1 1 A 26 26 VAL N N 26 123.270 123.233 0.037 1
1 212 . 12 1 1 A 26 26 VAL H H 26 9.338 8.741 0.597 1
1 213 . 12 1 1 A 26 26 VAL CA C 26 65.054 65.221 -0.167 1
1 214 . 12 1 1 A 26 26 VAL HA H 26 3.441 3.602 -0.161 1
1 215 . 12 1 1 A 26 26 VAL CB C 26 31.757 31.563 0.194 1
1 225 . 12 1 1 A 26 26 VAL C C 26 178.201 177.283 0.918 1
1 226 . 12 1 1 A 27 27 GLY N N 27 112.668 114.889 -2.221 1
1 227 . 12 1 1 A 27 27 GLY H H 27 8.862 8.886 -0.024 1
1 228 . 12 1 1 A 27 27 GLY CA C 27 45.857 45.462 0.395 1
1 229 . 12 1 1 A 27 27 GLY HA3 H 27 4.229 4.022 0.207 1
1 230 . 12 1 1 A 27 27 GLY C C 27 173.411 174.320 -0.909 1
1 231 . 12 1 1 A 27 27 GLY HA2 H 27 3.631 4.022 -0.391 1
1 232 . 12 1 1 A 28 28 GLN N N 28 118.568 120.745 -2.177 1
1 233 . 12 1 1 A 28 28 GLN H H 28 7.755 7.972 -0.217 1
1 234 . 12 1 1 A 28 28 GLN CA C 28 53.825 56.865 -3.040 1
1 235 . 12 1 1 A 28 28 GLN HA H 28 4.690 4.356 0.334 1
1 236 . 12 1 1 A 28 28 GLN CB C 28 30.975 29.994 0.981 1
1 243 . 12 1 1 A 28 28 GLN C C 28 175.517 175.444 0.073 1
1 246 . 12 1 1 A 29 29 LYS N N 29 123.598 124.960 -1.362 1
1 247 . 12 1 1 A 29 29 LYS H H 29 8.839 8.695 0.144 1
1 248 . 12 1 1 A 29 29 LYS CA C 29 57.587 56.192 1.395 1
1 249 . 12 1 1 A 29 29 LYS HA H 29 4.158 4.561 -0.403 1
1 250 . 12 1 1 A 29 29 LYS CB C 29 32.381 33.060 -0.679 1
1 258 . 12 1 1 A 29 29 LYS C C 29 176.190 174.809 1.381 1
1 263 . 12 1 1 A 30 30 SER N N 30 124.030 124.684 -0.654 1
1 264 . 12 1 1 A 30 30 SER H H 30 8.694 8.308 0.386 1
1 265 . 12 1 1 A 30 30 SER CA C 30 57.560 58.410 -0.850 1
1 266 . 12 1 1 A 30 30 SER HA H 30 4.758 4.715 0.043 1
1 267 . 12 1 1 A 30 30 SER CB C 30 64.143 63.897 0.246 1
1 269 . 12 1 1 A 30 30 SER C C 30 173.413 173.819 -0.406 1
1 271 . 12 1 1 A 31 31 SER N N 31 116.828 118.459 -1.631 1
1 272 . 12 1 1 A 31 31 SER H H 31 8.894 8.657 0.237 1
1 273 . 12 1 1 A 31 31 SER CA C 31 57.132 55.569 1.563 1
1 274 . 12 1 1 A 31 31 SER HA H 31 6.181 5.315 0.866 1
1 275 . 12 1 1 A 31 31 SER CB C 31 67.745 66.401 1.344 1
1 277 . 12 1 1 A 31 31 SER C C 31 174.171 173.600 0.571 1
1 279 . 12 1 1 A 32 32 PHE N N 32 117.724 116.749 0.975 1
1 280 . 12 1 1 A 32 32 PHE H H 32 8.853 8.535 0.318 1
1 281 . 12 1 1 A 32 32 PHE CA C 32 57.190 56.315 0.875 1
1 282 . 12 1 1 A 32 32 PHE HA H 32 5.016 5.177 -0.161 1
1 283 . 12 1 1 A 32 32 PHE CB C 32 40.712 41.403 -0.691 1
1 295 . 12 1 1 A 32 32 PHE C C 32 170.765 172.107 -1.342 1
1 297 . 12 1 1 A 33 33 LEU N N 33 121.533 123.943 -2.410 1
1 298 . 12 1 1 A 33 33 LEU H H 33 9.223 8.943 0.280 1
1 299 . 12 1 1 A 33 33 LEU CA C 33 53.636 53.417 0.219 1
1 300 . 12 1 1 A 33 33 LEU HA H 33 5.531 5.280 0.251 1
1 301 . 12 1 1 A 33 33 LEU CB C 33 46.278 45.523 0.755 1
1 313 . 12 1 1 A 33 33 LEU C C 33 176.559 174.471 2.088 1
1 315 . 12 1 1 A 34 34 VAL N N 34 123.140 126.390 -3.250 1
1 316 . 12 1 1 A 34 34 VAL H H 34 9.257 8.522 0.735 1
1 317 . 12 1 1 A 34 34 VAL CA C 34 61.182 61.526 -0.344 1
1 318 . 12 1 1 A 34 34 VAL HA H 34 4.785 4.993 -0.208 1
1 319 . 12 1 1 A 34 34 VAL CB C 34 34.589 34.681 -0.092 1
1 329 . 12 1 1 A 34 34 VAL C C 34 174.370 174.305 0.065 1
1 330 . 12 1 1 A 35 35 ASP N N 35 126.353 127.553 -1.200 1
1 331 . 12 1 1 A 35 35 ASP H H 35 9.312 8.834 0.478 1
1 332 . 12 1 1 A 35 35 ASP CA C 35 53.298 54.302 -1.004 1
1 333 . 12 1 1 A 35 35 ASP HA H 35 5.229 4.924 0.305 1
1 334 . 12 1 1 A 35 35 ASP CB C 35 41.538 41.282 0.256 1
1 336 . 12 1 1 A 35 35 ASP C C 35 176.980 176.242 0.738 1
1 338 . 12 1 1 A 36 36 CYS N N 36 125.342 125.200 0.142 1
1 339 . 12 1 1 A 36 36 CYS H H 36 9.275 8.652 0.623 1
1 340 . 12 1 1 A 36 36 CYS CA C 36 57.367 58.158 -0.791 1
1 341 . 12 1 1 A 36 36 CYS HA H 36 4.374 4.703 -0.329 1
1 342 . 12 1 1 A 36 36 CYS CB C 36 28.369 28.481 -0.112 1
1 344 . 12 1 1 A 36 36 CYS C C 36 177.015 174.888 2.127 1
1 346 . 12 1 1 A 37 37 SER N N 37 119.973 117.662 2.311 1
1 347 . 12 1 1 A 37 37 SER H H 37 9.039 7.983 1.056 1
1 348 . 12 1 1 A 37 37 SER CA C 37 62.787 61.880 0.907 1
1 349 . 12 1 1 A 37 37 SER HA H 37 3.932 4.110 -0.178 1
1 350 . 12 1 1 A 37 37 SER CB C 37 62.982 63.058 -0.076 1
1 352 . 12 1 1 A 37 37 SER C C 37 176.290 176.690 -0.400 1
1 354 . 12 1 1 A 38 38 LYS N N 38 120.815 121.009 -0.194 1
1 355 . 12 1 1 A 38 38 LYS H H 38 8.676 7.832 0.844 1
1 356 . 12 1 1 A 38 38 LYS CA C 38 55.123 58.299 -3.176 1
1 357 . 12 1 1 A 38 38 LYS HA H 38 4.730 4.141 0.589 1
1 358 . 12 1 1 A 38 38 LYS CB C 38 32.250 31.930 0.320 1
1 366 . 12 1 1 A 38 38 LYS C C 38 176.385 179.194 -2.809 1
1 371 . 12 1 1 A 39 39 ALA N N 39 121.594 122.086 -0.492 1
1 372 . 12 1 1 A 39 39 ALA H H 39 7.322 7.890 -0.568 1
1 373 . 12 1 1 A 39 39 ALA CA C 39 52.127 54.908 -2.781 1
1 374 . 12 1 1 A 39 39 ALA HA H 39 4.436 4.132 0.304 1
1 375 . 12 1 1 A 39 39 ALA CB C 39 21.347 19.486 1.861 1
1 379 . 12 1 1 A 39 39 ALA C C 39 177.453 177.835 -0.382 1
1 380 . 12 1 1 A 40 40 GLY N N 40 111.873 103.036 8.837 1
1 381 . 12 1 1 A 40 40 GLY H H 40 8.755 7.228 1.527 1
1 382 . 12 1 1 A 40 40 GLY CA C 40 45.619 45.862 -0.243 1
1 383 . 12 1 1 A 40 40 GLY HA3 H 40 4.329 4.309 0.020 1
1 384 . 12 1 1 A 40 40 GLY C C 40 173.801 172.046 1.755 1
1 385 . 12 1 1 A 40 40 GLY HA2 H 40 3.754 4.256 -0.502 1
1 386 . 12 1 1 A 41 41 SER N N 41 117.149 118.814 -1.665 1
1 387 . 12 1 1 A 41 41 SER H H 41 8.524 8.531 -0.007 1
1 388 . 12 1 1 A 41 41 SER CA C 41 56.849 56.961 -0.112 1
1 389 . 12 1 1 A 41 41 SER HA H 41 5.010 4.871 0.139 1
1 390 . 12 1 1 A 41 41 SER CB C 41 63.917 63.573 0.344 1
1 392 . 12 1 1 A 41 41 SER C C 41 172.603 172.722 -0.119 1
1 394 . 12 1 1 A 42 42 ASN N N 42 125.590 122.868 2.722 1
1 395 . 12 1 1 A 42 42 ASN H H 42 7.155 8.310 -1.155 1
1 396 . 12 1 1 A 42 42 ASN CA C 42 50.805 51.548 -0.743 1
1 397 . 12 1 1 A 42 42 ASN HA H 42 3.256 4.882 -1.626 1
1 398 . 12 1 1 A 42 42 ASN CB C 42 39.354 40.476 -1.122 1
1 403 . 12 1 1 A 42 42 ASN C C 42 170.908 174.166 -3.258 1
1 405 . 12 1 1 A 43 43 MET N N 43 115.129 117.559 -2.430 1
1 406 . 12 1 1 A 43 43 MET H H 43 8.366 7.938 0.428 1
1 407 . 12 1 1 A 43 43 MET CA C 43 53.424 52.987 0.437 1
1 408 . 12 1 1 A 43 43 MET HA H 43 4.102 5.193 -1.091 1
1 409 . 12 1 1 A 43 43 MET CB C 43 35.572 35.177 0.395 1
1 417 . 12 1 1 A 43 43 MET C C 43 173.140 174.163 -1.023 1
1 420 . 12 1 1 A 44 44 LEU N N 44 128.038 122.957 5.081 1
1 421 . 12 1 1 A 44 44 LEU H H 44 8.300 8.525 -0.225 1
1 422 . 12 1 1 A 44 44 LEU CA C 44 53.806 53.682 0.124 1
1 423 . 12 1 1 A 44 44 LEU HA H 44 5.331 5.146 0.185 1
1 424 . 12 1 1 A 44 44 LEU CB C 44 43.598 44.493 -0.895 1
1 436 . 12 1 1 A 44 44 LEU C C 44 175.236 175.633 -0.397 1
1 438 . 12 1 1 A 45 45 LEU N N 45 126.999 122.596 4.403 1
1 439 . 12 1 1 A 45 45 LEU H H 45 9.109 8.998 0.111 1
1 440 . 12 1 1 A 45 45 LEU CA C 45 54.800 52.565 2.235 1
1 441 . 12 1 1 A 45 45 LEU HA H 45 5.135 5.290 -0.155 1
1 442 . 12 1 1 A 45 45 LEU CB C 45 45.499 45.663 -0.164 1
1 454 . 12 1 1 A 45 45 LEU C C 45 175.167 175.625 -0.458 1
1 456 . 12 1 1 A 46 46 ILE N N 46 118.172 119.705 -1.533 1
1 457 . 12 1 1 A 46 46 ILE H H 46 7.966 8.718 -0.752 1
1 458 . 12 1 1 A 46 46 ILE CA C 46 58.091 59.640 -1.549 1
1 459 . 12 1 1 A 46 46 ILE HA H 46 5.412 5.009 0.403 1
1 460 . 12 1 1 A 46 46 ILE CB C 46 41.988 42.144 -0.156 1
1 472 . 12 1 1 A 46 46 ILE C C 46 174.748 175.697 -0.949 1
1 474 . 12 1 1 A 47 47 GLY N N 47 110.148 115.520 -5.372 1
1 475 . 12 1 1 A 47 47 GLY H H 47 8.554 8.750 -0.196 1
1 476 . 12 1 1 A 47 47 GLY CA C 47 46.136 46.141 -0.005 1
1 477 . 12 1 1 A 47 47 GLY HA3 H 47 4.604 4.173 0.431 1
1 478 . 12 1 1 A 47 47 GLY C C 47 171.583 173.466 -1.883 1
1 479 . 12 1 1 A 47 47 GLY HA2 H 47 3.933 4.168 -0.235 1
1 480 . 12 1 1 A 48 48 VAL N N 48 120.434 118.112 2.322 1
1 481 . 12 1 1 A 48 48 VAL H H 48 9.048 7.619 1.429 1
1 482 . 12 1 1 A 48 48 VAL CA C 48 61.060 62.217 -1.157 1
1 483 . 12 1 1 A 48 48 VAL HA H 48 5.143 4.065 1.078 1
1 484 . 12 1 1 A 48 48 VAL CB C 48 34.976 32.237 2.739 1
1 494 . 12 1 1 A 48 48 VAL C C 48 175.260 175.838 -0.578 1
1 495 . 12 1 1 A 49 49 HIS N N 49 127.718 120.417 7.301 1
1 496 . 12 1 1 A 49 49 HIS H H 49 9.556 8.832 0.724 1
1 497 . 12 1 1 A 49 49 HIS CA C 49 55.342 55.298 0.044 1
1 498 . 12 1 1 A 49 49 HIS HA H 49 4.987 4.742 0.245 1
1 499 . 12 1 1 A 49 49 HIS CB C 49 34.476 30.649 3.827 1
1 505 . 12 1 1 A 49 49 HIS C C 49 173.822 175.399 -1.577 1
1 507 . 12 1 1 A 50 50 GLY N N 50 115.577 106.518 9.059 1
1 508 . 12 1 1 A 50 50 GLY H H 50 8.192 8.496 -0.304 1
1 509 . 12 1 1 A 50 50 GLY CA C 50 44.693 45.700 -1.007 1
1 510 . 12 1 1 A 50 50 GLY HA3 H 50 3.247 4.196 -0.949 1
1 511 . 12 1 1 A 50 50 GLY C C 50 171.437 173.373 -1.936 1
1 512 . 12 1 1 A 50 50 GLY HA2 H 50 3.722 4.117 -0.395 1
1 513 . 12 1 1 A 51 51 PRO CA C 51 64.376 65.143 -0.767 1
1 514 . 12 1 1 A 51 51 PRO HA H 51 4.104 4.325 -0.221 1
1 515 . 12 1 1 A 51 51 PRO CB C 51 32.141 31.907 0.234 1
1 521 . 12 1 1 A 51 51 PRO C C 51 177.607 177.893 -0.286 1
1 525 . 12 1 1 A 52 52 THR N N 52 109.088 109.697 -0.609 1
1 526 . 12 1 1 A 52 52 THR H H 52 8.447 8.278 0.169 1
1 527 . 12 1 1 A 52 52 THR CA C 52 62.861 63.576 -0.715 1
1 528 . 12 1 1 A 52 52 THR HA H 52 4.424 4.679 -0.255 1
1 529 . 12 1 1 A 52 52 THR CB C 52 70.329 71.285 -0.956 1
1 535 . 12 1 1 A 52 52 THR C C 52 174.926 173.914 1.012 1
1 536 . 12 1 1 A 53 53 THR N N 53 118.915 114.809 4.106 1
1 537 . 12 1 1 A 53 53 THR H H 53 7.983 8.149 -0.166 1
1 538 . 12 1 1 A 53 53 THR CA C 53 59.878 58.994 0.884 1
1 539 . 12 1 1 A 53 53 THR HA H 53 4.751 4.753 -0.002 1
1 540 . 12 1 1 A 53 53 THR CB C 53 71.034 69.838 1.196 1
1 546 . 12 1 1 A 53 53 THR C C 53 172.019 172.494 -0.475 1
1 547 . 12 1 1 A 54 54 PRO CA C 54 62.614 62.155 0.459 1
1 548 . 12 1 1 A 54 54 PRO HA H 54 4.629 4.398 0.231 1
1 549 . 12 1 1 A 54 54 PRO CB C 54 32.845 32.626 0.219 1
1 555 . 12 1 1 A 54 54 PRO C C 54 177.751 176.092 1.659 1
1 559 . 12 1 1 A 55 55 CYS N N 55 121.538 120.520 1.018 1
1 560 . 12 1 1 A 55 55 CYS H H 55 8.938 8.368 0.570 1
1 561 . 12 1 1 A 55 55 CYS CA C 55 60.342 58.651 1.691 1
1 562 . 12 1 1 A 55 55 CYS HA H 55 4.563 4.685 -0.122 1
1 563 . 12 1 1 A 55 55 CYS CB C 55 27.534 28.634 -1.100 1
1 565 . 12 1 1 A 55 55 CYS C C 55 174.437 175.815 -1.378 1
1 567 . 12 1 1 A 56 56 GLU N N 56 124.530 123.623 0.907 1
1 568 . 12 1 1 A 56 56 GLU H H 56 8.450 8.712 -0.262 1
1 569 . 12 1 1 A 56 56 GLU CA C 56 59.363 59.169 0.194 1
1 570 . 12 1 1 A 56 56 GLU HA H 56 4.471 4.219 0.252 1
1 571 . 12 1 1 A 56 56 GLU CB C 56 31.217 30.509 0.708 1
1 575 . 12 1 1 A 56 56 GLU C C 56 176.847 176.614 0.233 1
1 578 . 12 1 1 A 57 57 GLU N N 57 114.661 113.991 0.670 1
1 579 . 12 1 1 A 57 57 GLU H H 57 7.478 7.744 -0.266 1
1 580 . 12 1 1 A 57 57 GLU CA C 57 55.551 55.480 0.071 1
1 581 . 12 1 1 A 57 57 GLU HA H 57 5.414 4.681 0.733 1
1 582 . 12 1 1 A 57 57 GLU CB C 57 34.084 31.612 2.472 1
1 586 . 12 1 1 A 57 57 GLU C C 57 174.400 173.879 0.521 1
1 589 . 12 1 1 A 58 58 VAL N N 58 123.611 120.452 3.159 1
1 590 . 12 1 1 A 58 58 VAL H H 58 8.605 8.421 0.184 1
1 591 . 12 1 1 A 58 58 VAL CA C 58 62.048 61.742 0.306 1
1 592 . 12 1 1 A 58 58 VAL HA H 58 4.941 4.752 0.189 1
1 593 . 12 1 1 A 58 58 VAL CB C 58 35.700 34.428 1.272 1
1 603 . 12 1 1 A 58 58 VAL C C 58 174.426 174.862 -0.436 1
1 604 . 12 1 1 A 59 59 SER N N 59 121.592 124.164 -2.572 1
1 605 . 12 1 1 A 59 59 SER H H 59 9.635 9.305 0.330 1
1 606 . 12 1 1 A 59 59 SER CA C 59 57.012 58.256 -1.244 1
1 607 . 12 1 1 A 59 59 SER HA H 59 5.526 4.963 0.563 1
1 608 . 12 1 1 A 59 59 SER CB C 59 65.896 63.815 2.081 1
1 610 . 12 1 1 A 59 59 SER C C 59 172.465 173.914 -1.449 1
1 612 . 12 1 1 A 60 60 MET N N 60 122.508 125.517 -3.009 1
1 613 . 12 1 1 A 60 60 MET H H 60 9.435 9.159 0.276 1
1 614 . 12 1 1 A 60 60 MET CA C 60 54.541 53.946 0.595 1
1 615 . 12 1 1 A 60 60 MET HA H 60 5.352 5.614 -0.262 1
1 616 . 12 1 1 A 60 60 MET CB C 60 37.420 34.638 2.782 1
1 624 . 12 1 1 A 60 60 MET C C 60 174.616 175.142 -0.526 1
1 627 . 12 1 1 A 61 61 LYS N N 61 125.580 123.497 2.083 1
1 628 . 12 1 1 A 61 61 LYS H H 61 8.963 9.174 -0.211 1
1 629 . 12 1 1 A 61 61 LYS CA C 61 54.688 54.835 -0.147 1
1 630 . 12 1 1 A 61 61 LYS HA H 61 5.396 4.897 0.499 1
1 631 . 12 1 1 A 61 61 LYS CB C 61 36.412 36.403 0.009 1
1 639 . 12 1 1 A 61 61 LYS C C 61 175.548 175.146 0.402 1
1 644 . 12 1 1 A 62 62 HIS N N 62 125.822 124.616 1.206 1
1 645 . 12 1 1 A 62 62 HIS H H 62 8.967 8.921 0.046 1
1 646 . 12 1 1 A 62 62 HIS CA C 62 55.674 54.103 1.571 1
1 647 . 12 1 1 A 62 62 HIS HA H 62 4.621 4.827 -0.206 1
1 648 . 12 1 1 A 62 62 HIS CB C 62 29.732 28.709 1.023 1
1 654 . 12 1 1 A 62 62 HIS C C 62 175.912 175.118 0.794 1
1 656 . 12 1 1 A 63 63 VAL N N 63 124.131 123.841 0.290 1
1 657 . 12 1 1 A 63 63 VAL H H 63 8.633 7.848 0.785 1
1 658 . 12 1 1 A 63 63 VAL CA C 63 61.288 64.377 -3.089 1
1 659 . 12 1 1 A 63 63 VAL HA H 63 4.299 3.648 0.651 1
1 660 . 12 1 1 A 63 63 VAL CB C 63 30.964 32.481 -1.517 1
1 670 . 12 1 1 A 63 63 VAL C C 63 175.339 175.365 -0.026 1
1 671 . 12 1 1 A 64 64 GLY N N 64 108.087 109.833 -1.746 1
1 672 . 12 1 1 A 64 64 GLY H H 64 5.406 6.922 -1.516 1
1 673 . 12 1 1 A 64 64 GLY CA C 64 44.979 43.456 1.523 1
1 674 . 12 1 1 A 64 64 GLY HA3 H 64 3.118 3.754 -0.636 1
1 675 . 12 1 1 A 64 64 GLY C C 64 174.125 173.943 0.182 1
1 676 . 12 1 1 A 64 64 GLY HA2 H 64 4.287 3.070 1.217 1
1 677 . 12 1 1 A 65 65 ASN N N 65 118.292 117.400 0.892 1
1 678 . 12 1 1 A 65 65 ASN H H 65 9.260 9.271 -0.011 1
1 679 . 12 1 1 A 65 65 ASN CA C 65 54.643 54.547 0.096 1
1 680 . 12 1 1 A 65 65 ASN HA H 65 4.401 4.398 0.003 1
1 681 . 12 1 1 A 65 65 ASN CB C 65 37.695 36.958 0.737 1
1 686 . 12 1 1 A 65 65 ASN C C 65 174.079 174.683 -0.604 1
1 688 . 12 1 1 A 66 66 GLN N N 66 111.325 108.900 2.425 1
1 689 . 12 1 1 A 66 66 GLN H H 66 10.512 8.555 1.957 1
1 690 . 12 1 1 A 66 66 GLN CA C 66 57.009 57.353 -0.344 1
1 691 . 12 1 1 A 66 66 GLN HA H 66 3.713 3.908 -0.195 1
1 692 . 12 1 1 A 66 66 GLN CB C 66 24.986 26.755 -1.769 1
1 699 . 12 1 1 A 66 66 GLN C C 66 173.896 174.249 -0.353 1
1 702 . 12 1 1 A 67 67 GLN N N 67 115.692 117.419 -1.727 1
1 703 . 12 1 1 A 67 67 GLN H H 67 7.492 7.786 -0.294 1
1 704 . 12 1 1 A 67 67 GLN CA C 67 54.496 54.655 -0.159 1
1 705 . 12 1 1 A 67 67 GLN HA H 67 5.400 4.838 0.562 1
1 706 . 12 1 1 A 67 67 GLN CB C 67 29.896 31.124 -1.228 1
1 713 . 12 1 1 A 67 67 GLN C C 67 175.043 174.004 1.039 1
1 716 . 12 1 1 A 68 68 TYR N N 68 121.249 121.985 -0.736 1
1 717 . 12 1 1 A 68 68 TYR H H 68 9.573 8.983 0.590 1
1 718 . 12 1 1 A 68 68 TYR CA C 68 56.443 56.894 -0.451 1
1 719 . 12 1 1 A 68 68 TYR HA H 68 5.417 5.207 0.210 1
1 720 . 12 1 1 A 68 68 TYR CB C 68 41.249 40.326 0.923 1
1 730 . 12 1 1 A 68 68 TYR C C 68 174.846 174.677 0.169 1
1 732 . 12 1 1 A 69 69 ASN N N 69 122.429 123.806 -1.377 1
1 733 . 12 1 1 A 69 69 ASN H H 69 9.354 9.479 -0.125 1
1 734 . 12 1 1 A 69 69 ASN CA C 69 52.454 53.045 -0.591 1
1 735 . 12 1 1 A 69 69 ASN HA H 69 5.260 4.917 0.343 1
1 736 . 12 1 1 A 69 69 ASN CB C 69 40.922 40.273 0.649 1
1 741 . 12 1 1 A 69 69 ASN C C 69 174.835 174.223 0.612 1
1 743 . 12 1 1 A 70 70 VAL N N 70 131.599 126.160 5.439 1
1 744 . 12 1 1 A 70 70 VAL H H 70 9.157 8.069 1.088 1
1 745 . 12 1 1 A 70 70 VAL CA C 70 60.900 60.503 0.397 1
1 746 . 12 1 1 A 70 70 VAL HA H 70 4.910 5.053 -0.143 1
1 747 . 12 1 1 A 70 70 VAL CB C 70 31.882 34.108 -2.226 1
1 757 . 12 1 1 A 70 70 VAL C C 70 174.368 174.393 -0.025 1
1 758 . 12 1 1 A 71 71 THR N N 71 119.213 121.235 -2.022 1
1 759 . 12 1 1 A 71 71 THR H H 71 8.996 8.908 0.088 1
1 760 . 12 1 1 A 71 71 THR CA C 71 59.796 61.133 -1.337 1
1 761 . 12 1 1 A 71 71 THR HA H 71 5.614 5.090 0.524 1
1 762 . 12 1 1 A 71 71 THR CB C 71 72.339 71.876 0.463 1
1 768 . 12 1 1 A 71 71 THR C C 71 173.260 173.409 -0.149 1
1 769 . 12 1 1 A 72 72 TYR N N 72 121.105 122.091 -0.986 1
1 770 . 12 1 1 A 72 72 TYR H H 72 9.200 8.222 0.978 1
1 771 . 12 1 1 A 72 72 TYR CA C 72 56.112 55.497 0.615 1
1 772 . 12 1 1 A 72 72 TYR HA H 72 5.600 5.607 -0.007 1
1 773 . 12 1 1 A 72 72 TYR CB C 72 41.878 41.514 0.364 1
1 783 . 12 1 1 A 72 72 TYR C C 72 173.176 173.988 -0.812 1
1 785 . 12 1 1 A 73 73 VAL N N 73 118.799 120.036 -1.237 1
1 786 . 12 1 1 A 73 73 VAL H H 73 8.214 8.194 0.020 1
1 787 . 12 1 1 A 73 73 VAL CA C 73 61.111 61.364 -0.253 1
1 788 . 12 1 1 A 73 73 VAL HA H 73 4.514 4.842 -0.328 1
1 789 . 12 1 1 A 73 73 VAL CB C 73 35.729 34.484 1.245 1
1 799 . 12 1 1 A 73 73 VAL C C 73 175.529 175.022 0.507 1
1 800 . 12 1 1 A 74 74 VAL N N 74 121.061 124.689 -3.628 1
1 801 . 12 1 1 A 74 74 VAL H H 74 8.947 8.939 0.008 1
1 802 . 12 1 1 A 74 74 VAL CA C 74 59.858 60.545 -0.687 1
1 803 . 12 1 1 A 74 74 VAL HA H 74 4.785 4.894 -0.109 1
1 804 . 12 1 1 A 74 74 VAL CB C 74 32.795 33.541 -0.746 1
1 814 . 12 1 1 A 74 74 VAL C C 74 176.022 175.347 0.675 1
1 815 . 12 1 1 A 75 75 LYS N N 75 120.273 126.391 -6.118 1
1 816 . 12 1 1 A 75 75 LYS H H 75 9.404 9.177 0.227 1
1 817 . 12 1 1 A 75 75 LYS CA C 75 55.705 56.288 -0.583 1
1 818 . 12 1 1 A 75 75 LYS HA H 75 4.653 4.601 0.052 1
1 819 . 12 1 1 A 75 75 LYS CB C 75 34.767 32.988 1.779 1
1 827 . 12 1 1 A 75 75 LYS C C 75 175.025 175.823 -0.798 1
1 832 . 12 1 1 A 76 76 GLU N N 76 117.540 119.216 -1.676 1
1 833 . 12 1 1 A 76 76 GLU H H 76 7.224 7.766 -0.542 1
1 834 . 12 1 1 A 76 76 GLU CA C 76 54.893 55.105 -0.212 1
1 835 . 12 1 1 A 76 76 GLU HA H 76 4.747 4.948 -0.201 1
1 836 . 12 1 1 A 76 76 GLU CB C 76 33.199 33.577 -0.378 1
1 840 . 12 1 1 A 76 76 GLU C C 76 175.664 174.641 1.023 1
1 843 . 12 1 1 A 77 77 ARG N N 77 125.564 121.750 3.814 1
1 844 . 12 1 1 A 77 77 ARG H H 77 8.906 8.701 0.205 1
1 845 . 12 1 1 A 77 77 ARG CA C 77 56.610 54.076 2.534 1
1 846 . 12 1 1 A 77 77 ARG HA H 77 4.234 5.070 -0.836 1
1 847 . 12 1 1 A 77 77 ARG CB C 77 31.036 33.458 -2.422 1
1 855 . 12 1 1 A 77 77 ARG C C 77 174.779 175.292 -0.513 1
1 859 . 12 1 1 A 78 78 GLY N N 78 108.773 107.461 1.312 1
1 860 . 12 1 1 A 78 78 GLY H H 78 8.928 8.755 0.173 1
1 861 . 12 1 1 A 78 78 GLY CA C 78 44.418 44.331 0.087 1
1 862 . 12 1 1 A 78 78 GLY HA3 H 78 3.770 4.212 -0.442 1
1 863 . 12 1 1 A 78 78 GLY C C 78 171.452 172.874 -1.422 1
1 864 . 12 1 1 A 78 78 GLY HA2 H 78 4.467 4.192 0.275 1
1 865 . 12 1 1 A 79 79 ASP N N 79 120.109 122.345 -2.236 1
1 866 . 12 1 1 A 79 79 ASP H H 79 8.070 8.488 -0.418 1
1 867 . 12 1 1 A 79 79 ASP CA C 79 54.204 53.903 0.301 1
1 868 . 12 1 1 A 79 79 ASP HA H 79 5.344 5.129 0.215 1
1 869 . 12 1 1 A 79 79 ASP CB C 79 42.148 41.946 0.202 1
1 871 . 12 1 1 A 79 79 ASP C C 79 175.474 175.052 0.422 1
1 873 . 12 1 1 A 80 80 TYR N N 80 121.969 123.932 -1.963 1
1 874 . 12 1 1 A 80 80 TYR H H 80 9.412 9.185 0.227 1
1 875 . 12 1 1 A 80 80 TYR CA C 80 56.872 56.879 -0.007 1
1 876 . 12 1 1 A 80 80 TYR HA H 80 4.821 5.008 -0.187 1
1 877 . 12 1 1 A 80 80 TYR CB C 80 41.557 43.965 -2.408 1
1 887 . 12 1 1 A 80 80 TYR C C 80 175.552 174.968 0.584 1
1 889 . 12 1 1 A 81 81 VAL N N 81 121.669 120.640 1.029 1
1 890 . 12 1 1 A 81 81 VAL H H 81 8.688 8.429 0.259 1
1 891 . 12 1 1 A 81 81 VAL CA C 81 61.217 61.380 -0.163 1
1 892 . 12 1 1 A 81 81 VAL HA H 81 4.606 4.665 -0.059 1
1 893 . 12 1 1 A 81 81 VAL CB C 81 33.990 33.644 0.346 1
1 903 . 12 1 1 A 81 81 VAL C C 81 173.568 174.103 -0.535 1
1 904 . 12 1 1 A 82 82 LEU N N 82 129.806 130.245 -0.439 1
1 905 . 12 1 1 A 82 82 LEU H H 82 8.873 8.712 0.161 1
1 906 . 12 1 1 A 82 82 LEU CA C 82 53.321 53.935 -0.614 1
1 907 . 12 1 1 A 82 82 LEU HA H 82 5.150 4.959 0.191 1
1 908 . 12 1 1 A 82 82 LEU CB C 82 44.594 43.613 0.981 1
1 920 . 12 1 1 A 82 82 LEU C C 82 174.427 174.799 -0.372 1
1 922 . 12 1 1 A 83 83 ALA N N 83 128.482 130.375 -1.893 1
1 923 . 12 1 1 A 83 83 ALA H H 83 9.294 9.089 0.205 1
1 924 . 12 1 1 A 83 83 ALA CA C 83 50.133 50.377 -0.244 1
1 925 . 12 1 1 A 83 83 ALA HA H 83 5.081 5.099 -0.018 1
1 926 . 12 1 1 A 83 83 ALA CB C 83 21.500 20.456 1.044 1
1 930 . 12 1 1 A 83 83 ALA C C 83 174.991 175.965 -0.974 1
1 931 . 12 1 1 A 84 84 VAL N N 84 121.691 123.860 -2.169 1
1 932 . 12 1 1 A 84 84 VAL H H 84 9.222 9.161 0.061 1
1 933 . 12 1 1 A 84 84 VAL CA C 84 61.324 61.369 -0.045 1
1 934 . 12 1 1 A 84 84 VAL HA H 84 4.785 4.799 -0.014 1
1 935 . 12 1 1 A 84 84 VAL CB C 84 34.116 33.590 0.526 1
1 945 . 12 1 1 A 84 84 VAL C C 84 174.156 175.077 -0.921 1
1 946 . 12 1 1 A 85 85 LYS N N 85 124.020 126.325 -2.305 1
1 947 . 12 1 1 A 85 85 LYS H H 85 9.193 8.464 0.729 1
1 948 . 12 1 1 A 85 85 LYS CA C 85 54.222 54.503 -0.281 1
1 949 . 12 1 1 A 85 85 LYS HA H 85 4.958 5.101 -0.143 1
1 950 . 12 1 1 A 85 85 LYS CB C 85 34.814 35.250 -0.436 1
1 958 . 12 1 1 A 85 85 LYS C C 85 173.704 175.269 -1.565 1
1 963 . 12 1 1 A 86 86 TRP N N 86 123.429 124.442 -1.013 1
1 964 . 12 1 1 A 86 86 TRP H H 86 8.623 8.885 -0.262 1
1 965 . 12 1 1 A 86 86 TRP CA C 86 53.803 56.695 -2.892 1
1 966 . 12 1 1 A 86 86 TRP HA H 86 5.583 4.880 0.703 1
1 967 . 12 1 1 A 86 86 TRP CB C 86 32.084 31.374 0.710 1
1 981 . 12 1 1 A 86 86 TRP C C 86 176.916 175.814 1.102 1
1 983 . 12 1 1 A 87 87 GLY N N 87 116.722 114.646 2.076 1
1 984 . 12 1 1 A 87 87 GLY H H 87 8.782 9.158 -0.376 1
1 985 . 12 1 1 A 87 87 GLY CA C 87 46.432 46.824 -0.392 1
1 986 . 12 1 1 A 87 87 GLY HA3 H 87 3.152 3.612 -0.460 1
1 987 . 12 1 1 A 87 87 GLY C C 87 173.838 174.065 -0.227 1
1 988 . 12 1 1 A 87 87 GLY HA2 H 87 3.732 3.397 0.335 1
1 989 . 12 1 1 A 88 88 GLU N N 88 122.405 110.537 11.868 1
1 990 . 12 1 1 A 88 88 GLU H H 88 8.592 8.422 0.170 1
1 991 . 12 1 1 A 88 88 GLU CA C 88 56.004 57.653 -1.649 1
1 992 . 12 1 1 A 88 88 GLU HA H 88 4.057 3.811 0.246 1
1 993 . 12 1 1 A 88 88 GLU CB C 88 29.764 27.269 2.495 1
1 997 . 12 1 1 A 88 88 GLU C C 88 176.465 174.856 1.609 1
1 1000 . 12 1 1 A 89 89 GLU N N 89 117.358 117.124 0.234 1
1 1001 . 12 1 1 A 89 89 GLU H H 89 7.226 7.544 -0.318 1
1 1002 . 12 1 1 A 89 89 GLU CA C 89 54.921 54.833 0.088 1
1 1003 . 12 1 1 A 89 89 GLU HA H 89 4.580 5.121 -0.541 1
1 1004 . 12 1 1 A 89 89 GLU CB C 89 33.160 34.157 -0.997 1
1 1008 . 12 1 1 A 89 89 GLU C C 89 175.674 174.861 0.813 1
1 1011 . 12 1 1 A 90 90 HIS N N 90 122.210 116.769 5.441 1
1 1012 . 12 1 1 A 90 90 HIS H H 90 8.603 8.800 -0.197 1
1 1013 . 12 1 1 A 90 90 HIS CA C 90 58.321 54.627 3.694 1
1 1014 . 12 1 1 A 90 90 HIS HA H 90 4.343 5.145 -0.802 1
1 1015 . 12 1 1 A 90 90 HIS CB C 90 32.786 31.956 0.830 1
1 1021 . 12 1 1 A 90 90 HIS C C 90 177.001 175.329 1.672 1
1 1023 . 12 1 1 A 91 91 ILE N N 91 117.760 122.775 -5.015 1
1 1024 . 12 1 1 A 91 91 ILE H H 91 8.289 8.146 0.143 1
1 1025 . 12 1 1 A 91 91 ILE CA C 91 61.019 60.273 0.746 1
1 1026 . 12 1 1 A 91 91 ILE HA H 91 4.482 4.221 0.261 1
1 1027 . 12 1 1 A 91 91 ILE CB C 91 35.655 37.882 -2.227 1
1 1039 . 12 1 1 A 91 91 ILE C C 91 173.231 175.506 -2.275 1
1 1041 . 12 1 1 A 92 92 PRO CA C 92 65.378 63.326 2.052 1
1 1042 . 12 1 1 A 92 92 PRO HA H 92 4.207 4.463 -0.256 1
1 1043 . 12 1 1 A 92 92 PRO CB C 92 31.301 30.929 0.372 1
1 1049 . 12 1 1 A 92 92 PRO C C 92 177.559 177.409 0.150 1
1 1053 . 12 1 1 A 93 93 GLY N N 93 115.174 113.070 2.104 1
1 1054 . 12 1 1 A 93 93 GLY H H 93 8.291 8.281 0.010 1
1 1055 . 12 1 1 A 93 93 GLY CA C 93 44.729 44.878 -0.149 1
1 1056 . 12 1 1 A 93 93 GLY HA3 H 93 3.122 3.725 -0.603 1
1 1057 . 12 1 1 A 93 93 GLY C C 93 171.695 173.721 -2.026 1
1 1058 . 12 1 1 A 93 93 GLY HA2 H 93 4.116 3.632 0.484 1
1 1059 . 12 1 1 A 94 94 SER N N 94 112.948 116.995 -4.047 1
1 1060 . 12 1 1 A 94 94 SER H H 94 7.612 7.599 0.013 1
1 1061 . 12 1 1 A 94 94 SER CA C 94 54.585 55.276 -0.691 1
1 1062 . 12 1 1 A 94 94 SER HA H 94 4.002 4.702 -0.700 1
1 1063 . 12 1 1 A 94 94 SER CB C 94 62.348 64.837 -2.489 1
1 1065 . 12 1 1 A 94 94 SER C C 94 174.321 172.709 1.612 1
1 1067 . 12 1 1 A 95 95 PRO CA C 95 62.338 62.820 -0.482 1
1 1068 . 12 1 1 A 95 95 PRO HA H 95 5.296 4.968 0.328 1
1 1069 . 12 1 1 A 95 95 PRO CB C 95 33.730 32.690 1.040 1
1 1075 . 12 1 1 A 95 95 PRO C C 95 175.728 176.892 -1.164 1
1 1079 . 12 1 1 A 96 96 PHE N N 96 124.415 121.349 3.066 1
1 1080 . 12 1 1 A 96 96 PHE H H 96 9.643 8.613 1.030 1
1 1081 . 12 1 1 A 96 96 PHE CA C 96 57.405 57.861 -0.456 1
1 1082 . 12 1 1 A 96 96 PHE HA H 96 4.474 4.804 -0.330 1
1 1083 . 12 1 1 A 96 96 PHE CB C 96 40.160 39.857 0.303 1
1 1095 . 12 1 1 A 96 96 PHE C C 96 175.736 175.468 0.268 1
1 1097 . 12 1 1 A 97 97 HIS N N 97 121.364 122.274 -0.910 1
1 1098 . 12 1 1 A 97 97 HIS H H 97 8.898 8.871 0.027 1
1 1099 . 12 1 1 A 97 97 HIS CA C 97 55.214 54.743 0.471 1
1 1100 . 12 1 1 A 97 97 HIS HA H 97 5.124 4.984 0.140 1
1 1101 . 12 1 1 A 97 97 HIS CB C 97 29.981 31.003 -1.022 1
1 1107 . 12 1 1 A 97 97 HIS C C 97 173.895 173.307 0.588 1
1 1109 . 12 1 1 A 98 98 VAL N N 98 127.912 128.787 -0.875 1
1 1110 . 12 1 1 A 98 98 VAL H H 98 8.582 8.848 -0.266 1
1 1111 . 12 1 1 A 98 98 VAL CA C 98 61.467 61.050 0.417 1
1 1112 . 12 1 1 A 98 98 VAL HA H 98 4.096 4.694 -0.598 1
1 1113 . 12 1 1 A 98 98 VAL CB C 98 35.455 33.408 2.047 1
1 1123 . 12 1 1 A 98 98 VAL C C 98 174.874 174.919 -0.045 1
1 1124 . 12 1 1 A 99 99 THR N N 99 123.090 123.185 -0.095 1
1 1125 . 12 1 1 A 99 99 THR H H 99 8.117 8.749 -0.632 1
1 1126 . 12 1 1 A 99 99 THR CA C 99 62.031 61.736 0.295 1
1 1127 . 12 1 1 A 99 99 THR HA H 99 4.852 4.920 -0.068 1
1 1128 . 12 1 1 A 99 99 THR CB C 99 70.661 70.461 0.200 1
1 1134 . 12 1 1 A 99 99 THR C C 99 173.264 173.845 -0.581 1
1 1135 . 12 1 1 A 100 100 VAL N N 100 129.827 126.390 3.437 1
1 1136 . 12 1 1 A 100 100 VAL H H 100 8.812 9.390 -0.578 1
1 1137 . 12 1 1 A 100 100 VAL CA C 100 58.577 58.849 -0.272 1
1 1138 . 12 1 1 A 100 100 VAL HA H 100 5.053 4.758 0.295 1
1 1139 . 12 1 1 A 100 100 VAL CB C 100 33.365 34.297 -0.932 1
1 1149 . 12 1 1 A 100 100 VAL C C 100 174.927 174.342 0.585 1
1 1 . 13 1 1 A 6 6 SER CA C 6 58.666 56.302 2.364 1
1 2 . 13 1 1 A 6 6 SER HA H 6 4.514 5.260 -0.746 1
1 3 . 13 1 1 A 6 6 SER CB C 6 63.933 65.604 -1.671 1
1 5 . 13 1 1 A 6 6 SER C C 6 175.074 173.921 1.153 1
1 7 . 13 1 1 A 7 7 GLY N N 7 110.792 109.659 1.133 1
1 8 . 13 1 1 A 7 7 GLY H H 7 8.450 8.333 0.117 1
1 9 . 13 1 1 A 7 7 GLY CA C 7 45.406 44.385 1.021 1
1 10 . 13 1 1 A 7 7 GLY HA3 H 7 4.052 4.214 -0.162 1
1 11 . 13 1 1 A 7 7 GLY C C 7 174.270 173.405 0.865 1
1 12 . 13 1 1 A 7 7 GLY HA2 H 7 4.052 4.209 -0.157 1
1 13 . 13 1 1 A 8 8 SER N N 8 115.558 116.546 -0.988 1
1 14 . 13 1 1 A 8 8 SER H H 8 8.274 8.485 -0.211 1
1 15 . 13 1 1 A 8 8 SER CA C 8 58.332 58.239 0.093 1
1 16 . 13 1 1 A 8 8 SER HA H 8 4.557 4.591 -0.034 1
1 17 . 13 1 1 A 8 8 SER CB C 8 63.930 63.139 0.791 1
1 19 . 13 1 1 A 8 8 SER C C 8 174.064 174.444 -0.380 1
1 21 . 13 1 1 A 9 9 SER N N 9 116.801 121.702 -4.901 1
1 22 . 13 1 1 A 9 9 SER H H 9 8.227 9.143 -0.916 1
1 23 . 13 1 1 A 9 9 SER CA C 9 58.075 57.692 0.383 1
1 24 . 13 1 1 A 9 9 SER HA H 9 5.001 5.355 -0.354 1
1 25 . 13 1 1 A 9 9 SER CB C 9 64.491 64.225 0.266 1
1 27 . 13 1 1 A 9 9 SER C C 9 174.318 173.324 0.994 1
1 29 . 13 1 1 A 10 10 ASP N N 10 122.324 126.685 -4.361 1
1 30 . 13 1 1 A 10 10 ASP H H 10 8.262 9.263 -1.001 1
1 31 . 13 1 1 A 10 10 ASP CA C 10 53.833 53.030 0.803 1
1 32 . 13 1 1 A 10 10 ASP HA H 10 4.892 5.185 -0.293 1
1 33 . 13 1 1 A 10 10 ASP CB C 10 41.497 43.305 -1.808 1
1 35 . 13 1 1 A 10 10 ASP C C 10 176.306 176.220 0.086 1
1 37 . 13 1 1 A 11 11 ALA N N 11 126.255 125.155 1.100 1
1 38 . 13 1 1 A 11 11 ALA H H 11 9.091 8.864 0.227 1
1 39 . 13 1 1 A 11 11 ALA CA C 11 54.713 54.789 -0.076 1
1 40 . 13 1 1 A 11 11 ALA HA H 11 4.056 4.174 -0.118 1
1 41 . 13 1 1 A 11 11 ALA CB C 11 20.177 19.038 1.139 1
1 45 . 13 1 1 A 11 11 ALA C C 11 177.950 179.445 -1.495 1
1 46 . 13 1 1 A 12 12 SER N N 12 110.658 113.615 -2.957 1
1 47 . 13 1 1 A 12 12 SER H H 12 8.224 8.145 0.079 1
1 48 . 13 1 1 A 12 12 SER CA C 12 60.857 61.014 -0.157 1
1 49 . 13 1 1 A 12 12 SER HA H 12 4.240 4.192 0.048 1
1 50 . 13 1 1 A 12 12 SER CB C 12 62.964 63.014 -0.050 1
1 52 . 13 1 1 A 12 12 SER C C 12 175.312 176.021 -0.709 1
1 54 . 13 1 1 A 13 13 LYS N N 13 119.063 118.082 0.981 1
1 55 . 13 1 1 A 13 13 LYS H H 13 7.349 7.714 -0.365 1
1 56 . 13 1 1 A 13 13 LYS CA C 13 54.948 57.704 -2.756 1
1 57 . 13 1 1 A 13 13 LYS HA H 13 4.293 4.326 -0.033 1
1 58 . 13 1 1 A 13 13 LYS CB C 13 33.037 33.145 -0.108 1
1 66 . 13 1 1 A 13 13 LYS C C 13 177.263 177.440 -0.177 1
1 71 . 13 1 1 A 14 14 VAL N N 14 124.317 120.455 3.862 1
1 72 . 13 1 1 A 14 14 VAL H H 14 7.500 7.394 0.106 1
1 73 . 13 1 1 A 14 14 VAL CA C 14 63.797 63.143 0.654 1
1 74 . 13 1 1 A 14 14 VAL HA H 14 3.870 3.656 0.214 1
1 75 . 13 1 1 A 14 14 VAL CB C 14 31.996 31.402 0.594 1
1 85 . 13 1 1 A 14 14 VAL C C 14 175.873 175.365 0.508 1
1 86 . 13 1 1 A 15 15 THR N N 15 117.704 118.603 -0.899 1
1 87 . 13 1 1 A 15 15 THR H H 15 8.197 8.461 -0.264 1
1 88 . 13 1 1 A 15 15 THR CA C 15 59.805 59.848 -0.043 1
1 89 . 13 1 1 A 15 15 THR HA H 15 4.911 5.211 -0.300 1
1 90 . 13 1 1 A 15 15 THR CB C 15 71.373 71.816 -0.443 1
1 96 . 13 1 1 A 15 15 THR C C 15 172.695 173.820 -1.125 1
1 97 . 13 1 1 A 16 16 SER N N 16 113.256 118.034 -4.778 1
1 98 . 13 1 1 A 16 16 SER H H 16 8.442 9.081 -0.639 1
1 99 . 13 1 1 A 16 16 SER CA C 16 57.155 56.214 0.941 1
1 100 . 13 1 1 A 16 16 SER HA H 16 5.564 5.484 0.080 1
1 101 . 13 1 1 A 16 16 SER CB C 16 66.124 65.793 0.331 1
1 103 . 13 1 1 A 16 16 SER C C 16 173.455 173.667 -0.212 1
1 105 . 13 1 1 A 17 17 LYS N N 17 117.543 120.807 -3.264 1
1 106 . 13 1 1 A 17 17 LYS H H 17 8.870 8.883 -0.013 1
1 107 . 13 1 1 A 17 17 LYS CA C 17 56.063 54.458 1.605 1
1 108 . 13 1 1 A 17 17 LYS HA H 17 4.673 5.357 -0.684 1
1 109 . 13 1 1 A 17 17 LYS CB C 17 35.602 36.431 -0.829 1
1 117 . 13 1 1 A 17 17 LYS C C 17 174.625 174.873 -0.248 1
1 122 . 13 1 1 A 18 18 GLY N N 18 110.702 107.845 2.857 1
1 123 . 13 1 1 A 18 18 GLY H H 18 8.746 8.524 0.222 1
1 124 . 13 1 1 A 18 18 GLY CA C 18 44.501 44.915 -0.414 1
1 125 . 13 1 1 A 18 18 GLY HA3 H 18 3.998 4.326 -0.328 1
1 126 . 13 1 1 A 18 18 GLY C C 18 175.460 174.806 0.654 1
1 127 . 13 1 1 A 18 18 GLY HA2 H 18 4.947 4.285 0.662 1
1 128 . 13 1 1 A 19 19 ALA CA C 19 55.387 55.377 0.010 1
1 129 . 13 1 1 A 19 19 ALA HA H 19 4.229 4.114 0.115 1
1 130 . 13 1 1 A 19 19 ALA CB C 19 18.689 18.670 0.019 1
1 134 . 13 1 1 A 19 19 ALA C C 19 179.606 179.797 -0.191 1
1 135 . 13 1 1 A 20 20 GLY N N 20 101.587 107.187 -5.600 1
1 136 . 13 1 1 A 20 20 GLY H H 20 8.466 8.388 0.078 1
1 137 . 13 1 1 A 20 20 GLY CA C 20 46.078 47.274 -1.196 1
1 138 . 13 1 1 A 20 20 GLY HA3 H 20 3.596 3.956 -0.360 1
1 139 . 13 1 1 A 20 20 GLY C C 20 173.214 176.558 -3.344 1
1 140 . 13 1 1 A 20 20 GLY HA2 H 20 4.689 3.917 0.772 1
1 141 . 13 1 1 A 21 21 LEU N N 21 115.987 122.940 -6.953 1
1 142 . 13 1 1 A 21 21 LEU H H 21 6.928 7.693 -0.765 1
1 143 . 13 1 1 A 21 21 LEU CA C 21 55.567 57.404 -1.837 1
1 144 . 13 1 1 A 21 21 LEU HA H 21 3.404 3.840 -0.436 1
1 145 . 13 1 1 A 21 21 LEU CB C 21 41.702 41.090 0.612 1
1 157 . 13 1 1 A 21 21 LEU C C 21 175.989 179.491 -3.502 1
1 159 . 13 1 1 A 22 22 SER N N 22 106.483 113.196 -6.713 1
1 160 . 13 1 1 A 22 22 SER H H 22 7.808 8.076 -0.268 1
1 161 . 13 1 1 A 22 22 SER CA C 22 58.956 60.944 -1.988 1
1 162 . 13 1 1 A 22 22 SER HA H 22 4.901 4.474 0.427 1
1 163 . 13 1 1 A 22 22 SER CB C 22 66.238 63.706 2.532 1
1 165 . 13 1 1 A 22 22 SER C C 22 174.051 174.162 -0.111 1
1 167 . 13 1 1 A 23 23 LYS N N 23 124.757 115.025 9.732 1
1 168 . 13 1 1 A 23 23 LYS H H 23 8.399 8.054 0.345 1
1 169 . 13 1 1 A 23 23 LYS CA C 23 55.676 54.981 0.695 1
1 170 . 13 1 1 A 23 23 LYS HA H 23 4.973 4.724 0.249 1
1 171 . 13 1 1 A 23 23 LYS CB C 23 36.338 35.536 0.802 1
1 179 . 13 1 1 A 23 23 LYS C C 23 173.136 173.936 -0.800 1
1 184 . 13 1 1 A 24 24 ALA N N 24 123.565 121.718 1.847 1
1 185 . 13 1 1 A 24 24 ALA H H 24 7.541 8.417 -0.876 1
1 186 . 13 1 1 A 24 24 ALA CA C 24 51.148 50.502 0.646 1
1 187 . 13 1 1 A 24 24 ALA HA H 24 4.256 5.492 -1.236 1
1 188 . 13 1 1 A 24 24 ALA CB C 24 22.019 24.099 -2.080 1
1 192 . 13 1 1 A 24 24 ALA C C 24 173.515 175.623 -2.108 1
1 193 . 13 1 1 A 25 25 PHE N N 25 114.269 116.062 -1.793 1
1 194 . 13 1 1 A 25 25 PHE H H 25 7.858 8.926 -1.068 1
1 195 . 13 1 1 A 25 25 PHE CA C 25 55.809 56.437 -0.628 1
1 196 . 13 1 1 A 25 25 PHE HA H 25 5.191 5.004 0.187 1
1 197 . 13 1 1 A 25 25 PHE CB C 25 41.943 42.328 -0.385 1
1 209 . 13 1 1 A 25 25 PHE C C 25 177.046 175.554 1.492 1
1 211 . 13 1 1 A 26 26 VAL N N 26 123.270 123.275 -0.005 1
1 212 . 13 1 1 A 26 26 VAL H H 26 9.338 8.697 0.641 1
1 213 . 13 1 1 A 26 26 VAL CA C 26 65.054 65.118 -0.064 1
1 214 . 13 1 1 A 26 26 VAL HA H 26 3.441 3.733 -0.292 1
1 215 . 13 1 1 A 26 26 VAL CB C 26 31.757 31.526 0.231 1
1 225 . 13 1 1 A 26 26 VAL C C 26 178.201 177.354 0.847 1
1 226 . 13 1 1 A 27 27 GLY N N 27 112.668 114.809 -2.141 1
1 227 . 13 1 1 A 27 27 GLY H H 27 8.862 9.082 -0.220 1
1 228 . 13 1 1 A 27 27 GLY CA C 27 45.857 45.398 0.459 1
1 229 . 13 1 1 A 27 27 GLY HA3 H 27 4.229 4.029 0.200 1
1 230 . 13 1 1 A 27 27 GLY C C 27 173.411 174.275 -0.864 1
1 231 . 13 1 1 A 27 27 GLY HA2 H 27 3.631 4.024 -0.393 1
1 232 . 13 1 1 A 28 28 GLN N N 28 118.568 120.926 -2.358 1
1 233 . 13 1 1 A 28 28 GLN H H 28 7.755 8.033 -0.278 1
1 234 . 13 1 1 A 28 28 GLN CA C 28 53.825 56.276 -2.451 1
1 235 . 13 1 1 A 28 28 GLN HA H 28 4.690 4.271 0.419 1
1 236 . 13 1 1 A 28 28 GLN CB C 28 30.975 29.362 1.613 1
1 243 . 13 1 1 A 28 28 GLN C C 28 175.517 175.673 -0.156 1
1 246 . 13 1 1 A 29 29 LYS N N 29 123.598 126.640 -3.042 1
1 247 . 13 1 1 A 29 29 LYS H H 29 8.839 8.288 0.551 1
1 248 . 13 1 1 A 29 29 LYS CA C 29 57.587 56.730 0.857 1
1 249 . 13 1 1 A 29 29 LYS HA H 29 4.158 4.296 -0.138 1
1 250 . 13 1 1 A 29 29 LYS CB C 29 32.381 32.701 -0.320 1
1 258 . 13 1 1 A 29 29 LYS C C 29 176.190 175.406 0.784 1
1 263 . 13 1 1 A 30 30 SER N N 30 124.030 123.442 0.588 1
1 264 . 13 1 1 A 30 30 SER H H 30 8.694 7.901 0.793 1
1 265 . 13 1 1 A 30 30 SER CA C 30 57.560 58.949 -1.389 1
1 266 . 13 1 1 A 30 30 SER HA H 30 4.758 4.635 0.123 1
1 267 . 13 1 1 A 30 30 SER CB C 30 64.143 63.389 0.754 1
1 269 . 13 1 1 A 30 30 SER C C 30 173.413 174.019 -0.606 1
1 271 . 13 1 1 A 31 31 SER N N 31 116.828 119.101 -2.273 1
1 272 . 13 1 1 A 31 31 SER H H 31 8.894 8.642 0.252 1
1 273 . 13 1 1 A 31 31 SER CA C 31 57.132 55.609 1.523 1
1 274 . 13 1 1 A 31 31 SER HA H 31 6.181 5.308 0.873 1
1 275 . 13 1 1 A 31 31 SER CB C 31 67.745 66.572 1.173 1
1 277 . 13 1 1 A 31 31 SER C C 31 174.171 173.545 0.626 1
1 279 . 13 1 1 A 32 32 PHE N N 32 117.724 116.909 0.815 1
1 280 . 13 1 1 A 32 32 PHE H H 32 8.853 8.442 0.411 1
1 281 . 13 1 1 A 32 32 PHE CA C 32 57.190 56.266 0.924 1
1 282 . 13 1 1 A 32 32 PHE HA H 32 5.016 5.175 -0.159 1
1 283 . 13 1 1 A 32 32 PHE CB C 32 40.712 41.559 -0.847 1
1 295 . 13 1 1 A 32 32 PHE C C 32 170.765 172.080 -1.315 1
1 297 . 13 1 1 A 33 33 LEU N N 33 121.533 124.251 -2.718 1
1 298 . 13 1 1 A 33 33 LEU H H 33 9.223 8.787 0.436 1
1 299 . 13 1 1 A 33 33 LEU CA C 33 53.636 53.850 -0.214 1
1 300 . 13 1 1 A 33 33 LEU HA H 33 5.531 5.079 0.452 1
1 301 . 13 1 1 A 33 33 LEU CB C 33 46.278 44.945 1.333 1
1 313 . 13 1 1 A 33 33 LEU C C 33 176.559 174.423 2.136 1
1 315 . 13 1 1 A 34 34 VAL N N 34 123.140 126.667 -3.527 1
1 316 . 13 1 1 A 34 34 VAL H H 34 9.257 8.878 0.379 1
1 317 . 13 1 1 A 34 34 VAL CA C 34 61.182 61.454 -0.272 1
1 318 . 13 1 1 A 34 34 VAL HA H 34 4.785 4.851 -0.066 1
1 319 . 13 1 1 A 34 34 VAL CB C 34 34.589 33.615 0.974 1
1 329 . 13 1 1 A 34 34 VAL C C 34 174.370 174.448 -0.078 1
1 330 . 13 1 1 A 35 35 ASP N N 35 126.353 127.866 -1.513 1
1 331 . 13 1 1 A 35 35 ASP H H 35 9.312 9.102 0.210 1
1 332 . 13 1 1 A 35 35 ASP CA C 35 53.298 54.410 -1.112 1
1 333 . 13 1 1 A 35 35 ASP HA H 35 5.229 4.990 0.239 1
1 334 . 13 1 1 A 35 35 ASP CB C 35 41.538 41.672 -0.134 1
1 336 . 13 1 1 A 35 35 ASP C C 35 176.980 176.999 -0.019 1
1 338 . 13 1 1 A 36 36 CYS N N 36 125.342 121.182 4.160 1
1 339 . 13 1 1 A 36 36 CYS H H 36 9.275 8.684 0.591 1
1 340 . 13 1 1 A 36 36 CYS CA C 36 57.367 57.606 -0.239 1
1 341 . 13 1 1 A 36 36 CYS HA H 36 4.374 4.567 -0.193 1
1 342 . 13 1 1 A 36 36 CYS CB C 36 28.369 27.133 1.236 1
1 344 . 13 1 1 A 36 36 CYS C C 36 177.015 175.706 1.309 1
1 346 . 13 1 1 A 37 37 SER N N 37 119.973 117.238 2.735 1
1 347 . 13 1 1 A 37 37 SER H H 37 9.039 7.955 1.084 1
1 348 . 13 1 1 A 37 37 SER CA C 37 62.787 61.443 1.344 1
1 349 . 13 1 1 A 37 37 SER HA H 37 3.932 4.237 -0.305 1
1 350 . 13 1 1 A 37 37 SER CB C 37 62.982 63.016 -0.034 1
1 352 . 13 1 1 A 37 37 SER C C 37 176.290 177.489 -1.199 1
1 354 . 13 1 1 A 38 38 LYS N N 38 120.815 120.877 -0.062 1
1 355 . 13 1 1 A 38 38 LYS H H 38 8.676 7.765 0.911 1
1 356 . 13 1 1 A 38 38 LYS CA C 38 55.123 58.834 -3.711 1
1 357 . 13 1 1 A 38 38 LYS HA H 38 4.730 4.126 0.604 1
1 358 . 13 1 1 A 38 38 LYS CB C 38 32.250 31.968 0.282 1
1 366 . 13 1 1 A 38 38 LYS C C 38 176.385 179.021 -2.636 1
1 371 . 13 1 1 A 39 39 ALA N N 39 121.594 122.354 -0.760 1
1 372 . 13 1 1 A 39 39 ALA H H 39 7.322 7.835 -0.513 1
1 373 . 13 1 1 A 39 39 ALA CA C 39 52.127 54.805 -2.678 1
1 374 . 13 1 1 A 39 39 ALA HA H 39 4.436 4.149 0.287 1
1 375 . 13 1 1 A 39 39 ALA CB C 39 21.347 19.483 1.864 1
1 379 . 13 1 1 A 39 39 ALA C C 39 177.453 177.813 -0.360 1
1 380 . 13 1 1 A 40 40 GLY N N 40 111.873 102.719 9.154 1
1 381 . 13 1 1 A 40 40 GLY H H 40 8.755 7.339 1.416 1
1 382 . 13 1 1 A 40 40 GLY CA C 40 45.619 46.007 -0.388 1
1 383 . 13 1 1 A 40 40 GLY HA3 H 40 4.329 4.277 0.052 1
1 384 . 13 1 1 A 40 40 GLY C C 40 173.801 172.612 1.189 1
1 385 . 13 1 1 A 40 40 GLY HA2 H 40 3.754 4.210 -0.456 1
1 386 . 13 1 1 A 41 41 SER N N 41 117.149 119.146 -1.997 1
1 387 . 13 1 1 A 41 41 SER H H 41 8.524 8.081 0.443 1
1 388 . 13 1 1 A 41 41 SER CA C 41 56.849 57.232 -0.383 1
1 389 . 13 1 1 A 41 41 SER HA H 41 5.010 4.909 0.101 1
1 390 . 13 1 1 A 41 41 SER CB C 41 63.917 63.716 0.201 1
1 392 . 13 1 1 A 41 41 SER C C 41 172.603 173.530 -0.927 1
1 394 . 13 1 1 A 42 42 ASN N N 42 125.590 120.664 4.926 1
1 395 . 13 1 1 A 42 42 ASN H H 42 7.155 8.065 -0.910 1
1 396 . 13 1 1 A 42 42 ASN CA C 42 50.805 51.599 -0.794 1
1 397 . 13 1 1 A 42 42 ASN HA H 42 3.256 4.451 -1.195 1
1 398 . 13 1 1 A 42 42 ASN CB C 42 39.354 39.234 0.120 1
1 403 . 13 1 1 A 42 42 ASN C C 42 170.908 174.693 -3.785 1
1 405 . 13 1 1 A 43 43 MET N N 43 115.129 120.598 -5.469 1
1 406 . 13 1 1 A 43 43 MET H H 43 8.366 7.998 0.368 1
1 407 . 13 1 1 A 43 43 MET CA C 43 53.424 53.285 0.139 1
1 408 . 13 1 1 A 43 43 MET HA H 43 4.102 5.037 -0.935 1
1 409 . 13 1 1 A 43 43 MET CB C 43 35.572 33.800 1.772 1
1 417 . 13 1 1 A 43 43 MET C C 43 173.140 174.312 -1.172 1
1 420 . 13 1 1 A 44 44 LEU N N 44 128.038 125.870 2.168 1
1 421 . 13 1 1 A 44 44 LEU H H 44 8.300 8.450 -0.150 1
1 422 . 13 1 1 A 44 44 LEU CA C 44 53.806 53.708 0.098 1
1 423 . 13 1 1 A 44 44 LEU HA H 44 5.331 4.917 0.414 1
1 424 . 13 1 1 A 44 44 LEU CB C 44 43.598 43.300 0.298 1
1 436 . 13 1 1 A 44 44 LEU C C 44 175.236 175.932 -0.696 1
1 438 . 13 1 1 A 45 45 LEU N N 45 126.999 122.814 4.185 1
1 439 . 13 1 1 A 45 45 LEU H H 45 9.109 8.441 0.668 1
1 440 . 13 1 1 A 45 45 LEU CA C 45 54.800 52.612 2.188 1
1 441 . 13 1 1 A 45 45 LEU HA H 45 5.135 5.183 -0.048 1
1 442 . 13 1 1 A 45 45 LEU CB C 45 45.499 44.927 0.572 1
1 454 . 13 1 1 A 45 45 LEU C C 45 175.167 175.441 -0.274 1
1 456 . 13 1 1 A 46 46 ILE N N 46 118.172 120.057 -1.885 1
1 457 . 13 1 1 A 46 46 ILE H H 46 7.966 8.715 -0.749 1
1 458 . 13 1 1 A 46 46 ILE CA C 46 58.091 59.650 -1.559 1
1 459 . 13 1 1 A 46 46 ILE HA H 46 5.412 5.020 0.392 1
1 460 . 13 1 1 A 46 46 ILE CB C 46 41.988 41.663 0.325 1
1 472 . 13 1 1 A 46 46 ILE C C 46 174.748 175.891 -1.143 1
1 474 . 13 1 1 A 47 47 GLY N N 47 110.148 115.958 -5.810 1
1 475 . 13 1 1 A 47 47 GLY H H 47 8.554 8.712 -0.158 1
1 476 . 13 1 1 A 47 47 GLY CA C 47 46.136 46.113 0.023 1
1 477 . 13 1 1 A 47 47 GLY HA3 H 47 4.604 4.186 0.418 1
1 478 . 13 1 1 A 47 47 GLY C C 47 171.583 173.794 -2.211 1
1 479 . 13 1 1 A 47 47 GLY HA2 H 47 3.933 4.183 -0.250 1
1 480 . 13 1 1 A 48 48 VAL N N 48 120.434 117.934 2.500 1
1 481 . 13 1 1 A 48 48 VAL H H 48 9.048 7.627 1.421 1
1 482 . 13 1 1 A 48 48 VAL CA C 48 61.060 62.369 -1.309 1
1 483 . 13 1 1 A 48 48 VAL HA H 48 5.143 4.067 1.076 1
1 484 . 13 1 1 A 48 48 VAL CB C 48 34.976 32.181 2.795 1
1 494 . 13 1 1 A 48 48 VAL C C 48 175.260 175.333 -0.073 1
1 495 . 13 1 1 A 49 49 HIS N N 49 127.718 126.514 1.204 1
1 496 . 13 1 1 A 49 49 HIS H H 49 9.556 8.788 0.768 1
1 497 . 13 1 1 A 49 49 HIS CA C 49 55.342 54.197 1.145 1
1 498 . 13 1 1 A 49 49 HIS HA H 49 4.987 5.175 -0.188 1
1 499 . 13 1 1 A 49 49 HIS CB C 49 34.476 32.879 1.597 1
1 505 . 13 1 1 A 49 49 HIS C C 49 173.822 174.084 -0.262 1
1 507 . 13 1 1 A 50 50 GLY N N 50 115.577 113.049 2.528 1
1 508 . 13 1 1 A 50 50 GLY H H 50 8.192 8.420 -0.228 1
1 509 . 13 1 1 A 50 50 GLY CA C 50 44.693 46.722 -2.029 1
1 510 . 13 1 1 A 50 50 GLY HA3 H 50 3.247 4.219 -0.972 1
1 511 . 13 1 1 A 50 50 GLY C C 50 171.437 173.921 -2.484 1
1 512 . 13 1 1 A 50 50 GLY HA2 H 50 3.722 4.169 -0.447 1
1 513 . 13 1 1 A 51 51 PRO CA C 51 64.376 65.107 -0.731 1
1 514 . 13 1 1 A 51 51 PRO HA H 51 4.104 4.326 -0.222 1
1 515 . 13 1 1 A 51 51 PRO CB C 51 32.141 31.941 0.200 1
1 521 . 13 1 1 A 51 51 PRO C C 51 177.607 177.959 -0.352 1
1 525 . 13 1 1 A 52 52 THR N N 52 109.088 108.055 1.033 1
1 526 . 13 1 1 A 52 52 THR H H 52 8.447 7.817 0.630 1
1 527 . 13 1 1 A 52 52 THR CA C 52 62.861 61.996 0.865 1
1 528 . 13 1 1 A 52 52 THR HA H 52 4.424 4.396 0.028 1
1 529 . 13 1 1 A 52 52 THR CB C 52 70.329 69.746 0.583 1
1 535 . 13 1 1 A 52 52 THR C C 52 174.926 174.915 0.011 1
1 536 . 13 1 1 A 53 53 THR N N 53 118.915 115.334 3.581 1
1 537 . 13 1 1 A 53 53 THR H H 53 7.983 7.754 0.229 1
1 538 . 13 1 1 A 53 53 THR CA C 53 59.878 59.133 0.745 1
1 539 . 13 1 1 A 53 53 THR HA H 53 4.751 4.728 0.023 1
1 540 . 13 1 1 A 53 53 THR CB C 53 71.034 72.159 -1.125 1
1 546 . 13 1 1 A 53 53 THR C C 53 172.019 171.925 0.094 1
1 547 . 13 1 1 A 54 54 PRO CA C 54 62.614 62.284 0.330 1
1 548 . 13 1 1 A 54 54 PRO HA H 54 4.629 4.597 0.032 1
1 549 . 13 1 1 A 54 54 PRO CB C 54 32.845 32.502 0.343 1
1 555 . 13 1 1 A 54 54 PRO C C 54 177.751 176.084 1.667 1
1 559 . 13 1 1 A 55 55 CYS N N 55 121.538 121.501 0.037 1
1 560 . 13 1 1 A 55 55 CYS H H 55 8.938 8.578 0.360 1
1 561 . 13 1 1 A 55 55 CYS CA C 55 60.342 57.950 2.392 1
1 562 . 13 1 1 A 55 55 CYS HA H 55 4.563 4.810 -0.247 1
1 563 . 13 1 1 A 55 55 CYS CB C 55 27.534 29.465 -1.931 1
1 565 . 13 1 1 A 55 55 CYS C C 55 174.437 175.608 -1.171 1
1 567 . 13 1 1 A 56 56 GLU N N 56 124.530 123.794 0.736 1
1 568 . 13 1 1 A 56 56 GLU H H 56 8.450 8.614 -0.164 1
1 569 . 13 1 1 A 56 56 GLU CA C 56 59.363 59.250 0.113 1
1 570 . 13 1 1 A 56 56 GLU HA H 56 4.471 4.231 0.240 1
1 571 . 13 1 1 A 56 56 GLU CB C 56 31.217 30.560 0.657 1
1 575 . 13 1 1 A 56 56 GLU C C 56 176.847 176.629 0.218 1
1 578 . 13 1 1 A 57 57 GLU N N 57 114.661 113.897 0.764 1
1 579 . 13 1 1 A 57 57 GLU H H 57 7.478 7.741 -0.263 1
1 580 . 13 1 1 A 57 57 GLU CA C 57 55.551 55.497 0.054 1
1 581 . 13 1 1 A 57 57 GLU HA H 57 5.414 4.682 0.732 1
1 582 . 13 1 1 A 57 57 GLU CB C 57 34.084 31.591 2.493 1
1 586 . 13 1 1 A 57 57 GLU C C 57 174.400 173.879 0.521 1
1 589 . 13 1 1 A 58 58 VAL N N 58 123.611 120.396 3.215 1
1 590 . 13 1 1 A 58 58 VAL H H 58 8.605 8.484 0.121 1
1 591 . 13 1 1 A 58 58 VAL CA C 58 62.048 61.999 0.049 1
1 592 . 13 1 1 A 58 58 VAL HA H 58 4.941 4.670 0.271 1
1 593 . 13 1 1 A 58 58 VAL CB C 58 35.700 34.113 1.587 1
1 603 . 13 1 1 A 58 58 VAL C C 58 174.426 174.466 -0.040 1
1 604 . 13 1 1 A 59 59 SER N N 59 121.592 123.927 -2.335 1
1 605 . 13 1 1 A 59 59 SER H H 59 9.635 9.265 0.370 1
1 606 . 13 1 1 A 59 59 SER CA C 59 57.012 57.170 -0.158 1
1 607 . 13 1 1 A 59 59 SER HA H 59 5.526 4.929 0.597 1
1 608 . 13 1 1 A 59 59 SER CB C 59 65.896 63.870 2.026 1
1 610 . 13 1 1 A 59 59 SER C C 59 172.465 173.672 -1.207 1
1 612 . 13 1 1 A 60 60 MET N N 60 122.508 126.354 -3.846 1
1 613 . 13 1 1 A 60 60 MET H H 60 9.435 8.939 0.496 1
1 614 . 13 1 1 A 60 60 MET CA C 60 54.541 53.897 0.644 1
1 615 . 13 1 1 A 60 60 MET HA H 60 5.352 5.714 -0.362 1
1 616 . 13 1 1 A 60 60 MET CB C 60 37.420 35.786 1.634 1
1 624 . 13 1 1 A 60 60 MET C C 60 174.616 175.024 -0.408 1
1 627 . 13 1 1 A 61 61 LYS N N 61 125.580 122.809 2.771 1
1 628 . 13 1 1 A 61 61 LYS H H 61 8.963 9.001 -0.038 1
1 629 . 13 1 1 A 61 61 LYS CA C 61 54.688 54.964 -0.276 1
1 630 . 13 1 1 A 61 61 LYS HA H 61 5.396 4.927 0.469 1
1 631 . 13 1 1 A 61 61 LYS CB C 61 36.412 36.849 -0.437 1
1 639 . 13 1 1 A 61 61 LYS C C 61 175.548 174.770 0.778 1
1 644 . 13 1 1 A 62 62 HIS N N 62 125.822 122.836 2.986 1
1 645 . 13 1 1 A 62 62 HIS H H 62 8.967 8.886 0.081 1
1 646 . 13 1 1 A 62 62 HIS CA C 62 55.674 53.888 1.786 1
1 647 . 13 1 1 A 62 62 HIS HA H 62 4.621 4.706 -0.085 1
1 648 . 13 1 1 A 62 62 HIS CB C 62 29.732 29.650 0.082 1
1 654 . 13 1 1 A 62 62 HIS C C 62 175.912 174.915 0.997 1
1 656 . 13 1 1 A 63 63 VAL N N 63 124.131 123.815 0.316 1
1 657 . 13 1 1 A 63 63 VAL H H 63 8.633 8.220 0.413 1
1 658 . 13 1 1 A 63 63 VAL CA C 63 61.288 64.441 -3.153 1
1 659 . 13 1 1 A 63 63 VAL HA H 63 4.299 3.654 0.645 1
1 660 . 13 1 1 A 63 63 VAL CB C 63 30.964 32.373 -1.409 1
1 670 . 13 1 1 A 63 63 VAL C C 63 175.339 175.390 -0.051 1
1 671 . 13 1 1 A 64 64 GLY N N 64 108.087 109.816 -1.729 1
1 672 . 13 1 1 A 64 64 GLY H H 64 5.406 6.775 -1.369 1
1 673 . 13 1 1 A 64 64 GLY CA C 64 44.979 43.296 1.683 1
1 674 . 13 1 1 A 64 64 GLY HA3 H 64 3.118 3.785 -0.667 1
1 675 . 13 1 1 A 64 64 GLY C C 64 174.125 173.826 0.299 1
1 676 . 13 1 1 A 64 64 GLY HA2 H 64 4.287 3.231 1.056 1
1 677 . 13 1 1 A 65 65 ASN N N 65 118.292 119.420 -1.128 1
1 678 . 13 1 1 A 65 65 ASN H H 65 9.260 9.203 0.057 1
1 679 . 13 1 1 A 65 65 ASN CA C 65 54.643 53.936 0.707 1
1 680 . 13 1 1 A 65 65 ASN HA H 65 4.401 4.397 0.004 1
1 681 . 13 1 1 A 65 65 ASN CB C 65 37.695 37.185 0.510 1
1 686 . 13 1 1 A 65 65 ASN C C 65 174.079 174.337 -0.258 1
1 688 . 13 1 1 A 66 66 GLN N N 66 111.325 109.802 1.523 1
1 689 . 13 1 1 A 66 66 GLN H H 66 10.512 8.593 1.919 1
1 690 . 13 1 1 A 66 66 GLN CA C 66 57.009 57.437 -0.428 1
1 691 . 13 1 1 A 66 66 GLN HA H 66 3.713 3.929 -0.216 1
1 692 . 13 1 1 A 66 66 GLN CB C 66 24.986 26.985 -1.999 1
1 699 . 13 1 1 A 66 66 GLN C C 66 173.896 174.412 -0.516 1
1 702 . 13 1 1 A 67 67 GLN N N 67 115.692 117.622 -1.930 1
1 703 . 13 1 1 A 67 67 GLN H H 67 7.492 7.941 -0.449 1
1 704 . 13 1 1 A 67 67 GLN CA C 67 54.496 54.808 -0.312 1
1 705 . 13 1 1 A 67 67 GLN HA H 67 5.400 5.026 0.374 1
1 706 . 13 1 1 A 67 67 GLN CB C 67 29.896 31.245 -1.349 1
1 713 . 13 1 1 A 67 67 GLN C C 67 175.043 174.388 0.655 1
1 716 . 13 1 1 A 68 68 TYR N N 68 121.249 121.190 0.059 1
1 717 . 13 1 1 A 68 68 TYR H H 68 9.573 8.853 0.720 1
1 718 . 13 1 1 A 68 68 TYR CA C 68 56.443 56.687 -0.244 1
1 719 . 13 1 1 A 68 68 TYR HA H 68 5.417 5.175 0.242 1
1 720 . 13 1 1 A 68 68 TYR CB C 68 41.249 40.573 0.676 1
1 730 . 13 1 1 A 68 68 TYR C C 68 174.846 174.524 0.322 1
1 732 . 13 1 1 A 69 69 ASN N N 69 122.429 123.732 -1.303 1
1 733 . 13 1 1 A 69 69 ASN H H 69 9.354 9.414 -0.060 1
1 734 . 13 1 1 A 69 69 ASN CA C 69 52.454 52.651 -0.197 1
1 735 . 13 1 1 A 69 69 ASN HA H 69 5.260 4.842 0.418 1
1 736 . 13 1 1 A 69 69 ASN CB C 69 40.922 39.447 1.475 1
1 741 . 13 1 1 A 69 69 ASN C C 69 174.835 174.288 0.547 1
1 743 . 13 1 1 A 70 70 VAL N N 70 131.599 126.035 5.564 1
1 744 . 13 1 1 A 70 70 VAL H H 70 9.157 8.126 1.031 1
1 745 . 13 1 1 A 70 70 VAL CA C 70 60.900 60.666 0.234 1
1 746 . 13 1 1 A 70 70 VAL HA H 70 4.910 5.165 -0.255 1
1 747 . 13 1 1 A 70 70 VAL CB C 70 31.882 33.770 -1.888 1
1 757 . 13 1 1 A 70 70 VAL C C 70 174.368 174.371 -0.003 1
1 758 . 13 1 1 A 71 71 THR N N 71 119.213 121.267 -2.054 1
1 759 . 13 1 1 A 71 71 THR H H 71 8.996 9.079 -0.083 1
1 760 . 13 1 1 A 71 71 THR CA C 71 59.796 61.268 -1.472 1
1 761 . 13 1 1 A 71 71 THR HA H 71 5.614 5.133 0.481 1
1 762 . 13 1 1 A 71 71 THR CB C 71 72.339 71.922 0.417 1
1 768 . 13 1 1 A 71 71 THR C C 71 173.260 173.284 -0.024 1
1 769 . 13 1 1 A 72 72 TYR N N 72 121.105 121.128 -0.023 1
1 770 . 13 1 1 A 72 72 TYR H H 72 9.200 8.502 0.698 1
1 771 . 13 1 1 A 72 72 TYR CA C 72 56.112 55.524 0.588 1
1 772 . 13 1 1 A 72 72 TYR HA H 72 5.600 5.594 0.006 1
1 773 . 13 1 1 A 72 72 TYR CB C 72 41.878 41.920 -0.042 1
1 783 . 13 1 1 A 72 72 TYR C C 72 173.176 173.237 -0.061 1
1 785 . 13 1 1 A 73 73 VAL N N 73 118.799 119.780 -0.981 1
1 786 . 13 1 1 A 73 73 VAL H H 73 8.214 8.705 -0.491 1
1 787 . 13 1 1 A 73 73 VAL CA C 73 61.111 61.693 -0.582 1
1 788 . 13 1 1 A 73 73 VAL HA H 73 4.514 4.801 -0.287 1
1 789 . 13 1 1 A 73 73 VAL CB C 73 35.729 35.340 0.389 1
1 799 . 13 1 1 A 73 73 VAL C C 73 175.529 175.187 0.342 1
1 800 . 13 1 1 A 74 74 VAL N N 74 121.061 122.508 -1.447 1
1 801 . 13 1 1 A 74 74 VAL H H 74 8.947 8.990 -0.043 1
1 802 . 13 1 1 A 74 74 VAL CA C 74 59.858 59.532 0.326 1
1 803 . 13 1 1 A 74 74 VAL HA H 74 4.785 4.939 -0.154 1
1 804 . 13 1 1 A 74 74 VAL CB C 74 32.795 34.496 -1.701 1
1 814 . 13 1 1 A 74 74 VAL C C 74 176.022 175.720 0.302 1
1 815 . 13 1 1 A 75 75 LYS N N 75 120.273 122.685 -2.412 1
1 816 . 13 1 1 A 75 75 LYS H H 75 9.404 8.868 0.536 1
1 817 . 13 1 1 A 75 75 LYS CA C 75 55.705 56.476 -0.771 1
1 818 . 13 1 1 A 75 75 LYS HA H 75 4.653 4.513 0.140 1
1 819 . 13 1 1 A 75 75 LYS CB C 75 34.767 33.031 1.736 1
1 827 . 13 1 1 A 75 75 LYS C C 75 175.025 176.459 -1.434 1
1 832 . 13 1 1 A 76 76 GLU N N 76 117.540 121.035 -3.495 1
1 833 . 13 1 1 A 76 76 GLU H H 76 7.224 7.757 -0.533 1
1 834 . 13 1 1 A 76 76 GLU CA C 76 54.893 55.215 -0.322 1
1 835 . 13 1 1 A 76 76 GLU HA H 76 4.747 4.971 -0.224 1
1 836 . 13 1 1 A 76 76 GLU CB C 76 33.199 32.936 0.263 1
1 840 . 13 1 1 A 76 76 GLU C C 76 175.664 175.472 0.192 1
1 843 . 13 1 1 A 77 77 ARG N N 77 125.564 122.727 2.837 1
1 844 . 13 1 1 A 77 77 ARG H H 77 8.906 8.552 0.354 1
1 845 . 13 1 1 A 77 77 ARG CA C 77 56.610 54.270 2.340 1
1 846 . 13 1 1 A 77 77 ARG HA H 77 4.234 5.201 -0.967 1
1 847 . 13 1 1 A 77 77 ARG CB C 77 31.036 33.342 -2.306 1
1 855 . 13 1 1 A 77 77 ARG C C 77 174.779 175.174 -0.395 1
1 859 . 13 1 1 A 78 78 GLY N N 78 108.773 106.460 2.313 1
1 860 . 13 1 1 A 78 78 GLY H H 78 8.928 8.368 0.560 1
1 861 . 13 1 1 A 78 78 GLY CA C 78 44.418 45.547 -1.129 1
1 862 . 13 1 1 A 78 78 GLY HA3 H 78 3.770 4.240 -0.470 1
1 863 . 13 1 1 A 78 78 GLY C C 78 171.452 172.185 -0.733 1
1 864 . 13 1 1 A 78 78 GLY HA2 H 78 4.467 4.198 0.269 1
1 865 . 13 1 1 A 79 79 ASP N N 79 120.109 122.758 -2.649 1
1 866 . 13 1 1 A 79 79 ASP H H 79 8.070 8.483 -0.413 1
1 867 . 13 1 1 A 79 79 ASP CA C 79 54.204 52.607 1.597 1
1 868 . 13 1 1 A 79 79 ASP HA H 79 5.344 5.539 -0.195 1
1 869 . 13 1 1 A 79 79 ASP CB C 79 42.148 42.126 0.022 1
1 871 . 13 1 1 A 79 79 ASP C C 79 175.474 174.505 0.969 1
1 873 . 13 1 1 A 80 80 TYR N N 80 121.969 123.390 -1.421 1
1 874 . 13 1 1 A 80 80 TYR H H 80 9.412 9.088 0.324 1
1 875 . 13 1 1 A 80 80 TYR CA C 80 56.872 56.284 0.588 1
1 876 . 13 1 1 A 80 80 TYR HA H 80 4.821 5.343 -0.522 1
1 877 . 13 1 1 A 80 80 TYR CB C 80 41.557 41.457 0.100 1
1 887 . 13 1 1 A 80 80 TYR C C 80 175.552 175.034 0.518 1
1 889 . 13 1 1 A 81 81 VAL N N 81 121.669 120.719 0.950 1
1 890 . 13 1 1 A 81 81 VAL H H 81 8.688 8.869 -0.181 1
1 891 . 13 1 1 A 81 81 VAL CA C 81 61.217 61.016 0.201 1
1 892 . 13 1 1 A 81 81 VAL HA H 81 4.606 5.105 -0.499 1
1 893 . 13 1 1 A 81 81 VAL CB C 81 33.990 35.084 -1.094 1
1 903 . 13 1 1 A 81 81 VAL C C 81 173.568 173.881 -0.313 1
1 904 . 13 1 1 A 82 82 LEU N N 82 129.806 130.436 -0.630 1
1 905 . 13 1 1 A 82 82 LEU H H 82 8.873 8.614 0.259 1
1 906 . 13 1 1 A 82 82 LEU CA C 82 53.321 53.770 -0.449 1
1 907 . 13 1 1 A 82 82 LEU HA H 82 5.150 4.894 0.256 1
1 908 . 13 1 1 A 82 82 LEU CB C 82 44.594 44.477 0.117 1
1 920 . 13 1 1 A 82 82 LEU C C 82 174.427 174.696 -0.269 1
1 922 . 13 1 1 A 83 83 ALA N N 83 128.482 128.650 -0.168 1
1 923 . 13 1 1 A 83 83 ALA H H 83 9.294 8.754 0.540 1
1 924 . 13 1 1 A 83 83 ALA CA C 83 50.133 50.788 -0.655 1
1 925 . 13 1 1 A 83 83 ALA HA H 83 5.081 5.250 -0.169 1
1 926 . 13 1 1 A 83 83 ALA CB C 83 21.500 21.661 -0.161 1
1 930 . 13 1 1 A 83 83 ALA C C 83 174.991 176.282 -1.291 1
1 931 . 13 1 1 A 84 84 VAL N N 84 121.691 123.714 -2.023 1
1 932 . 13 1 1 A 84 84 VAL H H 84 9.222 8.983 0.239 1
1 933 . 13 1 1 A 84 84 VAL CA C 84 61.324 61.145 0.179 1
1 934 . 13 1 1 A 84 84 VAL HA H 84 4.785 4.806 -0.021 1
1 935 . 13 1 1 A 84 84 VAL CB C 84 34.116 34.780 -0.664 1
1 945 . 13 1 1 A 84 84 VAL C C 84 174.156 174.686 -0.530 1
1 946 . 13 1 1 A 85 85 LYS N N 85 124.020 125.989 -1.969 1
1 947 . 13 1 1 A 85 85 LYS H H 85 9.193 8.477 0.716 1
1 948 . 13 1 1 A 85 85 LYS CA C 85 54.222 54.291 -0.069 1
1 949 . 13 1 1 A 85 85 LYS HA H 85 4.958 5.170 -0.212 1
1 950 . 13 1 1 A 85 85 LYS CB C 85 34.814 35.772 -0.958 1
1 958 . 13 1 1 A 85 85 LYS C C 85 173.704 175.147 -1.443 1
1 963 . 13 1 1 A 86 86 TRP N N 86 123.429 124.467 -1.038 1
1 964 . 13 1 1 A 86 86 TRP H H 86 8.623 8.790 -0.167 1
1 965 . 13 1 1 A 86 86 TRP CA C 86 53.803 56.476 -2.673 1
1 966 . 13 1 1 A 86 86 TRP HA H 86 5.583 4.936 0.647 1
1 967 . 13 1 1 A 86 86 TRP CB C 86 32.084 31.953 0.131 1
1 981 . 13 1 1 A 86 86 TRP C C 86 176.916 175.906 1.010 1
1 983 . 13 1 1 A 87 87 GLY N N 87 116.722 114.984 1.738 1
1 984 . 13 1 1 A 87 87 GLY H H 87 8.782 9.074 -0.292 1
1 985 . 13 1 1 A 87 87 GLY CA C 87 46.432 46.880 -0.448 1
1 986 . 13 1 1 A 87 87 GLY HA3 H 87 3.152 3.612 -0.460 1
1 987 . 13 1 1 A 87 87 GLY C C 87 173.838 174.097 -0.259 1
1 988 . 13 1 1 A 87 87 GLY HA2 H 87 3.732 3.492 0.240 1
1 989 . 13 1 1 A 88 88 GLU N N 88 122.405 110.584 11.821 1
1 990 . 13 1 1 A 88 88 GLU H H 88 8.592 8.427 0.165 1
1 991 . 13 1 1 A 88 88 GLU CA C 88 56.004 57.629 -1.625 1
1 992 . 13 1 1 A 88 88 GLU HA H 88 4.057 3.793 0.264 1
1 993 . 13 1 1 A 88 88 GLU CB C 88 29.764 27.406 2.358 1
1 997 . 13 1 1 A 88 88 GLU C C 88 176.465 174.858 1.607 1
1 1000 . 13 1 1 A 89 89 GLU N N 89 117.358 117.087 0.271 1
1 1001 . 13 1 1 A 89 89 GLU H H 89 7.226 7.577 -0.351 1
1 1002 . 13 1 1 A 89 89 GLU CA C 89 54.921 54.732 0.189 1
1 1003 . 13 1 1 A 89 89 GLU HA H 89 4.580 5.142 -0.562 1
1 1004 . 13 1 1 A 89 89 GLU CB C 89 33.160 34.190 -1.030 1
1 1008 . 13 1 1 A 89 89 GLU C C 89 175.674 174.772 0.902 1
1 1011 . 13 1 1 A 90 90 HIS N N 90 122.210 116.647 5.563 1
1 1012 . 13 1 1 A 90 90 HIS H H 90 8.603 8.822 -0.219 1
1 1013 . 13 1 1 A 90 90 HIS CA C 90 58.321 54.439 3.882 1
1 1014 . 13 1 1 A 90 90 HIS HA H 90 4.343 5.190 -0.847 1
1 1015 . 13 1 1 A 90 90 HIS CB C 90 32.786 31.622 1.164 1
1 1021 . 13 1 1 A 90 90 HIS C C 90 177.001 175.132 1.869 1
1 1023 . 13 1 1 A 91 91 ILE N N 91 117.760 123.159 -5.399 1
1 1024 . 13 1 1 A 91 91 ILE H H 91 8.289 8.200 0.089 1
1 1025 . 13 1 1 A 91 91 ILE CA C 91 61.019 60.316 0.703 1
1 1026 . 13 1 1 A 91 91 ILE HA H 91 4.482 4.192 0.290 1
1 1027 . 13 1 1 A 91 91 ILE CB C 91 35.655 37.929 -2.274 1
1 1039 . 13 1 1 A 91 91 ILE C C 91 173.231 175.592 -2.361 1
1 1041 . 13 1 1 A 92 92 PRO CA C 92 65.378 63.471 1.907 1
1 1042 . 13 1 1 A 92 92 PRO HA H 92 4.207 4.355 -0.148 1
1 1043 . 13 1 1 A 92 92 PRO CB C 92 31.301 31.009 0.292 1
1 1049 . 13 1 1 A 92 92 PRO C C 92 177.559 177.397 0.162 1
1 1053 . 13 1 1 A 93 93 GLY N N 93 115.174 113.251 1.923 1
1 1054 . 13 1 1 A 93 93 GLY H H 93 8.291 8.726 -0.435 1
1 1055 . 13 1 1 A 93 93 GLY CA C 93 44.729 44.877 -0.148 1
1 1056 . 13 1 1 A 93 93 GLY HA3 H 93 3.122 3.747 -0.625 1
1 1057 . 13 1 1 A 93 93 GLY C C 93 171.695 173.721 -2.026 1
1 1058 . 13 1 1 A 93 93 GLY HA2 H 93 4.116 3.718 0.398 1
1 1059 . 13 1 1 A 94 94 SER N N 94 112.948 117.435 -4.487 1
1 1060 . 13 1 1 A 94 94 SER H H 94 7.612 7.580 0.032 1
1 1061 . 13 1 1 A 94 94 SER CA C 94 54.585 55.380 -0.795 1
1 1062 . 13 1 1 A 94 94 SER HA H 94 4.002 4.592 -0.590 1
1 1063 . 13 1 1 A 94 94 SER CB C 94 62.348 64.275 -1.927 1
1 1065 . 13 1 1 A 94 94 SER C C 94 174.321 172.973 1.348 1
1 1067 . 13 1 1 A 95 95 PRO CA C 95 62.338 62.537 -0.199 1
1 1068 . 13 1 1 A 95 95 PRO HA H 95 5.296 4.906 0.390 1
1 1069 . 13 1 1 A 95 95 PRO CB C 95 33.730 32.681 1.049 1
1 1075 . 13 1 1 A 95 95 PRO C C 95 175.728 176.292 -0.564 1
1 1079 . 13 1 1 A 96 96 PHE N N 96 124.415 120.739 3.676 1
1 1080 . 13 1 1 A 96 96 PHE H H 96 9.643 8.565 1.078 1
1 1081 . 13 1 1 A 96 96 PHE CA C 96 57.405 57.458 -0.053 1
1 1082 . 13 1 1 A 96 96 PHE HA H 96 4.474 4.942 -0.468 1
1 1083 . 13 1 1 A 96 96 PHE CB C 96 40.160 40.826 -0.666 1
1 1095 . 13 1 1 A 96 96 PHE C C 96 175.736 175.346 0.390 1
1 1097 . 13 1 1 A 97 97 HIS N N 97 121.364 122.076 -0.712 1
1 1098 . 13 1 1 A 97 97 HIS H H 97 8.898 8.981 -0.083 1
1 1099 . 13 1 1 A 97 97 HIS CA C 97 55.214 54.940 0.274 1
1 1100 . 13 1 1 A 97 97 HIS HA H 97 5.124 5.224 -0.100 1
1 1101 . 13 1 1 A 97 97 HIS CB C 97 29.981 31.951 -1.970 1
1 1107 . 13 1 1 A 97 97 HIS C C 97 173.895 173.738 0.157 1
1 1109 . 13 1 1 A 98 98 VAL N N 98 127.912 128.004 -0.092 1
1 1110 . 13 1 1 A 98 98 VAL H H 98 8.582 9.153 -0.571 1
1 1111 . 13 1 1 A 98 98 VAL CA C 98 61.467 61.129 0.338 1
1 1112 . 13 1 1 A 98 98 VAL HA H 98 4.096 4.781 -0.685 1
1 1113 . 13 1 1 A 98 98 VAL CB C 98 35.455 34.244 1.211 1
1 1123 . 13 1 1 A 98 98 VAL C C 98 174.874 174.680 0.194 1
1 1124 . 13 1 1 A 99 99 THR N N 99 123.090 124.407 -1.317 1
1 1125 . 13 1 1 A 99 99 THR H H 99 8.117 8.581 -0.464 1
1 1126 . 13 1 1 A 99 99 THR CA C 99 62.031 61.645 0.386 1
1 1127 . 13 1 1 A 99 99 THR HA H 99 4.852 4.805 0.047 1
1 1128 . 13 1 1 A 99 99 THR CB C 99 70.661 70.644 0.017 1
1 1134 . 13 1 1 A 99 99 THR C C 99 173.264 173.753 -0.489 1
1 1135 . 13 1 1 A 100 100 VAL N N 100 129.827 126.793 3.034 1
1 1136 . 13 1 1 A 100 100 VAL H H 100 8.812 8.675 0.137 1
1 1137 . 13 1 1 A 100 100 VAL CA C 100 58.577 58.581 -0.004 1
1 1138 . 13 1 1 A 100 100 VAL HA H 100 5.053 4.592 0.461 1
1 1139 . 13 1 1 A 100 100 VAL CB C 100 33.365 34.520 -1.155 1
1 1149 . 13 1 1 A 100 100 VAL C C 100 174.927 174.156 0.771 1
1 1 . 14 1 1 A 6 6 SER CA C 6 58.666 57.066 1.600 1
1 2 . 14 1 1 A 6 6 SER HA H 6 4.514 4.833 -0.319 1
1 3 . 14 1 1 A 6 6 SER CB C 6 63.933 65.389 -1.456 1
1 5 . 14 1 1 A 6 6 SER C C 6 175.074 172.196 2.878 1
1 7 . 14 1 1 A 7 7 GLY N N 7 110.792 110.387 0.405 1
1 8 . 14 1 1 A 7 7 GLY H H 7 8.450 8.395 0.055 1
1 9 . 14 1 1 A 7 7 GLY CA C 7 45.406 45.746 -0.340 1
1 10 . 14 1 1 A 7 7 GLY HA3 H 7 4.052 4.181 -0.129 1
1 11 . 14 1 1 A 7 7 GLY C C 7 174.270 172.610 1.660 1
1 12 . 14 1 1 A 7 7 GLY HA2 H 7 4.052 4.175 -0.123 1
1 13 . 14 1 1 A 8 8 SER N N 8 115.558 116.336 -0.778 1
1 14 . 14 1 1 A 8 8 SER H H 8 8.274 8.432 -0.158 1
1 15 . 14 1 1 A 8 8 SER CA C 8 58.332 57.676 0.656 1
1 16 . 14 1 1 A 8 8 SER HA H 8 4.557 5.291 -0.734 1
1 17 . 14 1 1 A 8 8 SER CB C 8 63.930 66.313 -2.383 1
1 19 . 14 1 1 A 8 8 SER C C 8 174.064 173.041 1.023 1
1 21 . 14 1 1 A 9 9 SER N N 9 116.801 118.971 -2.170 1
1 22 . 14 1 1 A 9 9 SER H H 9 8.227 8.711 -0.484 1
1 23 . 14 1 1 A 9 9 SER CA C 9 58.075 58.220 -0.145 1
1 24 . 14 1 1 A 9 9 SER HA H 9 5.001 5.336 -0.335 1
1 25 . 14 1 1 A 9 9 SER CB C 9 64.491 65.823 -1.332 1
1 27 . 14 1 1 A 9 9 SER C C 9 174.318 172.605 1.713 1
1 29 . 14 1 1 A 10 10 ASP N N 10 122.324 126.381 -4.057 1
1 30 . 14 1 1 A 10 10 ASP H H 10 8.262 9.536 -1.274 1
1 31 . 14 1 1 A 10 10 ASP CA C 10 53.833 53.282 0.551 1
1 32 . 14 1 1 A 10 10 ASP HA H 10 4.892 5.251 -0.359 1
1 33 . 14 1 1 A 10 10 ASP CB C 10 41.497 43.355 -1.858 1
1 35 . 14 1 1 A 10 10 ASP C C 10 176.306 176.166 0.140 1
1 37 . 14 1 1 A 11 11 ALA N N 11 126.255 125.262 0.993 1
1 38 . 14 1 1 A 11 11 ALA H H 11 9.091 8.916 0.175 1
1 39 . 14 1 1 A 11 11 ALA CA C 11 54.713 54.584 0.129 1
1 40 . 14 1 1 A 11 11 ALA HA H 11 4.056 4.297 -0.241 1
1 41 . 14 1 1 A 11 11 ALA CB C 11 20.177 19.328 0.849 1
1 45 . 14 1 1 A 11 11 ALA C C 11 177.950 179.390 -1.440 1
1 46 . 14 1 1 A 12 12 SER N N 12 110.658 113.991 -3.333 1
1 47 . 14 1 1 A 12 12 SER H H 12 8.224 8.055 0.169 1
1 48 . 14 1 1 A 12 12 SER CA C 12 60.857 61.595 -0.738 1
1 49 . 14 1 1 A 12 12 SER HA H 12 4.240 4.215 0.025 1
1 50 . 14 1 1 A 12 12 SER CB C 12 62.964 63.067 -0.103 1
1 52 . 14 1 1 A 12 12 SER C C 12 175.312 176.245 -0.933 1
1 54 . 14 1 1 A 13 13 LYS N N 13 119.063 117.923 1.140 1
1 55 . 14 1 1 A 13 13 LYS H H 13 7.349 7.798 -0.449 1
1 56 . 14 1 1 A 13 13 LYS CA C 13 54.948 57.662 -2.714 1
1 57 . 14 1 1 A 13 13 LYS HA H 13 4.293 4.358 -0.065 1
1 58 . 14 1 1 A 13 13 LYS CB C 13 33.037 33.062 -0.025 1
1 66 . 14 1 1 A 13 13 LYS C C 13 177.263 177.500 -0.237 1
1 71 . 14 1 1 A 14 14 VAL N N 14 124.317 120.711 3.606 1
1 72 . 14 1 1 A 14 14 VAL H H 14 7.500 7.585 -0.085 1
1 73 . 14 1 1 A 14 14 VAL CA C 14 63.797 62.903 0.894 1
1 74 . 14 1 1 A 14 14 VAL HA H 14 3.870 3.756 0.114 1
1 75 . 14 1 1 A 14 14 VAL CB C 14 31.996 31.333 0.663 1
1 85 . 14 1 1 A 14 14 VAL C C 14 175.873 175.327 0.546 1
1 86 . 14 1 1 A 15 15 THR N N 15 117.704 119.312 -1.608 1
1 87 . 14 1 1 A 15 15 THR H H 15 8.197 8.551 -0.354 1
1 88 . 14 1 1 A 15 15 THR CA C 15 59.805 59.515 0.290 1
1 89 . 14 1 1 A 15 15 THR HA H 15 4.911 5.363 -0.452 1
1 90 . 14 1 1 A 15 15 THR CB C 15 71.373 71.499 -0.126 1
1 96 . 14 1 1 A 15 15 THR C C 15 172.695 174.116 -1.421 1
1 97 . 14 1 1 A 16 16 SER N N 16 113.256 118.404 -5.148 1
1 98 . 14 1 1 A 16 16 SER H H 16 8.442 9.150 -0.708 1
1 99 . 14 1 1 A 16 16 SER CA C 16 57.155 56.309 0.846 1
1 100 . 14 1 1 A 16 16 SER HA H 16 5.564 5.804 -0.240 1
1 101 . 14 1 1 A 16 16 SER CB C 16 66.124 65.949 0.175 1
1 103 . 14 1 1 A 16 16 SER C C 16 173.455 173.771 -0.316 1
1 105 . 14 1 1 A 17 17 LYS N N 17 117.543 120.580 -3.037 1
1 106 . 14 1 1 A 17 17 LYS H H 17 8.870 9.140 -0.270 1
1 107 . 14 1 1 A 17 17 LYS CA C 17 56.063 54.340 1.723 1
1 108 . 14 1 1 A 17 17 LYS HA H 17 4.673 5.150 -0.477 1
1 109 . 14 1 1 A 17 17 LYS CB C 17 35.602 36.231 -0.629 1
1 117 . 14 1 1 A 17 17 LYS C C 17 174.625 175.057 -0.432 1
1 122 . 14 1 1 A 18 18 GLY N N 18 110.702 107.906 2.796 1
1 123 . 14 1 1 A 18 18 GLY H H 18 8.746 8.496 0.250 1
1 124 . 14 1 1 A 18 18 GLY CA C 18 44.501 44.409 0.092 1
1 125 . 14 1 1 A 18 18 GLY HA3 H 18 3.998 4.274 -0.276 1
1 126 . 14 1 1 A 18 18 GLY C C 18 175.460 174.447 1.013 1
1 127 . 14 1 1 A 18 18 GLY HA2 H 18 4.947 4.238 0.709 1
1 128 . 14 1 1 A 19 19 ALA CA C 19 55.387 54.769 0.618 1
1 129 . 14 1 1 A 19 19 ALA HA H 19 4.229 4.182 0.047 1
1 130 . 14 1 1 A 19 19 ALA CB C 19 18.689 18.927 -0.238 1
1 134 . 14 1 1 A 19 19 ALA C C 19 179.606 179.832 -0.226 1
1 135 . 14 1 1 A 20 20 GLY N N 20 101.587 107.127 -5.540 1
1 136 . 14 1 1 A 20 20 GLY H H 20 8.466 8.276 0.190 1
1 137 . 14 1 1 A 20 20 GLY CA C 20 46.078 47.148 -1.070 1
1 138 . 14 1 1 A 20 20 GLY HA3 H 20 3.596 3.863 -0.267 1
1 139 . 14 1 1 A 20 20 GLY C C 20 173.214 176.432 -3.218 1
1 140 . 14 1 1 A 20 20 GLY HA2 H 20 4.689 3.846 0.843 1
1 141 . 14 1 1 A 21 21 LEU N N 21 115.987 122.934 -6.947 1
1 142 . 14 1 1 A 21 21 LEU H H 21 6.928 7.936 -1.008 1
1 143 . 14 1 1 A 21 21 LEU CA C 21 55.567 57.151 -1.584 1
1 144 . 14 1 1 A 21 21 LEU HA H 21 3.404 3.768 -0.364 1
1 145 . 14 1 1 A 21 21 LEU CB C 21 41.702 40.853 0.849 1
1 157 . 14 1 1 A 21 21 LEU C C 21 175.989 179.451 -3.462 1
1 159 . 14 1 1 A 22 22 SER N N 22 106.483 113.156 -6.673 1
1 160 . 14 1 1 A 22 22 SER H H 22 7.808 8.105 -0.297 1
1 161 . 14 1 1 A 22 22 SER CA C 22 58.956 60.944 -1.988 1
1 162 . 14 1 1 A 22 22 SER HA H 22 4.901 4.465 0.436 1
1 163 . 14 1 1 A 22 22 SER CB C 22 66.238 63.733 2.505 1
1 165 . 14 1 1 A 22 22 SER C C 22 174.051 174.153 -0.102 1
1 167 . 14 1 1 A 23 23 LYS N N 23 124.757 115.185 9.572 1
1 168 . 14 1 1 A 23 23 LYS H H 23 8.399 8.058 0.341 1
1 169 . 14 1 1 A 23 23 LYS CA C 23 55.676 54.956 0.720 1
1 170 . 14 1 1 A 23 23 LYS HA H 23 4.973 4.716 0.257 1
1 171 . 14 1 1 A 23 23 LYS CB C 23 36.338 35.817 0.521 1
1 179 . 14 1 1 A 23 23 LYS C C 23 173.136 174.132 -0.996 1
1 184 . 14 1 1 A 24 24 ALA N N 24 123.565 121.660 1.905 1
1 185 . 14 1 1 A 24 24 ALA H H 24 7.541 8.751 -1.210 1
1 186 . 14 1 1 A 24 24 ALA CA C 24 51.148 50.686 0.462 1
1 187 . 14 1 1 A 24 24 ALA HA H 24 4.256 5.499 -1.243 1
1 188 . 14 1 1 A 24 24 ALA CB C 24 22.019 24.001 -1.982 1
1 192 . 14 1 1 A 24 24 ALA C C 24 173.515 175.657 -2.142 1
1 193 . 14 1 1 A 25 25 PHE N N 25 114.269 114.784 -0.515 1
1 194 . 14 1 1 A 25 25 PHE H H 25 7.858 8.912 -1.054 1
1 195 . 14 1 1 A 25 25 PHE CA C 25 55.809 56.572 -0.763 1
1 196 . 14 1 1 A 25 25 PHE HA H 25 5.191 4.966 0.225 1
1 197 . 14 1 1 A 25 25 PHE CB C 25 41.943 42.741 -0.798 1
1 209 . 14 1 1 A 25 25 PHE C C 25 177.046 175.403 1.643 1
1 211 . 14 1 1 A 26 26 VAL N N 26 123.270 123.067 0.203 1
1 212 . 14 1 1 A 26 26 VAL H H 26 9.338 8.635 0.703 1
1 213 . 14 1 1 A 26 26 VAL CA C 26 65.054 65.288 -0.234 1
1 214 . 14 1 1 A 26 26 VAL HA H 26 3.441 3.627 -0.186 1
1 215 . 14 1 1 A 26 26 VAL CB C 26 31.757 31.464 0.293 1
1 225 . 14 1 1 A 26 26 VAL C C 26 178.201 177.251 0.950 1
1 226 . 14 1 1 A 27 27 GLY N N 27 112.668 114.928 -2.260 1
1 227 . 14 1 1 A 27 27 GLY H H 27 8.862 9.113 -0.251 1
1 228 . 14 1 1 A 27 27 GLY CA C 27 45.857 45.195 0.662 1
1 229 . 14 1 1 A 27 27 GLY HA3 H 27 4.229 4.023 0.206 1
1 230 . 14 1 1 A 27 27 GLY C C 27 173.411 174.229 -0.818 1
1 231 . 14 1 1 A 27 27 GLY HA2 H 27 3.631 4.022 -0.391 1
1 232 . 14 1 1 A 28 28 GLN N N 28 118.568 120.728 -2.160 1
1 233 . 14 1 1 A 28 28 GLN H H 28 7.755 8.026 -0.271 1
1 234 . 14 1 1 A 28 28 GLN CA C 28 53.825 56.525 -2.700 1
1 235 . 14 1 1 A 28 28 GLN HA H 28 4.690 4.316 0.374 1
1 236 . 14 1 1 A 28 28 GLN CB C 28 30.975 30.132 0.843 1
1 243 . 14 1 1 A 28 28 GLN C C 28 175.517 174.376 1.141 1
1 246 . 14 1 1 A 29 29 LYS N N 29 123.598 123.224 0.374 1
1 247 . 14 1 1 A 29 29 LYS H H 29 8.839 8.365 0.474 1
1 248 . 14 1 1 A 29 29 LYS CA C 29 57.587 54.511 3.076 1
1 249 . 14 1 1 A 29 29 LYS HA H 29 4.158 4.793 -0.635 1
1 250 . 14 1 1 A 29 29 LYS CB C 29 32.381 34.269 -1.888 1
1 258 . 14 1 1 A 29 29 LYS C C 29 176.190 174.640 1.550 1
1 263 . 14 1 1 A 30 30 SER N N 30 124.030 125.182 -1.152 1
1 264 . 14 1 1 A 30 30 SER H H 30 8.694 8.391 0.303 1
1 265 . 14 1 1 A 30 30 SER CA C 30 57.560 58.254 -0.694 1
1 266 . 14 1 1 A 30 30 SER HA H 30 4.758 4.920 -0.162 1
1 267 . 14 1 1 A 30 30 SER CB C 30 64.143 64.219 -0.076 1
1 269 . 14 1 1 A 30 30 SER C C 30 173.413 173.546 -0.133 1
1 271 . 14 1 1 A 31 31 SER N N 31 116.828 118.620 -1.792 1
1 272 . 14 1 1 A 31 31 SER H H 31 8.894 8.650 0.244 1
1 273 . 14 1 1 A 31 31 SER CA C 31 57.132 55.697 1.435 1
1 274 . 14 1 1 A 31 31 SER HA H 31 6.181 5.226 0.955 1
1 275 . 14 1 1 A 31 31 SER CB C 31 67.745 66.548 1.197 1
1 277 . 14 1 1 A 31 31 SER C C 31 174.171 173.514 0.657 1
1 279 . 14 1 1 A 32 32 PHE N N 32 117.724 116.940 0.784 1
1 280 . 14 1 1 A 32 32 PHE H H 32 8.853 8.415 0.438 1
1 281 . 14 1 1 A 32 32 PHE CA C 32 57.190 56.161 1.029 1
1 282 . 14 1 1 A 32 32 PHE HA H 32 5.016 5.402 -0.386 1
1 283 . 14 1 1 A 32 32 PHE CB C 32 40.712 41.962 -1.250 1
1 295 . 14 1 1 A 32 32 PHE C C 32 170.765 172.197 -1.432 1
1 297 . 14 1 1 A 33 33 LEU N N 33 121.533 124.226 -2.693 1
1 298 . 14 1 1 A 33 33 LEU H H 33 9.223 9.368 -0.145 1
1 299 . 14 1 1 A 33 33 LEU CA C 33 53.636 53.783 -0.147 1
1 300 . 14 1 1 A 33 33 LEU HA H 33 5.531 5.017 0.514 1
1 301 . 14 1 1 A 33 33 LEU CB C 33 46.278 45.001 1.277 1
1 313 . 14 1 1 A 33 33 LEU C C 33 176.559 174.497 2.062 1
1 315 . 14 1 1 A 34 34 VAL N N 34 123.140 126.752 -3.612 1
1 316 . 14 1 1 A 34 34 VAL H H 34 9.257 8.785 0.472 1
1 317 . 14 1 1 A 34 34 VAL CA C 34 61.182 61.473 -0.291 1
1 318 . 14 1 1 A 34 34 VAL HA H 34 4.785 4.768 0.017 1
1 319 . 14 1 1 A 34 34 VAL CB C 34 34.589 33.172 1.417 1
1 329 . 14 1 1 A 34 34 VAL C C 34 174.370 173.820 0.550 1
1 330 . 14 1 1 A 35 35 ASP N N 35 126.353 128.407 -2.054 1
1 331 . 14 1 1 A 35 35 ASP H H 35 9.312 9.269 0.043 1
1 332 . 14 1 1 A 35 35 ASP CA C 35 53.298 53.066 0.232 1
1 333 . 14 1 1 A 35 35 ASP HA H 35 5.229 4.781 0.448 1
1 334 . 14 1 1 A 35 35 ASP CB C 35 41.538 40.917 0.621 1
1 336 . 14 1 1 A 35 35 ASP C C 35 176.980 176.138 0.842 1
1 338 . 14 1 1 A 36 36 CYS N N 36 125.342 123.712 1.630 1
1 339 . 14 1 1 A 36 36 CYS H H 36 9.275 8.457 0.818 1
1 340 . 14 1 1 A 36 36 CYS CA C 36 57.367 57.686 -0.319 1
1 341 . 14 1 1 A 36 36 CYS HA H 36 4.374 4.630 -0.256 1
1 342 . 14 1 1 A 36 36 CYS CB C 36 28.369 27.070 1.299 1
1 344 . 14 1 1 A 36 36 CYS C C 36 177.015 175.722 1.293 1
1 346 . 14 1 1 A 37 37 SER N N 37 119.973 117.090 2.883 1
1 347 . 14 1 1 A 37 37 SER H H 37 9.039 7.735 1.304 1
1 348 . 14 1 1 A 37 37 SER CA C 37 62.787 61.532 1.255 1
1 349 . 14 1 1 A 37 37 SER HA H 37 3.932 4.177 -0.245 1
1 350 . 14 1 1 A 37 37 SER CB C 37 62.982 63.198 -0.216 1
1 352 . 14 1 1 A 37 37 SER C C 37 176.290 176.240 0.050 1
1 354 . 14 1 1 A 38 38 LYS N N 38 120.815 119.528 1.287 1
1 355 . 14 1 1 A 38 38 LYS H H 38 8.676 8.160 0.516 1
1 356 . 14 1 1 A 38 38 LYS CA C 38 55.123 55.612 -0.489 1
1 357 . 14 1 1 A 38 38 LYS HA H 38 4.730 4.593 0.137 1
1 358 . 14 1 1 A 38 38 LYS CB C 38 32.250 32.316 -0.066 1
1 366 . 14 1 1 A 38 38 LYS C C 38 176.385 176.721 -0.336 1
1 371 . 14 1 1 A 39 39 ALA N N 39 121.594 121.368 0.226 1
1 372 . 14 1 1 A 39 39 ALA H H 39 7.322 7.774 -0.452 1
1 373 . 14 1 1 A 39 39 ALA CA C 39 52.127 53.467 -1.340 1
1 374 . 14 1 1 A 39 39 ALA HA H 39 4.436 4.333 0.103 1
1 375 . 14 1 1 A 39 39 ALA CB C 39 21.347 20.089 1.258 1
1 379 . 14 1 1 A 39 39 ALA C C 39 177.453 177.437 0.016 1
1 380 . 14 1 1 A 40 40 GLY N N 40 111.873 102.442 9.431 1
1 381 . 14 1 1 A 40 40 GLY H H 40 8.755 7.451 1.304 1
1 382 . 14 1 1 A 40 40 GLY CA C 40 45.619 45.666 -0.047 1
1 383 . 14 1 1 A 40 40 GLY HA3 H 40 4.329 4.368 -0.039 1
1 384 . 14 1 1 A 40 40 GLY C C 40 173.801 173.060 0.741 1
1 385 . 14 1 1 A 40 40 GLY HA2 H 40 3.754 4.204 -0.450 1
1 386 . 14 1 1 A 41 41 SER N N 41 117.149 116.892 0.257 1
1 387 . 14 1 1 A 41 41 SER H H 41 8.524 8.584 -0.060 1
1 388 . 14 1 1 A 41 41 SER CA C 41 56.849 57.831 -0.982 1
1 389 . 14 1 1 A 41 41 SER HA H 41 5.010 4.863 0.147 1
1 390 . 14 1 1 A 41 41 SER CB C 41 63.917 63.180 0.737 1
1 392 . 14 1 1 A 41 41 SER C C 41 172.603 173.509 -0.906 1
1 394 . 14 1 1 A 42 42 ASN N N 42 125.590 120.229 5.361 1
1 395 . 14 1 1 A 42 42 ASN H H 42 7.155 7.897 -0.742 1
1 396 . 14 1 1 A 42 42 ASN CA C 42 50.805 51.009 -0.204 1
1 397 . 14 1 1 A 42 42 ASN HA H 42 3.256 4.697 -1.441 1
1 398 . 14 1 1 A 42 42 ASN CB C 42 39.354 39.916 -0.562 1
1 403 . 14 1 1 A 42 42 ASN C C 42 170.908 174.425 -3.517 1
1 405 . 14 1 1 A 43 43 MET N N 43 115.129 120.211 -5.082 1
1 406 . 14 1 1 A 43 43 MET H H 43 8.366 8.029 0.337 1
1 407 . 14 1 1 A 43 43 MET CA C 43 53.424 53.161 0.263 1
1 408 . 14 1 1 A 43 43 MET HA H 43 4.102 5.169 -1.067 1
1 409 . 14 1 1 A 43 43 MET CB C 43 35.572 34.913 0.659 1
1 417 . 14 1 1 A 43 43 MET C C 43 173.140 174.481 -1.341 1
1 420 . 14 1 1 A 44 44 LEU N N 44 128.038 123.938 4.100 1
1 421 . 14 1 1 A 44 44 LEU H H 44 8.300 8.592 -0.292 1
1 422 . 14 1 1 A 44 44 LEU CA C 44 53.806 53.373 0.433 1
1 423 . 14 1 1 A 44 44 LEU HA H 44 5.331 5.292 0.039 1
1 424 . 14 1 1 A 44 44 LEU CB C 44 43.598 44.154 -0.556 1
1 436 . 14 1 1 A 44 44 LEU C C 44 175.236 175.618 -0.382 1
1 438 . 14 1 1 A 45 45 LEU N N 45 126.999 122.039 4.960 1
1 439 . 14 1 1 A 45 45 LEU H H 45 9.109 8.494 0.615 1
1 440 . 14 1 1 A 45 45 LEU CA C 45 54.800 52.546 2.254 1
1 441 . 14 1 1 A 45 45 LEU HA H 45 5.135 5.345 -0.210 1
1 442 . 14 1 1 A 45 45 LEU CB C 45 45.499 46.070 -0.571 1
1 454 . 14 1 1 A 45 45 LEU C C 45 175.167 175.627 -0.460 1
1 456 . 14 1 1 A 46 46 ILE N N 46 118.172 119.753 -1.581 1
1 457 . 14 1 1 A 46 46 ILE H H 46 7.966 8.617 -0.651 1
1 458 . 14 1 1 A 46 46 ILE CA C 46 58.091 59.417 -1.326 1
1 459 . 14 1 1 A 46 46 ILE HA H 46 5.412 5.094 0.318 1
1 460 . 14 1 1 A 46 46 ILE CB C 46 41.988 41.932 0.056 1
1 472 . 14 1 1 A 46 46 ILE C C 46 174.748 175.401 -0.653 1
1 474 . 14 1 1 A 47 47 GLY N N 47 110.148 115.119 -4.971 1
1 475 . 14 1 1 A 47 47 GLY H H 47 8.554 8.552 0.002 1
1 476 . 14 1 1 A 47 47 GLY CA C 47 46.136 46.028 0.108 1
1 477 . 14 1 1 A 47 47 GLY HA3 H 47 4.604 4.202 0.402 1
1 478 . 14 1 1 A 47 47 GLY C C 47 171.583 172.892 -1.309 1
1 479 . 14 1 1 A 47 47 GLY HA2 H 47 3.933 4.198 -0.265 1
1 480 . 14 1 1 A 48 48 VAL N N 48 120.434 118.128 2.306 1
1 481 . 14 1 1 A 48 48 VAL H H 48 9.048 7.679 1.369 1
1 482 . 14 1 1 A 48 48 VAL CA C 48 61.060 62.198 -1.138 1
1 483 . 14 1 1 A 48 48 VAL HA H 48 5.143 4.113 1.030 1
1 484 . 14 1 1 A 48 48 VAL CB C 48 34.976 32.025 2.951 1
1 494 . 14 1 1 A 48 48 VAL C C 48 175.260 175.750 -0.490 1
1 495 . 14 1 1 A 49 49 HIS N N 49 127.718 124.330 3.388 1
1 496 . 14 1 1 A 49 49 HIS H H 49 9.556 8.979 0.577 1
1 497 . 14 1 1 A 49 49 HIS CA C 49 55.342 54.610 0.732 1
1 498 . 14 1 1 A 49 49 HIS HA H 49 4.987 5.006 -0.019 1
1 499 . 14 1 1 A 49 49 HIS CB C 49 34.476 31.340 3.136 1
1 505 . 14 1 1 A 49 49 HIS C C 49 173.822 175.211 -1.389 1
1 507 . 14 1 1 A 50 50 GLY N N 50 115.577 111.492 4.085 1
1 508 . 14 1 1 A 50 50 GLY H H 50 8.192 8.677 -0.485 1
1 509 . 14 1 1 A 50 50 GLY CA C 50 44.693 45.952 -1.259 1
1 510 . 14 1 1 A 50 50 GLY HA3 H 50 3.247 4.393 -1.146 1
1 511 . 14 1 1 A 50 50 GLY C C 50 171.437 173.575 -2.138 1
1 512 . 14 1 1 A 50 50 GLY HA2 H 50 3.722 4.385 -0.663 1
1 513 . 14 1 1 A 51 51 PRO CA C 51 64.376 64.783 -0.407 1
1 514 . 14 1 1 A 51 51 PRO HA H 51 4.104 4.438 -0.334 1
1 515 . 14 1 1 A 51 51 PRO CB C 51 32.141 32.054 0.087 1
1 521 . 14 1 1 A 51 51 PRO C C 51 177.607 177.991 -0.384 1
1 525 . 14 1 1 A 52 52 THR N N 52 109.088 109.703 -0.615 1
1 526 . 14 1 1 A 52 52 THR H H 52 8.447 8.342 0.105 1
1 527 . 14 1 1 A 52 52 THR CA C 52 62.861 63.569 -0.708 1
1 528 . 14 1 1 A 52 52 THR HA H 52 4.424 4.664 -0.240 1
1 529 . 14 1 1 A 52 52 THR CB C 52 70.329 71.633 -1.304 1
1 535 . 14 1 1 A 52 52 THR C C 52 174.926 174.107 0.819 1
1 536 . 14 1 1 A 53 53 THR N N 53 118.915 110.838 8.077 1
1 537 . 14 1 1 A 53 53 THR H H 53 7.983 7.874 0.109 1
1 538 . 14 1 1 A 53 53 THR CA C 53 59.878 58.676 1.202 1
1 539 . 14 1 1 A 53 53 THR HA H 53 4.751 4.746 0.005 1
1 540 . 14 1 1 A 53 53 THR CB C 53 71.034 70.278 0.756 1
1 546 . 14 1 1 A 53 53 THR C C 53 172.019 172.697 -0.678 1
1 547 . 14 1 1 A 54 54 PRO CA C 54 62.614 62.290 0.324 1
1 548 . 14 1 1 A 54 54 PRO HA H 54 4.629 4.619 0.010 1
1 549 . 14 1 1 A 54 54 PRO CB C 54 32.845 32.775 0.070 1
1 555 . 14 1 1 A 54 54 PRO C C 54 177.751 176.566 1.185 1
1 559 . 14 1 1 A 55 55 CYS N N 55 121.538 119.095 2.443 1
1 560 . 14 1 1 A 55 55 CYS H H 55 8.938 8.293 0.645 1
1 561 . 14 1 1 A 55 55 CYS CA C 55 60.342 57.595 2.747 1
1 562 . 14 1 1 A 55 55 CYS HA H 55 4.563 4.713 -0.150 1
1 563 . 14 1 1 A 55 55 CYS CB C 55 27.534 29.872 -2.338 1
1 565 . 14 1 1 A 55 55 CYS C C 55 174.437 175.986 -1.549 1
1 567 . 14 1 1 A 56 56 GLU N N 56 124.530 123.360 1.170 1
1 568 . 14 1 1 A 56 56 GLU H H 56 8.450 8.767 -0.317 1
1 569 . 14 1 1 A 56 56 GLU CA C 56 59.363 59.216 0.147 1
1 570 . 14 1 1 A 56 56 GLU HA H 56 4.471 4.239 0.232 1
1 571 . 14 1 1 A 56 56 GLU CB C 56 31.217 30.523 0.694 1
1 575 . 14 1 1 A 56 56 GLU C C 56 176.847 176.482 0.365 1
1 578 . 14 1 1 A 57 57 GLU N N 57 114.661 113.954 0.707 1
1 579 . 14 1 1 A 57 57 GLU H H 57 7.478 7.753 -0.275 1
1 580 . 14 1 1 A 57 57 GLU CA C 57 55.551 55.513 0.038 1
1 581 . 14 1 1 A 57 57 GLU HA H 57 5.414 4.698 0.716 1
1 582 . 14 1 1 A 57 57 GLU CB C 57 34.084 31.808 2.276 1
1 586 . 14 1 1 A 57 57 GLU C C 57 174.400 173.883 0.517 1
1 589 . 14 1 1 A 58 58 VAL N N 58 123.611 120.721 2.890 1
1 590 . 14 1 1 A 58 58 VAL H H 58 8.605 8.486 0.119 1
1 591 . 14 1 1 A 58 58 VAL CA C 58 62.048 61.712 0.336 1
1 592 . 14 1 1 A 58 58 VAL HA H 58 4.941 4.811 0.130 1
1 593 . 14 1 1 A 58 58 VAL CB C 58 35.700 34.462 1.238 1
1 603 . 14 1 1 A 58 58 VAL C C 58 174.426 174.412 0.014 1
1 604 . 14 1 1 A 59 59 SER N N 59 121.592 123.688 -2.096 1
1 605 . 14 1 1 A 59 59 SER H H 59 9.635 9.004 0.631 1
1 606 . 14 1 1 A 59 59 SER CA C 59 57.012 56.791 0.221 1
1 607 . 14 1 1 A 59 59 SER HA H 59 5.526 4.915 0.611 1
1 608 . 14 1 1 A 59 59 SER CB C 59 65.896 64.051 1.845 1
1 610 . 14 1 1 A 59 59 SER C C 59 172.465 173.321 -0.856 1
1 612 . 14 1 1 A 60 60 MET N N 60 122.508 127.693 -5.185 1
1 613 . 14 1 1 A 60 60 MET H H 60 9.435 9.085 0.350 1
1 614 . 14 1 1 A 60 60 MET CA C 60 54.541 53.898 0.643 1
1 615 . 14 1 1 A 60 60 MET HA H 60 5.352 5.709 -0.357 1
1 616 . 14 1 1 A 60 60 MET CB C 60 37.420 34.336 3.084 1
1 624 . 14 1 1 A 60 60 MET C C 60 174.616 174.965 -0.349 1
1 627 . 14 1 1 A 61 61 LYS N N 61 125.580 123.708 1.872 1
1 628 . 14 1 1 A 61 61 LYS H H 61 8.963 9.304 -0.341 1
1 629 . 14 1 1 A 61 61 LYS CA C 61 54.688 54.792 -0.104 1
1 630 . 14 1 1 A 61 61 LYS HA H 61 5.396 4.965 0.431 1
1 631 . 14 1 1 A 61 61 LYS CB C 61 36.412 36.377 0.035 1
1 639 . 14 1 1 A 61 61 LYS C C 61 175.548 175.057 0.491 1
1 644 . 14 1 1 A 62 62 HIS N N 62 125.822 124.371 1.451 1
1 645 . 14 1 1 A 62 62 HIS H H 62 8.967 8.964 0.003 1
1 646 . 14 1 1 A 62 62 HIS CA C 62 55.674 53.873 1.801 1
1 647 . 14 1 1 A 62 62 HIS HA H 62 4.621 4.696 -0.075 1
1 648 . 14 1 1 A 62 62 HIS CB C 62 29.732 29.114 0.618 1
1 654 . 14 1 1 A 62 62 HIS C C 62 175.912 174.930 0.982 1
1 656 . 14 1 1 A 63 63 VAL N N 63 124.131 123.877 0.254 1
1 657 . 14 1 1 A 63 63 VAL H H 63 8.633 8.251 0.382 1
1 658 . 14 1 1 A 63 63 VAL CA C 63 61.288 63.992 -2.704 1
1 659 . 14 1 1 A 63 63 VAL HA H 63 4.299 3.669 0.630 1
1 660 . 14 1 1 A 63 63 VAL CB C 63 30.964 32.419 -1.455 1
1 670 . 14 1 1 A 63 63 VAL C C 63 175.339 175.432 -0.093 1
1 671 . 14 1 1 A 64 64 GLY N N 64 108.087 110.204 -2.117 1
1 672 . 14 1 1 A 64 64 GLY H H 64 5.406 6.980 -1.574 1
1 673 . 14 1 1 A 64 64 GLY CA C 64 44.979 43.717 1.262 1
1 674 . 14 1 1 A 64 64 GLY HA3 H 64 3.118 3.745 -0.627 1
1 675 . 14 1 1 A 64 64 GLY C C 64 174.125 173.999 0.126 1
1 676 . 14 1 1 A 64 64 GLY HA2 H 64 4.287 3.145 1.142 1
1 677 . 14 1 1 A 65 65 ASN N N 65 118.292 117.496 0.796 1
1 678 . 14 1 1 A 65 65 ASN H H 65 9.260 9.299 -0.039 1
1 679 . 14 1 1 A 65 65 ASN CA C 65 54.643 54.511 0.132 1
1 680 . 14 1 1 A 65 65 ASN HA H 65 4.401 4.401 0.000 1
1 681 . 14 1 1 A 65 65 ASN CB C 65 37.695 36.864 0.831 1
1 686 . 14 1 1 A 65 65 ASN C C 65 174.079 174.679 -0.600 1
1 688 . 14 1 1 A 66 66 GLN N N 66 111.325 108.999 2.326 1
1 689 . 14 1 1 A 66 66 GLN H H 66 10.512 8.535 1.977 1
1 690 . 14 1 1 A 66 66 GLN CA C 66 57.009 57.351 -0.342 1
1 691 . 14 1 1 A 66 66 GLN HA H 66 3.713 3.937 -0.224 1
1 692 . 14 1 1 A 66 66 GLN CB C 66 24.986 26.610 -1.624 1
1 699 . 14 1 1 A 66 66 GLN C C 66 173.896 174.239 -0.343 1
1 702 . 14 1 1 A 67 67 GLN N N 67 115.692 117.489 -1.797 1
1 703 . 14 1 1 A 67 67 GLN H H 67 7.492 7.758 -0.266 1
1 704 . 14 1 1 A 67 67 GLN CA C 67 54.496 54.654 -0.158 1
1 705 . 14 1 1 A 67 67 GLN HA H 67 5.400 4.845 0.555 1
1 706 . 14 1 1 A 67 67 GLN CB C 67 29.896 31.116 -1.220 1
1 713 . 14 1 1 A 67 67 GLN C C 67 175.043 174.332 0.711 1
1 716 . 14 1 1 A 68 68 TYR N N 68 121.249 122.251 -1.002 1
1 717 . 14 1 1 A 68 68 TYR H H 68 9.573 9.003 0.570 1
1 718 . 14 1 1 A 68 68 TYR CA C 68 56.443 56.708 -0.265 1
1 719 . 14 1 1 A 68 68 TYR HA H 68 5.417 5.357 0.060 1
1 720 . 14 1 1 A 68 68 TYR CB C 68 41.249 40.305 0.944 1
1 730 . 14 1 1 A 68 68 TYR C C 68 174.846 174.702 0.144 1
1 732 . 14 1 1 A 69 69 ASN N N 69 122.429 123.952 -1.523 1
1 733 . 14 1 1 A 69 69 ASN H H 69 9.354 9.408 -0.054 1
1 734 . 14 1 1 A 69 69 ASN CA C 69 52.454 52.881 -0.427 1
1 735 . 14 1 1 A 69 69 ASN HA H 69 5.260 4.875 0.385 1
1 736 . 14 1 1 A 69 69 ASN CB C 69 40.922 39.726 1.196 1
1 741 . 14 1 1 A 69 69 ASN C C 69 174.835 174.212 0.623 1
1 743 . 14 1 1 A 70 70 VAL N N 70 131.599 125.952 5.647 1
1 744 . 14 1 1 A 70 70 VAL H H 70 9.157 8.046 1.111 1
1 745 . 14 1 1 A 70 70 VAL CA C 70 60.900 60.551 0.349 1
1 746 . 14 1 1 A 70 70 VAL HA H 70 4.910 5.174 -0.264 1
1 747 . 14 1 1 A 70 70 VAL CB C 70 31.882 33.978 -2.096 1
1 757 . 14 1 1 A 70 70 VAL C C 70 174.368 174.414 -0.046 1
1 758 . 14 1 1 A 71 71 THR N N 71 119.213 121.286 -2.073 1
1 759 . 14 1 1 A 71 71 THR H H 71 8.996 8.624 0.372 1
1 760 . 14 1 1 A 71 71 THR CA C 71 59.796 61.065 -1.269 1
1 761 . 14 1 1 A 71 71 THR HA H 71 5.614 5.067 0.547 1
1 762 . 14 1 1 A 71 71 THR CB C 71 72.339 71.872 0.467 1
1 768 . 14 1 1 A 71 71 THR C C 71 173.260 173.265 -0.005 1
1 769 . 14 1 1 A 72 72 TYR N N 72 121.105 121.168 -0.063 1
1 770 . 14 1 1 A 72 72 TYR H H 72 9.200 8.485 0.715 1
1 771 . 14 1 1 A 72 72 TYR CA C 72 56.112 55.473 0.639 1
1 772 . 14 1 1 A 72 72 TYR HA H 72 5.600 5.723 -0.123 1
1 773 . 14 1 1 A 72 72 TYR CB C 72 41.878 41.864 0.014 1
1 783 . 14 1 1 A 72 72 TYR C C 72 173.176 173.236 -0.060 1
1 785 . 14 1 1 A 73 73 VAL N N 73 118.799 119.620 -0.821 1
1 786 . 14 1 1 A 73 73 VAL H H 73 8.214 8.776 -0.562 1
1 787 . 14 1 1 A 73 73 VAL CA C 73 61.111 61.583 -0.472 1
1 788 . 14 1 1 A 73 73 VAL HA H 73 4.514 4.833 -0.319 1
1 789 . 14 1 1 A 73 73 VAL CB C 73 35.729 35.406 0.323 1
1 799 . 14 1 1 A 73 73 VAL C C 73 175.529 175.064 0.465 1
1 800 . 14 1 1 A 74 74 VAL N N 74 121.061 123.073 -2.012 1
1 801 . 14 1 1 A 74 74 VAL H H 74 8.947 8.977 -0.030 1
1 802 . 14 1 1 A 74 74 VAL CA C 74 59.858 60.138 -0.280 1
1 803 . 14 1 1 A 74 74 VAL HA H 74 4.785 5.030 -0.245 1
1 804 . 14 1 1 A 74 74 VAL CB C 74 32.795 34.004 -1.209 1
1 814 . 14 1 1 A 74 74 VAL C C 74 176.022 176.376 -0.354 1
1 815 . 14 1 1 A 75 75 LYS N N 75 120.273 123.539 -3.266 1
1 816 . 14 1 1 A 75 75 LYS H H 75 9.404 8.849 0.555 1
1 817 . 14 1 1 A 75 75 LYS CA C 75 55.705 56.278 -0.573 1
1 818 . 14 1 1 A 75 75 LYS HA H 75 4.653 4.634 0.019 1
1 819 . 14 1 1 A 75 75 LYS CB C 75 34.767 32.873 1.894 1
1 827 . 14 1 1 A 75 75 LYS C C 75 175.025 175.827 -0.802 1
1 832 . 14 1 1 A 76 76 GLU N N 76 117.540 119.446 -1.906 1
1 833 . 14 1 1 A 76 76 GLU H H 76 7.224 7.793 -0.569 1
1 834 . 14 1 1 A 76 76 GLU CA C 76 54.893 55.695 -0.802 1
1 835 . 14 1 1 A 76 76 GLU HA H 76 4.747 4.814 -0.067 1
1 836 . 14 1 1 A 76 76 GLU CB C 76 33.199 33.203 -0.004 1
1 840 . 14 1 1 A 76 76 GLU C C 76 175.664 174.829 0.835 1
1 843 . 14 1 1 A 77 77 ARG N N 77 125.564 121.643 3.921 1
1 844 . 14 1 1 A 77 77 ARG H H 77 8.906 8.613 0.293 1
1 845 . 14 1 1 A 77 77 ARG CA C 77 56.610 54.307 2.303 1
1 846 . 14 1 1 A 77 77 ARG HA H 77 4.234 5.074 -0.840 1
1 847 . 14 1 1 A 77 77 ARG CB C 77 31.036 32.505 -1.469 1
1 855 . 14 1 1 A 77 77 ARG C C 77 174.779 175.258 -0.479 1
1 859 . 14 1 1 A 78 78 GLY N N 78 108.773 107.229 1.544 1
1 860 . 14 1 1 A 78 78 GLY H H 78 8.928 8.034 0.894 1
1 861 . 14 1 1 A 78 78 GLY CA C 78 44.418 44.062 0.356 1
1 862 . 14 1 1 A 78 78 GLY HA3 H 78 3.770 4.121 -0.351 1
1 863 . 14 1 1 A 78 78 GLY C C 78 171.452 172.961 -1.509 1
1 864 . 14 1 1 A 78 78 GLY HA2 H 78 4.467 4.089 0.378 1
1 865 . 14 1 1 A 79 79 ASP N N 79 120.109 120.461 -0.352 1
1 866 . 14 1 1 A 79 79 ASP H H 79 8.070 8.312 -0.242 1
1 867 . 14 1 1 A 79 79 ASP CA C 79 54.204 52.684 1.520 1
1 868 . 14 1 1 A 79 79 ASP HA H 79 5.344 5.586 -0.242 1
1 869 . 14 1 1 A 79 79 ASP CB C 79 42.148 42.020 0.128 1
1 871 . 14 1 1 A 79 79 ASP C C 79 175.474 175.022 0.452 1
1 873 . 14 1 1 A 80 80 TYR N N 80 121.969 123.465 -1.496 1
1 874 . 14 1 1 A 80 80 TYR H H 80 9.412 9.529 -0.117 1
1 875 . 14 1 1 A 80 80 TYR CA C 80 56.872 57.211 -0.339 1
1 876 . 14 1 1 A 80 80 TYR HA H 80 4.821 5.146 -0.325 1
1 877 . 14 1 1 A 80 80 TYR CB C 80 41.557 40.871 0.686 1
1 887 . 14 1 1 A 80 80 TYR C C 80 175.552 175.416 0.136 1
1 889 . 14 1 1 A 81 81 VAL N N 81 121.669 120.253 1.416 1
1 890 . 14 1 1 A 81 81 VAL H H 81 8.688 8.816 -0.128 1
1 891 . 14 1 1 A 81 81 VAL CA C 81 61.217 61.310 -0.093 1
1 892 . 14 1 1 A 81 81 VAL HA H 81 4.606 4.940 -0.334 1
1 893 . 14 1 1 A 81 81 VAL CB C 81 33.990 34.520 -0.530 1
1 903 . 14 1 1 A 81 81 VAL C C 81 173.568 174.047 -0.479 1
1 904 . 14 1 1 A 82 82 LEU N N 82 129.806 130.523 -0.717 1
1 905 . 14 1 1 A 82 82 LEU H H 82 8.873 8.627 0.246 1
1 906 . 14 1 1 A 82 82 LEU CA C 82 53.321 53.872 -0.551 1
1 907 . 14 1 1 A 82 82 LEU HA H 82 5.150 4.936 0.214 1
1 908 . 14 1 1 A 82 82 LEU CB C 82 44.594 44.283 0.311 1
1 920 . 14 1 1 A 82 82 LEU C C 82 174.427 174.855 -0.428 1
1 922 . 14 1 1 A 83 83 ALA N N 83 128.482 129.111 -0.629 1
1 923 . 14 1 1 A 83 83 ALA H H 83 9.294 9.091 0.203 1
1 924 . 14 1 1 A 83 83 ALA CA C 83 50.133 50.503 -0.370 1
1 925 . 14 1 1 A 83 83 ALA HA H 83 5.081 5.282 -0.201 1
1 926 . 14 1 1 A 83 83 ALA CB C 83 21.500 20.677 0.823 1
1 930 . 14 1 1 A 83 83 ALA C C 83 174.991 175.906 -0.915 1
1 931 . 14 1 1 A 84 84 VAL N N 84 121.691 123.839 -2.148 1
1 932 . 14 1 1 A 84 84 VAL H H 84 9.222 9.119 0.103 1
1 933 . 14 1 1 A 84 84 VAL CA C 84 61.324 61.371 -0.047 1
1 934 . 14 1 1 A 84 84 VAL HA H 84 4.785 4.860 -0.075 1
1 935 . 14 1 1 A 84 84 VAL CB C 84 34.116 33.707 0.409 1
1 945 . 14 1 1 A 84 84 VAL C C 84 174.156 174.941 -0.785 1
1 946 . 14 1 1 A 85 85 LYS N N 85 124.020 126.550 -2.530 1
1 947 . 14 1 1 A 85 85 LYS H H 85 9.193 8.398 0.795 1
1 948 . 14 1 1 A 85 85 LYS CA C 85 54.222 54.573 -0.351 1
1 949 . 14 1 1 A 85 85 LYS HA H 85 4.958 5.201 -0.243 1
1 950 . 14 1 1 A 85 85 LYS CB C 85 34.814 35.416 -0.602 1
1 958 . 14 1 1 A 85 85 LYS C C 85 173.704 175.033 -1.329 1
1 963 . 14 1 1 A 86 86 TRP N N 86 123.429 124.334 -0.905 1
1 964 . 14 1 1 A 86 86 TRP H H 86 8.623 8.957 -0.334 1
1 965 . 14 1 1 A 86 86 TRP CA C 86 53.803 56.563 -2.760 1
1 966 . 14 1 1 A 86 86 TRP HA H 86 5.583 4.938 0.645 1
1 967 . 14 1 1 A 86 86 TRP CB C 86 32.084 31.777 0.307 1
1 981 . 14 1 1 A 86 86 TRP C C 86 176.916 175.893 1.023 1
1 983 . 14 1 1 A 87 87 GLY N N 87 116.722 114.744 1.978 1
1 984 . 14 1 1 A 87 87 GLY H H 87 8.782 8.608 0.174 1
1 985 . 14 1 1 A 87 87 GLY CA C 87 46.432 46.651 -0.219 1
1 986 . 14 1 1 A 87 87 GLY HA3 H 87 3.152 3.578 -0.426 1
1 987 . 14 1 1 A 87 87 GLY C C 87 173.838 174.030 -0.192 1
1 988 . 14 1 1 A 87 87 GLY HA2 H 87 3.732 3.335 0.397 1
1 989 . 14 1 1 A 88 88 GLU N N 88 122.405 110.551 11.854 1
1 990 . 14 1 1 A 88 88 GLU H H 88 8.592 8.408 0.184 1
1 991 . 14 1 1 A 88 88 GLU CA C 88 56.004 57.528 -1.524 1
1 992 . 14 1 1 A 88 88 GLU HA H 88 4.057 3.814 0.243 1
1 993 . 14 1 1 A 88 88 GLU CB C 88 29.764 27.415 2.349 1
1 997 . 14 1 1 A 88 88 GLU C C 88 176.465 174.819 1.646 1
1 1000 . 14 1 1 A 89 89 GLU N N 89 117.358 117.083 0.275 1
1 1001 . 14 1 1 A 89 89 GLU H H 89 7.226 7.569 -0.343 1
1 1002 . 14 1 1 A 89 89 GLU CA C 89 54.921 54.821 0.100 1
1 1003 . 14 1 1 A 89 89 GLU HA H 89 4.580 5.108 -0.528 1
1 1004 . 14 1 1 A 89 89 GLU CB C 89 33.160 34.256 -1.096 1
1 1008 . 14 1 1 A 89 89 GLU C C 89 175.674 174.656 1.018 1
1 1011 . 14 1 1 A 90 90 HIS N N 90 122.210 116.740 5.470 1
1 1012 . 14 1 1 A 90 90 HIS H H 90 8.603 8.837 -0.234 1
1 1013 . 14 1 1 A 90 90 HIS CA C 90 58.321 54.404 3.917 1
1 1014 . 14 1 1 A 90 90 HIS HA H 90 4.343 5.120 -0.777 1
1 1015 . 14 1 1 A 90 90 HIS CB C 90 32.786 31.769 1.017 1
1 1021 . 14 1 1 A 90 90 HIS C C 90 177.001 175.224 1.777 1
1 1023 . 14 1 1 A 91 91 ILE N N 91 117.760 122.446 -4.686 1
1 1024 . 14 1 1 A 91 91 ILE H H 91 8.289 8.307 -0.018 1
1 1025 . 14 1 1 A 91 91 ILE CA C 91 61.019 60.265 0.754 1
1 1026 . 14 1 1 A 91 91 ILE HA H 91 4.482 4.264 0.218 1
1 1027 . 14 1 1 A 91 91 ILE CB C 91 35.655 37.844 -2.189 1
1 1039 . 14 1 1 A 91 91 ILE C C 91 173.231 175.477 -2.246 1
1 1041 . 14 1 1 A 92 92 PRO CA C 92 65.378 63.309 2.069 1
1 1042 . 14 1 1 A 92 92 PRO HA H 92 4.207 4.449 -0.242 1
1 1043 . 14 1 1 A 92 92 PRO CB C 92 31.301 30.922 0.379 1
1 1049 . 14 1 1 A 92 92 PRO C C 92 177.559 177.385 0.174 1
1 1053 . 14 1 1 A 93 93 GLY N N 93 115.174 113.025 2.149 1
1 1054 . 14 1 1 A 93 93 GLY H H 93 8.291 8.242 0.049 1
1 1055 . 14 1 1 A 93 93 GLY CA C 93 44.729 44.841 -0.112 1
1 1056 . 14 1 1 A 93 93 GLY HA3 H 93 3.122 3.695 -0.573 1
1 1057 . 14 1 1 A 93 93 GLY C C 93 171.695 173.647 -1.952 1
1 1058 . 14 1 1 A 93 93 GLY HA2 H 93 4.116 3.616 0.500 1
1 1059 . 14 1 1 A 94 94 SER N N 94 112.948 116.843 -3.895 1
1 1060 . 14 1 1 A 94 94 SER H H 94 7.612 7.429 0.183 1
1 1061 . 14 1 1 A 94 94 SER CA C 94 54.585 55.119 -0.534 1
1 1062 . 14 1 1 A 94 94 SER HA H 94 4.002 4.636 -0.634 1
1 1063 . 14 1 1 A 94 94 SER CB C 94 62.348 64.676 -2.328 1
1 1065 . 14 1 1 A 94 94 SER C C 94 174.321 172.512 1.809 1
1 1067 . 14 1 1 A 95 95 PRO CA C 95 62.338 62.803 -0.465 1
1 1068 . 14 1 1 A 95 95 PRO HA H 95 5.296 4.810 0.486 1
1 1069 . 14 1 1 A 95 95 PRO CB C 95 33.730 32.598 1.132 1
1 1075 . 14 1 1 A 95 95 PRO C C 95 175.728 176.897 -1.169 1
1 1079 . 14 1 1 A 96 96 PHE N N 96 124.415 121.426 2.989 1
1 1080 . 14 1 1 A 96 96 PHE H H 96 9.643 8.500 1.143 1
1 1081 . 14 1 1 A 96 96 PHE CA C 96 57.405 57.913 -0.508 1
1 1082 . 14 1 1 A 96 96 PHE HA H 96 4.474 4.812 -0.338 1
1 1083 . 14 1 1 A 96 96 PHE CB C 96 40.160 39.894 0.266 1
1 1095 . 14 1 1 A 96 96 PHE C C 96 175.736 175.310 0.426 1
1 1097 . 14 1 1 A 97 97 HIS N N 97 121.364 122.311 -0.947 1
1 1098 . 14 1 1 A 97 97 HIS H H 97 8.898 8.910 -0.012 1
1 1099 . 14 1 1 A 97 97 HIS CA C 97 55.214 54.668 0.546 1
1 1100 . 14 1 1 A 97 97 HIS HA H 97 5.124 5.057 0.067 1
1 1101 . 14 1 1 A 97 97 HIS CB C 97 29.981 31.117 -1.136 1
1 1107 . 14 1 1 A 97 97 HIS C C 97 173.895 173.149 0.746 1
1 1109 . 14 1 1 A 98 98 VAL N N 98 127.912 129.121 -1.209 1
1 1110 . 14 1 1 A 98 98 VAL H H 98 8.582 8.928 -0.346 1
1 1111 . 14 1 1 A 98 98 VAL CA C 98 61.467 61.916 -0.449 1
1 1112 . 14 1 1 A 98 98 VAL HA H 98 4.096 4.511 -0.415 1
1 1113 . 14 1 1 A 98 98 VAL CB C 98 35.455 31.992 3.463 1
1 1123 . 14 1 1 A 98 98 VAL C C 98 174.874 175.206 -0.332 1
1 1124 . 14 1 1 A 99 99 THR N N 99 123.090 123.637 -0.547 1
1 1125 . 14 1 1 A 99 99 THR H H 99 8.117 8.727 -0.610 1
1 1126 . 14 1 1 A 99 99 THR CA C 99 62.031 62.042 -0.011 1
1 1127 . 14 1 1 A 99 99 THR HA H 99 4.852 4.697 0.155 1
1 1128 . 14 1 1 A 99 99 THR CB C 99 70.661 69.595 1.066 1
1 1134 . 14 1 1 A 99 99 THR C C 99 173.264 173.965 -0.701 1
1 1135 . 14 1 1 A 100 100 VAL N N 100 129.827 126.449 3.378 1
1 1136 . 14 1 1 A 100 100 VAL H H 100 8.812 9.152 -0.340 1
1 1137 . 14 1 1 A 100 100 VAL CA C 100 58.577 58.456 0.121 1
1 1138 . 14 1 1 A 100 100 VAL HA H 100 5.053 4.368 0.685 1
1 1139 . 14 1 1 A 100 100 VAL CB C 100 33.365 34.534 -1.169 1
1 1149 . 14 1 1 A 100 100 VAL C C 100 174.927 174.070 0.857 1
1 1 . 15 1 1 A 6 6 SER CA C 6 58.666 59.394 -0.728 1
1 2 . 15 1 1 A 6 6 SER HA H 6 4.514 4.360 0.154 1
1 3 . 15 1 1 A 6 6 SER CB C 6 63.933 63.353 0.580 1
1 5 . 15 1 1 A 6 6 SER C C 6 175.074 175.210 -0.136 1
1 7 . 15 1 1 A 7 7 GLY N N 7 110.792 111.634 -0.842 1
1 8 . 15 1 1 A 7 7 GLY H H 7 8.450 8.346 0.104 1
1 9 . 15 1 1 A 7 7 GLY CA C 7 45.406 45.094 0.312 1
1 10 . 15 1 1 A 7 7 GLY HA3 H 7 4.052 4.124 -0.072 1
1 11 . 15 1 1 A 7 7 GLY C C 7 174.270 172.766 1.504 1
1 12 . 15 1 1 A 7 7 GLY HA2 H 7 4.052 4.119 -0.067 1
1 13 . 15 1 1 A 8 8 SER N N 8 115.558 117.510 -1.952 1
1 14 . 15 1 1 A 8 8 SER H H 8 8.274 8.618 -0.344 1
1 15 . 15 1 1 A 8 8 SER CA C 8 58.332 57.870 0.462 1
1 16 . 15 1 1 A 8 8 SER HA H 8 4.557 5.234 -0.677 1
1 17 . 15 1 1 A 8 8 SER CB C 8 63.930 64.198 -0.268 1
1 19 . 15 1 1 A 8 8 SER C C 8 174.064 173.677 0.387 1
1 21 . 15 1 1 A 9 9 SER N N 9 116.801 120.963 -4.162 1
1 22 . 15 1 1 A 9 9 SER H H 9 8.227 9.006 -0.779 1
1 23 . 15 1 1 A 9 9 SER CA C 9 58.075 56.740 1.335 1
1 24 . 15 1 1 A 9 9 SER HA H 9 5.001 5.508 -0.507 1
1 25 . 15 1 1 A 9 9 SER CB C 9 64.491 64.674 -0.183 1
1 27 . 15 1 1 A 9 9 SER C C 9 174.318 172.115 2.203 1
1 29 . 15 1 1 A 10 10 ASP N N 10 122.324 127.879 -5.555 1
1 30 . 15 1 1 A 10 10 ASP H H 10 8.262 8.615 -0.353 1
1 31 . 15 1 1 A 10 10 ASP CA C 10 53.833 53.577 0.256 1
1 32 . 15 1 1 A 10 10 ASP HA H 10 4.892 5.145 -0.253 1
1 33 . 15 1 1 A 10 10 ASP CB C 10 41.497 42.910 -1.413 1
1 35 . 15 1 1 A 10 10 ASP C C 10 176.306 176.277 0.029 1
1 37 . 15 1 1 A 11 11 ALA N N 11 126.255 129.175 -2.920 1
1 38 . 15 1 1 A 11 11 ALA H H 11 9.091 8.725 0.366 1
1 39 . 15 1 1 A 11 11 ALA CA C 11 54.713 54.909 -0.196 1
1 40 . 15 1 1 A 11 11 ALA HA H 11 4.056 4.217 -0.161 1
1 41 . 15 1 1 A 11 11 ALA CB C 11 20.177 19.138 1.039 1
1 45 . 15 1 1 A 11 11 ALA C C 11 177.950 179.569 -1.619 1
1 46 . 15 1 1 A 12 12 SER N N 12 110.658 113.961 -3.303 1
1 47 . 15 1 1 A 12 12 SER H H 12 8.224 7.643 0.581 1
1 48 . 15 1 1 A 12 12 SER CA C 12 60.857 61.491 -0.634 1
1 49 . 15 1 1 A 12 12 SER HA H 12 4.240 4.241 -0.001 1
1 50 . 15 1 1 A 12 12 SER CB C 12 62.964 62.946 0.018 1
1 52 . 15 1 1 A 12 12 SER C C 12 175.312 175.320 -0.008 1
1 54 . 15 1 1 A 13 13 LYS N N 13 119.063 118.277 0.786 1
1 55 . 15 1 1 A 13 13 LYS H H 13 7.349 7.718 -0.369 1
1 56 . 15 1 1 A 13 13 LYS CA C 13 54.948 57.524 -2.576 1
1 57 . 15 1 1 A 13 13 LYS HA H 13 4.293 4.355 -0.062 1
1 58 . 15 1 1 A 13 13 LYS CB C 13 33.037 33.253 -0.216 1
1 66 . 15 1 1 A 13 13 LYS C C 13 177.263 177.416 -0.153 1
1 71 . 15 1 1 A 14 14 VAL N N 14 124.317 120.508 3.809 1
1 72 . 15 1 1 A 14 14 VAL H H 14 7.500 7.448 0.052 1
1 73 . 15 1 1 A 14 14 VAL CA C 14 63.797 63.008 0.789 1
1 74 . 15 1 1 A 14 14 VAL HA H 14 3.870 3.707 0.163 1
1 75 . 15 1 1 A 14 14 VAL CB C 14 31.996 31.411 0.585 1
1 85 . 15 1 1 A 14 14 VAL C C 14 175.873 175.341 0.532 1
1 86 . 15 1 1 A 15 15 THR N N 15 117.704 119.042 -1.338 1
1 87 . 15 1 1 A 15 15 THR H H 15 8.197 8.721 -0.524 1
1 88 . 15 1 1 A 15 15 THR CA C 15 59.805 59.530 0.275 1
1 89 . 15 1 1 A 15 15 THR HA H 15 4.911 5.294 -0.383 1
1 90 . 15 1 1 A 15 15 THR CB C 15 71.373 71.645 -0.272 1
1 96 . 15 1 1 A 15 15 THR C C 15 172.695 173.954 -1.259 1
1 97 . 15 1 1 A 16 16 SER N N 16 113.256 117.676 -4.420 1
1 98 . 15 1 1 A 16 16 SER H H 16 8.442 9.049 -0.607 1
1 99 . 15 1 1 A 16 16 SER CA C 16 57.155 56.274 0.881 1
1 100 . 15 1 1 A 16 16 SER HA H 16 5.564 5.463 0.101 1
1 101 . 15 1 1 A 16 16 SER CB C 16 66.124 66.018 0.106 1
1 103 . 15 1 1 A 16 16 SER C C 16 173.455 173.601 -0.146 1
1 105 . 15 1 1 A 17 17 LYS N N 17 117.543 119.714 -2.171 1
1 106 . 15 1 1 A 17 17 LYS H H 17 8.870 9.013 -0.143 1
1 107 . 15 1 1 A 17 17 LYS CA C 17 56.063 54.213 1.850 1
1 108 . 15 1 1 A 17 17 LYS HA H 17 4.673 4.995 -0.322 1
1 109 . 15 1 1 A 17 17 LYS CB C 17 35.602 36.075 -0.473 1
1 117 . 15 1 1 A 17 17 LYS C C 17 174.625 175.424 -0.799 1
1 122 . 15 1 1 A 18 18 GLY N N 18 110.702 107.927 2.775 1
1 123 . 15 1 1 A 18 18 GLY H H 18 8.746 8.444 0.302 1
1 124 . 15 1 1 A 18 18 GLY CA C 18 44.501 44.508 -0.007 1
1 125 . 15 1 1 A 18 18 GLY HA3 H 18 3.998 4.202 -0.204 1
1 126 . 15 1 1 A 18 18 GLY C C 18 175.460 174.723 0.737 1
1 127 . 15 1 1 A 18 18 GLY HA2 H 18 4.947 4.164 0.783 1
1 128 . 15 1 1 A 19 19 ALA CA C 19 55.387 53.565 1.822 1
1 129 . 15 1 1 A 19 19 ALA HA H 19 4.229 4.575 -0.346 1
1 130 . 15 1 1 A 19 19 ALA CB C 19 18.689 18.992 -0.303 1
1 134 . 15 1 1 A 19 19 ALA C C 19 179.606 178.477 1.129 1
1 135 . 15 1 1 A 20 20 GLY N N 20 101.587 107.721 -6.134 1
1 136 . 15 1 1 A 20 20 GLY H H 20 8.466 8.015 0.451 1
1 137 . 15 1 1 A 20 20 GLY CA C 20 46.078 46.149 -0.071 1
1 138 . 15 1 1 A 20 20 GLY HA3 H 20 3.596 4.115 -0.519 1
1 139 . 15 1 1 A 20 20 GLY C C 20 173.214 174.488 -1.274 1
1 140 . 15 1 1 A 20 20 GLY HA2 H 20 4.689 4.027 0.662 1
1 141 . 15 1 1 A 21 21 LEU N N 21 115.987 119.780 -3.793 1
1 142 . 15 1 1 A 21 21 LEU H H 21 6.928 7.697 -0.769 1
1 143 . 15 1 1 A 21 21 LEU CA C 21 55.567 54.218 1.349 1
1 144 . 15 1 1 A 21 21 LEU HA H 21 3.404 4.269 -0.865 1
1 145 . 15 1 1 A 21 21 LEU CB C 21 41.702 41.881 -0.179 1
1 157 . 15 1 1 A 21 21 LEU C C 21 175.989 177.326 -1.337 1
1 159 . 15 1 1 A 22 22 SER N N 22 106.483 111.095 -4.612 1
1 160 . 15 1 1 A 22 22 SER H H 22 7.808 8.032 -0.224 1
1 161 . 15 1 1 A 22 22 SER CA C 22 58.956 58.385 0.571 1
1 162 . 15 1 1 A 22 22 SER HA H 22 4.901 4.651 0.250 1
1 163 . 15 1 1 A 22 22 SER CB C 22 66.238 64.276 1.962 1
1 165 . 15 1 1 A 22 22 SER C C 22 174.051 174.434 -0.383 1
1 167 . 15 1 1 A 23 23 LYS N N 23 124.757 117.559 7.198 1
1 168 . 15 1 1 A 23 23 LYS H H 23 8.399 7.552 0.847 1
1 169 . 15 1 1 A 23 23 LYS CA C 23 55.676 55.088 0.588 1
1 170 . 15 1 1 A 23 23 LYS HA H 23 4.973 4.613 0.360 1
1 171 . 15 1 1 A 23 23 LYS CB C 23 36.338 34.658 1.680 1
1 179 . 15 1 1 A 23 23 LYS C C 23 173.136 174.043 -0.907 1
1 184 . 15 1 1 A 24 24 ALA N N 24 123.565 121.400 2.165 1
1 185 . 15 1 1 A 24 24 ALA H H 24 7.541 8.055 -0.514 1
1 186 . 15 1 1 A 24 24 ALA CA C 24 51.148 51.152 -0.004 1
1 187 . 15 1 1 A 24 24 ALA HA H 24 4.256 5.295 -1.039 1
1 188 . 15 1 1 A 24 24 ALA CB C 24 22.019 23.848 -1.829 1
1 192 . 15 1 1 A 24 24 ALA C C 24 173.515 175.582 -2.067 1
1 193 . 15 1 1 A 25 25 PHE N N 25 114.269 117.535 -3.266 1
1 194 . 15 1 1 A 25 25 PHE H H 25 7.858 9.003 -1.145 1
1 195 . 15 1 1 A 25 25 PHE CA C 25 55.809 56.320 -0.511 1
1 196 . 15 1 1 A 25 25 PHE HA H 25 5.191 5.031 0.160 1
1 197 . 15 1 1 A 25 25 PHE CB C 25 41.943 42.187 -0.244 1
1 209 . 15 1 1 A 25 25 PHE C C 25 177.046 175.696 1.350 1
1 211 . 15 1 1 A 26 26 VAL N N 26 123.270 122.957 0.313 1
1 212 . 15 1 1 A 26 26 VAL H H 26 9.338 8.690 0.648 1
1 213 . 15 1 1 A 26 26 VAL CA C 26 65.054 65.299 -0.245 1
1 214 . 15 1 1 A 26 26 VAL HA H 26 3.441 3.743 -0.302 1
1 215 . 15 1 1 A 26 26 VAL CB C 26 31.757 31.362 0.395 1
1 225 . 15 1 1 A 26 26 VAL C C 26 178.201 177.240 0.961 1
1 226 . 15 1 1 A 27 27 GLY N N 27 112.668 115.221 -2.553 1
1 227 . 15 1 1 A 27 27 GLY H H 27 8.862 9.251 -0.389 1
1 228 . 15 1 1 A 27 27 GLY CA C 27 45.857 45.230 0.627 1
1 229 . 15 1 1 A 27 27 GLY HA3 H 27 4.229 4.025 0.204 1
1 230 . 15 1 1 A 27 27 GLY C C 27 173.411 174.450 -1.039 1
1 231 . 15 1 1 A 27 27 GLY HA2 H 27 3.631 4.021 -0.390 1
1 232 . 15 1 1 A 28 28 GLN N N 28 118.568 120.705 -2.137 1
1 233 . 15 1 1 A 28 28 GLN H H 28 7.755 7.957 -0.202 1
1 234 . 15 1 1 A 28 28 GLN CA C 28 53.825 56.838 -3.013 1
1 235 . 15 1 1 A 28 28 GLN HA H 28 4.690 4.294 0.396 1
1 236 . 15 1 1 A 28 28 GLN CB C 28 30.975 29.847 1.128 1
1 243 . 15 1 1 A 28 28 GLN C C 28 175.517 174.832 0.685 1
1 246 . 15 1 1 A 29 29 LYS N N 29 123.598 124.201 -0.603 1
1 247 . 15 1 1 A 29 29 LYS H H 29 8.839 8.579 0.260 1
1 248 . 15 1 1 A 29 29 LYS CA C 29 57.587 55.285 2.302 1
1 249 . 15 1 1 A 29 29 LYS HA H 29 4.158 4.641 -0.483 1
1 250 . 15 1 1 A 29 29 LYS CB C 29 32.381 33.400 -1.019 1
1 258 . 15 1 1 A 29 29 LYS C C 29 176.190 174.612 1.578 1
1 263 . 15 1 1 A 30 30 SER N N 30 124.030 124.096 -0.066 1
1 264 . 15 1 1 A 30 30 SER H H 30 8.694 8.227 0.467 1
1 265 . 15 1 1 A 30 30 SER CA C 30 57.560 58.541 -0.981 1
1 266 . 15 1 1 A 30 30 SER HA H 30 4.758 4.749 0.009 1
1 267 . 15 1 1 A 30 30 SER CB C 30 64.143 63.768 0.375 1
1 269 . 15 1 1 A 30 30 SER C C 30 173.413 173.769 -0.356 1
1 271 . 15 1 1 A 31 31 SER N N 31 116.828 118.268 -1.440 1
1 272 . 15 1 1 A 31 31 SER H H 31 8.894 8.667 0.227 1
1 273 . 15 1 1 A 31 31 SER CA C 31 57.132 55.913 1.219 1
1 274 . 15 1 1 A 31 31 SER HA H 31 6.181 5.165 1.016 1
1 275 . 15 1 1 A 31 31 SER CB C 31 67.745 66.320 1.425 1
1 277 . 15 1 1 A 31 31 SER C C 31 174.171 173.455 0.716 1
1 279 . 15 1 1 A 32 32 PHE N N 32 117.724 117.366 0.358 1
1 280 . 15 1 1 A 32 32 PHE H H 32 8.853 8.297 0.556 1
1 281 . 15 1 1 A 32 32 PHE CA C 32 57.190 55.990 1.200 1
1 282 . 15 1 1 A 32 32 PHE HA H 32 5.016 5.210 -0.194 1
1 283 . 15 1 1 A 32 32 PHE CB C 32 40.712 41.965 -1.253 1
1 295 . 15 1 1 A 32 32 PHE C C 32 170.765 172.239 -1.474 1
1 297 . 15 1 1 A 33 33 LEU N N 33 121.533 124.102 -2.569 1
1 298 . 15 1 1 A 33 33 LEU H H 33 9.223 8.704 0.519 1
1 299 . 15 1 1 A 33 33 LEU CA C 33 53.636 53.940 -0.304 1
1 300 . 15 1 1 A 33 33 LEU HA H 33 5.531 5.035 0.496 1
1 301 . 15 1 1 A 33 33 LEU CB C 33 46.278 44.700 1.578 1
1 313 . 15 1 1 A 33 33 LEU C C 33 176.559 174.579 1.980 1
1 315 . 15 1 1 A 34 34 VAL N N 34 123.140 126.360 -3.220 1
1 316 . 15 1 1 A 34 34 VAL H H 34 9.257 8.525 0.732 1
1 317 . 15 1 1 A 34 34 VAL CA C 34 61.182 61.547 -0.365 1
1 318 . 15 1 1 A 34 34 VAL HA H 34 4.785 4.714 0.071 1
1 319 . 15 1 1 A 34 34 VAL CB C 34 34.589 34.728 -0.139 1
1 329 . 15 1 1 A 34 34 VAL C C 34 174.370 174.099 0.271 1
1 330 . 15 1 1 A 35 35 ASP N N 35 126.353 127.848 -1.495 1
1 331 . 15 1 1 A 35 35 ASP H H 35 9.312 9.369 -0.057 1
1 332 . 15 1 1 A 35 35 ASP CA C 35 53.298 54.157 -0.859 1
1 333 . 15 1 1 A 35 35 ASP HA H 35 5.229 4.968 0.261 1
1 334 . 15 1 1 A 35 35 ASP CB C 35 41.538 41.707 -0.169 1
1 336 . 15 1 1 A 35 35 ASP C C 35 176.980 176.109 0.871 1
1 338 . 15 1 1 A 36 36 CYS N N 36 125.342 125.057 0.285 1
1 339 . 15 1 1 A 36 36 CYS H H 36 9.275 8.799 0.476 1
1 340 . 15 1 1 A 36 36 CYS CA C 36 57.367 57.888 -0.521 1
1 341 . 15 1 1 A 36 36 CYS HA H 36 4.374 4.715 -0.341 1
1 342 . 15 1 1 A 36 36 CYS CB C 36 28.369 28.437 -0.068 1
1 344 . 15 1 1 A 36 36 CYS C C 36 177.015 175.262 1.753 1
1 346 . 15 1 1 A 37 37 SER N N 37 119.973 116.395 3.578 1
1 347 . 15 1 1 A 37 37 SER H H 37 9.039 7.998 1.041 1
1 348 . 15 1 1 A 37 37 SER CA C 37 62.787 61.288 1.499 1
1 349 . 15 1 1 A 37 37 SER HA H 37 3.932 4.274 -0.342 1
1 350 . 15 1 1 A 37 37 SER CB C 37 62.982 62.952 0.030 1
1 352 . 15 1 1 A 37 37 SER C C 37 176.290 176.927 -0.637 1
1 354 . 15 1 1 A 38 38 LYS N N 38 120.815 120.405 0.410 1
1 355 . 15 1 1 A 38 38 LYS H H 38 8.676 7.931 0.745 1
1 356 . 15 1 1 A 38 38 LYS CA C 38 55.123 58.183 -3.060 1
1 357 . 15 1 1 A 38 38 LYS HA H 38 4.730 4.143 0.587 1
1 358 . 15 1 1 A 38 38 LYS CB C 38 32.250 32.154 0.096 1
1 366 . 15 1 1 A 38 38 LYS C C 38 176.385 178.741 -2.356 1
1 371 . 15 1 1 A 39 39 ALA N N 39 121.594 121.781 -0.187 1
1 372 . 15 1 1 A 39 39 ALA H H 39 7.322 7.856 -0.534 1
1 373 . 15 1 1 A 39 39 ALA CA C 39 52.127 54.718 -2.591 1
1 374 . 15 1 1 A 39 39 ALA HA H 39 4.436 4.176 0.260 1
1 375 . 15 1 1 A 39 39 ALA CB C 39 21.347 19.168 2.179 1
1 379 . 15 1 1 A 39 39 ALA C C 39 177.453 177.708 -0.255 1
1 380 . 15 1 1 A 40 40 GLY N N 40 111.873 102.774 9.099 1
1 381 . 15 1 1 A 40 40 GLY H H 40 8.755 7.258 1.497 1
1 382 . 15 1 1 A 40 40 GLY CA C 40 45.619 46.169 -0.550 1
1 383 . 15 1 1 A 40 40 GLY HA3 H 40 4.329 4.295 0.034 1
1 384 . 15 1 1 A 40 40 GLY C C 40 173.801 172.696 1.105 1
1 385 . 15 1 1 A 40 40 GLY HA2 H 40 3.754 4.200 -0.446 1
1 386 . 15 1 1 A 41 41 SER N N 41 117.149 115.319 1.830 1
1 387 . 15 1 1 A 41 41 SER H H 41 8.524 8.686 -0.162 1
1 388 . 15 1 1 A 41 41 SER CA C 41 56.849 56.956 -0.107 1
1 389 . 15 1 1 A 41 41 SER HA H 41 5.010 5.001 0.009 1
1 390 . 15 1 1 A 41 41 SER CB C 41 63.917 63.395 0.522 1
1 392 . 15 1 1 A 41 41 SER C C 41 172.603 174.143 -1.540 1
1 394 . 15 1 1 A 42 42 ASN N N 42 125.590 120.671 4.919 1
1 395 . 15 1 1 A 42 42 ASN H H 42 7.155 7.983 -0.828 1
1 396 . 15 1 1 A 42 42 ASN CA C 42 50.805 51.241 -0.436 1
1 397 . 15 1 1 A 42 42 ASN HA H 42 3.256 4.478 -1.222 1
1 398 . 15 1 1 A 42 42 ASN CB C 42 39.354 39.702 -0.348 1
1 403 . 15 1 1 A 42 42 ASN C C 42 170.908 174.806 -3.898 1
1 405 . 15 1 1 A 43 43 MET N N 43 115.129 120.709 -5.580 1
1 406 . 15 1 1 A 43 43 MET H H 43 8.366 8.047 0.319 1
1 407 . 15 1 1 A 43 43 MET CA C 43 53.424 53.300 0.124 1
1 408 . 15 1 1 A 43 43 MET HA H 43 4.102 5.016 -0.914 1
1 409 . 15 1 1 A 43 43 MET CB C 43 35.572 34.107 1.465 1
1 417 . 15 1 1 A 43 43 MET C C 43 173.140 174.418 -1.278 1
1 420 . 15 1 1 A 44 44 LEU N N 44 128.038 125.540 2.498 1
1 421 . 15 1 1 A 44 44 LEU H H 44 8.300 8.560 -0.260 1
1 422 . 15 1 1 A 44 44 LEU CA C 44 53.806 53.741 0.065 1
1 423 . 15 1 1 A 44 44 LEU HA H 44 5.331 5.034 0.297 1
1 424 . 15 1 1 A 44 44 LEU CB C 44 43.598 43.377 0.221 1
1 436 . 15 1 1 A 44 44 LEU C C 44 175.236 176.081 -0.845 1
1 438 . 15 1 1 A 45 45 LEU N N 45 126.999 122.433 4.566 1
1 439 . 15 1 1 A 45 45 LEU H H 45 9.109 8.560 0.549 1
1 440 . 15 1 1 A 45 45 LEU CA C 45 54.800 52.459 2.341 1
1 441 . 15 1 1 A 45 45 LEU HA H 45 5.135 5.346 -0.211 1
1 442 . 15 1 1 A 45 45 LEU CB C 45 45.499 45.547 -0.048 1
1 454 . 15 1 1 A 45 45 LEU C C 45 175.167 175.251 -0.084 1
1 456 . 15 1 1 A 46 46 ILE N N 46 118.172 120.218 -2.046 1
1 457 . 15 1 1 A 46 46 ILE H H 46 7.966 8.737 -0.771 1
1 458 . 15 1 1 A 46 46 ILE CA C 46 58.091 59.561 -1.470 1
1 459 . 15 1 1 A 46 46 ILE HA H 46 5.412 5.079 0.333 1
1 460 . 15 1 1 A 46 46 ILE CB C 46 41.988 41.192 0.796 1
1 472 . 15 1 1 A 46 46 ILE C C 46 174.748 175.717 -0.969 1
1 474 . 15 1 1 A 47 47 GLY N N 47 110.148 115.827 -5.679 1
1 475 . 15 1 1 A 47 47 GLY H H 47 8.554 8.920 -0.366 1
1 476 . 15 1 1 A 47 47 GLY CA C 47 46.136 46.263 -0.127 1
1 477 . 15 1 1 A 47 47 GLY HA3 H 47 4.604 4.229 0.375 1
1 478 . 15 1 1 A 47 47 GLY C C 47 171.583 173.224 -1.641 1
1 479 . 15 1 1 A 47 47 GLY HA2 H 47 3.933 4.226 -0.293 1
1 480 . 15 1 1 A 48 48 VAL N N 48 120.434 118.207 2.227 1
1 481 . 15 1 1 A 48 48 VAL H H 48 9.048 7.723 1.325 1
1 482 . 15 1 1 A 48 48 VAL CA C 48 61.060 62.287 -1.227 1
1 483 . 15 1 1 A 48 48 VAL HA H 48 5.143 4.121 1.022 1
1 484 . 15 1 1 A 48 48 VAL CB C 48 34.976 32.206 2.770 1
1 494 . 15 1 1 A 48 48 VAL C C 48 175.260 175.438 -0.178 1
1 495 . 15 1 1 A 49 49 HIS N N 49 127.718 127.016 0.702 1
1 496 . 15 1 1 A 49 49 HIS H H 49 9.556 8.402 1.154 1
1 497 . 15 1 1 A 49 49 HIS CA C 49 55.342 55.959 -0.617 1
1 498 . 15 1 1 A 49 49 HIS HA H 49 4.987 4.897 0.090 1
1 499 . 15 1 1 A 49 49 HIS CB C 49 34.476 31.056 3.420 1
1 505 . 15 1 1 A 49 49 HIS C C 49 173.822 174.531 -0.709 1
1 507 . 15 1 1 A 50 50 GLY N N 50 115.577 112.328 3.249 1
1 508 . 15 1 1 A 50 50 GLY H H 50 8.192 8.380 -0.188 1
1 509 . 15 1 1 A 50 50 GLY CA C 50 44.693 46.652 -1.959 1
1 510 . 15 1 1 A 50 50 GLY HA3 H 50 3.247 4.191 -0.944 1
1 511 . 15 1 1 A 50 50 GLY C C 50 171.437 173.902 -2.465 1
1 512 . 15 1 1 A 50 50 GLY HA2 H 50 3.722 4.133 -0.411 1
1 513 . 15 1 1 A 51 51 PRO CA C 51 64.376 65.021 -0.645 1
1 514 . 15 1 1 A 51 51 PRO HA H 51 4.104 4.354 -0.250 1
1 515 . 15 1 1 A 51 51 PRO CB C 51 32.141 32.189 -0.048 1
1 521 . 15 1 1 A 51 51 PRO C C 51 177.607 177.722 -0.115 1
1 525 . 15 1 1 A 52 52 THR N N 52 109.088 108.331 0.757 1
1 526 . 15 1 1 A 52 52 THR H H 52 8.447 7.802 0.645 1
1 527 . 15 1 1 A 52 52 THR CA C 52 62.861 62.062 0.799 1
1 528 . 15 1 1 A 52 52 THR HA H 52 4.424 4.492 -0.068 1
1 529 . 15 1 1 A 52 52 THR CB C 52 70.329 70.016 0.313 1
1 535 . 15 1 1 A 52 52 THR C C 52 174.926 174.983 -0.057 1
1 536 . 15 1 1 A 53 53 THR N N 53 118.915 115.182 3.733 1
1 537 . 15 1 1 A 53 53 THR H H 53 7.983 7.745 0.238 1
1 538 . 15 1 1 A 53 53 THR CA C 53 59.878 59.128 0.750 1
1 539 . 15 1 1 A 53 53 THR HA H 53 4.751 4.775 -0.024 1
1 540 . 15 1 1 A 53 53 THR CB C 53 71.034 71.996 -0.962 1
1 546 . 15 1 1 A 53 53 THR C C 53 172.019 171.996 0.023 1
1 547 . 15 1 1 A 54 54 PRO CA C 54 62.614 62.282 0.332 1
1 548 . 15 1 1 A 54 54 PRO HA H 54 4.629 4.599 0.030 1
1 549 . 15 1 1 A 54 54 PRO CB C 54 32.845 32.506 0.339 1
1 555 . 15 1 1 A 54 54 PRO C C 54 177.751 176.530 1.221 1
1 559 . 15 1 1 A 55 55 CYS N N 55 121.538 119.628 1.910 1
1 560 . 15 1 1 A 55 55 CYS H H 55 8.938 8.311 0.627 1
1 561 . 15 1 1 A 55 55 CYS CA C 55 60.342 57.573 2.769 1
1 562 . 15 1 1 A 55 55 CYS HA H 55 4.563 4.755 -0.192 1
1 563 . 15 1 1 A 55 55 CYS CB C 55 27.534 29.790 -2.256 1
1 565 . 15 1 1 A 55 55 CYS C C 55 174.437 175.802 -1.365 1
1 567 . 15 1 1 A 56 56 GLU N N 56 124.530 123.584 0.946 1
1 568 . 15 1 1 A 56 56 GLU H H 56 8.450 8.477 -0.027 1
1 569 . 15 1 1 A 56 56 GLU CA C 56 59.363 59.202 0.161 1
1 570 . 15 1 1 A 56 56 GLU HA H 56 4.471 4.226 0.245 1
1 571 . 15 1 1 A 56 56 GLU CB C 56 31.217 30.507 0.710 1
1 575 . 15 1 1 A 56 56 GLU C C 56 176.847 176.470 0.377 1
1 578 . 15 1 1 A 57 57 GLU N N 57 114.661 113.923 0.738 1
1 579 . 15 1 1 A 57 57 GLU H H 57 7.478 7.732 -0.254 1
1 580 . 15 1 1 A 57 57 GLU CA C 57 55.551 55.501 0.050 1
1 581 . 15 1 1 A 57 57 GLU HA H 57 5.414 4.680 0.734 1
1 582 . 15 1 1 A 57 57 GLU CB C 57 34.084 31.795 2.289 1
1 586 . 15 1 1 A 57 57 GLU C C 57 174.400 173.888 0.512 1
1 589 . 15 1 1 A 58 58 VAL N N 58 123.611 120.540 3.071 1
1 590 . 15 1 1 A 58 58 VAL H H 58 8.605 8.498 0.107 1
1 591 . 15 1 1 A 58 58 VAL CA C 58 62.048 62.040 0.008 1
1 592 . 15 1 1 A 58 58 VAL HA H 58 4.941 4.664 0.277 1
1 593 . 15 1 1 A 58 58 VAL CB C 58 35.700 33.967 1.733 1
1 603 . 15 1 1 A 58 58 VAL C C 58 174.426 174.470 -0.044 1
1 604 . 15 1 1 A 59 59 SER N N 59 121.592 123.946 -2.354 1
1 605 . 15 1 1 A 59 59 SER H H 59 9.635 9.014 0.621 1
1 606 . 15 1 1 A 59 59 SER CA C 59 57.012 57.178 -0.166 1
1 607 . 15 1 1 A 59 59 SER HA H 59 5.526 4.828 0.698 1
1 608 . 15 1 1 A 59 59 SER CB C 59 65.896 63.635 2.261 1
1 610 . 15 1 1 A 59 59 SER C C 59 172.465 173.328 -0.863 1
1 612 . 15 1 1 A 60 60 MET N N 60 122.508 127.512 -5.004 1
1 613 . 15 1 1 A 60 60 MET H H 60 9.435 9.059 0.376 1
1 614 . 15 1 1 A 60 60 MET CA C 60 54.541 53.961 0.580 1
1 615 . 15 1 1 A 60 60 MET HA H 60 5.352 5.807 -0.455 1
1 616 . 15 1 1 A 60 60 MET CB C 60 37.420 34.516 2.904 1
1 624 . 15 1 1 A 60 60 MET C C 60 174.616 175.150 -0.534 1
1 627 . 15 1 1 A 61 61 LYS N N 61 125.580 123.415 2.165 1
1 628 . 15 1 1 A 61 61 LYS H H 61 8.963 9.100 -0.137 1
1 629 . 15 1 1 A 61 61 LYS CA C 61 54.688 54.790 -0.102 1
1 630 . 15 1 1 A 61 61 LYS HA H 61 5.396 4.920 0.476 1
1 631 . 15 1 1 A 61 61 LYS CB C 61 36.412 36.950 -0.538 1
1 639 . 15 1 1 A 61 61 LYS C C 61 175.548 174.859 0.689 1
1 644 . 15 1 1 A 62 62 HIS N N 62 125.822 122.504 3.318 1
1 645 . 15 1 1 A 62 62 HIS H H 62 8.967 8.902 0.065 1
1 646 . 15 1 1 A 62 62 HIS CA C 62 55.674 54.097 1.577 1
1 647 . 15 1 1 A 62 62 HIS HA H 62 4.621 4.769 -0.148 1
1 648 . 15 1 1 A 62 62 HIS CB C 62 29.732 29.819 -0.087 1
1 654 . 15 1 1 A 62 62 HIS C C 62 175.912 174.908 1.004 1
1 656 . 15 1 1 A 63 63 VAL N N 63 124.131 123.570 0.561 1
1 657 . 15 1 1 A 63 63 VAL H H 63 8.633 8.218 0.415 1
1 658 . 15 1 1 A 63 63 VAL CA C 63 61.288 64.319 -3.031 1
1 659 . 15 1 1 A 63 63 VAL HA H 63 4.299 3.666 0.633 1
1 660 . 15 1 1 A 63 63 VAL CB C 63 30.964 32.423 -1.459 1
1 670 . 15 1 1 A 63 63 VAL C C 63 175.339 175.396 -0.057 1
1 671 . 15 1 1 A 64 64 GLY N N 64 108.087 109.868 -1.781 1
1 672 . 15 1 1 A 64 64 GLY H H 64 5.406 6.912 -1.506 1
1 673 . 15 1 1 A 64 64 GLY CA C 64 44.979 43.426 1.553 1
1 674 . 15 1 1 A 64 64 GLY HA3 H 64 3.118 3.749 -0.631 1
1 675 . 15 1 1 A 64 64 GLY C C 64 174.125 173.754 0.371 1
1 676 . 15 1 1 A 64 64 GLY HA2 H 64 4.287 3.173 1.114 1
1 677 . 15 1 1 A 65 65 ASN N N 65 118.292 120.359 -2.067 1
1 678 . 15 1 1 A 65 65 ASN H H 65 9.260 9.292 -0.032 1
1 679 . 15 1 1 A 65 65 ASN CA C 65 54.643 54.061 0.582 1
1 680 . 15 1 1 A 65 65 ASN HA H 65 4.401 4.413 -0.012 1
1 681 . 15 1 1 A 65 65 ASN CB C 65 37.695 37.220 0.475 1
1 686 . 15 1 1 A 65 65 ASN C C 65 174.079 174.305 -0.226 1
1 688 . 15 1 1 A 66 66 GLN N N 66 111.325 110.224 1.101 1
1 689 . 15 1 1 A 66 66 GLN H H 66 10.512 8.606 1.906 1
1 690 . 15 1 1 A 66 66 GLN CA C 66 57.009 57.387 -0.378 1
1 691 . 15 1 1 A 66 66 GLN HA H 66 3.713 3.951 -0.238 1
1 692 . 15 1 1 A 66 66 GLN CB C 66 24.986 26.879 -1.893 1
1 699 . 15 1 1 A 66 66 GLN C C 66 173.896 174.370 -0.474 1
1 702 . 15 1 1 A 67 67 GLN N N 67 115.692 117.501 -1.809 1
1 703 . 15 1 1 A 67 67 GLN H H 67 7.492 7.291 0.201 1
1 704 . 15 1 1 A 67 67 GLN CA C 67 54.496 54.606 -0.110 1
1 705 . 15 1 1 A 67 67 GLN HA H 67 5.400 4.967 0.433 1
1 706 . 15 1 1 A 67 67 GLN CB C 67 29.896 31.233 -1.337 1
1 713 . 15 1 1 A 67 67 GLN C C 67 175.043 174.219 0.824 1
1 716 . 15 1 1 A 68 68 TYR N N 68 121.249 121.714 -0.465 1
1 717 . 15 1 1 A 68 68 TYR H H 68 9.573 8.931 0.642 1
1 718 . 15 1 1 A 68 68 TYR CA C 68 56.443 56.799 -0.356 1
1 719 . 15 1 1 A 68 68 TYR HA H 68 5.417 5.262 0.155 1
1 720 . 15 1 1 A 68 68 TYR CB C 68 41.249 40.897 0.352 1
1 730 . 15 1 1 A 68 68 TYR C C 68 174.846 174.632 0.214 1
1 732 . 15 1 1 A 69 69 ASN N N 69 122.429 123.602 -1.173 1
1 733 . 15 1 1 A 69 69 ASN H H 69 9.354 9.395 -0.041 1
1 734 . 15 1 1 A 69 69 ASN CA C 69 52.454 52.854 -0.400 1
1 735 . 15 1 1 A 69 69 ASN HA H 69 5.260 4.870 0.390 1
1 736 . 15 1 1 A 69 69 ASN CB C 69 40.922 40.045 0.877 1
1 741 . 15 1 1 A 69 69 ASN C C 69 174.835 174.233 0.602 1
1 743 . 15 1 1 A 70 70 VAL N N 70 131.599 126.138 5.461 1
1 744 . 15 1 1 A 70 70 VAL H H 70 9.157 8.198 0.959 1
1 745 . 15 1 1 A 70 70 VAL CA C 70 60.900 60.848 0.052 1
1 746 . 15 1 1 A 70 70 VAL HA H 70 4.910 5.001 -0.091 1
1 747 . 15 1 1 A 70 70 VAL CB C 70 31.882 33.862 -1.980 1
1 757 . 15 1 1 A 70 70 VAL C C 70 174.368 174.292 0.076 1
1 758 . 15 1 1 A 71 71 THR N N 71 119.213 122.451 -3.238 1
1 759 . 15 1 1 A 71 71 THR H H 71 8.996 8.809 0.187 1
1 760 . 15 1 1 A 71 71 THR CA C 71 59.796 61.216 -1.420 1
1 761 . 15 1 1 A 71 71 THR HA H 71 5.614 5.040 0.574 1
1 762 . 15 1 1 A 71 71 THR CB C 71 72.339 71.101 1.238 1
1 768 . 15 1 1 A 71 71 THR C C 71 173.260 173.411 -0.151 1
1 769 . 15 1 1 A 72 72 TYR N N 72 121.105 121.444 -0.339 1
1 770 . 15 1 1 A 72 72 TYR H H 72 9.200 8.323 0.877 1
1 771 . 15 1 1 A 72 72 TYR CA C 72 56.112 55.442 0.670 1
1 772 . 15 1 1 A 72 72 TYR HA H 72 5.600 5.615 -0.015 1
1 773 . 15 1 1 A 72 72 TYR CB C 72 41.878 41.538 0.340 1
1 783 . 15 1 1 A 72 72 TYR C C 72 173.176 173.027 0.149 1
1 785 . 15 1 1 A 73 73 VAL N N 73 118.799 119.556 -0.757 1
1 786 . 15 1 1 A 73 73 VAL H H 73 8.214 8.745 -0.531 1
1 787 . 15 1 1 A 73 73 VAL CA C 73 61.111 60.721 0.390 1
1 788 . 15 1 1 A 73 73 VAL HA H 73 4.514 4.902 -0.388 1
1 789 . 15 1 1 A 73 73 VAL CB C 73 35.729 35.863 -0.134 1
1 799 . 15 1 1 A 73 73 VAL C C 73 175.529 174.701 0.828 1
1 800 . 15 1 1 A 74 74 VAL N N 74 121.061 121.150 -0.089 1
1 801 . 15 1 1 A 74 74 VAL H H 74 8.947 8.950 -0.003 1
1 802 . 15 1 1 A 74 74 VAL CA C 74 59.858 59.615 0.243 1
1 803 . 15 1 1 A 74 74 VAL HA H 74 4.785 4.829 -0.044 1
1 804 . 15 1 1 A 74 74 VAL CB C 74 32.795 35.056 -2.261 1
1 814 . 15 1 1 A 74 74 VAL C C 74 176.022 175.789 0.233 1
1 815 . 15 1 1 A 75 75 LYS N N 75 120.273 123.775 -3.502 1
1 816 . 15 1 1 A 75 75 LYS H H 75 9.404 8.931 0.473 1
1 817 . 15 1 1 A 75 75 LYS CA C 75 55.705 56.582 -0.877 1
1 818 . 15 1 1 A 75 75 LYS HA H 75 4.653 4.579 0.074 1
1 819 . 15 1 1 A 75 75 LYS CB C 75 34.767 32.816 1.951 1
1 827 . 15 1 1 A 75 75 LYS C C 75 175.025 175.776 -0.751 1
1 832 . 15 1 1 A 76 76 GLU N N 76 117.540 119.670 -2.130 1
1 833 . 15 1 1 A 76 76 GLU H H 76 7.224 7.722 -0.498 1
1 834 . 15 1 1 A 76 76 GLU CA C 76 54.893 55.593 -0.700 1
1 835 . 15 1 1 A 76 76 GLU HA H 76 4.747 4.831 -0.084 1
1 836 . 15 1 1 A 76 76 GLU CB C 76 33.199 33.188 0.011 1
1 840 . 15 1 1 A 76 76 GLU C C 76 175.664 174.731 0.933 1
1 843 . 15 1 1 A 77 77 ARG N N 77 125.564 120.501 5.063 1
1 844 . 15 1 1 A 77 77 ARG H H 77 8.906 8.617 0.289 1
1 845 . 15 1 1 A 77 77 ARG CA C 77 56.610 54.133 2.477 1
1 846 . 15 1 1 A 77 77 ARG HA H 77 4.234 5.161 -0.927 1
1 847 . 15 1 1 A 77 77 ARG CB C 77 31.036 33.487 -2.451 1
1 855 . 15 1 1 A 77 77 ARG C C 77 174.779 174.835 -0.056 1
1 859 . 15 1 1 A 78 78 GLY N N 78 108.773 106.505 2.268 1
1 860 . 15 1 1 A 78 78 GLY H H 78 8.928 8.278 0.650 1
1 861 . 15 1 1 A 78 78 GLY CA C 78 44.418 44.488 -0.070 1
1 862 . 15 1 1 A 78 78 GLY HA3 H 78 3.770 4.162 -0.392 1
1 863 . 15 1 1 A 78 78 GLY C C 78 171.452 172.395 -0.943 1
1 864 . 15 1 1 A 78 78 GLY HA2 H 78 4.467 4.120 0.347 1
1 865 . 15 1 1 A 79 79 ASP N N 79 120.109 121.301 -1.192 1
1 866 . 15 1 1 A 79 79 ASP H H 79 8.070 8.435 -0.365 1
1 867 . 15 1 1 A 79 79 ASP CA C 79 54.204 52.582 1.622 1
1 868 . 15 1 1 A 79 79 ASP HA H 79 5.344 5.647 -0.303 1
1 869 . 15 1 1 A 79 79 ASP CB C 79 42.148 42.800 -0.652 1
1 871 . 15 1 1 A 79 79 ASP C C 79 175.474 174.814 0.660 1
1 873 . 15 1 1 A 80 80 TYR N N 80 121.969 122.486 -0.517 1
1 874 . 15 1 1 A 80 80 TYR H H 80 9.412 9.063 0.349 1
1 875 . 15 1 1 A 80 80 TYR CA C 80 56.872 56.395 0.477 1
1 876 . 15 1 1 A 80 80 TYR HA H 80 4.821 5.306 -0.485 1
1 877 . 15 1 1 A 80 80 TYR CB C 80 41.557 41.584 -0.027 1
1 887 . 15 1 1 A 80 80 TYR C C 80 175.552 175.219 0.333 1
1 889 . 15 1 1 A 81 81 VAL N N 81 121.669 120.750 0.919 1
1 890 . 15 1 1 A 81 81 VAL H H 81 8.688 9.000 -0.312 1
1 891 . 15 1 1 A 81 81 VAL CA C 81 61.217 61.452 -0.235 1
1 892 . 15 1 1 A 81 81 VAL HA H 81 4.606 4.763 -0.157 1
1 893 . 15 1 1 A 81 81 VAL CB C 81 33.990 33.886 0.104 1
1 903 . 15 1 1 A 81 81 VAL C C 81 173.568 174.393 -0.825 1
1 904 . 15 1 1 A 82 82 LEU N N 82 129.806 130.495 -0.689 1
1 905 . 15 1 1 A 82 82 LEU H H 82 8.873 8.512 0.361 1
1 906 . 15 1 1 A 82 82 LEU CA C 82 53.321 53.998 -0.677 1
1 907 . 15 1 1 A 82 82 LEU HA H 82 5.150 4.935 0.215 1
1 908 . 15 1 1 A 82 82 LEU CB C 82 44.594 44.143 0.451 1
1 920 . 15 1 1 A 82 82 LEU C C 82 174.427 174.876 -0.449 1
1 922 . 15 1 1 A 83 83 ALA N N 83 128.482 129.576 -1.094 1
1 923 . 15 1 1 A 83 83 ALA H H 83 9.294 9.046 0.248 1
1 924 . 15 1 1 A 83 83 ALA CA C 83 50.133 50.605 -0.472 1
1 925 . 15 1 1 A 83 83 ALA HA H 83 5.081 5.294 -0.213 1
1 926 . 15 1 1 A 83 83 ALA CB C 83 21.500 21.140 0.360 1
1 930 . 15 1 1 A 83 83 ALA C C 83 174.991 176.034 -1.043 1
1 931 . 15 1 1 A 84 84 VAL N N 84 121.691 123.912 -2.221 1
1 932 . 15 1 1 A 84 84 VAL H H 84 9.222 9.056 0.166 1
1 933 . 15 1 1 A 84 84 VAL CA C 84 61.324 61.271 0.053 1
1 934 . 15 1 1 A 84 84 VAL HA H 84 4.785 4.725 0.060 1
1 935 . 15 1 1 A 84 84 VAL CB C 84 34.116 34.425 -0.309 1
1 945 . 15 1 1 A 84 84 VAL C C 84 174.156 174.875 -0.719 1
1 946 . 15 1 1 A 85 85 LYS N N 85 124.020 126.406 -2.386 1
1 947 . 15 1 1 A 85 85 LYS H H 85 9.193 8.445 0.748 1
1 948 . 15 1 1 A 85 85 LYS CA C 85 54.222 54.727 -0.505 1
1 949 . 15 1 1 A 85 85 LYS HA H 85 4.958 5.134 -0.176 1
1 950 . 15 1 1 A 85 85 LYS CB C 85 34.814 35.195 -0.381 1
1 958 . 15 1 1 A 85 85 LYS C C 85 173.704 175.406 -1.702 1
1 963 . 15 1 1 A 86 86 TRP N N 86 123.429 124.303 -0.874 1
1 964 . 15 1 1 A 86 86 TRP H H 86 8.623 8.998 -0.375 1
1 965 . 15 1 1 A 86 86 TRP CA C 86 53.803 56.812 -3.009 1
1 966 . 15 1 1 A 86 86 TRP HA H 86 5.583 4.911 0.672 1
1 967 . 15 1 1 A 86 86 TRP CB C 86 32.084 31.533 0.551 1
1 981 . 15 1 1 A 86 86 TRP C C 86 176.916 175.870 1.046 1
1 983 . 15 1 1 A 87 87 GLY N N 87 116.722 114.801 1.921 1
1 984 . 15 1 1 A 87 87 GLY H H 87 8.782 8.709 0.073 1
1 985 . 15 1 1 A 87 87 GLY CA C 87 46.432 46.615 -0.183 1
1 986 . 15 1 1 A 87 87 GLY HA3 H 87 3.152 3.610 -0.458 1
1 987 . 15 1 1 A 87 87 GLY C C 87 173.838 174.101 -0.263 1
1 988 . 15 1 1 A 87 87 GLY HA2 H 87 3.732 3.418 0.314 1
1 989 . 15 1 1 A 88 88 GLU N N 88 122.405 110.618 11.787 1
1 990 . 15 1 1 A 88 88 GLU H H 88 8.592 8.432 0.160 1
1 991 . 15 1 1 A 88 88 GLU CA C 88 56.004 57.746 -1.742 1
1 992 . 15 1 1 A 88 88 GLU HA H 88 4.057 3.829 0.228 1
1 993 . 15 1 1 A 88 88 GLU CB C 88 29.764 27.388 2.376 1
1 997 . 15 1 1 A 88 88 GLU C C 88 176.465 174.886 1.579 1
1 1000 . 15 1 1 A 89 89 GLU N N 89 117.358 117.371 -0.013 1
1 1001 . 15 1 1 A 89 89 GLU H H 89 7.226 7.568 -0.342 1
1 1002 . 15 1 1 A 89 89 GLU CA C 89 54.921 54.763 0.158 1
1 1003 . 15 1 1 A 89 89 GLU HA H 89 4.580 5.170 -0.590 1
1 1004 . 15 1 1 A 89 89 GLU CB C 89 33.160 34.340 -1.180 1
1 1008 . 15 1 1 A 89 89 GLU C C 89 175.674 175.116 0.558 1
1 1011 . 15 1 1 A 90 90 HIS N N 90 122.210 116.424 5.786 1
1 1012 . 15 1 1 A 90 90 HIS H H 90 8.603 8.781 -0.178 1
1 1013 . 15 1 1 A 90 90 HIS CA C 90 58.321 54.613 3.708 1
1 1014 . 15 1 1 A 90 90 HIS HA H 90 4.343 5.145 -0.802 1
1 1015 . 15 1 1 A 90 90 HIS CB C 90 32.786 31.960 0.826 1
1 1021 . 15 1 1 A 90 90 HIS C C 90 177.001 175.268 1.733 1
1 1023 . 15 1 1 A 91 91 ILE N N 91 117.760 122.370 -4.610 1
1 1024 . 15 1 1 A 91 91 ILE H H 91 8.289 8.174 0.115 1
1 1025 . 15 1 1 A 91 91 ILE CA C 91 61.019 60.238 0.781 1
1 1026 . 15 1 1 A 91 91 ILE HA H 91 4.482 4.241 0.241 1
1 1027 . 15 1 1 A 91 91 ILE CB C 91 35.655 37.806 -2.151 1
1 1039 . 15 1 1 A 91 91 ILE C C 91 173.231 175.456 -2.225 1
1 1041 . 15 1 1 A 92 92 PRO CA C 92 65.378 63.479 1.899 1
1 1042 . 15 1 1 A 92 92 PRO HA H 92 4.207 4.316 -0.109 1
1 1043 . 15 1 1 A 92 92 PRO CB C 92 31.301 31.068 0.233 1
1 1049 . 15 1 1 A 92 92 PRO C C 92 177.559 177.388 0.171 1
1 1053 . 15 1 1 A 93 93 GLY N N 93 115.174 113.190 1.984 1
1 1054 . 15 1 1 A 93 93 GLY H H 93 8.291 8.681 -0.390 1
1 1055 . 15 1 1 A 93 93 GLY CA C 93 44.729 44.844 -0.115 1
1 1056 . 15 1 1 A 93 93 GLY HA3 H 93 3.122 3.712 -0.590 1
1 1057 . 15 1 1 A 93 93 GLY C C 93 171.695 173.595 -1.900 1
1 1058 . 15 1 1 A 93 93 GLY HA2 H 93 4.116 3.629 0.487 1
1 1059 . 15 1 1 A 94 94 SER N N 94 112.948 116.927 -3.979 1
1 1060 . 15 1 1 A 94 94 SER H H 94 7.612 7.354 0.258 1
1 1061 . 15 1 1 A 94 94 SER CA C 94 54.585 55.147 -0.562 1
1 1062 . 15 1 1 A 94 94 SER HA H 94 4.002 4.486 -0.484 1
1 1063 . 15 1 1 A 94 94 SER CB C 94 62.348 64.601 -2.253 1
1 1065 . 15 1 1 A 94 94 SER C C 94 174.321 172.534 1.787 1
1 1067 . 15 1 1 A 95 95 PRO CA C 95 62.338 62.722 -0.384 1
1 1068 . 15 1 1 A 95 95 PRO HA H 95 5.296 4.826 0.470 1
1 1069 . 15 1 1 A 95 95 PRO CB C 95 33.730 32.746 0.984 1
1 1075 . 15 1 1 A 95 95 PRO C C 95 175.728 176.926 -1.198 1
1 1079 . 15 1 1 A 96 96 PHE N N 96 124.415 120.976 3.439 1
1 1080 . 15 1 1 A 96 96 PHE H H 96 9.643 8.507 1.136 1
1 1081 . 15 1 1 A 96 96 PHE CA C 96 57.405 57.719 -0.314 1
1 1082 . 15 1 1 A 96 96 PHE HA H 96 4.474 4.894 -0.420 1
1 1083 . 15 1 1 A 96 96 PHE CB C 96 40.160 40.168 -0.008 1
1 1095 . 15 1 1 A 96 96 PHE C C 96 175.736 175.371 0.365 1
1 1097 . 15 1 1 A 97 97 HIS N N 97 121.364 121.705 -0.341 1
1 1098 . 15 1 1 A 97 97 HIS H H 97 8.898 8.924 -0.026 1
1 1099 . 15 1 1 A 97 97 HIS CA C 97 55.214 54.466 0.748 1
1 1100 . 15 1 1 A 97 97 HIS HA H 97 5.124 5.217 -0.093 1
1 1101 . 15 1 1 A 97 97 HIS CB C 97 29.981 31.238 -1.257 1
1 1107 . 15 1 1 A 97 97 HIS C C 97 173.895 173.210 0.685 1
1 1109 . 15 1 1 A 98 98 VAL N N 98 127.912 129.124 -1.212 1
1 1110 . 15 1 1 A 98 98 VAL H H 98 8.582 8.619 -0.037 1
1 1111 . 15 1 1 A 98 98 VAL CA C 98 61.467 62.371 -0.904 1
1 1112 . 15 1 1 A 98 98 VAL HA H 98 4.096 4.343 -0.247 1
1 1113 . 15 1 1 A 98 98 VAL CB C 98 35.455 31.877 3.578 1
1 1123 . 15 1 1 A 98 98 VAL C C 98 174.874 175.398 -0.524 1
1 1124 . 15 1 1 A 99 99 THR N N 99 123.090 123.311 -0.221 1
1 1125 . 15 1 1 A 99 99 THR H H 99 8.117 8.875 -0.758 1
1 1126 . 15 1 1 A 99 99 THR CA C 99 62.031 61.803 0.228 1
1 1127 . 15 1 1 A 99 99 THR HA H 99 4.852 4.869 -0.017 1
1 1128 . 15 1 1 A 99 99 THR CB C 99 70.661 69.856 0.805 1
1 1134 . 15 1 1 A 99 99 THR C C 99 173.264 174.096 -0.832 1
1 1135 . 15 1 1 A 100 100 VAL N N 100 129.827 126.555 3.272 1
1 1136 . 15 1 1 A 100 100 VAL H H 100 8.812 8.724 0.088 1
1 1137 . 15 1 1 A 100 100 VAL CA C 100 58.577 58.522 0.055 1
1 1138 . 15 1 1 A 100 100 VAL HA H 100 5.053 4.677 0.376 1
1 1139 . 15 1 1 A 100 100 VAL CB C 100 33.365 33.775 -0.410 1
1 1149 . 15 1 1 A 100 100 VAL C C 100 174.927 174.176 0.751 1
1 1 . 16 1 1 A 6 6 SER CA C 6 58.666 57.481 1.185 1
1 2 . 16 1 1 A 6 6 SER HA H 6 4.514 4.706 -0.192 1
1 3 . 16 1 1 A 6 6 SER CB C 6 63.933 65.493 -1.560 1
1 5 . 16 1 1 A 6 6 SER C C 6 175.074 172.471 2.603 1
1 7 . 16 1 1 A 7 7 GLY N N 7 110.792 110.906 -0.114 1
1 8 . 16 1 1 A 7 7 GLY H H 7 8.450 8.720 -0.270 1
1 9 . 16 1 1 A 7 7 GLY CA C 7 45.406 44.440 0.966 1
1 10 . 16 1 1 A 7 7 GLY HA3 H 7 4.052 4.394 -0.342 1
1 11 . 16 1 1 A 7 7 GLY C C 7 174.270 174.840 -0.570 1
1 12 . 16 1 1 A 7 7 GLY HA2 H 7 4.052 4.394 -0.342 1
1 13 . 16 1 1 A 8 8 SER N N 8 115.558 116.534 -0.976 1
1 14 . 16 1 1 A 8 8 SER H H 8 8.274 9.040 -0.766 1
1 15 . 16 1 1 A 8 8 SER CA C 8 58.332 60.911 -2.579 1
1 16 . 16 1 1 A 8 8 SER HA H 8 4.557 4.319 0.238 1
1 17 . 16 1 1 A 8 8 SER CB C 8 63.930 63.026 0.904 1
1 19 . 16 1 1 A 8 8 SER C C 8 174.064 174.280 -0.216 1
1 21 . 16 1 1 A 9 9 SER N N 9 116.801 118.070 -1.269 1
1 22 . 16 1 1 A 9 9 SER H H 9 8.227 7.635 0.592 1
1 23 . 16 1 1 A 9 9 SER CA C 9 58.075 57.716 0.359 1
1 24 . 16 1 1 A 9 9 SER HA H 9 5.001 5.467 -0.466 1
1 25 . 16 1 1 A 9 9 SER CB C 9 64.491 64.694 -0.203 1
1 27 . 16 1 1 A 9 9 SER C C 9 174.318 173.324 0.994 1
1 29 . 16 1 1 A 10 10 ASP N N 10 122.324 126.205 -3.881 1
1 30 . 16 1 1 A 10 10 ASP H H 10 8.262 9.190 -0.928 1
1 31 . 16 1 1 A 10 10 ASP CA C 10 53.833 53.372 0.461 1
1 32 . 16 1 1 A 10 10 ASP HA H 10 4.892 5.304 -0.412 1
1 33 . 16 1 1 A 10 10 ASP CB C 10 41.497 42.967 -1.470 1
1 35 . 16 1 1 A 10 10 ASP C C 10 176.306 176.370 -0.064 1
1 37 . 16 1 1 A 11 11 ALA N N 11 126.255 126.048 0.207 1
1 38 . 16 1 1 A 11 11 ALA H H 11 9.091 9.233 -0.142 1
1 39 . 16 1 1 A 11 11 ALA CA C 11 54.713 55.338 -0.625 1
1 40 . 16 1 1 A 11 11 ALA HA H 11 4.056 4.166 -0.110 1
1 41 . 16 1 1 A 11 11 ALA CB C 11 20.177 18.455 1.722 1
1 45 . 16 1 1 A 11 11 ALA C C 11 177.950 179.654 -1.704 1
1 46 . 16 1 1 A 12 12 SER N N 12 110.658 113.781 -3.123 1
1 47 . 16 1 1 A 12 12 SER H H 12 8.224 8.071 0.153 1
1 48 . 16 1 1 A 12 12 SER CA C 12 60.857 61.662 -0.805 1
1 49 . 16 1 1 A 12 12 SER HA H 12 4.240 4.153 0.087 1
1 50 . 16 1 1 A 12 12 SER CB C 12 62.964 63.117 -0.153 1
1 52 . 16 1 1 A 12 12 SER C C 12 175.312 176.202 -0.890 1
1 54 . 16 1 1 A 13 13 LYS N N 13 119.063 117.681 1.382 1
1 55 . 16 1 1 A 13 13 LYS H H 13 7.349 7.800 -0.451 1
1 56 . 16 1 1 A 13 13 LYS CA C 13 54.948 57.911 -2.963 1
1 57 . 16 1 1 A 13 13 LYS HA H 13 4.293 4.350 -0.057 1
1 58 . 16 1 1 A 13 13 LYS CB C 13 33.037 32.974 0.063 1
1 66 . 16 1 1 A 13 13 LYS C C 13 177.263 177.500 -0.237 1
1 71 . 16 1 1 A 14 14 VAL N N 14 124.317 120.653 3.664 1
1 72 . 16 1 1 A 14 14 VAL H H 14 7.500 7.292 0.208 1
1 73 . 16 1 1 A 14 14 VAL CA C 14 63.797 62.871 0.926 1
1 74 . 16 1 1 A 14 14 VAL HA H 14 3.870 3.708 0.162 1
1 75 . 16 1 1 A 14 14 VAL CB C 14 31.996 31.254 0.742 1
1 85 . 16 1 1 A 14 14 VAL C C 14 175.873 175.362 0.511 1
1 86 . 16 1 1 A 15 15 THR N N 15 117.704 119.215 -1.511 1
1 87 . 16 1 1 A 15 15 THR H H 15 8.197 8.529 -0.332 1
1 88 . 16 1 1 A 15 15 THR CA C 15 59.805 59.457 0.348 1
1 89 . 16 1 1 A 15 15 THR HA H 15 4.911 5.349 -0.438 1
1 90 . 16 1 1 A 15 15 THR CB C 15 71.373 71.606 -0.233 1
1 96 . 16 1 1 A 15 15 THR C C 15 172.695 174.053 -1.358 1
1 97 . 16 1 1 A 16 16 SER N N 16 113.256 118.168 -4.912 1
1 98 . 16 1 1 A 16 16 SER H H 16 8.442 9.136 -0.694 1
1 99 . 16 1 1 A 16 16 SER CA C 16 57.155 56.235 0.920 1
1 100 . 16 1 1 A 16 16 SER HA H 16 5.564 5.525 0.039 1
1 101 . 16 1 1 A 16 16 SER CB C 16 66.124 65.837 0.287 1
1 103 . 16 1 1 A 16 16 SER C C 16 173.455 173.665 -0.210 1
1 105 . 16 1 1 A 17 17 LYS N N 17 117.543 120.773 -3.230 1
1 106 . 16 1 1 A 17 17 LYS H H 17 8.870 9.193 -0.323 1
1 107 . 16 1 1 A 17 17 LYS CA C 17 56.063 54.420 1.643 1
1 108 . 16 1 1 A 17 17 LYS HA H 17 4.673 5.140 -0.467 1
1 109 . 16 1 1 A 17 17 LYS CB C 17 35.602 36.404 -0.802 1
1 117 . 16 1 1 A 17 17 LYS C C 17 174.625 174.957 -0.332 1
1 122 . 16 1 1 A 18 18 GLY N N 18 110.702 107.967 2.735 1
1 123 . 16 1 1 A 18 18 GLY H H 18 8.746 8.542 0.204 1
1 124 . 16 1 1 A 18 18 GLY CA C 18 44.501 44.384 0.117 1
1 125 . 16 1 1 A 18 18 GLY HA3 H 18 3.998 4.316 -0.318 1
1 126 . 16 1 1 A 18 18 GLY C C 18 175.460 174.795 0.665 1
1 127 . 16 1 1 A 18 18 GLY HA2 H 18 4.947 4.268 0.679 1
1 128 . 16 1 1 A 19 19 ALA CA C 19 55.387 55.039 0.348 1
1 129 . 16 1 1 A 19 19 ALA HA H 19 4.229 4.069 0.160 1
1 130 . 16 1 1 A 19 19 ALA CB C 19 18.689 18.713 -0.024 1
1 134 . 16 1 1 A 19 19 ALA C C 19 179.606 179.814 -0.208 1
1 135 . 16 1 1 A 20 20 GLY N N 20 101.587 107.049 -5.462 1
1 136 . 16 1 1 A 20 20 GLY H H 20 8.466 7.821 0.645 1
1 137 . 16 1 1 A 20 20 GLY CA C 20 46.078 47.205 -1.127 1
1 138 . 16 1 1 A 20 20 GLY HA3 H 20 3.596 3.901 -0.305 1
1 139 . 16 1 1 A 20 20 GLY C C 20 173.214 176.509 -3.295 1
1 140 . 16 1 1 A 20 20 GLY HA2 H 20 4.689 3.882 0.807 1
1 141 . 16 1 1 A 21 21 LEU N N 21 115.987 122.951 -6.964 1
1 142 . 16 1 1 A 21 21 LEU H H 21 6.928 7.919 -0.991 1
1 143 . 16 1 1 A 21 21 LEU CA C 21 55.567 57.395 -1.828 1
1 144 . 16 1 1 A 21 21 LEU HA H 21 3.404 3.828 -0.424 1
1 145 . 16 1 1 A 21 21 LEU CB C 21 41.702 40.989 0.713 1
1 157 . 16 1 1 A 21 21 LEU C C 21 175.989 179.626 -3.637 1
1 159 . 16 1 1 A 22 22 SER N N 22 106.483 113.565 -7.082 1
1 160 . 16 1 1 A 22 22 SER H H 22 7.808 7.897 -0.089 1
1 161 . 16 1 1 A 22 22 SER CA C 22 58.956 61.152 -2.196 1
1 162 . 16 1 1 A 22 22 SER HA H 22 4.901 4.408 0.493 1
1 163 . 16 1 1 A 22 22 SER CB C 22 66.238 63.645 2.593 1
1 165 . 16 1 1 A 22 22 SER C C 22 174.051 174.123 -0.072 1
1 167 . 16 1 1 A 23 23 LYS N N 23 124.757 115.055 9.702 1
1 168 . 16 1 1 A 23 23 LYS H H 23 8.399 8.043 0.356 1
1 169 . 16 1 1 A 23 23 LYS CA C 23 55.676 54.981 0.695 1
1 170 . 16 1 1 A 23 23 LYS HA H 23 4.973 4.758 0.215 1
1 171 . 16 1 1 A 23 23 LYS CB C 23 36.338 35.759 0.579 1
1 179 . 16 1 1 A 23 23 LYS C C 23 173.136 174.072 -0.936 1
1 184 . 16 1 1 A 24 24 ALA N N 24 123.565 121.872 1.693 1
1 185 . 16 1 1 A 24 24 ALA H H 24 7.541 8.950 -1.409 1
1 186 . 16 1 1 A 24 24 ALA CA C 24 51.148 50.694 0.454 1
1 187 . 16 1 1 A 24 24 ALA HA H 24 4.256 5.505 -1.249 1
1 188 . 16 1 1 A 24 24 ALA CB C 24 22.019 24.043 -2.024 1
1 192 . 16 1 1 A 24 24 ALA C C 24 173.515 175.748 -2.233 1
1 193 . 16 1 1 A 25 25 PHE N N 25 114.269 116.426 -2.157 1
1 194 . 16 1 1 A 25 25 PHE H H 25 7.858 8.972 -1.114 1
1 195 . 16 1 1 A 25 25 PHE CA C 25 55.809 56.321 -0.512 1
1 196 . 16 1 1 A 25 25 PHE HA H 25 5.191 4.998 0.193 1
1 197 . 16 1 1 A 25 25 PHE CB C 25 41.943 42.474 -0.531 1
1 209 . 16 1 1 A 25 25 PHE C C 25 177.046 175.400 1.646 1
1 211 . 16 1 1 A 26 26 VAL N N 26 123.270 123.276 -0.006 1
1 212 . 16 1 1 A 26 26 VAL H H 26 9.338 8.678 0.660 1
1 213 . 16 1 1 A 26 26 VAL CA C 26 65.054 65.232 -0.178 1
1 214 . 16 1 1 A 26 26 VAL HA H 26 3.441 3.541 -0.100 1
1 215 . 16 1 1 A 26 26 VAL CB C 26 31.757 31.526 0.231 1
1 225 . 16 1 1 A 26 26 VAL C C 26 178.201 177.265 0.936 1
1 226 . 16 1 1 A 27 27 GLY N N 27 112.668 114.765 -2.097 1
1 227 . 16 1 1 A 27 27 GLY H H 27 8.862 8.694 0.168 1
1 228 . 16 1 1 A 27 27 GLY CA C 27 45.857 45.445 0.412 1
1 229 . 16 1 1 A 27 27 GLY HA3 H 27 4.229 4.034 0.195 1
1 230 . 16 1 1 A 27 27 GLY C C 27 173.411 174.228 -0.817 1
1 231 . 16 1 1 A 27 27 GLY HA2 H 27 3.631 4.030 -0.399 1
1 232 . 16 1 1 A 28 28 GLN N N 28 118.568 120.857 -2.289 1
1 233 . 16 1 1 A 28 28 GLN H H 28 7.755 8.138 -0.383 1
1 234 . 16 1 1 A 28 28 GLN CA C 28 53.825 56.593 -2.768 1
1 235 . 16 1 1 A 28 28 GLN HA H 28 4.690 4.315 0.375 1
1 236 . 16 1 1 A 28 28 GLN CB C 28 30.975 29.840 1.135 1
1 243 . 16 1 1 A 28 28 GLN C C 28 175.517 175.347 0.170 1
1 246 . 16 1 1 A 29 29 LYS N N 29 123.598 124.818 -1.220 1
1 247 . 16 1 1 A 29 29 LYS H H 29 8.839 8.726 0.113 1
1 248 . 16 1 1 A 29 29 LYS CA C 29 57.587 56.235 1.352 1
1 249 . 16 1 1 A 29 29 LYS HA H 29 4.158 4.502 -0.344 1
1 250 . 16 1 1 A 29 29 LYS CB C 29 32.381 32.956 -0.575 1
1 258 . 16 1 1 A 29 29 LYS C C 29 176.190 174.870 1.320 1
1 263 . 16 1 1 A 30 30 SER N N 30 124.030 123.689 0.341 1
1 264 . 16 1 1 A 30 30 SER H H 30 8.694 8.132 0.562 1
1 265 . 16 1 1 A 30 30 SER CA C 30 57.560 58.679 -1.119 1
1 266 . 16 1 1 A 30 30 SER HA H 30 4.758 4.683 0.075 1
1 267 . 16 1 1 A 30 30 SER CB C 30 64.143 63.651 0.492 1
1 269 . 16 1 1 A 30 30 SER C C 30 173.413 173.964 -0.551 1
1 271 . 16 1 1 A 31 31 SER N N 31 116.828 118.911 -2.083 1
1 272 . 16 1 1 A 31 31 SER H H 31 8.894 8.630 0.264 1
1 273 . 16 1 1 A 31 31 SER CA C 31 57.132 55.633 1.499 1
1 274 . 16 1 1 A 31 31 SER HA H 31 6.181 5.347 0.834 1
1 275 . 16 1 1 A 31 31 SER CB C 31 67.745 66.482 1.263 1
1 277 . 16 1 1 A 31 31 SER C C 31 174.171 173.530 0.641 1
1 279 . 16 1 1 A 32 32 PHE N N 32 117.724 117.245 0.479 1
1 280 . 16 1 1 A 32 32 PHE H H 32 8.853 8.607 0.246 1
1 281 . 16 1 1 A 32 32 PHE CA C 32 57.190 56.188 1.002 1
1 282 . 16 1 1 A 32 32 PHE HA H 32 5.016 5.176 -0.160 1
1 283 . 16 1 1 A 32 32 PHE CB C 32 40.712 41.689 -0.977 1
1 295 . 16 1 1 A 32 32 PHE C C 32 170.765 172.242 -1.477 1
1 297 . 16 1 1 A 33 33 LEU N N 33 121.533 123.680 -2.147 1
1 298 . 16 1 1 A 33 33 LEU H H 33 9.223 9.044 0.179 1
1 299 . 16 1 1 A 33 33 LEU CA C 33 53.636 53.427 0.209 1
1 300 . 16 1 1 A 33 33 LEU HA H 33 5.531 5.184 0.347 1
1 301 . 16 1 1 A 33 33 LEU CB C 33 46.278 45.510 0.768 1
1 313 . 16 1 1 A 33 33 LEU C C 33 176.559 174.431 2.128 1
1 315 . 16 1 1 A 34 34 VAL N N 34 123.140 125.960 -2.820 1
1 316 . 16 1 1 A 34 34 VAL H H 34 9.257 8.374 0.883 1
1 317 . 16 1 1 A 34 34 VAL CA C 34 61.182 61.331 -0.149 1
1 318 . 16 1 1 A 34 34 VAL HA H 34 4.785 4.796 -0.011 1
1 319 . 16 1 1 A 34 34 VAL CB C 34 34.589 35.141 -0.552 1
1 329 . 16 1 1 A 34 34 VAL C C 34 174.370 174.221 0.149 1
1 330 . 16 1 1 A 35 35 ASP N N 35 126.353 127.664 -1.311 1
1 331 . 16 1 1 A 35 35 ASP H H 35 9.312 8.983 0.329 1
1 332 . 16 1 1 A 35 35 ASP CA C 35 53.298 53.879 -0.581 1
1 333 . 16 1 1 A 35 35 ASP HA H 35 5.229 4.857 0.372 1
1 334 . 16 1 1 A 35 35 ASP CB C 35 41.538 40.998 0.540 1
1 336 . 16 1 1 A 35 35 ASP C C 35 176.980 175.895 1.085 1
1 338 . 16 1 1 A 36 36 CYS N N 36 125.342 125.764 -0.422 1
1 339 . 16 1 1 A 36 36 CYS H H 36 9.275 8.616 0.659 1
1 340 . 16 1 1 A 36 36 CYS CA C 36 57.367 58.157 -0.790 1
1 341 . 16 1 1 A 36 36 CYS HA H 36 4.374 4.729 -0.355 1
1 342 . 16 1 1 A 36 36 CYS CB C 36 28.369 28.443 -0.074 1
1 344 . 16 1 1 A 36 36 CYS C C 36 177.015 175.192 1.823 1
1 346 . 16 1 1 A 37 37 SER N N 37 119.973 117.195 2.778 1
1 347 . 16 1 1 A 37 37 SER H H 37 9.039 8.141 0.898 1
1 348 . 16 1 1 A 37 37 SER CA C 37 62.787 61.429 1.358 1
1 349 . 16 1 1 A 37 37 SER HA H 37 3.932 4.297 -0.365 1
1 350 . 16 1 1 A 37 37 SER CB C 37 62.982 63.147 -0.165 1
1 352 . 16 1 1 A 37 37 SER C C 37 176.290 176.530 -0.240 1
1 354 . 16 1 1 A 38 38 LYS N N 38 120.815 119.060 1.755 1
1 355 . 16 1 1 A 38 38 LYS H H 38 8.676 8.062 0.614 1
1 356 . 16 1 1 A 38 38 LYS CA C 38 55.123 59.013 -3.890 1
1 357 . 16 1 1 A 38 38 LYS HA H 38 4.730 4.065 0.665 1
1 358 . 16 1 1 A 38 38 LYS CB C 38 32.250 31.788 0.462 1
1 366 . 16 1 1 A 38 38 LYS C C 38 176.385 178.831 -2.446 1
1 371 . 16 1 1 A 39 39 ALA N N 39 121.594 122.270 -0.676 1
1 372 . 16 1 1 A 39 39 ALA H H 39 7.322 7.942 -0.620 1
1 373 . 16 1 1 A 39 39 ALA CA C 39 52.127 55.048 -2.921 1
1 374 . 16 1 1 A 39 39 ALA HA H 39 4.436 4.130 0.306 1
1 375 . 16 1 1 A 39 39 ALA CB C 39 21.347 19.370 1.977 1
1 379 . 16 1 1 A 39 39 ALA C C 39 177.453 177.867 -0.414 1
1 380 . 16 1 1 A 40 40 GLY N N 40 111.873 102.873 9.000 1
1 381 . 16 1 1 A 40 40 GLY H H 40 8.755 7.147 1.608 1
1 382 . 16 1 1 A 40 40 GLY CA C 40 45.619 46.177 -0.558 1
1 383 . 16 1 1 A 40 40 GLY HA3 H 40 4.329 4.294 0.035 1
1 384 . 16 1 1 A 40 40 GLY C C 40 173.801 172.637 1.164 1
1 385 . 16 1 1 A 40 40 GLY HA2 H 40 3.754 4.245 -0.491 1
1 386 . 16 1 1 A 41 41 SER N N 41 117.149 119.121 -1.972 1
1 387 . 16 1 1 A 41 41 SER H H 41 8.524 8.537 -0.013 1
1 388 . 16 1 1 A 41 41 SER CA C 41 56.849 56.959 -0.110 1
1 389 . 16 1 1 A 41 41 SER HA H 41 5.010 4.958 0.052 1
1 390 . 16 1 1 A 41 41 SER CB C 41 63.917 63.314 0.603 1
1 392 . 16 1 1 A 41 41 SER C C 41 172.603 174.013 -1.410 1
1 394 . 16 1 1 A 42 42 ASN N N 42 125.590 120.638 4.952 1
1 395 . 16 1 1 A 42 42 ASN H H 42 7.155 8.084 -0.929 1
1 396 . 16 1 1 A 42 42 ASN CA C 42 50.805 51.285 -0.480 1
1 397 . 16 1 1 A 42 42 ASN HA H 42 3.256 4.543 -1.287 1
1 398 . 16 1 1 A 42 42 ASN CB C 42 39.354 39.695 -0.341 1
1 403 . 16 1 1 A 42 42 ASN C C 42 170.908 174.638 -3.730 1
1 405 . 16 1 1 A 43 43 MET N N 43 115.129 120.239 -5.110 1
1 406 . 16 1 1 A 43 43 MET H H 43 8.366 7.969 0.397 1
1 407 . 16 1 1 A 43 43 MET CA C 43 53.424 53.209 0.215 1
1 408 . 16 1 1 A 43 43 MET HA H 43 4.102 5.259 -1.157 1
1 409 . 16 1 1 A 43 43 MET CB C 43 35.572 34.492 1.080 1
1 417 . 16 1 1 A 43 43 MET C C 43 173.140 174.301 -1.161 1
1 420 . 16 1 1 A 44 44 LEU N N 44 128.038 125.364 2.674 1
1 421 . 16 1 1 A 44 44 LEU H H 44 8.300 8.473 -0.173 1
1 422 . 16 1 1 A 44 44 LEU CA C 44 53.806 53.956 -0.150 1
1 423 . 16 1 1 A 44 44 LEU HA H 44 5.331 5.035 0.296 1
1 424 . 16 1 1 A 44 44 LEU CB C 44 43.598 43.046 0.552 1
1 436 . 16 1 1 A 44 44 LEU C C 44 175.236 176.115 -0.879 1
1 438 . 16 1 1 A 45 45 LEU N N 45 126.999 122.125 4.874 1
1 439 . 16 1 1 A 45 45 LEU H H 45 9.109 8.560 0.549 1
1 440 . 16 1 1 A 45 45 LEU CA C 45 54.800 52.531 2.269 1
1 441 . 16 1 1 A 45 45 LEU HA H 45 5.135 5.293 -0.158 1
1 442 . 16 1 1 A 45 45 LEU CB C 45 45.499 45.562 -0.063 1
1 454 . 16 1 1 A 45 45 LEU C C 45 175.167 175.622 -0.455 1
1 456 . 16 1 1 A 46 46 ILE N N 46 118.172 120.026 -1.854 1
1 457 . 16 1 1 A 46 46 ILE H H 46 7.966 8.789 -0.823 1
1 458 . 16 1 1 A 46 46 ILE CA C 46 58.091 59.641 -1.550 1
1 459 . 16 1 1 A 46 46 ILE HA H 46 5.412 5.054 0.358 1
1 460 . 16 1 1 A 46 46 ILE CB C 46 41.988 42.188 -0.200 1
1 472 . 16 1 1 A 46 46 ILE C C 46 174.748 175.620 -0.872 1
1 474 . 16 1 1 A 47 47 GLY N N 47 110.148 115.335 -5.187 1
1 475 . 16 1 1 A 47 47 GLY H H 47 8.554 8.617 -0.063 1
1 476 . 16 1 1 A 47 47 GLY CA C 47 46.136 46.358 -0.222 1
1 477 . 16 1 1 A 47 47 GLY HA3 H 47 4.604 4.178 0.426 1
1 478 . 16 1 1 A 47 47 GLY C C 47 171.583 173.041 -1.458 1
1 479 . 16 1 1 A 47 47 GLY HA2 H 47 3.933 4.176 -0.243 1
1 480 . 16 1 1 A 48 48 VAL N N 48 120.434 118.185 2.249 1
1 481 . 16 1 1 A 48 48 VAL H H 48 9.048 7.718 1.330 1
1 482 . 16 1 1 A 48 48 VAL CA C 48 61.060 62.224 -1.164 1
1 483 . 16 1 1 A 48 48 VAL HA H 48 5.143 4.106 1.037 1
1 484 . 16 1 1 A 48 48 VAL CB C 48 34.976 32.247 2.729 1
1 494 . 16 1 1 A 48 48 VAL C C 48 175.260 175.947 -0.687 1
1 495 . 16 1 1 A 49 49 HIS N N 49 127.718 120.779 6.939 1
1 496 . 16 1 1 A 49 49 HIS H H 49 9.556 8.875 0.681 1
1 497 . 16 1 1 A 49 49 HIS CA C 49 55.342 54.748 0.594 1
1 498 . 16 1 1 A 49 49 HIS HA H 49 4.987 4.913 0.074 1
1 499 . 16 1 1 A 49 49 HIS CB C 49 34.476 31.331 3.145 1
1 505 . 16 1 1 A 49 49 HIS C C 49 173.822 175.245 -1.423 1
1 507 . 16 1 1 A 50 50 GLY N N 50 115.577 106.449 9.128 1
1 508 . 16 1 1 A 50 50 GLY H H 50 8.192 8.575 -0.383 1
1 509 . 16 1 1 A 50 50 GLY CA C 50 44.693 45.711 -1.018 1
1 510 . 16 1 1 A 50 50 GLY HA3 H 50 3.247 4.236 -0.989 1
1 511 . 16 1 1 A 50 50 GLY C C 50 171.437 173.484 -2.047 1
1 512 . 16 1 1 A 50 50 GLY HA2 H 50 3.722 4.190 -0.468 1
1 513 . 16 1 1 A 51 51 PRO CA C 51 64.376 65.167 -0.791 1
1 514 . 16 1 1 A 51 51 PRO HA H 51 4.104 4.341 -0.237 1
1 515 . 16 1 1 A 51 51 PRO CB C 51 32.141 32.013 0.128 1
1 521 . 16 1 1 A 51 51 PRO C C 51 177.607 177.830 -0.223 1
1 525 . 16 1 1 A 52 52 THR N N 52 109.088 109.193 -0.105 1
1 526 . 16 1 1 A 52 52 THR H H 52 8.447 7.778 0.669 1
1 527 . 16 1 1 A 52 52 THR CA C 52 62.861 62.180 0.681 1
1 528 . 16 1 1 A 52 52 THR HA H 52 4.424 4.575 -0.151 1
1 529 . 16 1 1 A 52 52 THR CB C 52 70.329 69.906 0.423 1
1 535 . 16 1 1 A 52 52 THR C C 52 174.926 174.334 0.592 1
1 536 . 16 1 1 A 53 53 THR N N 53 118.915 114.786 4.129 1
1 537 . 16 1 1 A 53 53 THR H H 53 7.983 8.246 -0.263 1
1 538 . 16 1 1 A 53 53 THR CA C 53 59.878 59.141 0.737 1
1 539 . 16 1 1 A 53 53 THR HA H 53 4.751 4.627 0.124 1
1 540 . 16 1 1 A 53 53 THR CB C 53 71.034 69.457 1.577 1
1 546 . 16 1 1 A 53 53 THR C C 53 172.019 172.921 -0.902 1
1 547 . 16 1 1 A 54 54 PRO CA C 54 62.614 62.094 0.520 1
1 548 . 16 1 1 A 54 54 PRO HA H 54 4.629 4.475 0.154 1
1 549 . 16 1 1 A 54 54 PRO CB C 54 32.845 32.599 0.246 1
1 555 . 16 1 1 A 54 54 PRO C C 54 177.751 176.460 1.291 1
1 559 . 16 1 1 A 55 55 CYS N N 55 121.538 119.418 2.120 1
1 560 . 16 1 1 A 55 55 CYS H H 55 8.938 8.205 0.733 1
1 561 . 16 1 1 A 55 55 CYS CA C 55 60.342 57.777 2.565 1
1 562 . 16 1 1 A 55 55 CYS HA H 55 4.563 4.711 -0.148 1
1 563 . 16 1 1 A 55 55 CYS CB C 55 27.534 29.205 -1.671 1
1 565 . 16 1 1 A 55 55 CYS C C 55 174.437 175.886 -1.449 1
1 567 . 16 1 1 A 56 56 GLU N N 56 124.530 123.639 0.891 1
1 568 . 16 1 1 A 56 56 GLU H H 56 8.450 8.498 -0.048 1
1 569 . 16 1 1 A 56 56 GLU CA C 56 59.363 59.165 0.198 1
1 570 . 16 1 1 A 56 56 GLU HA H 56 4.471 4.217 0.254 1
1 571 . 16 1 1 A 56 56 GLU CB C 56 31.217 30.507 0.710 1
1 575 . 16 1 1 A 56 56 GLU C C 56 176.847 176.620 0.227 1
1 578 . 16 1 1 A 57 57 GLU N N 57 114.661 113.980 0.681 1
1 579 . 16 1 1 A 57 57 GLU H H 57 7.478 7.735 -0.257 1
1 580 . 16 1 1 A 57 57 GLU CA C 57 55.551 55.454 0.097 1
1 581 . 16 1 1 A 57 57 GLU HA H 57 5.414 4.669 0.745 1
1 582 . 16 1 1 A 57 57 GLU CB C 57 34.084 31.591 2.493 1
1 586 . 16 1 1 A 57 57 GLU C C 57 174.400 173.823 0.577 1
1 589 . 16 1 1 A 58 58 VAL N N 58 123.611 119.691 3.920 1
1 590 . 16 1 1 A 58 58 VAL H H 58 8.605 8.402 0.203 1
1 591 . 16 1 1 A 58 58 VAL CA C 58 62.048 61.677 0.371 1
1 592 . 16 1 1 A 58 58 VAL HA H 58 4.941 4.769 0.172 1
1 593 . 16 1 1 A 58 58 VAL CB C 58 35.700 34.419 1.281 1
1 603 . 16 1 1 A 58 58 VAL C C 58 174.426 174.583 -0.157 1
1 604 . 16 1 1 A 59 59 SER N N 59 121.592 123.850 -2.258 1
1 605 . 16 1 1 A 59 59 SER H H 59 9.635 9.378 0.257 1
1 606 . 16 1 1 A 59 59 SER CA C 59 57.012 57.132 -0.120 1
1 607 . 16 1 1 A 59 59 SER HA H 59 5.526 4.865 0.661 1
1 608 . 16 1 1 A 59 59 SER CB C 59 65.896 63.810 2.086 1
1 610 . 16 1 1 A 59 59 SER C C 59 172.465 173.730 -1.265 1
1 612 . 16 1 1 A 60 60 MET N N 60 122.508 126.917 -4.409 1
1 613 . 16 1 1 A 60 60 MET H H 60 9.435 9.018 0.417 1
1 614 . 16 1 1 A 60 60 MET CA C 60 54.541 53.885 0.656 1
1 615 . 16 1 1 A 60 60 MET HA H 60 5.352 5.749 -0.397 1
1 616 . 16 1 1 A 60 60 MET CB C 60 37.420 34.995 2.425 1
1 624 . 16 1 1 A 60 60 MET C C 60 174.616 175.167 -0.551 1
1 627 . 16 1 1 A 61 61 LYS N N 61 125.580 123.350 2.230 1
1 628 . 16 1 1 A 61 61 LYS H H 61 8.963 9.134 -0.171 1
1 629 . 16 1 1 A 61 61 LYS CA C 61 54.688 54.928 -0.240 1
1 630 . 16 1 1 A 61 61 LYS HA H 61 5.396 4.926 0.470 1
1 631 . 16 1 1 A 61 61 LYS CB C 61 36.412 36.108 0.304 1
1 639 . 16 1 1 A 61 61 LYS C C 61 175.548 175.167 0.381 1
1 644 . 16 1 1 A 62 62 HIS N N 62 125.822 125.150 0.672 1
1 645 . 16 1 1 A 62 62 HIS H H 62 8.967 8.899 0.068 1
1 646 . 16 1 1 A 62 62 HIS CA C 62 55.674 54.126 1.548 1
1 647 . 16 1 1 A 62 62 HIS HA H 62 4.621 4.702 -0.081 1
1 648 . 16 1 1 A 62 62 HIS CB C 62 29.732 28.157 1.575 1
1 654 . 16 1 1 A 62 62 HIS C C 62 175.912 175.191 0.721 1
1 656 . 16 1 1 A 63 63 VAL N N 63 124.131 124.052 0.079 1
1 657 . 16 1 1 A 63 63 VAL H H 63 8.633 7.836 0.797 1
1 658 . 16 1 1 A 63 63 VAL CA C 63 61.288 64.321 -3.033 1
1 659 . 16 1 1 A 63 63 VAL HA H 63 4.299 3.664 0.635 1
1 660 . 16 1 1 A 63 63 VAL CB C 63 30.964 32.353 -1.389 1
1 670 . 16 1 1 A 63 63 VAL C C 63 175.339 175.417 -0.078 1
1 671 . 16 1 1 A 64 64 GLY N N 64 108.087 109.591 -1.504 1
1 672 . 16 1 1 A 64 64 GLY H H 64 5.406 6.822 -1.416 1
1 673 . 16 1 1 A 64 64 GLY CA C 64 44.979 43.353 1.626 1
1 674 . 16 1 1 A 64 64 GLY HA3 H 64 3.118 3.779 -0.661 1
1 675 . 16 1 1 A 64 64 GLY C C 64 174.125 173.592 0.533 1
1 676 . 16 1 1 A 64 64 GLY HA2 H 64 4.287 3.174 1.113 1
1 677 . 16 1 1 A 65 65 ASN N N 65 118.292 117.135 1.157 1
1 678 . 16 1 1 A 65 65 ASN H H 65 9.260 9.234 0.026 1
1 679 . 16 1 1 A 65 65 ASN CA C 65 54.643 54.541 0.102 1
1 680 . 16 1 1 A 65 65 ASN HA H 65 4.401 4.398 0.003 1
1 681 . 16 1 1 A 65 65 ASN CB C 65 37.695 36.960 0.735 1
1 686 . 16 1 1 A 65 65 ASN C C 65 174.079 174.674 -0.595 1
1 688 . 16 1 1 A 66 66 GLN N N 66 111.325 109.035 2.290 1
1 689 . 16 1 1 A 66 66 GLN H H 66 10.512 8.545 1.967 1
1 690 . 16 1 1 A 66 66 GLN CA C 66 57.009 57.272 -0.263 1
1 691 . 16 1 1 A 66 66 GLN HA H 66 3.713 3.931 -0.218 1
1 692 . 16 1 1 A 66 66 GLN CB C 66 24.986 26.689 -1.703 1
1 699 . 16 1 1 A 66 66 GLN C C 66 173.896 174.171 -0.275 1
1 702 . 16 1 1 A 67 67 GLN N N 67 115.692 117.218 -1.526 1
1 703 . 16 1 1 A 67 67 GLN H H 67 7.492 7.727 -0.235 1
1 704 . 16 1 1 A 67 67 GLN CA C 67 54.496 54.347 0.149 1
1 705 . 16 1 1 A 67 67 GLN HA H 67 5.400 4.923 0.477 1
1 706 . 16 1 1 A 67 67 GLN CB C 67 29.896 31.312 -1.416 1
1 713 . 16 1 1 A 67 67 GLN C C 67 175.043 174.014 1.029 1
1 716 . 16 1 1 A 68 68 TYR N N 68 121.249 121.569 -0.320 1
1 717 . 16 1 1 A 68 68 TYR H H 68 9.573 8.853 0.720 1
1 718 . 16 1 1 A 68 68 TYR CA C 68 56.443 56.707 -0.264 1
1 719 . 16 1 1 A 68 68 TYR HA H 68 5.417 5.109 0.308 1
1 720 . 16 1 1 A 68 68 TYR CB C 68 41.249 40.573 0.676 1
1 730 . 16 1 1 A 68 68 TYR C C 68 174.846 174.586 0.260 1
1 732 . 16 1 1 A 69 69 ASN N N 69 122.429 123.710 -1.281 1
1 733 . 16 1 1 A 69 69 ASN H H 69 9.354 9.453 -0.099 1
1 734 . 16 1 1 A 69 69 ASN CA C 69 52.454 53.035 -0.581 1
1 735 . 16 1 1 A 69 69 ASN HA H 69 5.260 4.861 0.399 1
1 736 . 16 1 1 A 69 69 ASN CB C 69 40.922 40.106 0.816 1
1 741 . 16 1 1 A 69 69 ASN C C 69 174.835 174.189 0.646 1
1 743 . 16 1 1 A 70 70 VAL N N 70 131.599 126.045 5.554 1
1 744 . 16 1 1 A 70 70 VAL H H 70 9.157 8.319 0.838 1
1 745 . 16 1 1 A 70 70 VAL CA C 70 60.900 60.613 0.287 1
1 746 . 16 1 1 A 70 70 VAL HA H 70 4.910 5.125 -0.215 1
1 747 . 16 1 1 A 70 70 VAL CB C 70 31.882 33.850 -1.968 1
1 757 . 16 1 1 A 70 70 VAL C C 70 174.368 174.450 -0.082 1
1 758 . 16 1 1 A 71 71 THR N N 71 119.213 121.632 -2.419 1
1 759 . 16 1 1 A 71 71 THR H H 71 8.996 9.054 -0.058 1
1 760 . 16 1 1 A 71 71 THR CA C 71 59.796 61.104 -1.308 1
1 761 . 16 1 1 A 71 71 THR HA H 71 5.614 5.202 0.412 1
1 762 . 16 1 1 A 71 71 THR CB C 71 72.339 71.913 0.426 1
1 768 . 16 1 1 A 71 71 THR C C 71 173.260 173.362 -0.102 1
1 769 . 16 1 1 A 72 72 TYR N N 72 121.105 121.724 -0.619 1
1 770 . 16 1 1 A 72 72 TYR H H 72 9.200 8.419 0.781 1
1 771 . 16 1 1 A 72 72 TYR CA C 72 56.112 55.537 0.575 1
1 772 . 16 1 1 A 72 72 TYR HA H 72 5.600 5.623 -0.023 1
1 773 . 16 1 1 A 72 72 TYR CB C 72 41.878 41.691 0.187 1
1 783 . 16 1 1 A 72 72 TYR C C 72 173.176 173.569 -0.393 1
1 785 . 16 1 1 A 73 73 VAL N N 73 118.799 119.831 -1.032 1
1 786 . 16 1 1 A 73 73 VAL H H 73 8.214 8.722 -0.508 1
1 787 . 16 1 1 A 73 73 VAL CA C 73 61.111 61.454 -0.343 1
1 788 . 16 1 1 A 73 73 VAL HA H 73 4.514 4.809 -0.295 1
1 789 . 16 1 1 A 73 73 VAL CB C 73 35.729 34.704 1.025 1
1 799 . 16 1 1 A 73 73 VAL C C 73 175.529 175.284 0.245 1
1 800 . 16 1 1 A 74 74 VAL N N 74 121.061 123.405 -2.344 1
1 801 . 16 1 1 A 74 74 VAL H H 74 8.947 9.025 -0.078 1
1 802 . 16 1 1 A 74 74 VAL CA C 74 59.858 59.320 0.538 1
1 803 . 16 1 1 A 74 74 VAL HA H 74 4.785 4.882 -0.097 1
1 804 . 16 1 1 A 74 74 VAL CB C 74 32.795 34.123 -1.328 1
1 814 . 16 1 1 A 74 74 VAL C C 74 176.022 175.740 0.282 1
1 815 . 16 1 1 A 75 75 LYS N N 75 120.273 122.251 -1.978 1
1 816 . 16 1 1 A 75 75 LYS H H 75 9.404 8.974 0.430 1
1 817 . 16 1 1 A 75 75 LYS CA C 75 55.705 56.864 -1.159 1
1 818 . 16 1 1 A 75 75 LYS HA H 75 4.653 4.480 0.173 1
1 819 . 16 1 1 A 75 75 LYS CB C 75 34.767 33.638 1.129 1
1 827 . 16 1 1 A 75 75 LYS C C 75 175.025 176.648 -1.623 1
1 832 . 16 1 1 A 76 76 GLU N N 76 117.540 120.526 -2.986 1
1 833 . 16 1 1 A 76 76 GLU H H 76 7.224 7.780 -0.556 1
1 834 . 16 1 1 A 76 76 GLU CA C 76 54.893 55.474 -0.581 1
1 835 . 16 1 1 A 76 76 GLU HA H 76 4.747 4.927 -0.180 1
1 836 . 16 1 1 A 76 76 GLU CB C 76 33.199 32.124 1.075 1
1 840 . 16 1 1 A 76 76 GLU C C 76 175.664 175.997 -0.333 1
1 843 . 16 1 1 A 77 77 ARG N N 77 125.564 120.653 4.911 1
1 844 . 16 1 1 A 77 77 ARG H H 77 8.906 8.553 0.353 1
1 845 . 16 1 1 A 77 77 ARG CA C 77 56.610 54.114 2.496 1
1 846 . 16 1 1 A 77 77 ARG HA H 77 4.234 5.030 -0.796 1
1 847 . 16 1 1 A 77 77 ARG CB C 77 31.036 32.725 -1.689 1
1 855 . 16 1 1 A 77 77 ARG C C 77 174.779 175.611 -0.832 1
1 859 . 16 1 1 A 78 78 GLY N N 78 108.773 107.527 1.246 1
1 860 . 16 1 1 A 78 78 GLY H H 78 8.928 8.500 0.428 1
1 861 . 16 1 1 A 78 78 GLY CA C 78 44.418 44.137 0.281 1
1 862 . 16 1 1 A 78 78 GLY HA3 H 78 3.770 4.120 -0.350 1
1 863 . 16 1 1 A 78 78 GLY C C 78 171.452 173.021 -1.569 1
1 864 . 16 1 1 A 78 78 GLY HA2 H 78 4.467 4.109 0.358 1
1 865 . 16 1 1 A 79 79 ASP N N 79 120.109 121.223 -1.114 1
1 866 . 16 1 1 A 79 79 ASP H H 79 8.070 8.367 -0.297 1
1 867 . 16 1 1 A 79 79 ASP CA C 79 54.204 54.764 -0.560 1
1 868 . 16 1 1 A 79 79 ASP HA H 79 5.344 5.012 0.332 1
1 869 . 16 1 1 A 79 79 ASP CB C 79 42.148 41.191 0.957 1
1 871 . 16 1 1 A 79 79 ASP C C 79 175.474 175.676 -0.202 1
1 873 . 16 1 1 A 80 80 TYR N N 80 121.969 122.291 -0.322 1
1 874 . 16 1 1 A 80 80 TYR H H 80 9.412 9.566 -0.154 1
1 875 . 16 1 1 A 80 80 TYR CA C 80 56.872 56.636 0.236 1
1 876 . 16 1 1 A 80 80 TYR HA H 80 4.821 5.301 -0.480 1
1 877 . 16 1 1 A 80 80 TYR CB C 80 41.557 42.966 -1.409 1
1 887 . 16 1 1 A 80 80 TYR C C 80 175.552 174.928 0.624 1
1 889 . 16 1 1 A 81 81 VAL N N 81 121.669 119.796 1.873 1
1 890 . 16 1 1 A 81 81 VAL H H 81 8.688 8.659 0.029 1
1 891 . 16 1 1 A 81 81 VAL CA C 81 61.217 60.803 0.414 1
1 892 . 16 1 1 A 81 81 VAL HA H 81 4.606 4.963 -0.357 1
1 893 . 16 1 1 A 81 81 VAL CB C 81 33.990 35.324 -1.334 1
1 903 . 16 1 1 A 81 81 VAL C C 81 173.568 174.184 -0.616 1
1 904 . 16 1 1 A 82 82 LEU N N 82 129.806 130.138 -0.332 1
1 905 . 16 1 1 A 82 82 LEU H H 82 8.873 8.697 0.176 1
1 906 . 16 1 1 A 82 82 LEU CA C 82 53.321 53.447 -0.126 1
1 907 . 16 1 1 A 82 82 LEU HA H 82 5.150 5.120 0.030 1
1 908 . 16 1 1 A 82 82 LEU CB C 82 44.594 45.123 -0.529 1
1 920 . 16 1 1 A 82 82 LEU C C 82 174.427 174.627 -0.200 1
1 922 . 16 1 1 A 83 83 ALA N N 83 128.482 130.251 -1.769 1
1 923 . 16 1 1 A 83 83 ALA H H 83 9.294 9.029 0.265 1
1 924 . 16 1 1 A 83 83 ALA CA C 83 50.133 50.511 -0.378 1
1 925 . 16 1 1 A 83 83 ALA HA H 83 5.081 5.078 0.003 1
1 926 . 16 1 1 A 83 83 ALA CB C 83 21.500 20.524 0.976 1
1 930 . 16 1 1 A 83 83 ALA C C 83 174.991 176.003 -1.012 1
1 931 . 16 1 1 A 84 84 VAL N N 84 121.691 123.816 -2.125 1
1 932 . 16 1 1 A 84 84 VAL H H 84 9.222 9.052 0.170 1
1 933 . 16 1 1 A 84 84 VAL CA C 84 61.324 61.376 -0.052 1
1 934 . 16 1 1 A 84 84 VAL HA H 84 4.785 4.788 -0.003 1
1 935 . 16 1 1 A 84 84 VAL CB C 84 34.116 33.542 0.574 1
1 945 . 16 1 1 A 84 84 VAL C C 84 174.156 174.929 -0.773 1
1 946 . 16 1 1 A 85 85 LYS N N 85 124.020 126.469 -2.449 1
1 947 . 16 1 1 A 85 85 LYS H H 85 9.193 8.497 0.696 1
1 948 . 16 1 1 A 85 85 LYS CA C 85 54.222 54.783 -0.561 1
1 949 . 16 1 1 A 85 85 LYS HA H 85 4.958 5.203 -0.245 1
1 950 . 16 1 1 A 85 85 LYS CB C 85 34.814 35.199 -0.385 1
1 958 . 16 1 1 A 85 85 LYS C C 85 173.704 175.359 -1.655 1
1 963 . 16 1 1 A 86 86 TRP N N 86 123.429 124.483 -1.054 1
1 964 . 16 1 1 A 86 86 TRP H H 86 8.623 9.024 -0.401 1
1 965 . 16 1 1 A 86 86 TRP CA C 86 53.803 56.802 -2.999 1
1 966 . 16 1 1 A 86 86 TRP HA H 86 5.583 4.889 0.694 1
1 967 . 16 1 1 A 86 86 TRP CB C 86 32.084 31.286 0.798 1
1 981 . 16 1 1 A 86 86 TRP C C 86 176.916 175.823 1.093 1
1 983 . 16 1 1 A 87 87 GLY N N 87 116.722 114.851 1.871 1
1 984 . 16 1 1 A 87 87 GLY H H 87 8.782 9.107 -0.325 1
1 985 . 16 1 1 A 87 87 GLY CA C 87 46.432 46.729 -0.297 1
1 986 . 16 1 1 A 87 87 GLY HA3 H 87 3.152 3.631 -0.479 1
1 987 . 16 1 1 A 87 87 GLY C C 87 173.838 174.104 -0.266 1
1 988 . 16 1 1 A 87 87 GLY HA2 H 87 3.732 3.452 0.280 1
1 989 . 16 1 1 A 88 88 GLU N N 88 122.405 110.563 11.842 1
1 990 . 16 1 1 A 88 88 GLU H H 88 8.592 8.443 0.149 1
1 991 . 16 1 1 A 88 88 GLU CA C 88 56.004 57.573 -1.569 1
1 992 . 16 1 1 A 88 88 GLU HA H 88 4.057 3.831 0.226 1
1 993 . 16 1 1 A 88 88 GLU CB C 88 29.764 27.429 2.335 1
1 997 . 16 1 1 A 88 88 GLU C C 88 176.465 174.864 1.601 1
1 1000 . 16 1 1 A 89 89 GLU N N 89 117.358 117.254 0.104 1
1 1001 . 16 1 1 A 89 89 GLU H H 89 7.226 7.602 -0.376 1
1 1002 . 16 1 1 A 89 89 GLU CA C 89 54.921 54.833 0.088 1
1 1003 . 16 1 1 A 89 89 GLU HA H 89 4.580 5.109 -0.529 1
1 1004 . 16 1 1 A 89 89 GLU CB C 89 33.160 34.606 -1.446 1
1 1008 . 16 1 1 A 89 89 GLU C C 89 175.674 175.068 0.606 1
1 1011 . 16 1 1 A 90 90 HIS N N 90 122.210 116.580 5.630 1
1 1012 . 16 1 1 A 90 90 HIS H H 90 8.603 8.862 -0.259 1
1 1013 . 16 1 1 A 90 90 HIS CA C 90 58.321 54.381 3.940 1
1 1014 . 16 1 1 A 90 90 HIS HA H 90 4.343 5.155 -0.812 1
1 1015 . 16 1 1 A 90 90 HIS CB C 90 32.786 31.679 1.107 1
1 1021 . 16 1 1 A 90 90 HIS C C 90 177.001 175.144 1.857 1
1 1023 . 16 1 1 A 91 91 ILE N N 91 117.760 122.606 -4.846 1
1 1024 . 16 1 1 A 91 91 ILE H H 91 8.289 8.256 0.033 1
1 1025 . 16 1 1 A 91 91 ILE CA C 91 61.019 60.241 0.778 1
1 1026 . 16 1 1 A 91 91 ILE HA H 91 4.482 4.234 0.248 1
1 1027 . 16 1 1 A 91 91 ILE CB C 91 35.655 37.910 -2.255 1
1 1039 . 16 1 1 A 91 91 ILE C C 91 173.231 175.594 -2.363 1
1 1041 . 16 1 1 A 92 92 PRO CA C 92 65.378 63.729 1.649 1
1 1042 . 16 1 1 A 92 92 PRO HA H 92 4.207 4.302 -0.095 1
1 1043 . 16 1 1 A 92 92 PRO CB C 92 31.301 31.272 0.029 1
1 1049 . 16 1 1 A 92 92 PRO C C 92 177.559 177.384 0.175 1
1 1053 . 16 1 1 A 93 93 GLY N N 93 115.174 113.169 2.005 1
1 1054 . 16 1 1 A 93 93 GLY H H 93 8.291 8.784 -0.493 1
1 1055 . 16 1 1 A 93 93 GLY CA C 93 44.729 44.768 -0.039 1
1 1056 . 16 1 1 A 93 93 GLY HA3 H 93 3.122 3.678 -0.556 1
1 1057 . 16 1 1 A 93 93 GLY C C 93 171.695 173.977 -2.282 1
1 1058 . 16 1 1 A 93 93 GLY HA2 H 93 4.116 3.495 0.621 1
1 1059 . 16 1 1 A 94 94 SER N N 94 112.948 117.439 -4.491 1
1 1060 . 16 1 1 A 94 94 SER H H 94 7.612 7.499 0.113 1
1 1061 . 16 1 1 A 94 94 SER CA C 94 54.585 55.562 -0.977 1
1 1062 . 16 1 1 A 94 94 SER HA H 94 4.002 4.596 -0.594 1
1 1063 . 16 1 1 A 94 94 SER CB C 94 62.348 64.013 -1.665 1
1 1065 . 16 1 1 A 94 94 SER C C 94 174.321 173.148 1.173 1
1 1067 . 16 1 1 A 95 95 PRO CA C 95 62.338 63.022 -0.684 1
1 1068 . 16 1 1 A 95 95 PRO HA H 95 5.296 4.811 0.485 1
1 1069 . 16 1 1 A 95 95 PRO CB C 95 33.730 32.474 1.256 1
1 1075 . 16 1 1 A 95 95 PRO C C 95 175.728 177.104 -1.376 1
1 1079 . 16 1 1 A 96 96 PHE N N 96 124.415 121.329 3.086 1
1 1080 . 16 1 1 A 96 96 PHE H H 96 9.643 8.483 1.160 1
1 1081 . 16 1 1 A 96 96 PHE CA C 96 57.405 57.907 -0.502 1
1 1082 . 16 1 1 A 96 96 PHE HA H 96 4.474 4.885 -0.411 1
1 1083 . 16 1 1 A 96 96 PHE CB C 96 40.160 39.803 0.357 1
1 1095 . 16 1 1 A 96 96 PHE C C 96 175.736 175.648 0.088 1
1 1097 . 16 1 1 A 97 97 HIS N N 97 121.364 120.990 0.374 1
1 1098 . 16 1 1 A 97 97 HIS H H 97 8.898 9.014 -0.116 1
1 1099 . 16 1 1 A 97 97 HIS CA C 97 55.214 54.177 1.037 1
1 1100 . 16 1 1 A 97 97 HIS HA H 97 5.124 5.407 -0.283 1
1 1101 . 16 1 1 A 97 97 HIS CB C 97 29.981 31.969 -1.988 1
1 1107 . 16 1 1 A 97 97 HIS C C 97 173.895 173.523 0.372 1
1 1109 . 16 1 1 A 98 98 VAL N N 98 127.912 128.858 -0.946 1
1 1110 . 16 1 1 A 98 98 VAL H H 98 8.582 9.027 -0.445 1
1 1111 . 16 1 1 A 98 98 VAL CA C 98 61.467 61.014 0.453 1
1 1112 . 16 1 1 A 98 98 VAL HA H 98 4.096 4.642 -0.546 1
1 1113 . 16 1 1 A 98 98 VAL CB C 98 35.455 33.600 1.855 1
1 1123 . 16 1 1 A 98 98 VAL C C 98 174.874 174.967 -0.093 1
1 1124 . 16 1 1 A 99 99 THR N N 99 123.090 122.778 0.312 1
1 1125 . 16 1 1 A 99 99 THR H H 99 8.117 8.770 -0.653 1
1 1126 . 16 1 1 A 99 99 THR CA C 99 62.031 61.737 0.294 1
1 1127 . 16 1 1 A 99 99 THR HA H 99 4.852 4.898 -0.046 1
1 1128 . 16 1 1 A 99 99 THR CB C 99 70.661 70.554 0.107 1
1 1134 . 16 1 1 A 99 99 THR C C 99 173.264 173.444 -0.180 1
1 1135 . 16 1 1 A 100 100 VAL N N 100 129.827 125.311 4.516 1
1 1136 . 16 1 1 A 100 100 VAL H H 100 8.812 8.832 -0.020 1
1 1137 . 16 1 1 A 100 100 VAL CA C 100 58.577 58.800 -0.223 1
1 1138 . 16 1 1 A 100 100 VAL HA H 100 5.053 4.681 0.372 1
1 1139 . 16 1 1 A 100 100 VAL CB C 100 33.365 35.517 -2.152 1
1 1149 . 16 1 1 A 100 100 VAL C C 100 174.927 173.946 0.981 1
1 1 . 17 1 1 A 6 6 SER CA C 6 58.666 62.297 -3.631 1
1 2 . 17 1 1 A 6 6 SER HA H 6 4.514 4.250 0.264 1
1 3 . 17 1 1 A 6 6 SER CB C 6 63.933 63.055 0.878 1
1 5 . 17 1 1 A 6 6 SER C C 6 175.074 175.074 0.000 1
1 7 . 17 1 1 A 7 7 GLY N N 7 110.792 106.093 4.699 1
1 8 . 17 1 1 A 7 7 GLY H H 7 8.450 7.547 0.903 1
1 9 . 17 1 1 A 7 7 GLY CA C 7 45.406 46.065 -0.659 1
1 10 . 17 1 1 A 7 7 GLY HA3 H 7 4.052 4.018 0.034 1
1 11 . 17 1 1 A 7 7 GLY C C 7 174.270 174.907 -0.637 1
1 12 . 17 1 1 A 7 7 GLY HA2 H 7 4.052 4.003 0.049 1
1 13 . 17 1 1 A 8 8 SER N N 8 115.558 112.228 3.330 1
1 14 . 17 1 1 A 8 8 SER H H 8 8.274 8.018 0.256 1
1 15 . 17 1 1 A 8 8 SER CA C 8 58.332 58.915 -0.583 1
1 16 . 17 1 1 A 8 8 SER HA H 8 4.557 4.206 0.351 1
1 17 . 17 1 1 A 8 8 SER CB C 8 63.930 61.433 2.497 1
1 19 . 17 1 1 A 8 8 SER C C 8 174.064 173.706 0.358 1
1 21 . 17 1 1 A 9 9 SER N N 9 116.801 114.964 1.837 1
1 22 . 17 1 1 A 9 9 SER H H 9 8.227 7.744 0.483 1
1 23 . 17 1 1 A 9 9 SER CA C 9 58.075 60.342 -2.267 1
1 24 . 17 1 1 A 9 9 SER HA H 9 5.001 4.573 0.428 1
1 25 . 17 1 1 A 9 9 SER CB C 9 64.491 64.096 0.395 1
1 27 . 17 1 1 A 9 9 SER C C 9 174.318 173.303 1.015 1
1 29 . 17 1 1 A 10 10 ASP N N 10 122.324 125.723 -3.399 1
1 30 . 17 1 1 A 10 10 ASP H H 10 8.262 8.669 -0.407 1
1 31 . 17 1 1 A 10 10 ASP CA C 10 53.833 53.153 0.680 1
1 32 . 17 1 1 A 10 10 ASP HA H 10 4.892 5.210 -0.318 1
1 33 . 17 1 1 A 10 10 ASP CB C 10 41.497 43.595 -2.098 1
1 35 . 17 1 1 A 10 10 ASP C C 10 176.306 176.406 -0.100 1
1 37 . 17 1 1 A 11 11 ALA N N 11 126.255 129.048 -2.793 1
1 38 . 17 1 1 A 11 11 ALA H H 11 9.091 8.939 0.152 1
1 39 . 17 1 1 A 11 11 ALA CA C 11 54.713 54.694 0.019 1
1 40 . 17 1 1 A 11 11 ALA HA H 11 4.056 4.257 -0.201 1
1 41 . 17 1 1 A 11 11 ALA CB C 11 20.177 19.141 1.036 1
1 45 . 17 1 1 A 11 11 ALA C C 11 177.950 179.276 -1.326 1
1 46 . 17 1 1 A 12 12 SER N N 12 110.658 113.566 -2.908 1
1 47 . 17 1 1 A 12 12 SER H H 12 8.224 8.122 0.102 1
1 48 . 17 1 1 A 12 12 SER CA C 12 60.857 61.101 -0.244 1
1 49 . 17 1 1 A 12 12 SER HA H 12 4.240 4.132 0.108 1
1 50 . 17 1 1 A 12 12 SER CB C 12 62.964 63.157 -0.193 1
1 52 . 17 1 1 A 12 12 SER C C 12 175.312 176.523 -1.211 1
1 54 . 17 1 1 A 13 13 LYS N N 13 119.063 118.178 0.885 1
1 55 . 17 1 1 A 13 13 LYS H H 13 7.349 7.818 -0.469 1
1 56 . 17 1 1 A 13 13 LYS CA C 13 54.948 58.085 -3.137 1
1 57 . 17 1 1 A 13 13 LYS HA H 13 4.293 4.334 -0.041 1
1 58 . 17 1 1 A 13 13 LYS CB C 13 33.037 32.815 0.222 1
1 66 . 17 1 1 A 13 13 LYS C C 13 177.263 177.606 -0.343 1
1 71 . 17 1 1 A 14 14 VAL N N 14 124.317 119.831 4.486 1
1 72 . 17 1 1 A 14 14 VAL H H 14 7.500 7.381 0.119 1
1 73 . 17 1 1 A 14 14 VAL CA C 14 63.797 63.133 0.664 1
1 74 . 17 1 1 A 14 14 VAL HA H 14 3.870 3.726 0.144 1
1 75 . 17 1 1 A 14 14 VAL CB C 14 31.996 31.293 0.703 1
1 85 . 17 1 1 A 14 14 VAL C C 14 175.873 175.269 0.604 1
1 86 . 17 1 1 A 15 15 THR N N 15 117.704 118.787 -1.083 1
1 87 . 17 1 1 A 15 15 THR H H 15 8.197 8.355 -0.158 1
1 88 . 17 1 1 A 15 15 THR CA C 15 59.805 59.433 0.372 1
1 89 . 17 1 1 A 15 15 THR HA H 15 4.911 5.274 -0.363 1
1 90 . 17 1 1 A 15 15 THR CB C 15 71.373 71.897 -0.524 1
1 96 . 17 1 1 A 15 15 THR C C 15 172.695 173.862 -1.167 1
1 97 . 17 1 1 A 16 16 SER N N 16 113.256 116.479 -3.223 1
1 98 . 17 1 1 A 16 16 SER H H 16 8.442 9.155 -0.713 1
1 99 . 17 1 1 A 16 16 SER CA C 16 57.155 56.621 0.534 1
1 100 . 17 1 1 A 16 16 SER HA H 16 5.564 5.391 0.173 1
1 101 . 17 1 1 A 16 16 SER CB C 16 66.124 65.692 0.432 1
1 103 . 17 1 1 A 16 16 SER C C 16 173.455 173.553 -0.098 1
1 105 . 17 1 1 A 17 17 LYS N N 17 117.543 120.630 -3.087 1
1 106 . 17 1 1 A 17 17 LYS H H 17 8.870 8.774 0.096 1
1 107 . 17 1 1 A 17 17 LYS CA C 17 56.063 54.352 1.711 1
1 108 . 17 1 1 A 17 17 LYS HA H 17 4.673 5.172 -0.499 1
1 109 . 17 1 1 A 17 17 LYS CB C 17 35.602 36.231 -0.629 1
1 117 . 17 1 1 A 17 17 LYS C C 17 174.625 175.088 -0.463 1
1 122 . 17 1 1 A 18 18 GLY N N 18 110.702 107.878 2.824 1
1 123 . 17 1 1 A 18 18 GLY H H 18 8.746 8.524 0.222 1
1 124 . 17 1 1 A 18 18 GLY CA C 18 44.501 44.367 0.134 1
1 125 . 17 1 1 A 18 18 GLY HA3 H 18 3.998 4.273 -0.275 1
1 126 . 17 1 1 A 18 18 GLY C C 18 175.460 174.328 1.132 1
1 127 . 17 1 1 A 18 18 GLY HA2 H 18 4.947 4.243 0.704 1
1 128 . 17 1 1 A 19 19 ALA CA C 19 55.387 54.694 0.693 1
1 129 . 17 1 1 A 19 19 ALA HA H 19 4.229 4.183 0.046 1
1 130 . 17 1 1 A 19 19 ALA CB C 19 18.689 18.927 -0.238 1
1 134 . 17 1 1 A 19 19 ALA C C 19 179.606 179.729 -0.123 1
1 135 . 17 1 1 A 20 20 GLY N N 20 101.587 106.816 -5.229 1
1 136 . 17 1 1 A 20 20 GLY H H 20 8.466 8.314 0.152 1
1 137 . 17 1 1 A 20 20 GLY CA C 20 46.078 47.210 -1.132 1
1 138 . 17 1 1 A 20 20 GLY HA3 H 20 3.596 3.849 -0.253 1
1 139 . 17 1 1 A 20 20 GLY C C 20 173.214 176.529 -3.315 1
1 140 . 17 1 1 A 20 20 GLY HA2 H 20 4.689 3.820 0.869 1
1 141 . 17 1 1 A 21 21 LEU N N 21 115.987 123.005 -7.018 1
1 142 . 17 1 1 A 21 21 LEU H H 21 6.928 7.856 -0.928 1
1 143 . 17 1 1 A 21 21 LEU CA C 21 55.567 57.103 -1.536 1
1 144 . 17 1 1 A 21 21 LEU HA H 21 3.404 3.773 -0.369 1
1 145 . 17 1 1 A 21 21 LEU CB C 21 41.702 41.195 0.507 1
1 157 . 17 1 1 A 21 21 LEU C C 21 175.989 179.268 -3.279 1
1 159 . 17 1 1 A 22 22 SER N N 22 106.483 113.044 -6.561 1
1 160 . 17 1 1 A 22 22 SER H H 22 7.808 8.062 -0.254 1
1 161 . 17 1 1 A 22 22 SER CA C 22 58.956 60.797 -1.841 1
1 162 . 17 1 1 A 22 22 SER HA H 22 4.901 4.455 0.446 1
1 163 . 17 1 1 A 22 22 SER CB C 22 66.238 63.725 2.513 1
1 165 . 17 1 1 A 22 22 SER C C 22 174.051 174.052 -0.001 1
1 167 . 17 1 1 A 23 23 LYS N N 23 124.757 115.024 9.733 1
1 168 . 17 1 1 A 23 23 LYS H H 23 8.399 7.870 0.529 1
1 169 . 17 1 1 A 23 23 LYS CA C 23 55.676 54.835 0.841 1
1 170 . 17 1 1 A 23 23 LYS HA H 23 4.973 4.602 0.371 1
1 171 . 17 1 1 A 23 23 LYS CB C 23 36.338 35.714 0.624 1
1 179 . 17 1 1 A 23 23 LYS C C 23 173.136 173.596 -0.460 1
1 184 . 17 1 1 A 24 24 ALA N N 24 123.565 121.348 2.217 1
1 185 . 17 1 1 A 24 24 ALA H H 24 7.541 8.606 -1.065 1
1 186 . 17 1 1 A 24 24 ALA CA C 24 51.148 49.650 1.498 1
1 187 . 17 1 1 A 24 24 ALA HA H 24 4.256 4.882 -0.626 1
1 188 . 17 1 1 A 24 24 ALA CB C 24 22.019 22.682 -0.663 1
1 192 . 17 1 1 A 24 24 ALA C C 24 173.515 175.228 -1.713 1
1 193 . 17 1 1 A 25 25 PHE N N 25 114.269 116.088 -1.819 1
1 194 . 17 1 1 A 25 25 PHE H H 25 7.858 8.646 -0.788 1
1 195 . 17 1 1 A 25 25 PHE CA C 25 55.809 56.612 -0.803 1
1 196 . 17 1 1 A 25 25 PHE HA H 25 5.191 4.950 0.241 1
1 197 . 17 1 1 A 25 25 PHE CB C 25 41.943 41.289 0.654 1
1 209 . 17 1 1 A 25 25 PHE C C 25 177.046 175.521 1.525 1
1 211 . 17 1 1 A 26 26 VAL N N 26 123.270 124.012 -0.742 1
1 212 . 17 1 1 A 26 26 VAL H H 26 9.338 8.679 0.659 1
1 213 . 17 1 1 A 26 26 VAL CA C 26 65.054 65.097 -0.043 1
1 214 . 17 1 1 A 26 26 VAL HA H 26 3.441 3.705 -0.264 1
1 215 . 17 1 1 A 26 26 VAL CB C 26 31.757 31.537 0.220 1
1 225 . 17 1 1 A 26 26 VAL C C 26 178.201 177.340 0.861 1
1 226 . 17 1 1 A 27 27 GLY N N 27 112.668 114.952 -2.284 1
1 227 . 17 1 1 A 27 27 GLY H H 27 8.862 9.108 -0.246 1
1 228 . 17 1 1 A 27 27 GLY CA C 27 45.857 45.334 0.523 1
1 229 . 17 1 1 A 27 27 GLY HA3 H 27 4.229 4.033 0.196 1
1 230 . 17 1 1 A 27 27 GLY C C 27 173.411 174.257 -0.846 1
1 231 . 17 1 1 A 27 27 GLY HA2 H 27 3.631 4.031 -0.400 1
1 232 . 17 1 1 A 28 28 GLN N N 28 118.568 120.935 -2.367 1
1 233 . 17 1 1 A 28 28 GLN H H 28 7.755 7.970 -0.215 1
1 234 . 17 1 1 A 28 28 GLN CA C 28 53.825 56.783 -2.958 1
1 235 . 17 1 1 A 28 28 GLN HA H 28 4.690 4.365 0.325 1
1 236 . 17 1 1 A 28 28 GLN CB C 28 30.975 29.968 1.007 1
1 243 . 17 1 1 A 28 28 GLN C C 28 175.517 175.468 0.049 1
1 246 . 17 1 1 A 29 29 LYS N N 29 123.598 124.489 -0.891 1
1 247 . 17 1 1 A 29 29 LYS H H 29 8.839 8.694 0.145 1
1 248 . 17 1 1 A 29 29 LYS CA C 29 57.587 56.247 1.340 1
1 249 . 17 1 1 A 29 29 LYS HA H 29 4.158 4.525 -0.367 1
1 250 . 17 1 1 A 29 29 LYS CB C 29 32.381 32.844 -0.463 1
1 258 . 17 1 1 A 29 29 LYS C C 29 176.190 175.014 1.176 1
1 263 . 17 1 1 A 30 30 SER N N 30 124.030 125.307 -1.277 1
1 264 . 17 1 1 A 30 30 SER H H 30 8.694 8.344 0.350 1
1 265 . 17 1 1 A 30 30 SER CA C 30 57.560 58.105 -0.545 1
1 266 . 17 1 1 A 30 30 SER HA H 30 4.758 5.027 -0.269 1
1 267 . 17 1 1 A 30 30 SER CB C 30 64.143 63.968 0.175 1
1 269 . 17 1 1 A 30 30 SER C C 30 173.413 173.596 -0.183 1
1 271 . 17 1 1 A 31 31 SER N N 31 116.828 118.977 -2.149 1
1 272 . 17 1 1 A 31 31 SER H H 31 8.894 8.648 0.246 1
1 273 . 17 1 1 A 31 31 SER CA C 31 57.132 55.523 1.609 1
1 274 . 17 1 1 A 31 31 SER HA H 31 6.181 5.315 0.866 1
1 275 . 17 1 1 A 31 31 SER CB C 31 67.745 66.470 1.275 1
1 277 . 17 1 1 A 31 31 SER C C 31 174.171 173.598 0.573 1
1 279 . 17 1 1 A 32 32 PHE N N 32 117.724 116.809 0.915 1
1 280 . 17 1 1 A 32 32 PHE H H 32 8.853 8.584 0.269 1
1 281 . 17 1 1 A 32 32 PHE CA C 32 57.190 56.273 0.917 1
1 282 . 17 1 1 A 32 32 PHE HA H 32 5.016 5.168 -0.152 1
1 283 . 17 1 1 A 32 32 PHE CB C 32 40.712 41.506 -0.794 1
1 295 . 17 1 1 A 32 32 PHE C C 32 170.765 172.185 -1.420 1
1 297 . 17 1 1 A 33 33 LEU N N 33 121.533 123.656 -2.123 1
1 298 . 17 1 1 A 33 33 LEU H H 33 9.223 8.759 0.464 1
1 299 . 17 1 1 A 33 33 LEU CA C 33 53.636 53.399 0.237 1
1 300 . 17 1 1 A 33 33 LEU HA H 33 5.531 5.395 0.136 1
1 301 . 17 1 1 A 33 33 LEU CB C 33 46.278 45.441 0.837 1
1 313 . 17 1 1 A 33 33 LEU C C 33 176.559 174.388 2.171 1
1 315 . 17 1 1 A 34 34 VAL N N 34 123.140 126.160 -3.020 1
1 316 . 17 1 1 A 34 34 VAL H H 34 9.257 8.765 0.492 1
1 317 . 17 1 1 A 34 34 VAL CA C 34 61.182 61.108 0.074 1
1 318 . 17 1 1 A 34 34 VAL HA H 34 4.785 4.843 -0.058 1
1 319 . 17 1 1 A 34 34 VAL CB C 34 34.589 34.764 -0.175 1
1 329 . 17 1 1 A 34 34 VAL C C 34 174.370 173.853 0.517 1
1 330 . 17 1 1 A 35 35 ASP N N 35 126.353 127.644 -1.291 1
1 331 . 17 1 1 A 35 35 ASP H H 35 9.312 8.820 0.492 1
1 332 . 17 1 1 A 35 35 ASP CA C 35 53.298 53.236 0.062 1
1 333 . 17 1 1 A 35 35 ASP HA H 35 5.229 4.824 0.405 1
1 334 . 17 1 1 A 35 35 ASP CB C 35 41.538 41.311 0.227 1
1 336 . 17 1 1 A 35 35 ASP C C 35 176.980 175.759 1.221 1
1 338 . 17 1 1 A 36 36 CYS N N 36 125.342 126.319 -0.977 1
1 339 . 17 1 1 A 36 36 CYS H H 36 9.275 8.726 0.549 1
1 340 . 17 1 1 A 36 36 CYS CA C 36 57.367 58.213 -0.846 1
1 341 . 17 1 1 A 36 36 CYS HA H 36 4.374 4.804 -0.430 1
1 342 . 17 1 1 A 36 36 CYS CB C 36 28.369 28.461 -0.092 1
1 344 . 17 1 1 A 36 36 CYS C C 36 177.015 175.398 1.617 1
1 346 . 17 1 1 A 37 37 SER N N 37 119.973 115.739 4.234 1
1 347 . 17 1 1 A 37 37 SER H H 37 9.039 8.265 0.774 1
1 348 . 17 1 1 A 37 37 SER CA C 37 62.787 61.382 1.405 1
1 349 . 17 1 1 A 37 37 SER HA H 37 3.932 4.228 -0.296 1
1 350 . 17 1 1 A 37 37 SER CB C 37 62.982 62.547 0.435 1
1 352 . 17 1 1 A 37 37 SER C C 37 176.290 175.438 0.852 1
1 354 . 17 1 1 A 38 38 LYS N N 38 120.815 118.452 2.363 1
1 355 . 17 1 1 A 38 38 LYS H H 38 8.676 8.155 0.521 1
1 356 . 17 1 1 A 38 38 LYS CA C 38 55.123 55.268 -0.145 1
1 357 . 17 1 1 A 38 38 LYS HA H 38 4.730 4.620 0.110 1
1 358 . 17 1 1 A 38 38 LYS CB C 38 32.250 32.680 -0.430 1
1 366 . 17 1 1 A 38 38 LYS C C 38 176.385 176.579 -0.194 1
1 371 . 17 1 1 A 39 39 ALA N N 39 121.594 121.513 0.081 1
1 372 . 17 1 1 A 39 39 ALA H H 39 7.322 7.765 -0.443 1
1 373 . 17 1 1 A 39 39 ALA CA C 39 52.127 53.416 -1.289 1
1 374 . 17 1 1 A 39 39 ALA HA H 39 4.436 4.417 0.019 1
1 375 . 17 1 1 A 39 39 ALA CB C 39 21.347 20.543 0.804 1
1 379 . 17 1 1 A 39 39 ALA C C 39 177.453 177.401 0.052 1
1 380 . 17 1 1 A 40 40 GLY N N 40 111.873 102.451 9.422 1
1 381 . 17 1 1 A 40 40 GLY H H 40 8.755 7.514 1.241 1
1 382 . 17 1 1 A 40 40 GLY CA C 40 45.619 45.711 -0.092 1
1 383 . 17 1 1 A 40 40 GLY HA3 H 40 4.329 4.340 -0.011 1
1 384 . 17 1 1 A 40 40 GLY C C 40 173.801 173.081 0.720 1
1 385 . 17 1 1 A 40 40 GLY HA2 H 40 3.754 4.206 -0.452 1
1 386 . 17 1 1 A 41 41 SER N N 41 117.149 116.644 0.505 1
1 387 . 17 1 1 A 41 41 SER H H 41 8.524 8.562 -0.038 1
1 388 . 17 1 1 A 41 41 SER CA C 41 56.849 58.093 -1.244 1
1 389 . 17 1 1 A 41 41 SER HA H 41 5.010 4.817 0.193 1
1 390 . 17 1 1 A 41 41 SER CB C 41 63.917 63.497 0.420 1
1 392 . 17 1 1 A 41 41 SER C C 41 172.603 173.599 -0.996 1
1 394 . 17 1 1 A 42 42 ASN N N 42 125.590 118.780 6.810 1
1 395 . 17 1 1 A 42 42 ASN H H 42 7.155 7.715 -0.560 1
1 396 . 17 1 1 A 42 42 ASN CA C 42 50.805 51.958 -1.153 1
1 397 . 17 1 1 A 42 42 ASN HA H 42 3.256 4.726 -1.470 1
1 398 . 17 1 1 A 42 42 ASN CB C 42 39.354 39.289 0.065 1
1 403 . 17 1 1 A 42 42 ASN C C 42 170.908 174.545 -3.637 1
1 405 . 17 1 1 A 43 43 MET N N 43 115.129 118.562 -3.433 1
1 406 . 17 1 1 A 43 43 MET H H 43 8.366 7.971 0.395 1
1 407 . 17 1 1 A 43 43 MET CA C 43 53.424 53.164 0.260 1
1 408 . 17 1 1 A 43 43 MET HA H 43 4.102 5.079 -0.977 1
1 409 . 17 1 1 A 43 43 MET CB C 43 35.572 34.976 0.596 1
1 417 . 17 1 1 A 43 43 MET C C 43 173.140 173.811 -0.671 1
1 420 . 17 1 1 A 44 44 LEU N N 44 128.038 122.920 5.118 1
1 421 . 17 1 1 A 44 44 LEU H H 44 8.300 8.544 -0.244 1
1 422 . 17 1 1 A 44 44 LEU CA C 44 53.806 53.246 0.560 1
1 423 . 17 1 1 A 44 44 LEU HA H 44 5.331 5.306 0.025 1
1 424 . 17 1 1 A 44 44 LEU CB C 44 43.598 44.715 -1.117 1
1 436 . 17 1 1 A 44 44 LEU C C 44 175.236 175.315 -0.079 1
1 438 . 17 1 1 A 45 45 LEU N N 45 126.999 122.460 4.539 1
1 439 . 17 1 1 A 45 45 LEU H H 45 9.109 8.441 0.668 1
1 440 . 17 1 1 A 45 45 LEU CA C 45 54.800 52.620 2.180 1
1 441 . 17 1 1 A 45 45 LEU HA H 45 5.135 5.366 -0.231 1
1 442 . 17 1 1 A 45 45 LEU CB C 45 45.499 46.274 -0.775 1
1 454 . 17 1 1 A 45 45 LEU C C 45 175.167 175.410 -0.243 1
1 456 . 17 1 1 A 46 46 ILE N N 46 118.172 119.894 -1.722 1
1 457 . 17 1 1 A 46 46 ILE H H 46 7.966 8.638 -0.672 1
1 458 . 17 1 1 A 46 46 ILE CA C 46 58.091 59.528 -1.437 1
1 459 . 17 1 1 A 46 46 ILE HA H 46 5.412 4.975 0.437 1
1 460 . 17 1 1 A 46 46 ILE CB C 46 41.988 42.477 -0.489 1
1 472 . 17 1 1 A 46 46 ILE C C 46 174.748 175.501 -0.753 1
1 474 . 17 1 1 A 47 47 GLY N N 47 110.148 115.283 -5.135 1
1 475 . 17 1 1 A 47 47 GLY H H 47 8.554 8.619 -0.065 1
1 476 . 17 1 1 A 47 47 GLY CA C 47 46.136 46.130 0.006 1
1 477 . 17 1 1 A 47 47 GLY HA3 H 47 4.604 4.251 0.353 1
1 478 . 17 1 1 A 47 47 GLY C C 47 171.583 173.380 -1.797 1
1 479 . 17 1 1 A 47 47 GLY HA2 H 47 3.933 4.245 -0.312 1
1 480 . 17 1 1 A 48 48 VAL N N 48 120.434 117.904 2.530 1
1 481 . 17 1 1 A 48 48 VAL H H 48 9.048 7.636 1.412 1
1 482 . 17 1 1 A 48 48 VAL CA C 48 61.060 62.271 -1.211 1
1 483 . 17 1 1 A 48 48 VAL HA H 48 5.143 4.139 1.004 1
1 484 . 17 1 1 A 48 48 VAL CB C 48 34.976 32.031 2.945 1
1 494 . 17 1 1 A 48 48 VAL C C 48 175.260 175.873 -0.613 1
1 495 . 17 1 1 A 49 49 HIS N N 49 127.718 121.543 6.175 1
1 496 . 17 1 1 A 49 49 HIS H H 49 9.556 9.050 0.506 1
1 497 . 17 1 1 A 49 49 HIS CA C 49 55.342 55.324 0.018 1
1 498 . 17 1 1 A 49 49 HIS HA H 49 4.987 4.802 0.185 1
1 499 . 17 1 1 A 49 49 HIS CB C 49 34.476 30.766 3.710 1
1 505 . 17 1 1 A 49 49 HIS C C 49 173.822 175.328 -1.506 1
1 507 . 17 1 1 A 50 50 GLY N N 50 115.577 106.524 9.053 1
1 508 . 17 1 1 A 50 50 GLY H H 50 8.192 8.499 -0.307 1
1 509 . 17 1 1 A 50 50 GLY CA C 50 44.693 45.651 -0.958 1
1 510 . 17 1 1 A 50 50 GLY HA3 H 50 3.247 4.197 -0.950 1
1 511 . 17 1 1 A 50 50 GLY C C 50 171.437 173.443 -2.006 1
1 512 . 17 1 1 A 50 50 GLY HA2 H 50 3.722 4.110 -0.388 1
1 513 . 17 1 1 A 51 51 PRO CA C 51 64.376 65.153 -0.777 1
1 514 . 17 1 1 A 51 51 PRO HA H 51 4.104 4.335 -0.231 1
1 515 . 17 1 1 A 51 51 PRO CB C 51 32.141 31.947 0.194 1
1 521 . 17 1 1 A 51 51 PRO C C 51 177.607 178.052 -0.445 1
1 525 . 17 1 1 A 52 52 THR N N 52 109.088 108.583 0.505 1
1 526 . 17 1 1 A 52 52 THR H H 52 8.447 7.858 0.589 1
1 527 . 17 1 1 A 52 52 THR CA C 52 62.861 62.182 0.679 1
1 528 . 17 1 1 A 52 52 THR HA H 52 4.424 4.547 -0.123 1
1 529 . 17 1 1 A 52 52 THR CB C 52 70.329 69.949 0.380 1
1 535 . 17 1 1 A 52 52 THR C C 52 174.926 174.186 0.740 1
1 536 . 17 1 1 A 53 53 THR N N 53 118.915 113.109 5.806 1
1 537 . 17 1 1 A 53 53 THR H H 53 7.983 7.642 0.341 1
1 538 . 17 1 1 A 53 53 THR CA C 53 59.878 59.032 0.846 1
1 539 . 17 1 1 A 53 53 THR HA H 53 4.751 4.712 0.039 1
1 540 . 17 1 1 A 53 53 THR CB C 53 71.034 69.994 1.040 1
1 546 . 17 1 1 A 53 53 THR C C 53 172.019 173.225 -1.206 1
1 547 . 17 1 1 A 54 54 PRO CA C 54 62.614 62.173 0.441 1
1 548 . 17 1 1 A 54 54 PRO HA H 54 4.629 4.416 0.213 1
1 549 . 17 1 1 A 54 54 PRO CB C 54 32.845 32.837 0.008 1
1 555 . 17 1 1 A 54 54 PRO C C 54 177.751 176.419 1.332 1
1 559 . 17 1 1 A 55 55 CYS N N 55 121.538 119.104 2.434 1
1 560 . 17 1 1 A 55 55 CYS H H 55 8.938 8.186 0.752 1
1 561 . 17 1 1 A 55 55 CYS CA C 55 60.342 57.539 2.803 1
1 562 . 17 1 1 A 55 55 CYS HA H 55 4.563 4.636 -0.073 1
1 563 . 17 1 1 A 55 55 CYS CB C 55 27.534 29.828 -2.294 1
1 565 . 17 1 1 A 55 55 CYS C C 55 174.437 175.581 -1.144 1
1 567 . 17 1 1 A 56 56 GLU N N 56 124.530 122.644 1.886 1
1 568 . 17 1 1 A 56 56 GLU H H 56 8.450 9.069 -0.619 1
1 569 . 17 1 1 A 56 56 GLU CA C 56 59.363 58.994 0.369 1
1 570 . 17 1 1 A 56 56 GLU HA H 56 4.471 4.156 0.315 1
1 571 . 17 1 1 A 56 56 GLU CB C 56 31.217 30.561 0.656 1
1 575 . 17 1 1 A 56 56 GLU C C 56 176.847 176.257 0.590 1
1 578 . 17 1 1 A 57 57 GLU N N 57 114.661 114.109 0.552 1
1 579 . 17 1 1 A 57 57 GLU H H 57 7.478 7.748 -0.270 1
1 580 . 17 1 1 A 57 57 GLU CA C 57 55.551 55.470 0.081 1
1 581 . 17 1 1 A 57 57 GLU HA H 57 5.414 4.692 0.722 1
1 582 . 17 1 1 A 57 57 GLU CB C 57 34.084 31.823 2.261 1
1 586 . 17 1 1 A 57 57 GLU C C 57 174.400 173.769 0.631 1
1 589 . 17 1 1 A 58 58 VAL N N 58 123.611 120.703 2.908 1
1 590 . 17 1 1 A 58 58 VAL H H 58 8.605 8.466 0.139 1
1 591 . 17 1 1 A 58 58 VAL CA C 58 62.048 61.568 0.480 1
1 592 . 17 1 1 A 58 58 VAL HA H 58 4.941 4.852 0.089 1
1 593 . 17 1 1 A 58 58 VAL CB C 58 35.700 34.523 1.177 1
1 603 . 17 1 1 A 58 58 VAL C C 58 174.426 174.205 0.221 1
1 604 . 17 1 1 A 59 59 SER N N 59 121.592 123.452 -1.860 1
1 605 . 17 1 1 A 59 59 SER H H 59 9.635 9.152 0.483 1
1 606 . 17 1 1 A 59 59 SER CA C 59 57.012 56.744 0.268 1
1 607 . 17 1 1 A 59 59 SER HA H 59 5.526 4.873 0.653 1
1 608 . 17 1 1 A 59 59 SER CB C 59 65.896 64.074 1.822 1
1 610 . 17 1 1 A 59 59 SER C C 59 172.465 173.213 -0.748 1
1 612 . 17 1 1 A 60 60 MET N N 60 122.508 127.883 -5.375 1
1 613 . 17 1 1 A 60 60 MET H H 60 9.435 9.089 0.346 1
1 614 . 17 1 1 A 60 60 MET CA C 60 54.541 53.887 0.654 1
1 615 . 17 1 1 A 60 60 MET HA H 60 5.352 5.640 -0.288 1
1 616 . 17 1 1 A 60 60 MET CB C 60 37.420 34.405 3.015 1
1 624 . 17 1 1 A 60 60 MET C C 60 174.616 175.513 -0.897 1
1 627 . 17 1 1 A 61 61 LYS N N 61 125.580 123.494 2.086 1
1 628 . 17 1 1 A 61 61 LYS H H 61 8.963 9.103 -0.140 1
1 629 . 17 1 1 A 61 61 LYS CA C 61 54.688 54.872 -0.184 1
1 630 . 17 1 1 A 61 61 LYS HA H 61 5.396 4.887 0.509 1
1 631 . 17 1 1 A 61 61 LYS CB C 61 36.412 37.060 -0.648 1
1 639 . 17 1 1 A 61 61 LYS C C 61 175.548 174.812 0.736 1
1 644 . 17 1 1 A 62 62 HIS N N 62 125.822 122.420 3.402 1
1 645 . 17 1 1 A 62 62 HIS H H 62 8.967 8.898 0.069 1
1 646 . 17 1 1 A 62 62 HIS CA C 62 55.674 54.132 1.542 1
1 647 . 17 1 1 A 62 62 HIS HA H 62 4.621 4.857 -0.236 1
1 648 . 17 1 1 A 62 62 HIS CB C 62 29.732 29.873 -0.141 1
1 654 . 17 1 1 A 62 62 HIS C C 62 175.912 175.038 0.874 1
1 656 . 17 1 1 A 63 63 VAL N N 63 124.131 123.714 0.417 1
1 657 . 17 1 1 A 63 63 VAL H H 63 8.633 8.228 0.405 1
1 658 . 17 1 1 A 63 63 VAL CA C 63 61.288 64.440 -3.152 1
1 659 . 17 1 1 A 63 63 VAL HA H 63 4.299 3.668 0.631 1
1 660 . 17 1 1 A 63 63 VAL CB C 63 30.964 32.355 -1.391 1
1 670 . 17 1 1 A 63 63 VAL C C 63 175.339 175.405 -0.066 1
1 671 . 17 1 1 A 64 64 GLY N N 64 108.087 109.802 -1.715 1
1 672 . 17 1 1 A 64 64 GLY H H 64 5.406 6.853 -1.447 1
1 673 . 17 1 1 A 64 64 GLY CA C 64 44.979 43.390 1.589 1
1 674 . 17 1 1 A 64 64 GLY HA3 H 64 3.118 3.761 -0.643 1
1 675 . 17 1 1 A 64 64 GLY C C 64 174.125 173.900 0.225 1
1 676 . 17 1 1 A 64 64 GLY HA2 H 64 4.287 3.154 1.133 1
1 677 . 17 1 1 A 65 65 ASN N N 65 118.292 119.574 -1.282 1
1 678 . 17 1 1 A 65 65 ASN H H 65 9.260 9.218 0.042 1
1 679 . 17 1 1 A 65 65 ASN CA C 65 54.643 53.994 0.649 1
1 680 . 17 1 1 A 65 65 ASN HA H 65 4.401 4.385 0.016 1
1 681 . 17 1 1 A 65 65 ASN CB C 65 37.695 37.175 0.520 1
1 686 . 17 1 1 A 65 65 ASN C C 65 174.079 174.245 -0.166 1
1 688 . 17 1 1 A 66 66 GLN N N 66 111.325 110.221 1.104 1
1 689 . 17 1 1 A 66 66 GLN H H 66 10.512 8.618 1.894 1
1 690 . 17 1 1 A 66 66 GLN CA C 66 57.009 57.340 -0.331 1
1 691 . 17 1 1 A 66 66 GLN HA H 66 3.713 3.868 -0.155 1
1 692 . 17 1 1 A 66 66 GLN CB C 66 24.986 26.684 -1.698 1
1 699 . 17 1 1 A 66 66 GLN C C 66 173.896 174.280 -0.384 1
1 702 . 17 1 1 A 67 67 GLN N N 67 115.692 117.701 -2.009 1
1 703 . 17 1 1 A 67 67 GLN H H 67 7.492 7.721 -0.229 1
1 704 . 17 1 1 A 67 67 GLN CA C 67 54.496 54.535 -0.039 1
1 705 . 17 1 1 A 67 67 GLN HA H 67 5.400 4.925 0.475 1
1 706 . 17 1 1 A 67 67 GLN CB C 67 29.896 31.026 -1.130 1
1 713 . 17 1 1 A 67 67 GLN C C 67 175.043 174.311 0.732 1
1 716 . 17 1 1 A 68 68 TYR N N 68 121.249 122.080 -0.831 1
1 717 . 17 1 1 A 68 68 TYR H H 68 9.573 9.036 0.537 1
1 718 . 17 1 1 A 68 68 TYR CA C 68 56.443 56.835 -0.392 1
1 719 . 17 1 1 A 68 68 TYR HA H 68 5.417 5.269 0.148 1
1 720 . 17 1 1 A 68 68 TYR CB C 68 41.249 40.289 0.960 1
1 730 . 17 1 1 A 68 68 TYR C C 68 174.846 174.696 0.150 1
1 732 . 17 1 1 A 69 69 ASN N N 69 122.429 123.882 -1.453 1
1 733 . 17 1 1 A 69 69 ASN H H 69 9.354 9.452 -0.098 1
1 734 . 17 1 1 A 69 69 ASN CA C 69 52.454 53.057 -0.603 1
1 735 . 17 1 1 A 69 69 ASN HA H 69 5.260 4.844 0.416 1
1 736 . 17 1 1 A 69 69 ASN CB C 69 40.922 40.114 0.808 1
1 741 . 17 1 1 A 69 69 ASN C C 69 174.835 174.172 0.663 1
1 743 . 17 1 1 A 70 70 VAL N N 70 131.599 125.998 5.601 1
1 744 . 17 1 1 A 70 70 VAL H H 70 9.157 8.238 0.919 1
1 745 . 17 1 1 A 70 70 VAL CA C 70 60.900 60.543 0.357 1
1 746 . 17 1 1 A 70 70 VAL HA H 70 4.910 5.082 -0.172 1
1 747 . 17 1 1 A 70 70 VAL CB C 70 31.882 33.935 -2.053 1
1 757 . 17 1 1 A 70 70 VAL C C 70 174.368 174.282 0.086 1
1 758 . 17 1 1 A 71 71 THR N N 71 119.213 121.305 -2.092 1
1 759 . 17 1 1 A 71 71 THR H H 71 8.996 8.674 0.322 1
1 760 . 17 1 1 A 71 71 THR CA C 71 59.796 60.699 -0.903 1
1 761 . 17 1 1 A 71 71 THR HA H 71 5.614 5.062 0.552 1
1 762 . 17 1 1 A 71 71 THR CB C 71 72.339 71.810 0.529 1
1 768 . 17 1 1 A 71 71 THR C C 71 173.260 173.107 0.153 1
1 769 . 17 1 1 A 72 72 TYR N N 72 121.105 120.661 0.444 1
1 770 . 17 1 1 A 72 72 TYR H H 72 9.200 8.493 0.707 1
1 771 . 17 1 1 A 72 72 TYR CA C 72 56.112 55.721 0.391 1
1 772 . 17 1 1 A 72 72 TYR HA H 72 5.600 5.748 -0.148 1
1 773 . 17 1 1 A 72 72 TYR CB C 72 41.878 41.700 0.178 1
1 783 . 17 1 1 A 72 72 TYR C C 72 173.176 173.068 0.108 1
1 785 . 17 1 1 A 73 73 VAL N N 73 118.799 119.633 -0.834 1
1 786 . 17 1 1 A 73 73 VAL H H 73 8.214 8.697 -0.483 1
1 787 . 17 1 1 A 73 73 VAL CA C 73 61.111 60.825 0.286 1
1 788 . 17 1 1 A 73 73 VAL HA H 73 4.514 4.991 -0.477 1
1 789 . 17 1 1 A 73 73 VAL CB C 73 35.729 35.731 -0.002 1
1 799 . 17 1 1 A 73 73 VAL C C 73 175.529 175.075 0.454 1
1 800 . 17 1 1 A 74 74 VAL N N 74 121.061 120.945 0.116 1
1 801 . 17 1 1 A 74 74 VAL H H 74 8.947 8.969 -0.022 1
1 802 . 17 1 1 A 74 74 VAL CA C 74 59.858 59.121 0.737 1
1 803 . 17 1 1 A 74 74 VAL HA H 74 4.785 4.845 -0.060 1
1 804 . 17 1 1 A 74 74 VAL CB C 74 32.795 35.418 -2.623 1
1 814 . 17 1 1 A 74 74 VAL C C 74 176.022 175.531 0.491 1
1 815 . 17 1 1 A 75 75 LYS N N 75 120.273 121.505 -1.232 1
1 816 . 17 1 1 A 75 75 LYS H H 75 9.404 8.920 0.484 1
1 817 . 17 1 1 A 75 75 LYS CA C 75 55.705 55.898 -0.193 1
1 818 . 17 1 1 A 75 75 LYS HA H 75 4.653 4.658 -0.005 1
1 819 . 17 1 1 A 75 75 LYS CB C 75 34.767 33.227 1.540 1
1 827 . 17 1 1 A 75 75 LYS C C 75 175.025 176.153 -1.128 1
1 832 . 17 1 1 A 76 76 GLU N N 76 117.540 121.518 -3.978 1
1 833 . 17 1 1 A 76 76 GLU H H 76 7.224 7.795 -0.571 1
1 834 . 17 1 1 A 76 76 GLU CA C 76 54.893 54.745 0.148 1
1 835 . 17 1 1 A 76 76 GLU HA H 76 4.747 4.983 -0.236 1
1 836 . 17 1 1 A 76 76 GLU CB C 76 33.199 33.294 -0.095 1
1 840 . 17 1 1 A 76 76 GLU C C 76 175.664 175.351 0.313 1
1 843 . 17 1 1 A 77 77 ARG N N 77 125.564 122.160 3.404 1
1 844 . 17 1 1 A 77 77 ARG H H 77 8.906 8.614 0.292 1
1 845 . 17 1 1 A 77 77 ARG CA C 77 56.610 54.060 2.550 1
1 846 . 17 1 1 A 77 77 ARG HA H 77 4.234 5.082 -0.848 1
1 847 . 17 1 1 A 77 77 ARG CB C 77 31.036 33.191 -2.155 1
1 855 . 17 1 1 A 77 77 ARG C C 77 174.779 175.516 -0.737 1
1 859 . 17 1 1 A 78 78 GLY N N 78 108.773 107.542 1.231 1
1 860 . 17 1 1 A 78 78 GLY H H 78 8.928 8.585 0.343 1
1 861 . 17 1 1 A 78 78 GLY CA C 78 44.418 44.196 0.222 1
1 862 . 17 1 1 A 78 78 GLY HA3 H 78 3.770 4.183 -0.413 1
1 863 . 17 1 1 A 78 78 GLY C C 78 171.452 173.585 -2.133 1
1 864 . 17 1 1 A 78 78 GLY HA2 H 78 4.467 4.182 0.285 1
1 865 . 17 1 1 A 79 79 ASP N N 79 120.109 119.955 0.154 1
1 866 . 17 1 1 A 79 79 ASP H H 79 8.070 8.377 -0.307 1
1 867 . 17 1 1 A 79 79 ASP CA C 79 54.204 53.624 0.580 1
1 868 . 17 1 1 A 79 79 ASP HA H 79 5.344 5.222 0.122 1
1 869 . 17 1 1 A 79 79 ASP CB C 79 42.148 41.168 0.980 1
1 871 . 17 1 1 A 79 79 ASP C C 79 175.474 175.586 -0.112 1
1 873 . 17 1 1 A 80 80 TYR N N 80 121.969 121.853 0.116 1
1 874 . 17 1 1 A 80 80 TYR H H 80 9.412 9.634 -0.222 1
1 875 . 17 1 1 A 80 80 TYR CA C 80 56.872 56.480 0.392 1
1 876 . 17 1 1 A 80 80 TYR HA H 80 4.821 5.273 -0.452 1
1 877 . 17 1 1 A 80 80 TYR CB C 80 41.557 41.811 -0.254 1
1 887 . 17 1 1 A 80 80 TYR C C 80 175.552 175.052 0.500 1
1 889 . 17 1 1 A 81 81 VAL N N 81 121.669 119.959 1.710 1
1 890 . 17 1 1 A 81 81 VAL H H 81 8.688 8.546 0.142 1
1 891 . 17 1 1 A 81 81 VAL CA C 81 61.217 61.315 -0.098 1
1 892 . 17 1 1 A 81 81 VAL HA H 81 4.606 4.606 0.000 1
1 893 . 17 1 1 A 81 81 VAL CB C 81 33.990 33.472 0.518 1
1 903 . 17 1 1 A 81 81 VAL C C 81 173.568 174.221 -0.653 1
1 904 . 17 1 1 A 82 82 LEU N N 82 129.806 130.259 -0.453 1
1 905 . 17 1 1 A 82 82 LEU H H 82 8.873 8.700 0.173 1
1 906 . 17 1 1 A 82 82 LEU CA C 82 53.321 53.879 -0.558 1
1 907 . 17 1 1 A 82 82 LEU HA H 82 5.150 4.965 0.185 1
1 908 . 17 1 1 A 82 82 LEU CB C 82 44.594 43.542 1.052 1
1 920 . 17 1 1 A 82 82 LEU C C 82 174.427 174.832 -0.405 1
1 922 . 17 1 1 A 83 83 ALA N N 83 128.482 130.034 -1.552 1
1 923 . 17 1 1 A 83 83 ALA H H 83 9.294 9.150 0.144 1
1 924 . 17 1 1 A 83 83 ALA CA C 83 50.133 50.303 -0.170 1
1 925 . 17 1 1 A 83 83 ALA HA H 83 5.081 5.317 -0.236 1
1 926 . 17 1 1 A 83 83 ALA CB C 83 21.500 20.849 0.651 1
1 930 . 17 1 1 A 83 83 ALA C C 83 174.991 176.095 -1.104 1
1 931 . 17 1 1 A 84 84 VAL N N 84 121.691 123.967 -2.276 1
1 932 . 17 1 1 A 84 84 VAL H H 84 9.222 8.785 0.437 1
1 933 . 17 1 1 A 84 84 VAL CA C 84 61.324 61.262 0.062 1
1 934 . 17 1 1 A 84 84 VAL HA H 84 4.785 4.843 -0.058 1
1 935 . 17 1 1 A 84 84 VAL CB C 84 34.116 34.687 -0.571 1
1 945 . 17 1 1 A 84 84 VAL C C 84 174.156 174.533 -0.377 1
1 946 . 17 1 1 A 85 85 LYS N N 85 124.020 125.797 -1.777 1
1 947 . 17 1 1 A 85 85 LYS H H 85 9.193 8.501 0.692 1
1 948 . 17 1 1 A 85 85 LYS CA C 85 54.222 54.167 0.055 1
1 949 . 17 1 1 A 85 85 LYS HA H 85 4.958 5.191 -0.233 1
1 950 . 17 1 1 A 85 85 LYS CB C 85 34.814 35.740 -0.926 1
1 958 . 17 1 1 A 85 85 LYS C C 85 173.704 175.053 -1.349 1
1 963 . 17 1 1 A 86 86 TRP N N 86 123.429 124.447 -1.018 1
1 964 . 17 1 1 A 86 86 TRP H H 86 8.623 8.837 -0.214 1
1 965 . 17 1 1 A 86 86 TRP CA C 86 53.803 56.610 -2.807 1
1 966 . 17 1 1 A 86 86 TRP HA H 86 5.583 4.889 0.694 1
1 967 . 17 1 1 A 86 86 TRP CB C 86 32.084 31.470 0.614 1
1 981 . 17 1 1 A 86 86 TRP C C 86 176.916 175.769 1.147 1
1 983 . 17 1 1 A 87 87 GLY N N 87 116.722 114.806 1.916 1
1 984 . 17 1 1 A 87 87 GLY H H 87 8.782 8.904 -0.122 1
1 985 . 17 1 1 A 87 87 GLY CA C 87 46.432 46.805 -0.373 1
1 986 . 17 1 1 A 87 87 GLY HA3 H 87 3.152 3.604 -0.452 1
1 987 . 17 1 1 A 87 87 GLY C C 87 173.838 174.042 -0.204 1
1 988 . 17 1 1 A 87 87 GLY HA2 H 87 3.732 3.366 0.366 1
1 989 . 17 1 1 A 88 88 GLU N N 88 122.405 110.509 11.896 1
1 990 . 17 1 1 A 88 88 GLU H H 88 8.592 8.411 0.181 1
1 991 . 17 1 1 A 88 88 GLU CA C 88 56.004 57.603 -1.599 1
1 992 . 17 1 1 A 88 88 GLU HA H 88 4.057 3.799 0.258 1
1 993 . 17 1 1 A 88 88 GLU CB C 88 29.764 27.318 2.446 1
1 997 . 17 1 1 A 88 88 GLU C C 88 176.465 174.837 1.628 1
1 1000 . 17 1 1 A 89 89 GLU N N 89 117.358 117.101 0.257 1
1 1001 . 17 1 1 A 89 89 GLU H H 89 7.226 7.557 -0.331 1
1 1002 . 17 1 1 A 89 89 GLU CA C 89 54.921 54.815 0.106 1
1 1003 . 17 1 1 A 89 89 GLU HA H 89 4.580 5.131 -0.551 1
1 1004 . 17 1 1 A 89 89 GLU CB C 89 33.160 34.271 -1.111 1
1 1008 . 17 1 1 A 89 89 GLU C C 89 175.674 175.020 0.654 1
1 1011 . 17 1 1 A 90 90 HIS N N 90 122.210 116.544 5.666 1
1 1012 . 17 1 1 A 90 90 HIS H H 90 8.603 8.795 -0.192 1
1 1013 . 17 1 1 A 90 90 HIS CA C 90 58.321 54.735 3.586 1
1 1014 . 17 1 1 A 90 90 HIS HA H 90 4.343 5.142 -0.799 1
1 1015 . 17 1 1 A 90 90 HIS CB C 90 32.786 32.049 0.737 1
1 1021 . 17 1 1 A 90 90 HIS C C 90 177.001 175.328 1.673 1
1 1023 . 17 1 1 A 91 91 ILE N N 91 117.760 122.378 -4.618 1
1 1024 . 17 1 1 A 91 91 ILE H H 91 8.289 8.582 -0.293 1
1 1025 . 17 1 1 A 91 91 ILE CA C 91 61.019 60.281 0.738 1
1 1026 . 17 1 1 A 91 91 ILE HA H 91 4.482 4.284 0.198 1
1 1027 . 17 1 1 A 91 91 ILE CB C 91 35.655 37.756 -2.101 1
1 1039 . 17 1 1 A 91 91 ILE C C 91 173.231 175.493 -2.262 1
1 1041 . 17 1 1 A 92 92 PRO CA C 92 65.378 63.496 1.882 1
1 1042 . 17 1 1 A 92 92 PRO HA H 92 4.207 4.392 -0.185 1
1 1043 . 17 1 1 A 92 92 PRO CB C 92 31.301 31.029 0.272 1
1 1049 . 17 1 1 A 92 92 PRO C C 92 177.559 177.415 0.144 1
1 1053 . 17 1 1 A 93 93 GLY N N 93 115.174 113.176 1.998 1
1 1054 . 17 1 1 A 93 93 GLY H H 93 8.291 8.732 -0.441 1
1 1055 . 17 1 1 A 93 93 GLY CA C 93 44.729 44.780 -0.051 1
1 1056 . 17 1 1 A 93 93 GLY HA3 H 93 3.122 3.677 -0.555 1
1 1057 . 17 1 1 A 93 93 GLY C C 93 171.695 173.634 -1.939 1
1 1058 . 17 1 1 A 93 93 GLY HA2 H 93 4.116 3.610 0.506 1
1 1059 . 17 1 1 A 94 94 SER N N 94 112.948 116.991 -4.043 1
1 1060 . 17 1 1 A 94 94 SER H H 94 7.612 7.478 0.134 1
1 1061 . 17 1 1 A 94 94 SER CA C 94 54.585 55.029 -0.444 1
1 1062 . 17 1 1 A 94 94 SER HA H 94 4.002 4.877 -0.875 1
1 1063 . 17 1 1 A 94 94 SER CB C 94 62.348 65.033 -2.685 1
1 1065 . 17 1 1 A 94 94 SER C C 94 174.321 172.407 1.914 1
1 1067 . 17 1 1 A 95 95 PRO CA C 95 62.338 62.857 -0.519 1
1 1068 . 17 1 1 A 95 95 PRO HA H 95 5.296 4.861 0.435 1
1 1069 . 17 1 1 A 95 95 PRO CB C 95 33.730 32.686 1.044 1
1 1075 . 17 1 1 A 95 95 PRO C C 95 175.728 176.952 -1.224 1
1 1079 . 17 1 1 A 96 96 PHE N N 96 124.415 121.424 2.991 1
1 1080 . 17 1 1 A 96 96 PHE H H 96 9.643 8.641 1.002 1
1 1081 . 17 1 1 A 96 96 PHE CA C 96 57.405 57.835 -0.430 1
1 1082 . 17 1 1 A 96 96 PHE HA H 96 4.474 4.799 -0.325 1
1 1083 . 17 1 1 A 96 96 PHE CB C 96 40.160 39.984 0.176 1
1 1095 . 17 1 1 A 96 96 PHE C C 96 175.736 175.296 0.440 1
1 1097 . 17 1 1 A 97 97 HIS N N 97 121.364 122.397 -1.033 1
1 1098 . 17 1 1 A 97 97 HIS H H 97 8.898 8.861 0.037 1
1 1099 . 17 1 1 A 97 97 HIS CA C 97 55.214 54.636 0.578 1
1 1100 . 17 1 1 A 97 97 HIS HA H 97 5.124 4.971 0.153 1
1 1101 . 17 1 1 A 97 97 HIS CB C 97 29.981 30.921 -0.940 1
1 1107 . 17 1 1 A 97 97 HIS C C 97 173.895 173.149 0.746 1
1 1109 . 17 1 1 A 98 98 VAL N N 98 127.912 128.886 -0.974 1
1 1110 . 17 1 1 A 98 98 VAL H H 98 8.582 8.794 -0.212 1
1 1111 . 17 1 1 A 98 98 VAL CA C 98 61.467 61.507 -0.040 1
1 1112 . 17 1 1 A 98 98 VAL HA H 98 4.096 4.490 -0.394 1
1 1113 . 17 1 1 A 98 98 VAL CB C 98 35.455 32.550 2.905 1
1 1123 . 17 1 1 A 98 98 VAL C C 98 174.874 175.279 -0.405 1
1 1124 . 17 1 1 A 99 99 THR N N 99 123.090 122.903 0.187 1
1 1125 . 17 1 1 A 99 99 THR H H 99 8.117 8.810 -0.693 1
1 1126 . 17 1 1 A 99 99 THR CA C 99 62.031 61.955 0.076 1
1 1127 . 17 1 1 A 99 99 THR HA H 99 4.852 4.886 -0.034 1
1 1128 . 17 1 1 A 99 99 THR CB C 99 70.661 69.758 0.903 1
1 1134 . 17 1 1 A 99 99 THR C C 99 173.264 174.086 -0.822 1
1 1135 . 17 1 1 A 100 100 VAL N N 100 129.827 126.592 3.235 1
1 1136 . 17 1 1 A 100 100 VAL H H 100 8.812 9.308 -0.496 1
1 1137 . 17 1 1 A 100 100 VAL CA C 100 58.577 58.766 -0.189 1
1 1138 . 17 1 1 A 100 100 VAL HA H 100 5.053 4.763 0.290 1
1 1139 . 17 1 1 A 100 100 VAL CB C 100 33.365 33.058 0.307 1
1 1149 . 17 1 1 A 100 100 VAL C C 100 174.927 174.444 0.483 1
1 1 . 18 1 1 A 6 6 SER CA C 6 58.666 56.405 2.261 1
1 2 . 18 1 1 A 6 6 SER HA H 6 4.514 5.500 -0.986 1
1 3 . 18 1 1 A 6 6 SER CB C 6 63.933 65.725 -1.792 1
1 5 . 18 1 1 A 6 6 SER C C 6 175.074 173.386 1.688 1
1 7 . 18 1 1 A 7 7 GLY N N 7 110.792 108.949 1.843 1
1 8 . 18 1 1 A 7 7 GLY H H 7 8.450 8.378 0.072 1
1 9 . 18 1 1 A 7 7 GLY CA C 7 45.406 45.536 -0.130 1
1 10 . 18 1 1 A 7 7 GLY HA3 H 7 4.052 4.151 -0.099 1
1 11 . 18 1 1 A 7 7 GLY C C 7 174.270 171.961 2.309 1
1 12 . 18 1 1 A 7 7 GLY HA2 H 7 4.052 4.142 -0.090 1
1 13 . 18 1 1 A 8 8 SER N N 8 115.558 116.323 -0.765 1
1 14 . 18 1 1 A 8 8 SER H H 8 8.274 8.416 -0.142 1
1 15 . 18 1 1 A 8 8 SER CA C 8 58.332 57.914 0.418 1
1 16 . 18 1 1 A 8 8 SER HA H 8 4.557 4.605 -0.048 1
1 17 . 18 1 1 A 8 8 SER CB C 8 63.930 63.300 0.630 1
1 19 . 18 1 1 A 8 8 SER C C 8 174.064 174.157 -0.093 1
1 21 . 18 1 1 A 9 9 SER N N 9 116.801 124.544 -7.743 1
1 22 . 18 1 1 A 9 9 SER H H 9 8.227 8.593 -0.366 1
1 23 . 18 1 1 A 9 9 SER CA C 9 58.075 60.004 -1.929 1
1 24 . 18 1 1 A 9 9 SER HA H 9 5.001 4.636 0.365 1
1 25 . 18 1 1 A 9 9 SER CB C 9 64.491 63.693 0.798 1
1 27 . 18 1 1 A 9 9 SER C C 9 174.318 173.856 0.462 1
1 29 . 18 1 1 A 10 10 ASP N N 10 122.324 126.484 -4.160 1
1 30 . 18 1 1 A 10 10 ASP H H 10 8.262 8.631 -0.369 1
1 31 . 18 1 1 A 10 10 ASP CA C 10 53.833 52.866 0.967 1
1 32 . 18 1 1 A 10 10 ASP HA H 10 4.892 5.135 -0.243 1
1 33 . 18 1 1 A 10 10 ASP CB C 10 41.497 42.676 -1.179 1
1 35 . 18 1 1 A 10 10 ASP C C 10 176.306 176.784 -0.478 1
1 37 . 18 1 1 A 11 11 ALA N N 11 126.255 129.463 -3.208 1
1 38 . 18 1 1 A 11 11 ALA H H 11 9.091 9.197 -0.106 1
1 39 . 18 1 1 A 11 11 ALA CA C 11 54.713 55.295 -0.582 1
1 40 . 18 1 1 A 11 11 ALA HA H 11 4.056 4.150 -0.094 1
1 41 . 18 1 1 A 11 11 ALA CB C 11 20.177 18.394 1.783 1
1 45 . 18 1 1 A 11 11 ALA C C 11 177.950 179.715 -1.765 1
1 46 . 18 1 1 A 12 12 SER N N 12 110.658 113.464 -2.806 1
1 47 . 18 1 1 A 12 12 SER H H 12 8.224 8.132 0.092 1
1 48 . 18 1 1 A 12 12 SER CA C 12 60.857 61.012 -0.155 1
1 49 . 18 1 1 A 12 12 SER HA H 12 4.240 4.194 0.046 1
1 50 . 18 1 1 A 12 12 SER CB C 12 62.964 63.200 -0.236 1
1 52 . 18 1 1 A 12 12 SER C C 12 175.312 176.141 -0.829 1
1 54 . 18 1 1 A 13 13 LYS N N 13 119.063 118.061 1.002 1
1 55 . 18 1 1 A 13 13 LYS H H 13 7.349 7.727 -0.378 1
1 56 . 18 1 1 A 13 13 LYS CA C 13 54.948 57.723 -2.775 1
1 57 . 18 1 1 A 13 13 LYS HA H 13 4.293 4.340 -0.047 1
1 58 . 18 1 1 A 13 13 LYS CB C 13 33.037 33.194 -0.157 1
1 66 . 18 1 1 A 13 13 LYS C C 13 177.263 177.395 -0.132 1
1 71 . 18 1 1 A 14 14 VAL N N 14 124.317 120.604 3.713 1
1 72 . 18 1 1 A 14 14 VAL H H 14 7.500 7.309 0.191 1
1 73 . 18 1 1 A 14 14 VAL CA C 14 63.797 63.052 0.745 1
1 74 . 18 1 1 A 14 14 VAL HA H 14 3.870 3.693 0.177 1
1 75 . 18 1 1 A 14 14 VAL CB C 14 31.996 31.195 0.801 1
1 85 . 18 1 1 A 14 14 VAL C C 14 175.873 174.885 0.988 1
1 86 . 18 1 1 A 15 15 THR N N 15 117.704 118.725 -1.021 1
1 87 . 18 1 1 A 15 15 THR H H 15 8.197 8.289 -0.092 1
1 88 . 18 1 1 A 15 15 THR CA C 15 59.805 59.834 -0.029 1
1 89 . 18 1 1 A 15 15 THR HA H 15 4.911 5.258 -0.347 1
1 90 . 18 1 1 A 15 15 THR CB C 15 71.373 71.677 -0.304 1
1 96 . 18 1 1 A 15 15 THR C C 15 172.695 173.747 -1.052 1
1 97 . 18 1 1 A 16 16 SER N N 16 113.256 115.280 -2.024 1
1 98 . 18 1 1 A 16 16 SER H H 16 8.442 8.817 -0.375 1
1 99 . 18 1 1 A 16 16 SER CA C 16 57.155 57.154 0.001 1
1 100 . 18 1 1 A 16 16 SER HA H 16 5.564 5.367 0.197 1
1 101 . 18 1 1 A 16 16 SER CB C 16 66.124 66.223 -0.099 1
1 103 . 18 1 1 A 16 16 SER C C 16 173.455 173.346 0.109 1
1 105 . 18 1 1 A 17 17 LYS N N 17 117.543 120.800 -3.257 1
1 106 . 18 1 1 A 17 17 LYS H H 17 8.870 8.654 0.216 1
1 107 . 18 1 1 A 17 17 LYS CA C 17 56.063 54.343 1.720 1
1 108 . 18 1 1 A 17 17 LYS HA H 17 4.673 5.159 -0.486 1
1 109 . 18 1 1 A 17 17 LYS CB C 17 35.602 36.234 -0.632 1
1 117 . 18 1 1 A 17 17 LYS C C 17 174.625 175.111 -0.486 1
1 122 . 18 1 1 A 18 18 GLY N N 18 110.702 107.914 2.788 1
1 123 . 18 1 1 A 18 18 GLY H H 18 8.746 8.546 0.200 1
1 124 . 18 1 1 A 18 18 GLY CA C 18 44.501 44.508 -0.007 1
1 125 . 18 1 1 A 18 18 GLY HA3 H 18 3.998 4.309 -0.311 1
1 126 . 18 1 1 A 18 18 GLY C C 18 175.460 174.722 0.738 1
1 127 . 18 1 1 A 18 18 GLY HA2 H 18 4.947 4.265 0.682 1
1 128 . 18 1 1 A 19 19 ALA CA C 19 55.387 55.029 0.358 1
1 129 . 18 1 1 A 19 19 ALA HA H 19 4.229 4.095 0.134 1
1 130 . 18 1 1 A 19 19 ALA CB C 19 18.689 18.750 -0.061 1
1 134 . 18 1 1 A 19 19 ALA C C 19 179.606 179.808 -0.202 1
1 135 . 18 1 1 A 20 20 GLY N N 20 101.587 107.066 -5.479 1
1 136 . 18 1 1 A 20 20 GLY H H 20 8.466 8.290 0.176 1
1 137 . 18 1 1 A 20 20 GLY CA C 20 46.078 47.279 -1.201 1
1 138 . 18 1 1 A 20 20 GLY HA3 H 20 3.596 3.872 -0.276 1
1 139 . 18 1 1 A 20 20 GLY C C 20 173.214 176.449 -3.235 1
1 140 . 18 1 1 A 20 20 GLY HA2 H 20 4.689 3.871 0.818 1
1 141 . 18 1 1 A 21 21 LEU N N 21 115.987 122.958 -6.971 1
1 142 . 18 1 1 A 21 21 LEU H H 21 6.928 7.941 -1.013 1
1 143 . 18 1 1 A 21 21 LEU CA C 21 55.567 57.401 -1.834 1
1 144 . 18 1 1 A 21 21 LEU HA H 21 3.404 3.850 -0.446 1
1 145 . 18 1 1 A 21 21 LEU CB C 21 41.702 40.932 0.770 1
1 157 . 18 1 1 A 21 21 LEU C C 21 175.989 179.660 -3.671 1
1 159 . 18 1 1 A 22 22 SER N N 22 106.483 113.457 -6.974 1
1 160 . 18 1 1 A 22 22 SER H H 22 7.808 7.833 -0.025 1
1 161 . 18 1 1 A 22 22 SER CA C 22 58.956 61.136 -2.180 1
1 162 . 18 1 1 A 22 22 SER HA H 22 4.901 4.425 0.476 1
1 163 . 18 1 1 A 22 22 SER CB C 22 66.238 63.664 2.574 1
1 165 . 18 1 1 A 22 22 SER C C 22 174.051 174.142 -0.091 1
1 167 . 18 1 1 A 23 23 LYS N N 23 124.757 115.037 9.720 1
1 168 . 18 1 1 A 23 23 LYS H H 23 8.399 8.031 0.368 1
1 169 . 18 1 1 A 23 23 LYS CA C 23 55.676 54.935 0.741 1
1 170 . 18 1 1 A 23 23 LYS HA H 23 4.973 4.756 0.217 1
1 171 . 18 1 1 A 23 23 LYS CB C 23 36.338 35.861 0.477 1
1 179 . 18 1 1 A 23 23 LYS C C 23 173.136 173.833 -0.697 1
1 184 . 18 1 1 A 24 24 ALA N N 24 123.565 121.817 1.748 1
1 185 . 18 1 1 A 24 24 ALA H H 24 7.541 8.854 -1.313 1
1 186 . 18 1 1 A 24 24 ALA CA C 24 51.148 50.079 1.069 1
1 187 . 18 1 1 A 24 24 ALA HA H 24 4.256 5.651 -1.395 1
1 188 . 18 1 1 A 24 24 ALA CB C 24 22.019 23.159 -1.140 1
1 192 . 18 1 1 A 24 24 ALA C C 24 173.515 175.752 -2.237 1
1 193 . 18 1 1 A 25 25 PHE N N 25 114.269 117.545 -3.276 1
1 194 . 18 1 1 A 25 25 PHE H H 25 7.858 8.990 -1.132 1
1 195 . 18 1 1 A 25 25 PHE CA C 25 55.809 56.390 -0.581 1
1 196 . 18 1 1 A 25 25 PHE HA H 25 5.191 4.963 0.228 1
1 197 . 18 1 1 A 25 25 PHE CB C 25 41.943 42.104 -0.161 1
1 209 . 18 1 1 A 25 25 PHE C C 25 177.046 175.638 1.408 1
1 211 . 18 1 1 A 26 26 VAL N N 26 123.270 123.249 0.021 1
1 212 . 18 1 1 A 26 26 VAL H H 26 9.338 8.687 0.651 1
1 213 . 18 1 1 A 26 26 VAL CA C 26 65.054 65.269 -0.215 1
1 214 . 18 1 1 A 26 26 VAL HA H 26 3.441 3.546 -0.105 1
1 215 . 18 1 1 A 26 26 VAL CB C 26 31.757 31.527 0.230 1
1 225 . 18 1 1 A 26 26 VAL C C 26 178.201 177.246 0.955 1
1 226 . 18 1 1 A 27 27 GLY N N 27 112.668 114.806 -2.138 1
1 227 . 18 1 1 A 27 27 GLY H H 27 8.862 9.132 -0.270 1
1 228 . 18 1 1 A 27 27 GLY CA C 27 45.857 45.442 0.415 1
1 229 . 18 1 1 A 27 27 GLY HA3 H 27 4.229 4.040 0.189 1
1 230 . 18 1 1 A 27 27 GLY C C 27 173.411 174.165 -0.754 1
1 231 . 18 1 1 A 27 27 GLY HA2 H 27 3.631 4.037 -0.406 1
1 232 . 18 1 1 A 28 28 GLN N N 28 118.568 120.689 -2.121 1
1 233 . 18 1 1 A 28 28 GLN H H 28 7.755 8.308 -0.553 1
1 234 . 18 1 1 A 28 28 GLN CA C 28 53.825 56.872 -3.047 1
1 235 . 18 1 1 A 28 28 GLN HA H 28 4.690 4.273 0.417 1
1 236 . 18 1 1 A 28 28 GLN CB C 28 30.975 29.967 1.008 1
1 243 . 18 1 1 A 28 28 GLN C C 28 175.517 174.444 1.073 1
1 246 . 18 1 1 A 29 29 LYS N N 29 123.598 123.597 0.001 1
1 247 . 18 1 1 A 29 29 LYS H H 29 8.839 8.473 0.366 1
1 248 . 18 1 1 A 29 29 LYS CA C 29 57.587 54.694 2.893 1
1 249 . 18 1 1 A 29 29 LYS HA H 29 4.158 4.709 -0.551 1
1 250 . 18 1 1 A 29 29 LYS CB C 29 32.381 33.814 -1.433 1
1 258 . 18 1 1 A 29 29 LYS C C 29 176.190 174.504 1.686 1
1 263 . 18 1 1 A 30 30 SER N N 30 124.030 124.475 -0.445 1
1 264 . 18 1 1 A 30 30 SER H H 30 8.694 8.106 0.588 1
1 265 . 18 1 1 A 30 30 SER CA C 30 57.560 58.464 -0.904 1
1 266 . 18 1 1 A 30 30 SER HA H 30 4.758 4.742 0.016 1
1 267 . 18 1 1 A 30 30 SER CB C 30 64.143 63.740 0.403 1
1 269 . 18 1 1 A 30 30 SER C C 30 173.413 173.881 -0.468 1
1 271 . 18 1 1 A 31 31 SER N N 31 116.828 119.015 -2.187 1
1 272 . 18 1 1 A 31 31 SER H H 31 8.894 8.643 0.251 1
1 273 . 18 1 1 A 31 31 SER CA C 31 57.132 55.617 1.515 1
1 274 . 18 1 1 A 31 31 SER HA H 31 6.181 5.324 0.857 1
1 275 . 18 1 1 A 31 31 SER CB C 31 67.745 66.501 1.244 1
1 277 . 18 1 1 A 31 31 SER C C 31 174.171 173.584 0.587 1
1 279 . 18 1 1 A 32 32 PHE N N 32 117.724 117.084 0.640 1
1 280 . 18 1 1 A 32 32 PHE H H 32 8.853 8.433 0.420 1
1 281 . 18 1 1 A 32 32 PHE CA C 32 57.190 56.049 1.141 1
1 282 . 18 1 1 A 32 32 PHE HA H 32 5.016 5.236 -0.220 1
1 283 . 18 1 1 A 32 32 PHE CB C 32 40.712 41.809 -1.097 1
1 295 . 18 1 1 A 32 32 PHE C C 32 170.765 172.095 -1.330 1
1 297 . 18 1 1 A 33 33 LEU N N 33 121.533 122.840 -1.307 1
1 298 . 18 1 1 A 33 33 LEU H H 33 9.223 8.819 0.404 1
1 299 . 18 1 1 A 33 33 LEU CA C 33 53.636 53.625 0.011 1
1 300 . 18 1 1 A 33 33 LEU HA H 33 5.531 5.181 0.350 1
1 301 . 18 1 1 A 33 33 LEU CB C 33 46.278 45.330 0.948 1
1 313 . 18 1 1 A 33 33 LEU C C 33 176.559 174.370 2.189 1
1 315 . 18 1 1 A 34 34 VAL N N 34 123.140 126.021 -2.881 1
1 316 . 18 1 1 A 34 34 VAL H H 34 9.257 8.730 0.527 1
1 317 . 18 1 1 A 34 34 VAL CA C 34 61.182 61.373 -0.191 1
1 318 . 18 1 1 A 34 34 VAL HA H 34 4.785 4.667 0.118 1
1 319 . 18 1 1 A 34 34 VAL CB C 34 34.589 33.696 0.893 1
1 329 . 18 1 1 A 34 34 VAL C C 34 174.370 173.747 0.623 1
1 330 . 18 1 1 A 35 35 ASP N N 35 126.353 127.890 -1.537 1
1 331 . 18 1 1 A 35 35 ASP H H 35 9.312 8.568 0.744 1
1 332 . 18 1 1 A 35 35 ASP CA C 35 53.298 53.342 -0.044 1
1 333 . 18 1 1 A 35 35 ASP HA H 35 5.229 4.859 0.370 1
1 334 . 18 1 1 A 35 35 ASP CB C 35 41.538 41.216 0.322 1
1 336 . 18 1 1 A 35 35 ASP C C 35 176.980 176.455 0.525 1
1 338 . 18 1 1 A 36 36 CYS N N 36 125.342 124.381 0.961 1
1 339 . 18 1 1 A 36 36 CYS H H 36 9.275 8.573 0.702 1
1 340 . 18 1 1 A 36 36 CYS CA C 36 57.367 58.078 -0.711 1
1 341 . 18 1 1 A 36 36 CYS HA H 36 4.374 4.529 -0.155 1
1 342 . 18 1 1 A 36 36 CYS CB C 36 28.369 27.248 1.121 1
1 344 . 18 1 1 A 36 36 CYS C C 36 177.015 175.359 1.656 1
1 346 . 18 1 1 A 37 37 SER N N 37 119.973 116.530 3.443 1
1 347 . 18 1 1 A 37 37 SER H H 37 9.039 7.908 1.131 1
1 348 . 18 1 1 A 37 37 SER CA C 37 62.787 61.325 1.462 1
1 349 . 18 1 1 A 37 37 SER HA H 37 3.932 4.343 -0.411 1
1 350 . 18 1 1 A 37 37 SER CB C 37 62.982 62.896 0.086 1
1 352 . 18 1 1 A 37 37 SER C C 37 176.290 177.317 -1.027 1
1 354 . 18 1 1 A 38 38 LYS N N 38 120.815 120.496 0.319 1
1 355 . 18 1 1 A 38 38 LYS H H 38 8.676 7.717 0.959 1
1 356 . 18 1 1 A 38 38 LYS CA C 38 55.123 58.895 -3.772 1
1 357 . 18 1 1 A 38 38 LYS HA H 38 4.730 4.077 0.653 1
1 358 . 18 1 1 A 38 38 LYS CB C 38 32.250 32.072 0.178 1
1 366 . 18 1 1 A 38 38 LYS C C 38 176.385 179.234 -2.849 1
1 371 . 18 1 1 A 39 39 ALA N N 39 121.594 122.454 -0.860 1
1 372 . 18 1 1 A 39 39 ALA H H 39 7.322 7.959 -0.637 1
1 373 . 18 1 1 A 39 39 ALA CA C 39 52.127 54.829 -2.702 1
1 374 . 18 1 1 A 39 39 ALA HA H 39 4.436 4.105 0.331 1
1 375 . 18 1 1 A 39 39 ALA CB C 39 21.347 19.312 2.035 1
1 379 . 18 1 1 A 39 39 ALA C C 39 177.453 177.837 -0.384 1
1 380 . 18 1 1 A 40 40 GLY N N 40 111.873 103.502 8.371 1
1 381 . 18 1 1 A 40 40 GLY H H 40 8.755 7.697 1.058 1
1 382 . 18 1 1 A 40 40 GLY CA C 40 45.619 46.182 -0.563 1
1 383 . 18 1 1 A 40 40 GLY HA3 H 40 4.329 4.298 0.031 1
1 384 . 18 1 1 A 40 40 GLY C C 40 173.801 171.898 1.903 1
1 385 . 18 1 1 A 40 40 GLY HA2 H 40 3.754 4.257 -0.503 1
1 386 . 18 1 1 A 41 41 SER N N 41 117.149 116.425 0.724 1
1 387 . 18 1 1 A 41 41 SER H H 41 8.524 8.288 0.236 1
1 388 . 18 1 1 A 41 41 SER CA C 41 56.849 58.077 -1.228 1
1 389 . 18 1 1 A 41 41 SER HA H 41 5.010 5.174 -0.164 1
1 390 . 18 1 1 A 41 41 SER CB C 41 63.917 65.108 -1.191 1
1 392 . 18 1 1 A 41 41 SER C C 41 172.603 172.276 0.327 1
1 394 . 18 1 1 A 42 42 ASN N N 42 125.590 124.553 1.037 1
1 395 . 18 1 1 A 42 42 ASN H H 42 7.155 8.916 -1.761 1
1 396 . 18 1 1 A 42 42 ASN CA C 42 50.805 51.738 -0.933 1
1 397 . 18 1 1 A 42 42 ASN HA H 42 3.256 4.920 -1.664 1
1 398 . 18 1 1 A 42 42 ASN CB C 42 39.354 41.496 -2.142 1
1 403 . 18 1 1 A 42 42 ASN C C 42 170.908 173.327 -2.419 1
1 405 . 18 1 1 A 43 43 MET N N 43 115.129 119.327 -4.198 1
1 406 . 18 1 1 A 43 43 MET H H 43 8.366 8.310 0.056 1
1 407 . 18 1 1 A 43 43 MET CA C 43 53.424 53.384 0.040 1
1 408 . 18 1 1 A 43 43 MET HA H 43 4.102 5.019 -0.917 1
1 409 . 18 1 1 A 43 43 MET CB C 43 35.572 34.042 1.530 1
1 417 . 18 1 1 A 43 43 MET C C 43 173.140 174.296 -1.156 1
1 420 . 18 1 1 A 44 44 LEU N N 44 128.038 125.507 2.531 1
1 421 . 18 1 1 A 44 44 LEU H H 44 8.300 8.621 -0.321 1
1 422 . 18 1 1 A 44 44 LEU CA C 44 53.806 53.370 0.436 1
1 423 . 18 1 1 A 44 44 LEU HA H 44 5.331 5.133 0.198 1
1 424 . 18 1 1 A 44 44 LEU CB C 44 43.598 44.022 -0.424 1
1 436 . 18 1 1 A 44 44 LEU C C 44 175.236 175.758 -0.522 1
1 438 . 18 1 1 A 45 45 LEU N N 45 126.999 122.403 4.596 1
1 439 . 18 1 1 A 45 45 LEU H H 45 9.109 9.013 0.096 1
1 440 . 18 1 1 A 45 45 LEU CA C 45 54.800 52.541 2.259 1
1 441 . 18 1 1 A 45 45 LEU HA H 45 5.135 5.291 -0.156 1
1 442 . 18 1 1 A 45 45 LEU CB C 45 45.499 45.661 -0.162 1
1 454 . 18 1 1 A 45 45 LEU C C 45 175.167 175.829 -0.662 1
1 456 . 18 1 1 A 46 46 ILE N N 46 118.172 119.691 -1.519 1
1 457 . 18 1 1 A 46 46 ILE H H 46 7.966 8.765 -0.799 1
1 458 . 18 1 1 A 46 46 ILE CA C 46 58.091 59.634 -1.543 1
1 459 . 18 1 1 A 46 46 ILE HA H 46 5.412 5.037 0.375 1
1 460 . 18 1 1 A 46 46 ILE CB C 46 41.988 42.001 -0.013 1
1 472 . 18 1 1 A 46 46 ILE C C 46 174.748 175.680 -0.932 1
1 474 . 18 1 1 A 47 47 GLY N N 47 110.148 116.028 -5.880 1
1 475 . 18 1 1 A 47 47 GLY H H 47 8.554 8.654 -0.100 1
1 476 . 18 1 1 A 47 47 GLY CA C 47 46.136 46.135 0.001 1
1 477 . 18 1 1 A 47 47 GLY HA3 H 47 4.604 4.291 0.313 1
1 478 . 18 1 1 A 47 47 GLY C C 47 171.583 173.886 -2.303 1
1 479 . 18 1 1 A 47 47 GLY HA2 H 47 3.933 4.274 -0.341 1
1 480 . 18 1 1 A 48 48 VAL N N 48 120.434 118.521 1.913 1
1 481 . 18 1 1 A 48 48 VAL H H 48 9.048 7.634 1.414 1
1 482 . 18 1 1 A 48 48 VAL CA C 48 61.060 62.469 -1.409 1
1 483 . 18 1 1 A 48 48 VAL HA H 48 5.143 4.100 1.043 1
1 484 . 18 1 1 A 48 48 VAL CB C 48 34.976 31.980 2.996 1
1 494 . 18 1 1 A 48 48 VAL C C 48 175.260 175.384 -0.124 1
1 495 . 18 1 1 A 49 49 HIS N N 49 127.718 127.360 0.358 1
1 496 . 18 1 1 A 49 49 HIS H H 49 9.556 8.891 0.665 1
1 497 . 18 1 1 A 49 49 HIS CA C 49 55.342 56.645 -1.303 1
1 498 . 18 1 1 A 49 49 HIS HA H 49 4.987 4.812 0.175 1
1 499 . 18 1 1 A 49 49 HIS CB C 49 34.476 30.939 3.537 1
1 505 . 18 1 1 A 49 49 HIS C C 49 173.822 174.575 -0.753 1
1 507 . 18 1 1 A 50 50 GLY N N 50 115.577 112.178 3.399 1
1 508 . 18 1 1 A 50 50 GLY H H 50 8.192 8.442 -0.250 1
1 509 . 18 1 1 A 50 50 GLY CA C 50 44.693 46.733 -2.040 1
1 510 . 18 1 1 A 50 50 GLY HA3 H 50 3.247 4.234 -0.987 1
1 511 . 18 1 1 A 50 50 GLY C C 50 171.437 174.019 -2.582 1
1 512 . 18 1 1 A 50 50 GLY HA2 H 50 3.722 4.175 -0.453 1
1 513 . 18 1 1 A 51 51 PRO CA C 51 64.376 64.776 -0.400 1
1 514 . 18 1 1 A 51 51 PRO HA H 51 4.104 4.493 -0.389 1
1 515 . 18 1 1 A 51 51 PRO CB C 51 32.141 32.069 0.072 1
1 521 . 18 1 1 A 51 51 PRO C C 51 177.607 177.585 0.022 1
1 525 . 18 1 1 A 52 52 THR N N 52 109.088 108.250 0.838 1
1 526 . 18 1 1 A 52 52 THR H H 52 8.447 7.901 0.546 1
1 527 . 18 1 1 A 52 52 THR CA C 52 62.861 62.045 0.816 1
1 528 . 18 1 1 A 52 52 THR HA H 52 4.424 4.525 -0.101 1
1 529 . 18 1 1 A 52 52 THR CB C 52 70.329 70.090 0.239 1
1 535 . 18 1 1 A 52 52 THR C C 52 174.926 174.530 0.396 1
1 536 . 18 1 1 A 53 53 THR N N 53 118.915 112.189 6.726 1
1 537 . 18 1 1 A 53 53 THR H H 53 7.983 7.731 0.252 1
1 538 . 18 1 1 A 53 53 THR CA C 53 59.878 58.468 1.410 1
1 539 . 18 1 1 A 53 53 THR HA H 53 4.751 4.915 -0.164 1
1 540 . 18 1 1 A 53 53 THR CB C 53 71.034 70.686 0.348 1
1 546 . 18 1 1 A 53 53 THR C C 53 172.019 172.129 -0.110 1
1 547 . 18 1 1 A 54 54 PRO CA C 54 62.614 62.376 0.238 1
1 548 . 18 1 1 A 54 54 PRO HA H 54 4.629 4.598 0.031 1
1 549 . 18 1 1 A 54 54 PRO CB C 54 32.845 32.707 0.138 1
1 555 . 18 1 1 A 54 54 PRO C C 54 177.751 175.796 1.955 1
1 559 . 18 1 1 A 55 55 CYS N N 55 121.538 120.970 0.568 1
1 560 . 18 1 1 A 55 55 CYS H H 55 8.938 8.574 0.364 1
1 561 . 18 1 1 A 55 55 CYS CA C 55 60.342 57.648 2.694 1
1 562 . 18 1 1 A 55 55 CYS HA H 55 4.563 4.906 -0.343 1
1 563 . 18 1 1 A 55 55 CYS CB C 55 27.534 29.722 -2.188 1
1 565 . 18 1 1 A 55 55 CYS C C 55 174.437 175.522 -1.085 1
1 567 . 18 1 1 A 56 56 GLU N N 56 124.530 124.760 -0.230 1
1 568 . 18 1 1 A 56 56 GLU H H 56 8.450 9.266 -0.816 1
1 569 . 18 1 1 A 56 56 GLU CA C 56 59.363 58.907 0.456 1
1 570 . 18 1 1 A 56 56 GLU HA H 56 4.471 4.179 0.292 1
1 571 . 18 1 1 A 56 56 GLU CB C 56 31.217 30.632 0.585 1
1 575 . 18 1 1 A 56 56 GLU C C 56 176.847 176.264 0.583 1
1 578 . 18 1 1 A 57 57 GLU N N 57 114.661 113.935 0.726 1
1 579 . 18 1 1 A 57 57 GLU H H 57 7.478 7.749 -0.271 1
1 580 . 18 1 1 A 57 57 GLU CA C 57 55.551 55.475 0.076 1
1 581 . 18 1 1 A 57 57 GLU HA H 57 5.414 4.682 0.732 1
1 582 . 18 1 1 A 57 57 GLU CB C 57 34.084 31.618 2.466 1
1 586 . 18 1 1 A 57 57 GLU C C 57 174.400 173.844 0.556 1
1 589 . 18 1 1 A 58 58 VAL N N 58 123.611 120.164 3.447 1
1 590 . 18 1 1 A 58 58 VAL H H 58 8.605 8.398 0.207 1
1 591 . 18 1 1 A 58 58 VAL CA C 58 62.048 61.735 0.313 1
1 592 . 18 1 1 A 58 58 VAL HA H 58 4.941 4.748 0.193 1
1 593 . 18 1 1 A 58 58 VAL CB C 58 35.700 34.447 1.253 1
1 603 . 18 1 1 A 58 58 VAL C C 58 174.426 174.365 0.061 1
1 604 . 18 1 1 A 59 59 SER N N 59 121.592 123.646 -2.054 1
1 605 . 18 1 1 A 59 59 SER H H 59 9.635 9.353 0.282 1
1 606 . 18 1 1 A 59 59 SER CA C 59 57.012 56.798 0.214 1
1 607 . 18 1 1 A 59 59 SER HA H 59 5.526 4.925 0.601 1
1 608 . 18 1 1 A 59 59 SER CB C 59 65.896 64.078 1.818 1
1 610 . 18 1 1 A 59 59 SER C C 59 172.465 173.490 -1.025 1
1 612 . 18 1 1 A 60 60 MET N N 60 122.508 127.006 -4.498 1
1 613 . 18 1 1 A 60 60 MET H H 60 9.435 9.076 0.359 1
1 614 . 18 1 1 A 60 60 MET CA C 60 54.541 53.635 0.906 1
1 615 . 18 1 1 A 60 60 MET HA H 60 5.352 5.659 -0.307 1
1 616 . 18 1 1 A 60 60 MET CB C 60 37.420 34.852 2.568 1
1 624 . 18 1 1 A 60 60 MET C C 60 174.616 175.318 -0.702 1
1 627 . 18 1 1 A 61 61 LYS N N 61 125.580 124.085 1.495 1
1 628 . 18 1 1 A 61 61 LYS H H 61 8.963 8.886 0.077 1
1 629 . 18 1 1 A 61 61 LYS CA C 61 54.688 55.356 -0.668 1
1 630 . 18 1 1 A 61 61 LYS HA H 61 5.396 5.082 0.314 1
1 631 . 18 1 1 A 61 61 LYS CB C 61 36.412 36.395 0.017 1
1 639 . 18 1 1 A 61 61 LYS C C 61 175.548 174.282 1.266 1
1 644 . 18 1 1 A 62 62 HIS N N 62 125.822 125.926 -0.104 1
1 645 . 18 1 1 A 62 62 HIS H H 62 8.967 8.886 0.081 1
1 646 . 18 1 1 A 62 62 HIS CA C 62 55.674 54.034 1.640 1
1 647 . 18 1 1 A 62 62 HIS HA H 62 4.621 4.757 -0.136 1
1 648 . 18 1 1 A 62 62 HIS CB C 62 29.732 29.687 0.045 1
1 654 . 18 1 1 A 62 62 HIS C C 62 175.912 175.059 0.853 1
1 656 . 18 1 1 A 63 63 VAL N N 63 124.131 123.827 0.304 1
1 657 . 18 1 1 A 63 63 VAL H H 63 8.633 8.052 0.581 1
1 658 . 18 1 1 A 63 63 VAL CA C 63 61.288 64.360 -3.072 1
1 659 . 18 1 1 A 63 63 VAL HA H 63 4.299 3.683 0.616 1
1 660 . 18 1 1 A 63 63 VAL CB C 63 30.964 32.251 -1.287 1
1 670 . 18 1 1 A 63 63 VAL C C 63 175.339 175.384 -0.045 1
1 671 . 18 1 1 A 64 64 GLY N N 64 108.087 109.717 -1.630 1
1 672 . 18 1 1 A 64 64 GLY H H 64 5.406 6.846 -1.440 1
1 673 . 18 1 1 A 64 64 GLY CA C 64 44.979 43.274 1.705 1
1 674 . 18 1 1 A 64 64 GLY HA3 H 64 3.118 3.786 -0.668 1
1 675 . 18 1 1 A 64 64 GLY C C 64 174.125 173.604 0.521 1
1 676 . 18 1 1 A 64 64 GLY HA2 H 64 4.287 3.200 1.087 1
1 677 . 18 1 1 A 65 65 ASN N N 65 118.292 117.428 0.864 1
1 678 . 18 1 1 A 65 65 ASN H H 65 9.260 9.256 0.004 1
1 679 . 18 1 1 A 65 65 ASN CA C 65 54.643 54.547 0.096 1
1 680 . 18 1 1 A 65 65 ASN HA H 65 4.401 4.401 0.000 1
1 681 . 18 1 1 A 65 65 ASN CB C 65 37.695 36.948 0.747 1
1 686 . 18 1 1 A 65 65 ASN C C 65 174.079 174.667 -0.588 1
1 688 . 18 1 1 A 66 66 GLN N N 66 111.325 108.903 2.422 1
1 689 . 18 1 1 A 66 66 GLN H H 66 10.512 8.517 1.995 1
1 690 . 18 1 1 A 66 66 GLN CA C 66 57.009 57.184 -0.175 1
1 691 . 18 1 1 A 66 66 GLN HA H 66 3.713 3.962 -0.249 1
1 692 . 18 1 1 A 66 66 GLN CB C 66 24.986 26.655 -1.669 1
1 699 . 18 1 1 A 66 66 GLN C C 66 173.896 174.182 -0.286 1
1 702 . 18 1 1 A 67 67 GLN N N 67 115.692 116.801 -1.109 1
1 703 . 18 1 1 A 67 67 GLN H H 67 7.492 7.443 0.049 1
1 704 . 18 1 1 A 67 67 GLN CA C 67 54.496 54.447 0.049 1
1 705 . 18 1 1 A 67 67 GLN HA H 67 5.400 5.001 0.399 1
1 706 . 18 1 1 A 67 67 GLN CB C 67 29.896 31.148 -1.252 1
1 713 . 18 1 1 A 67 67 GLN C C 67 175.043 174.114 0.929 1
1 716 . 18 1 1 A 68 68 TYR N N 68 121.249 121.676 -0.427 1
1 717 . 18 1 1 A 68 68 TYR H H 68 9.573 8.819 0.754 1
1 718 . 18 1 1 A 68 68 TYR CA C 68 56.443 56.728 -0.285 1
1 719 . 18 1 1 A 68 68 TYR HA H 68 5.417 5.337 0.080 1
1 720 . 18 1 1 A 68 68 TYR CB C 68 41.249 40.618 0.631 1
1 730 . 18 1 1 A 68 68 TYR C C 68 174.846 174.724 0.122 1
1 732 . 18 1 1 A 69 69 ASN N N 69 122.429 123.782 -1.353 1
1 733 . 18 1 1 A 69 69 ASN H H 69 9.354 9.446 -0.092 1
1 734 . 18 1 1 A 69 69 ASN CA C 69 52.454 52.828 -0.374 1
1 735 . 18 1 1 A 69 69 ASN HA H 69 5.260 4.835 0.425 1
1 736 . 18 1 1 A 69 69 ASN CB C 69 40.922 39.537 1.385 1
1 741 . 18 1 1 A 69 69 ASN C C 69 174.835 174.215 0.620 1
1 743 . 18 1 1 A 70 70 VAL N N 70 131.599 126.124 5.475 1
1 744 . 18 1 1 A 70 70 VAL H H 70 9.157 8.230 0.927 1
1 745 . 18 1 1 A 70 70 VAL CA C 70 60.900 60.772 0.128 1
1 746 . 18 1 1 A 70 70 VAL HA H 70 4.910 5.160 -0.250 1
1 747 . 18 1 1 A 70 70 VAL CB C 70 31.882 33.651 -1.769 1
1 757 . 18 1 1 A 70 70 VAL C C 70 174.368 174.402 -0.034 1
1 758 . 18 1 1 A 71 71 THR N N 71 119.213 121.426 -2.213 1
1 759 . 18 1 1 A 71 71 THR H H 71 8.996 8.843 0.153 1
1 760 . 18 1 1 A 71 71 THR CA C 71 59.796 61.198 -1.402 1
1 761 . 18 1 1 A 71 71 THR HA H 71 5.614 5.074 0.540 1
1 762 . 18 1 1 A 71 71 THR CB C 71 72.339 71.881 0.458 1
1 768 . 18 1 1 A 71 71 THR C C 71 173.260 173.346 -0.086 1
1 769 . 18 1 1 A 72 72 TYR N N 72 121.105 121.432 -0.327 1
1 770 . 18 1 1 A 72 72 TYR H H 72 9.200 8.359 0.841 1
1 771 . 18 1 1 A 72 72 TYR CA C 72 56.112 55.480 0.632 1
1 772 . 18 1 1 A 72 72 TYR HA H 72 5.600 5.574 0.026 1
1 773 . 18 1 1 A 72 72 TYR CB C 72 41.878 41.629 0.249 1
1 783 . 18 1 1 A 72 72 TYR C C 72 173.176 173.237 -0.061 1
1 785 . 18 1 1 A 73 73 VAL N N 73 118.799 119.613 -0.814 1
1 786 . 18 1 1 A 73 73 VAL H H 73 8.214 8.730 -0.516 1
1 787 . 18 1 1 A 73 73 VAL CA C 73 61.111 61.410 -0.299 1
1 788 . 18 1 1 A 73 73 VAL HA H 73 4.514 4.895 -0.381 1
1 789 . 18 1 1 A 73 73 VAL CB C 73 35.729 35.426 0.303 1
1 799 . 18 1 1 A 73 73 VAL C C 73 175.529 175.289 0.240 1
1 800 . 18 1 1 A 74 74 VAL N N 74 121.061 122.976 -1.915 1
1 801 . 18 1 1 A 74 74 VAL H H 74 8.947 8.899 0.048 1
1 802 . 18 1 1 A 74 74 VAL CA C 74 59.858 59.497 0.361 1
1 803 . 18 1 1 A 74 74 VAL HA H 74 4.785 4.883 -0.098 1
1 804 . 18 1 1 A 74 74 VAL CB C 74 32.795 34.005 -1.210 1
1 814 . 18 1 1 A 74 74 VAL C C 74 176.022 175.741 0.281 1
1 815 . 18 1 1 A 75 75 LYS N N 75 120.273 122.237 -1.964 1
1 816 . 18 1 1 A 75 75 LYS H H 75 9.404 9.011 0.393 1
1 817 . 18 1 1 A 75 75 LYS CA C 75 55.705 56.765 -1.060 1
1 818 . 18 1 1 A 75 75 LYS HA H 75 4.653 4.520 0.133 1
1 819 . 18 1 1 A 75 75 LYS CB C 75 34.767 34.003 0.764 1
1 827 . 18 1 1 A 75 75 LYS C C 75 175.025 176.705 -1.680 1
1 832 . 18 1 1 A 76 76 GLU N N 76 117.540 119.979 -2.439 1
1 833 . 18 1 1 A 76 76 GLU H H 76 7.224 7.890 -0.666 1
1 834 . 18 1 1 A 76 76 GLU CA C 76 54.893 54.728 0.165 1
1 835 . 18 1 1 A 76 76 GLU HA H 76 4.747 4.916 -0.169 1
1 836 . 18 1 1 A 76 76 GLU CB C 76 33.199 33.180 0.019 1
1 840 . 18 1 1 A 76 76 GLU C C 76 175.664 175.922 -0.258 1
1 843 . 18 1 1 A 77 77 ARG N N 77 125.564 121.526 4.038 1
1 844 . 18 1 1 A 77 77 ARG H H 77 8.906 8.536 0.370 1
1 845 . 18 1 1 A 77 77 ARG CA C 77 56.610 54.413 2.197 1
1 846 . 18 1 1 A 77 77 ARG HA H 77 4.234 5.076 -0.842 1
1 847 . 18 1 1 A 77 77 ARG CB C 77 31.036 32.603 -1.567 1
1 855 . 18 1 1 A 77 77 ARG C C 77 174.779 175.212 -0.433 1
1 859 . 18 1 1 A 78 78 GLY N N 78 108.773 107.011 1.762 1
1 860 . 18 1 1 A 78 78 GLY H H 78 8.928 8.078 0.850 1
1 861 . 18 1 1 A 78 78 GLY CA C 78 44.418 44.056 0.362 1
1 862 . 18 1 1 A 78 78 GLY HA3 H 78 3.770 4.145 -0.375 1
1 863 . 18 1 1 A 78 78 GLY C C 78 171.452 172.283 -0.831 1
1 864 . 18 1 1 A 78 78 GLY HA2 H 78 4.467 4.106 0.361 1
1 865 . 18 1 1 A 79 79 ASP N N 79 120.109 121.042 -0.933 1
1 866 . 18 1 1 A 79 79 ASP H H 79 8.070 8.363 -0.293 1
1 867 . 18 1 1 A 79 79 ASP CA C 79 54.204 53.925 0.279 1
1 868 . 18 1 1 A 79 79 ASP HA H 79 5.344 5.100 0.244 1
1 869 . 18 1 1 A 79 79 ASP CB C 79 42.148 41.629 0.519 1
1 871 . 18 1 1 A 79 79 ASP C C 79 175.474 175.447 0.027 1
1 873 . 18 1 1 A 80 80 TYR N N 80 121.969 123.743 -1.774 1
1 874 . 18 1 1 A 80 80 TYR H H 80 9.412 9.425 -0.013 1
1 875 . 18 1 1 A 80 80 TYR CA C 80 56.872 57.346 -0.474 1
1 876 . 18 1 1 A 80 80 TYR HA H 80 4.821 5.109 -0.288 1
1 877 . 18 1 1 A 80 80 TYR CB C 80 41.557 40.951 0.606 1
1 887 . 18 1 1 A 80 80 TYR C C 80 175.552 175.434 0.118 1
1 889 . 18 1 1 A 81 81 VAL N N 81 121.669 119.758 1.911 1
1 890 . 18 1 1 A 81 81 VAL H H 81 8.688 8.915 -0.227 1
1 891 . 18 1 1 A 81 81 VAL CA C 81 61.217 61.470 -0.253 1
1 892 . 18 1 1 A 81 81 VAL HA H 81 4.606 4.855 -0.249 1
1 893 . 18 1 1 A 81 81 VAL CB C 81 33.990 34.440 -0.450 1
1 903 . 18 1 1 A 81 81 VAL C C 81 173.568 174.296 -0.728 1
1 904 . 18 1 1 A 82 82 LEU N N 82 129.806 130.581 -0.775 1
1 905 . 18 1 1 A 82 82 LEU H H 82 8.873 8.574 0.299 1
1 906 . 18 1 1 A 82 82 LEU CA C 82 53.321 53.969 -0.648 1
1 907 . 18 1 1 A 82 82 LEU HA H 82 5.150 4.918 0.232 1
1 908 . 18 1 1 A 82 82 LEU CB C 82 44.594 44.253 0.341 1
1 920 . 18 1 1 A 82 82 LEU C C 82 174.427 174.879 -0.452 1
1 922 . 18 1 1 A 83 83 ALA N N 83 128.482 129.116 -0.634 1
1 923 . 18 1 1 A 83 83 ALA H H 83 9.294 9.032 0.262 1
1 924 . 18 1 1 A 83 83 ALA CA C 83 50.133 50.555 -0.422 1
1 925 . 18 1 1 A 83 83 ALA HA H 83 5.081 5.394 -0.313 1
1 926 . 18 1 1 A 83 83 ALA CB C 83 21.500 21.029 0.471 1
1 930 . 18 1 1 A 83 83 ALA C C 83 174.991 176.051 -1.060 1
1 931 . 18 1 1 A 84 84 VAL N N 84 121.691 123.678 -1.987 1
1 932 . 18 1 1 A 84 84 VAL H H 84 9.222 8.985 0.237 1
1 933 . 18 1 1 A 84 84 VAL CA C 84 61.324 61.196 0.128 1
1 934 . 18 1 1 A 84 84 VAL HA H 84 4.785 4.787 -0.002 1
1 935 . 18 1 1 A 84 84 VAL CB C 84 34.116 34.486 -0.370 1
1 945 . 18 1 1 A 84 84 VAL C C 84 174.156 174.678 -0.522 1
1 946 . 18 1 1 A 85 85 LYS N N 85 124.020 126.494 -2.474 1
1 947 . 18 1 1 A 85 85 LYS H H 85 9.193 8.428 0.765 1
1 948 . 18 1 1 A 85 85 LYS CA C 85 54.222 54.563 -0.341 1
1 949 . 18 1 1 A 85 85 LYS HA H 85 4.958 5.173 -0.215 1
1 950 . 18 1 1 A 85 85 LYS CB C 85 34.814 35.282 -0.468 1
1 958 . 18 1 1 A 85 85 LYS C C 85 173.704 175.097 -1.393 1
1 963 . 18 1 1 A 86 86 TRP N N 86 123.429 124.302 -0.873 1
1 964 . 18 1 1 A 86 86 TRP H H 86 8.623 9.124 -0.501 1
1 965 . 18 1 1 A 86 86 TRP CA C 86 53.803 56.438 -2.635 1
1 966 . 18 1 1 A 86 86 TRP HA H 86 5.583 4.939 0.644 1
1 967 . 18 1 1 A 86 86 TRP CB C 86 32.084 31.497 0.587 1
1 981 . 18 1 1 A 86 86 TRP C C 86 176.916 175.776 1.140 1
1 983 . 18 1 1 A 87 87 GLY N N 87 116.722 114.926 1.796 1
1 984 . 18 1 1 A 87 87 GLY H H 87 8.782 8.895 -0.113 1
1 985 . 18 1 1 A 87 87 GLY CA C 87 46.432 46.762 -0.330 1
1 986 . 18 1 1 A 87 87 GLY HA3 H 87 3.152 3.620 -0.468 1
1 987 . 18 1 1 A 87 87 GLY C C 87 173.838 174.075 -0.237 1
1 988 . 18 1 1 A 87 87 GLY HA2 H 87 3.732 3.417 0.315 1
1 989 . 18 1 1 A 88 88 GLU N N 88 122.405 110.500 11.905 1
1 990 . 18 1 1 A 88 88 GLU H H 88 8.592 8.436 0.156 1
1 991 . 18 1 1 A 88 88 GLU CA C 88 56.004 57.626 -1.622 1
1 992 . 18 1 1 A 88 88 GLU HA H 88 4.057 3.833 0.224 1
1 993 . 18 1 1 A 88 88 GLU CB C 88 29.764 27.204 2.560 1
1 997 . 18 1 1 A 88 88 GLU C C 88 176.465 174.787 1.678 1
1 1000 . 18 1 1 A 89 89 GLU N N 89 117.358 117.272 0.086 1
1 1001 . 18 1 1 A 89 89 GLU H H 89 7.226 7.572 -0.346 1
1 1002 . 18 1 1 A 89 89 GLU CA C 89 54.921 54.850 0.071 1
1 1003 . 18 1 1 A 89 89 GLU HA H 89 4.580 5.107 -0.527 1
1 1004 . 18 1 1 A 89 89 GLU CB C 89 33.160 34.240 -1.080 1
1 1008 . 18 1 1 A 89 89 GLU C C 89 175.674 174.703 0.971 1
1 1011 . 18 1 1 A 90 90 HIS N N 90 122.210 116.799 5.411 1
1 1012 . 18 1 1 A 90 90 HIS H H 90 8.603 8.856 -0.253 1
1 1013 . 18 1 1 A 90 90 HIS CA C 90 58.321 54.409 3.912 1
1 1014 . 18 1 1 A 90 90 HIS HA H 90 4.343 5.190 -0.847 1
1 1015 . 18 1 1 A 90 90 HIS CB C 90 32.786 31.883 0.903 1
1 1021 . 18 1 1 A 90 90 HIS C C 90 177.001 175.335 1.666 1
1 1023 . 18 1 1 A 91 91 ILE N N 91 117.760 122.475 -4.715 1
1 1024 . 18 1 1 A 91 91 ILE H H 91 8.289 8.217 0.072 1
1 1025 . 18 1 1 A 91 91 ILE CA C 91 61.019 60.257 0.762 1
1 1026 . 18 1 1 A 91 91 ILE HA H 91 4.482 4.257 0.225 1
1 1027 . 18 1 1 A 91 91 ILE CB C 91 35.655 37.885 -2.230 1
1 1039 . 18 1 1 A 91 91 ILE C C 91 173.231 175.465 -2.234 1
1 1041 . 18 1 1 A 92 92 PRO CA C 92 65.378 63.563 1.815 1
1 1042 . 18 1 1 A 92 92 PRO HA H 92 4.207 4.333 -0.126 1
1 1043 . 18 1 1 A 92 92 PRO CB C 92 31.301 30.974 0.327 1
1 1049 . 18 1 1 A 92 92 PRO C C 92 177.559 177.440 0.119 1
1 1053 . 18 1 1 A 93 93 GLY N N 93 115.174 113.427 1.747 1
1 1054 . 18 1 1 A 93 93 GLY H H 93 8.291 8.745 -0.454 1
1 1055 . 18 1 1 A 93 93 GLY CA C 93 44.729 44.844 -0.115 1
1 1056 . 18 1 1 A 93 93 GLY HA3 H 93 3.122 3.677 -0.555 1
1 1057 . 18 1 1 A 93 93 GLY C C 93 171.695 173.857 -2.162 1
1 1058 . 18 1 1 A 93 93 GLY HA2 H 93 4.116 3.563 0.553 1
1 1059 . 18 1 1 A 94 94 SER N N 94 112.948 117.480 -4.532 1
1 1060 . 18 1 1 A 94 94 SER H H 94 7.612 7.594 0.018 1
1 1061 . 18 1 1 A 94 94 SER CA C 94 54.585 55.514 -0.929 1
1 1062 . 18 1 1 A 94 94 SER HA H 94 4.002 4.696 -0.694 1
1 1063 . 18 1 1 A 94 94 SER CB C 94 62.348 64.260 -1.912 1
1 1065 . 18 1 1 A 94 94 SER C C 94 174.321 173.164 1.157 1
1 1067 . 18 1 1 A 95 95 PRO CA C 95 62.338 62.846 -0.508 1
1 1068 . 18 1 1 A 95 95 PRO HA H 95 5.296 5.038 0.258 1
1 1069 . 18 1 1 A 95 95 PRO CB C 95 33.730 32.636 1.094 1
1 1075 . 18 1 1 A 95 95 PRO C C 95 175.728 177.004 -1.276 1
1 1079 . 18 1 1 A 96 96 PHE N N 96 124.415 121.274 3.141 1
1 1080 . 18 1 1 A 96 96 PHE H H 96 9.643 8.579 1.064 1
1 1081 . 18 1 1 A 96 96 PHE CA C 96 57.405 57.726 -0.321 1
1 1082 . 18 1 1 A 96 96 PHE HA H 96 4.474 4.866 -0.392 1
1 1083 . 18 1 1 A 96 96 PHE CB C 96 40.160 39.996 0.164 1
1 1095 . 18 1 1 A 96 96 PHE C C 96 175.736 175.383 0.353 1
1 1097 . 18 1 1 A 97 97 HIS N N 97 121.364 121.720 -0.356 1
1 1098 . 18 1 1 A 97 97 HIS H H 97 8.898 8.951 -0.053 1
1 1099 . 18 1 1 A 97 97 HIS CA C 97 55.214 54.456 0.758 1
1 1100 . 18 1 1 A 97 97 HIS HA H 97 5.124 5.236 -0.112 1
1 1101 . 18 1 1 A 97 97 HIS CB C 97 29.981 31.373 -1.392 1
1 1107 . 18 1 1 A 97 97 HIS C C 97 173.895 173.418 0.477 1
1 1109 . 18 1 1 A 98 98 VAL N N 98 127.912 129.061 -1.149 1
1 1110 . 18 1 1 A 98 98 VAL H H 98 8.582 8.844 -0.262 1
1 1111 . 18 1 1 A 98 98 VAL CA C 98 61.467 61.325 0.142 1
1 1112 . 18 1 1 A 98 98 VAL HA H 98 4.096 4.657 -0.561 1
1 1113 . 18 1 1 A 98 98 VAL CB C 98 35.455 32.948 2.507 1
1 1123 . 18 1 1 A 98 98 VAL C C 98 174.874 175.052 -0.178 1
1 1124 . 18 1 1 A 99 99 THR N N 99 123.090 122.673 0.417 1
1 1125 . 18 1 1 A 99 99 THR H H 99 8.117 8.692 -0.575 1
1 1126 . 18 1 1 A 99 99 THR CA C 99 62.031 61.766 0.265 1
1 1127 . 18 1 1 A 99 99 THR HA H 99 4.852 4.913 -0.061 1
1 1128 . 18 1 1 A 99 99 THR CB C 99 70.661 70.784 -0.123 1
1 1134 . 18 1 1 A 99 99 THR C C 99 173.264 173.523 -0.259 1
1 1135 . 18 1 1 A 100 100 VAL N N 100 129.827 124.605 5.222 1
1 1136 . 18 1 1 A 100 100 VAL H H 100 8.812 8.689 0.123 1
1 1137 . 18 1 1 A 100 100 VAL CA C 100 58.577 58.785 -0.208 1
1 1138 . 18 1 1 A 100 100 VAL HA H 100 5.053 4.729 0.324 1
1 1139 . 18 1 1 A 100 100 VAL CB C 100 33.365 35.559 -2.194 1
1 1149 . 18 1 1 A 100 100 VAL C C 100 174.927 173.942 0.985 1
1 1 . 19 1 1 A 6 6 SER CA C 6 58.666 60.850 -2.184 1
1 2 . 19 1 1 A 6 6 SER HA H 6 4.514 4.105 0.409 1
1 3 . 19 1 1 A 6 6 SER CB C 6 63.933 63.179 0.754 1
1 5 . 19 1 1 A 6 6 SER C C 6 175.074 174.406 0.668 1
1 7 . 19 1 1 A 7 7 GLY N N 7 110.792 110.731 0.061 1
1 8 . 19 1 1 A 7 7 GLY H H 7 8.450 8.092 0.358 1
1 9 . 19 1 1 A 7 7 GLY CA C 7 45.406 46.815 -1.409 1
1 10 . 19 1 1 A 7 7 GLY HA3 H 7 4.052 3.853 0.199 1
1 11 . 19 1 1 A 7 7 GLY C C 7 174.270 174.859 -0.589 1
1 12 . 19 1 1 A 7 7 GLY HA2 H 7 4.052 3.829 0.223 1
1 13 . 19 1 1 A 8 8 SER N N 8 115.558 117.979 -2.421 1
1 14 . 19 1 1 A 8 8 SER H H 8 8.274 8.658 -0.384 1
1 15 . 19 1 1 A 8 8 SER CA C 8 58.332 58.791 -0.459 1
1 16 . 19 1 1 A 8 8 SER HA H 8 4.557 4.150 0.407 1
1 17 . 19 1 1 A 8 8 SER CB C 8 63.930 61.467 2.463 1
1 19 . 19 1 1 A 8 8 SER C C 8 174.064 172.983 1.081 1
1 21 . 19 1 1 A 9 9 SER N N 9 116.801 113.076 3.725 1
1 22 . 19 1 1 A 9 9 SER H H 9 8.227 7.830 0.397 1
1 23 . 19 1 1 A 9 9 SER CA C 9 58.075 56.094 1.981 1
1 24 . 19 1 1 A 9 9 SER HA H 9 5.001 5.290 -0.289 1
1 25 . 19 1 1 A 9 9 SER CB C 9 64.491 65.341 -0.850 1
1 27 . 19 1 1 A 9 9 SER C C 9 174.318 172.326 1.992 1
1 29 . 19 1 1 A 10 10 ASP N N 10 122.324 126.138 -3.814 1
1 30 . 19 1 1 A 10 10 ASP H H 10 8.262 9.017 -0.755 1
1 31 . 19 1 1 A 10 10 ASP CA C 10 53.833 53.377 0.456 1
1 32 . 19 1 1 A 10 10 ASP HA H 10 4.892 5.126 -0.234 1
1 33 . 19 1 1 A 10 10 ASP CB C 10 41.497 42.779 -1.282 1
1 35 . 19 1 1 A 10 10 ASP C C 10 176.306 176.129 0.177 1
1 37 . 19 1 1 A 11 11 ALA N N 11 126.255 129.220 -2.965 1
1 38 . 19 1 1 A 11 11 ALA H H 11 9.091 9.001 0.090 1
1 39 . 19 1 1 A 11 11 ALA CA C 11 54.713 54.640 0.073 1
1 40 . 19 1 1 A 11 11 ALA HA H 11 4.056 4.202 -0.146 1
1 41 . 19 1 1 A 11 11 ALA CB C 11 20.177 19.208 0.969 1
1 45 . 19 1 1 A 11 11 ALA C C 11 177.950 179.291 -1.341 1
1 46 . 19 1 1 A 12 12 SER N N 12 110.658 113.493 -2.835 1
1 47 . 19 1 1 A 12 12 SER H H 12 8.224 8.115 0.109 1
1 48 . 19 1 1 A 12 12 SER CA C 12 60.857 61.071 -0.214 1
1 49 . 19 1 1 A 12 12 SER HA H 12 4.240 4.140 0.100 1
1 50 . 19 1 1 A 12 12 SER CB C 12 62.964 62.918 0.046 1
1 52 . 19 1 1 A 12 12 SER C C 12 175.312 176.317 -1.005 1
1 54 . 19 1 1 A 13 13 LYS N N 13 119.063 118.038 1.025 1
1 55 . 19 1 1 A 13 13 LYS H H 13 7.349 7.504 -0.155 1
1 56 . 19 1 1 A 13 13 LYS CA C 13 54.948 57.797 -2.849 1
1 57 . 19 1 1 A 13 13 LYS HA H 13 4.293 4.343 -0.050 1
1 58 . 19 1 1 A 13 13 LYS CB C 13 33.037 33.002 0.035 1
1 66 . 19 1 1 A 13 13 LYS C C 13 177.263 177.457 -0.194 1
1 71 . 19 1 1 A 14 14 VAL N N 14 124.317 120.324 3.993 1
1 72 . 19 1 1 A 14 14 VAL H H 14 7.500 7.476 0.024 1
1 73 . 19 1 1 A 14 14 VAL CA C 14 63.797 63.132 0.665 1
1 74 . 19 1 1 A 14 14 VAL HA H 14 3.870 3.754 0.116 1
1 75 . 19 1 1 A 14 14 VAL CB C 14 31.996 31.359 0.637 1
1 85 . 19 1 1 A 14 14 VAL C C 14 175.873 175.449 0.424 1
1 86 . 19 1 1 A 15 15 THR N N 15 117.704 118.725 -1.021 1
1 87 . 19 1 1 A 15 15 THR H H 15 8.197 8.490 -0.293 1
1 88 . 19 1 1 A 15 15 THR CA C 15 59.805 59.552 0.253 1
1 89 . 19 1 1 A 15 15 THR HA H 15 4.911 5.305 -0.394 1
1 90 . 19 1 1 A 15 15 THR CB C 15 71.373 71.869 -0.496 1
1 96 . 19 1 1 A 15 15 THR C C 15 172.695 173.934 -1.239 1
1 97 . 19 1 1 A 16 16 SER N N 16 113.256 118.288 -5.032 1
1 98 . 19 1 1 A 16 16 SER H H 16 8.442 9.084 -0.642 1
1 99 . 19 1 1 A 16 16 SER CA C 16 57.155 56.107 1.048 1
1 100 . 19 1 1 A 16 16 SER HA H 16 5.564 5.499 0.065 1
1 101 . 19 1 1 A 16 16 SER CB C 16 66.124 66.081 0.043 1
1 103 . 19 1 1 A 16 16 SER C C 16 173.455 173.685 -0.230 1
1 105 . 19 1 1 A 17 17 LYS N N 17 117.543 120.333 -2.790 1
1 106 . 19 1 1 A 17 17 LYS H H 17 8.870 8.775 0.095 1
1 107 . 19 1 1 A 17 17 LYS CA C 17 56.063 54.333 1.730 1
1 108 . 19 1 1 A 17 17 LYS HA H 17 4.673 5.198 -0.525 1
1 109 . 19 1 1 A 17 17 LYS CB C 17 35.602 36.526 -0.924 1
1 117 . 19 1 1 A 17 17 LYS C C 17 174.625 175.031 -0.406 1
1 122 . 19 1 1 A 18 18 GLY N N 18 110.702 108.079 2.623 1
1 123 . 19 1 1 A 18 18 GLY H H 18 8.746 8.543 0.203 1
1 124 . 19 1 1 A 18 18 GLY CA C 18 44.501 44.867 -0.366 1
1 125 . 19 1 1 A 18 18 GLY HA3 H 18 3.998 4.329 -0.331 1
1 126 . 19 1 1 A 18 18 GLY C C 18 175.460 174.808 0.652 1
1 127 . 19 1 1 A 18 18 GLY HA2 H 18 4.947 4.284 0.663 1
1 128 . 19 1 1 A 19 19 ALA CA C 19 55.387 55.475 -0.088 1
1 129 . 19 1 1 A 19 19 ALA HA H 19 4.229 4.090 0.139 1
1 130 . 19 1 1 A 19 19 ALA CB C 19 18.689 18.410 0.279 1
1 134 . 19 1 1 A 19 19 ALA C C 19 179.606 179.679 -0.073 1
1 135 . 19 1 1 A 20 20 GLY N N 20 101.587 107.383 -5.796 1
1 136 . 19 1 1 A 20 20 GLY H H 20 8.466 8.482 -0.016 1
1 137 . 19 1 1 A 20 20 GLY CA C 20 46.078 47.273 -1.195 1
1 138 . 19 1 1 A 20 20 GLY HA3 H 20 3.596 3.982 -0.386 1
1 139 . 19 1 1 A 20 20 GLY C C 20 173.214 176.530 -3.316 1
1 140 . 19 1 1 A 20 20 GLY HA2 H 20 4.689 3.934 0.755 1
1 141 . 19 1 1 A 21 21 LEU N N 21 115.987 122.967 -6.980 1
1 142 . 19 1 1 A 21 21 LEU H H 21 6.928 8.062 -1.134 1
1 143 . 19 1 1 A 21 21 LEU CA C 21 55.567 57.390 -1.823 1
1 144 . 19 1 1 A 21 21 LEU HA H 21 3.404 3.819 -0.415 1
1 145 . 19 1 1 A 21 21 LEU CB C 21 41.702 41.087 0.615 1
1 157 . 19 1 1 A 21 21 LEU C C 21 175.989 179.633 -3.644 1
1 159 . 19 1 1 A 22 22 SER N N 22 106.483 113.433 -6.950 1
1 160 . 19 1 1 A 22 22 SER H H 22 7.808 8.022 -0.214 1
1 161 . 19 1 1 A 22 22 SER CA C 22 58.956 61.005 -2.049 1
1 162 . 19 1 1 A 22 22 SER HA H 22 4.901 4.441 0.460 1
1 163 . 19 1 1 A 22 22 SER CB C 22 66.238 63.575 2.663 1
1 165 . 19 1 1 A 22 22 SER C C 22 174.051 174.022 0.029 1
1 167 . 19 1 1 A 23 23 LYS N N 23 124.757 115.166 9.591 1
1 168 . 19 1 1 A 23 23 LYS H H 23 8.399 8.135 0.264 1
1 169 . 19 1 1 A 23 23 LYS CA C 23 55.676 54.754 0.922 1
1 170 . 19 1 1 A 23 23 LYS HA H 23 4.973 4.873 0.100 1
1 171 . 19 1 1 A 23 23 LYS CB C 23 36.338 36.229 0.109 1
1 179 . 19 1 1 A 23 23 LYS C C 23 173.136 174.092 -0.956 1
1 184 . 19 1 1 A 24 24 ALA N N 24 123.565 121.658 1.907 1
1 185 . 19 1 1 A 24 24 ALA H H 24 7.541 8.238 -0.697 1
1 186 . 19 1 1 A 24 24 ALA CA C 24 51.148 50.794 0.354 1
1 187 . 19 1 1 A 24 24 ALA HA H 24 4.256 5.279 -1.023 1
1 188 . 19 1 1 A 24 24 ALA CB C 24 22.019 22.985 -0.966 1
1 192 . 19 1 1 A 24 24 ALA C C 24 173.515 175.890 -2.375 1
1 193 . 19 1 1 A 25 25 PHE N N 25 114.269 119.655 -5.386 1
1 194 . 19 1 1 A 25 25 PHE H H 25 7.858 9.339 -1.481 1
1 195 . 19 1 1 A 25 25 PHE CA C 25 55.809 56.116 -0.307 1
1 196 . 19 1 1 A 25 25 PHE HA H 25 5.191 5.096 0.095 1
1 197 . 19 1 1 A 25 25 PHE CB C 25 41.943 41.830 0.113 1
1 209 . 19 1 1 A 25 25 PHE C C 25 177.046 175.898 1.148 1
1 211 . 19 1 1 A 26 26 VAL N N 26 123.270 122.712 0.558 1
1 212 . 19 1 1 A 26 26 VAL H H 26 9.338 8.655 0.683 1
1 213 . 19 1 1 A 26 26 VAL CA C 26 65.054 65.253 -0.199 1
1 214 . 19 1 1 A 26 26 VAL HA H 26 3.441 3.935 -0.494 1
1 215 . 19 1 1 A 26 26 VAL CB C 26 31.757 31.422 0.335 1
1 225 . 19 1 1 A 26 26 VAL C C 26 178.201 177.312 0.889 1
1 226 . 19 1 1 A 27 27 GLY N N 27 112.668 114.664 -1.996 1
1 227 . 19 1 1 A 27 27 GLY H H 27 8.862 8.630 0.232 1
1 228 . 19 1 1 A 27 27 GLY CA C 27 45.857 45.493 0.364 1
1 229 . 19 1 1 A 27 27 GLY HA3 H 27 4.229 4.024 0.205 1
1 230 . 19 1 1 A 27 27 GLY C C 27 173.411 174.270 -0.859 1
1 231 . 19 1 1 A 27 27 GLY HA2 H 27 3.631 4.019 -0.388 1
1 232 . 19 1 1 A 28 28 GLN N N 28 118.568 120.964 -2.396 1
1 233 . 19 1 1 A 28 28 GLN H H 28 7.755 8.103 -0.348 1
1 234 . 19 1 1 A 28 28 GLN CA C 28 53.825 55.948 -2.123 1
1 235 . 19 1 1 A 28 28 GLN HA H 28 4.690 4.268 0.422 1
1 236 . 19 1 1 A 28 28 GLN CB C 28 30.975 29.014 1.961 1
1 243 . 19 1 1 A 28 28 GLN C C 28 175.517 175.479 0.038 1
1 246 . 19 1 1 A 29 29 LYS N N 29 123.598 127.171 -3.573 1
1 247 . 19 1 1 A 29 29 LYS H H 29 8.839 8.404 0.435 1
1 248 . 19 1 1 A 29 29 LYS CA C 29 57.587 57.098 0.489 1
1 249 . 19 1 1 A 29 29 LYS HA H 29 4.158 4.185 -0.027 1
1 250 . 19 1 1 A 29 29 LYS CB C 29 32.381 32.663 -0.282 1
1 258 . 19 1 1 A 29 29 LYS C C 29 176.190 175.799 0.391 1
1 263 . 19 1 1 A 30 30 SER N N 30 124.030 124.631 -0.601 1
1 264 . 19 1 1 A 30 30 SER H H 30 8.694 8.028 0.666 1
1 265 . 19 1 1 A 30 30 SER CA C 30 57.560 58.190 -0.630 1
1 266 . 19 1 1 A 30 30 SER HA H 30 4.758 5.049 -0.291 1
1 267 . 19 1 1 A 30 30 SER CB C 30 64.143 64.334 -0.191 1
1 269 . 19 1 1 A 30 30 SER C C 30 173.413 173.408 0.005 1
1 271 . 19 1 1 A 31 31 SER N N 31 116.828 118.760 -1.932 1
1 272 . 19 1 1 A 31 31 SER H H 31 8.894 8.705 0.189 1
1 273 . 19 1 1 A 31 31 SER CA C 31 57.132 55.686 1.446 1
1 274 . 19 1 1 A 31 31 SER HA H 31 6.181 5.162 1.019 1
1 275 . 19 1 1 A 31 31 SER CB C 31 67.745 66.316 1.429 1
1 277 . 19 1 1 A 31 31 SER C C 31 174.171 173.563 0.608 1
1 279 . 19 1 1 A 32 32 PHE N N 32 117.724 117.366 0.358 1
1 280 . 19 1 1 A 32 32 PHE H H 32 8.853 8.342 0.511 1
1 281 . 19 1 1 A 32 32 PHE CA C 32 57.190 55.750 1.440 1
1 282 . 19 1 1 A 32 32 PHE HA H 32 5.016 5.356 -0.340 1
1 283 . 19 1 1 A 32 32 PHE CB C 32 40.712 42.264 -1.552 1
1 295 . 19 1 1 A 32 32 PHE C C 32 170.765 172.301 -1.536 1
1 297 . 19 1 1 A 33 33 LEU N N 33 121.533 124.531 -2.998 1
1 298 . 19 1 1 A 33 33 LEU H H 33 9.223 8.674 0.549 1
1 299 . 19 1 1 A 33 33 LEU CA C 33 53.636 53.703 -0.067 1
1 300 . 19 1 1 A 33 33 LEU HA H 33 5.531 5.057 0.474 1
1 301 . 19 1 1 A 33 33 LEU CB C 33 46.278 44.852 1.426 1
1 313 . 19 1 1 A 33 33 LEU C C 33 176.559 174.552 2.007 1
1 315 . 19 1 1 A 34 34 VAL N N 34 123.140 126.342 -3.202 1
1 316 . 19 1 1 A 34 34 VAL H H 34 9.257 8.922 0.335 1
1 317 . 19 1 1 A 34 34 VAL CA C 34 61.182 61.378 -0.196 1
1 318 . 19 1 1 A 34 34 VAL HA H 34 4.785 4.727 0.058 1
1 319 . 19 1 1 A 34 34 VAL CB C 34 34.589 34.558 0.031 1
1 329 . 19 1 1 A 34 34 VAL C C 34 174.370 174.082 0.288 1
1 330 . 19 1 1 A 35 35 ASP N N 35 126.353 127.892 -1.539 1
1 331 . 19 1 1 A 35 35 ASP H H 35 9.312 8.871 0.441 1
1 332 . 19 1 1 A 35 35 ASP CA C 35 53.298 53.731 -0.433 1
1 333 . 19 1 1 A 35 35 ASP HA H 35 5.229 4.860 0.369 1
1 334 . 19 1 1 A 35 35 ASP CB C 35 41.538 41.046 0.492 1
1 336 . 19 1 1 A 35 35 ASP C C 35 176.980 176.568 0.412 1
1 338 . 19 1 1 A 36 36 CYS N N 36 125.342 123.706 1.636 1
1 339 . 19 1 1 A 36 36 CYS H H 36 9.275 8.418 0.857 1
1 340 . 19 1 1 A 36 36 CYS CA C 36 57.367 57.633 -0.266 1
1 341 . 19 1 1 A 36 36 CYS HA H 36 4.374 4.644 -0.270 1
1 342 . 19 1 1 A 36 36 CYS CB C 36 28.369 27.138 1.231 1
1 344 . 19 1 1 A 36 36 CYS C C 36 177.015 175.904 1.111 1
1 346 . 19 1 1 A 37 37 SER N N 37 119.973 117.232 2.741 1
1 347 . 19 1 1 A 37 37 SER H H 37 9.039 8.228 0.811 1
1 348 . 19 1 1 A 37 37 SER CA C 37 62.787 61.580 1.207 1
1 349 . 19 1 1 A 37 37 SER HA H 37 3.932 4.184 -0.252 1
1 350 . 19 1 1 A 37 37 SER CB C 37 62.982 62.816 0.166 1
1 352 . 19 1 1 A 37 37 SER C C 37 176.290 176.379 -0.089 1
1 354 . 19 1 1 A 38 38 LYS N N 38 120.815 119.497 1.318 1
1 355 . 19 1 1 A 38 38 LYS H H 38 8.676 8.182 0.494 1
1 356 . 19 1 1 A 38 38 LYS CA C 38 55.123 56.115 -0.992 1
1 357 . 19 1 1 A 38 38 LYS HA H 38 4.730 4.496 0.234 1
1 358 . 19 1 1 A 38 38 LYS CB C 38 32.250 32.539 -0.289 1
1 366 . 19 1 1 A 38 38 LYS C C 38 176.385 177.035 -0.650 1
1 371 . 19 1 1 A 39 39 ALA N N 39 121.594 121.428 0.166 1
1 372 . 19 1 1 A 39 39 ALA H H 39 7.322 7.725 -0.403 1
1 373 . 19 1 1 A 39 39 ALA CA C 39 52.127 53.722 -1.595 1
1 374 . 19 1 1 A 39 39 ALA HA H 39 4.436 4.294 0.142 1
1 375 . 19 1 1 A 39 39 ALA CB C 39 21.347 19.890 1.457 1
1 379 . 19 1 1 A 39 39 ALA C C 39 177.453 177.513 -0.060 1
1 380 . 19 1 1 A 40 40 GLY N N 40 111.873 102.392 9.481 1
1 381 . 19 1 1 A 40 40 GLY H H 40 8.755 7.126 1.629 1
1 382 . 19 1 1 A 40 40 GLY CA C 40 45.619 45.666 -0.047 1
1 383 . 19 1 1 A 40 40 GLY HA3 H 40 4.329 4.319 0.010 1
1 384 . 19 1 1 A 40 40 GLY C C 40 173.801 172.515 1.286 1
1 385 . 19 1 1 A 40 40 GLY HA2 H 40 3.754 4.202 -0.448 1
1 386 . 19 1 1 A 41 41 SER N N 41 117.149 117.878 -0.729 1
1 387 . 19 1 1 A 41 41 SER H H 41 8.524 8.615 -0.091 1
1 388 . 19 1 1 A 41 41 SER CA C 41 56.849 57.091 -0.242 1
1 389 . 19 1 1 A 41 41 SER HA H 41 5.010 5.104 -0.094 1
1 390 . 19 1 1 A 41 41 SER CB C 41 63.917 62.223 1.694 1
1 392 . 19 1 1 A 41 41 SER C C 41 172.603 173.191 -0.588 1
1 394 . 19 1 1 A 42 42 ASN N N 42 125.590 120.800 4.790 1
1 395 . 19 1 1 A 42 42 ASN H H 42 7.155 8.334 -1.179 1
1 396 . 19 1 1 A 42 42 ASN CA C 42 50.805 51.176 -0.371 1
1 397 . 19 1 1 A 42 42 ASN HA H 42 3.256 5.150 -1.894 1
1 398 . 19 1 1 A 42 42 ASN CB C 42 39.354 41.644 -2.290 1
1 403 . 19 1 1 A 42 42 ASN C C 42 170.908 173.657 -2.749 1
1 405 . 19 1 1 A 43 43 MET N N 43 115.129 119.172 -4.043 1
1 406 . 19 1 1 A 43 43 MET H H 43 8.366 8.117 0.249 1
1 407 . 19 1 1 A 43 43 MET CA C 43 53.424 53.405 0.019 1
1 408 . 19 1 1 A 43 43 MET HA H 43 4.102 4.962 -0.860 1
1 409 . 19 1 1 A 43 43 MET CB C 43 35.572 34.155 1.417 1
1 417 . 19 1 1 A 43 43 MET C C 43 173.140 174.441 -1.301 1
1 420 . 19 1 1 A 44 44 LEU N N 44 128.038 125.515 2.523 1
1 421 . 19 1 1 A 44 44 LEU H H 44 8.300 8.574 -0.274 1
1 422 . 19 1 1 A 44 44 LEU CA C 44 53.806 53.597 0.209 1
1 423 . 19 1 1 A 44 44 LEU HA H 44 5.331 5.122 0.209 1
1 424 . 19 1 1 A 44 44 LEU CB C 44 43.598 43.785 -0.187 1
1 436 . 19 1 1 A 44 44 LEU C C 44 175.236 175.961 -0.725 1
1 438 . 19 1 1 A 45 45 LEU N N 45 126.999 122.127 4.872 1
1 439 . 19 1 1 A 45 45 LEU H H 45 9.109 8.564 0.545 1
1 440 . 19 1 1 A 45 45 LEU CA C 45 54.800 52.580 2.220 1
1 441 . 19 1 1 A 45 45 LEU HA H 45 5.135 5.325 -0.190 1
1 442 . 19 1 1 A 45 45 LEU CB C 45 45.499 45.598 -0.099 1
1 454 . 19 1 1 A 45 45 LEU C C 45 175.167 175.529 -0.362 1
1 456 . 19 1 1 A 46 46 ILE N N 46 118.172 119.870 -1.698 1
1 457 . 19 1 1 A 46 46 ILE H H 46 7.966 8.753 -0.787 1
1 458 . 19 1 1 A 46 46 ILE CA C 46 58.091 59.421 -1.330 1
1 459 . 19 1 1 A 46 46 ILE HA H 46 5.412 5.047 0.365 1
1 460 . 19 1 1 A 46 46 ILE CB C 46 41.988 41.932 0.056 1
1 472 . 19 1 1 A 46 46 ILE C C 46 174.748 175.446 -0.698 1
1 474 . 19 1 1 A 47 47 GLY N N 47 110.148 115.448 -5.300 1
1 475 . 19 1 1 A 47 47 GLY H H 47 8.554 8.760 -0.206 1
1 476 . 19 1 1 A 47 47 GLY CA C 47 46.136 46.117 0.019 1
1 477 . 19 1 1 A 47 47 GLY HA3 H 47 4.604 4.285 0.319 1
1 478 . 19 1 1 A 47 47 GLY C C 47 171.583 173.760 -2.177 1
1 479 . 19 1 1 A 47 47 GLY HA2 H 47 3.933 4.280 -0.347 1
1 480 . 19 1 1 A 48 48 VAL N N 48 120.434 118.555 1.879 1
1 481 . 19 1 1 A 48 48 VAL H H 48 9.048 7.568 1.480 1
1 482 . 19 1 1 A 48 48 VAL CA C 48 61.060 62.360 -1.300 1
1 483 . 19 1 1 A 48 48 VAL HA H 48 5.143 4.123 1.020 1
1 484 . 19 1 1 A 48 48 VAL CB C 48 34.976 31.564 3.412 1
1 494 . 19 1 1 A 48 48 VAL C C 48 175.260 175.323 -0.063 1
1 495 . 19 1 1 A 49 49 HIS N N 49 127.718 127.518 0.200 1
1 496 . 19 1 1 A 49 49 HIS H H 49 9.556 8.795 0.761 1
1 497 . 19 1 1 A 49 49 HIS CA C 49 55.342 57.774 -2.432 1
1 498 . 19 1 1 A 49 49 HIS HA H 49 4.987 4.518 0.469 1
1 499 . 19 1 1 A 49 49 HIS CB C 49 34.476 30.654 3.822 1
1 505 . 19 1 1 A 49 49 HIS C C 49 173.822 174.727 -0.905 1
1 507 . 19 1 1 A 50 50 GLY N N 50 115.577 112.876 2.701 1
1 508 . 19 1 1 A 50 50 GLY H H 50 8.192 8.858 -0.666 1
1 509 . 19 1 1 A 50 50 GLY CA C 50 44.693 46.889 -2.196 1
1 510 . 19 1 1 A 50 50 GLY HA3 H 50 3.247 4.297 -1.050 1
1 511 . 19 1 1 A 50 50 GLY C C 50 171.437 174.100 -2.663 1
1 512 . 19 1 1 A 50 50 GLY HA2 H 50 3.722 4.274 -0.552 1
1 513 . 19 1 1 A 51 51 PRO CA C 51 64.376 65.122 -0.746 1
1 514 . 19 1 1 A 51 51 PRO HA H 51 4.104 4.372 -0.268 1
1 515 . 19 1 1 A 51 51 PRO CB C 51 32.141 31.806 0.335 1
1 521 . 19 1 1 A 51 51 PRO C C 51 177.607 178.057 -0.450 1
1 525 . 19 1 1 A 52 52 THR N N 52 109.088 108.026 1.062 1
1 526 . 19 1 1 A 52 52 THR H H 52 8.447 7.790 0.657 1
1 527 . 19 1 1 A 52 52 THR CA C 52 62.861 62.182 0.679 1
1 528 . 19 1 1 A 52 52 THR HA H 52 4.424 4.489 -0.065 1
1 529 . 19 1 1 A 52 52 THR CB C 52 70.329 69.980 0.349 1
1 535 . 19 1 1 A 52 52 THR C C 52 174.926 174.630 0.296 1
1 536 . 19 1 1 A 53 53 THR N N 53 118.915 111.904 7.011 1
1 537 . 19 1 1 A 53 53 THR H H 53 7.983 7.670 0.313 1
1 538 . 19 1 1 A 53 53 THR CA C 53 59.878 58.619 1.259 1
1 539 . 19 1 1 A 53 53 THR HA H 53 4.751 4.810 -0.059 1
1 540 . 19 1 1 A 53 53 THR CB C 53 71.034 70.684 0.350 1
1 546 . 19 1 1 A 53 53 THR C C 53 172.019 171.864 0.155 1
1 547 . 19 1 1 A 54 54 PRO CA C 54 62.614 62.329 0.285 1
1 548 . 19 1 1 A 54 54 PRO HA H 54 4.629 4.648 -0.019 1
1 549 . 19 1 1 A 54 54 PRO CB C 54 32.845 32.587 0.258 1
1 555 . 19 1 1 A 54 54 PRO C C 54 177.751 176.315 1.436 1
1 559 . 19 1 1 A 55 55 CYS N N 55 121.538 121.288 0.250 1
1 560 . 19 1 1 A 55 55 CYS H H 55 8.938 8.554 0.384 1
1 561 . 19 1 1 A 55 55 CYS CA C 55 60.342 58.868 1.474 1
1 562 . 19 1 1 A 55 55 CYS HA H 55 4.563 4.717 -0.154 1
1 563 . 19 1 1 A 55 55 CYS CB C 55 27.534 29.025 -1.491 1
1 565 . 19 1 1 A 55 55 CYS C C 55 174.437 175.625 -1.188 1
1 567 . 19 1 1 A 56 56 GLU N N 56 124.530 123.910 0.620 1
1 568 . 19 1 1 A 56 56 GLU H H 56 8.450 8.854 -0.404 1
1 569 . 19 1 1 A 56 56 GLU CA C 56 59.363 59.163 0.200 1
1 570 . 19 1 1 A 56 56 GLU HA H 56 4.471 4.243 0.228 1
1 571 . 19 1 1 A 56 56 GLU CB C 56 31.217 30.521 0.696 1
1 575 . 19 1 1 A 56 56 GLU C C 56 176.847 176.361 0.486 1
1 578 . 19 1 1 A 57 57 GLU N N 57 114.661 116.832 -2.171 1
1 579 . 19 1 1 A 57 57 GLU H H 57 7.478 7.726 -0.248 1
1 580 . 19 1 1 A 57 57 GLU CA C 57 55.551 56.194 -0.643 1
1 581 . 19 1 1 A 57 57 GLU HA H 57 5.414 4.753 0.661 1
1 582 . 19 1 1 A 57 57 GLU CB C 57 34.084 33.029 1.055 1
1 586 . 19 1 1 A 57 57 GLU C C 57 174.400 174.135 0.265 1
1 589 . 19 1 1 A 58 58 VAL N N 58 123.611 123.730 -0.119 1
1 590 . 19 1 1 A 58 58 VAL H H 58 8.605 8.436 0.169 1
1 591 . 19 1 1 A 58 58 VAL CA C 58 62.048 61.703 0.345 1
1 592 . 19 1 1 A 58 58 VAL HA H 58 4.941 4.924 0.017 1
1 593 . 19 1 1 A 58 58 VAL CB C 58 35.700 34.448 1.252 1
1 603 . 19 1 1 A 58 58 VAL C C 58 174.426 174.823 -0.397 1
1 604 . 19 1 1 A 59 59 SER N N 59 121.592 122.457 -0.865 1
1 605 . 19 1 1 A 59 59 SER H H 59 9.635 9.397 0.238 1
1 606 . 19 1 1 A 59 59 SER CA C 59 57.012 56.882 0.130 1
1 607 . 19 1 1 A 59 59 SER HA H 59 5.526 5.127 0.399 1
1 608 . 19 1 1 A 59 59 SER CB C 59 65.896 64.346 1.550 1
1 610 . 19 1 1 A 59 59 SER C C 59 172.465 173.299 -0.834 1
1 612 . 19 1 1 A 60 60 MET N N 60 122.508 125.398 -2.890 1
1 613 . 19 1 1 A 60 60 MET H H 60 9.435 9.126 0.309 1
1 614 . 19 1 1 A 60 60 MET CA C 60 54.541 53.649 0.892 1
1 615 . 19 1 1 A 60 60 MET HA H 60 5.352 5.356 -0.004 1
1 616 . 19 1 1 A 60 60 MET CB C 60 37.420 34.197 3.223 1
1 624 . 19 1 1 A 60 60 MET C C 60 174.616 175.637 -1.021 1
1 627 . 19 1 1 A 61 61 LYS N N 61 125.580 123.672 1.908 1
1 628 . 19 1 1 A 61 61 LYS H H 61 8.963 9.351 -0.388 1
1 629 . 19 1 1 A 61 61 LYS CA C 61 54.688 54.953 -0.265 1
1 630 . 19 1 1 A 61 61 LYS HA H 61 5.396 4.974 0.422 1
1 631 . 19 1 1 A 61 61 LYS CB C 61 36.412 36.765 -0.353 1
1 639 . 19 1 1 A 61 61 LYS C C 61 175.548 174.908 0.640 1
1 644 . 19 1 1 A 62 62 HIS N N 62 125.822 123.101 2.721 1
1 645 . 19 1 1 A 62 62 HIS H H 62 8.967 8.947 0.020 1
1 646 . 19 1 1 A 62 62 HIS CA C 62 55.674 54.011 1.663 1
1 647 . 19 1 1 A 62 62 HIS HA H 62 4.621 4.746 -0.125 1
1 648 . 19 1 1 A 62 62 HIS CB C 62 29.732 30.041 -0.309 1
1 654 . 19 1 1 A 62 62 HIS C C 62 175.912 174.935 0.977 1
1 656 . 19 1 1 A 63 63 VAL N N 63 124.131 123.902 0.229 1
1 657 . 19 1 1 A 63 63 VAL H H 63 8.633 8.277 0.356 1
1 658 . 19 1 1 A 63 63 VAL CA C 63 61.288 64.296 -3.008 1
1 659 . 19 1 1 A 63 63 VAL HA H 63 4.299 3.667 0.632 1
1 660 . 19 1 1 A 63 63 VAL CB C 63 30.964 32.581 -1.617 1
1 670 . 19 1 1 A 63 63 VAL C C 63 175.339 175.430 -0.091 1
1 671 . 19 1 1 A 64 64 GLY N N 64 108.087 109.973 -1.886 1
1 672 . 19 1 1 A 64 64 GLY H H 64 5.406 7.057 -1.651 1
1 673 . 19 1 1 A 64 64 GLY CA C 64 44.979 43.542 1.437 1
1 674 . 19 1 1 A 64 64 GLY HA3 H 64 3.118 3.744 -0.626 1
1 675 . 19 1 1 A 64 64 GLY C C 64 174.125 173.909 0.216 1
1 676 . 19 1 1 A 64 64 GLY HA2 H 64 4.287 3.153 1.134 1
1 677 . 19 1 1 A 65 65 ASN N N 65 118.292 117.414 0.878 1
1 678 . 19 1 1 A 65 65 ASN H H 65 9.260 9.309 -0.049 1
1 679 . 19 1 1 A 65 65 ASN CA C 65 54.643 54.542 0.101 1
1 680 . 19 1 1 A 65 65 ASN HA H 65 4.401 4.419 -0.018 1
1 681 . 19 1 1 A 65 65 ASN CB C 65 37.695 36.946 0.749 1
1 686 . 19 1 1 A 65 65 ASN C C 65 174.079 174.719 -0.640 1
1 688 . 19 1 1 A 66 66 GLN N N 66 111.325 108.899 2.426 1
1 689 . 19 1 1 A 66 66 GLN H H 66 10.512 8.583 1.929 1
1 690 . 19 1 1 A 66 66 GLN CA C 66 57.009 57.437 -0.428 1
1 691 . 19 1 1 A 66 66 GLN HA H 66 3.713 4.001 -0.288 1
1 692 . 19 1 1 A 66 66 GLN CB C 66 24.986 26.702 -1.716 1
1 699 . 19 1 1 A 66 66 GLN C C 66 173.896 174.351 -0.455 1
1 702 . 19 1 1 A 67 67 GLN N N 67 115.692 117.566 -1.874 1
1 703 . 19 1 1 A 67 67 GLN H H 67 7.492 7.751 -0.259 1
1 704 . 19 1 1 A 67 67 GLN CA C 67 54.496 54.771 -0.275 1
1 705 . 19 1 1 A 67 67 GLN HA H 67 5.400 4.947 0.453 1
1 706 . 19 1 1 A 67 67 GLN CB C 67 29.896 31.049 -1.153 1
1 713 . 19 1 1 A 67 67 GLN C C 67 175.043 174.332 0.711 1
1 716 . 19 1 1 A 68 68 TYR N N 68 121.249 122.019 -0.770 1
1 717 . 19 1 1 A 68 68 TYR H H 68 9.573 8.999 0.574 1
1 718 . 19 1 1 A 68 68 TYR CA C 68 56.443 56.574 -0.131 1
1 719 . 19 1 1 A 68 68 TYR HA H 68 5.417 5.253 0.164 1
1 720 . 19 1 1 A 68 68 TYR CB C 68 41.249 40.339 0.910 1
1 730 . 19 1 1 A 68 68 TYR C C 68 174.846 174.712 0.134 1
1 732 . 19 1 1 A 69 69 ASN N N 69 122.429 123.895 -1.466 1
1 733 . 19 1 1 A 69 69 ASN H H 69 9.354 9.286 0.068 1
1 734 . 19 1 1 A 69 69 ASN CA C 69 52.454 52.941 -0.487 1
1 735 . 19 1 1 A 69 69 ASN HA H 69 5.260 4.878 0.382 1
1 736 . 19 1 1 A 69 69 ASN CB C 69 40.922 39.661 1.261 1
1 741 . 19 1 1 A 69 69 ASN C C 69 174.835 174.119 0.716 1
1 743 . 19 1 1 A 70 70 VAL N N 70 131.599 125.916 5.683 1
1 744 . 19 1 1 A 70 70 VAL H H 70 9.157 8.240 0.917 1
1 745 . 19 1 1 A 70 70 VAL CA C 70 60.900 60.793 0.107 1
1 746 . 19 1 1 A 70 70 VAL HA H 70 4.910 4.959 -0.049 1
1 747 . 19 1 1 A 70 70 VAL CB C 70 31.882 34.013 -2.131 1
1 757 . 19 1 1 A 70 70 VAL C C 70 174.368 174.467 -0.099 1
1 758 . 19 1 1 A 71 71 THR N N 71 119.213 122.325 -3.112 1
1 759 . 19 1 1 A 71 71 THR H H 71 8.996 8.930 0.066 1
1 760 . 19 1 1 A 71 71 THR CA C 71 59.796 60.975 -1.179 1
1 761 . 19 1 1 A 71 71 THR HA H 71 5.614 5.100 0.514 1
1 762 . 19 1 1 A 71 71 THR CB C 71 72.339 71.590 0.749 1
1 768 . 19 1 1 A 71 71 THR C C 71 173.260 173.128 0.132 1
1 769 . 19 1 1 A 72 72 TYR N N 72 121.105 120.836 0.269 1
1 770 . 19 1 1 A 72 72 TYR H H 72 9.200 8.529 0.671 1
1 771 . 19 1 1 A 72 72 TYR CA C 72 56.112 55.522 0.590 1
1 772 . 19 1 1 A 72 72 TYR HA H 72 5.600 5.760 -0.160 1
1 773 . 19 1 1 A 72 72 TYR CB C 72 41.878 41.959 -0.081 1
1 783 . 19 1 1 A 72 72 TYR C C 72 173.176 173.192 -0.016 1
1 785 . 19 1 1 A 73 73 VAL N N 73 118.799 119.625 -0.826 1
1 786 . 19 1 1 A 73 73 VAL H H 73 8.214 8.299 -0.085 1
1 787 . 19 1 1 A 73 73 VAL CA C 73 61.111 61.458 -0.347 1
1 788 . 19 1 1 A 73 73 VAL HA H 73 4.514 4.800 -0.286 1
1 789 . 19 1 1 A 73 73 VAL CB C 73 35.729 35.658 0.071 1
1 799 . 19 1 1 A 73 73 VAL C C 73 175.529 174.669 0.860 1
1 800 . 19 1 1 A 74 74 VAL N N 74 121.061 122.645 -1.584 1
1 801 . 19 1 1 A 74 74 VAL H H 74 8.947 9.047 -0.100 1
1 802 . 19 1 1 A 74 74 VAL CA C 74 59.858 60.357 -0.499 1
1 803 . 19 1 1 A 74 74 VAL HA H 74 4.785 4.965 -0.180 1
1 804 . 19 1 1 A 74 74 VAL CB C 74 32.795 34.061 -1.266 1
1 814 . 19 1 1 A 74 74 VAL C C 74 176.022 174.879 1.143 1
1 815 . 19 1 1 A 75 75 LYS N N 75 120.273 127.085 -6.812 1
1 816 . 19 1 1 A 75 75 LYS H H 75 9.404 9.001 0.403 1
1 817 . 19 1 1 A 75 75 LYS CA C 75 55.705 56.449 -0.744 1
1 818 . 19 1 1 A 75 75 LYS HA H 75 4.653 4.572 0.081 1
1 819 . 19 1 1 A 75 75 LYS CB C 75 34.767 32.682 2.085 1
1 827 . 19 1 1 A 75 75 LYS C C 75 175.025 175.857 -0.832 1
1 832 . 19 1 1 A 76 76 GLU N N 76 117.540 119.765 -2.225 1
1 833 . 19 1 1 A 76 76 GLU H H 76 7.224 7.760 -0.536 1
1 834 . 19 1 1 A 76 76 GLU CA C 76 54.893 55.532 -0.639 1
1 835 . 19 1 1 A 76 76 GLU HA H 76 4.747 4.794 -0.047 1
1 836 . 19 1 1 A 76 76 GLU CB C 76 33.199 33.238 -0.039 1
1 840 . 19 1 1 A 76 76 GLU C C 76 175.664 174.570 1.094 1
1 843 . 19 1 1 A 77 77 ARG N N 77 125.564 121.836 3.728 1
1 844 . 19 1 1 A 77 77 ARG H H 77 8.906 8.598 0.308 1
1 845 . 19 1 1 A 77 77 ARG CA C 77 56.610 54.920 1.690 1
1 846 . 19 1 1 A 77 77 ARG HA H 77 4.234 4.987 -0.753 1
1 847 . 19 1 1 A 77 77 ARG CB C 77 31.036 32.717 -1.681 1
1 855 . 19 1 1 A 77 77 ARG C C 77 174.779 175.652 -0.873 1
1 859 . 19 1 1 A 78 78 GLY N N 78 108.773 108.198 0.575 1
1 860 . 19 1 1 A 78 78 GLY H H 78 8.928 8.537 0.391 1
1 861 . 19 1 1 A 78 78 GLY CA C 78 44.418 43.854 0.564 1
1 862 . 19 1 1 A 78 78 GLY HA3 H 78 3.770 4.174 -0.404 1
1 863 . 19 1 1 A 78 78 GLY C C 78 171.452 172.902 -1.450 1
1 864 . 19 1 1 A 78 78 GLY HA2 H 78 4.467 4.121 0.346 1
1 865 . 19 1 1 A 79 79 ASP N N 79 120.109 120.567 -0.458 1
1 866 . 19 1 1 A 79 79 ASP H H 79 8.070 8.461 -0.391 1
1 867 . 19 1 1 A 79 79 ASP CA C 79 54.204 54.028 0.176 1
1 868 . 19 1 1 A 79 79 ASP HA H 79 5.344 5.013 0.331 1
1 869 . 19 1 1 A 79 79 ASP CB C 79 42.148 41.148 1.000 1
1 871 . 19 1 1 A 79 79 ASP C C 79 175.474 175.170 0.304 1
1 873 . 19 1 1 A 80 80 TYR N N 80 121.969 125.000 -3.031 1
1 874 . 19 1 1 A 80 80 TYR H H 80 9.412 9.338 0.074 1
1 875 . 19 1 1 A 80 80 TYR CA C 80 56.872 57.948 -1.076 1
1 876 . 19 1 1 A 80 80 TYR HA H 80 4.821 4.862 -0.041 1
1 877 . 19 1 1 A 80 80 TYR CB C 80 41.557 40.119 1.438 1
1 887 . 19 1 1 A 80 80 TYR C C 80 175.552 175.940 -0.388 1
1 889 . 19 1 1 A 81 81 VAL N N 81 121.669 121.746 -0.077 1
1 890 . 19 1 1 A 81 81 VAL H H 81 8.688 8.836 -0.148 1
1 891 . 19 1 1 A 81 81 VAL CA C 81 61.217 61.430 -0.213 1
1 892 . 19 1 1 A 81 81 VAL HA H 81 4.606 4.704 -0.098 1
1 893 . 19 1 1 A 81 81 VAL CB C 81 33.990 33.153 0.837 1
1 903 . 19 1 1 A 81 81 VAL C C 81 173.568 174.251 -0.683 1
1 904 . 19 1 1 A 82 82 LEU N N 82 129.806 130.564 -0.758 1
1 905 . 19 1 1 A 82 82 LEU H H 82 8.873 8.637 0.236 1
1 906 . 19 1 1 A 82 82 LEU CA C 82 53.321 53.957 -0.636 1
1 907 . 19 1 1 A 82 82 LEU HA H 82 5.150 4.880 0.270 1
1 908 . 19 1 1 A 82 82 LEU CB C 82 44.594 43.369 1.225 1
1 920 . 19 1 1 A 82 82 LEU C C 82 174.427 174.859 -0.432 1
1 922 . 19 1 1 A 83 83 ALA N N 83 128.482 130.285 -1.803 1
1 923 . 19 1 1 A 83 83 ALA H H 83 9.294 9.069 0.225 1
1 924 . 19 1 1 A 83 83 ALA CA C 83 50.133 50.379 -0.246 1
1 925 . 19 1 1 A 83 83 ALA HA H 83 5.081 5.378 -0.297 1
1 926 . 19 1 1 A 83 83 ALA CB C 83 21.500 21.117 0.383 1
1 930 . 19 1 1 A 83 83 ALA C C 83 174.991 175.956 -0.965 1
1 931 . 19 1 1 A 84 84 VAL N N 84 121.691 123.912 -2.221 1
1 932 . 19 1 1 A 84 84 VAL H H 84 9.222 8.973 0.249 1
1 933 . 19 1 1 A 84 84 VAL CA C 84 61.324 61.185 0.139 1
1 934 . 19 1 1 A 84 84 VAL HA H 84 4.785 4.733 0.052 1
1 935 . 19 1 1 A 84 84 VAL CB C 84 34.116 34.444 -0.328 1
1 945 . 19 1 1 A 84 84 VAL C C 84 174.156 174.864 -0.708 1
1 946 . 19 1 1 A 85 85 LYS N N 85 124.020 126.395 -2.375 1
1 947 . 19 1 1 A 85 85 LYS H H 85 9.193 8.543 0.650 1
1 948 . 19 1 1 A 85 85 LYS CA C 85 54.222 54.692 -0.470 1
1 949 . 19 1 1 A 85 85 LYS HA H 85 4.958 5.189 -0.231 1
1 950 . 19 1 1 A 85 85 LYS CB C 85 34.814 35.286 -0.472 1
1 958 . 19 1 1 A 85 85 LYS C C 85 173.704 175.154 -1.450 1
1 963 . 19 1 1 A 86 86 TRP N N 86 123.429 124.453 -1.024 1
1 964 . 19 1 1 A 86 86 TRP H H 86 8.623 8.860 -0.237 1
1 965 . 19 1 1 A 86 86 TRP CA C 86 53.803 56.692 -2.889 1
1 966 . 19 1 1 A 86 86 TRP HA H 86 5.583 4.906 0.677 1
1 967 . 19 1 1 A 86 86 TRP CB C 86 32.084 31.986 0.098 1
1 981 . 19 1 1 A 86 86 TRP C C 86 176.916 175.899 1.017 1
1 983 . 19 1 1 A 87 87 GLY N N 87 116.722 114.880 1.842 1
1 984 . 19 1 1 A 87 87 GLY H H 87 8.782 8.700 0.082 1
1 985 . 19 1 1 A 87 87 GLY CA C 87 46.432 46.597 -0.165 1
1 986 . 19 1 1 A 87 87 GLY HA3 H 87 3.152 3.572 -0.420 1
1 987 . 19 1 1 A 87 87 GLY C C 87 173.838 174.053 -0.215 1
1 988 . 19 1 1 A 87 87 GLY HA2 H 87 3.732 3.371 0.361 1
1 989 . 19 1 1 A 88 88 GLU N N 88 122.405 110.613 11.792 1
1 990 . 19 1 1 A 88 88 GLU H H 88 8.592 8.416 0.176 1
1 991 . 19 1 1 A 88 88 GLU CA C 88 56.004 57.618 -1.614 1
1 992 . 19 1 1 A 88 88 GLU HA H 88 4.057 3.811 0.246 1
1 993 . 19 1 1 A 88 88 GLU CB C 88 29.764 27.422 2.342 1
1 997 . 19 1 1 A 88 88 GLU C C 88 176.465 174.851 1.614 1
1 1000 . 19 1 1 A 89 89 GLU N N 89 117.358 117.100 0.258 1
1 1001 . 19 1 1 A 89 89 GLU H H 89 7.226 7.582 -0.356 1
1 1002 . 19 1 1 A 89 89 GLU CA C 89 54.921 54.844 0.077 1
1 1003 . 19 1 1 A 89 89 GLU HA H 89 4.580 5.147 -0.567 1
1 1004 . 19 1 1 A 89 89 GLU CB C 89 33.160 34.270 -1.110 1
1 1008 . 19 1 1 A 89 89 GLU C C 89 175.674 174.993 0.681 1
1 1011 . 19 1 1 A 90 90 HIS N N 90 122.210 116.540 5.670 1
1 1012 . 19 1 1 A 90 90 HIS H H 90 8.603 8.805 -0.202 1
1 1013 . 19 1 1 A 90 90 HIS CA C 90 58.321 54.645 3.676 1
1 1014 . 19 1 1 A 90 90 HIS HA H 90 4.343 5.155 -0.812 1
1 1015 . 19 1 1 A 90 90 HIS CB C 90 32.786 31.923 0.863 1
1 1021 . 19 1 1 A 90 90 HIS C C 90 177.001 175.170 1.831 1
1 1023 . 19 1 1 A 91 91 ILE N N 91 117.760 122.636 -4.876 1
1 1024 . 19 1 1 A 91 91 ILE H H 91 8.289 8.170 0.119 1
1 1025 . 19 1 1 A 91 91 ILE CA C 91 61.019 60.228 0.791 1
1 1026 . 19 1 1 A 91 91 ILE HA H 91 4.482 4.217 0.265 1
1 1027 . 19 1 1 A 91 91 ILE CB C 91 35.655 37.875 -2.220 1
1 1039 . 19 1 1 A 91 91 ILE C C 91 173.231 175.452 -2.221 1
1 1041 . 19 1 1 A 92 92 PRO CA C 92 65.378 63.603 1.775 1
1 1042 . 19 1 1 A 92 92 PRO HA H 92 4.207 4.299 -0.092 1
1 1043 . 19 1 1 A 92 92 PRO CB C 92 31.301 31.208 0.093 1
1 1049 . 19 1 1 A 92 92 PRO C C 92 177.559 177.416 0.143 1
1 1053 . 19 1 1 A 93 93 GLY N N 93 115.174 113.202 1.972 1
1 1054 . 19 1 1 A 93 93 GLY H H 93 8.291 8.704 -0.413 1
1 1055 . 19 1 1 A 93 93 GLY CA C 93 44.729 44.742 -0.013 1
1 1056 . 19 1 1 A 93 93 GLY HA3 H 93 3.122 3.682 -0.560 1
1 1057 . 19 1 1 A 93 93 GLY C C 93 171.695 173.525 -1.830 1
1 1058 . 19 1 1 A 93 93 GLY HA2 H 93 4.116 3.606 0.510 1
1 1059 . 19 1 1 A 94 94 SER N N 94 112.948 117.086 -4.138 1
1 1060 . 19 1 1 A 94 94 SER H H 94 7.612 7.423 0.189 1
1 1061 . 19 1 1 A 94 94 SER CA C 94 54.585 55.223 -0.638 1
1 1062 . 19 1 1 A 94 94 SER HA H 94 4.002 4.447 -0.445 1
1 1063 . 19 1 1 A 94 94 SER CB C 94 62.348 64.138 -1.790 1
1 1065 . 19 1 1 A 94 94 SER C C 94 174.321 172.750 1.571 1
1 1067 . 19 1 1 A 95 95 PRO CA C 95 62.338 62.727 -0.389 1
1 1068 . 19 1 1 A 95 95 PRO HA H 95 5.296 4.743 0.553 1
1 1069 . 19 1 1 A 95 95 PRO CB C 95 33.730 32.755 0.975 1
1 1075 . 19 1 1 A 95 95 PRO C C 95 175.728 176.972 -1.244 1
1 1079 . 19 1 1 A 96 96 PHE N N 96 124.415 121.054 3.361 1
1 1080 . 19 1 1 A 96 96 PHE H H 96 9.643 8.598 1.045 1
1 1081 . 19 1 1 A 96 96 PHE CA C 96 57.405 57.657 -0.252 1
1 1082 . 19 1 1 A 96 96 PHE HA H 96 4.474 4.839 -0.365 1
1 1083 . 19 1 1 A 96 96 PHE CB C 96 40.160 40.321 -0.161 1
1 1095 . 19 1 1 A 96 96 PHE C C 96 175.736 175.100 0.636 1
1 1097 . 19 1 1 A 97 97 HIS N N 97 121.364 121.305 0.059 1
1 1098 . 19 1 1 A 97 97 HIS H H 97 8.898 8.981 -0.083 1
1 1099 . 19 1 1 A 97 97 HIS CA C 97 55.214 54.388 0.826 1
1 1100 . 19 1 1 A 97 97 HIS HA H 97 5.124 5.312 -0.188 1
1 1101 . 19 1 1 A 97 97 HIS CB C 97 29.981 31.648 -1.667 1
1 1107 . 19 1 1 A 97 97 HIS C C 97 173.895 173.396 0.499 1
1 1109 . 19 1 1 A 98 98 VAL N N 98 127.912 129.235 -1.323 1
1 1110 . 19 1 1 A 98 98 VAL H H 98 8.582 9.073 -0.491 1
1 1111 . 19 1 1 A 98 98 VAL CA C 98 61.467 61.526 -0.059 1
1 1112 . 19 1 1 A 98 98 VAL HA H 98 4.096 4.620 -0.524 1
1 1113 . 19 1 1 A 98 98 VAL CB C 98 35.455 32.261 3.194 1
1 1123 . 19 1 1 A 98 98 VAL C C 98 174.874 174.966 -0.092 1
1 1124 . 19 1 1 A 99 99 THR N N 99 123.090 123.573 -0.483 1
1 1125 . 19 1 1 A 99 99 THR H H 99 8.117 8.680 -0.563 1
1 1126 . 19 1 1 A 99 99 THR CA C 99 62.031 62.216 -0.185 1
1 1127 . 19 1 1 A 99 99 THR HA H 99 4.852 4.629 0.223 1
1 1128 . 19 1 1 A 99 99 THR CB C 99 70.661 69.852 0.809 1
1 1134 . 19 1 1 A 99 99 THR C C 99 173.264 173.977 -0.713 1
1 1135 . 19 1 1 A 100 100 VAL N N 100 129.827 126.415 3.412 1
1 1136 . 19 1 1 A 100 100 VAL H H 100 8.812 8.511 0.301 1
1 1137 . 19 1 1 A 100 100 VAL CA C 100 58.577 58.746 -0.169 1
1 1138 . 19 1 1 A 100 100 VAL HA H 100 5.053 4.567 0.486 1
1 1139 . 19 1 1 A 100 100 VAL CB C 100 33.365 33.059 0.306 1
1 1149 . 19 1 1 A 100 100 VAL C C 100 174.927 174.276 0.651 1
1 1 . 20 1 1 A 6 6 SER CA C 6 58.666 59.405 -0.739 1
1 2 . 20 1 1 A 6 6 SER HA H 6 4.514 4.139 0.375 1
1 3 . 20 1 1 A 6 6 SER CB C 6 63.933 61.627 2.306 1
1 5 . 20 1 1 A 6 6 SER C C 6 175.074 174.458 0.616 1
1 7 . 20 1 1 A 7 7 GLY N N 7 110.792 106.458 4.334 1
1 8 . 20 1 1 A 7 7 GLY H H 7 8.450 8.557 -0.107 1
1 9 . 20 1 1 A 7 7 GLY CA C 7 45.406 44.730 0.676 1
1 10 . 20 1 1 A 7 7 GLY HA3 H 7 4.052 4.046 0.006 1
1 11 . 20 1 1 A 7 7 GLY C C 7 174.270 172.738 1.532 1
1 12 . 20 1 1 A 7 7 GLY HA2 H 7 4.052 4.035 0.017 1
1 13 . 20 1 1 A 8 8 SER N N 8 115.558 116.997 -1.439 1
1 14 . 20 1 1 A 8 8 SER H H 8 8.274 8.602 -0.328 1
1 15 . 20 1 1 A 8 8 SER CA C 8 58.332 57.752 0.580 1
1 16 . 20 1 1 A 8 8 SER HA H 8 4.557 5.194 -0.637 1
1 17 . 20 1 1 A 8 8 SER CB C 8 63.930 65.633 -1.703 1
1 19 . 20 1 1 A 8 8 SER C C 8 174.064 173.168 0.896 1
1 21 . 20 1 1 A 9 9 SER N N 9 116.801 119.936 -3.135 1
1 22 . 20 1 1 A 9 9 SER H H 9 8.227 8.900 -0.673 1
1 23 . 20 1 1 A 9 9 SER CA C 9 58.075 57.649 0.426 1
1 24 . 20 1 1 A 9 9 SER HA H 9 5.001 5.430 -0.429 1
1 25 . 20 1 1 A 9 9 SER CB C 9 64.491 65.810 -1.319 1
1 27 . 20 1 1 A 9 9 SER C C 9 174.318 172.913 1.405 1
1 29 . 20 1 1 A 10 10 ASP N N 10 122.324 125.880 -3.556 1
1 30 . 20 1 1 A 10 10 ASP H H 10 8.262 9.214 -0.952 1
1 31 . 20 1 1 A 10 10 ASP CA C 10 53.833 53.226 0.607 1
1 32 . 20 1 1 A 10 10 ASP HA H 10 4.892 5.251 -0.359 1
1 33 . 20 1 1 A 10 10 ASP CB C 10 41.497 43.349 -1.852 1
1 35 . 20 1 1 A 10 10 ASP C C 10 176.306 176.147 0.159 1
1 37 . 20 1 1 A 11 11 ALA N N 11 126.255 125.237 1.018 1
1 38 . 20 1 1 A 11 11 ALA H H 11 9.091 8.876 0.215 1
1 39 . 20 1 1 A 11 11 ALA CA C 11 54.713 54.559 0.154 1
1 40 . 20 1 1 A 11 11 ALA HA H 11 4.056 4.293 -0.237 1
1 41 . 20 1 1 A 11 11 ALA CB C 11 20.177 19.256 0.921 1
1 45 . 20 1 1 A 11 11 ALA C C 11 177.950 179.455 -1.505 1
1 46 . 20 1 1 A 12 12 SER N N 12 110.658 114.107 -3.449 1
1 47 . 20 1 1 A 12 12 SER H H 12 8.224 8.009 0.215 1
1 48 . 20 1 1 A 12 12 SER CA C 12 60.857 61.609 -0.752 1
1 49 . 20 1 1 A 12 12 SER HA H 12 4.240 4.209 0.031 1
1 50 . 20 1 1 A 12 12 SER CB C 12 62.964 62.987 -0.023 1
1 52 . 20 1 1 A 12 12 SER C C 12 175.312 175.607 -0.295 1
1 54 . 20 1 1 A 13 13 LYS N N 13 119.063 117.992 1.071 1
1 55 . 20 1 1 A 13 13 LYS H H 13 7.349 7.734 -0.385 1
1 56 . 20 1 1 A 13 13 LYS CA C 13 54.948 56.898 -1.950 1
1 57 . 20 1 1 A 13 13 LYS HA H 13 4.293 4.373 -0.080 1
1 58 . 20 1 1 A 13 13 LYS CB C 13 33.037 33.108 -0.071 1
1 66 . 20 1 1 A 13 13 LYS C C 13 177.263 176.916 0.347 1
1 71 . 20 1 1 A 14 14 VAL N N 14 124.317 120.834 3.483 1
1 72 . 20 1 1 A 14 14 VAL H H 14 7.500 7.428 0.072 1
1 73 . 20 1 1 A 14 14 VAL CA C 14 63.797 63.104 0.693 1
1 74 . 20 1 1 A 14 14 VAL HA H 14 3.870 3.810 0.060 1
1 75 . 20 1 1 A 14 14 VAL CB C 14 31.996 31.556 0.440 1
1 85 . 20 1 1 A 14 14 VAL C C 14 175.873 175.392 0.481 1
1 86 . 20 1 1 A 15 15 THR N N 15 117.704 117.368 0.336 1
1 87 . 20 1 1 A 15 15 THR H H 15 8.197 8.169 0.028 1
1 88 . 20 1 1 A 15 15 THR CA C 15 59.805 59.458 0.347 1
1 89 . 20 1 1 A 15 15 THR HA H 15 4.911 5.197 -0.286 1
1 90 . 20 1 1 A 15 15 THR CB C 15 71.373 72.131 -0.758 1
1 96 . 20 1 1 A 15 15 THR C C 15 172.695 173.275 -0.580 1
1 97 . 20 1 1 A 16 16 SER N N 16 113.256 116.433 -3.177 1
1 98 . 20 1 1 A 16 16 SER H H 16 8.442 9.083 -0.641 1
1 99 . 20 1 1 A 16 16 SER CA C 16 57.155 56.429 0.726 1
1 100 . 20 1 1 A 16 16 SER HA H 16 5.564 5.401 0.163 1
1 101 . 20 1 1 A 16 16 SER CB C 16 66.124 65.889 0.235 1
1 103 . 20 1 1 A 16 16 SER C C 16 173.455 173.611 -0.156 1
1 105 . 20 1 1 A 17 17 LYS N N 17 117.543 119.476 -1.933 1
1 106 . 20 1 1 A 17 17 LYS H H 17 8.870 8.829 0.041 1
1 107 . 20 1 1 A 17 17 LYS CA C 17 56.063 54.213 1.850 1
1 108 . 20 1 1 A 17 17 LYS HA H 17 4.673 4.960 -0.287 1
1 109 . 20 1 1 A 17 17 LYS CB C 17 35.602 35.800 -0.198 1
1 117 . 20 1 1 A 17 17 LYS C C 17 174.625 175.484 -0.859 1
1 122 . 20 1 1 A 18 18 GLY N N 18 110.702 107.432 3.270 1
1 123 . 20 1 1 A 18 18 GLY H H 18 8.746 8.416 0.330 1
1 124 . 20 1 1 A 18 18 GLY CA C 18 44.501 44.148 0.353 1
1 125 . 20 1 1 A 18 18 GLY HA3 H 18 3.998 4.184 -0.186 1
1 126 . 20 1 1 A 18 18 GLY C C 18 175.460 174.264 1.196 1
1 127 . 20 1 1 A 18 18 GLY HA2 H 18 4.947 4.155 0.792 1
1 128 . 20 1 1 A 19 19 ALA CA C 19 55.387 53.178 2.209 1
1 129 . 20 1 1 A 19 19 ALA HA H 19 4.229 4.289 -0.060 1
1 130 . 20 1 1 A 19 19 ALA CB C 19 18.689 19.651 -0.962 1
1 134 . 20 1 1 A 19 19 ALA C C 19 179.606 179.311 0.295 1
1 135 . 20 1 1 A 20 20 GLY N N 20 101.587 106.472 -4.885 1
1 136 . 20 1 1 A 20 20 GLY H H 20 8.466 8.460 0.006 1
1 137 . 20 1 1 A 20 20 GLY CA C 20 46.078 47.194 -1.116 1
1 138 . 20 1 1 A 20 20 GLY HA3 H 20 3.596 4.000 -0.404 1
1 139 . 20 1 1 A 20 20 GLY C C 20 173.214 176.323 -3.109 1
1 140 . 20 1 1 A 20 20 GLY HA2 H 20 4.689 3.888 0.801 1
1 141 . 20 1 1 A 21 21 LEU N N 21 115.987 122.815 -6.828 1
1 142 . 20 1 1 A 21 21 LEU H H 21 6.928 7.840 -0.912 1
1 143 . 20 1 1 A 21 21 LEU CA C 21 55.567 57.088 -1.521 1
1 144 . 20 1 1 A 21 21 LEU HA H 21 3.404 3.742 -0.338 1
1 145 . 20 1 1 A 21 21 LEU CB C 21 41.702 40.923 0.779 1
1 157 . 20 1 1 A 21 21 LEU C C 21 175.989 179.243 -3.254 1
1 159 . 20 1 1 A 22 22 SER N N 22 106.483 112.873 -6.390 1
1 160 . 20 1 1 A 22 22 SER H H 22 7.808 8.120 -0.312 1
1 161 . 20 1 1 A 22 22 SER CA C 22 58.956 60.729 -1.773 1
1 162 . 20 1 1 A 22 22 SER HA H 22 4.901 4.414 0.487 1
1 163 . 20 1 1 A 22 22 SER CB C 22 66.238 63.631 2.607 1
1 165 . 20 1 1 A 22 22 SER C C 22 174.051 174.034 0.017 1
1 167 . 20 1 1 A 23 23 LYS N N 23 124.757 115.088 9.669 1
1 168 . 20 1 1 A 23 23 LYS H H 23 8.399 7.778 0.621 1
1 169 . 20 1 1 A 23 23 LYS CA C 23 55.676 54.827 0.849 1
1 170 . 20 1 1 A 23 23 LYS HA H 23 4.973 4.671 0.302 1
1 171 . 20 1 1 A 23 23 LYS CB C 23 36.338 35.564 0.774 1
1 179 . 20 1 1 A 23 23 LYS C C 23 173.136 174.288 -1.152 1
1 184 . 20 1 1 A 24 24 ALA N N 24 123.565 122.598 0.967 1
1 185 . 20 1 1 A 24 24 ALA H H 24 7.541 8.561 -1.020 1
1 186 . 20 1 1 A 24 24 ALA CA C 24 51.148 49.763 1.385 1
1 187 . 20 1 1 A 24 24 ALA HA H 24 4.256 4.920 -0.664 1
1 188 . 20 1 1 A 24 24 ALA CB C 24 22.019 22.510 -0.491 1
1 192 . 20 1 1 A 24 24 ALA C C 24 173.515 175.542 -2.027 1
1 193 . 20 1 1 A 25 25 PHE N N 25 114.269 116.288 -2.019 1
1 194 . 20 1 1 A 25 25 PHE H H 25 7.858 8.629 -0.771 1
1 195 . 20 1 1 A 25 25 PHE CA C 25 55.809 56.703 -0.894 1
1 196 . 20 1 1 A 25 25 PHE HA H 25 5.191 4.976 0.215 1
1 197 . 20 1 1 A 25 25 PHE CB C 25 41.943 41.578 0.365 1
1 209 . 20 1 1 A 25 25 PHE C C 25 177.046 175.472 1.574 1
1 211 . 20 1 1 A 26 26 VAL N N 26 123.270 123.640 -0.370 1
1 212 . 20 1 1 A 26 26 VAL H H 26 9.338 8.719 0.619 1
1 213 . 20 1 1 A 26 26 VAL CA C 26 65.054 65.155 -0.101 1
1 214 . 20 1 1 A 26 26 VAL HA H 26 3.441 3.641 -0.200 1
1 215 . 20 1 1 A 26 26 VAL CB C 26 31.757 31.541 0.216 1
1 225 . 20 1 1 A 26 26 VAL C C 26 178.201 177.276 0.925 1
1 226 . 20 1 1 A 27 27 GLY N N 27 112.668 114.765 -2.097 1
1 227 . 20 1 1 A 27 27 GLY H H 27 8.862 9.098 -0.236 1
1 228 . 20 1 1 A 27 27 GLY CA C 27 45.857 45.462 0.395 1
1 229 . 20 1 1 A 27 27 GLY HA3 H 27 4.229 4.028 0.201 1
1 230 . 20 1 1 A 27 27 GLY C C 27 173.411 174.151 -0.740 1
1 231 . 20 1 1 A 27 27 GLY HA2 H 27 3.631 4.026 -0.395 1
1 232 . 20 1 1 A 28 28 GLN N N 28 118.568 120.667 -2.099 1
1 233 . 20 1 1 A 28 28 GLN H H 28 7.755 8.383 -0.628 1
1 234 . 20 1 1 A 28 28 GLN CA C 28 53.825 56.738 -2.913 1
1 235 . 20 1 1 A 28 28 GLN HA H 28 4.690 4.309 0.381 1
1 236 . 20 1 1 A 28 28 GLN CB C 28 30.975 30.090 0.885 1
1 243 . 20 1 1 A 28 28 GLN C C 28 175.517 174.434 1.083 1
1 246 . 20 1 1 A 29 29 LYS N N 29 123.598 123.685 -0.087 1
1 247 . 20 1 1 A 29 29 LYS H H 29 8.839 8.471 0.368 1
1 248 . 20 1 1 A 29 29 LYS CA C 29 57.587 54.756 2.831 1
1 249 . 20 1 1 A 29 29 LYS HA H 29 4.158 4.638 -0.480 1
1 250 . 20 1 1 A 29 29 LYS CB C 29 32.381 33.636 -1.255 1
1 258 . 20 1 1 A 29 29 LYS C C 29 176.190 174.683 1.507 1
1 263 . 20 1 1 A 30 30 SER N N 30 124.030 123.782 0.248 1
1 264 . 20 1 1 A 30 30 SER H H 30 8.694 8.055 0.639 1
1 265 . 20 1 1 A 30 30 SER CA C 30 57.560 58.966 -1.406 1
1 266 . 20 1 1 A 30 30 SER HA H 30 4.758 4.628 0.130 1
1 267 . 20 1 1 A 30 30 SER CB C 30 64.143 63.154 0.989 1
1 269 . 20 1 1 A 30 30 SER C C 30 173.413 173.992 -0.579 1
1 271 . 20 1 1 A 31 31 SER N N 31 116.828 119.085 -2.257 1
1 272 . 20 1 1 A 31 31 SER H H 31 8.894 8.643 0.251 1
1 273 . 20 1 1 A 31 31 SER CA C 31 57.132 55.778 1.354 1
1 274 . 20 1 1 A 31 31 SER HA H 31 6.181 5.279 0.902 1
1 275 . 20 1 1 A 31 31 SER CB C 31 67.745 66.413 1.332 1
1 277 . 20 1 1 A 31 31 SER C C 31 174.171 173.567 0.604 1
1 279 . 20 1 1 A 32 32 PHE N N 32 117.724 117.556 0.168 1
1 280 . 20 1 1 A 32 32 PHE H H 32 8.853 8.397 0.456 1
1 281 . 20 1 1 A 32 32 PHE CA C 32 57.190 55.950 1.240 1
1 282 . 20 1 1 A 32 32 PHE HA H 32 5.016 5.238 -0.222 1
1 283 . 20 1 1 A 32 32 PHE CB C 32 40.712 42.045 -1.333 1
1 295 . 20 1 1 A 32 32 PHE C C 32 170.765 172.233 -1.468 1
1 297 . 20 1 1 A 33 33 LEU N N 33 121.533 124.244 -2.711 1
1 298 . 20 1 1 A 33 33 LEU H H 33 9.223 8.636 0.587 1
1 299 . 20 1 1 A 33 33 LEU CA C 33 53.636 53.827 -0.191 1
1 300 . 20 1 1 A 33 33 LEU HA H 33 5.531 5.103 0.428 1
1 301 . 20 1 1 A 33 33 LEU CB C 33 46.278 44.953 1.325 1
1 313 . 20 1 1 A 33 33 LEU C C 33 176.559 174.425 2.134 1
1 315 . 20 1 1 A 34 34 VAL N N 34 123.140 126.425 -3.285 1
1 316 . 20 1 1 A 34 34 VAL H H 34 9.257 8.912 0.345 1
1 317 . 20 1 1 A 34 34 VAL CA C 34 61.182 61.298 -0.116 1
1 318 . 20 1 1 A 34 34 VAL HA H 34 4.785 4.726 0.059 1
1 319 . 20 1 1 A 34 34 VAL CB C 34 34.589 33.902 0.687 1
1 329 . 20 1 1 A 34 34 VAL C C 34 174.370 174.051 0.319 1
1 330 . 20 1 1 A 35 35 ASP N N 35 126.353 127.547 -1.194 1
1 331 . 20 1 1 A 35 35 ASP H H 35 9.312 8.842 0.470 1
1 332 . 20 1 1 A 35 35 ASP CA C 35 53.298 54.242 -0.944 1
1 333 . 20 1 1 A 35 35 ASP HA H 35 5.229 5.056 0.173 1
1 334 . 20 1 1 A 35 35 ASP CB C 35 41.538 42.214 -0.676 1
1 336 . 20 1 1 A 35 35 ASP C C 35 176.980 176.192 0.788 1
1 338 . 20 1 1 A 36 36 CYS N N 36 125.342 124.988 0.354 1
1 339 . 20 1 1 A 36 36 CYS H H 36 9.275 8.781 0.494 1
1 340 . 20 1 1 A 36 36 CYS CA C 36 57.367 58.129 -0.762 1
1 341 . 20 1 1 A 36 36 CYS HA H 36 4.374 4.569 -0.195 1
1 342 . 20 1 1 A 36 36 CYS CB C 36 28.369 28.493 -0.124 1
1 344 . 20 1 1 A 36 36 CYS C C 36 177.015 175.232 1.783 1
1 346 . 20 1 1 A 37 37 SER N N 37 119.973 117.620 2.353 1
1 347 . 20 1 1 A 37 37 SER H H 37 9.039 7.979 1.060 1
1 348 . 20 1 1 A 37 37 SER CA C 37 62.787 61.641 1.146 1
1 349 . 20 1 1 A 37 37 SER HA H 37 3.932 4.191 -0.259 1
1 350 . 20 1 1 A 37 37 SER CB C 37 62.982 63.224 -0.242 1
1 352 . 20 1 1 A 37 37 SER C C 37 176.290 176.626 -0.336 1
1 354 . 20 1 1 A 38 38 LYS N N 38 120.815 119.138 1.677 1
1 355 . 20 1 1 A 38 38 LYS H H 38 8.676 8.014 0.662 1
1 356 . 20 1 1 A 38 38 LYS CA C 38 55.123 58.755 -3.632 1
1 357 . 20 1 1 A 38 38 LYS HA H 38 4.730 4.050 0.680 1
1 358 . 20 1 1 A 38 38 LYS CB C 38 32.250 31.930 0.320 1
1 366 . 20 1 1 A 38 38 LYS C C 38 176.385 178.606 -2.221 1
1 371 . 20 1 1 A 39 39 ALA N N 39 121.594 121.871 -0.277 1
1 372 . 20 1 1 A 39 39 ALA H H 39 7.322 7.890 -0.568 1
1 373 . 20 1 1 A 39 39 ALA CA C 39 52.127 54.840 -2.713 1
1 374 . 20 1 1 A 39 39 ALA HA H 39 4.436 4.110 0.326 1
1 375 . 20 1 1 A 39 39 ALA CB C 39 21.347 19.314 2.033 1
1 379 . 20 1 1 A 39 39 ALA C C 39 177.453 177.682 -0.229 1
1 380 . 20 1 1 A 40 40 GLY N N 40 111.873 103.783 8.090 1
1 381 . 20 1 1 A 40 40 GLY H H 40 8.755 7.401 1.354 1
1 382 . 20 1 1 A 40 40 GLY CA C 40 45.619 45.904 -0.285 1
1 383 . 20 1 1 A 40 40 GLY HA3 H 40 4.329 4.299 0.030 1
1 384 . 20 1 1 A 40 40 GLY C C 40 173.801 171.979 1.822 1
1 385 . 20 1 1 A 40 40 GLY HA2 H 40 3.754 4.266 -0.512 1
1 386 . 20 1 1 A 41 41 SER N N 41 117.149 116.860 0.289 1
1 387 . 20 1 1 A 41 41 SER H H 41 8.524 8.325 0.199 1
1 388 . 20 1 1 A 41 41 SER CA C 41 56.849 57.693 -0.844 1
1 389 . 20 1 1 A 41 41 SER HA H 41 5.010 5.013 -0.003 1
1 390 . 20 1 1 A 41 41 SER CB C 41 63.917 64.939 -1.022 1
1 392 . 20 1 1 A 41 41 SER C C 41 172.603 172.284 0.319 1
1 394 . 20 1 1 A 42 42 ASN N N 42 125.590 123.905 1.685 1
1 395 . 20 1 1 A 42 42 ASN H H 42 7.155 8.950 -1.795 1
1 396 . 20 1 1 A 42 42 ASN CA C 42 50.805 52.081 -1.276 1
1 397 . 20 1 1 A 42 42 ASN HA H 42 3.256 4.923 -1.667 1
1 398 . 20 1 1 A 42 42 ASN CB C 42 39.354 41.727 -2.373 1
1 403 . 20 1 1 A 42 42 ASN C C 42 170.908 172.828 -1.920 1
1 405 . 20 1 1 A 43 43 MET N N 43 115.129 119.581 -4.452 1
1 406 . 20 1 1 A 43 43 MET H H 43 8.366 8.335 0.031 1
1 407 . 20 1 1 A 43 43 MET CA C 43 53.424 53.257 0.167 1
1 408 . 20 1 1 A 43 43 MET HA H 43 4.102 5.169 -1.067 1
1 409 . 20 1 1 A 43 43 MET CB C 43 35.572 34.260 1.312 1
1 417 . 20 1 1 A 43 43 MET C C 43 173.140 174.326 -1.186 1
1 420 . 20 1 1 A 44 44 LEU N N 44 128.038 125.137 2.901 1
1 421 . 20 1 1 A 44 44 LEU H H 44 8.300 8.565 -0.265 1
1 422 . 20 1 1 A 44 44 LEU CA C 44 53.806 53.665 0.141 1
1 423 . 20 1 1 A 44 44 LEU HA H 44 5.331 4.973 0.358 1
1 424 . 20 1 1 A 44 44 LEU CB C 44 43.598 43.174 0.424 1
1 436 . 20 1 1 A 44 44 LEU C C 44 175.236 176.087 -0.851 1
1 438 . 20 1 1 A 45 45 LEU N N 45 126.999 122.359 4.640 1
1 439 . 20 1 1 A 45 45 LEU H H 45 9.109 8.601 0.508 1
1 440 . 20 1 1 A 45 45 LEU CA C 45 54.800 52.652 2.148 1
1 441 . 20 1 1 A 45 45 LEU HA H 45 5.135 5.253 -0.118 1
1 442 . 20 1 1 A 45 45 LEU CB C 45 45.499 45.299 0.200 1
1 454 . 20 1 1 A 45 45 LEU C C 45 175.167 175.199 -0.032 1
1 456 . 20 1 1 A 46 46 ILE N N 46 118.172 121.030 -2.858 1
1 457 . 20 1 1 A 46 46 ILE H H 46 7.966 8.795 -0.829 1
1 458 . 20 1 1 A 46 46 ILE CA C 46 58.091 59.507 -1.416 1
1 459 . 20 1 1 A 46 46 ILE HA H 46 5.412 5.194 0.218 1
1 460 . 20 1 1 A 46 46 ILE CB C 46 41.988 41.536 0.452 1
1 472 . 20 1 1 A 46 46 ILE C C 46 174.748 175.631 -0.883 1
1 474 . 20 1 1 A 47 47 GLY N N 47 110.148 115.402 -5.254 1
1 475 . 20 1 1 A 47 47 GLY H H 47 8.554 8.391 0.163 1
1 476 . 20 1 1 A 47 47 GLY CA C 47 46.136 46.098 0.038 1
1 477 . 20 1 1 A 47 47 GLY HA3 H 47 4.604 4.302 0.302 1
1 478 . 20 1 1 A 47 47 GLY C C 47 171.583 173.268 -1.685 1
1 479 . 20 1 1 A 47 47 GLY HA2 H 47 3.933 4.292 -0.359 1
1 480 . 20 1 1 A 48 48 VAL N N 48 120.434 118.139 2.295 1
1 481 . 20 1 1 A 48 48 VAL H H 48 9.048 7.616 1.432 1
1 482 . 20 1 1 A 48 48 VAL CA C 48 61.060 62.307 -1.247 1
1 483 . 20 1 1 A 48 48 VAL HA H 48 5.143 4.060 1.083 1
1 484 . 20 1 1 A 48 48 VAL CB C 48 34.976 32.161 2.815 1
1 494 . 20 1 1 A 48 48 VAL C C 48 175.260 175.431 -0.171 1
1 495 . 20 1 1 A 49 49 HIS N N 49 127.718 126.214 1.504 1
1 496 . 20 1 1 A 49 49 HIS H H 49 9.556 8.746 0.810 1
1 497 . 20 1 1 A 49 49 HIS CA C 49 55.342 54.060 1.282 1
1 498 . 20 1 1 A 49 49 HIS HA H 49 4.987 5.225 -0.238 1
1 499 . 20 1 1 A 49 49 HIS CB C 49 34.476 33.260 1.216 1
1 505 . 20 1 1 A 49 49 HIS C C 49 173.822 173.959 -0.137 1
1 507 . 20 1 1 A 50 50 GLY N N 50 115.577 112.166 3.411 1
1 508 . 20 1 1 A 50 50 GLY H H 50 8.192 8.484 -0.292 1
1 509 . 20 1 1 A 50 50 GLY CA C 50 44.693 46.800 -2.107 1
1 510 . 20 1 1 A 50 50 GLY HA3 H 50 3.247 4.243 -0.996 1
1 511 . 20 1 1 A 50 50 GLY C C 50 171.437 174.065 -2.628 1
1 512 . 20 1 1 A 50 50 GLY HA2 H 50 3.722 4.184 -0.462 1
1 513 . 20 1 1 A 51 51 PRO CA C 51 64.376 64.722 -0.346 1
1 514 . 20 1 1 A 51 51 PRO HA H 51 4.104 4.561 -0.457 1
1 515 . 20 1 1 A 51 51 PRO CB C 51 32.141 31.959 0.182 1
1 521 . 20 1 1 A 51 51 PRO C C 51 177.607 177.552 0.055 1
1 525 . 20 1 1 A 52 52 THR N N 52 109.088 108.412 0.676 1
1 526 . 20 1 1 A 52 52 THR H H 52 8.447 7.833 0.614 1
1 527 . 20 1 1 A 52 52 THR CA C 52 62.861 61.852 1.009 1
1 528 . 20 1 1 A 52 52 THR HA H 52 4.424 4.568 -0.144 1
1 529 . 20 1 1 A 52 52 THR CB C 52 70.329 70.306 0.023 1
1 535 . 20 1 1 A 52 52 THR C C 52 174.926 174.849 0.077 1
1 536 . 20 1 1 A 53 53 THR N N 53 118.915 115.522 3.393 1
1 537 . 20 1 1 A 53 53 THR H H 53 7.983 7.712 0.271 1
1 538 . 20 1 1 A 53 53 THR CA C 53 59.878 59.125 0.753 1
1 539 . 20 1 1 A 53 53 THR HA H 53 4.751 4.781 -0.030 1
1 540 . 20 1 1 A 53 53 THR CB C 53 71.034 72.048 -1.014 1
1 546 . 20 1 1 A 53 53 THR C C 53 172.019 172.004 0.015 1
1 547 . 20 1 1 A 54 54 PRO CA C 54 62.614 62.517 0.097 1
1 548 . 20 1 1 A 54 54 PRO HA H 54 4.629 4.559 0.070 1
1 549 . 20 1 1 A 54 54 PRO CB C 54 32.845 32.167 0.678 1
1 555 . 20 1 1 A 54 54 PRO C C 54 177.751 176.958 0.793 1
1 559 . 20 1 1 A 55 55 CYS N N 55 121.538 120.916 0.622 1
1 560 . 20 1 1 A 55 55 CYS H H 55 8.938 8.702 0.236 1
1 561 . 20 1 1 A 55 55 CYS CA C 55 60.342 60.151 0.191 1
1 562 . 20 1 1 A 55 55 CYS HA H 55 4.563 4.656 -0.093 1
1 563 . 20 1 1 A 55 55 CYS CB C 55 27.534 28.413 -0.879 1
1 565 . 20 1 1 A 55 55 CYS C C 55 174.437 175.886 -1.449 1
1 567 . 20 1 1 A 56 56 GLU N N 56 124.530 123.530 1.000 1
1 568 . 20 1 1 A 56 56 GLU H H 56 8.450 9.112 -0.662 1
1 569 . 20 1 1 A 56 56 GLU CA C 56 59.363 59.178 0.185 1
1 570 . 20 1 1 A 56 56 GLU HA H 56 4.471 4.233 0.238 1
1 571 . 20 1 1 A 56 56 GLU CB C 56 31.217 30.509 0.708 1
1 575 . 20 1 1 A 56 56 GLU C C 56 176.847 176.626 0.221 1
1 578 . 20 1 1 A 57 57 GLU N N 57 114.661 113.961 0.700 1
1 579 . 20 1 1 A 57 57 GLU H H 57 7.478 7.746 -0.268 1
1 580 . 20 1 1 A 57 57 GLU CA C 57 55.551 55.482 0.069 1
1 581 . 20 1 1 A 57 57 GLU HA H 57 5.414 4.684 0.730 1
1 582 . 20 1 1 A 57 57 GLU CB C 57 34.084 31.606 2.478 1
1 586 . 20 1 1 A 57 57 GLU C C 57 174.400 173.841 0.559 1
1 589 . 20 1 1 A 58 58 VAL N N 58 123.611 120.450 3.161 1
1 590 . 20 1 1 A 58 58 VAL H H 58 8.605 8.386 0.219 1
1 591 . 20 1 1 A 58 58 VAL CA C 58 62.048 61.737 0.311 1
1 592 . 20 1 1 A 58 58 VAL HA H 58 4.941 4.727 0.214 1
1 593 . 20 1 1 A 58 58 VAL CB C 58 35.700 34.425 1.275 1
1 603 . 20 1 1 A 58 58 VAL C C 58 174.426 174.909 -0.483 1
1 604 . 20 1 1 A 59 59 SER N N 59 121.592 124.711 -3.119 1
1 605 . 20 1 1 A 59 59 SER H H 59 9.635 9.123 0.512 1
1 606 . 20 1 1 A 59 59 SER CA C 59 57.012 58.175 -1.163 1
1 607 . 20 1 1 A 59 59 SER HA H 59 5.526 5.079 0.447 1
1 608 . 20 1 1 A 59 59 SER CB C 59 65.896 63.755 2.141 1
1 610 . 20 1 1 A 59 59 SER C C 59 172.465 173.984 -1.519 1
1 612 . 20 1 1 A 60 60 MET N N 60 122.508 125.715 -3.207 1
1 613 . 20 1 1 A 60 60 MET H H 60 9.435 9.092 0.343 1
1 614 . 20 1 1 A 60 60 MET CA C 60 54.541 53.793 0.748 1
1 615 . 20 1 1 A 60 60 MET HA H 60 5.352 5.505 -0.153 1
1 616 . 20 1 1 A 60 60 MET CB C 60 37.420 34.443 2.977 1
1 624 . 20 1 1 A 60 60 MET C C 60 174.616 175.044 -0.428 1
1 627 . 20 1 1 A 61 61 LYS N N 61 125.580 124.097 1.483 1
1 628 . 20 1 1 A 61 61 LYS H H 61 8.963 9.039 -0.076 1
1 629 . 20 1 1 A 61 61 LYS CA C 61 54.688 54.738 -0.050 1
1 630 . 20 1 1 A 61 61 LYS HA H 61 5.396 5.074 0.322 1
1 631 . 20 1 1 A 61 61 LYS CB C 61 36.412 36.190 0.222 1
1 639 . 20 1 1 A 61 61 LYS C C 61 175.548 175.102 0.446 1
1 644 . 20 1 1 A 62 62 HIS N N 62 125.822 125.196 0.626 1
1 645 . 20 1 1 A 62 62 HIS H H 62 8.967 8.950 0.017 1
1 646 . 20 1 1 A 62 62 HIS CA C 62 55.674 53.910 1.764 1
1 647 . 20 1 1 A 62 62 HIS HA H 62 4.621 4.723 -0.102 1
1 648 . 20 1 1 A 62 62 HIS CB C 62 29.732 28.527 1.205 1
1 654 . 20 1 1 A 62 62 HIS C C 62 175.912 174.919 0.993 1
1 656 . 20 1 1 A 63 63 VAL N N 63 124.131 124.075 0.056 1
1 657 . 20 1 1 A 63 63 VAL H H 63 8.633 7.823 0.810 1
1 658 . 20 1 1 A 63 63 VAL CA C 63 61.288 64.339 -3.051 1
1 659 . 20 1 1 A 63 63 VAL HA H 63 4.299 3.634 0.665 1
1 660 . 20 1 1 A 63 63 VAL CB C 63 30.964 32.486 -1.522 1
1 670 . 20 1 1 A 63 63 VAL C C 63 175.339 175.426 -0.087 1
1 671 . 20 1 1 A 64 64 GLY N N 64 108.087 109.998 -1.911 1
1 672 . 20 1 1 A 64 64 GLY H H 64 5.406 6.946 -1.540 1
1 673 . 20 1 1 A 64 64 GLY CA C 64 44.979 43.609 1.370 1
1 674 . 20 1 1 A 64 64 GLY HA3 H 64 3.118 3.733 -0.615 1
1 675 . 20 1 1 A 64 64 GLY C C 64 174.125 174.011 0.114 1
1 676 . 20 1 1 A 64 64 GLY HA2 H 64 4.287 3.096 1.191 1
1 677 . 20 1 1 A 65 65 ASN N N 65 118.292 117.141 1.151 1
1 678 . 20 1 1 A 65 65 ASN H H 65 9.260 9.298 -0.038 1
1 679 . 20 1 1 A 65 65 ASN CA C 65 54.643 54.526 0.117 1
1 680 . 20 1 1 A 65 65 ASN HA H 65 4.401 4.412 -0.011 1
1 681 . 20 1 1 A 65 65 ASN CB C 65 37.695 36.873 0.822 1
1 686 . 20 1 1 A 65 65 ASN C C 65 174.079 174.691 -0.612 1
1 688 . 20 1 1 A 66 66 GLN N N 66 111.325 108.984 2.341 1
1 689 . 20 1 1 A 66 66 GLN H H 66 10.512 8.562 1.950 1
1 690 . 20 1 1 A 66 66 GLN CA C 66 57.009 57.397 -0.388 1
1 691 . 20 1 1 A 66 66 GLN HA H 66 3.713 4.002 -0.289 1
1 692 . 20 1 1 A 66 66 GLN CB C 66 24.986 26.791 -1.805 1
1 699 . 20 1 1 A 66 66 GLN C C 66 173.896 174.382 -0.486 1
1 702 . 20 1 1 A 67 67 GLN N N 67 115.692 117.484 -1.792 1
1 703 . 20 1 1 A 67 67 GLN H H 67 7.492 7.709 -0.217 1
1 704 . 20 1 1 A 67 67 GLN CA C 67 54.496 54.566 -0.070 1
1 705 . 20 1 1 A 67 67 GLN HA H 67 5.400 4.928 0.472 1
1 706 . 20 1 1 A 67 67 GLN CB C 67 29.896 31.069 -1.173 1
1 713 . 20 1 1 A 67 67 GLN C C 67 175.043 174.099 0.944 1
1 716 . 20 1 1 A 68 68 TYR N N 68 121.249 121.952 -0.703 1
1 717 . 20 1 1 A 68 68 TYR H H 68 9.573 8.958 0.615 1
1 718 . 20 1 1 A 68 68 TYR CA C 68 56.443 56.637 -0.194 1
1 719 . 20 1 1 A 68 68 TYR HA H 68 5.417 5.131 0.286 1
1 720 . 20 1 1 A 68 68 TYR CB C 68 41.249 40.516 0.733 1
1 730 . 20 1 1 A 68 68 TYR C C 68 174.846 174.662 0.184 1
1 732 . 20 1 1 A 69 69 ASN N N 69 122.429 123.707 -1.278 1
1 733 . 20 1 1 A 69 69 ASN H H 69 9.354 9.266 0.088 1
1 734 . 20 1 1 A 69 69 ASN CA C 69 52.454 52.676 -0.222 1
1 735 . 20 1 1 A 69 69 ASN HA H 69 5.260 4.845 0.415 1
1 736 . 20 1 1 A 69 69 ASN CB C 69 40.922 39.514 1.408 1
1 741 . 20 1 1 A 69 69 ASN C C 69 174.835 174.201 0.634 1
1 743 . 20 1 1 A 70 70 VAL N N 70 131.599 125.991 5.608 1
1 744 . 20 1 1 A 70 70 VAL H H 70 9.157 8.216 0.941 1
1 745 . 20 1 1 A 70 70 VAL CA C 70 60.900 60.899 0.001 1
1 746 . 20 1 1 A 70 70 VAL HA H 70 4.910 4.992 -0.082 1
1 747 . 20 1 1 A 70 70 VAL CB C 70 31.882 33.874 -1.992 1
1 757 . 20 1 1 A 70 70 VAL C C 70 174.368 174.355 0.013 1
1 758 . 20 1 1 A 71 71 THR N N 71 119.213 122.462 -3.249 1
1 759 . 20 1 1 A 71 71 THR H H 71 8.996 8.718 0.278 1
1 760 . 20 1 1 A 71 71 THR CA C 71 59.796 61.320 -1.524 1
1 761 . 20 1 1 A 71 71 THR HA H 71 5.614 5.183 0.431 1
1 762 . 20 1 1 A 71 71 THR CB C 71 72.339 71.031 1.308 1
1 768 . 20 1 1 A 71 71 THR C C 71 173.260 173.387 -0.127 1
1 769 . 20 1 1 A 72 72 TYR N N 72 121.105 121.902 -0.797 1
1 770 . 20 1 1 A 72 72 TYR H H 72 9.200 8.498 0.702 1
1 771 . 20 1 1 A 72 72 TYR CA C 72 56.112 55.436 0.676 1
1 772 . 20 1 1 A 72 72 TYR HA H 72 5.600 5.547 0.053 1
1 773 . 20 1 1 A 72 72 TYR CB C 72 41.878 41.349 0.529 1
1 783 . 20 1 1 A 72 72 TYR C C 72 173.176 173.292 -0.116 1
1 785 . 20 1 1 A 73 73 VAL N N 73 118.799 119.585 -0.786 1
1 786 . 20 1 1 A 73 73 VAL H H 73 8.214 8.793 -0.579 1
1 787 . 20 1 1 A 73 73 VAL CA C 73 61.111 61.494 -0.383 1
1 788 . 20 1 1 A 73 73 VAL HA H 73 4.514 4.779 -0.265 1
1 789 . 20 1 1 A 73 73 VAL CB C 73 35.729 35.476 0.253 1
1 799 . 20 1 1 A 73 73 VAL C C 73 175.529 175.100 0.429 1
1 800 . 20 1 1 A 74 74 VAL N N 74 121.061 122.923 -1.862 1
1 801 . 20 1 1 A 74 74 VAL H H 74 8.947 8.784 0.163 1
1 802 . 20 1 1 A 74 74 VAL CA C 74 59.858 59.860 -0.002 1
1 803 . 20 1 1 A 74 74 VAL HA H 74 4.785 4.864 -0.079 1
1 804 . 20 1 1 A 74 74 VAL CB C 74 32.795 34.161 -1.366 1
1 814 . 20 1 1 A 74 74 VAL C C 74 176.022 175.786 0.236 1
1 815 . 20 1 1 A 75 75 LYS N N 75 120.273 124.764 -4.491 1
1 816 . 20 1 1 A 75 75 LYS H H 75 9.404 9.000 0.404 1
1 817 . 20 1 1 A 75 75 LYS CA C 75 55.705 57.442 -1.737 1
1 818 . 20 1 1 A 75 75 LYS HA H 75 4.653 4.353 0.300 1
1 819 . 20 1 1 A 75 75 LYS CB C 75 34.767 33.935 0.832 1
1 827 . 20 1 1 A 75 75 LYS C C 75 175.025 175.608 -0.583 1
1 832 . 20 1 1 A 76 76 GLU N N 76 117.540 118.544 -1.004 1
1 833 . 20 1 1 A 76 76 GLU H H 76 7.224 7.835 -0.611 1
1 834 . 20 1 1 A 76 76 GLU CA C 76 54.893 54.673 0.220 1
1 835 . 20 1 1 A 76 76 GLU HA H 76 4.747 4.930 -0.183 1
1 836 . 20 1 1 A 76 76 GLU CB C 76 33.199 33.193 0.006 1
1 840 . 20 1 1 A 76 76 GLU C C 76 175.664 175.715 -0.051 1
1 843 . 20 1 1 A 77 77 ARG N N 77 125.564 121.351 4.213 1
1 844 . 20 1 1 A 77 77 ARG H H 77 8.906 8.569 0.337 1
1 845 . 20 1 1 A 77 77 ARG CA C 77 56.610 54.587 2.023 1
1 846 . 20 1 1 A 77 77 ARG HA H 77 4.234 5.115 -0.881 1
1 847 . 20 1 1 A 77 77 ARG CB C 77 31.036 32.620 -1.584 1
1 855 . 20 1 1 A 77 77 ARG C C 77 174.779 175.296 -0.517 1
1 859 . 20 1 1 A 78 78 GLY N N 78 108.773 107.307 1.466 1
1 860 . 20 1 1 A 78 78 GLY H H 78 8.928 8.514 0.414 1
1 861 . 20 1 1 A 78 78 GLY CA C 78 44.418 43.898 0.520 1
1 862 . 20 1 1 A 78 78 GLY HA3 H 78 3.770 4.172 -0.402 1
1 863 . 20 1 1 A 78 78 GLY C C 78 171.452 173.288 -1.836 1
1 864 . 20 1 1 A 78 78 GLY HA2 H 78 4.467 4.115 0.352 1
1 865 . 20 1 1 A 79 79 ASP N N 79 120.109 119.532 0.577 1
1 866 . 20 1 1 A 79 79 ASP H H 79 8.070 8.341 -0.271 1
1 867 . 20 1 1 A 79 79 ASP CA C 79 54.204 53.246 0.958 1
1 868 . 20 1 1 A 79 79 ASP HA H 79 5.344 5.197 0.147 1
1 869 . 20 1 1 A 79 79 ASP CB C 79 42.148 41.513 0.635 1
1 871 . 20 1 1 A 79 79 ASP C C 79 175.474 175.224 0.250 1
1 873 . 20 1 1 A 80 80 TYR N N 80 121.969 123.521 -1.552 1
1 874 . 20 1 1 A 80 80 TYR H H 80 9.412 9.314 0.098 1
1 875 . 20 1 1 A 80 80 TYR CA C 80 56.872 56.688 0.184 1
1 876 . 20 1 1 A 80 80 TYR HA H 80 4.821 5.187 -0.366 1
1 877 . 20 1 1 A 80 80 TYR CB C 80 41.557 41.363 0.194 1
1 887 . 20 1 1 A 80 80 TYR C C 80 175.552 175.074 0.478 1
1 889 . 20 1 1 A 81 81 VAL N N 81 121.669 121.297 0.372 1
1 890 . 20 1 1 A 81 81 VAL H H 81 8.688 9.037 -0.349 1
1 891 . 20 1 1 A 81 81 VAL CA C 81 61.217 61.403 -0.186 1
1 892 . 20 1 1 A 81 81 VAL HA H 81 4.606 4.854 -0.248 1
1 893 . 20 1 1 A 81 81 VAL CB C 81 33.990 33.664 0.326 1
1 903 . 20 1 1 A 81 81 VAL C C 81 173.568 173.878 -0.310 1
1 904 . 20 1 1 A 82 82 LEU N N 82 129.806 130.305 -0.499 1
1 905 . 20 1 1 A 82 82 LEU H H 82 8.873 8.805 0.068 1
1 906 . 20 1 1 A 82 82 LEU CA C 82 53.321 53.812 -0.491 1
1 907 . 20 1 1 A 82 82 LEU HA H 82 5.150 5.003 0.147 1
1 908 . 20 1 1 A 82 82 LEU CB C 82 44.594 44.199 0.395 1
1 920 . 20 1 1 A 82 82 LEU C C 82 174.427 174.684 -0.257 1
1 922 . 20 1 1 A 83 83 ALA N N 83 128.482 129.081 -0.599 1
1 923 . 20 1 1 A 83 83 ALA H H 83 9.294 9.040 0.254 1
1 924 . 20 1 1 A 83 83 ALA CA C 83 50.133 50.361 -0.228 1
1 925 . 20 1 1 A 83 83 ALA HA H 83 5.081 5.294 -0.213 1
1 926 . 20 1 1 A 83 83 ALA CB C 83 21.500 20.945 0.555 1
1 930 . 20 1 1 A 83 83 ALA C C 83 174.991 175.928 -0.937 1
1 931 . 20 1 1 A 84 84 VAL N N 84 121.691 124.012 -2.321 1
1 932 . 20 1 1 A 84 84 VAL H H 84 9.222 8.937 0.285 1
1 933 . 20 1 1 A 84 84 VAL CA C 84 61.324 61.326 -0.002 1
1 934 . 20 1 1 A 84 84 VAL HA H 84 4.785 4.785 0.000 1
1 935 . 20 1 1 A 84 84 VAL CB C 84 34.116 33.788 0.328 1
1 945 . 20 1 1 A 84 84 VAL C C 84 174.156 174.730 -0.574 1
1 946 . 20 1 1 A 85 85 LYS N N 85 124.020 126.399 -2.379 1
1 947 . 20 1 1 A 85 85 LYS H H 85 9.193 8.519 0.674 1
1 948 . 20 1 1 A 85 85 LYS CA C 85 54.222 54.345 -0.123 1
1 949 . 20 1 1 A 85 85 LYS HA H 85 4.958 5.150 -0.192 1
1 950 . 20 1 1 A 85 85 LYS CB C 85 34.814 35.670 -0.856 1
1 958 . 20 1 1 A 85 85 LYS C C 85 173.704 175.061 -1.357 1
1 963 . 20 1 1 A 86 86 TRP N N 86 123.429 124.449 -1.020 1
1 964 . 20 1 1 A 86 86 TRP H H 86 8.623 8.894 -0.271 1
1 965 . 20 1 1 A 86 86 TRP CA C 86 53.803 56.688 -2.885 1
1 966 . 20 1 1 A 86 86 TRP HA H 86 5.583 4.913 0.670 1
1 967 . 20 1 1 A 86 86 TRP CB C 86 32.084 31.755 0.329 1
1 981 . 20 1 1 A 86 86 TRP C C 86 176.916 175.827 1.089 1
1 983 . 20 1 1 A 87 87 GLY N N 87 116.722 114.757 1.965 1
1 984 . 20 1 1 A 87 87 GLY H H 87 8.782 8.548 0.234 1
1 985 . 20 1 1 A 87 87 GLY CA C 87 46.432 46.701 -0.269 1
1 986 . 20 1 1 A 87 87 GLY HA3 H 87 3.152 3.598 -0.446 1
1 987 . 20 1 1 A 87 87 GLY C C 87 173.838 174.085 -0.247 1
1 988 . 20 1 1 A 87 87 GLY HA2 H 87 3.732 3.418 0.314 1
1 989 . 20 1 1 A 88 88 GLU N N 88 122.405 110.572 11.833 1
1 990 . 20 1 1 A 88 88 GLU H H 88 8.592 8.419 0.173 1
1 991 . 20 1 1 A 88 88 GLU CA C 88 56.004 57.632 -1.628 1
1 992 . 20 1 1 A 88 88 GLU HA H 88 4.057 3.814 0.243 1
1 993 . 20 1 1 A 88 88 GLU CB C 88 29.764 27.430 2.334 1
1 997 . 20 1 1 A 88 88 GLU C C 88 176.465 174.869 1.596 1
1 1000 . 20 1 1 A 89 89 GLU N N 89 117.358 117.306 0.052 1
1 1001 . 20 1 1 A 89 89 GLU H H 89 7.226 7.566 -0.340 1
1 1002 . 20 1 1 A 89 89 GLU CA C 89 54.921 54.779 0.142 1
1 1003 . 20 1 1 A 89 89 GLU HA H 89 4.580 5.148 -0.568 1
1 1004 . 20 1 1 A 89 89 GLU CB C 89 33.160 34.320 -1.160 1
1 1008 . 20 1 1 A 89 89 GLU C C 89 175.674 175.113 0.561 1
1 1011 . 20 1 1 A 90 90 HIS N N 90 122.210 116.432 5.778 1
1 1012 . 20 1 1 A 90 90 HIS H H 90 8.603 8.775 -0.172 1
1 1013 . 20 1 1 A 90 90 HIS CA C 90 58.321 54.509 3.812 1
1 1014 . 20 1 1 A 90 90 HIS HA H 90 4.343 5.165 -0.822 1
1 1015 . 20 1 1 A 90 90 HIS CB C 90 32.786 31.948 0.838 1
1 1021 . 20 1 1 A 90 90 HIS C C 90 177.001 175.268 1.733 1
1 1023 . 20 1 1 A 91 91 ILE N N 91 117.760 122.445 -4.685 1
1 1024 . 20 1 1 A 91 91 ILE H H 91 8.289 8.168 0.121 1
1 1025 . 20 1 1 A 91 91 ILE CA C 91 61.019 60.239 0.780 1
1 1026 . 20 1 1 A 91 91 ILE HA H 91 4.482 4.232 0.250 1
1 1027 . 20 1 1 A 91 91 ILE CB C 91 35.655 37.832 -2.177 1
1 1039 . 20 1 1 A 91 91 ILE C C 91 173.231 175.448 -2.217 1
1 1041 . 20 1 1 A 92 92 PRO CA C 92 65.378 63.261 2.117 1
1 1042 . 20 1 1 A 92 92 PRO HA H 92 4.207 4.431 -0.224 1
1 1043 . 20 1 1 A 92 92 PRO CB C 92 31.301 30.832 0.469 1
1 1049 . 20 1 1 A 92 92 PRO C C 92 177.559 177.341 0.218 1
1 1053 . 20 1 1 A 93 93 GLY N N 93 115.174 112.952 2.222 1
1 1054 . 20 1 1 A 93 93 GLY H H 93 8.291 8.218 0.073 1
1 1055 . 20 1 1 A 93 93 GLY CA C 93 44.729 44.895 -0.166 1
1 1056 . 20 1 1 A 93 93 GLY HA3 H 93 3.122 3.739 -0.617 1
1 1057 . 20 1 1 A 93 93 GLY C C 93 171.695 173.643 -1.948 1
1 1058 . 20 1 1 A 93 93 GLY HA2 H 93 4.116 3.650 0.466 1
1 1059 . 20 1 1 A 94 94 SER N N 94 112.948 116.959 -4.011 1
1 1060 . 20 1 1 A 94 94 SER H H 94 7.612 7.353 0.259 1
1 1061 . 20 1 1 A 94 94 SER CA C 94 54.585 55.138 -0.553 1
1 1062 . 20 1 1 A 94 94 SER HA H 94 4.002 4.435 -0.433 1
1 1063 . 20 1 1 A 94 94 SER CB C 94 62.348 64.588 -2.240 1
1 1065 . 20 1 1 A 94 94 SER C C 94 174.321 172.736 1.585 1
1 1067 . 20 1 1 A 95 95 PRO CA C 95 62.338 62.673 -0.335 1
1 1068 . 20 1 1 A 95 95 PRO HA H 95 5.296 4.835 0.461 1
1 1069 . 20 1 1 A 95 95 PRO CB C 95 33.730 32.714 1.016 1
1 1075 . 20 1 1 A 95 95 PRO C C 95 175.728 176.888 -1.160 1
1 1079 . 20 1 1 A 96 96 PHE N N 96 124.415 121.065 3.350 1
1 1080 . 20 1 1 A 96 96 PHE H H 96 9.643 8.562 1.081 1
1 1081 . 20 1 1 A 96 96 PHE CA C 96 57.405 57.795 -0.390 1
1 1082 . 20 1 1 A 96 96 PHE HA H 96 4.474 4.836 -0.362 1
1 1083 . 20 1 1 A 96 96 PHE CB C 96 40.160 39.850 0.310 1
1 1095 . 20 1 1 A 96 96 PHE C C 96 175.736 175.351 0.385 1
1 1097 . 20 1 1 A 97 97 HIS N N 97 121.364 122.069 -0.705 1
1 1098 . 20 1 1 A 97 97 HIS H H 97 8.898 8.978 -0.080 1
1 1099 . 20 1 1 A 97 97 HIS CA C 97 55.214 54.516 0.698 1
1 1100 . 20 1 1 A 97 97 HIS HA H 97 5.124 5.158 -0.034 1
1 1101 . 20 1 1 A 97 97 HIS CB C 97 29.981 31.250 -1.269 1
1 1107 . 20 1 1 A 97 97 HIS C C 97 173.895 173.173 0.722 1
1 1109 . 20 1 1 A 98 98 VAL N N 98 127.912 129.032 -1.120 1
1 1110 . 20 1 1 A 98 98 VAL H H 98 8.582 8.939 -0.357 1
1 1111 . 20 1 1 A 98 98 VAL CA C 98 61.467 61.762 -0.295 1
1 1112 . 20 1 1 A 98 98 VAL HA H 98 4.096 4.619 -0.523 1
1 1113 . 20 1 1 A 98 98 VAL CB C 98 35.455 32.535 2.920 1
1 1123 . 20 1 1 A 98 98 VAL C C 98 174.874 175.280 -0.406 1
1 1124 . 20 1 1 A 99 99 THR N N 99 123.090 124.348 -1.258 1
1 1125 . 20 1 1 A 99 99 THR H H 99 8.117 8.505 -0.388 1
1 1126 . 20 1 1 A 99 99 THR CA C 99 62.031 61.700 0.331 1
1 1127 . 20 1 1 A 99 99 THR HA H 99 4.852 4.892 -0.040 1
1 1128 . 20 1 1 A 99 99 THR CB C 99 70.661 69.855 0.806 1
1 1134 . 20 1 1 A 99 99 THR C C 99 173.264 173.955 -0.691 1
1 1135 . 20 1 1 A 100 100 VAL N N 100 129.827 126.976 2.851 1
1 1136 . 20 1 1 A 100 100 VAL H H 100 8.812 8.685 0.127 1
1 1137 . 20 1 1 A 100 100 VAL CA C 100 58.577 59.079 -0.502 1
1 1138 . 20 1 1 A 100 100 VAL HA H 100 5.053 4.801 0.252 1
1 1139 . 20 1 1 A 100 100 VAL CB C 100 33.365 32.889 0.476 1
1 1149 . 20 1 1 A 100 100 VAL C C 100 174.927 174.696 0.231 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 95 1.136 1
2 1 1 1 "RMS(OBS, PRED)" CA 95 1.178 1
3 1 1 1 "RMS(OBS, PRED)" CB 84 1.294 1
4 1 1 1 "RMS(OBS, PRED)" H 89 0.593 1
5 1 1 1 "RMS(OBS, PRED)" HA 106 0.440 1
6 1 1 1 "RMS(OBS, PRED)" N 89 3.533 1
7 1 2 1 "RMS(OBS, PRED)" C 95 1.197 1
8 1 2 1 "RMS(OBS, PRED)" CA 95 1.211 1
9 1 2 1 "RMS(OBS, PRED)" CB 84 1.358 1
10 1 2 1 "RMS(OBS, PRED)" H 89 0.615 1
11 1 2 1 "RMS(OBS, PRED)" HA 106 0.446 1
12 1 2 1 "RMS(OBS, PRED)" N 89 3.514 1
13 1 3 1 "RMS(OBS, PRED)" C 95 1.171 1
14 1 3 1 "RMS(OBS, PRED)" CA 95 1.249 1
15 1 3 1 "RMS(OBS, PRED)" CB 84 1.277 1
16 1 3 1 "RMS(OBS, PRED)" H 89 0.592 1
17 1 3 1 "RMS(OBS, PRED)" HA 106 0.455 1
18 1 3 1 "RMS(OBS, PRED)" N 89 3.575 1
19 1 4 1 "RMS(OBS, PRED)" C 95 1.200 1
20 1 4 1 "RMS(OBS, PRED)" CA 95 1.224 1
21 1 4 1 "RMS(OBS, PRED)" CB 84 1.278 1
22 1 4 1 "RMS(OBS, PRED)" H 89 0.600 1
23 1 4 1 "RMS(OBS, PRED)" HA 106 0.443 1
24 1 4 1 "RMS(OBS, PRED)" N 89 3.519 1
25 1 5 1 "RMS(OBS, PRED)" C 95 1.127 1
26 1 5 1 "RMS(OBS, PRED)" CA 95 1.136 1
27 1 5 1 "RMS(OBS, PRED)" CB 84 1.333 1
28 1 5 1 "RMS(OBS, PRED)" H 89 0.584 1
29 1 5 1 "RMS(OBS, PRED)" HA 106 0.431 1
30 1 5 1 "RMS(OBS, PRED)" N 89 3.735 1
31 1 6 1 "RMS(OBS, PRED)" C 95 1.176 1
32 1 6 1 "RMS(OBS, PRED)" CA 95 1.199 1
33 1 6 1 "RMS(OBS, PRED)" CB 84 1.379 1
34 1 6 1 "RMS(OBS, PRED)" H 89 0.592 1
35 1 6 1 "RMS(OBS, PRED)" HA 106 0.453 1
36 1 6 1 "RMS(OBS, PRED)" N 89 3.569 1
37 1 7 1 "RMS(OBS, PRED)" C 95 1.183 1
38 1 7 1 "RMS(OBS, PRED)" CA 95 1.227 1
39 1 7 1 "RMS(OBS, PRED)" CB 84 1.343 1
40 1 7 1 "RMS(OBS, PRED)" H 89 0.597 1
41 1 7 1 "RMS(OBS, PRED)" HA 106 0.444 1
42 1 7 1 "RMS(OBS, PRED)" N 89 3.575 1
43 1 8 1 "RMS(OBS, PRED)" C 95 1.160 1
44 1 8 1 "RMS(OBS, PRED)" CA 95 1.198 1
45 1 8 1 "RMS(OBS, PRED)" CB 84 1.249 1
46 1 8 1 "RMS(OBS, PRED)" H 89 0.584 1
47 1 8 1 "RMS(OBS, PRED)" HA 106 0.437 1
48 1 8 1 "RMS(OBS, PRED)" N 89 3.549 1
49 1 9 1 "RMS(OBS, PRED)" C 95 1.139 1
50 1 9 1 "RMS(OBS, PRED)" CA 95 1.250 1
51 1 9 1 "RMS(OBS, PRED)" CB 84 1.283 1
52 1 9 1 "RMS(OBS, PRED)" H 89 0.592 1
53 1 9 1 "RMS(OBS, PRED)" HA 106 0.447 1
54 1 9 1 "RMS(OBS, PRED)" N 89 3.518 1
55 1 10 1 "RMS(OBS, PRED)" C 95 1.159 1
56 1 10 1 "RMS(OBS, PRED)" CA 95 1.170 1
57 1 10 1 "RMS(OBS, PRED)" CB 84 1.311 1
58 1 10 1 "RMS(OBS, PRED)" H 89 0.606 1
59 1 10 1 "RMS(OBS, PRED)" HA 106 0.410 1
60 1 10 1 "RMS(OBS, PRED)" N 89 3.620 1
61 1 11 1 "RMS(OBS, PRED)" C 95 1.193 1
62 1 11 1 "RMS(OBS, PRED)" CA 95 1.259 1
63 1 11 1 "RMS(OBS, PRED)" CB 84 1.349 1
64 1 11 1 "RMS(OBS, PRED)" H 89 0.586 1
65 1 11 1 "RMS(OBS, PRED)" HA 106 0.469 1
66 1 11 1 "RMS(OBS, PRED)" N 89 3.475 1
67 1 12 1 "RMS(OBS, PRED)" C 95 1.185 1
68 1 12 1 "RMS(OBS, PRED)" CA 95 1.245 1
69 1 12 1 "RMS(OBS, PRED)" CB 84 1.319 1
70 1 12 1 "RMS(OBS, PRED)" H 89 0.568 1
71 1 12 1 "RMS(OBS, PRED)" HA 106 0.433 1
72 1 12 1 "RMS(OBS, PRED)" N 89 3.513 1
73 1 13 1 "RMS(OBS, PRED)" C 95 1.165 1
74 1 13 1 "RMS(OBS, PRED)" CA 95 1.264 1
75 1 13 1 "RMS(OBS, PRED)" CB 84 1.222 1
76 1 13 1 "RMS(OBS, PRED)" H 89 0.591 1
77 1 13 1 "RMS(OBS, PRED)" HA 106 0.444 1
78 1 13 1 "RMS(OBS, PRED)" N 89 3.443 1
79 1 14 1 "RMS(OBS, PRED)" C 95 1.187 1
80 1 14 1 "RMS(OBS, PRED)" CA 95 1.166 1
81 1 14 1 "RMS(OBS, PRED)" CB 84 1.338 1
82 1 14 1 "RMS(OBS, PRED)" H 89 0.601 1
83 1 14 1 "RMS(OBS, PRED)" HA 106 0.455 1
84 1 14 1 "RMS(OBS, PRED)" N 89 3.498 1
85 1 15 1 "RMS(OBS, PRED)" C 95 1.115 1
86 1 15 1 "RMS(OBS, PRED)" CA 95 1.236 1
87 1 15 1 "RMS(OBS, PRED)" CB 84 1.315 1
88 1 15 1 "RMS(OBS, PRED)" H 89 0.597 1
89 1 15 1 "RMS(OBS, PRED)" HA 106 0.436 1
90 1 15 1 "RMS(OBS, PRED)" N 89 3.308 1
91 1 16 1 "RMS(OBS, PRED)" C 95 1.231 1
92 1 16 1 "RMS(OBS, PRED)" CA 95 1.283 1
93 1 16 1 "RMS(OBS, PRED)" CB 84 1.278 1
94 1 16 1 "RMS(OBS, PRED)" H 89 0.613 1
95 1 16 1 "RMS(OBS, PRED)" HA 106 0.442 1
96 1 16 1 "RMS(OBS, PRED)" N 89 3.582 1
97 1 17 1 "RMS(OBS, PRED)" C 95 1.131 1
98 1 17 1 "RMS(OBS, PRED)" CA 95 1.221 1
99 1 17 1 "RMS(OBS, PRED)" CB 84 1.300 1
100 1 17 1 "RMS(OBS, PRED)" H 89 0.554 1
101 1 17 1 "RMS(OBS, PRED)" HA 106 0.424 1
102 1 17 1 "RMS(OBS, PRED)" N 89 3.664 1
103 1 18 1 "RMS(OBS, PRED)" C 95 1.215 1
104 1 18 1 "RMS(OBS, PRED)" CA 95 1.327 1
105 1 18 1 "RMS(OBS, PRED)" CB 84 1.277 1
106 1 18 1 "RMS(OBS, PRED)" H 89 0.613 1
107 1 18 1 "RMS(OBS, PRED)" HA 106 0.457 1
108 1 18 1 "RMS(OBS, PRED)" N 89 3.417 1
109 1 19 1 "RMS(OBS, PRED)" C 95 1.132 1
110 1 19 1 "RMS(OBS, PRED)" CA 95 1.161 1
111 1 19 1 "RMS(OBS, PRED)" CB 84 1.342 1
112 1 19 1 "RMS(OBS, PRED)" H 89 0.596 1
113 1 19 1 "RMS(OBS, PRED)" HA 106 0.443 1
114 1 19 1 "RMS(OBS, PRED)" N 89 3.534 1
115 1 20 1 "RMS(OBS, PRED)" C 95 1.120 1
116 1 20 1 "RMS(OBS, PRED)" CA 95 1.265 1
117 1 20 1 "RMS(OBS, PRED)" CB 84 1.275 1
118 1 20 1 "RMS(OBS, PRED)" H 89 0.609 1
119 1 20 1 "RMS(OBS, PRED)" HA 106 0.434 1
120 1 20 1 "RMS(OBS, PRED)" N 89 3.247 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 1 . 1 1 A 6 6 SER CA C 6 58.666 58.538 0.128 2
1 2 . 1 1 A 6 6 SER HA H 6 4.514 4.744 -0.230 2
1 3 . 1 1 A 6 6 SER CB C 6 63.933 64.702 -0.769 2
1 5 . 1 1 A 6 6 SER C C 6 175.074 174.100 0.974 2
1 7 . 1 1 A 7 7 GLY N N 7 110.792 110.428 0.364 2
1 8 . 1 1 A 7 7 GLY H H 7 8.450 8.432 0.018 2
1 9 . 1 1 A 7 7 GLY CA C 7 45.406 45.457 -0.051 2
1 10 . 1 1 A 7 7 GLY HA3 H 7 4.052 4.115 -0.063 2
1 11 . 1 1 A 7 7 GLY C C 7 174.270 173.423 0.847 2
1 12 . 1 1 A 7 7 GLY HA2 H 7 4.052 4.107 -0.056 2
1 13 . 1 1 A 8 8 SER N N 8 115.558 116.749 -1.191 2
1 14 . 1 1 A 8 8 SER H H 8 8.274 8.520 -0.246 2
1 15 . 1 1 A 8 8 SER CA C 8 58.332 58.276 0.056 2
1 16 . 1 1 A 8 8 SER HA H 8 4.557 4.679 -0.122 2
1 17 . 1 1 A 8 8 SER CB C 8 63.930 63.591 0.339 2
1 19 . 1 1 A 8 8 SER C C 8 174.064 173.688 0.376 2
1 21 . 1 1 A 9 9 SER N N 9 116.801 119.797 -2.996 2
1 22 . 1 1 A 9 9 SER H H 9 8.227 8.497 -0.270 2
1 23 . 1 1 A 9 9 SER CA C 9 58.075 58.219 -0.144 2
1 24 . 1 1 A 9 9 SER HA H 9 5.001 5.109 -0.108 2
1 25 . 1 1 A 9 9 SER CB C 9 64.491 64.436 0.055 2
1 27 . 1 1 A 9 9 SER C C 9 174.318 173.266 1.052 2
1 29 . 1 1 A 10 10 ASP N N 10 122.324 126.368 -4.044 2
1 30 . 1 1 A 10 10 ASP H H 10 8.262 8.972 -0.710 2
1 31 . 1 1 A 10 10 ASP CA C 10 53.833 53.220 0.613 2
1 32 . 1 1 A 10 10 ASP HA H 10 4.892 5.183 -0.291 2
1 33 . 1 1 A 10 10 ASP CB C 10 41.497 43.108 -1.611 2
1 35 . 1 1 A 10 10 ASP C C 10 176.306 176.284 0.022 2
1 37 . 1 1 A 11 11 ALA N N 11 126.255 127.023 -0.768 2
1 38 . 1 1 A 11 11 ALA H H 11 9.091 8.878 0.213 2
1 39 . 1 1 A 11 11 ALA CA C 11 54.713 54.699 0.014 2
1 40 . 1 1 A 11 11 ALA HA H 11 4.056 4.224 -0.168 2
1 41 . 1 1 A 11 11 ALA CB C 11 20.177 19.039 1.138 2
1 45 . 1 1 A 11 11 ALA C C 11 177.950 179.432 -1.482 2
1 46 . 1 1 A 12 12 SER N N 12 110.658 113.810 -3.152 2
1 47 . 1 1 A 12 12 SER H H 12 8.224 8.026 0.198 2
1 48 . 1 1 A 12 12 SER CA C 12 60.857 61.371 -0.514 2
1 49 . 1 1 A 12 12 SER HA H 12 4.240 4.199 0.041 2
1 50 . 1 1 A 12 12 SER CB C 12 62.964 63.071 -0.107 2
1 52 . 1 1 A 12 12 SER C C 12 175.312 176.114 -0.802 2
1 54 . 1 1 A 13 13 LYS N N 13 119.063 118.117 0.946 2
1 55 . 1 1 A 13 13 LYS H H 13 7.349 7.745 -0.396 2
1 56 . 1 1 A 13 13 LYS CA C 13 54.948 57.695 -2.747 2
1 57 . 1 1 A 13 13 LYS HA H 13 4.293 4.348 -0.055 2
1 58 . 1 1 A 13 13 LYS CB C 13 33.037 33.048 -0.011 2
1 66 . 1 1 A 13 13 LYS C C 13 177.263 177.424 -0.161 2
1 71 . 1 1 A 14 14 VAL N N 14 124.317 120.470 3.847 2
1 72 . 1 1 A 14 14 VAL H H 14 7.500 7.379 0.121 2
1 73 . 1 1 A 14 14 VAL CA C 14 63.797 63.021 0.776 2
1 74 . 1 1 A 14 14 VAL HA H 14 3.870 3.754 0.116 2
1 75 . 1 1 A 14 14 VAL CB C 14 31.996 31.351 0.645 2
1 85 . 1 1 A 14 14 VAL C C 14 175.873 175.305 0.568 2
1 86 . 1 1 A 15 15 THR N N 15 117.704 118.860 -1.156 2
1 87 . 1 1 A 15 15 THR H H 15 8.197 8.502 -0.305 2
1 88 . 1 1 A 15 15 THR CA C 15 59.805 59.555 0.250 2
1 89 . 1 1 A 15 15 THR HA H 15 4.911 5.290 -0.379 2
1 90 . 1 1 A 15 15 THR CB C 15 71.373 71.706 -0.333 2
1 96 . 1 1 A 15 15 THR C C 15 172.695 173.964 -1.269 2
1 97 . 1 1 A 16 16 SER N N 16 113.256 117.192 -3.936 2
1 98 . 1 1 A 16 16 SER H H 16 8.442 9.074 -0.632 2
1 99 . 1 1 A 16 16 SER CA C 16 57.155 56.462 0.693 2
1 100 . 1 1 A 16 16 SER HA H 16 5.564 5.520 0.044 2
1 101 . 1 1 A 16 16 SER CB C 16 66.124 65.869 0.255 2
1 103 . 1 1 A 16 16 SER C C 16 173.455 173.602 -0.147 2
1 105 . 1 1 A 17 17 LYS N N 17 117.543 120.463 -2.920 2
1 106 . 1 1 A 17 17 LYS H H 17 8.870 8.901 -0.031 2
1 107 . 1 1 A 17 17 LYS CA C 17 56.063 54.351 1.712 2
1 108 . 1 1 A 17 17 LYS HA H 17 4.673 5.135 -0.462 2
1 109 . 1 1 A 17 17 LYS CB C 17 35.602 36.262 -0.660 2
1 117 . 1 1 A 17 17 LYS C C 17 174.625 175.064 -0.439 2
1 122 . 1 1 A 18 18 GLY N N 18 110.702 107.834 2.868 2
1 123 . 1 1 A 18 18 GLY H H 18 8.746 8.501 0.245 2
1 124 . 1 1 A 18 18 GLY CA C 18 44.501 44.471 0.030 2
1 125 . 1 1 A 18 18 GLY HA3 H 18 3.998 4.271 -0.273 2
1 126 . 1 1 A 18 18 GLY C C 18 175.460 174.478 0.982 2
1 127 . 1 1 A 18 18 GLY HA2 H 18 4.947 4.234 0.713 2
1 128 . 1 1 A 19 19 ALA CA C 19 55.387 54.592 0.795 2
1 129 . 1 1 A 19 19 ALA HA H 19 4.229 4.187 0.042 2
1 130 . 1 1 A 19 19 ALA CB C 19 18.689 19.040 -0.351 2
1 134 . 1 1 A 19 19 ALA C C 19 179.606 179.570 0.036 2
1 135 . 1 1 A 20 20 GLY N N 20 101.587 107.043 -5.457 2
1 136 . 1 1 A 20 20 GLY H H 20 8.466 8.292 0.174 2
1 137 . 1 1 A 20 20 GLY CA C 20 46.078 47.125 -1.047 2
1 138 . 1 1 A 20 20 GLY HA3 H 20 3.596 3.904 -0.308 2
1 139 . 1 1 A 20 20 GLY C C 20 173.214 176.341 -3.127 2
1 140 . 1 1 A 20 20 GLY HA2 H 20 4.689 3.868 0.821 2
1 141 . 1 1 A 21 21 LEU N N 21 115.987 122.746 -6.759 2
1 142 . 1 1 A 21 21 LEU H H 21 6.928 7.878 -0.950 2
1 143 . 1 1 A 21 21 LEU CA C 21 55.567 57.108 -1.541 2
1 144 . 1 1 A 21 21 LEU HA H 21 3.404 3.813 -0.409 2
1 145 . 1 1 A 21 21 LEU CB C 21 41.702 41.066 0.636 2
1 157 . 1 1 A 21 21 LEU C C 21 175.989 179.319 -3.330 2
1 159 . 1 1 A 22 22 SER N N 22 106.483 113.138 -6.655 2
1 160 . 1 1 A 22 22 SER H H 22 7.808 8.012 -0.204 2
1 161 . 1 1 A 22 22 SER CA C 22 58.956 60.789 -1.833 2
1 162 . 1 1 A 22 22 SER HA H 22 4.901 4.454 0.447 2
1 163 . 1 1 A 22 22 SER CB C 22 66.238 63.730 2.508 2
1 165 . 1 1 A 22 22 SER C C 22 174.051 174.115 -0.064 2
1 167 . 1 1 A 23 23 LYS N N 23 124.757 115.220 9.537 2
1 168 . 1 1 A 23 23 LYS H H 23 8.399 7.957 0.442 2
1 169 . 1 1 A 23 23 LYS CA C 23 55.676 54.901 0.775 2
1 170 . 1 1 A 23 23 LYS HA H 23 4.973 4.704 0.269 2
1 171 . 1 1 A 23 23 LYS CB C 23 36.338 35.694 0.644 2
1 179 . 1 1 A 23 23 LYS C C 23 173.136 174.010 -0.874 2
1 184 . 1 1 A 24 24 ALA N N 24 123.565 121.632 1.933 2
1 185 . 1 1 A 24 24 ALA H H 24 7.541 8.509 -0.968 2
1 186 . 1 1 A 24 24 ALA CA C 24 51.148 50.451 0.697 2
1 187 . 1 1 A 24 24 ALA HA H 24 4.256 5.280 -1.024 2
1 188 . 1 1 A 24 24 ALA CB C 24 22.019 23.572 -1.553 2
1 192 . 1 1 A 24 24 ALA C C 24 173.515 175.650 -2.135 2
1 193 . 1 1 A 25 25 PHE N N 25 114.269 116.767 -2.498 2
1 194 . 1 1 A 25 25 PHE H H 25 7.858 8.874 -1.016 2
1 195 . 1 1 A 25 25 PHE CA C 25 55.809 56.447 -0.638 2
1 196 . 1 1 A 25 25 PHE HA H 25 5.191 4.988 0.203 2
1 197 . 1 1 A 25 25 PHE CB C 25 41.943 42.164 -0.221 2
1 209 . 1 1 A 25 25 PHE C C 25 177.046 175.561 1.485 2
1 211 . 1 1 A 26 26 VAL N N 26 123.270 123.134 0.136 2
1 212 . 1 1 A 26 26 VAL H H 26 9.338 8.680 0.658 2
1 213 . 1 1 A 26 26 VAL CA C 26 65.054 65.219 -0.165 2
1 214 . 1 1 A 26 26 VAL HA H 26 3.441 3.680 -0.239 2
1 215 . 1 1 A 26 26 VAL CB C 26 31.757 31.490 0.267 2
1 225 . 1 1 A 26 26 VAL C C 26 178.201 177.285 0.916 2
1 226 . 1 1 A 27 27 GLY N N 27 112.668 114.937 -2.269 2
1 227 . 1 1 A 27 27 GLY H H 27 8.862 8.915 -0.053 2
1 228 . 1 1 A 27 27 GLY CA C 27 45.857 45.362 0.495 2
1 229 . 1 1 A 27 27 GLY HA3 H 27 4.229 4.029 0.200 2
1 230 . 1 1 A 27 27 GLY C C 27 173.411 174.269 -0.858 2
1 231 . 1 1 A 27 27 GLY HA2 H 27 3.631 4.026 -0.395 2
1 232 . 1 1 A 28 28 GLN N N 28 118.568 120.711 -2.143 2
1 233 . 1 1 A 28 28 GLN H H 28 7.755 8.049 -0.294 2
1 234 . 1 1 A 28 28 GLN CA C 28 53.825 56.555 -2.730 2
1 235 . 1 1 A 28 28 GLN HA H 28 4.690 4.332 0.358 2
1 236 . 1 1 A 28 28 GLN CB C 28 30.975 29.915 1.060 2
1 243 . 1 1 A 28 28 GLN C C 28 175.517 174.996 0.521 2
1 246 . 1 1 A 29 29 LYS N N 29 123.598 124.332 -0.734 2
1 247 . 1 1 A 29 29 LYS H H 29 8.839 8.532 0.307 2
1 248 . 1 1 A 29 29 LYS CA C 29 57.587 55.535 2.052 2
1 249 . 1 1 A 29 29 LYS HA H 29 4.158 4.636 -0.478 2
1 250 . 1 1 A 29 29 LYS CB C 29 32.381 33.571 -1.190 2
1 258 . 1 1 A 29 29 LYS C C 29 176.190 174.891 1.299 2
1 263 . 1 1 A 30 30 SER N N 30 124.030 124.569 -0.539 2
1 264 . 1 1 A 30 30 SER H H 30 8.694 8.262 0.432 2
1 265 . 1 1 A 30 30 SER CA C 30 57.560 58.393 -0.833 2
1 266 . 1 1 A 30 30 SER HA H 30 4.758 4.853 -0.095 2
1 267 . 1 1 A 30 30 SER CB C 30 64.143 63.898 0.245 2
1 269 . 1 1 A 30 30 SER C C 30 173.413 173.725 -0.312 2
1 271 . 1 1 A 31 31 SER N N 31 116.828 118.767 -1.939 2
1 272 . 1 1 A 31 31 SER H H 31 8.894 8.673 0.221 2
1 273 . 1 1 A 31 31 SER CA C 31 57.132 55.636 1.496 2
1 274 . 1 1 A 31 31 SER HA H 31 6.181 5.299 0.882 2
1 275 . 1 1 A 31 31 SER CB C 31 67.745 66.448 1.297 2
1 277 . 1 1 A 31 31 SER C C 31 174.171 173.572 0.599 2
1 279 . 1 1 A 32 32 PHE N N 32 117.724 117.139 0.585 2
1 280 . 1 1 A 32 32 PHE H H 32 8.853 8.453 0.400 2
1 281 . 1 1 A 32 32 PHE CA C 32 57.190 56.064 1.126 2
1 282 . 1 1 A 32 32 PHE HA H 32 5.016 5.241 -0.225 2
1 283 . 1 1 A 32 32 PHE CB C 32 40.712 41.801 -1.089 2
1 295 . 1 1 A 32 32 PHE C C 32 170.765 172.183 -1.418 2
1 297 . 1 1 A 33 33 LEU N N 33 121.533 123.981 -2.448 2
1 298 . 1 1 A 33 33 LEU H H 33 9.223 8.839 0.384 2
1 299 . 1 1 A 33 33 LEU CA C 33 53.636 53.624 0.012 2
1 300 . 1 1 A 33 33 LEU HA H 33 5.531 5.174 0.357 2
1 301 . 1 1 A 33 33 LEU CB C 33 46.278 45.166 1.112 2
1 313 . 1 1 A 33 33 LEU C C 33 176.559 174.453 2.106 2
1 315 . 1 1 A 34 34 VAL N N 34 123.140 126.372 -3.232 2
1 316 . 1 1 A 34 34 VAL H H 34 9.257 8.732 0.526 2
1 317 . 1 1 A 34 34 VAL CA C 34 61.182 61.320 -0.138 2
1 318 . 1 1 A 34 34 VAL HA H 34 4.785 4.843 -0.058 2
1 319 . 1 1 A 34 34 VAL CB C 34 34.589 34.292 0.297 2
1 329 . 1 1 A 34 34 VAL C C 34 174.370 174.096 0.274 2
1 330 . 1 1 A 35 35 ASP N N 35 126.353 127.763 -1.410 2
1 331 . 1 1 A 35 35 ASP H H 35 9.312 8.993 0.319 2
1 332 . 1 1 A 35 35 ASP CA C 35 53.298 53.814 -0.516 2
1 333 . 1 1 A 35 35 ASP HA H 35 5.229 4.937 0.292 2
1 334 . 1 1 A 35 35 ASP CB C 35 41.538 41.468 0.070 2
1 336 . 1 1 A 35 35 ASP C C 35 176.980 176.232 0.748 2
1 338 . 1 1 A 36 36 CYS N N 36 125.342 124.519 0.824 2
1 339 . 1 1 A 36 36 CYS H H 36 9.275 8.606 0.669 2
1 340 . 1 1 A 36 36 CYS CA C 36 57.367 57.940 -0.573 2
1 341 . 1 1 A 36 36 CYS HA H 36 4.374 4.685 -0.311 2
1 342 . 1 1 A 36 36 CYS CB C 36 28.369 28.015 0.354 2
1 344 . 1 1 A 36 36 CYS C C 36 177.015 175.338 1.677 2
1 346 . 1 1 A 37 37 SER N N 37 119.973 117.220 2.753 2
1 347 . 1 1 A 37 37 SER H H 37 9.039 8.019 1.020 2
1 348 . 1 1 A 37 37 SER CA C 37 62.787 61.536 1.251 2
1 349 . 1 1 A 37 37 SER HA H 37 3.932 4.196 -0.264 2
1 350 . 1 1 A 37 37 SER CB C 37 62.982 62.995 -0.013 2
1 352 . 1 1 A 37 37 SER C C 37 176.290 176.263 0.027 2
1 354 . 1 1 A 38 38 LYS N N 38 120.815 119.302 1.513 2
1 355 . 1 1 A 38 38 LYS H H 38 8.676 8.017 0.659 2
1 356 . 1 1 A 38 38 LYS CA C 38 55.123 57.007 -1.884 2
1 357 . 1 1 A 38 38 LYS HA H 38 4.730 4.353 0.377 2
1 358 . 1 1 A 38 38 LYS CB C 38 32.250 32.180 0.070 2
1 366 . 1 1 A 38 38 LYS C C 38 176.385 177.759 -1.374 2
1 371 . 1 1 A 39 39 ALA N N 39 121.594 121.762 -0.168 2
1 372 . 1 1 A 39 39 ALA H H 39 7.322 7.876 -0.554 2
1 373 . 1 1 A 39 39 ALA CA C 39 52.127 54.167 -2.040 2
1 374 . 1 1 A 39 39 ALA HA H 39 4.436 4.217 0.219 2
1 375 . 1 1 A 39 39 ALA CB C 39 21.347 19.656 1.691 2
1 379 . 1 1 A 39 39 ALA C C 39 177.453 177.634 -0.181 2
1 380 . 1 1 A 40 40 GLY N N 40 111.873 102.810 9.063 2
1 381 . 1 1 A 40 40 GLY H H 40 8.755 7.375 1.380 2
1 382 . 1 1 A 40 40 GLY CA C 40 45.619 45.897 -0.278 2
1 383 . 1 1 A 40 40 GLY HA3 H 40 4.329 4.318 0.011 2
1 384 . 1 1 A 40 40 GLY C C 40 173.801 172.774 1.027 2
1 385 . 1 1 A 40 40 GLY HA2 H 40 3.754 4.224 -0.470 2
1 386 . 1 1 A 41 41 SER N N 41 117.149 116.700 0.449 2
1 387 . 1 1 A 41 41 SER H H 41 8.524 8.466 0.058 2
1 388 . 1 1 A 41 41 SER CA C 41 56.849 57.582 -0.733 2
1 389 . 1 1 A 41 41 SER HA H 41 5.010 4.944 0.066 2
1 390 . 1 1 A 41 41 SER CB C 41 63.917 63.774 0.143 2
1 392 . 1 1 A 41 41 SER C C 41 172.603 173.411 -0.808 2
1 394 . 1 1 A 42 42 ASN N N 42 125.590 120.951 4.639 2
1 395 . 1 1 A 42 42 ASN H H 42 7.155 8.161 -1.006 2
1 396 . 1 1 A 42 42 ASN CA C 42 50.805 51.541 -0.736 2
1 397 . 1 1 A 42 42 ASN HA H 42 3.256 4.769 -1.513 2
1 398 . 1 1 A 42 42 ASN CB C 42 39.354 40.374 -1.020 2
1 403 . 1 1 A 42 42 ASN C C 42 170.908 174.138 -3.230 2
1 405 . 1 1 A 43 43 MET N N 43 115.129 119.313 -4.184 2
1 406 . 1 1 A 43 43 MET H H 43 8.366 8.074 0.292 2
1 407 . 1 1 A 43 43 MET CA C 43 53.424 53.202 0.222 2
1 408 . 1 1 A 43 43 MET HA H 43 4.102 5.104 -1.002 2
1 409 . 1 1 A 43 43 MET CB C 43 35.572 34.535 1.037 2
1 417 . 1 1 A 43 43 MET C C 43 173.140 174.267 -1.127 2
1 420 . 1 1 A 44 44 LEU N N 44 128.038 124.594 3.444 2
1 421 . 1 1 A 44 44 LEU H H 44 8.300 8.564 -0.264 2
1 422 . 1 1 A 44 44 LEU CA C 44 53.806 53.552 0.254 2
1 423 . 1 1 A 44 44 LEU HA H 44 5.331 5.134 0.197 2
1 424 . 1 1 A 44 44 LEU CB C 44 43.598 44.044 -0.446 2
1 436 . 1 1 A 44 44 LEU C C 44 175.236 175.775 -0.539 2
1 438 . 1 1 A 45 45 LEU N N 45 126.999 122.283 4.716 2
1 439 . 1 1 A 45 45 LEU H H 45 9.109 8.655 0.454 2
1 440 . 1 1 A 45 45 LEU CA C 45 54.800 52.659 2.141 2
1 441 . 1 1 A 45 45 LEU HA H 45 5.135 5.286 -0.151 2
1 442 . 1 1 A 45 45 LEU CB C 45 45.499 45.828 -0.329 2
1 454 . 1 1 A 45 45 LEU C C 45 175.167 175.450 -0.283 2
1 456 . 1 1 A 46 46 ILE N N 46 118.172 119.946 -1.774 2
1 457 . 1 1 A 46 46 ILE H H 46 7.966 8.734 -0.768 2
1 458 . 1 1 A 46 46 ILE CA C 46 58.091 59.550 -1.459 2
1 459 . 1 1 A 46 46 ILE HA H 46 5.412 5.057 0.355 2
1 460 . 1 1 A 46 46 ILE CB C 46 41.988 41.985 0.003 2
1 472 . 1 1 A 46 46 ILE C C 46 174.748 175.602 -0.854 2
1 474 . 1 1 A 47 47 GLY N N 47 110.148 115.560 -5.412 2
1 475 . 1 1 A 47 47 GLY H H 47 8.554 8.718 -0.164 2
1 476 . 1 1 A 47 47 GLY CA C 47 46.136 46.151 -0.015 2
1 477 . 1 1 A 47 47 GLY HA3 H 47 4.604 4.239 0.365 2
1 478 . 1 1 A 47 47 GLY C C 47 171.583 173.414 -1.831 2
1 479 . 1 1 A 47 47 GLY HA2 H 47 3.933 4.232 -0.299 2
1 480 . 1 1 A 48 48 VAL N N 48 120.434 118.178 2.256 2
1 481 . 1 1 A 48 48 VAL H H 48 9.048 7.658 1.390 2
1 482 . 1 1 A 48 48 VAL CA C 48 61.060 62.289 -1.229 2
1 483 . 1 1 A 48 48 VAL HA H 48 5.143 4.099 1.044 2
1 484 . 1 1 A 48 48 VAL CB C 48 34.976 32.023 2.953 2
1 494 . 1 1 A 48 48 VAL C C 48 175.260 175.573 -0.313 2
1 495 . 1 1 A 49 49 HIS N N 49 127.718 124.782 2.936 2
1 496 . 1 1 A 49 49 HIS H H 49 9.556 8.804 0.752 2
1 497 . 1 1 A 49 49 HIS CA C 49 55.342 55.496 -0.154 2
1 498 . 1 1 A 49 49 HIS HA H 49 4.987 4.863 0.124 2
1 499 . 1 1 A 49 49 HIS CB C 49 34.476 31.286 3.190 2
1 505 . 1 1 A 49 49 HIS C C 49 173.822 174.814 -0.992 2
1 507 . 1 1 A 50 50 GLY N N 50 115.577 110.431 5.146 2
1 508 . 1 1 A 50 50 GLY H H 50 8.192 8.593 -0.401 2
1 509 . 1 1 A 50 50 GLY CA C 50 44.693 46.342 -1.649 2
1 510 . 1 1 A 50 50 GLY HA3 H 50 3.247 4.257 -1.010 2
1 511 . 1 1 A 50 50 GLY C C 50 171.437 173.820 -2.383 2
1 512 . 1 1 A 50 50 GLY HA2 H 50 3.722 4.210 -0.488 2
1 513 . 1 1 A 51 51 PRO CA C 51 64.376 64.972 -0.596 2
1 514 . 1 1 A 51 51 PRO HA H 51 4.104 4.402 -0.298 2
1 515 . 1 1 A 51 51 PRO CB C 51 32.141 31.982 0.159 2
1 521 . 1 1 A 51 51 PRO C C 51 177.607 177.880 -0.273 2
1 525 . 1 1 A 52 52 THR N N 52 109.088 108.915 0.173 2
1 526 . 1 1 A 52 52 THR H H 52 8.447 7.966 0.481 2
1 527 . 1 1 A 52 52 THR CA C 52 62.861 62.604 0.257 2
1 528 . 1 1 A 52 52 THR HA H 52 4.424 4.564 -0.140 2
1 529 . 1 1 A 52 52 THR CB C 52 70.329 70.546 -0.217 2
1 535 . 1 1 A 52 52 THR C C 52 174.926 174.344 0.582 2
1 536 . 1 1 A 53 53 THR N N 53 118.915 113.477 5.438 2
1 537 . 1 1 A 53 53 THR H H 53 7.983 7.834 0.149 2
1 538 . 1 1 A 53 53 THR CA C 53 59.878 58.921 0.957 2
1 539 . 1 1 A 53 53 THR HA H 53 4.751 4.773 -0.022 2
1 540 . 1 1 A 53 53 THR CB C 53 71.034 70.820 0.214 2
1 546 . 1 1 A 53 53 THR C C 53 172.019 172.313 -0.294 2
1 547 . 1 1 A 54 54 PRO CA C 54 62.614 62.266 0.348 2
1 548 . 1 1 A 54 54 PRO HA H 54 4.629 4.532 0.097 2
1 549 . 1 1 A 54 54 PRO CB C 54 32.845 32.646 0.199 2
1 555 . 1 1 A 54 54 PRO C C 54 177.751 176.331 1.420 2
1 559 . 1 1 A 55 55 CYS N N 55 121.538 120.185 1.353 2
1 560 . 1 1 A 55 55 CYS H H 55 8.938 8.412 0.526 2
1 561 . 1 1 A 55 55 CYS CA C 55 60.342 58.306 2.036 2
1 562 . 1 1 A 55 55 CYS HA H 55 4.563 4.735 -0.172 2
1 563 . 1 1 A 55 55 CYS CB C 55 27.534 29.293 -1.759 2
1 565 . 1 1 A 55 55 CYS C C 55 174.437 175.797 -1.360 2
1 567 . 1 1 A 56 56 GLU N N 56 124.530 123.632 0.898 2
1 568 . 1 1 A 56 56 GLU H H 56 8.450 8.875 -0.425 2
1 569 . 1 1 A 56 56 GLU CA C 56 59.363 59.134 0.229 2
1 570 . 1 1 A 56 56 GLU HA H 56 4.471 4.218 0.253 2
1 571 . 1 1 A 56 56 GLU CB C 56 31.217 30.571 0.646 2
1 575 . 1 1 A 56 56 GLU C C 56 176.847 176.526 0.321 2
1 578 . 1 1 A 57 57 GLU N N 57 114.661 114.186 0.476 2
1 579 . 1 1 A 57 57 GLU H H 57 7.478 7.748 -0.270 2
1 580 . 1 1 A 57 57 GLU CA C 57 55.551 55.522 0.029 2
1 581 . 1 1 A 57 57 GLU HA H 57 5.414 4.690 0.724 2
1 582 . 1 1 A 57 57 GLU CB C 57 34.084 31.742 2.342 2
1 586 . 1 1 A 57 57 GLU C C 57 174.400 173.863 0.537 2
1 589 . 1 1 A 58 58 VAL N N 58 123.611 120.404 3.207 2
1 590 . 1 1 A 58 58 VAL H H 58 8.605 8.441 0.164 2
1 591 . 1 1 A 58 58 VAL CA C 58 62.048 61.738 0.310 2
1 592 . 1 1 A 58 58 VAL HA H 58 4.941 4.793 0.148 2
1 593 . 1 1 A 58 58 VAL CB C 58 35.700 34.413 1.287 2
1 603 . 1 1 A 58 58 VAL C C 58 174.426 174.488 -0.062 2
1 604 . 1 1 A 59 59 SER N N 59 121.592 123.686 -2.094 2
1 605 . 1 1 A 59 59 SER H H 59 9.635 9.184 0.451 2
1 606 . 1 1 A 59 59 SER CA C 59 57.012 57.103 -0.091 2
1 607 . 1 1 A 59 59 SER HA H 59 5.526 4.920 0.606 2
1 608 . 1 1 A 59 59 SER CB C 59 65.896 63.996 1.900 2
1 610 . 1 1 A 59 59 SER C C 59 172.465 173.475 -1.010 2
1 612 . 1 1 A 60 60 MET N N 60 122.508 126.938 -4.430 2
1 613 . 1 1 A 60 60 MET H H 60 9.435 9.091 0.344 2
1 614 . 1 1 A 60 60 MET CA C 60 54.541 53.776 0.765 2
1 615 . 1 1 A 60 60 MET HA H 60 5.352 5.651 -0.299 2
1 616 . 1 1 A 60 60 MET CB C 60 37.420 34.550 2.870 2
1 624 . 1 1 A 60 60 MET C C 60 174.616 175.319 -0.703 2
1 627 . 1 1 A 61 61 LYS N N 61 125.580 123.656 1.924 2
1 628 . 1 1 A 61 61 LYS H H 61 8.963 9.090 -0.127 2
1 629 . 1 1 A 61 61 LYS CA C 61 54.688 54.922 -0.234 2
1 630 . 1 1 A 61 61 LYS HA H 61 5.396 4.948 0.448 2
1 631 . 1 1 A 61 61 LYS CB C 61 36.412 36.482 -0.070 2
1 639 . 1 1 A 61 61 LYS C C 61 175.548 174.938 0.610 2
1 644 . 1 1 A 62 62 HIS N N 62 125.822 124.108 1.714 2
1 645 . 1 1 A 62 62 HIS H H 62 8.967 8.935 0.032 2
1 646 . 1 1 A 62 62 HIS CA C 62 55.674 53.998 1.676 2
1 647 . 1 1 A 62 62 HIS HA H 62 4.621 4.763 -0.142 2
1 648 . 1 1 A 62 62 HIS CB C 62 29.732 29.144 0.588 2
1 654 . 1 1 A 62 62 HIS C C 62 175.912 175.000 0.912 2
1 656 . 1 1 A 63 63 VAL N N 63 124.131 123.877 0.254 2
1 657 . 1 1 A 63 63 VAL H H 63 8.633 8.021 0.612 2
1 658 . 1 1 A 63 63 VAL CA C 63 61.288 64.331 -3.043 2
1 659 . 1 1 A 63 63 VAL HA H 63 4.299 3.660 0.639 2
1 660 . 1 1 A 63 63 VAL CB C 63 30.964 32.401 -1.437 2
1 670 . 1 1 A 63 63 VAL C C 63 175.339 175.399 -0.060 2
1 671 . 1 1 A 64 64 GLY N N 64 108.087 109.846 -1.759 2
1 672 . 1 1 A 64 64 GLY H H 64 5.406 6.895 -1.489 2
1 673 . 1 1 A 64 64 GLY CA C 64 44.979 43.435 1.544 2
1 674 . 1 1 A 64 64 GLY HA3 H 64 3.118 3.761 -0.643 2
1 675 . 1 1 A 64 64 GLY C C 64 174.125 173.822 0.303 2
1 676 . 1 1 A 64 64 GLY HA2 H 64 4.287 3.151 1.136 2
1 677 . 1 1 A 65 65 ASN N N 65 118.292 117.919 0.373 2
1 678 . 1 1 A 65 65 ASN H H 65 9.260 9.265 -0.005 2
1 679 . 1 1 A 65 65 ASN CA C 65 54.643 54.397 0.246 2
1 680 . 1 1 A 65 65 ASN HA H 65 4.401 4.399 0.002 2
1 681 . 1 1 A 65 65 ASN CB C 65 37.695 37.005 0.690 2
1 686 . 1 1 A 65 65 ASN C C 65 174.079 174.582 -0.502 2
1 688 . 1 1 A 66 66 GLN N N 66 111.325 109.310 2.015 2
1 689 . 1 1 A 66 66 GLN H H 66 10.512 8.559 1.953 2
1 690 . 1 1 A 66 66 GLN CA C 66 57.009 57.311 -0.302 2
1 691 . 1 1 A 66 66 GLN HA H 66 3.713 3.935 -0.222 2
1 692 . 1 1 A 66 66 GLN CB C 66 24.986 26.702 -1.716 2
1 699 . 1 1 A 66 66 GLN C C 66 173.896 174.257 -0.361 2
1 702 . 1 1 A 67 67 GLN N N 67 115.692 117.356 -1.664 2
1 703 . 1 1 A 67 67 GLN H H 67 7.492 7.671 -0.179 2
1 704 . 1 1 A 67 67 GLN CA C 67 54.496 54.565 -0.069 2
1 705 . 1 1 A 67 67 GLN HA H 67 5.400 4.934 0.466 2
1 706 . 1 1 A 67 67 GLN CB C 67 29.896 31.194 -1.298 2
1 713 . 1 1 A 67 67 GLN C C 67 175.043 174.183 0.860 2
1 716 . 1 1 A 68 68 TYR N N 68 121.249 121.715 -0.466 2
1 717 . 1 1 A 68 68 TYR H H 68 9.573 8.896 0.677 2
1 718 . 1 1 A 68 68 TYR CA C 68 56.443 56.712 -0.269 2
1 719 . 1 1 A 68 68 TYR HA H 68 5.417 5.229 0.188 2
1 720 . 1 1 A 68 68 TYR CB C 68 41.249 40.508 0.741 2
1 730 . 1 1 A 68 68 TYR C C 68 174.846 174.613 0.233 2
1 732 . 1 1 A 69 69 ASN N N 69 122.429 123.815 -1.386 2
1 733 . 1 1 A 69 69 ASN H H 69 9.354 9.398 -0.043 2
1 734 . 1 1 A 69 69 ASN CA C 69 52.454 52.914 -0.460 2
1 735 . 1 1 A 69 69 ASN HA H 69 5.260 4.883 0.378 2
1 736 . 1 1 A 69 69 ASN CB C 69 40.922 39.989 0.933 2
1 741 . 1 1 A 69 69 ASN C C 69 174.835 174.190 0.645 2
1 743 . 1 1 A 70 70 VAL N N 70 131.599 126.151 5.448 2
1 744 . 1 1 A 70 70 VAL H H 70 9.157 8.131 1.026 2
1 745 . 1 1 A 70 70 VAL CA C 70 60.900 60.711 0.189 2
1 746 . 1 1 A 70 70 VAL HA H 70 4.910 5.032 -0.122 2
1 747 . 1 1 A 70 70 VAL CB C 70 31.882 33.929 -2.047 2
1 757 . 1 1 A 70 70 VAL C C 70 174.368 174.380 -0.012 2
1 758 . 1 1 A 71 71 THR N N 71 119.213 121.762 -2.549 2
1 759 . 1 1 A 71 71 THR H H 71 8.996 8.801 0.195 2
1 760 . 1 1 A 71 71 THR CA C 71 59.796 61.066 -1.270 2
1 761 . 1 1 A 71 71 THR HA H 71 5.614 5.116 0.498 2
1 762 . 1 1 A 71 71 THR CB C 71 72.339 71.649 0.690 2
1 768 . 1 1 A 71 71 THR C C 71 173.260 173.257 0.003 2
1 769 . 1 1 A 72 72 TYR N N 72 121.105 121.194 -0.089 2
1 770 . 1 1 A 72 72 TYR H H 72 9.200 8.465 0.735 2
1 771 . 1 1 A 72 72 TYR CA C 72 56.112 55.558 0.554 2
1 772 . 1 1 A 72 72 TYR HA H 72 5.600 5.632 -0.032 2
1 773 . 1 1 A 72 72 TYR CB C 72 41.878 41.787 0.091 2
1 783 . 1 1 A 72 72 TYR C C 72 173.176 173.248 -0.072 2
1 785 . 1 1 A 73 73 VAL N N 73 118.799 119.682 -0.883 2
1 786 . 1 1 A 73 73 VAL H H 73 8.214 8.680 -0.466 2
1 787 . 1 1 A 73 73 VAL CA C 73 61.111 61.307 -0.196 2
1 788 . 1 1 A 73 73 VAL HA H 73 4.514 4.867 -0.353 2
1 789 . 1 1 A 73 73 VAL CB C 73 35.729 35.368 0.361 2
1 799 . 1 1 A 73 73 VAL C C 73 175.529 175.072 0.457 2
1 800 . 1 1 A 74 74 VAL N N 74 121.061 122.822 -1.761 2
1 801 . 1 1 A 74 74 VAL H H 74 8.947 8.929 0.018 2
1 802 . 1 1 A 74 74 VAL CA C 74 59.858 59.890 -0.032 2
1 803 . 1 1 A 74 74 VAL HA H 74 4.785 4.886 -0.101 2
1 804 . 1 1 A 74 74 VAL CB C 74 32.795 34.081 -1.286 2
1 814 . 1 1 A 74 74 VAL C C 74 176.022 175.757 0.265 2
1 815 . 1 1 A 75 75 LYS N N 75 120.273 123.725 -3.453 2
1 816 . 1 1 A 75 75 LYS H H 75 9.404 8.965 0.439 2
1 817 . 1 1 A 75 75 LYS CA C 75 55.705 56.518 -0.813 2
1 818 . 1 1 A 75 75 LYS HA H 75 4.653 4.568 0.085 2
1 819 . 1 1 A 75 75 LYS CB C 75 34.767 33.455 1.312 2
1 827 . 1 1 A 75 75 LYS C C 75 175.025 176.031 -1.006 2
1 832 . 1 1 A 76 76 GLU N N 76 117.540 120.046 -2.506 2
1 833 . 1 1 A 76 76 GLU H H 76 7.224 7.775 -0.551 2
1 834 . 1 1 A 76 76 GLU CA C 76 54.893 55.246 -0.353 2
1 835 . 1 1 A 76 76 GLU HA H 76 4.747 4.904 -0.156 2
1 836 . 1 1 A 76 76 GLU CB C 76 33.199 33.159 0.040 2
1 840 . 1 1 A 76 76 GLU C C 76 175.664 175.147 0.517 2
1 843 . 1 1 A 77 77 ARG N N 77 125.564 121.679 3.885 2
1 844 . 1 1 A 77 77 ARG H H 77 8.906 8.601 0.305 2
1 845 . 1 1 A 77 77 ARG CA C 77 56.610 54.339 2.271 2
1 846 . 1 1 A 77 77 ARG HA H 77 4.234 5.100 -0.866 2
1 847 . 1 1 A 77 77 ARG CB C 77 31.036 33.035 -1.999 2
1 855 . 1 1 A 77 77 ARG C C 77 174.779 175.258 -0.479 2
1 859 . 1 1 A 78 78 GLY N N 78 108.773 107.165 1.608 2
1 860 . 1 1 A 78 78 GLY H H 78 8.928 8.342 0.586 2
1 861 . 1 1 A 78 78 GLY CA C 78 44.418 44.415 0.003 2
1 862 . 1 1 A 78 78 GLY HA3 H 78 3.770 4.192 -0.422 2
1 863 . 1 1 A 78 78 GLY C C 78 171.452 172.626 -1.174 2
1 864 . 1 1 A 78 78 GLY HA2 H 78 4.467 4.159 0.308 2
1 865 . 1 1 A 79 79 ASP N N 79 120.109 121.361 -1.252 2
1 866 . 1 1 A 79 79 ASP H H 79 8.070 8.414 -0.344 2
1 867 . 1 1 A 79 79 ASP CA C 79 54.204 53.584 0.620 2
1 868 . 1 1 A 79 79 ASP HA H 79 5.344 5.243 0.101 2
1 869 . 1 1 A 79 79 ASP CB C 79 42.148 41.775 0.373 2
1 871 . 1 1 A 79 79 ASP C C 79 175.474 175.126 0.348 2
1 873 . 1 1 A 80 80 TYR N N 80 121.969 123.646 -1.677 2
1 874 . 1 1 A 80 80 TYR H H 80 9.412 9.353 0.059 2
1 875 . 1 1 A 80 80 TYR CA C 80 56.872 56.923 -0.052 2
1 876 . 1 1 A 80 80 TYR HA H 80 4.821 5.140 -0.319 2
1 877 . 1 1 A 80 80 TYR CB C 80 41.557 41.556 0.001 2
1 887 . 1 1 A 80 80 TYR C C 80 175.552 175.263 0.289 2
1 889 . 1 1 A 81 81 VAL N N 81 121.669 120.751 0.918 2
1 890 . 1 1 A 81 81 VAL H H 81 8.688 8.741 -0.053 2
1 891 . 1 1 A 81 81 VAL CA C 81 61.217 61.343 -0.126 2
1 892 . 1 1 A 81 81 VAL HA H 81 4.606 4.776 -0.170 2
1 893 . 1 1 A 81 81 VAL CB C 81 33.990 33.922 0.068 2
1 903 . 1 1 A 81 81 VAL C C 81 173.568 174.266 -0.698 2
1 904 . 1 1 A 82 82 LEU N N 82 129.806 130.470 -0.664 2
1 905 . 1 1 A 82 82 LEU H H 82 8.873 8.656 0.217 2
1 906 . 1 1 A 82 82 LEU CA C 82 53.321 53.944 -0.623 2
1 907 . 1 1 A 82 82 LEU HA H 82 5.150 4.928 0.222 2
1 908 . 1 1 A 82 82 LEU CB C 82 44.594 43.806 0.788 2
1 920 . 1 1 A 82 82 LEU C C 82 174.427 174.810 -0.383 2
1 922 . 1 1 A 83 83 ALA N N 83 128.482 129.956 -1.474 2
1 923 . 1 1 A 83 83 ALA H H 83 9.294 9.047 0.247 2
1 924 . 1 1 A 83 83 ALA CA C 83 50.133 50.461 -0.328 2
1 925 . 1 1 A 83 83 ALA HA H 83 5.081 5.188 -0.107 2
1 926 . 1 1 A 83 83 ALA CB C 83 21.500 20.677 0.823 2
1 930 . 1 1 A 83 83 ALA C C 83 174.991 175.987 -0.996 2
1 931 . 1 1 A 84 84 VAL N N 84 121.691 123.854 -2.163 2
1 932 . 1 1 A 84 84 VAL H H 84 9.222 9.040 0.182 2
1 933 . 1 1 A 84 84 VAL CA C 84 61.324 61.281 0.043 2
1 934 . 1 1 A 84 84 VAL HA H 84 4.785 4.807 -0.022 2
1 935 . 1 1 A 84 84 VAL CB C 84 34.116 33.986 0.130 2
1 945 . 1 1 A 84 84 VAL C C 84 174.156 174.859 -0.703 2
1 946 . 1 1 A 85 85 LYS N N 85 124.020 126.274 -2.254 2
1 947 . 1 1 A 85 85 LYS H H 85 9.193 8.538 0.655 2
1 948 . 1 1 A 85 85 LYS CA C 85 54.222 54.451 -0.229 2
1 949 . 1 1 A 85 85 LYS HA H 85 4.958 5.191 -0.233 2
1 950 . 1 1 A 85 85 LYS CB C 85 34.814 35.464 -0.650 2
1 958 . 1 1 A 85 85 LYS C C 85 173.704 175.188 -1.484 2
1 963 . 1 1 A 86 86 TRP N N 86 123.429 124.450 -1.021 2
1 964 . 1 1 A 86 86 TRP H H 86 8.623 8.972 -0.349 2
1 965 . 1 1 A 86 86 TRP CA C 86 53.803 56.650 -2.847 2
1 966 . 1 1 A 86 86 TRP HA H 86 5.583 4.910 0.673 2
1 967 . 1 1 A 86 86 TRP CB C 86 32.084 31.546 0.538 2
1 981 . 1 1 A 86 86 TRP C C 86 176.916 175.837 1.079 2
1 983 . 1 1 A 87 87 GLY N N 87 116.722 114.835 1.887 2
1 984 . 1 1 A 87 87 GLY H H 87 8.782 8.776 0.006 2
1 985 . 1 1 A 87 87 GLY CA C 87 46.432 46.696 -0.264 2
1 986 . 1 1 A 87 87 GLY HA3 H 87 3.152 3.602 -0.450 2
1 987 . 1 1 A 87 87 GLY C C 87 173.838 174.073 -0.235 2
1 988 . 1 1 A 87 87 GLY HA2 H 87 3.732 3.393 0.339 2
1 989 . 1 1 A 88 88 GLU N N 88 122.405 110.567 11.838 2
1 990 . 1 1 A 88 88 GLU H H 88 8.592 8.430 0.162 2
1 991 . 1 1 A 88 88 GLU CA C 88 56.004 57.632 -1.628 2
1 992 . 1 1 A 88 88 GLU HA H 88 4.057 3.821 0.236 2
1 993 . 1 1 A 88 88 GLU CB C 88 29.764 27.363 2.401 2
1 997 . 1 1 A 88 88 GLU C C 88 176.465 174.853 1.612 2
1 1000 . 1 1 A 89 89 GLU N N 89 117.358 117.217 0.141 2
1 1001 . 1 1 A 89 89 GLU H H 89 7.226 7.578 -0.352 2
1 1002 . 1 1 A 89 89 GLU CA C 89 54.921 54.821 0.100 2
1 1003 . 1 1 A 89 89 GLU HA H 89 4.580 5.136 -0.556 2
1 1004 . 1 1 A 89 89 GLU CB C 89 33.160 34.348 -1.188 2
1 1008 . 1 1 A 89 89 GLU C C 89 175.674 174.933 0.741 2
1 1011 . 1 1 A 90 90 HIS N N 90 122.210 116.546 5.664 2
1 1012 . 1 1 A 90 90 HIS H H 90 8.603 8.826 -0.223 2
1 1013 . 1 1 A 90 90 HIS CA C 90 58.321 54.493 3.828 2
1 1014 . 1 1 A 90 90 HIS HA H 90 4.343 5.158 -0.815 2
1 1015 . 1 1 A 90 90 HIS CB C 90 32.786 31.896 0.890 2
1 1021 . 1 1 A 90 90 HIS C C 90 177.001 175.273 1.728 2
1 1023 . 1 1 A 91 91 ILE N N 91 117.760 122.551 -4.791 2
1 1024 . 1 1 A 91 91 ILE H H 91 8.289 8.193 0.096 2
1 1025 . 1 1 A 91 91 ILE CA C 91 61.019 60.262 0.757 2
1 1026 . 1 1 A 91 91 ILE HA H 91 4.482 4.246 0.236 2
1 1027 . 1 1 A 91 91 ILE CB C 91 35.655 37.856 -2.201 2
1 1039 . 1 1 A 91 91 ILE C C 91 173.231 175.486 -2.255 2
1 1041 . 1 1 A 92 92 PRO CA C 92 65.378 63.465 1.913 2
1 1042 . 1 1 A 92 92 PRO HA H 92 4.207 4.375 -0.168 2
1 1043 . 1 1 A 92 92 PRO CB C 92 31.301 31.028 0.273 2
1 1049 . 1 1 A 92 92 PRO C C 92 177.559 177.382 0.177 2
1 1053 . 1 1 A 93 93 GLY N N 93 115.174 113.163 2.011 2
1 1054 . 1 1 A 93 93 GLY H H 93 8.291 8.515 -0.224 2
1 1055 . 1 1 A 93 93 GLY CA C 93 44.729 44.815 -0.086 2
1 1056 . 1 1 A 93 93 GLY HA3 H 93 3.122 3.704 -0.582 2
1 1057 . 1 1 A 93 93 GLY C C 93 171.695 173.678 -1.983 2
1 1058 . 1 1 A 93 93 GLY HA2 H 93 4.116 3.596 0.520 2
1 1059 . 1 1 A 94 94 SER N N 94 112.948 117.052 -4.104 2
1 1060 . 1 1 A 94 94 SER H H 94 7.612 7.462 0.150 2
1 1061 . 1 1 A 94 94 SER CA C 94 54.585 55.241 -0.656 2
1 1062 . 1 1 A 94 94 SER HA H 94 4.002 4.614 -0.612 2
1 1063 . 1 1 A 94 94 SER CB C 94 62.348 64.606 -2.258 2
1 1065 . 1 1 A 94 94 SER C C 94 174.321 172.695 1.626 2
1 1067 . 1 1 A 95 95 PRO CA C 95 62.338 62.834 -0.496 2
1 1068 . 1 1 A 95 95 PRO HA H 95 5.296 4.846 0.450 2
1 1069 . 1 1 A 95 95 PRO CB C 95 33.730 32.636 1.094 2
1 1075 . 1 1 A 95 95 PRO C C 95 175.728 176.929 -1.201 2
1 1079 . 1 1 A 96 96 PHE N N 96 124.415 121.256 3.159 2
1 1080 . 1 1 A 96 96 PHE H H 96 9.643 8.530 1.113 2
1 1081 . 1 1 A 96 96 PHE CA C 96 57.405 57.790 -0.385 2
1 1082 . 1 1 A 96 96 PHE HA H 96 4.474 4.880 -0.406 2
1 1083 . 1 1 A 96 96 PHE CB C 96 40.160 40.025 0.135 2
1 1095 . 1 1 A 96 96 PHE C C 96 175.736 175.414 0.322 2
1 1097 . 1 1 A 97 97 HIS N N 97 121.364 121.815 -0.451 2
1 1098 . 1 1 A 97 97 HIS H H 97 8.898 8.940 -0.042 2
1 1099 . 1 1 A 97 97 HIS CA C 97 55.214 54.504 0.710 2
1 1100 . 1 1 A 97 97 HIS HA H 97 5.124 5.188 -0.064 2
1 1101 . 1 1 A 97 97 HIS CB C 97 29.981 31.395 -1.414 2
1 1107 . 1 1 A 97 97 HIS C C 97 173.895 173.374 0.521 2
1 1109 . 1 1 A 98 98 VAL N N 98 127.912 128.975 -1.063 2
1 1110 . 1 1 A 98 98 VAL H H 98 8.582 8.889 -0.307 2
1 1111 . 1 1 A 98 98 VAL CA C 98 61.467 61.404 0.063 2
1 1112 . 1 1 A 98 98 VAL HA H 98 4.096 4.641 -0.545 2
1 1113 . 1 1 A 98 98 VAL CB C 98 35.455 32.967 2.488 2
1 1123 . 1 1 A 98 98 VAL C C 98 174.874 175.036 -0.162 2
1 1124 . 1 1 A 99 99 THR N N 99 123.090 123.570 -0.480 2
1 1125 . 1 1 A 99 99 THR H H 99 8.117 8.727 -0.610 2
1 1126 . 1 1 A 99 99 THR CA C 99 62.031 61.787 0.244 2
1 1127 . 1 1 A 99 99 THR HA H 99 4.852 4.887 -0.035 2
1 1128 . 1 1 A 99 99 THR CB C 99 70.661 70.189 0.472 2
1 1134 . 1 1 A 99 99 THR C C 99 173.264 173.847 -0.583 2
1 1135 . 1 1 A 100 100 VAL N N 100 129.827 126.380 3.447 2
1 1136 . 1 1 A 100 100 VAL H H 100 8.812 8.833 -0.021 2
1 1137 . 1 1 A 100 100 VAL CA C 100 58.577 58.679 -0.102 2
1 1138 . 1 1 A 100 100 VAL HA H 100 5.053 4.636 0.417 2
1 1139 . 1 1 A 100 100 VAL CB C 100 33.365 33.930 -0.565 2
1 1149 . 1 1 A 100 100 VAL C C 100 174.927 174.241 0.686 2
stop_
save_