data_10213_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10213
_Entry.PDB_ID 2E29
_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 58.720 61.144 -2.424 1
1 2 . 1 1 1 A 6 6 SER HA H 6 4.456 4.135 0.321 1
1 3 . 1 1 1 A 6 6 SER CB C 6 63.880 62.915 0.965 1
1 6 . 1 1 1 A 6 6 SER C C 6 174.951 176.903 -1.952 1
1 7 . 1 1 1 A 7 7 GLY N N 7 110.558 110.078 0.480 1
1 8 . 1 1 1 A 7 7 GLY H H 7 8.377 8.410 -0.033 1
1 9 . 1 1 1 A 7 7 GLY CA C 7 45.205 47.439 -2.234 1
1 10 . 1 1 1 A 7 7 GLY HA2 H 7 3.879 3.781 0.098 1
1 11 . 1 1 1 A 7 7 GLY HA3 H 7 3.910 3.782 0.128 1
1 12 . 1 1 1 A 7 7 GLY C C 7 173.615 174.510 -0.895 1
1 13 . 1 1 1 A 8 8 PHE N N 8 119.857 118.562 1.295 1
1 14 . 1 1 1 A 8 8 PHE H H 8 8.062 8.089 -0.027 1
1 15 . 1 1 1 A 8 8 PHE CA C 8 57.418 58.571 -1.153 1
1 16 . 1 1 1 A 8 8 PHE HA H 8 4.624 4.548 0.076 1
1 17 . 1 1 1 A 8 8 PHE CB C 8 39.749 38.786 0.963 1
1 30 . 1 1 1 A 8 8 PHE C C 8 175.242 174.115 1.127 1
1 31 . 1 1 1 A 9 9 GLU N N 9 124.807 122.571 2.236 1
1 32 . 1 1 1 A 9 9 GLU H H 9 8.311 7.877 0.434 1
1 33 . 1 1 1 A 9 9 GLU CA C 9 54.034 53.363 0.671 1
1 34 . 1 1 1 A 9 9 GLU HA H 9 4.546 4.819 -0.273 1
1 35 . 1 1 1 A 9 9 GLU CB C 9 29.859 30.037 -0.178 1
1 40 . 1 1 1 A 9 9 GLU C C 9 174.125 174.886 -0.761 1
1 41 . 1 1 1 A 10 10 PRO CA C 10 63.366 62.581 0.785 1
1 42 . 1 1 1 A 10 10 PRO HA H 10 4.334 4.787 -0.453 1
1 43 . 1 1 1 A 10 10 PRO CB C 10 32.033 32.616 -0.583 1
1 52 . 1 1 1 A 10 10 PRO C C 10 177.062 176.579 0.483 1
1 53 . 1 1 1 A 11 11 ARG N N 11 120.726 121.368 -0.642 1
1 54 . 1 1 1 A 11 11 ARG H H 11 8.477 8.459 0.018 1
1 55 . 1 1 1 A 11 11 ARG CA C 11 56.175 56.346 -0.171 1
1 56 . 1 1 1 A 11 11 ARG HA H 11 4.318 4.523 -0.205 1
1 57 . 1 1 1 A 11 11 ARG CB C 11 30.831 30.909 -0.078 1
1 66 . 1 1 1 A 11 11 ARG C C 11 176.455 176.573 -0.118 1
1 67 . 1 1 1 A 12 12 SER N N 12 116.599 119.552 -2.953 1
1 68 . 1 1 1 A 12 12 SER H H 12 8.289 8.608 -0.319 1
1 69 . 1 1 1 A 12 12 SER CA C 12 58.330 58.912 -0.582 1
1 70 . 1 1 1 A 12 12 SER HA H 12 4.396 4.724 -0.328 1
1 71 . 1 1 1 A 12 12 SER CB C 12 63.633 63.791 -0.158 1
1 74 . 1 1 1 A 12 12 SER C C 12 174.465 174.566 -0.101 1
1 75 . 1 1 1 A 13 13 LEU N N 13 124.186 125.961 -1.775 1
1 76 . 1 1 1 A 13 13 LEU H H 13 8.275 8.660 -0.385 1
1 77 . 1 1 1 A 13 13 LEU CA C 13 55.306 54.209 1.097 1
1 78 . 1 1 1 A 13 13 LEU HA H 13 4.361 4.437 -0.076 1
1 79 . 1 1 1 A 13 13 LEU CB C 13 42.350 42.142 0.208 1
1 92 . 1 1 1 A 13 13 LEU C C 13 177.184 177.268 -0.084 1
1 93 . 1 1 1 A 14 14 ILE N N 14 121.445 122.640 -1.195 1
1 94 . 1 1 1 A 14 14 ILE H H 14 8.106 8.686 -0.580 1
1 95 . 1 1 1 A 14 14 ILE CA C 14 61.248 61.167 0.081 1
1 96 . 1 1 1 A 14 14 ILE HA H 14 4.202 4.366 -0.164 1
1 97 . 1 1 1 A 14 14 ILE CB C 14 38.555 37.010 1.545 1
1 110 . 1 1 1 A 14 14 ILE C C 14 176.528 175.693 0.835 1
1 111 . 1 1 1 A 15 15 THR N N 15 118.053 123.686 -5.633 1
1 112 . 1 1 1 A 15 15 THR H H 15 8.226 8.397 -0.171 1
1 113 . 1 1 1 A 15 15 THR CA C 15 61.573 63.268 -1.695 1
1 114 . 1 1 1 A 15 15 THR HA H 15 4.401 4.379 0.022 1
1 115 . 1 1 1 A 15 15 THR CB C 15 69.795 69.179 0.616 1
1 121 . 1 1 1 A 15 15 THR C C 15 174.538 173.728 0.810 1
1 122 . 1 1 1 A 16 16 SER N N 16 117.877 123.000 -5.123 1
1 123 . 1 1 1 A 16 16 SER H H 16 8.272 8.859 -0.587 1
1 124 . 1 1 1 A 16 16 SER CA C 16 55.830 59.406 -3.576 1
1 125 . 1 1 1 A 16 16 SER HA H 16 4.448 4.614 -0.166 1
1 126 . 1 1 1 A 16 16 SER CB C 16 63.880 64.101 -0.221 1
1 129 . 1 1 1 A 16 16 SER C C 16 174.247 172.948 1.299 1
1 130 . 1 1 1 A 17 17 ASP N N 17 122.892 121.359 1.533 1
1 131 . 1 1 1 A 17 17 ASP H H 17 8.425 8.103 0.322 1
1 132 . 1 1 1 A 17 17 ASP CA C 17 54.461 53.825 0.636 1
1 133 . 1 1 1 A 17 17 ASP HA H 17 4.611 4.600 0.011 1
1 134 . 1 1 1 A 17 17 ASP CB C 17 41.340 40.591 0.749 1
1 137 . 1 1 1 A 17 17 ASP C C 17 176.358 175.142 1.216 1
1 138 . 1 1 1 A 18 18 LYS N N 18 121.459 128.248 -6.789 1
1 139 . 1 1 1 A 18 18 LYS H H 18 8.349 8.764 -0.415 1
1 140 . 1 1 1 A 18 18 LYS CA C 18 56.526 55.388 1.138 1
1 141 . 1 1 1 A 18 18 LYS HA H 18 4.356 4.456 -0.100 1
1 142 . 1 1 1 A 18 18 LYS CB C 18 32.744 31.676 1.068 1
1 152 . 1 1 1 A 18 18 LYS C C 18 177.305 176.078 1.227 1
1 153 . 1 1 1 A 19 19 GLY N N 19 109.072 112.880 -3.808 1
1 154 . 1 1 1 A 19 19 GLY H H 19 8.533 8.270 0.263 1
1 155 . 1 1 1 A 19 19 GLY CA C 19 45.451 46.751 -1.300 1
1 156 . 1 1 1 A 19 19 GLY HA2 H 19 3.884 4.016 -0.132 1
1 157 . 1 1 1 A 19 19 GLY HA3 H 19 3.960 4.037 -0.077 1
1 158 . 1 1 1 A 19 19 GLY C C 19 174.028 173.531 0.497 1
1 159 . 1 1 1 A 20 20 PHE N N 20 119.395 117.185 2.210 1
1 160 . 1 1 1 A 20 20 PHE H H 20 8.014 8.158 -0.144 1
1 161 . 1 1 1 A 20 20 PHE CA C 20 56.992 56.584 0.408 1
1 162 . 1 1 1 A 20 20 PHE HA H 20 5.166 5.352 -0.186 1
1 163 . 1 1 1 A 20 20 PHE CB C 20 43.122 42.958 0.164 1
1 176 . 1 1 1 A 20 20 PHE C C 20 174.247 174.330 -0.083 1
1 177 . 1 1 1 A 21 21 VAL N N 21 119.613 118.119 1.494 1
1 178 . 1 1 1 A 21 21 VAL H H 21 9.282 8.588 0.694 1
1 179 . 1 1 1 A 21 21 VAL CA C 21 60.286 60.257 0.029 1
1 180 . 1 1 1 A 21 21 VAL HA H 21 4.403 4.894 -0.491 1
1 181 . 1 1 1 A 21 21 VAL CB C 21 35.624 35.959 -0.335 1
1 191 . 1 1 1 A 21 21 VAL C C 21 174.077 173.846 0.231 1
1 192 . 1 1 1 A 22 22 THR N N 22 123.150 121.744 1.406 1
1 193 . 1 1 1 A 22 22 THR H H 22 8.226 8.700 -0.474 1
1 194 . 1 1 1 A 22 22 THR CA C 22 61.672 61.101 0.571 1
1 195 . 1 1 1 A 22 22 THR HA H 22 5.214 5.180 0.034 1
1 196 . 1 1 1 A 22 22 THR CB C 22 69.636 71.120 -1.484 1
1 202 . 1 1 1 A 22 22 THR C C 22 174.319 173.610 0.709 1
1 203 . 1 1 1 A 23 23 MET N N 23 125.701 122.888 2.813 1
1 204 . 1 1 1 A 23 23 MET H H 23 9.254 8.990 0.264 1
1 205 . 1 1 1 A 23 23 MET CA C 23 54.250 54.067 0.183 1
1 206 . 1 1 1 A 23 23 MET HA H 23 4.680 5.082 -0.402 1
1 207 . 1 1 1 A 23 23 MET CB C 23 34.967 37.107 -2.140 1
1 217 . 1 1 1 A 23 23 MET C C 23 174.028 174.367 -0.339 1
1 218 . 1 1 1 A 24 24 THR N N 24 109.251 115.671 -6.420 1
1 219 . 1 1 1 A 24 24 THR H H 24 8.410 8.490 -0.080 1
1 220 . 1 1 1 A 24 24 THR CA C 24 59.952 60.832 -0.880 1
1 221 . 1 1 1 A 24 24 THR HA H 24 4.838 5.167 -0.329 1
1 222 . 1 1 1 A 24 24 THR CB C 24 71.427 72.210 -0.783 1
1 228 . 1 1 1 A 24 24 THR C C 24 172.353 173.049 -0.696 1
1 229 . 1 1 1 A 25 25 LEU N N 25 125.384 125.420 -0.036 1
1 230 . 1 1 1 A 25 25 LEU H H 25 8.901 8.432 0.469 1
1 231 . 1 1 1 A 25 25 LEU CA C 25 53.373 54.134 -0.761 1
1 232 . 1 1 1 A 25 25 LEU HA H 25 5.333 5.012 0.321 1
1 233 . 1 1 1 A 25 25 LEU CB C 25 45.607 45.250 0.357 1
1 246 . 1 1 1 A 25 25 LEU C C 25 175.606 175.085 0.521 1
1 247 . 1 1 1 A 26 26 GLU N N 26 125.482 127.262 -1.780 1
1 248 . 1 1 1 A 26 26 GLU H H 26 9.147 8.969 0.178 1
1 249 . 1 1 1 A 26 26 GLU CA C 26 56.010 55.887 0.123 1
1 250 . 1 1 1 A 26 26 GLU HA H 26 4.922 4.638 0.284 1
1 251 . 1 1 1 A 26 26 GLU CB C 26 33.588 30.933 2.655 1
1 257 . 1 1 1 A 26 26 GLU C C 26 175.387 176.197 -0.810 1
1 258 . 1 1 1 A 27 27 SER N N 27 118.827 119.850 -1.023 1
1 259 . 1 1 1 A 27 27 SER H H 27 8.432 9.100 -0.668 1
1 260 . 1 1 1 A 27 27 SER CA C 27 55.236 56.758 -1.522 1
1 261 . 1 1 1 A 27 27 SER HA H 27 3.720 3.432 0.288 1
1 262 . 1 1 1 A 27 27 SER CB C 27 63.703 64.472 -0.769 1
1 265 . 1 1 1 A 27 27 SER C C 27 173.980 174.091 -0.111 1
1 266 . 1 1 1 A 28 28 LEU N N 28 121.319 122.034 -0.715 1
1 267 . 1 1 1 A 28 28 LEU H H 28 7.990 8.268 -0.278 1
1 268 . 1 1 1 A 28 28 LEU CA C 28 55.887 55.884 0.003 1
1 269 . 1 1 1 A 28 28 LEU HA H 28 4.071 4.214 -0.143 1
1 270 . 1 1 1 A 28 28 LEU CB C 28 42.184 42.429 -0.245 1
1 283 . 1 1 1 A 28 28 LEU C C 28 177.159 176.121 1.038 1
1 284 . 1 1 1 A 29 29 GLU N N 29 115.740 115.253 0.487 1
1 285 . 1 1 1 A 29 29 GLU H H 29 7.458 7.467 -0.009 1
1 286 . 1 1 1 A 29 29 GLU CA C 29 53.658 55.296 -1.638 1
1 287 . 1 1 1 A 29 29 GLU HA H 29 4.444 4.547 -0.103 1
1 288 . 1 1 1 A 29 29 GLU CB C 29 33.209 33.207 0.002 1
1 294 . 1 1 1 A 29 29 GLU C C 29 174.417 174.746 -0.329 1
1 295 . 1 1 1 A 30 30 GLU N N 30 122.052 120.853 1.199 1
1 296 . 1 1 1 A 30 30 GLU H H 30 8.500 8.364 0.136 1
1 297 . 1 1 1 A 30 30 GLU CA C 30 57.621 57.236 0.385 1
1 298 . 1 1 1 A 30 30 GLU HA H 30 4.297 4.602 -0.305 1
1 299 . 1 1 1 A 30 30 GLU CB C 30 30.403 30.462 -0.059 1
1 305 . 1 1 1 A 30 30 GLU C C 30 177.087 176.377 0.710 1
1 306 . 1 1 1 A 31 31 ILE N N 31 120.377 117.994 2.383 1
1 307 . 1 1 1 A 31 31 ILE H H 31 8.828 8.623 0.205 1
1 308 . 1 1 1 A 31 31 ILE CA C 31 59.741 58.425 1.316 1
1 309 . 1 1 1 A 31 31 ILE HA H 31 4.680 4.752 -0.072 1
1 310 . 1 1 1 A 31 31 ILE CB C 31 40.845 40.742 0.103 1
1 323 . 1 1 1 A 31 31 ILE C C 31 175.776 176.514 -0.738 1
1 324 . 1 1 1 A 32 32 GLN N N 32 119.444 121.838 -2.394 1
1 325 . 1 1 1 A 32 32 GLN H H 32 8.668 8.518 0.150 1
1 326 . 1 1 1 A 32 32 GLN CA C 32 57.277 58.194 -0.917 1
1 327 . 1 1 1 A 32 32 GLN HA H 32 4.302 4.266 0.036 1
1 328 . 1 1 1 A 32 32 GLN CB C 32 30.079 29.507 0.572 1
1 337 . 1 1 1 A 32 32 GLN C C 32 175.824 174.780 1.044 1
1 338 . 1 1 1 A 33 33 ASP N N 33 113.908 117.505 -3.597 1
1 339 . 1 1 1 A 33 33 ASP H H 33 7.684 7.881 -0.197 1
1 340 . 1 1 1 A 33 33 ASP CA C 33 53.441 53.223 0.218 1
1 341 . 1 1 1 A 33 33 ASP HA H 33 4.754 4.883 -0.129 1
1 342 . 1 1 1 A 33 33 ASP CB C 33 43.727 43.606 0.121 1
1 345 . 1 1 1 A 33 33 ASP C C 33 175.824 175.719 0.105 1
1 346 . 1 1 1 A 34 34 VAL N N 34 114.196 122.943 -8.747 1
1 347 . 1 1 1 A 34 34 VAL H H 34 8.640 8.751 -0.111 1
1 348 . 1 1 1 A 34 34 VAL CA C 34 64.836 65.177 -0.341 1
1 349 . 1 1 1 A 34 34 VAL HA H 34 3.910 3.910 0.000 1
1 350 . 1 1 1 A 34 34 VAL CB C 34 31.539 31.594 -0.055 1
1 360 . 1 1 1 A 34 34 VAL C C 34 177.669 177.964 -0.295 1
1 361 . 1 1 1 A 35 35 SER N N 35 120.001 116.471 3.530 1
1 362 . 1 1 1 A 35 35 SER H H 35 9.274 8.501 0.773 1
1 363 . 1 1 1 A 35 35 SER CA C 35 62.276 61.579 0.697 1
1 364 . 1 1 1 A 35 35 SER HA H 35 4.448 4.367 0.081 1
1 365 . 1 1 1 A 35 35 SER CB C 35 62.255 62.537 -0.282 1
1 368 . 1 1 1 A 35 35 SER C C 35 177.305 177.052 0.253 1
1 369 . 1 1 1 A 36 36 CYS N N 36 120.840 119.620 1.220 1
1 370 . 1 1 1 A 36 36 CYS H H 36 7.894 8.262 -0.368 1
1 371 . 1 1 1 A 36 36 CYS CA C 36 62.416 62.740 -0.324 1
1 372 . 1 1 1 A 36 36 CYS HA H 36 4.310 4.240 0.070 1
1 373 . 1 1 1 A 36 36 CYS CB C 36 28.189 26.766 1.423 1
1 376 . 1 1 1 A 36 36 CYS C C 36 177.257 177.480 -0.223 1
1 377 . 1 1 1 A 37 37 ALA N N 37 122.247 121.851 0.396 1
1 378 . 1 1 1 A 37 37 ALA H H 37 7.343 8.049 -0.706 1
1 379 . 1 1 1 A 37 37 ALA CA C 37 54.145 54.981 -0.836 1
1 380 . 1 1 1 A 37 37 ALA HA H 37 3.546 3.723 -0.177 1
1 381 . 1 1 1 A 37 37 ALA CB C 37 20.009 18.806 1.203 1
1 385 . 1 1 1 A 37 37 ALA C C 37 178.883 179.906 -1.023 1
1 386 . 1 1 1 A 38 38 TRP N N 38 117.352 118.654 -1.302 1
1 387 . 1 1 1 A 38 38 TRP H H 38 7.937 8.594 -0.657 1
1 388 . 1 1 1 A 38 38 TRP CA C 38 60.600 59.846 0.754 1
1 389 . 1 1 1 A 38 38 TRP HA H 38 4.276 4.439 -0.163 1
1 390 . 1 1 1 A 38 38 TRP CB C 38 29.693 28.947 0.746 1
1 405 . 1 1 1 A 38 38 TRP C C 38 178.664 179.251 -0.587 1
1 406 . 1 1 1 A 39 39 LYS N N 39 117.638 119.103 -1.465 1
1 407 . 1 1 1 A 39 39 LYS H H 39 8.102 8.570 -0.468 1
1 408 . 1 1 1 A 39 39 LYS CA C 39 60.009 59.372 0.637 1
1 409 . 1 1 1 A 39 39 LYS HA H 39 4.031 3.989 0.042 1
1 410 . 1 1 1 A 39 39 LYS CB C 39 32.471 31.993 0.478 1
1 421 . 1 1 1 A 39 39 LYS C C 39 178.713 178.980 -0.267 1
1 422 . 1 1 1 A 40 40 GLU N N 40 120.486 120.029 0.457 1
1 423 . 1 1 1 A 40 40 GLU H H 40 6.821 7.801 -0.980 1
1 424 . 1 1 1 A 40 40 GLU CA C 40 58.486 59.076 -0.590 1
1 425 . 1 1 1 A 40 40 GLU HA H 40 4.350 4.062 0.288 1
1 426 . 1 1 1 A 40 40 GLU CB C 40 28.459 29.420 -0.961 1
1 432 . 1 1 1 A 40 40 GLU C C 40 178.543 179.002 -0.459 1
1 433 . 1 1 1 A 41 41 LEU N N 41 119.356 120.256 -0.900 1
1 434 . 1 1 1 A 41 41 LEU H H 41 8.291 8.408 -0.117 1
1 435 . 1 1 1 A 41 41 LEU CA C 41 59.002 58.079 0.923 1
1 436 . 1 1 1 A 41 41 LEU HA H 41 3.947 4.129 -0.182 1
1 437 . 1 1 1 A 41 41 LEU CB C 41 41.914 41.451 0.463 1
1 450 . 1 1 1 A 41 41 LEU C C 41 178.106 179.306 -1.200 1
1 451 . 1 1 1 A 42 42 ASN N N 42 113.310 117.250 -3.940 1
1 452 . 1 1 1 A 42 42 ASN H H 42 8.350 8.396 -0.046 1
1 453 . 1 1 1 A 42 42 ASN CA C 42 55.623 56.452 -0.829 1
1 454 . 1 1 1 A 42 42 ASN HA H 42 4.420 4.501 -0.081 1
1 455 . 1 1 1 A 42 42 ASN CB C 42 39.318 37.895 1.423 1
1 461 . 1 1 1 A 42 42 ASN C C 42 176.820 177.230 -0.410 1
1 462 . 1 1 1 A 43 43 ARG N N 43 117.734 117.474 0.260 1
1 463 . 1 1 1 A 43 43 ARG H H 43 7.578 8.366 -0.788 1
1 464 . 1 1 1 A 43 43 ARG CA C 43 58.301 56.943 1.358 1
1 465 . 1 1 1 A 43 43 ARG HA H 43 4.227 4.302 -0.075 1
1 466 . 1 1 1 A 43 43 ARG CB C 43 31.361 30.413 0.948 1
1 475 . 1 1 1 A 43 43 ARG C C 43 178.106 177.162 0.944 1
1 476 . 1 1 1 A 44 44 LYS N N 44 115.502 116.683 -1.181 1
1 477 . 1 1 1 A 44 44 LYS H H 44 7.365 7.635 -0.270 1
1 478 . 1 1 1 A 44 44 LYS CA C 44 55.367 55.958 -0.591 1
1 479 . 1 1 1 A 44 44 LYS HA H 44 4.280 4.454 -0.174 1
1 480 . 1 1 1 A 44 44 LYS CB C 44 34.289 34.467 -0.178 1
1 491 . 1 1 1 A 44 44 LYS C C 44 176.504 175.981 0.523 1
1 492 . 1 1 1 A 45 45 LEU N N 45 118.486 119.547 -1.061 1
1 493 . 1 1 1 A 45 45 LEU H H 45 7.977 7.688 0.289 1
1 494 . 1 1 1 A 45 45 LEU CA C 45 53.335 53.277 0.058 1
1 495 . 1 1 1 A 45 45 LEU HA H 45 4.882 4.875 0.007 1
1 496 . 1 1 1 A 45 45 LEU CB C 45 45.307 45.609 -0.302 1
1 509 . 1 1 1 A 45 45 LEU C C 45 176.771 176.207 0.564 1
1 510 . 1 1 1 A 46 46 SER N N 46 116.809 118.307 -1.498 1
1 511 . 1 1 1 A 46 46 SER H H 46 9.074 8.867 0.207 1
1 512 . 1 1 1 A 46 46 SER CA C 46 57.981 58.220 -0.239 1
1 513 . 1 1 1 A 46 46 SER HA H 46 4.407 4.545 -0.138 1
1 514 . 1 1 1 A 46 46 SER CB C 46 64.496 64.116 0.380 1
1 517 . 1 1 1 A 46 46 SER C C 46 175.387 175.977 -0.590 1
1 518 . 1 1 1 A 47 47 SER N N 47 117.511 119.247 -1.736 1
1 519 . 1 1 1 A 47 47 SER H H 47 8.955 9.086 -0.131 1
1 520 . 1 1 1 A 47 47 SER CA C 47 61.523 61.977 -0.454 1
1 521 . 1 1 1 A 47 47 SER HA H 47 4.197 4.120 0.077 1
1 522 . 1 1 1 A 47 47 SER CB C 47 62.412 62.432 -0.020 1
1 525 . 1 1 1 A 48 48 ASN H H 48 8.475 8.298 0.177 1
1 526 . 1 1 1 A 48 48 ASN CA C 48 56.327 56.239 0.088 1
1 527 . 1 1 1 A 48 48 ASN HA H 48 4.421 4.432 -0.011 1
1 528 . 1 1 1 A 48 48 ASN CB C 48 38.635 38.202 0.433 1
1 534 . 1 1 1 A 48 48 ASN C C 48 177.232 177.687 -0.455 1
1 535 . 1 1 1 A 49 49 ALA N N 49 123.504 122.187 1.317 1
1 536 . 1 1 1 A 49 49 ALA H H 49 7.837 7.725 0.112 1
1 537 . 1 1 1 A 49 49 ALA CA C 49 55.271 54.926 0.345 1
1 538 . 1 1 1 A 49 49 ALA HA H 49 4.171 4.077 0.094 1
1 539 . 1 1 1 A 49 49 ALA CB C 49 19.301 18.178 1.123 1
1 543 . 1 1 1 A 49 49 ALA C C 49 179.830 180.174 -0.344 1
1 544 . 1 1 1 A 50 50 VAL N N 50 115.694 117.725 -2.031 1
1 545 . 1 1 1 A 50 50 VAL H H 50 8.069 8.557 -0.488 1
1 546 . 1 1 1 A 50 50 VAL CA C 50 65.728 65.030 0.698 1
1 547 . 1 1 1 A 50 50 VAL HA H 50 3.645 3.751 -0.106 1
1 548 . 1 1 1 A 50 50 VAL CB C 50 31.836 31.028 0.808 1
1 558 . 1 1 1 A 50 50 VAL C C 50 178.567 177.671 0.896 1
1 559 . 1 1 1 A 51 51 SER N N 51 114.048 118.203 -4.155 1
1 560 . 1 1 1 A 51 51 SER H H 51 7.849 7.976 -0.127 1
1 561 . 1 1 1 A 51 51 SER CA C 51 60.756 61.787 -1.031 1
1 562 . 1 1 1 A 51 51 SER HA H 51 4.334 4.285 0.049 1
1 563 . 1 1 1 A 51 51 SER CB C 51 63.383 63.059 0.324 1
1 565 . 1 1 1 A 51 51 SER C C 51 174.635 176.100 -1.465 1
1 566 . 1 1 1 A 52 52 GLN N N 52 118.482 117.884 0.598 1
1 567 . 1 1 1 A 52 52 GLN H H 52 7.564 7.966 -0.402 1
1 568 . 1 1 1 A 52 52 GLN CA C 52 55.306 57.640 -2.334 1
1 569 . 1 1 1 A 52 52 GLN HA H 52 4.389 4.352 0.037 1
1 570 . 1 1 1 A 52 52 GLN CB C 52 29.217 28.981 0.236 1
1 579 . 1 1 1 A 52 52 GLN C C 52 175.315 176.549 -1.234 1
1 580 . 1 1 1 A 53 53 ILE N N 53 119.847 121.927 -2.080 1
1 581 . 1 1 1 A 53 53 ILE H H 53 7.281 7.337 -0.056 1
1 582 . 1 1 1 A 53 53 ILE CA C 53 62.903 62.042 0.861 1
1 583 . 1 1 1 A 53 53 ILE HA H 53 4.417 3.865 0.552 1
1 584 . 1 1 1 A 53 53 ILE CB C 53 38.124 37.088 1.036 1
1 597 . 1 1 1 A 53 53 ILE C C 53 176.383 175.436 0.947 1
1 598 . 1 1 1 A 54 54 THR N N 54 120.582 120.444 0.138 1
1 599 . 1 1 1 A 54 54 THR H H 54 9.046 8.818 0.228 1
1 600 . 1 1 1 A 54 54 THR CA C 54 59.846 59.568 0.278 1
1 601 . 1 1 1 A 54 54 THR HA H 54 4.834 5.014 -0.180 1
1 602 . 1 1 1 A 54 54 THR CB C 54 71.904 71.948 -0.044 1
1 608 . 1 1 1 A 54 54 THR C C 54 172.135 173.303 -1.168 1
1 609 . 1 1 1 A 55 55 ARG N N 55 118.375 123.442 -5.067 1
1 610 . 1 1 1 A 55 55 ARG H H 55 8.511 8.836 -0.325 1
1 611 . 1 1 1 A 55 55 ARG CA C 55 57.312 56.868 0.444 1
1 612 . 1 1 1 A 55 55 ARG HA H 55 3.782 3.838 -0.056 1
1 613 . 1 1 1 A 55 55 ARG CB C 55 28.704 27.754 0.950 1
1 622 . 1 1 1 A 55 55 ARG C C 55 174.684 174.850 -0.166 1
1 623 . 1 1 1 A 56 56 MET N N 56 118.525 117.734 0.791 1
1 624 . 1 1 1 A 56 56 MET H H 56 8.279 7.941 0.338 1
1 625 . 1 1 1 A 56 56 MET CA C 56 55.799 56.039 -0.240 1
1 626 . 1 1 1 A 56 56 MET HA H 56 5.188 4.781 0.407 1
1 627 . 1 1 1 A 56 56 MET CB C 56 33.062 33.348 -0.286 1
1 637 . 1 1 1 A 56 56 MET C C 56 177.572 175.183 2.389 1
1 638 . 1 1 1 A 57 57 CYS N N 57 126.541 126.603 -0.062 1
1 639 . 1 1 1 A 57 57 CYS H H 57 9.340 8.977 0.363 1
1 640 . 1 1 1 A 57 57 CYS CA C 57 57.171 57.461 -0.290 1
1 641 . 1 1 1 A 57 57 CYS HA H 57 4.794 5.261 -0.467 1
1 642 . 1 1 1 A 57 57 CYS CB C 57 31.161 32.243 -1.082 1
1 645 . 1 1 1 A 57 57 CYS C C 57 173.057 173.503 -0.446 1
1 646 . 1 1 1 A 58 58 LEU N N 58 123.786 124.403 -0.617 1
1 647 . 1 1 1 A 58 58 LEU H H 58 8.682 8.557 0.125 1
1 648 . 1 1 1 A 58 58 LEU CA C 58 55.975 53.858 2.117 1
1 649 . 1 1 1 A 58 58 LEU HA H 58 4.520 4.629 -0.109 1
1 650 . 1 1 1 A 58 58 LEU CB C 58 43.097 42.346 0.751 1
1 663 . 1 1 1 A 58 58 LEU C C 58 177.960 177.190 0.770 1
1 664 . 1 1 1 A 59 59 LEU N N 59 124.007 125.149 -1.142 1
1 665 . 1 1 1 A 59 59 LEU H H 59 8.269 8.668 -0.399 1
1 666 . 1 1 1 A 59 59 LEU CA C 59 54.156 55.063 -0.907 1
1 667 . 1 1 1 A 59 59 LEU HA H 59 4.261 4.247 0.014 1
1 668 . 1 1 1 A 59 59 LEU CB C 59 42.986 42.411 0.575 1
1 681 . 1 1 1 A 59 59 LEU C C 59 177.645 176.713 0.932 1
1 682 . 1 1 1 A 60 60 LYS N N 60 122.593 122.651 -0.058 1
1 683 . 1 1 1 A 60 60 LYS H H 60 8.458 8.643 -0.185 1
1 684 . 1 1 1 A 60 60 LYS CA C 60 58.263 57.832 0.431 1
1 685 . 1 1 1 A 60 60 LYS HA H 60 4.101 4.102 -0.001 1
1 686 . 1 1 1 A 60 60 LYS CB C 60 31.732 32.428 -0.696 1
1 696 . 1 1 1 A 60 60 LYS C C 60 178.422 177.195 1.227 1
1 697 . 1 1 1 A 61 61 GLY H H 61 9.070 8.248 0.822 1
1 698 . 1 1 1 A 61 61 GLY CA C 61 45.355 45.150 0.205 1
1 699 . 1 1 1 A 61 61 GLY HA2 H 61 3.641 3.990 -0.349 1
1 700 . 1 1 1 A 61 61 GLY HA3 H 61 4.223 3.994 0.229 1
1 701 . 1 1 1 A 61 61 GLY C C 61 173.907 174.900 -0.993 1
1 702 . 1 1 1 A 62 62 ASN N N 62 112.617 114.061 -1.444 1
1 703 . 1 1 1 A 62 62 ASN H H 62 8.639 8.424 0.215 1
1 704 . 1 1 1 A 62 62 ASN CA C 62 55.115 54.710 0.405 1
1 705 . 1 1 1 A 62 62 ASN HA H 62 4.208 4.448 -0.240 1
1 706 . 1 1 1 A 62 62 ASN CB C 62 36.133 37.187 -1.054 1
1 712 . 1 1 1 A 62 62 ASN C C 62 173.810 175.327 -1.517 1
1 713 . 1 1 1 A 63 63 MET N N 63 114.254 116.321 -2.067 1
1 714 . 1 1 1 A 63 63 MET H H 63 7.967 8.264 -0.297 1
1 715 . 1 1 1 A 63 63 MET CA C 63 53.229 55.779 -2.550 1
1 716 . 1 1 1 A 63 63 MET HA H 63 4.908 4.509 0.399 1
1 717 . 1 1 1 A 63 63 MET CB C 63 29.363 33.335 -3.972 1
1 727 . 1 1 1 A 63 63 MET C C 63 175.436 175.365 0.071 1
1 728 . 1 1 1 A 64 64 GLY N N 64 102.826 106.882 -4.056 1
1 729 . 1 1 1 A 64 64 GLY H H 64 7.039 7.508 -0.469 1
1 730 . 1 1 1 A 64 64 GLY CA C 64 45.381 45.881 -0.500 1
1 731 . 1 1 1 A 64 64 GLY HA2 H 64 4.902 4.095 0.807 1
1 732 . 1 1 1 A 64 64 GLY HA3 H 64 4.026 4.194 -0.168 1
1 733 . 1 1 1 A 64 64 GLY C C 64 171.868 171.329 0.539 1
1 734 . 1 1 1 A 65 65 VAL N N 65 110.602 115.212 -4.610 1
1 735 . 1 1 1 A 65 65 VAL H H 65 8.994 8.663 0.331 1
1 736 . 1 1 1 A 65 65 VAL CA C 65 58.892 59.093 -0.201 1
1 737 . 1 1 1 A 65 65 VAL HA H 65 5.511 5.042 0.469 1
1 738 . 1 1 1 A 65 65 VAL CB C 65 36.392 35.750 0.642 1
1 748 . 1 1 1 A 65 65 VAL C C 65 174.319 174.153 0.166 1
1 749 . 1 1 1 A 66 66 CYS N N 66 115.721 120.281 -4.560 1
1 750 . 1 1 1 A 66 66 CYS H H 66 9.175 8.902 0.273 1
1 751 . 1 1 1 A 66 66 CYS CA C 66 54.912 57.190 -2.278 1
1 752 . 1 1 1 A 66 66 CYS HA H 66 5.590 5.433 0.157 1
1 753 . 1 1 1 A 66 66 CYS CB C 66 31.672 31.198 0.474 1
1 756 . 1 1 1 A 66 66 CYS C C 66 171.941 173.513 -1.572 1
1 757 . 1 1 1 A 67 67 PHE N N 67 114.941 118.522 -3.581 1
1 758 . 1 1 1 A 67 67 PHE H H 67 8.220 8.386 -0.166 1
1 759 . 1 1 1 A 67 67 PHE CA C 67 56.468 55.820 0.648 1
1 760 . 1 1 1 A 67 67 PHE HA H 67 4.879 5.200 -0.321 1
1 761 . 1 1 1 A 67 67 PHE CB C 67 39.366 40.840 -1.474 1
1 774 . 1 1 1 A 67 67 PHE C C 67 171.552 171.922 -0.370 1
1 775 . 1 1 1 A 68 68 ASP N N 68 119.507 119.593 -0.086 1
1 776 . 1 1 1 A 68 68 ASP H H 68 9.072 9.087 -0.015 1
1 777 . 1 1 1 A 68 68 ASP CA C 68 52.737 52.696 0.041 1
1 778 . 1 1 1 A 68 68 ASP HA H 68 5.901 5.848 0.053 1
1 779 . 1 1 1 A 68 68 ASP CB C 68 42.545 44.211 -1.666 1
1 782 . 1 1 1 A 68 68 ASP C C 68 176.116 175.175 0.941 1
1 783 . 1 1 1 A 69 69 VAL N N 69 114.937 117.254 -2.317 1
1 784 . 1 1 1 A 69 69 VAL H H 69 8.819 8.755 0.064 1
1 785 . 1 1 1 A 69 69 VAL CA C 69 58.051 58.155 -0.104 1
1 786 . 1 1 1 A 69 69 VAL HA H 69 5.205 4.604 0.601 1
1 787 . 1 1 1 A 69 69 VAL CB C 69 35.698 35.214 0.484 1
1 797 . 1 1 1 A 69 69 VAL C C 69 173.154 173.543 -0.389 1
1 798 . 1 1 1 A 70 70 PRO CA C 70 62.946 61.541 1.405 1
1 799 . 1 1 1 A 70 70 PRO HA H 70 4.479 4.228 0.251 1
1 800 . 1 1 1 A 70 70 PRO CB C 70 32.255 32.549 -0.294 1
1 809 . 1 1 1 A 70 70 PRO C C 70 178.737 177.325 1.412 1
1 810 . 1 1 1 A 71 71 THR N N 71 119.743 114.965 4.778 1
1 811 . 1 1 1 A 71 71 THR H H 71 8.401 8.611 -0.210 1
1 812 . 1 1 1 A 71 71 THR CA C 71 66.415 64.971 1.444 1
1 813 . 1 1 1 A 71 71 THR HA H 71 3.761 3.875 -0.114 1
1 814 . 1 1 1 A 71 71 THR CB C 71 68.476 68.697 -0.221 1
1 820 . 1 1 1 A 71 71 THR C C 71 176.965 175.900 1.065 1
1 821 . 1 1 1 A 72 72 THR N N 72 109.724 114.547 -4.823 1
1 822 . 1 1 1 A 72 72 THR H H 72 7.747 8.198 -0.451 1
1 823 . 1 1 1 A 72 72 THR CA C 72 64.100 65.384 -1.284 1
1 824 . 1 1 1 A 72 72 THR HA H 72 4.120 4.013 0.107 1
1 825 . 1 1 1 A 72 72 THR CB C 72 68.471 68.392 0.079 1
1 831 . 1 1 1 A 72 72 THR C C 72 175.849 176.539 -0.690 1
1 832 . 1 1 1 A 73 73 GLU N N 73 118.626 122.303 -3.677 1
1 833 . 1 1 1 A 73 73 GLU H H 73 7.767 8.331 -0.564 1
1 834 . 1 1 1 A 73 73 GLU CA C 73 55.623 59.227 -3.604 1
1 835 . 1 1 1 A 73 73 GLU HA H 73 4.587 4.112 0.475 1
1 836 . 1 1 1 A 73 73 GLU CB C 73 30.542 29.194 1.348 1
1 842 . 1 1 1 A 73 73 GLU C C 73 177.257 178.585 -1.328 1
1 843 . 1 1 1 A 74 74 SER N N 74 114.932 114.928 0.004 1
1 844 . 1 1 1 A 74 74 SER H H 74 7.442 7.995 -0.553 1
1 845 . 1 1 1 A 74 74 SER CA C 74 62.099 61.615 0.484 1
1 846 . 1 1 1 A 74 74 SER HA H 74 3.938 4.039 -0.101 1
1 847 . 1 1 1 A 74 74 SER CB C 74 63.067 62.986 0.081 1
1 850 . 1 1 1 A 74 74 SER C C 74 176.528 177.101 -0.573 1
1 851 . 1 1 1 A 75 75 GLU N N 75 120.907 121.531 -0.624 1
1 852 . 1 1 1 A 75 75 GLU H H 75 8.350 7.323 1.027 1
1 853 . 1 1 1 A 75 75 GLU CA C 75 59.706 59.555 0.151 1
1 854 . 1 1 1 A 75 75 GLU HA H 75 4.045 4.102 -0.057 1
1 855 . 1 1 1 A 75 75 GLU CB C 75 29.085 28.963 0.122 1
1 861 . 1 1 1 A 75 75 GLU C C 75 179.320 179.073 0.247 1
1 862 . 1 1 1 A 76 76 ARG N N 76 121.343 120.046 1.297 1
1 863 . 1 1 1 A 76 76 ARG H H 76 7.948 7.945 0.003 1
1 864 . 1 1 1 A 76 76 ARG CA C 76 59.188 58.931 0.257 1
1 865 . 1 1 1 A 76 76 ARG HA H 76 4.094 4.100 -0.006 1
1 866 . 1 1 1 A 76 76 ARG CB C 76 29.726 29.811 -0.085 1
1 875 . 1 1 1 A 76 76 ARG C C 76 178.373 178.470 -0.097 1
1 876 . 1 1 1 A 77 77 LEU N N 77 120.110 120.471 -0.361 1
1 877 . 1 1 1 A 77 77 LEU H H 77 8.029 8.721 -0.692 1
1 878 . 1 1 1 A 77 77 LEU CA C 77 59.809 57.949 1.860 1
1 879 . 1 1 1 A 77 77 LEU HA H 77 3.975 3.967 0.008 1
1 880 . 1 1 1 A 77 77 LEU CB C 77 42.216 41.569 0.647 1
1 893 . 1 1 1 A 77 77 LEU C C 77 178.810 179.539 -0.729 1
1 894 . 1 1 1 A 78 78 GLN N N 78 114.090 118.163 -4.073 1
1 895 . 1 1 1 A 78 78 GLN H H 78 7.680 7.990 -0.310 1
1 896 . 1 1 1 A 78 78 GLN CA C 78 59.600 58.950 0.650 1
1 897 . 1 1 1 A 78 78 GLN HA H 78 3.915 4.124 -0.209 1
1 898 . 1 1 1 A 78 78 GLN CB C 78 30.101 28.383 1.718 1
1 907 . 1 1 1 A 78 78 GLN C C 78 178.325 178.567 -0.242 1
1 908 . 1 1 1 A 79 79 ALA N N 79 119.863 122.318 -2.455 1
1 909 . 1 1 1 A 79 79 ALA H H 79 7.900 8.061 -0.161 1
1 910 . 1 1 1 A 79 79 ALA CA C 79 54.321 55.002 -0.681 1
1 911 . 1 1 1 A 79 79 ALA HA H 79 4.255 4.108 0.147 1
1 912 . 1 1 1 A 79 79 ALA CB C 79 18.596 18.377 0.219 1
1 916 . 1 1 1 A 79 79 ALA C C 79 179.514 179.685 -0.171 1
1 917 . 1 1 1 A 80 80 GLU N N 80 115.847 114.787 1.060 1
1 918 . 1 1 1 A 80 80 GLU H H 80 7.773 8.372 -0.599 1
1 919 . 1 1 1 A 80 80 GLU CA C 80 57.312 57.768 -0.456 1
1 920 . 1 1 1 A 80 80 GLU HA H 80 4.286 4.065 0.221 1
1 921 . 1 1 1 A 80 80 GLU CB C 80 31.095 29.922 1.173 1
1 927 . 1 1 1 A 80 80 GLU C C 80 176.965 176.507 0.458 1
1 928 . 1 1 1 A 81 81 TRP N N 81 122.132 123.009 -0.877 1
1 929 . 1 1 1 A 81 81 TRP H H 81 7.661 7.653 0.008 1
1 930 . 1 1 1 A 81 81 TRP CA C 81 58.641 56.883 1.758 1
1 931 . 1 1 1 A 81 81 TRP HA H 81 4.261 4.689 -0.428 1
1 932 . 1 1 1 A 81 81 TRP CB C 81 29.118 29.655 -0.537 1
1 947 . 1 1 1 A 81 81 TRP C C 81 174.611 174.918 -0.307 1
1 948 . 1 1 1 A 82 82 HIS CA C 82 54.101 54.569 -0.468 1
1 949 . 1 1 1 A 82 82 HIS HA H 82 4.727 4.737 -0.010 1
1 950 . 1 1 1 A 82 82 HIS CB C 82 30.847 31.771 -0.924 1
1 957 . 1 1 1 A 83 83 ASP CA C 83 54.997 55.344 -0.347 1
1 958 . 1 1 1 A 83 83 ASP HA H 83 4.342 4.101 0.241 1
1 959 . 1 1 1 A 83 83 ASP CB C 83 40.395 40.268 0.127 1
1 962 . 1 1 1 A 83 83 ASP C C 83 174.198 174.847 -0.649 1
1 963 . 1 1 1 A 84 84 SER N N 84 111.986 112.877 -0.891 1
1 964 . 1 1 1 A 84 84 SER H H 84 7.863 7.659 0.204 1
1 965 . 1 1 1 A 84 84 SER CA C 84 56.714 56.462 0.252 1
1 966 . 1 1 1 A 84 84 SER HA H 84 4.584 4.763 -0.179 1
1 967 . 1 1 1 A 84 84 SER CB C 84 64.374 64.889 -0.515 1
1 970 . 1 1 1 A 84 84 SER C C 84 174.489 172.871 1.618 1
1 971 . 1 1 1 A 85 85 ASP N N 85 125.547 123.049 2.498 1
1 972 . 1 1 1 A 85 85 ASP H H 85 9.268 8.682 0.586 1
1 973 . 1 1 1 A 85 85 ASP CA C 85 55.447 55.881 -0.434 1
1 974 . 1 1 1 A 85 85 ASP HA H 85 4.704 4.694 0.010 1
1 975 . 1 1 1 A 85 85 ASP CB C 85 40.980 41.656 -0.676 1
1 978 . 1 1 1 A 85 85 ASP C C 85 177.038 177.130 -0.092 1
1 979 . 1 1 1 A 86 86 TRP N N 86 121.831 119.317 2.514 1
1 980 . 1 1 1 A 86 86 TRP H H 86 9.345 8.074 1.271 1
1 981 . 1 1 1 A 86 86 TRP CA C 86 56.967 58.272 -1.305 1
1 982 . 1 1 1 A 86 86 TRP HA H 86 5.091 4.830 0.261 1
1 983 . 1 1 1 A 86 86 TRP CB C 86 29.118 30.787 -1.669 1
1 998 . 1 1 1 A 86 86 TRP C C 86 176.723 177.121 -0.398 1
1 999 . 1 1 1 A 87 87 ILE N N 87 123.116 123.377 -0.261 1
1 1000 . 1 1 1 A 87 87 ILE H H 87 8.965 8.372 0.593 1
1 1001 . 1 1 1 A 87 87 ILE CA C 87 60.595 60.170 0.425 1
1 1002 . 1 1 1 A 87 87 ILE HA H 87 4.462 4.833 -0.371 1
1 1003 . 1 1 1 A 87 87 ILE CB C 87 40.354 39.689 0.665 1
1 1016 . 1 1 1 A 87 87 ILE C C 87 175.824 174.372 1.452 1
1 1017 . 1 1 1 A 88 88 LEU N N 88 134.475 131.266 3.209 1
1 1018 . 1 1 1 A 88 88 LEU H H 88 8.736 9.229 -0.493 1
1 1019 . 1 1 1 A 88 88 LEU CA C 88 53.763 53.264 0.499 1
1 1020 . 1 1 1 A 88 88 LEU HA H 88 5.163 5.100 0.063 1
1 1021 . 1 1 1 A 88 88 LEU CB C 88 43.020 44.645 -1.625 1
1 1034 . 1 1 1 A 88 88 LEU C C 88 175.824 175.325 0.499 1
1 1035 . 1 1 1 A 89 89 SER N N 89 122.016 119.301 2.715 1
1 1036 . 1 1 1 A 89 89 SER H H 89 9.152 8.501 0.651 1
1 1037 . 1 1 1 A 89 89 SER CA C 89 57.242 56.480 0.762 1
1 1038 . 1 1 1 A 89 89 SER HA H 89 4.739 5.122 -0.383 1
1 1039 . 1 1 1 A 89 89 SER CB C 89 65.526 66.774 -1.248 1
1 1042 . 1 1 1 A 89 89 SER C C 89 171.989 172.628 -0.639 1
1 1043 . 1 1 1 A 90 90 VAL N N 90 119.844 120.587 -0.743 1
1 1044 . 1 1 1 A 90 90 VAL H H 90 8.220 8.648 -0.428 1
1 1045 . 1 1 1 A 90 90 VAL CA C 90 59.143 58.929 0.214 1
1 1046 . 1 1 1 A 90 90 VAL HA H 90 4.604 4.573 0.031 1
1 1047 . 1 1 1 A 90 90 VAL CB C 90 33.056 33.031 0.025 1
1 1057 . 1 1 1 A 90 90 VAL C C 90 174.198 174.320 -0.122 1
1 1058 . 1 1 1 A 91 91 PRO CA C 91 63.467 62.313 1.154 1
1 1059 . 1 1 1 A 91 91 PRO HA H 91 4.329 4.620 -0.291 1
1 1060 . 1 1 1 A 91 91 PRO CB C 91 32.003 33.090 -1.087 1
1 1069 . 1 1 1 A 91 91 PRO C C 91 175.557 176.636 -1.079 1
1 1 . 2 1 1 A 6 6 SER CA C 6 58.720 57.067 1.653 1
1 2 . 2 1 1 A 6 6 SER HA H 6 4.456 5.542 -1.086 1
1 3 . 2 1 1 A 6 6 SER CB C 6 63.880 66.540 -2.660 1
1 6 . 2 1 1 A 6 6 SER C C 6 174.951 173.878 1.073 1
1 7 . 2 1 1 A 7 7 GLY N N 7 110.558 109.461 1.097 1
1 8 . 2 1 1 A 7 7 GLY H H 7 8.377 8.434 -0.057 1
1 9 . 2 1 1 A 7 7 GLY CA C 7 45.205 45.495 -0.290 1
1 10 . 2 1 1 A 7 7 GLY HA2 H 7 3.879 4.125 -0.246 1
1 11 . 2 1 1 A 7 7 GLY HA3 H 7 3.910 4.169 -0.259 1
1 12 . 2 1 1 A 7 7 GLY C C 7 173.615 172.859 0.756 1
1 13 . 2 1 1 A 8 8 PHE N N 8 119.857 117.935 1.922 1
1 14 . 2 1 1 A 8 8 PHE H H 8 8.062 8.438 -0.376 1
1 15 . 2 1 1 A 8 8 PHE CA C 8 57.418 57.653 -0.235 1
1 16 . 2 1 1 A 8 8 PHE HA H 8 4.624 4.637 -0.013 1
1 17 . 2 1 1 A 8 8 PHE CB C 8 39.749 39.665 0.084 1
1 30 . 2 1 1 A 8 8 PHE C C 8 175.242 175.480 -0.238 1
1 31 . 2 1 1 A 9 9 GLU N N 9 124.807 121.072 3.735 1
1 32 . 2 1 1 A 9 9 GLU H H 9 8.311 9.020 -0.709 1
1 33 . 2 1 1 A 9 9 GLU CA C 9 54.034 54.163 -0.129 1
1 34 . 2 1 1 A 9 9 GLU HA H 9 4.546 4.934 -0.388 1
1 35 . 2 1 1 A 9 9 GLU CB C 9 29.859 30.264 -0.405 1
1 40 . 2 1 1 A 9 9 GLU C C 9 174.125 173.998 0.127 1
1 41 . 2 1 1 A 10 10 PRO CA C 10 63.366 62.789 0.577 1
1 42 . 2 1 1 A 10 10 PRO HA H 10 4.334 4.826 -0.492 1
1 43 . 2 1 1 A 10 10 PRO CB C 10 32.033 33.477 -1.444 1
1 52 . 2 1 1 A 10 10 PRO C C 10 177.062 176.558 0.504 1
1 53 . 2 1 1 A 11 11 ARG N N 11 120.726 118.670 2.056 1
1 54 . 2 1 1 A 11 11 ARG H H 11 8.477 8.367 0.110 1
1 55 . 2 1 1 A 11 11 ARG CA C 11 56.175 55.439 0.736 1
1 56 . 2 1 1 A 11 11 ARG HA H 11 4.318 4.652 -0.334 1
1 57 . 2 1 1 A 11 11 ARG CB C 11 30.831 30.832 -0.001 1
1 66 . 2 1 1 A 11 11 ARG C C 11 176.455 175.595 0.860 1
1 67 . 2 1 1 A 12 12 SER N N 12 116.599 112.817 3.782 1
1 68 . 2 1 1 A 12 12 SER H H 12 8.289 7.750 0.539 1
1 69 . 2 1 1 A 12 12 SER CA C 12 58.330 57.228 1.102 1
1 70 . 2 1 1 A 12 12 SER HA H 12 4.396 4.702 -0.306 1
1 71 . 2 1 1 A 12 12 SER CB C 12 63.633 64.389 -0.756 1
1 74 . 2 1 1 A 12 12 SER C C 12 174.465 172.215 2.250 1
1 75 . 2 1 1 A 13 13 LEU N N 13 124.186 123.336 0.850 1
1 76 . 2 1 1 A 13 13 LEU H H 13 8.275 8.507 -0.232 1
1 77 . 2 1 1 A 13 13 LEU CA C 13 55.306 54.645 0.661 1
1 78 . 2 1 1 A 13 13 LEU HA H 13 4.361 4.705 -0.344 1
1 79 . 2 1 1 A 13 13 LEU CB C 13 42.350 44.311 -1.961 1
1 92 . 2 1 1 A 13 13 LEU C C 13 177.184 176.973 0.211 1
1 93 . 2 1 1 A 14 14 ILE N N 14 121.445 117.179 4.266 1
1 94 . 2 1 1 A 14 14 ILE H H 14 8.106 7.441 0.665 1
1 95 . 2 1 1 A 14 14 ILE CA C 14 61.248 60.446 0.802 1
1 96 . 2 1 1 A 14 14 ILE HA H 14 4.202 4.278 -0.076 1
1 97 . 2 1 1 A 14 14 ILE CB C 14 38.555 39.245 -0.690 1
1 110 . 2 1 1 A 14 14 ILE C C 14 176.528 176.027 0.501 1
1 111 . 2 1 1 A 15 15 THR N N 15 118.053 115.352 2.701 1
1 112 . 2 1 1 A 15 15 THR H H 15 8.226 8.592 -0.366 1
1 113 . 2 1 1 A 15 15 THR CA C 15 61.573 60.644 0.929 1
1 114 . 2 1 1 A 15 15 THR HA H 15 4.401 4.766 -0.365 1
1 115 . 2 1 1 A 15 15 THR CB C 15 69.795 69.594 0.201 1
1 121 . 2 1 1 A 15 15 THR C C 15 174.538 174.936 -0.398 1
1 122 . 2 1 1 A 16 16 SER N N 16 117.877 120.031 -2.154 1
1 123 . 2 1 1 A 16 16 SER H H 16 8.272 7.568 0.704 1
1 124 . 2 1 1 A 16 16 SER CA C 16 55.830 60.244 -4.414 1
1 125 . 2 1 1 A 16 16 SER HA H 16 4.448 4.261 0.187 1
1 126 . 2 1 1 A 16 16 SER CB C 16 63.880 63.659 0.221 1
1 129 . 2 1 1 A 16 16 SER C C 16 174.247 174.375 -0.128 1
1 130 . 2 1 1 A 17 17 ASP N N 17 122.892 125.736 -2.844 1
1 131 . 2 1 1 A 17 17 ASP H H 17 8.425 8.566 -0.141 1
1 132 . 2 1 1 A 17 17 ASP CA C 17 54.461 53.269 1.192 1
1 133 . 2 1 1 A 17 17 ASP HA H 17 4.611 4.751 -0.140 1
1 134 . 2 1 1 A 17 17 ASP CB C 17 41.340 41.723 -0.383 1
1 137 . 2 1 1 A 17 17 ASP C C 17 176.358 175.516 0.842 1
1 138 . 2 1 1 A 18 18 LYS N N 18 121.459 118.884 2.575 1
1 139 . 2 1 1 A 18 18 LYS H H 18 8.349 8.876 -0.527 1
1 140 . 2 1 1 A 18 18 LYS CA C 18 56.526 57.002 -0.476 1
1 141 . 2 1 1 A 18 18 LYS HA H 18 4.356 4.591 -0.235 1
1 142 . 2 1 1 A 18 18 LYS CB C 18 32.744 34.849 -2.105 1
1 152 . 2 1 1 A 18 18 LYS C C 18 177.305 176.432 0.873 1
1 153 . 2 1 1 A 19 19 GLY N N 19 109.072 104.478 4.594 1
1 154 . 2 1 1 A 19 19 GLY H H 19 8.533 7.585 0.948 1
1 155 . 2 1 1 A 19 19 GLY CA C 19 45.451 45.983 -0.532 1
1 156 . 2 1 1 A 19 19 GLY HA2 H 19 3.884 4.225 -0.341 1
1 157 . 2 1 1 A 19 19 GLY HA3 H 19 3.960 4.246 -0.286 1
1 158 . 2 1 1 A 19 19 GLY C C 19 174.028 172.554 1.474 1
1 159 . 2 1 1 A 20 20 PHE N N 20 119.395 120.371 -0.976 1
1 160 . 2 1 1 A 20 20 PHE H H 20 8.014 8.531 -0.517 1
1 161 . 2 1 1 A 20 20 PHE CA C 20 56.992 56.377 0.615 1
1 162 . 2 1 1 A 20 20 PHE HA H 20 5.166 5.416 -0.250 1
1 163 . 2 1 1 A 20 20 PHE CB C 20 43.122 43.664 -0.542 1
1 176 . 2 1 1 A 20 20 PHE C C 20 174.247 174.102 0.145 1
1 177 . 2 1 1 A 21 21 VAL N N 21 119.613 118.148 1.465 1
1 178 . 2 1 1 A 21 21 VAL H H 21 9.282 9.157 0.125 1
1 179 . 2 1 1 A 21 21 VAL CA C 21 60.286 59.898 0.388 1
1 180 . 2 1 1 A 21 21 VAL HA H 21 4.403 5.034 -0.631 1
1 181 . 2 1 1 A 21 21 VAL CB C 21 35.624 36.023 -0.399 1
1 191 . 2 1 1 A 21 21 VAL C C 21 174.077 173.965 0.112 1
1 192 . 2 1 1 A 22 22 THR N N 22 123.150 122.415 0.735 1
1 193 . 2 1 1 A 22 22 THR H H 22 8.226 8.716 -0.490 1
1 194 . 2 1 1 A 22 22 THR CA C 22 61.672 61.577 0.095 1
1 195 . 2 1 1 A 22 22 THR HA H 22 5.214 5.049 0.165 1
1 196 . 2 1 1 A 22 22 THR CB C 22 69.636 70.446 -0.810 1
1 202 . 2 1 1 A 22 22 THR C C 22 174.319 173.954 0.365 1
1 203 . 2 1 1 A 23 23 MET N N 23 125.701 125.070 0.631 1
1 204 . 2 1 1 A 23 23 MET H H 23 9.254 9.069 0.185 1
1 205 . 2 1 1 A 23 23 MET CA C 23 54.250 53.921 0.329 1
1 206 . 2 1 1 A 23 23 MET HA H 23 4.680 5.098 -0.418 1
1 207 . 2 1 1 A 23 23 MET CB C 23 34.967 34.731 0.236 1
1 217 . 2 1 1 A 23 23 MET C C 23 174.028 174.716 -0.688 1
1 218 . 2 1 1 A 24 24 THR N N 24 109.251 115.172 -5.921 1
1 219 . 2 1 1 A 24 24 THR H H 24 8.410 8.535 -0.125 1
1 220 . 2 1 1 A 24 24 THR CA C 24 59.952 60.907 -0.955 1
1 221 . 2 1 1 A 24 24 THR HA H 24 4.838 5.046 -0.208 1
1 222 . 2 1 1 A 24 24 THR CB C 24 71.427 72.208 -0.781 1
1 228 . 2 1 1 A 24 24 THR C C 24 172.353 172.753 -0.400 1
1 229 . 2 1 1 A 25 25 LEU N N 25 125.384 125.130 0.254 1
1 230 . 2 1 1 A 25 25 LEU H H 25 8.901 8.427 0.474 1
1 231 . 2 1 1 A 25 25 LEU CA C 25 53.373 54.202 -0.829 1
1 232 . 2 1 1 A 25 25 LEU HA H 25 5.333 5.111 0.222 1
1 233 . 2 1 1 A 25 25 LEU CB C 25 45.607 45.952 -0.345 1
1 246 . 2 1 1 A 25 25 LEU C C 25 175.606 174.450 1.156 1
1 247 . 2 1 1 A 26 26 GLU N N 26 125.482 126.457 -0.975 1
1 248 . 2 1 1 A 26 26 GLU H H 26 9.147 9.148 -0.001 1
1 249 . 2 1 1 A 26 26 GLU CA C 26 56.010 54.985 1.025 1
1 250 . 2 1 1 A 26 26 GLU HA H 26 4.922 4.957 -0.035 1
1 251 . 2 1 1 A 26 26 GLU CB C 26 33.588 31.794 1.794 1
1 257 . 2 1 1 A 26 26 GLU C C 26 175.387 175.870 -0.483 1
1 258 . 2 1 1 A 27 27 SER N N 27 118.827 120.835 -2.008 1
1 259 . 2 1 1 A 27 27 SER H H 27 8.432 8.877 -0.445 1
1 260 . 2 1 1 A 27 27 SER CA C 27 55.236 58.140 -2.904 1
1 261 . 2 1 1 A 27 27 SER HA H 27 3.720 3.806 -0.086 1
1 262 . 2 1 1 A 27 27 SER CB C 27 63.703 63.390 0.313 1
1 265 . 2 1 1 A 27 27 SER C C 27 173.980 174.210 -0.230 1
1 266 . 2 1 1 A 28 28 LEU N N 28 121.319 123.588 -2.269 1
1 267 . 2 1 1 A 28 28 LEU H H 28 7.990 8.543 -0.553 1
1 268 . 2 1 1 A 28 28 LEU CA C 28 55.887 55.717 0.170 1
1 269 . 2 1 1 A 28 28 LEU HA H 28 4.071 4.177 -0.106 1
1 270 . 2 1 1 A 28 28 LEU CB C 28 42.184 42.822 -0.638 1
1 283 . 2 1 1 A 28 28 LEU C C 28 177.159 176.504 0.655 1
1 284 . 2 1 1 A 29 29 GLU N N 29 115.740 113.867 1.873 1
1 285 . 2 1 1 A 29 29 GLU H H 29 7.458 7.470 -0.012 1
1 286 . 2 1 1 A 29 29 GLU CA C 29 53.658 55.096 -1.438 1
1 287 . 2 1 1 A 29 29 GLU HA H 29 4.444 4.515 -0.071 1
1 288 . 2 1 1 A 29 29 GLU CB C 29 33.209 30.401 2.808 1
1 294 . 2 1 1 A 29 29 GLU C C 29 174.417 174.824 -0.407 1
1 295 . 2 1 1 A 30 30 GLU N N 30 122.052 119.677 2.375 1
1 296 . 2 1 1 A 30 30 GLU H H 30 8.500 8.322 0.178 1
1 297 . 2 1 1 A 30 30 GLU CA C 30 57.621 56.911 0.710 1
1 298 . 2 1 1 A 30 30 GLU HA H 30 4.297 4.683 -0.386 1
1 299 . 2 1 1 A 30 30 GLU CB C 30 30.403 30.382 0.021 1
1 305 . 2 1 1 A 30 30 GLU C C 30 177.087 176.619 0.468 1
1 306 . 2 1 1 A 31 31 ILE N N 31 120.377 118.467 1.910 1
1 307 . 2 1 1 A 31 31 ILE H H 31 8.828 8.655 0.173 1
1 308 . 2 1 1 A 31 31 ILE CA C 31 59.741 58.315 1.426 1
1 309 . 2 1 1 A 31 31 ILE HA H 31 4.680 4.738 -0.058 1
1 310 . 2 1 1 A 31 31 ILE CB C 31 40.845 40.659 0.186 1
1 323 . 2 1 1 A 31 31 ILE C C 31 175.776 177.128 -1.352 1
1 324 . 2 1 1 A 32 32 GLN N N 32 119.444 121.450 -2.006 1
1 325 . 2 1 1 A 32 32 GLN H H 32 8.668 8.709 -0.041 1
1 326 . 2 1 1 A 32 32 GLN CA C 32 57.277 57.854 -0.577 1
1 327 . 2 1 1 A 32 32 GLN HA H 32 4.302 4.293 0.009 1
1 328 . 2 1 1 A 32 32 GLN CB C 32 30.079 29.584 0.495 1
1 337 . 2 1 1 A 32 32 GLN C C 32 175.824 175.816 0.008 1
1 338 . 2 1 1 A 33 33 ASP N N 33 113.908 116.587 -2.679 1
1 339 . 2 1 1 A 33 33 ASP H H 33 7.684 7.937 -0.253 1
1 340 . 2 1 1 A 33 33 ASP CA C 33 53.441 52.825 0.616 1
1 341 . 2 1 1 A 33 33 ASP HA H 33 4.754 5.079 -0.325 1
1 342 . 2 1 1 A 33 33 ASP CB C 33 43.727 44.536 -0.809 1
1 345 . 2 1 1 A 33 33 ASP C C 33 175.824 176.623 -0.799 1
1 346 . 2 1 1 A 34 34 VAL N N 34 114.196 121.171 -6.975 1
1 347 . 2 1 1 A 34 34 VAL H H 34 8.640 8.787 -0.147 1
1 348 . 2 1 1 A 34 34 VAL CA C 34 64.836 65.055 -0.219 1
1 349 . 2 1 1 A 34 34 VAL HA H 34 3.910 3.854 0.056 1
1 350 . 2 1 1 A 34 34 VAL CB C 34 31.539 31.522 0.017 1
1 360 . 2 1 1 A 34 34 VAL C C 34 177.669 177.614 0.055 1
1 361 . 2 1 1 A 35 35 SER N N 35 120.001 116.571 3.430 1
1 362 . 2 1 1 A 35 35 SER H H 35 9.274 8.214 1.060 1
1 363 . 2 1 1 A 35 35 SER CA C 35 62.276 62.236 0.040 1
1 364 . 2 1 1 A 35 35 SER HA H 35 4.448 4.474 -0.026 1
1 365 . 2 1 1 A 35 35 SER CB C 35 62.255 63.064 -0.809 1
1 368 . 2 1 1 A 35 35 SER C C 35 177.305 176.528 0.777 1
1 369 . 2 1 1 A 36 36 CYS N N 36 120.840 120.687 0.153 1
1 370 . 2 1 1 A 36 36 CYS H H 36 7.894 8.392 -0.498 1
1 371 . 2 1 1 A 36 36 CYS CA C 36 62.416 62.771 -0.355 1
1 372 . 2 1 1 A 36 36 CYS HA H 36 4.310 4.253 0.057 1
1 373 . 2 1 1 A 36 36 CYS CB C 36 28.189 27.166 1.023 1
1 376 . 2 1 1 A 36 36 CYS C C 36 177.257 177.202 0.055 1
1 377 . 2 1 1 A 37 37 ALA N N 37 122.247 121.437 0.810 1
1 378 . 2 1 1 A 37 37 ALA H H 37 7.343 8.074 -0.731 1
1 379 . 2 1 1 A 37 37 ALA CA C 37 54.145 55.161 -1.016 1
1 380 . 2 1 1 A 37 37 ALA HA H 37 3.546 3.681 -0.135 1
1 381 . 2 1 1 A 37 37 ALA CB C 37 20.009 18.383 1.626 1
1 385 . 2 1 1 A 37 37 ALA C C 37 178.883 179.954 -1.071 1
1 386 . 2 1 1 A 38 38 TRP N N 38 117.352 118.915 -1.563 1
1 387 . 2 1 1 A 38 38 TRP H H 38 7.937 8.615 -0.678 1
1 388 . 2 1 1 A 38 38 TRP CA C 38 60.600 59.876 0.724 1
1 389 . 2 1 1 A 38 38 TRP HA H 38 4.276 4.449 -0.173 1
1 390 . 2 1 1 A 38 38 TRP CB C 38 29.693 28.980 0.713 1
1 405 . 2 1 1 A 38 38 TRP C C 38 178.664 179.224 -0.560 1
1 406 . 2 1 1 A 39 39 LYS N N 39 117.638 119.072 -1.434 1
1 407 . 2 1 1 A 39 39 LYS H H 39 8.102 8.481 -0.379 1
1 408 . 2 1 1 A 39 39 LYS CA C 39 60.009 59.240 0.769 1
1 409 . 2 1 1 A 39 39 LYS HA H 39 4.031 4.052 -0.021 1
1 410 . 2 1 1 A 39 39 LYS CB C 39 32.471 31.967 0.504 1
1 421 . 2 1 1 A 39 39 LYS C C 39 178.713 179.123 -0.410 1
1 422 . 2 1 1 A 40 40 GLU N N 40 120.486 120.074 0.412 1
1 423 . 2 1 1 A 40 40 GLU H H 40 6.821 7.927 -1.106 1
1 424 . 2 1 1 A 40 40 GLU CA C 40 58.486 58.835 -0.349 1
1 425 . 2 1 1 A 40 40 GLU HA H 40 4.350 4.120 0.230 1
1 426 . 2 1 1 A 40 40 GLU CB C 40 28.459 29.235 -0.776 1
1 432 . 2 1 1 A 40 40 GLU C C 40 178.543 179.330 -0.787 1
1 433 . 2 1 1 A 41 41 LEU N N 41 119.356 120.239 -0.883 1
1 434 . 2 1 1 A 41 41 LEU H H 41 8.291 8.790 -0.499 1
1 435 . 2 1 1 A 41 41 LEU CA C 41 59.002 58.033 0.969 1
1 436 . 2 1 1 A 41 41 LEU HA H 41 3.947 4.216 -0.269 1
1 437 . 2 1 1 A 41 41 LEU CB C 41 41.914 41.529 0.385 1
1 450 . 2 1 1 A 41 41 LEU C C 41 178.106 179.311 -1.205 1
1 451 . 2 1 1 A 42 42 ASN N N 42 113.310 116.359 -3.049 1
1 452 . 2 1 1 A 42 42 ASN H H 42 8.350 8.616 -0.266 1
1 453 . 2 1 1 A 42 42 ASN CA C 42 55.623 56.275 -0.652 1
1 454 . 2 1 1 A 42 42 ASN HA H 42 4.420 4.592 -0.172 1
1 455 . 2 1 1 A 42 42 ASN CB C 42 39.318 38.343 0.975 1
1 461 . 2 1 1 A 42 42 ASN C C 42 176.820 177.086 -0.266 1
1 462 . 2 1 1 A 43 43 ARG N N 43 117.734 118.422 -0.688 1
1 463 . 2 1 1 A 43 43 ARG H H 43 7.578 8.211 -0.633 1
1 464 . 2 1 1 A 43 43 ARG CA C 43 58.301 57.606 0.695 1
1 465 . 2 1 1 A 43 43 ARG HA H 43 4.227 4.184 0.043 1
1 466 . 2 1 1 A 43 43 ARG CB C 43 31.361 30.037 1.324 1
1 475 . 2 1 1 A 43 43 ARG C C 43 178.106 177.275 0.831 1
1 476 . 2 1 1 A 44 44 LYS N N 44 115.502 116.698 -1.196 1
1 477 . 2 1 1 A 44 44 LYS H H 44 7.365 7.616 -0.251 1
1 478 . 2 1 1 A 44 44 LYS CA C 44 55.367 55.721 -0.354 1
1 479 . 2 1 1 A 44 44 LYS HA H 44 4.280 4.482 -0.202 1
1 480 . 2 1 1 A 44 44 LYS CB C 44 34.289 34.383 -0.094 1
1 491 . 2 1 1 A 44 44 LYS C C 44 176.504 175.775 0.729 1
1 492 . 2 1 1 A 45 45 LEU N N 45 118.486 120.213 -1.727 1
1 493 . 2 1 1 A 45 45 LEU H H 45 7.977 7.560 0.417 1
1 494 . 2 1 1 A 45 45 LEU CA C 45 53.335 53.206 0.129 1
1 495 . 2 1 1 A 45 45 LEU HA H 45 4.882 4.862 0.020 1
1 496 . 2 1 1 A 45 45 LEU CB C 45 45.307 45.288 0.019 1
1 509 . 2 1 1 A 45 45 LEU C C 45 176.771 175.375 1.396 1
1 510 . 2 1 1 A 46 46 SER N N 46 116.809 117.410 -0.601 1
1 511 . 2 1 1 A 46 46 SER H H 46 9.074 8.633 0.441 1
1 512 . 2 1 1 A 46 46 SER CA C 46 57.981 57.257 0.724 1
1 513 . 2 1 1 A 46 46 SER HA H 46 4.407 4.827 -0.420 1
1 514 . 2 1 1 A 46 46 SER CB C 46 64.496 64.605 -0.109 1
1 517 . 2 1 1 A 46 46 SER C C 46 175.387 175.868 -0.481 1
1 518 . 2 1 1 A 47 47 SER N N 47 117.511 119.872 -2.361 1
1 519 . 2 1 1 A 47 47 SER H H 47 8.955 8.982 -0.027 1
1 520 . 2 1 1 A 47 47 SER CA C 47 61.523 61.728 -0.205 1
1 521 . 2 1 1 A 47 47 SER HA H 47 4.197 4.096 0.101 1
1 522 . 2 1 1 A 47 47 SER CB C 47 62.412 62.116 0.296 1
1 525 . 2 1 1 A 48 48 ASN H H 48 8.475 8.100 0.375 1
1 526 . 2 1 1 A 48 48 ASN CA C 48 56.327 56.122 0.205 1
1 527 . 2 1 1 A 48 48 ASN HA H 48 4.421 4.522 -0.101 1
1 528 . 2 1 1 A 48 48 ASN CB C 48 38.635 38.206 0.429 1
1 534 . 2 1 1 A 48 48 ASN C C 48 177.232 177.260 -0.028 1
1 535 . 2 1 1 A 49 49 ALA N N 49 123.504 122.293 1.211 1
1 536 . 2 1 1 A 49 49 ALA H H 49 7.837 7.619 0.218 1
1 537 . 2 1 1 A 49 49 ALA CA C 49 55.271 54.502 0.769 1
1 538 . 2 1 1 A 49 49 ALA HA H 49 4.171 4.370 -0.199 1
1 539 . 2 1 1 A 49 49 ALA CB C 49 19.301 18.915 0.386 1
1 543 . 2 1 1 A 49 49 ALA C C 49 179.830 179.679 0.151 1
1 544 . 2 1 1 A 50 50 VAL N N 50 115.694 118.047 -2.353 1
1 545 . 2 1 1 A 50 50 VAL H H 50 8.069 8.458 -0.389 1
1 546 . 2 1 1 A 50 50 VAL CA C 50 65.728 65.096 0.632 1
1 547 . 2 1 1 A 50 50 VAL HA H 50 3.645 3.807 -0.162 1
1 548 . 2 1 1 A 50 50 VAL CB C 50 31.836 31.172 0.664 1
1 558 . 2 1 1 A 50 50 VAL C C 50 178.567 177.646 0.921 1
1 559 . 2 1 1 A 51 51 SER N N 51 114.048 115.928 -1.880 1
1 560 . 2 1 1 A 51 51 SER H H 51 7.849 7.818 0.031 1
1 561 . 2 1 1 A 51 51 SER CA C 51 60.756 60.331 0.425 1
1 562 . 2 1 1 A 51 51 SER HA H 51 4.334 4.318 0.016 1
1 563 . 2 1 1 A 51 51 SER CB C 51 63.383 62.938 0.445 1
1 565 . 2 1 1 A 51 51 SER C C 51 174.635 175.903 -1.268 1
1 566 . 2 1 1 A 52 52 GLN N N 52 118.482 118.807 -0.325 1
1 567 . 2 1 1 A 52 52 GLN H H 52 7.564 7.893 -0.329 1
1 568 . 2 1 1 A 52 52 GLN CA C 52 55.306 57.327 -2.021 1
1 569 . 2 1 1 A 52 52 GLN HA H 52 4.389 4.484 -0.095 1
1 570 . 2 1 1 A 52 52 GLN CB C 52 29.217 29.002 0.215 1
1 579 . 2 1 1 A 52 52 GLN C C 52 175.315 176.375 -1.060 1
1 580 . 2 1 1 A 53 53 ILE N N 53 119.847 121.725 -1.878 1
1 581 . 2 1 1 A 53 53 ILE H H 53 7.281 7.390 -0.109 1
1 582 . 2 1 1 A 53 53 ILE CA C 53 62.903 62.006 0.897 1
1 583 . 2 1 1 A 53 53 ILE HA H 53 4.417 4.018 0.399 1
1 584 . 2 1 1 A 53 53 ILE CB C 53 38.124 37.248 0.876 1
1 597 . 2 1 1 A 53 53 ILE C C 53 176.383 175.316 1.067 1
1 598 . 2 1 1 A 54 54 THR N N 54 120.582 120.709 -0.127 1
1 599 . 2 1 1 A 54 54 THR H H 54 9.046 8.901 0.145 1
1 600 . 2 1 1 A 54 54 THR CA C 54 59.846 59.577 0.269 1
1 601 . 2 1 1 A 54 54 THR HA H 54 4.834 5.000 -0.166 1
1 602 . 2 1 1 A 54 54 THR CB C 54 71.904 72.020 -0.116 1
1 608 . 2 1 1 A 54 54 THR C C 54 172.135 173.163 -1.028 1
1 609 . 2 1 1 A 55 55 ARG N N 55 118.375 123.405 -5.030 1
1 610 . 2 1 1 A 55 55 ARG H H 55 8.511 8.782 -0.271 1
1 611 . 2 1 1 A 55 55 ARG CA C 55 57.312 56.886 0.426 1
1 612 . 2 1 1 A 55 55 ARG HA H 55 3.782 3.794 -0.012 1
1 613 . 2 1 1 A 55 55 ARG CB C 55 28.704 28.406 0.298 1
1 622 . 2 1 1 A 55 55 ARG C C 55 174.684 174.731 -0.047 1
1 623 . 2 1 1 A 56 56 MET N N 56 118.525 117.173 1.352 1
1 624 . 2 1 1 A 56 56 MET H H 56 8.279 8.053 0.226 1
1 625 . 2 1 1 A 56 56 MET CA C 56 55.799 54.915 0.884 1
1 626 . 2 1 1 A 56 56 MET HA H 56 5.188 5.132 0.056 1
1 627 . 2 1 1 A 56 56 MET CB C 56 33.062 34.267 -1.205 1
1 637 . 2 1 1 A 56 56 MET C C 56 177.572 175.493 2.079 1
1 638 . 2 1 1 A 57 57 CYS N N 57 126.541 123.338 3.203 1
1 639 . 2 1 1 A 57 57 CYS H H 57 9.340 9.107 0.233 1
1 640 . 2 1 1 A 57 57 CYS CA C 57 57.171 57.829 -0.658 1
1 641 . 2 1 1 A 57 57 CYS HA H 57 4.794 5.150 -0.356 1
1 642 . 2 1 1 A 57 57 CYS CB C 57 31.161 32.220 -1.059 1
1 645 . 2 1 1 A 57 57 CYS C C 57 173.057 173.517 -0.460 1
1 646 . 2 1 1 A 58 58 LEU N N 58 123.786 123.273 0.513 1
1 647 . 2 1 1 A 58 58 LEU H H 58 8.682 8.442 0.240 1
1 648 . 2 1 1 A 58 58 LEU CA C 58 55.975 54.053 1.922 1
1 649 . 2 1 1 A 58 58 LEU HA H 58 4.520 4.638 -0.118 1
1 650 . 2 1 1 A 58 58 LEU CB C 58 43.097 42.617 0.480 1
1 663 . 2 1 1 A 58 58 LEU C C 58 177.960 177.209 0.751 1
1 664 . 2 1 1 A 59 59 LEU N N 59 124.007 125.588 -1.581 1
1 665 . 2 1 1 A 59 59 LEU H H 59 8.269 8.900 -0.631 1
1 666 . 2 1 1 A 59 59 LEU CA C 59 54.156 54.724 -0.568 1
1 667 . 2 1 1 A 59 59 LEU HA H 59 4.261 4.320 -0.059 1
1 668 . 2 1 1 A 59 59 LEU CB C 59 42.986 42.233 0.753 1
1 681 . 2 1 1 A 59 59 LEU C C 59 177.645 177.302 0.343 1
1 682 . 2 1 1 A 60 60 LYS N N 60 122.593 122.595 -0.002 1
1 683 . 2 1 1 A 60 60 LYS H H 60 8.458 8.673 -0.215 1
1 684 . 2 1 1 A 60 60 LYS CA C 60 58.263 58.916 -0.653 1
1 685 . 2 1 1 A 60 60 LYS HA H 60 4.101 3.802 0.299 1
1 686 . 2 1 1 A 60 60 LYS CB C 60 31.732 32.206 -0.474 1
1 696 . 2 1 1 A 60 60 LYS C C 60 178.422 177.501 0.921 1
1 697 . 2 1 1 A 61 61 GLY H H 61 9.070 8.787 0.283 1
1 698 . 2 1 1 A 61 61 GLY CA C 61 45.355 45.365 -0.010 1
1 699 . 2 1 1 A 61 61 GLY HA2 H 61 3.641 3.910 -0.269 1
1 700 . 2 1 1 A 61 61 GLY HA3 H 61 4.223 3.916 0.307 1
1 701 . 2 1 1 A 61 61 GLY C C 61 173.907 174.760 -0.853 1
1 702 . 2 1 1 A 62 62 ASN N N 62 112.617 112.752 -0.135 1
1 703 . 2 1 1 A 62 62 ASN H H 62 8.639 8.399 0.240 1
1 704 . 2 1 1 A 62 62 ASN CA C 62 55.115 54.634 0.481 1
1 705 . 2 1 1 A 62 62 ASN HA H 62 4.208 4.420 -0.212 1
1 706 . 2 1 1 A 62 62 ASN CB C 62 36.133 36.920 -0.787 1
1 712 . 2 1 1 A 62 62 ASN C C 62 173.810 175.400 -1.590 1
1 713 . 2 1 1 A 63 63 MET N N 63 114.254 115.794 -1.540 1
1 714 . 2 1 1 A 63 63 MET H H 63 7.967 8.289 -0.322 1
1 715 . 2 1 1 A 63 63 MET CA C 63 53.229 55.875 -2.646 1
1 716 . 2 1 1 A 63 63 MET HA H 63 4.908 4.498 0.410 1
1 717 . 2 1 1 A 63 63 MET CB C 63 29.363 33.383 -4.020 1
1 727 . 2 1 1 A 63 63 MET C C 63 175.436 175.501 -0.065 1
1 728 . 2 1 1 A 64 64 GLY N N 64 102.826 106.621 -3.795 1
1 729 . 2 1 1 A 64 64 GLY H H 64 7.039 7.475 -0.436 1
1 730 . 2 1 1 A 64 64 GLY CA C 64 45.381 45.931 -0.550 1
1 731 . 2 1 1 A 64 64 GLY HA2 H 64 4.902 4.059 0.843 1
1 732 . 2 1 1 A 64 64 GLY HA3 H 64 4.026 4.097 -0.071 1
1 733 . 2 1 1 A 64 64 GLY C C 64 171.868 171.331 0.537 1
1 734 . 2 1 1 A 65 65 VAL N N 65 110.602 115.003 -4.401 1
1 735 . 2 1 1 A 65 65 VAL H H 65 8.994 8.334 0.660 1
1 736 . 2 1 1 A 65 65 VAL CA C 65 58.892 58.993 -0.101 1
1 737 . 2 1 1 A 65 65 VAL HA H 65 5.511 5.126 0.385 1
1 738 . 2 1 1 A 65 65 VAL CB C 65 36.392 35.386 1.006 1
1 748 . 2 1 1 A 65 65 VAL C C 65 174.319 174.475 -0.156 1
1 749 . 2 1 1 A 66 66 CYS N N 66 115.721 121.171 -5.450 1
1 750 . 2 1 1 A 66 66 CYS H H 66 9.175 9.150 0.025 1
1 751 . 2 1 1 A 66 66 CYS CA C 66 54.912 56.751 -1.839 1
1 752 . 2 1 1 A 66 66 CYS HA H 66 5.590 5.324 0.266 1
1 753 . 2 1 1 A 66 66 CYS CB C 66 31.672 30.585 1.087 1
1 756 . 2 1 1 A 66 66 CYS C C 66 171.941 173.550 -1.609 1
1 757 . 2 1 1 A 67 67 PHE N N 67 114.941 118.371 -3.430 1
1 758 . 2 1 1 A 67 67 PHE H H 67 8.220 8.282 -0.062 1
1 759 . 2 1 1 A 67 67 PHE CA C 67 56.468 55.921 0.547 1
1 760 . 2 1 1 A 67 67 PHE HA H 67 4.879 5.347 -0.468 1
1 761 . 2 1 1 A 67 67 PHE CB C 67 39.366 40.976 -1.610 1
1 774 . 2 1 1 A 67 67 PHE C C 67 171.552 171.868 -0.316 1
1 775 . 2 1 1 A 68 68 ASP N N 68 119.507 119.780 -0.273 1
1 776 . 2 1 1 A 68 68 ASP H H 68 9.072 9.148 -0.076 1
1 777 . 2 1 1 A 68 68 ASP CA C 68 52.737 52.979 -0.242 1
1 778 . 2 1 1 A 68 68 ASP HA H 68 5.901 5.796 0.105 1
1 779 . 2 1 1 A 68 68 ASP CB C 68 42.545 44.037 -1.492 1
1 782 . 2 1 1 A 68 68 ASP C C 68 176.116 175.927 0.189 1
1 783 . 2 1 1 A 69 69 VAL N N 69 114.937 117.558 -2.621 1
1 784 . 2 1 1 A 69 69 VAL H H 69 8.819 9.012 -0.193 1
1 785 . 2 1 1 A 69 69 VAL CA C 69 58.051 58.093 -0.042 1
1 786 . 2 1 1 A 69 69 VAL HA H 69 5.205 5.062 0.143 1
1 787 . 2 1 1 A 69 69 VAL CB C 69 35.698 34.898 0.800 1
1 797 . 2 1 1 A 69 69 VAL C C 69 173.154 173.773 -0.619 1
1 798 . 2 1 1 A 70 70 PRO CA C 70 62.946 61.276 1.670 1
1 799 . 2 1 1 A 70 70 PRO HA H 70 4.479 3.548 0.931 1
1 800 . 2 1 1 A 70 70 PRO CB C 70 32.255 32.165 0.090 1
1 809 . 2 1 1 A 70 70 PRO C C 70 178.737 176.940 1.797 1
1 810 . 2 1 1 A 71 71 THR N N 71 119.743 116.604 3.139 1
1 811 . 2 1 1 A 71 71 THR H H 71 8.401 8.224 0.177 1
1 812 . 2 1 1 A 71 71 THR CA C 71 66.415 63.886 2.529 1
1 813 . 2 1 1 A 71 71 THR HA H 71 3.761 4.103 -0.342 1
1 814 . 2 1 1 A 71 71 THR CB C 71 68.476 68.401 0.075 1
1 820 . 2 1 1 A 71 71 THR C C 71 176.965 176.019 0.946 1
1 821 . 2 1 1 A 72 72 THR N N 72 109.724 114.120 -4.396 1
1 822 . 2 1 1 A 72 72 THR H H 72 7.747 7.904 -0.157 1
1 823 . 2 1 1 A 72 72 THR CA C 72 64.100 64.944 -0.844 1
1 824 . 2 1 1 A 72 72 THR HA H 72 4.120 3.998 0.122 1
1 825 . 2 1 1 A 72 72 THR CB C 72 68.471 68.353 0.118 1
1 831 . 2 1 1 A 72 72 THR C C 72 175.849 176.405 -0.556 1
1 832 . 2 1 1 A 73 73 GLU N N 73 118.626 122.381 -3.755 1
1 833 . 2 1 1 A 73 73 GLU H H 73 7.767 8.161 -0.394 1
1 834 . 2 1 1 A 73 73 GLU CA C 73 55.623 59.419 -3.796 1
1 835 . 2 1 1 A 73 73 GLU HA H 73 4.587 4.075 0.512 1
1 836 . 2 1 1 A 73 73 GLU CB C 73 30.542 29.099 1.443 1
1 842 . 2 1 1 A 73 73 GLU C C 73 177.257 179.042 -1.785 1
1 843 . 2 1 1 A 74 74 SER N N 74 114.932 115.382 -0.450 1
1 844 . 2 1 1 A 74 74 SER H H 74 7.442 8.059 -0.617 1
1 845 . 2 1 1 A 74 74 SER CA C 74 62.099 61.411 0.688 1
1 846 . 2 1 1 A 74 74 SER HA H 74 3.938 4.210 -0.272 1
1 847 . 2 1 1 A 74 74 SER CB C 74 63.067 62.361 0.706 1
1 850 . 2 1 1 A 74 74 SER C C 74 176.528 176.927 -0.399 1
1 851 . 2 1 1 A 75 75 GLU N N 75 120.907 122.227 -1.320 1
1 852 . 2 1 1 A 75 75 GLU H H 75 8.350 7.844 0.506 1
1 853 . 2 1 1 A 75 75 GLU CA C 75 59.706 58.961 0.745 1
1 854 . 2 1 1 A 75 75 GLU HA H 75 4.045 4.163 -0.118 1
1 855 . 2 1 1 A 75 75 GLU CB C 75 29.085 29.144 -0.059 1
1 861 . 2 1 1 A 75 75 GLU C C 75 179.320 179.345 -0.025 1
1 862 . 2 1 1 A 76 76 ARG N N 76 121.343 120.164 1.179 1
1 863 . 2 1 1 A 76 76 ARG H H 76 7.948 7.863 0.085 1
1 864 . 2 1 1 A 76 76 ARG CA C 76 59.188 58.957 0.231 1
1 865 . 2 1 1 A 76 76 ARG HA H 76 4.094 4.101 -0.007 1
1 866 . 2 1 1 A 76 76 ARG CB C 76 29.726 30.604 -0.878 1
1 875 . 2 1 1 A 76 76 ARG C C 76 178.373 178.531 -0.158 1
1 876 . 2 1 1 A 77 77 LEU N N 77 120.110 119.826 0.284 1
1 877 . 2 1 1 A 77 77 LEU H H 77 8.029 8.523 -0.494 1
1 878 . 2 1 1 A 77 77 LEU CA C 77 59.809 57.975 1.834 1
1 879 . 2 1 1 A 77 77 LEU HA H 77 3.975 4.004 -0.029 1
1 880 . 2 1 1 A 77 77 LEU CB C 77 42.216 41.537 0.679 1
1 893 . 2 1 1 A 77 77 LEU C C 77 178.810 179.356 -0.546 1
1 894 . 2 1 1 A 78 78 GLN N N 78 114.090 117.721 -3.631 1
1 895 . 2 1 1 A 78 78 GLN H H 78 7.680 8.034 -0.354 1
1 896 . 2 1 1 A 78 78 GLN CA C 78 59.600 58.860 0.740 1
1 897 . 2 1 1 A 78 78 GLN HA H 78 3.915 4.084 -0.169 1
1 898 . 2 1 1 A 78 78 GLN CB C 78 30.101 28.352 1.749 1
1 907 . 2 1 1 A 78 78 GLN C C 78 178.325 177.485 0.840 1
1 908 . 2 1 1 A 79 79 ALA N N 79 119.863 122.498 -2.635 1
1 909 . 2 1 1 A 79 79 ALA H H 79 7.900 7.746 0.154 1
1 910 . 2 1 1 A 79 79 ALA CA C 79 54.321 53.970 0.351 1
1 911 . 2 1 1 A 79 79 ALA HA H 79 4.255 4.414 -0.159 1
1 912 . 2 1 1 A 79 79 ALA CB C 79 18.596 19.396 -0.800 1
1 916 . 2 1 1 A 79 79 ALA C C 79 179.514 179.532 -0.018 1
1 917 . 2 1 1 A 80 80 GLU N N 80 115.847 117.666 -1.819 1
1 918 . 2 1 1 A 80 80 GLU H H 80 7.773 8.365 -0.592 1
1 919 . 2 1 1 A 80 80 GLU CA C 80 57.312 58.523 -1.211 1
1 920 . 2 1 1 A 80 80 GLU HA H 80 4.286 4.238 0.048 1
1 921 . 2 1 1 A 80 80 GLU CB C 80 31.095 29.773 1.322 1
1 927 . 2 1 1 A 80 80 GLU C C 80 176.965 177.039 -0.074 1
1 928 . 2 1 1 A 81 81 TRP N N 81 122.132 123.022 -0.890 1
1 929 . 2 1 1 A 81 81 TRP H H 81 7.661 7.589 0.072 1
1 930 . 2 1 1 A 81 81 TRP CA C 81 58.641 56.011 2.630 1
1 931 . 2 1 1 A 81 81 TRP HA H 81 4.261 4.854 -0.593 1
1 932 . 2 1 1 A 81 81 TRP CB C 81 29.118 29.332 -0.214 1
1 947 . 2 1 1 A 81 81 TRP C C 81 174.611 175.720 -1.109 1
1 948 . 2 1 1 A 82 82 HIS CA C 82 54.101 54.729 -0.628 1
1 949 . 2 1 1 A 82 82 HIS HA H 82 4.727 4.746 -0.019 1
1 950 . 2 1 1 A 82 82 HIS CB C 82 30.847 33.800 -2.953 1
1 957 . 2 1 1 A 83 83 ASP CA C 83 54.997 54.887 0.110 1
1 958 . 2 1 1 A 83 83 ASP HA H 83 4.342 3.958 0.384 1
1 959 . 2 1 1 A 83 83 ASP CB C 83 40.395 39.590 0.805 1
1 962 . 2 1 1 A 83 83 ASP C C 83 174.198 174.720 -0.522 1
1 963 . 2 1 1 A 84 84 SER N N 84 111.986 113.485 -1.499 1
1 964 . 2 1 1 A 84 84 SER H H 84 7.863 7.658 0.205 1
1 965 . 2 1 1 A 84 84 SER CA C 84 56.714 56.824 -0.110 1
1 966 . 2 1 1 A 84 84 SER HA H 84 4.584 4.896 -0.312 1
1 967 . 2 1 1 A 84 84 SER CB C 84 64.374 66.244 -1.870 1
1 970 . 2 1 1 A 84 84 SER C C 84 174.489 172.537 1.952 1
1 971 . 2 1 1 A 85 85 ASP N N 85 125.547 121.802 3.745 1
1 972 . 2 1 1 A 85 85 ASP H H 85 9.268 8.782 0.486 1
1 973 . 2 1 1 A 85 85 ASP CA C 85 55.447 55.145 0.302 1
1 974 . 2 1 1 A 85 85 ASP HA H 85 4.704 4.846 -0.142 1
1 975 . 2 1 1 A 85 85 ASP CB C 85 40.980 41.791 -0.811 1
1 978 . 2 1 1 A 85 85 ASP C C 85 177.038 176.466 0.572 1
1 979 . 2 1 1 A 86 86 TRP N N 86 121.831 119.822 2.009 1
1 980 . 2 1 1 A 86 86 TRP H H 86 9.345 8.067 1.278 1
1 981 . 2 1 1 A 86 86 TRP CA C 86 56.967 57.062 -0.095 1
1 982 . 2 1 1 A 86 86 TRP HA H 86 5.091 5.016 0.075 1
1 983 . 2 1 1 A 86 86 TRP CB C 86 29.118 31.029 -1.911 1
1 998 . 2 1 1 A 86 86 TRP C C 86 176.723 176.382 0.341 1
1 999 . 2 1 1 A 87 87 ILE N N 87 123.116 124.773 -1.657 1
1 1000 . 2 1 1 A 87 87 ILE H H 87 8.965 8.336 0.629 1
1 1001 . 2 1 1 A 87 87 ILE CA C 87 60.595 61.474 -0.879 1
1 1002 . 2 1 1 A 87 87 ILE HA H 87 4.462 4.489 -0.027 1
1 1003 . 2 1 1 A 87 87 ILE CB C 87 40.354 37.790 2.564 1
1 1016 . 2 1 1 A 87 87 ILE C C 87 175.824 175.254 0.570 1
1 1017 . 2 1 1 A 88 88 LEU N N 88 134.475 130.716 3.759 1
1 1018 . 2 1 1 A 88 88 LEU H H 88 8.736 9.045 -0.309 1
1 1019 . 2 1 1 A 88 88 LEU CA C 88 53.763 53.501 0.262 1
1 1020 . 2 1 1 A 88 88 LEU HA H 88 5.163 4.873 0.290 1
1 1021 . 2 1 1 A 88 88 LEU CB C 88 43.020 44.255 -1.235 1
1 1034 . 2 1 1 A 88 88 LEU C C 88 175.824 175.054 0.770 1
1 1035 . 2 1 1 A 89 89 SER N N 89 122.016 123.977 -1.961 1
1 1036 . 2 1 1 A 89 89 SER H H 89 9.152 8.863 0.289 1
1 1037 . 2 1 1 A 89 89 SER CA C 89 57.242 57.298 -0.056 1
1 1038 . 2 1 1 A 89 89 SER HA H 89 4.739 5.254 -0.515 1
1 1039 . 2 1 1 A 89 89 SER CB C 89 65.526 66.114 -0.588 1
1 1042 . 2 1 1 A 89 89 SER C C 89 171.989 172.828 -0.839 1
1 1043 . 2 1 1 A 90 90 VAL N N 90 119.844 121.531 -1.687 1
1 1044 . 2 1 1 A 90 90 VAL H H 90 8.220 8.695 -0.475 1
1 1045 . 2 1 1 A 90 90 VAL CA C 90 59.143 59.182 -0.039 1
1 1046 . 2 1 1 A 90 90 VAL HA H 90 4.604 4.515 0.089 1
1 1047 . 2 1 1 A 90 90 VAL CB C 90 33.056 32.991 0.065 1
1 1057 . 2 1 1 A 90 90 VAL C C 90 174.198 174.755 -0.557 1
1 1058 . 2 1 1 A 91 91 PRO CA C 91 63.467 62.526 0.941 1
1 1059 . 2 1 1 A 91 91 PRO HA H 91 4.329 4.683 -0.354 1
1 1060 . 2 1 1 A 91 91 PRO CB C 91 32.003 32.461 -0.458 1
1 1069 . 2 1 1 A 91 91 PRO C C 91 175.557 176.958 -1.401 1
1 1 . 3 1 1 A 6 6 SER CA C 6 58.720 57.245 1.475 1
1 2 . 3 1 1 A 6 6 SER HA H 6 4.456 4.761 -0.305 1
1 3 . 3 1 1 A 6 6 SER CB C 6 63.880 64.695 -0.815 1
1 6 . 3 1 1 A 6 6 SER C C 6 174.951 174.910 0.041 1
1 7 . 3 1 1 A 7 7 GLY N N 7 110.558 107.484 3.074 1
1 8 . 3 1 1 A 7 7 GLY H H 7 8.377 8.221 0.156 1
1 9 . 3 1 1 A 7 7 GLY CA C 7 45.205 44.434 0.771 1
1 10 . 3 1 1 A 7 7 GLY HA2 H 7 3.879 4.060 -0.181 1
1 11 . 3 1 1 A 7 7 GLY HA3 H 7 3.910 4.142 -0.232 1
1 12 . 3 1 1 A 7 7 GLY C C 7 173.615 172.578 1.037 1
1 13 . 3 1 1 A 8 8 PHE N N 8 119.857 119.647 0.210 1
1 14 . 3 1 1 A 8 8 PHE H H 8 8.062 8.788 -0.726 1
1 15 . 3 1 1 A 8 8 PHE CA C 8 57.418 56.493 0.925 1
1 16 . 3 1 1 A 8 8 PHE HA H 8 4.624 4.915 -0.291 1
1 17 . 3 1 1 A 8 8 PHE CB C 8 39.749 41.587 -1.838 1
1 30 . 3 1 1 A 8 8 PHE C C 8 175.242 175.392 -0.150 1
1 31 . 3 1 1 A 9 9 GLU N N 9 124.807 124.849 -0.042 1
1 32 . 3 1 1 A 9 9 GLU H H 9 8.311 9.006 -0.695 1
1 33 . 3 1 1 A 9 9 GLU CA C 9 54.034 57.074 -3.040 1
1 34 . 3 1 1 A 9 9 GLU HA H 9 4.546 3.896 0.650 1
1 35 . 3 1 1 A 9 9 GLU CB C 9 29.859 28.266 1.593 1
1 40 . 3 1 1 A 9 9 GLU C C 9 174.125 177.044 -2.919 1
1 41 . 3 1 1 A 10 10 PRO CA C 10 63.366 64.215 -0.849 1
1 42 . 3 1 1 A 10 10 PRO HA H 10 4.334 4.469 -0.135 1
1 43 . 3 1 1 A 10 10 PRO CB C 10 32.033 31.926 0.107 1
1 52 . 3 1 1 A 10 10 PRO C C 10 177.062 176.597 0.465 1
1 53 . 3 1 1 A 11 11 ARG N N 11 120.726 116.382 4.344 1
1 54 . 3 1 1 A 11 11 ARG H H 11 8.477 7.965 0.512 1
1 55 . 3 1 1 A 11 11 ARG CA C 11 56.175 56.603 -0.428 1
1 56 . 3 1 1 A 11 11 ARG HA H 11 4.318 3.870 0.448 1
1 57 . 3 1 1 A 11 11 ARG CB C 11 30.831 28.430 2.401 1
1 66 . 3 1 1 A 11 11 ARG C C 11 176.455 174.847 1.608 1
1 67 . 3 1 1 A 12 12 SER N N 12 116.599 112.285 4.314 1
1 68 . 3 1 1 A 12 12 SER H H 12 8.289 7.811 0.478 1
1 69 . 3 1 1 A 12 12 SER CA C 12 58.330 58.204 0.126 1
1 70 . 3 1 1 A 12 12 SER HA H 12 4.396 4.554 -0.158 1
1 71 . 3 1 1 A 12 12 SER CB C 12 63.633 64.808 -1.175 1
1 74 . 3 1 1 A 12 12 SER C C 12 174.465 173.686 0.779 1
1 75 . 3 1 1 A 13 13 LEU N N 13 124.186 122.273 1.913 1
1 76 . 3 1 1 A 13 13 LEU H H 13 8.275 8.600 -0.325 1
1 77 . 3 1 1 A 13 13 LEU CA C 13 55.306 54.553 0.753 1
1 78 . 3 1 1 A 13 13 LEU HA H 13 4.361 4.863 -0.502 1
1 79 . 3 1 1 A 13 13 LEU CB C 13 42.350 45.928 -3.578 1
1 92 . 3 1 1 A 13 13 LEU C C 13 177.184 174.569 2.615 1
1 93 . 3 1 1 A 14 14 ILE N N 14 121.445 127.505 -6.060 1
1 94 . 3 1 1 A 14 14 ILE H H 14 8.106 8.957 -0.851 1
1 95 . 3 1 1 A 14 14 ILE CA C 14 61.248 61.145 0.103 1
1 96 . 3 1 1 A 14 14 ILE HA H 14 4.202 4.254 -0.052 1
1 97 . 3 1 1 A 14 14 ILE CB C 14 38.555 37.038 1.517 1
1 110 . 3 1 1 A 14 14 ILE C C 14 176.528 176.324 0.204 1
1 111 . 3 1 1 A 15 15 THR N N 15 118.053 119.017 -0.964 1
1 112 . 3 1 1 A 15 15 THR H H 15 8.226 8.559 -0.333 1
1 113 . 3 1 1 A 15 15 THR CA C 15 61.573 62.282 -0.709 1
1 114 . 3 1 1 A 15 15 THR HA H 15 4.401 4.354 0.047 1
1 115 . 3 1 1 A 15 15 THR CB C 15 69.795 69.326 0.469 1
1 121 . 3 1 1 A 15 15 THR C C 15 174.538 174.818 -0.280 1
1 122 . 3 1 1 A 16 16 SER N N 16 117.877 120.010 -2.133 1
1 123 . 3 1 1 A 16 16 SER H H 16 8.272 7.740 0.532 1
1 124 . 3 1 1 A 16 16 SER CA C 16 55.830 59.316 -3.486 1
1 125 . 3 1 1 A 16 16 SER HA H 16 4.448 4.422 0.026 1
1 126 . 3 1 1 A 16 16 SER CB C 16 63.880 63.461 0.419 1
1 129 . 3 1 1 A 16 16 SER C C 16 174.247 173.496 0.751 1
1 130 . 3 1 1 A 17 17 ASP N N 17 122.892 126.889 -3.997 1
1 131 . 3 1 1 A 17 17 ASP H H 17 8.425 8.781 -0.356 1
1 132 . 3 1 1 A 17 17 ASP CA C 17 54.461 54.618 -0.157 1
1 133 . 3 1 1 A 17 17 ASP HA H 17 4.611 4.634 -0.023 1
1 134 . 3 1 1 A 17 17 ASP CB C 17 41.340 41.898 -0.558 1
1 137 . 3 1 1 A 17 17 ASP C C 17 176.358 175.737 0.621 1
1 138 . 3 1 1 A 18 18 LYS N N 18 121.459 124.098 -2.639 1
1 139 . 3 1 1 A 18 18 LYS H H 18 8.349 9.064 -0.715 1
1 140 . 3 1 1 A 18 18 LYS CA C 18 56.526 56.057 0.469 1
1 141 . 3 1 1 A 18 18 LYS HA H 18 4.356 4.773 -0.417 1
1 142 . 3 1 1 A 18 18 LYS CB C 18 32.744 34.357 -1.613 1
1 152 . 3 1 1 A 18 18 LYS C C 18 177.305 176.471 0.834 1
1 153 . 3 1 1 A 19 19 GLY N N 19 109.072 105.585 3.487 1
1 154 . 3 1 1 A 19 19 GLY H H 19 8.533 7.384 1.149 1
1 155 . 3 1 1 A 19 19 GLY CA C 19 45.451 44.516 0.935 1
1 156 . 3 1 1 A 19 19 GLY HA2 H 19 3.884 4.236 -0.352 1
1 157 . 3 1 1 A 19 19 GLY HA3 H 19 3.960 4.237 -0.277 1
1 158 . 3 1 1 A 19 19 GLY C C 19 174.028 172.578 1.450 1
1 159 . 3 1 1 A 20 20 PHE N N 20 119.395 121.482 -2.087 1
1 160 . 3 1 1 A 20 20 PHE H H 20 8.014 8.634 -0.620 1
1 161 . 3 1 1 A 20 20 PHE CA C 20 56.992 57.860 -0.868 1
1 162 . 3 1 1 A 20 20 PHE HA H 20 5.166 4.977 0.189 1
1 163 . 3 1 1 A 20 20 PHE CB C 20 43.122 41.194 1.928 1
1 176 . 3 1 1 A 20 20 PHE C C 20 174.247 174.938 -0.691 1
1 177 . 3 1 1 A 21 21 VAL N N 21 119.613 118.854 0.759 1
1 178 . 3 1 1 A 21 21 VAL H H 21 9.282 8.909 0.373 1
1 179 . 3 1 1 A 21 21 VAL CA C 21 60.286 60.195 0.091 1
1 180 . 3 1 1 A 21 21 VAL HA H 21 4.403 4.953 -0.550 1
1 181 . 3 1 1 A 21 21 VAL CB C 21 35.624 35.221 0.403 1
1 191 . 3 1 1 A 21 21 VAL C C 21 174.077 174.531 -0.454 1
1 192 . 3 1 1 A 22 22 THR N N 22 123.150 123.948 -0.798 1
1 193 . 3 1 1 A 22 22 THR H H 22 8.226 8.753 -0.527 1
1 194 . 3 1 1 A 22 22 THR CA C 22 61.672 62.482 -0.810 1
1 195 . 3 1 1 A 22 22 THR HA H 22 5.214 4.664 0.550 1
1 196 . 3 1 1 A 22 22 THR CB C 22 69.636 69.803 -0.167 1
1 202 . 3 1 1 A 22 22 THR C C 22 174.319 173.987 0.332 1
1 203 . 3 1 1 A 23 23 MET N N 23 125.701 122.847 2.854 1
1 204 . 3 1 1 A 23 23 MET H H 23 9.254 9.189 0.065 1
1 205 . 3 1 1 A 23 23 MET CA C 23 54.250 54.085 0.165 1
1 206 . 3 1 1 A 23 23 MET HA H 23 4.680 5.119 -0.439 1
1 207 . 3 1 1 A 23 23 MET CB C 23 34.967 36.775 -1.808 1
1 217 . 3 1 1 A 23 23 MET C C 23 174.028 174.455 -0.427 1
1 218 . 3 1 1 A 24 24 THR N N 24 109.251 114.908 -5.657 1
1 219 . 3 1 1 A 24 24 THR H H 24 8.410 8.619 -0.209 1
1 220 . 3 1 1 A 24 24 THR CA C 24 59.952 61.181 -1.229 1
1 221 . 3 1 1 A 24 24 THR HA H 24 4.838 4.868 -0.030 1
1 222 . 3 1 1 A 24 24 THR CB C 24 71.427 71.753 -0.326 1
1 228 . 3 1 1 A 24 24 THR C C 24 172.353 172.957 -0.604 1
1 229 . 3 1 1 A 25 25 LEU N N 25 125.384 126.561 -1.177 1
1 230 . 3 1 1 A 25 25 LEU H H 25 8.901 8.798 0.103 1
1 231 . 3 1 1 A 25 25 LEU CA C 25 53.373 54.099 -0.726 1
1 232 . 3 1 1 A 25 25 LEU HA H 25 5.333 5.147 0.186 1
1 233 . 3 1 1 A 25 25 LEU CB C 25 45.607 44.821 0.786 1
1 246 . 3 1 1 A 25 25 LEU C C 25 175.606 174.867 0.739 1
1 247 . 3 1 1 A 26 26 GLU N N 26 125.482 126.964 -1.482 1
1 248 . 3 1 1 A 26 26 GLU H H 26 9.147 8.904 0.243 1
1 249 . 3 1 1 A 26 26 GLU CA C 26 56.010 55.267 0.743 1
1 250 . 3 1 1 A 26 26 GLU HA H 26 4.922 4.866 0.056 1
1 251 . 3 1 1 A 26 26 GLU CB C 26 33.588 31.696 1.892 1
1 257 . 3 1 1 A 26 26 GLU C C 26 175.387 176.531 -1.144 1
1 258 . 3 1 1 A 27 27 SER N N 27 118.827 118.137 0.690 1
1 259 . 3 1 1 A 27 27 SER H H 27 8.432 8.568 -0.136 1
1 260 . 3 1 1 A 27 27 SER CA C 27 55.236 56.175 -0.939 1
1 261 . 3 1 1 A 27 27 SER HA H 27 3.720 4.420 -0.700 1
1 262 . 3 1 1 A 27 27 SER CB C 27 63.703 65.425 -1.722 1
1 265 . 3 1 1 A 27 27 SER C C 27 173.980 175.937 -1.957 1
1 266 . 3 1 1 A 28 28 LEU N N 28 121.319 122.232 -0.913 1
1 267 . 3 1 1 A 28 28 LEU H H 28 7.990 7.999 -0.009 1
1 268 . 3 1 1 A 28 28 LEU CA C 28 55.887 56.831 -0.944 1
1 269 . 3 1 1 A 28 28 LEU HA H 28 4.071 3.982 0.089 1
1 270 . 3 1 1 A 28 28 LEU CB C 28 42.184 42.116 0.068 1
1 283 . 3 1 1 A 28 28 LEU C C 28 177.159 177.085 0.074 1
1 284 . 3 1 1 A 29 29 GLU N N 29 115.740 117.101 -1.361 1
1 285 . 3 1 1 A 29 29 GLU H H 29 7.458 7.641 -0.183 1
1 286 . 3 1 1 A 29 29 GLU CA C 29 53.658 54.574 -0.916 1
1 287 . 3 1 1 A 29 29 GLU HA H 29 4.444 4.729 -0.285 1
1 288 . 3 1 1 A 29 29 GLU CB C 29 33.209 34.203 -0.994 1
1 294 . 3 1 1 A 29 29 GLU C C 29 174.417 174.923 -0.506 1
1 295 . 3 1 1 A 30 30 GLU N N 30 122.052 121.230 0.822 1
1 296 . 3 1 1 A 30 30 GLU H H 30 8.500 8.479 0.021 1
1 297 . 3 1 1 A 30 30 GLU CA C 30 57.621 56.674 0.947 1
1 298 . 3 1 1 A 30 30 GLU HA H 30 4.297 4.529 -0.232 1
1 299 . 3 1 1 A 30 30 GLU CB C 30 30.403 30.660 -0.257 1
1 305 . 3 1 1 A 30 30 GLU C C 30 177.087 175.855 1.232 1
1 306 . 3 1 1 A 31 31 ILE N N 31 120.377 120.707 -0.330 1
1 307 . 3 1 1 A 31 31 ILE H H 31 8.828 8.466 0.362 1
1 308 . 3 1 1 A 31 31 ILE CA C 31 59.741 58.290 1.451 1
1 309 . 3 1 1 A 31 31 ILE HA H 31 4.680 4.739 -0.059 1
1 310 . 3 1 1 A 31 31 ILE CB C 31 40.845 41.214 -0.369 1
1 323 . 3 1 1 A 31 31 ILE C C 31 175.776 176.370 -0.594 1
1 324 . 3 1 1 A 32 32 GLN N N 32 119.444 121.500 -2.056 1
1 325 . 3 1 1 A 32 32 GLN H H 32 8.668 8.982 -0.314 1
1 326 . 3 1 1 A 32 32 GLN CA C 32 57.277 57.824 -0.547 1
1 327 . 3 1 1 A 32 32 GLN HA H 32 4.302 4.286 0.016 1
1 328 . 3 1 1 A 32 32 GLN CB C 32 30.079 29.677 0.402 1
1 337 . 3 1 1 A 32 32 GLN C C 32 175.824 174.770 1.054 1
1 338 . 3 1 1 A 33 33 ASP N N 33 113.908 117.536 -3.628 1
1 339 . 3 1 1 A 33 33 ASP H H 33 7.684 7.448 0.236 1
1 340 . 3 1 1 A 33 33 ASP CA C 33 53.441 53.270 0.171 1
1 341 . 3 1 1 A 33 33 ASP HA H 33 4.754 4.891 -0.137 1
1 342 . 3 1 1 A 33 33 ASP CB C 33 43.727 43.665 0.062 1
1 345 . 3 1 1 A 33 33 ASP C C 33 175.824 175.800 0.024 1
1 346 . 3 1 1 A 34 34 VAL N N 34 114.196 122.672 -8.476 1
1 347 . 3 1 1 A 34 34 VAL H H 34 8.640 8.745 -0.105 1
1 348 . 3 1 1 A 34 34 VAL CA C 34 64.836 64.897 -0.061 1
1 349 . 3 1 1 A 34 34 VAL HA H 34 3.910 3.983 -0.073 1
1 350 . 3 1 1 A 34 34 VAL CB C 34 31.539 31.620 -0.081 1
1 360 . 3 1 1 A 34 34 VAL C C 34 177.669 177.901 -0.232 1
1 361 . 3 1 1 A 35 35 SER N N 35 120.001 117.005 2.996 1
1 362 . 3 1 1 A 35 35 SER H H 35 9.274 8.355 0.919 1
1 363 . 3 1 1 A 35 35 SER CA C 35 62.276 61.668 0.608 1
1 364 . 3 1 1 A 35 35 SER HA H 35 4.448 4.285 0.163 1
1 365 . 3 1 1 A 35 35 SER CB C 35 62.255 63.149 -0.894 1
1 368 . 3 1 1 A 35 35 SER C C 35 177.305 177.312 -0.007 1
1 369 . 3 1 1 A 36 36 CYS N N 36 120.840 119.946 0.894 1
1 370 . 3 1 1 A 36 36 CYS H H 36 7.894 8.077 -0.183 1
1 371 . 3 1 1 A 36 36 CYS CA C 36 62.416 62.964 -0.548 1
1 372 . 3 1 1 A 36 36 CYS HA H 36 4.310 4.285 0.025 1
1 373 . 3 1 1 A 36 36 CYS CB C 36 28.189 27.308 0.881 1
1 376 . 3 1 1 A 36 36 CYS C C 36 177.257 177.136 0.121 1
1 377 . 3 1 1 A 37 37 ALA N N 37 122.247 121.460 0.787 1
1 378 . 3 1 1 A 37 37 ALA H H 37 7.343 8.134 -0.791 1
1 379 . 3 1 1 A 37 37 ALA CA C 37 54.145 55.189 -1.044 1
1 380 . 3 1 1 A 37 37 ALA HA H 37 3.546 3.605 -0.059 1
1 381 . 3 1 1 A 37 37 ALA CB C 37 20.009 18.039 1.970 1
1 385 . 3 1 1 A 37 37 ALA C C 37 178.883 179.797 -0.914 1
1 386 . 3 1 1 A 38 38 TRP N N 38 117.352 118.713 -1.361 1
1 387 . 3 1 1 A 38 38 TRP H H 38 7.937 8.365 -0.428 1
1 388 . 3 1 1 A 38 38 TRP CA C 38 60.600 59.824 0.776 1
1 389 . 3 1 1 A 38 38 TRP HA H 38 4.276 4.407 -0.131 1
1 390 . 3 1 1 A 38 38 TRP CB C 38 29.693 29.053 0.640 1
1 405 . 3 1 1 A 38 38 TRP C C 38 178.664 179.101 -0.437 1
1 406 . 3 1 1 A 39 39 LYS N N 39 117.638 119.573 -1.935 1
1 407 . 3 1 1 A 39 39 LYS H H 39 8.102 8.214 -0.112 1
1 408 . 3 1 1 A 39 39 LYS CA C 39 60.009 59.104 0.905 1
1 409 . 3 1 1 A 39 39 LYS HA H 39 4.031 4.175 -0.144 1
1 410 . 3 1 1 A 39 39 LYS CB C 39 32.471 32.376 0.095 1
1 421 . 3 1 1 A 39 39 LYS C C 39 178.713 178.603 0.110 1
1 422 . 3 1 1 A 40 40 GLU N N 40 120.486 120.485 0.001 1
1 423 . 3 1 1 A 40 40 GLU H H 40 6.821 8.120 -1.299 1
1 424 . 3 1 1 A 40 40 GLU CA C 40 58.486 59.140 -0.654 1
1 425 . 3 1 1 A 40 40 GLU HA H 40 4.350 4.143 0.207 1
1 426 . 3 1 1 A 40 40 GLU CB C 40 28.459 29.424 -0.965 1
1 432 . 3 1 1 A 40 40 GLU C C 40 178.543 179.425 -0.882 1
1 433 . 3 1 1 A 41 41 LEU N N 41 119.356 120.378 -1.022 1
1 434 . 3 1 1 A 41 41 LEU H H 41 8.291 8.828 -0.537 1
1 435 . 3 1 1 A 41 41 LEU CA C 41 59.002 58.127 0.875 1
1 436 . 3 1 1 A 41 41 LEU HA H 41 3.947 4.167 -0.220 1
1 437 . 3 1 1 A 41 41 LEU CB C 41 41.914 41.180 0.734 1
1 450 . 3 1 1 A 41 41 LEU C C 41 178.106 179.410 -1.304 1
1 451 . 3 1 1 A 42 42 ASN N N 42 113.310 116.740 -3.430 1
1 452 . 3 1 1 A 42 42 ASN H H 42 8.350 8.203 0.147 1
1 453 . 3 1 1 A 42 42 ASN CA C 42 55.623 56.426 -0.803 1
1 454 . 3 1 1 A 42 42 ASN HA H 42 4.420 4.517 -0.097 1
1 455 . 3 1 1 A 42 42 ASN CB C 42 39.318 38.033 1.285 1
1 461 . 3 1 1 A 42 42 ASN C C 42 176.820 177.312 -0.492 1
1 462 . 3 1 1 A 43 43 ARG N N 43 117.734 118.139 -0.405 1
1 463 . 3 1 1 A 43 43 ARG H H 43 7.578 8.069 -0.491 1
1 464 . 3 1 1 A 43 43 ARG CA C 43 58.301 57.466 0.835 1
1 465 . 3 1 1 A 43 43 ARG HA H 43 4.227 4.190 0.037 1
1 466 . 3 1 1 A 43 43 ARG CB C 43 31.361 30.243 1.118 1
1 475 . 3 1 1 A 43 43 ARG C C 43 178.106 177.462 0.644 1
1 476 . 3 1 1 A 44 44 LYS N N 44 115.502 116.982 -1.480 1
1 477 . 3 1 1 A 44 44 LYS H H 44 7.365 7.614 -0.249 1
1 478 . 3 1 1 A 44 44 LYS CA C 44 55.367 55.437 -0.070 1
1 479 . 3 1 1 A 44 44 LYS HA H 44 4.280 4.549 -0.269 1
1 480 . 3 1 1 A 44 44 LYS CB C 44 34.289 34.213 0.076 1
1 491 . 3 1 1 A 44 44 LYS C C 44 176.504 175.602 0.902 1
1 492 . 3 1 1 A 45 45 LEU N N 45 118.486 120.945 -2.459 1
1 493 . 3 1 1 A 45 45 LEU H H 45 7.977 7.294 0.683 1
1 494 . 3 1 1 A 45 45 LEU CA C 45 53.335 53.108 0.227 1
1 495 . 3 1 1 A 45 45 LEU HA H 45 4.882 4.848 0.034 1
1 496 . 3 1 1 A 45 45 LEU CB C 45 45.307 45.427 -0.120 1
1 509 . 3 1 1 A 45 45 LEU C C 45 176.771 176.035 0.736 1
1 510 . 3 1 1 A 46 46 SER N N 46 116.809 113.913 2.896 1
1 511 . 3 1 1 A 46 46 SER H H 46 9.074 8.482 0.592 1
1 512 . 3 1 1 A 46 46 SER CA C 46 57.981 56.505 1.476 1
1 513 . 3 1 1 A 46 46 SER HA H 46 4.407 4.962 -0.555 1
1 514 . 3 1 1 A 46 46 SER CB C 46 64.496 65.883 -1.387 1
1 517 . 3 1 1 A 46 46 SER C C 46 175.387 176.342 -0.955 1
1 518 . 3 1 1 A 47 47 SER N N 47 117.511 116.509 1.002 1
1 519 . 3 1 1 A 47 47 SER H H 47 8.955 8.999 -0.044 1
1 520 . 3 1 1 A 47 47 SER CA C 47 61.523 61.633 -0.110 1
1 521 . 3 1 1 A 47 47 SER HA H 47 4.197 4.256 -0.059 1
1 522 . 3 1 1 A 47 47 SER CB C 47 62.412 63.749 -1.337 1
1 525 . 3 1 1 A 48 48 ASN H H 48 8.475 8.130 0.345 1
1 526 . 3 1 1 A 48 48 ASN CA C 48 56.327 56.005 0.322 1
1 527 . 3 1 1 A 48 48 ASN HA H 48 4.421 4.448 -0.027 1
1 528 . 3 1 1 A 48 48 ASN CB C 48 38.635 38.713 -0.078 1
1 534 . 3 1 1 A 48 48 ASN C C 48 177.232 177.319 -0.087 1
1 535 . 3 1 1 A 49 49 ALA N N 49 123.504 121.851 1.653 1
1 536 . 3 1 1 A 49 49 ALA H H 49 7.837 7.661 0.176 1
1 537 . 3 1 1 A 49 49 ALA CA C 49 55.271 55.214 0.057 1
1 538 . 3 1 1 A 49 49 ALA HA H 49 4.171 4.288 -0.117 1
1 539 . 3 1 1 A 49 49 ALA CB C 49 19.301 18.246 1.055 1
1 543 . 3 1 1 A 49 49 ALA C C 49 179.830 179.704 0.126 1
1 544 . 3 1 1 A 50 50 VAL N N 50 115.694 116.603 -0.909 1
1 545 . 3 1 1 A 50 50 VAL H H 50 8.069 8.120 -0.051 1
1 546 . 3 1 1 A 50 50 VAL CA C 50 65.728 64.431 1.297 1
1 547 . 3 1 1 A 50 50 VAL HA H 50 3.645 3.735 -0.090 1
1 548 . 3 1 1 A 50 50 VAL CB C 50 31.836 31.611 0.225 1
1 558 . 3 1 1 A 50 50 VAL C C 50 178.567 177.445 1.122 1
1 559 . 3 1 1 A 51 51 SER N N 51 114.048 116.981 -2.933 1
1 560 . 3 1 1 A 51 51 SER H H 51 7.849 7.799 0.050 1
1 561 . 3 1 1 A 51 51 SER CA C 51 60.756 60.750 0.006 1
1 562 . 3 1 1 A 51 51 SER HA H 51 4.334 4.325 0.009 1
1 563 . 3 1 1 A 51 51 SER CB C 51 63.383 62.802 0.581 1
1 565 . 3 1 1 A 51 51 SER C C 51 174.635 175.611 -0.976 1
1 566 . 3 1 1 A 52 52 GLN N N 52 118.482 117.814 0.668 1
1 567 . 3 1 1 A 52 52 GLN H H 52 7.564 7.795 -0.231 1
1 568 . 3 1 1 A 52 52 GLN CA C 52 55.306 56.926 -1.620 1
1 569 . 3 1 1 A 52 52 GLN HA H 52 4.389 4.443 -0.054 1
1 570 . 3 1 1 A 52 52 GLN CB C 52 29.217 29.311 -0.094 1
1 579 . 3 1 1 A 52 52 GLN C C 52 175.315 176.615 -1.300 1
1 580 . 3 1 1 A 53 53 ILE N N 53 119.847 121.996 -2.149 1
1 581 . 3 1 1 A 53 53 ILE H H 53 7.281 6.997 0.284 1
1 582 . 3 1 1 A 53 53 ILE CA C 53 62.903 62.268 0.635 1
1 583 . 3 1 1 A 53 53 ILE HA H 53 4.417 4.005 0.412 1
1 584 . 3 1 1 A 53 53 ILE CB C 53 38.124 37.147 0.977 1
1 597 . 3 1 1 A 53 53 ILE C C 53 176.383 175.577 0.806 1
1 598 . 3 1 1 A 54 54 THR N N 54 120.582 120.532 0.050 1
1 599 . 3 1 1 A 54 54 THR H H 54 9.046 8.744 0.302 1
1 600 . 3 1 1 A 54 54 THR CA C 54 59.846 59.645 0.201 1
1 601 . 3 1 1 A 54 54 THR HA H 54 4.834 4.964 -0.130 1
1 602 . 3 1 1 A 54 54 THR CB C 54 71.904 72.032 -0.128 1
1 608 . 3 1 1 A 54 54 THR C C 54 172.135 173.206 -1.071 1
1 609 . 3 1 1 A 55 55 ARG N N 55 118.375 122.894 -4.519 1
1 610 . 3 1 1 A 55 55 ARG H H 55 8.511 8.811 -0.300 1
1 611 . 3 1 1 A 55 55 ARG CA C 55 57.312 56.906 0.406 1
1 612 . 3 1 1 A 55 55 ARG HA H 55 3.782 3.762 0.020 1
1 613 . 3 1 1 A 55 55 ARG CB C 55 28.704 28.113 0.591 1
1 622 . 3 1 1 A 55 55 ARG C C 55 174.684 174.793 -0.109 1
1 623 . 3 1 1 A 56 56 MET N N 56 118.525 117.068 1.457 1
1 624 . 3 1 1 A 56 56 MET H H 56 8.279 8.013 0.266 1
1 625 . 3 1 1 A 56 56 MET CA C 56 55.799 55.164 0.635 1
1 626 . 3 1 1 A 56 56 MET HA H 56 5.188 5.141 0.047 1
1 627 . 3 1 1 A 56 56 MET CB C 56 33.062 33.494 -0.432 1
1 637 . 3 1 1 A 56 56 MET C C 56 177.572 174.936 2.636 1
1 638 . 3 1 1 A 57 57 CYS N N 57 126.541 124.130 2.411 1
1 639 . 3 1 1 A 57 57 CYS H H 57 9.340 9.090 0.250 1
1 640 . 3 1 1 A 57 57 CYS CA C 57 57.171 57.590 -0.419 1
1 641 . 3 1 1 A 57 57 CYS HA H 57 4.794 5.219 -0.425 1
1 642 . 3 1 1 A 57 57 CYS CB C 57 31.161 32.977 -1.816 1
1 645 . 3 1 1 A 57 57 CYS C C 57 173.057 173.503 -0.446 1
1 646 . 3 1 1 A 58 58 LEU N N 58 123.786 123.094 0.692 1
1 647 . 3 1 1 A 58 58 LEU H H 58 8.682 8.531 0.151 1
1 648 . 3 1 1 A 58 58 LEU CA C 58 55.975 53.864 2.111 1
1 649 . 3 1 1 A 58 58 LEU HA H 58 4.520 4.663 -0.143 1
1 650 . 3 1 1 A 58 58 LEU CB C 58 43.097 42.416 0.681 1
1 663 . 3 1 1 A 58 58 LEU C C 58 177.960 177.230 0.730 1
1 664 . 3 1 1 A 59 59 LEU N N 59 124.007 125.570 -1.563 1
1 665 . 3 1 1 A 59 59 LEU H H 59 8.269 8.856 -0.587 1
1 666 . 3 1 1 A 59 59 LEU CA C 59 54.156 54.951 -0.795 1
1 667 . 3 1 1 A 59 59 LEU HA H 59 4.261 4.237 0.024 1
1 668 . 3 1 1 A 59 59 LEU CB C 59 42.986 42.353 0.633 1
1 681 . 3 1 1 A 59 59 LEU C C 59 177.645 176.380 1.265 1
1 682 . 3 1 1 A 60 60 LYS N N 60 122.593 123.063 -0.470 1
1 683 . 3 1 1 A 60 60 LYS H H 60 8.458 8.620 -0.162 1
1 684 . 3 1 1 A 60 60 LYS CA C 60 58.263 58.292 -0.029 1
1 685 . 3 1 1 A 60 60 LYS HA H 60 4.101 3.917 0.184 1
1 686 . 3 1 1 A 60 60 LYS CB C 60 31.732 32.022 -0.290 1
1 696 . 3 1 1 A 60 60 LYS C C 60 178.422 177.310 1.112 1
1 697 . 3 1 1 A 61 61 GLY H H 61 9.070 8.665 0.405 1
1 698 . 3 1 1 A 61 61 GLY CA C 61 45.355 45.092 0.263 1
1 699 . 3 1 1 A 61 61 GLY HA2 H 61 3.641 3.949 -0.308 1
1 700 . 3 1 1 A 61 61 GLY HA3 H 61 4.223 3.951 0.272 1
1 701 . 3 1 1 A 61 61 GLY C C 61 173.907 174.844 -0.937 1
1 702 . 3 1 1 A 62 62 ASN N N 62 112.617 114.771 -2.154 1
1 703 . 3 1 1 A 62 62 ASN H H 62 8.639 8.642 -0.003 1
1 704 . 3 1 1 A 62 62 ASN CA C 62 55.115 54.585 0.530 1
1 705 . 3 1 1 A 62 62 ASN HA H 62 4.208 4.412 -0.204 1
1 706 . 3 1 1 A 62 62 ASN CB C 62 36.133 36.857 -0.724 1
1 712 . 3 1 1 A 62 62 ASN C C 62 173.810 175.342 -1.532 1
1 713 . 3 1 1 A 63 63 MET N N 63 114.254 115.855 -1.601 1
1 714 . 3 1 1 A 63 63 MET H H 63 7.967 8.378 -0.411 1
1 715 . 3 1 1 A 63 63 MET CA C 63 53.229 55.464 -2.235 1
1 716 . 3 1 1 A 63 63 MET HA H 63 4.908 4.570 0.338 1
1 717 . 3 1 1 A 63 63 MET CB C 63 29.363 33.524 -4.161 1
1 727 . 3 1 1 A 63 63 MET C C 63 175.436 175.144 0.292 1
1 728 . 3 1 1 A 64 64 GLY N N 64 102.826 107.483 -4.657 1
1 729 . 3 1 1 A 64 64 GLY H H 64 7.039 7.472 -0.433 1
1 730 . 3 1 1 A 64 64 GLY CA C 64 45.381 45.702 -0.321 1
1 731 . 3 1 1 A 64 64 GLY HA2 H 64 4.902 4.135 0.767 1
1 732 . 3 1 1 A 64 64 GLY HA3 H 64 4.026 4.244 -0.218 1
1 733 . 3 1 1 A 64 64 GLY C C 64 171.868 171.496 0.372 1
1 734 . 3 1 1 A 65 65 VAL N N 65 110.602 115.118 -4.516 1
1 735 . 3 1 1 A 65 65 VAL H H 65 8.994 8.892 0.102 1
1 736 . 3 1 1 A 65 65 VAL CA C 65 58.892 59.212 -0.320 1
1 737 . 3 1 1 A 65 65 VAL HA H 65 5.511 5.090 0.421 1
1 738 . 3 1 1 A 65 65 VAL CB C 65 36.392 35.768 0.624 1
1 748 . 3 1 1 A 65 65 VAL C C 65 174.319 174.118 0.201 1
1 749 . 3 1 1 A 66 66 CYS N N 66 115.721 120.695 -4.974 1
1 750 . 3 1 1 A 66 66 CYS H H 66 9.175 9.071 0.104 1
1 751 . 3 1 1 A 66 66 CYS CA C 66 54.912 56.774 -1.862 1
1 752 . 3 1 1 A 66 66 CYS HA H 66 5.590 5.283 0.307 1
1 753 . 3 1 1 A 66 66 CYS CB C 66 31.672 30.855 0.817 1
1 756 . 3 1 1 A 66 66 CYS C C 66 171.941 173.393 -1.452 1
1 757 . 3 1 1 A 67 67 PHE N N 67 114.941 118.206 -3.265 1
1 758 . 3 1 1 A 67 67 PHE H H 67 8.220 8.391 -0.171 1
1 759 . 3 1 1 A 67 67 PHE CA C 67 56.468 55.888 0.580 1
1 760 . 3 1 1 A 67 67 PHE HA H 67 4.879 5.274 -0.395 1
1 761 . 3 1 1 A 67 67 PHE CB C 67 39.366 41.008 -1.642 1
1 774 . 3 1 1 A 67 67 PHE C C 67 171.552 172.136 -0.584 1
1 775 . 3 1 1 A 68 68 ASP N N 68 119.507 119.450 0.057 1
1 776 . 3 1 1 A 68 68 ASP H H 68 9.072 8.989 0.083 1
1 777 . 3 1 1 A 68 68 ASP CA C 68 52.737 53.239 -0.502 1
1 778 . 3 1 1 A 68 68 ASP HA H 68 5.901 5.670 0.231 1
1 779 . 3 1 1 A 68 68 ASP CB C 68 42.545 44.394 -1.849 1
1 782 . 3 1 1 A 68 68 ASP C C 68 176.116 175.181 0.935 1
1 783 . 3 1 1 A 69 69 VAL N N 69 114.937 117.145 -2.208 1
1 784 . 3 1 1 A 69 69 VAL H H 69 8.819 8.949 -0.130 1
1 785 . 3 1 1 A 69 69 VAL CA C 69 58.051 58.328 -0.277 1
1 786 . 3 1 1 A 69 69 VAL HA H 69 5.205 4.940 0.265 1
1 787 . 3 1 1 A 69 69 VAL CB C 69 35.698 35.339 0.359 1
1 797 . 3 1 1 A 69 69 VAL C C 69 173.154 173.788 -0.634 1
1 798 . 3 1 1 A 70 70 PRO CA C 70 62.946 61.406 1.540 1
1 799 . 3 1 1 A 70 70 PRO HA H 70 4.479 3.749 0.730 1
1 800 . 3 1 1 A 70 70 PRO CB C 70 32.255 32.390 -0.135 1
1 809 . 3 1 1 A 70 70 PRO C C 70 178.737 176.997 1.740 1
1 810 . 3 1 1 A 71 71 THR N N 71 119.743 114.480 5.263 1
1 811 . 3 1 1 A 71 71 THR H H 71 8.401 8.330 0.071 1
1 812 . 3 1 1 A 71 71 THR CA C 71 66.415 64.250 2.165 1
1 813 . 3 1 1 A 71 71 THR HA H 71 3.761 3.986 -0.225 1
1 814 . 3 1 1 A 71 71 THR CB C 71 68.476 68.715 -0.239 1
1 820 . 3 1 1 A 71 71 THR C C 71 176.965 175.263 1.702 1
1 821 . 3 1 1 A 72 72 THR N N 72 109.724 114.061 -4.337 1
1 822 . 3 1 1 A 72 72 THR H H 72 7.747 7.745 0.002 1
1 823 . 3 1 1 A 72 72 THR CA C 72 64.100 63.560 0.540 1
1 824 . 3 1 1 A 72 72 THR HA H 72 4.120 4.235 -0.115 1
1 825 . 3 1 1 A 72 72 THR CB C 72 68.471 69.262 -0.791 1
1 831 . 3 1 1 A 72 72 THR C C 72 175.849 175.152 0.697 1
1 832 . 3 1 1 A 73 73 GLU N N 73 118.626 120.928 -2.302 1
1 833 . 3 1 1 A 73 73 GLU H H 73 7.767 7.624 0.143 1
1 834 . 3 1 1 A 73 73 GLU CA C 73 55.623 56.310 -0.687 1
1 835 . 3 1 1 A 73 73 GLU HA H 73 4.587 4.584 0.003 1
1 836 . 3 1 1 A 73 73 GLU CB C 73 30.542 31.020 -0.478 1
1 842 . 3 1 1 A 73 73 GLU C C 73 177.257 178.043 -0.786 1
1 843 . 3 1 1 A 74 74 SER N N 74 114.932 115.922 -0.990 1
1 844 . 3 1 1 A 74 74 SER H H 74 7.442 8.181 -0.739 1
1 845 . 3 1 1 A 74 74 SER CA C 74 62.099 61.276 0.823 1
1 846 . 3 1 1 A 74 74 SER HA H 74 3.938 4.174 -0.236 1
1 847 . 3 1 1 A 74 74 SER CB C 74 63.067 62.596 0.471 1
1 850 . 3 1 1 A 74 74 SER C C 74 176.528 177.135 -0.607 1
1 851 . 3 1 1 A 75 75 GLU N N 75 120.907 122.626 -1.719 1
1 852 . 3 1 1 A 75 75 GLU H H 75 8.350 7.683 0.667 1
1 853 . 3 1 1 A 75 75 GLU CA C 75 59.706 59.330 0.376 1
1 854 . 3 1 1 A 75 75 GLU HA H 75 4.045 4.125 -0.080 1
1 855 . 3 1 1 A 75 75 GLU CB C 75 29.085 29.144 -0.059 1
1 861 . 3 1 1 A 75 75 GLU C C 75 179.320 179.275 0.045 1
1 862 . 3 1 1 A 76 76 ARG N N 76 121.343 120.254 1.089 1
1 863 . 3 1 1 A 76 76 ARG H H 76 7.948 7.694 0.254 1
1 864 . 3 1 1 A 76 76 ARG CA C 76 59.188 59.292 -0.104 1
1 865 . 3 1 1 A 76 76 ARG HA H 76 4.094 4.115 -0.021 1
1 866 . 3 1 1 A 76 76 ARG CB C 76 29.726 30.555 -0.829 1
1 875 . 3 1 1 A 76 76 ARG C C 76 178.373 178.573 -0.200 1
1 876 . 3 1 1 A 77 77 LEU N N 77 120.110 120.095 0.015 1
1 877 . 3 1 1 A 77 77 LEU H H 77 8.029 8.290 -0.261 1
1 878 . 3 1 1 A 77 77 LEU CA C 77 59.809 57.981 1.828 1
1 879 . 3 1 1 A 77 77 LEU HA H 77 3.975 4.008 -0.033 1
1 880 . 3 1 1 A 77 77 LEU CB C 77 42.216 41.571 0.645 1
1 893 . 3 1 1 A 77 77 LEU C C 77 178.810 179.529 -0.719 1
1 894 . 3 1 1 A 78 78 GLN N N 78 114.090 117.738 -3.648 1
1 895 . 3 1 1 A 78 78 GLN H H 78 7.680 8.420 -0.740 1
1 896 . 3 1 1 A 78 78 GLN CA C 78 59.600 58.588 1.012 1
1 897 . 3 1 1 A 78 78 GLN HA H 78 3.915 4.084 -0.169 1
1 898 . 3 1 1 A 78 78 GLN CB C 78 30.101 28.148 1.953 1
1 907 . 3 1 1 A 78 78 GLN C C 78 178.325 178.004 0.321 1
1 908 . 3 1 1 A 79 79 ALA N N 79 119.863 122.194 -2.331 1
1 909 . 3 1 1 A 79 79 ALA H H 79 7.900 7.887 0.013 1
1 910 . 3 1 1 A 79 79 ALA CA C 79 54.321 54.568 -0.247 1
1 911 . 3 1 1 A 79 79 ALA HA H 79 4.255 4.400 -0.145 1
1 912 . 3 1 1 A 79 79 ALA CB C 79 18.596 18.889 -0.293 1
1 916 . 3 1 1 A 79 79 ALA C C 79 179.514 179.486 0.028 1
1 917 . 3 1 1 A 80 80 GLU N N 80 115.847 117.146 -1.299 1
1 918 . 3 1 1 A 80 80 GLU H H 80 7.773 8.406 -0.633 1
1 919 . 3 1 1 A 80 80 GLU CA C 80 57.312 58.101 -0.789 1
1 920 . 3 1 1 A 80 80 GLU HA H 80 4.286 4.393 -0.107 1
1 921 . 3 1 1 A 80 80 GLU CB C 80 31.095 30.080 1.015 1
1 927 . 3 1 1 A 80 80 GLU C C 80 176.965 177.706 -0.741 1
1 928 . 3 1 1 A 81 81 TRP N N 81 122.132 123.021 -0.889 1
1 929 . 3 1 1 A 81 81 TRP H H 81 7.661 7.685 -0.024 1
1 930 . 3 1 1 A 81 81 TRP CA C 81 58.641 55.769 2.872 1
1 931 . 3 1 1 A 81 81 TRP HA H 81 4.261 4.833 -0.572 1
1 932 . 3 1 1 A 81 81 TRP CB C 81 29.118 28.511 0.607 1
1 947 . 3 1 1 A 81 81 TRP C C 81 174.611 174.940 -0.329 1
1 948 . 3 1 1 A 82 82 HIS CA C 82 54.101 54.304 -0.203 1
1 949 . 3 1 1 A 82 82 HIS HA H 82 4.727 4.968 -0.241 1
1 950 . 3 1 1 A 82 82 HIS CB C 82 30.847 33.431 -2.584 1
1 957 . 3 1 1 A 83 83 ASP CA C 83 54.997 55.324 -0.327 1
1 958 . 3 1 1 A 83 83 ASP HA H 83 4.342 4.153 0.189 1
1 959 . 3 1 1 A 83 83 ASP CB C 83 40.395 40.496 -0.101 1
1 962 . 3 1 1 A 83 83 ASP C C 83 174.198 174.963 -0.765 1
1 963 . 3 1 1 A 84 84 SER N N 84 111.986 112.566 -0.580 1
1 964 . 3 1 1 A 84 84 SER H H 84 7.863 7.558 0.305 1
1 965 . 3 1 1 A 84 84 SER CA C 84 56.714 56.357 0.357 1
1 966 . 3 1 1 A 84 84 SER HA H 84 4.584 4.666 -0.082 1
1 967 . 3 1 1 A 84 84 SER CB C 84 64.374 65.356 -0.982 1
1 970 . 3 1 1 A 84 84 SER C C 84 174.489 174.319 0.170 1
1 971 . 3 1 1 A 85 85 ASP N N 85 125.547 119.456 6.091 1
1 972 . 3 1 1 A 85 85 ASP H H 85 9.268 9.006 0.262 1
1 973 . 3 1 1 A 85 85 ASP CA C 85 55.447 54.505 0.942 1
1 974 . 3 1 1 A 85 85 ASP HA H 85 4.704 5.027 -0.323 1
1 975 . 3 1 1 A 85 85 ASP CB C 85 40.980 41.737 -0.757 1
1 978 . 3 1 1 A 85 85 ASP C C 85 177.038 174.827 2.211 1
1 979 . 3 1 1 A 86 86 TRP N N 86 121.831 119.280 2.551 1
1 980 . 3 1 1 A 86 86 TRP H H 86 9.345 7.882 1.463 1
1 981 . 3 1 1 A 86 86 TRP CA C 86 56.967 56.168 0.799 1
1 982 . 3 1 1 A 86 86 TRP HA H 86 5.091 5.539 -0.448 1
1 983 . 3 1 1 A 86 86 TRP CB C 86 29.118 33.738 -4.620 1
1 998 . 3 1 1 A 86 86 TRP C C 86 176.723 175.619 1.104 1
1 999 . 3 1 1 A 87 87 ILE N N 87 123.116 122.235 0.881 1
1 1000 . 3 1 1 A 87 87 ILE H H 87 8.965 9.334 -0.369 1
1 1001 . 3 1 1 A 87 87 ILE CA C 87 60.595 59.683 0.912 1
1 1002 . 3 1 1 A 87 87 ILE HA H 87 4.462 4.857 -0.395 1
1 1003 . 3 1 1 A 87 87 ILE CB C 87 40.354 39.298 1.056 1
1 1016 . 3 1 1 A 87 87 ILE C C 87 175.824 174.291 1.533 1
1 1017 . 3 1 1 A 88 88 LEU N N 88 134.475 130.820 3.655 1
1 1018 . 3 1 1 A 88 88 LEU H H 88 8.736 9.079 -0.343 1
1 1019 . 3 1 1 A 88 88 LEU CA C 88 53.763 53.527 0.236 1
1 1020 . 3 1 1 A 88 88 LEU HA H 88 5.163 4.950 0.213 1
1 1021 . 3 1 1 A 88 88 LEU CB C 88 43.020 43.825 -0.805 1
1 1034 . 3 1 1 A 88 88 LEU C C 88 175.824 174.735 1.089 1
1 1035 . 3 1 1 A 89 89 SER N N 89 122.016 124.252 -2.236 1
1 1036 . 3 1 1 A 89 89 SER H H 89 9.152 9.123 0.029 1
1 1037 . 3 1 1 A 89 89 SER CA C 89 57.242 57.503 -0.261 1
1 1038 . 3 1 1 A 89 89 SER HA H 89 4.739 5.363 -0.624 1
1 1039 . 3 1 1 A 89 89 SER CB C 89 65.526 66.682 -1.156 1
1 1042 . 3 1 1 A 89 89 SER C C 89 171.989 172.663 -0.674 1
1 1043 . 3 1 1 A 90 90 VAL N N 90 119.844 121.539 -1.695 1
1 1044 . 3 1 1 A 90 90 VAL H H 90 8.220 8.773 -0.553 1
1 1045 . 3 1 1 A 90 90 VAL CA C 90 59.143 58.706 0.437 1
1 1046 . 3 1 1 A 90 90 VAL HA H 90 4.604 4.611 -0.007 1
1 1047 . 3 1 1 A 90 90 VAL CB C 90 33.056 33.265 -0.209 1
1 1057 . 3 1 1 A 90 90 VAL C C 90 174.198 174.325 -0.127 1
1 1058 . 3 1 1 A 91 91 PRO CA C 91 63.467 62.636 0.831 1
1 1059 . 3 1 1 A 91 91 PRO HA H 91 4.329 4.502 -0.173 1
1 1060 . 3 1 1 A 91 91 PRO CB C 91 32.003 32.702 -0.699 1
1 1069 . 3 1 1 A 91 91 PRO C C 91 175.557 176.831 -1.274 1
1 1 . 4 1 1 A 6 6 SER CA C 6 58.720 56.799 1.921 1
1 2 . 4 1 1 A 6 6 SER HA H 6 4.456 4.942 -0.486 1
1 3 . 4 1 1 A 6 6 SER CB C 6 63.880 66.113 -2.233 1
1 6 . 4 1 1 A 6 6 SER C C 6 174.951 173.148 1.803 1
1 7 . 4 1 1 A 7 7 GLY N N 7 110.558 108.251 2.307 1
1 8 . 4 1 1 A 7 7 GLY H H 7 8.377 8.232 0.145 1
1 9 . 4 1 1 A 7 7 GLY CA C 7 45.205 43.780 1.425 1
1 10 . 4 1 1 A 7 7 GLY HA2 H 7 3.879 3.967 -0.088 1
1 11 . 4 1 1 A 7 7 GLY HA3 H 7 3.910 4.062 -0.152 1
1 12 . 4 1 1 A 7 7 GLY C C 7 173.615 172.881 0.734 1
1 13 . 4 1 1 A 8 8 PHE N N 8 119.857 119.649 0.208 1
1 14 . 4 1 1 A 8 8 PHE H H 8 8.062 8.495 -0.433 1
1 15 . 4 1 1 A 8 8 PHE CA C 8 57.418 56.552 0.866 1
1 16 . 4 1 1 A 8 8 PHE HA H 8 4.624 5.042 -0.418 1
1 17 . 4 1 1 A 8 8 PHE CB C 8 39.749 38.919 0.830 1
1 30 . 4 1 1 A 8 8 PHE C C 8 175.242 174.659 0.583 1
1 31 . 4 1 1 A 9 9 GLU N N 9 124.807 115.427 9.380 1
1 32 . 4 1 1 A 9 9 GLU H H 9 8.311 8.104 0.207 1
1 33 . 4 1 1 A 9 9 GLU CA C 9 54.034 56.963 -2.929 1
1 34 . 4 1 1 A 9 9 GLU HA H 9 4.546 3.964 0.582 1
1 35 . 4 1 1 A 9 9 GLU CB C 9 29.859 28.091 1.768 1
1 40 . 4 1 1 A 9 9 GLU C C 9 174.125 177.325 -3.200 1
1 41 . 4 1 1 A 10 10 PRO CA C 10 63.366 64.790 -1.424 1
1 42 . 4 1 1 A 10 10 PRO HA H 10 4.334 4.284 0.050 1
1 43 . 4 1 1 A 10 10 PRO CB C 10 32.033 31.816 0.217 1
1 52 . 4 1 1 A 10 10 PRO C C 10 177.062 177.134 -0.072 1
1 53 . 4 1 1 A 11 11 ARG N N 11 120.726 119.372 1.354 1
1 54 . 4 1 1 A 11 11 ARG H H 11 8.477 8.023 0.454 1
1 55 . 4 1 1 A 11 11 ARG CA C 11 56.175 58.260 -2.085 1
1 56 . 4 1 1 A 11 11 ARG HA H 11 4.318 4.042 0.276 1
1 57 . 4 1 1 A 11 11 ARG CB C 11 30.831 28.867 1.964 1
1 66 . 4 1 1 A 11 11 ARG C C 11 176.455 176.236 0.219 1
1 67 . 4 1 1 A 12 12 SER N N 12 116.599 112.833 3.766 1
1 68 . 4 1 1 A 12 12 SER H H 12 8.289 8.750 -0.461 1
1 69 . 4 1 1 A 12 12 SER CA C 12 58.330 59.286 -0.956 1
1 70 . 4 1 1 A 12 12 SER HA H 12 4.396 4.111 0.285 1
1 71 . 4 1 1 A 12 12 SER CB C 12 63.633 61.973 1.660 1
1 74 . 4 1 1 A 12 12 SER C C 12 174.465 173.511 0.954 1
1 75 . 4 1 1 A 13 13 LEU N N 13 124.186 120.775 3.411 1
1 76 . 4 1 1 A 13 13 LEU H H 13 8.275 8.133 0.142 1
1 77 . 4 1 1 A 13 13 LEU CA C 13 55.306 54.474 0.832 1
1 78 . 4 1 1 A 13 13 LEU HA H 13 4.361 4.451 -0.090 1
1 79 . 4 1 1 A 13 13 LEU CB C 13 42.350 39.760 2.590 1
1 92 . 4 1 1 A 13 13 LEU C C 13 177.184 175.188 1.996 1
1 93 . 4 1 1 A 14 14 ILE N N 14 121.445 118.000 3.445 1
1 94 . 4 1 1 A 14 14 ILE H H 14 8.106 8.264 -0.158 1
1 95 . 4 1 1 A 14 14 ILE CA C 14 61.248 58.623 2.625 1
1 96 . 4 1 1 A 14 14 ILE HA H 14 4.202 4.952 -0.750 1
1 97 . 4 1 1 A 14 14 ILE CB C 14 38.555 42.626 -4.071 1
1 110 . 4 1 1 A 14 14 ILE C C 14 176.528 175.366 1.162 1
1 111 . 4 1 1 A 15 15 THR N N 15 118.053 114.250 3.803 1
1 112 . 4 1 1 A 15 15 THR H H 15 8.226 8.471 -0.245 1
1 113 . 4 1 1 A 15 15 THR CA C 15 61.573 60.845 0.728 1
1 114 . 4 1 1 A 15 15 THR HA H 15 4.401 4.756 -0.355 1
1 115 . 4 1 1 A 15 15 THR CB C 15 69.795 70.541 -0.746 1
1 121 . 4 1 1 A 15 15 THR C C 15 174.538 173.806 0.732 1
1 122 . 4 1 1 A 16 16 SER N N 16 117.877 113.683 4.194 1
1 123 . 4 1 1 A 16 16 SER H H 16 8.272 7.668 0.604 1
1 124 . 4 1 1 A 16 16 SER CA C 16 55.830 57.370 -1.540 1
1 125 . 4 1 1 A 16 16 SER HA H 16 4.448 4.830 -0.382 1
1 126 . 4 1 1 A 16 16 SER CB C 16 63.880 65.818 -1.938 1
1 129 . 4 1 1 A 16 16 SER C C 16 174.247 173.840 0.407 1
1 130 . 4 1 1 A 17 17 ASP N N 17 122.892 124.253 -1.361 1
1 131 . 4 1 1 A 17 17 ASP H H 17 8.425 8.850 -0.425 1
1 132 . 4 1 1 A 17 17 ASP CA C 17 54.461 54.474 -0.013 1
1 133 . 4 1 1 A 17 17 ASP HA H 17 4.611 4.913 -0.302 1
1 134 . 4 1 1 A 17 17 ASP CB C 17 41.340 44.052 -2.712 1
1 137 . 4 1 1 A 17 17 ASP C C 17 176.358 175.923 0.435 1
1 138 . 4 1 1 A 18 18 LYS N N 18 121.459 119.884 1.575 1
1 139 . 4 1 1 A 18 18 LYS H H 18 8.349 7.707 0.642 1
1 140 . 4 1 1 A 18 18 LYS CA C 18 56.526 56.632 -0.106 1
1 141 . 4 1 1 A 18 18 LYS HA H 18 4.356 4.289 0.067 1
1 142 . 4 1 1 A 18 18 LYS CB C 18 32.744 31.373 1.371 1
1 152 . 4 1 1 A 18 18 LYS C C 18 177.305 176.798 0.507 1
1 153 . 4 1 1 A 19 19 GLY N N 19 109.072 110.703 -1.631 1
1 154 . 4 1 1 A 19 19 GLY H H 19 8.533 7.744 0.789 1
1 155 . 4 1 1 A 19 19 GLY CA C 19 45.451 46.046 -0.595 1
1 156 . 4 1 1 A 19 19 GLY HA2 H 19 3.884 4.326 -0.442 1
1 157 . 4 1 1 A 19 19 GLY HA3 H 19 3.960 4.359 -0.399 1
1 158 . 4 1 1 A 19 19 GLY C C 19 174.028 171.669 2.359 1
1 159 . 4 1 1 A 20 20 PHE N N 20 119.395 120.075 -0.680 1
1 160 . 4 1 1 A 20 20 PHE H H 20 8.014 8.649 -0.635 1
1 161 . 4 1 1 A 20 20 PHE CA C 20 56.992 56.353 0.639 1
1 162 . 4 1 1 A 20 20 PHE HA H 20 5.166 5.446 -0.280 1
1 163 . 4 1 1 A 20 20 PHE CB C 20 43.122 43.597 -0.475 1
1 176 . 4 1 1 A 20 20 PHE C C 20 174.247 174.416 -0.169 1
1 177 . 4 1 1 A 21 21 VAL N N 21 119.613 117.246 2.367 1
1 178 . 4 1 1 A 21 21 VAL H H 21 9.282 9.164 0.118 1
1 179 . 4 1 1 A 21 21 VAL CA C 21 60.286 60.343 -0.057 1
1 180 . 4 1 1 A 21 21 VAL HA H 21 4.403 4.859 -0.456 1
1 181 . 4 1 1 A 21 21 VAL CB C 21 35.624 35.763 -0.139 1
1 191 . 4 1 1 A 21 21 VAL C C 21 174.077 174.375 -0.298 1
1 192 . 4 1 1 A 22 22 THR N N 22 123.150 122.574 0.576 1
1 193 . 4 1 1 A 22 22 THR H H 22 8.226 8.820 -0.594 1
1 194 . 4 1 1 A 22 22 THR CA C 22 61.672 62.000 -0.328 1
1 195 . 4 1 1 A 22 22 THR HA H 22 5.214 4.691 0.523 1
1 196 . 4 1 1 A 22 22 THR CB C 22 69.636 70.267 -0.631 1
1 202 . 4 1 1 A 22 22 THR C C 22 174.319 173.564 0.755 1
1 203 . 4 1 1 A 23 23 MET N N 23 125.701 121.594 4.107 1
1 204 . 4 1 1 A 23 23 MET H H 23 9.254 9.192 0.062 1
1 205 . 4 1 1 A 23 23 MET CA C 23 54.250 54.219 0.031 1
1 206 . 4 1 1 A 23 23 MET HA H 23 4.680 4.963 -0.283 1
1 207 . 4 1 1 A 23 23 MET CB C 23 34.967 37.236 -2.269 1
1 217 . 4 1 1 A 23 23 MET C C 23 174.028 174.515 -0.487 1
1 218 . 4 1 1 A 24 24 THR N N 24 109.251 112.189 -2.938 1
1 219 . 4 1 1 A 24 24 THR H H 24 8.410 8.323 0.087 1
1 220 . 4 1 1 A 24 24 THR CA C 24 59.952 59.417 0.535 1
1 221 . 4 1 1 A 24 24 THR HA H 24 4.838 4.891 -0.053 1
1 222 . 4 1 1 A 24 24 THR CB C 24 71.427 71.813 -0.386 1
1 228 . 4 1 1 A 24 24 THR C C 24 172.353 172.655 -0.302 1
1 229 . 4 1 1 A 25 25 LEU N N 25 125.384 122.527 2.857 1
1 230 . 4 1 1 A 25 25 LEU H H 25 8.901 8.424 0.477 1
1 231 . 4 1 1 A 25 25 LEU CA C 25 53.373 54.193 -0.820 1
1 232 . 4 1 1 A 25 25 LEU HA H 25 5.333 5.190 0.143 1
1 233 . 4 1 1 A 25 25 LEU CB C 25 45.607 45.880 -0.273 1
1 246 . 4 1 1 A 25 25 LEU C C 25 175.606 174.436 1.170 1
1 247 . 4 1 1 A 26 26 GLU N N 26 125.482 126.263 -0.781 1
1 248 . 4 1 1 A 26 26 GLU H H 26 9.147 9.213 -0.066 1
1 249 . 4 1 1 A 26 26 GLU CA C 26 56.010 54.693 1.317 1
1 250 . 4 1 1 A 26 26 GLU HA H 26 4.922 4.950 -0.028 1
1 251 . 4 1 1 A 26 26 GLU CB C 26 33.588 32.021 1.567 1
1 257 . 4 1 1 A 26 26 GLU C C 26 175.387 176.035 -0.648 1
1 258 . 4 1 1 A 27 27 SER N N 27 118.827 120.682 -1.855 1
1 259 . 4 1 1 A 27 27 SER H H 27 8.432 8.704 -0.272 1
1 260 . 4 1 1 A 27 27 SER CA C 27 55.236 57.037 -1.801 1
1 261 . 4 1 1 A 27 27 SER HA H 27 3.720 3.267 0.453 1
1 262 . 4 1 1 A 27 27 SER CB C 27 63.703 63.039 0.664 1
1 265 . 4 1 1 A 27 27 SER C C 27 173.980 174.039 -0.059 1
1 266 . 4 1 1 A 28 28 LEU N N 28 121.319 121.029 0.290 1
1 267 . 4 1 1 A 28 28 LEU H H 28 7.990 8.394 -0.404 1
1 268 . 4 1 1 A 28 28 LEU CA C 28 55.887 54.653 1.234 1
1 269 . 4 1 1 A 28 28 LEU HA H 28 4.071 4.526 -0.455 1
1 270 . 4 1 1 A 28 28 LEU CB C 28 42.184 43.114 -0.930 1
1 283 . 4 1 1 A 28 28 LEU C C 28 177.159 176.125 1.034 1
1 284 . 4 1 1 A 29 29 GLU N N 29 115.740 117.093 -1.353 1
1 285 . 4 1 1 A 29 29 GLU H H 29 7.458 7.400 0.058 1
1 286 . 4 1 1 A 29 29 GLU CA C 29 53.658 55.081 -1.423 1
1 287 . 4 1 1 A 29 29 GLU HA H 29 4.444 4.531 -0.087 1
1 288 . 4 1 1 A 29 29 GLU CB C 29 33.209 33.378 -0.169 1
1 294 . 4 1 1 A 29 29 GLU C C 29 174.417 175.108 -0.691 1
1 295 . 4 1 1 A 30 30 GLU N N 30 122.052 120.379 1.673 1
1 296 . 4 1 1 A 30 30 GLU H H 30 8.500 8.420 0.080 1
1 297 . 4 1 1 A 30 30 GLU CA C 30 57.621 56.616 1.005 1
1 298 . 4 1 1 A 30 30 GLU HA H 30 4.297 4.661 -0.364 1
1 299 . 4 1 1 A 30 30 GLU CB C 30 30.403 30.195 0.208 1
1 305 . 4 1 1 A 30 30 GLU C C 30 177.087 177.032 0.055 1
1 306 . 4 1 1 A 31 31 ILE N N 31 120.377 121.902 -1.525 1
1 307 . 4 1 1 A 31 31 ILE H H 31 8.828 8.106 0.722 1
1 308 . 4 1 1 A 31 31 ILE CA C 31 59.741 59.021 0.720 1
1 309 . 4 1 1 A 31 31 ILE HA H 31 4.680 4.584 0.096 1
1 310 . 4 1 1 A 31 31 ILE CB C 31 40.845 39.873 0.972 1
1 323 . 4 1 1 A 31 31 ILE C C 31 175.776 177.038 -1.262 1
1 324 . 4 1 1 A 32 32 GLN N N 32 119.444 120.531 -1.087 1
1 325 . 4 1 1 A 32 32 GLN H H 32 8.668 8.208 0.460 1
1 326 . 4 1 1 A 32 32 GLN CA C 32 57.277 57.818 -0.541 1
1 327 . 4 1 1 A 32 32 GLN HA H 32 4.302 4.338 -0.036 1
1 328 . 4 1 1 A 32 32 GLN CB C 32 30.079 29.656 0.423 1
1 337 . 4 1 1 A 32 32 GLN C C 32 175.824 175.705 0.119 1
1 338 . 4 1 1 A 33 33 ASP N N 33 113.908 115.524 -1.616 1
1 339 . 4 1 1 A 33 33 ASP H H 33 7.684 7.892 -0.208 1
1 340 . 4 1 1 A 33 33 ASP CA C 33 53.441 52.979 0.462 1
1 341 . 4 1 1 A 33 33 ASP HA H 33 4.754 4.826 -0.072 1
1 342 . 4 1 1 A 33 33 ASP CB C 33 43.727 43.556 0.171 1
1 345 . 4 1 1 A 33 33 ASP C C 33 175.824 175.785 0.039 1
1 346 . 4 1 1 A 34 34 VAL N N 34 114.196 121.991 -7.795 1
1 347 . 4 1 1 A 34 34 VAL H H 34 8.640 8.787 -0.147 1
1 348 . 4 1 1 A 34 34 VAL CA C 34 64.836 64.980 -0.144 1
1 349 . 4 1 1 A 34 34 VAL HA H 34 3.910 3.849 0.061 1
1 350 . 4 1 1 A 34 34 VAL CB C 34 31.539 31.420 0.119 1
1 360 . 4 1 1 A 34 34 VAL C C 34 177.669 177.690 -0.021 1
1 361 . 4 1 1 A 35 35 SER N N 35 120.001 116.858 3.143 1
1 362 . 4 1 1 A 35 35 SER H H 35 9.274 8.125 1.149 1
1 363 . 4 1 1 A 35 35 SER CA C 35 62.276 62.206 0.070 1
1 364 . 4 1 1 A 35 35 SER HA H 35 4.448 4.434 0.014 1
1 365 . 4 1 1 A 35 35 SER CB C 35 62.255 63.086 -0.831 1
1 368 . 4 1 1 A 35 35 SER C C 35 177.305 176.671 0.634 1
1 369 . 4 1 1 A 36 36 CYS N N 36 120.840 120.398 0.442 1
1 370 . 4 1 1 A 36 36 CYS H H 36 7.894 8.297 -0.403 1
1 371 . 4 1 1 A 36 36 CYS CA C 36 62.416 62.968 -0.552 1
1 372 . 4 1 1 A 36 36 CYS HA H 36 4.310 4.459 -0.149 1
1 373 . 4 1 1 A 36 36 CYS CB C 36 28.189 27.324 0.865 1
1 376 . 4 1 1 A 36 36 CYS C C 36 177.257 176.903 0.354 1
1 377 . 4 1 1 A 37 37 ALA N N 37 122.247 122.213 0.034 1
1 378 . 4 1 1 A 37 37 ALA H H 37 7.343 7.888 -0.545 1
1 379 . 4 1 1 A 37 37 ALA CA C 37 54.145 54.835 -0.690 1
1 380 . 4 1 1 A 37 37 ALA HA H 37 3.546 3.854 -0.308 1
1 381 . 4 1 1 A 37 37 ALA CB C 37 20.009 18.605 1.404 1
1 385 . 4 1 1 A 37 37 ALA C C 37 178.883 179.790 -0.907 1
1 386 . 4 1 1 A 38 38 TRP N N 38 117.352 118.457 -1.105 1
1 387 . 4 1 1 A 38 38 TRP H H 38 7.937 8.289 -0.352 1
1 388 . 4 1 1 A 38 38 TRP CA C 38 60.600 60.204 0.396 1
1 389 . 4 1 1 A 38 38 TRP HA H 38 4.276 4.400 -0.124 1
1 390 . 4 1 1 A 38 38 TRP CB C 38 29.693 29.184 0.509 1
1 405 . 4 1 1 A 38 38 TRP C C 38 178.664 179.125 -0.461 1
1 406 . 4 1 1 A 39 39 LYS N N 39 117.638 118.329 -0.691 1
1 407 . 4 1 1 A 39 39 LYS H H 39 8.102 8.171 -0.069 1
1 408 . 4 1 1 A 39 39 LYS CA C 39 60.009 59.172 0.837 1
1 409 . 4 1 1 A 39 39 LYS HA H 39 4.031 4.088 -0.057 1
1 410 . 4 1 1 A 39 39 LYS CB C 39 32.471 32.411 0.060 1
1 421 . 4 1 1 A 39 39 LYS C C 39 178.713 178.635 0.078 1
1 422 . 4 1 1 A 40 40 GLU N N 40 120.486 119.361 1.125 1
1 423 . 4 1 1 A 40 40 GLU H H 40 6.821 7.739 -0.918 1
1 424 . 4 1 1 A 40 40 GLU CA C 40 58.486 58.860 -0.374 1
1 425 . 4 1 1 A 40 40 GLU HA H 40 4.350 4.187 0.163 1
1 426 . 4 1 1 A 40 40 GLU CB C 40 28.459 29.280 -0.821 1
1 432 . 4 1 1 A 40 40 GLU C C 40 178.543 179.055 -0.512 1
1 433 . 4 1 1 A 41 41 LEU N N 41 119.356 120.427 -1.071 1
1 434 . 4 1 1 A 41 41 LEU H H 41 8.291 8.425 -0.134 1
1 435 . 4 1 1 A 41 41 LEU CA C 41 59.002 58.164 0.838 1
1 436 . 4 1 1 A 41 41 LEU HA H 41 3.947 4.152 -0.205 1
1 437 . 4 1 1 A 41 41 LEU CB C 41 41.914 41.312 0.602 1
1 450 . 4 1 1 A 41 41 LEU C C 41 178.106 179.466 -1.360 1
1 451 . 4 1 1 A 42 42 ASN N N 42 113.310 117.489 -4.179 1
1 452 . 4 1 1 A 42 42 ASN H H 42 8.350 8.331 0.019 1
1 453 . 4 1 1 A 42 42 ASN CA C 42 55.623 56.520 -0.897 1
1 454 . 4 1 1 A 42 42 ASN HA H 42 4.420 4.541 -0.121 1
1 455 . 4 1 1 A 42 42 ASN CB C 42 39.318 37.996 1.322 1
1 461 . 4 1 1 A 42 42 ASN C C 42 176.820 177.229 -0.409 1
1 462 . 4 1 1 A 43 43 ARG N N 43 117.734 116.974 0.760 1
1 463 . 4 1 1 A 43 43 ARG H H 43 7.578 8.184 -0.606 1
1 464 . 4 1 1 A 43 43 ARG CA C 43 58.301 56.637 1.664 1
1 465 . 4 1 1 A 43 43 ARG HA H 43 4.227 4.320 -0.093 1
1 466 . 4 1 1 A 43 43 ARG CB C 43 31.361 30.679 0.682 1
1 475 . 4 1 1 A 43 43 ARG C C 43 178.106 177.407 0.699 1
1 476 . 4 1 1 A 44 44 LYS N N 44 115.502 117.143 -1.641 1
1 477 . 4 1 1 A 44 44 LYS H H 44 7.365 7.547 -0.182 1
1 478 . 4 1 1 A 44 44 LYS CA C 44 55.367 55.764 -0.397 1
1 479 . 4 1 1 A 44 44 LYS HA H 44 4.280 4.437 -0.157 1
1 480 . 4 1 1 A 44 44 LYS CB C 44 34.289 34.016 0.273 1
1 491 . 4 1 1 A 44 44 LYS C C 44 176.504 175.708 0.796 1
1 492 . 4 1 1 A 45 45 LEU N N 45 118.486 120.218 -1.732 1
1 493 . 4 1 1 A 45 45 LEU H H 45 7.977 7.226 0.751 1
1 494 . 4 1 1 A 45 45 LEU CA C 45 53.335 53.290 0.045 1
1 495 . 4 1 1 A 45 45 LEU HA H 45 4.882 4.841 0.041 1
1 496 . 4 1 1 A 45 45 LEU CB C 45 45.307 46.149 -0.842 1
1 509 . 4 1 1 A 45 45 LEU C C 45 176.771 176.318 0.453 1
1 510 . 4 1 1 A 46 46 SER N N 46 116.809 117.915 -1.106 1
1 511 . 4 1 1 A 46 46 SER H H 46 9.074 8.726 0.348 1
1 512 . 4 1 1 A 46 46 SER CA C 46 57.981 58.934 -0.953 1
1 513 . 4 1 1 A 46 46 SER HA H 46 4.407 4.549 -0.142 1
1 514 . 4 1 1 A 46 46 SER CB C 46 64.496 63.506 0.990 1
1 517 . 4 1 1 A 46 46 SER C C 46 175.387 175.359 0.028 1
1 518 . 4 1 1 A 47 47 SER N N 47 117.511 119.931 -2.420 1
1 519 . 4 1 1 A 47 47 SER H H 47 8.955 8.978 -0.023 1
1 520 . 4 1 1 A 47 47 SER CA C 47 61.523 61.749 -0.226 1
1 521 . 4 1 1 A 47 47 SER HA H 47 4.197 4.080 0.117 1
1 522 . 4 1 1 A 47 47 SER CB C 47 62.412 62.617 -0.205 1
1 525 . 4 1 1 A 48 48 ASN H H 48 8.475 7.934 0.541 1
1 526 . 4 1 1 A 48 48 ASN CA C 48 56.327 55.965 0.362 1
1 527 . 4 1 1 A 48 48 ASN HA H 48 4.421 4.510 -0.089 1
1 528 . 4 1 1 A 48 48 ASN CB C 48 38.635 38.939 -0.304 1
1 534 . 4 1 1 A 48 48 ASN C C 48 177.232 177.262 -0.030 1
1 535 . 4 1 1 A 49 49 ALA N N 49 123.504 120.927 2.577 1
1 536 . 4 1 1 A 49 49 ALA H H 49 7.837 8.151 -0.314 1
1 537 . 4 1 1 A 49 49 ALA CA C 49 55.271 55.360 -0.089 1
1 538 . 4 1 1 A 49 49 ALA HA H 49 4.171 4.069 0.102 1
1 539 . 4 1 1 A 49 49 ALA CB C 49 19.301 18.331 0.970 1
1 543 . 4 1 1 A 49 49 ALA C C 49 179.830 180.045 -0.215 1
1 544 . 4 1 1 A 50 50 VAL N N 50 115.694 116.932 -1.238 1
1 545 . 4 1 1 A 50 50 VAL H H 50 8.069 8.532 -0.463 1
1 546 . 4 1 1 A 50 50 VAL CA C 50 65.728 64.991 0.737 1
1 547 . 4 1 1 A 50 50 VAL HA H 50 3.645 3.789 -0.144 1
1 548 . 4 1 1 A 50 50 VAL CB C 50 31.836 31.282 0.554 1
1 558 . 4 1 1 A 50 50 VAL C C 50 178.567 177.575 0.992 1
1 559 . 4 1 1 A 51 51 SER N N 51 114.048 118.486 -4.438 1
1 560 . 4 1 1 A 51 51 SER H H 51 7.849 7.960 -0.111 1
1 561 . 4 1 1 A 51 51 SER CA C 51 60.756 60.891 -0.135 1
1 562 . 4 1 1 A 51 51 SER HA H 51 4.334 4.245 0.089 1
1 563 . 4 1 1 A 51 51 SER CB C 51 63.383 63.259 0.124 1
1 565 . 4 1 1 A 51 51 SER C C 51 174.635 176.010 -1.375 1
1 566 . 4 1 1 A 52 52 GLN N N 52 118.482 117.867 0.615 1
1 567 . 4 1 1 A 52 52 GLN H H 52 7.564 7.978 -0.414 1
1 568 . 4 1 1 A 52 52 GLN CA C 52 55.306 57.386 -2.080 1
1 569 . 4 1 1 A 52 52 GLN HA H 52 4.389 4.400 -0.011 1
1 570 . 4 1 1 A 52 52 GLN CB C 52 29.217 29.049 0.168 1
1 579 . 4 1 1 A 52 52 GLN C C 52 175.315 176.724 -1.409 1
1 580 . 4 1 1 A 53 53 ILE N N 53 119.847 122.090 -2.243 1
1 581 . 4 1 1 A 53 53 ILE H H 53 7.281 7.180 0.101 1
1 582 . 4 1 1 A 53 53 ILE CA C 53 62.903 62.154 0.749 1
1 583 . 4 1 1 A 53 53 ILE HA H 53 4.417 3.848 0.569 1
1 584 . 4 1 1 A 53 53 ILE CB C 53 38.124 37.066 1.058 1
1 597 . 4 1 1 A 53 53 ILE C C 53 176.383 175.593 0.790 1
1 598 . 4 1 1 A 54 54 THR N N 54 120.582 119.859 0.723 1
1 599 . 4 1 1 A 54 54 THR H H 54 9.046 8.732 0.314 1
1 600 . 4 1 1 A 54 54 THR CA C 54 59.846 59.553 0.293 1
1 601 . 4 1 1 A 54 54 THR HA H 54 4.834 5.007 -0.173 1
1 602 . 4 1 1 A 54 54 THR CB C 54 71.904 72.001 -0.097 1
1 608 . 4 1 1 A 54 54 THR C C 54 172.135 173.213 -1.078 1
1 609 . 4 1 1 A 55 55 ARG N N 55 118.375 123.400 -5.025 1
1 610 . 4 1 1 A 55 55 ARG H H 55 8.511 8.790 -0.279 1
1 611 . 4 1 1 A 55 55 ARG CA C 55 57.312 56.821 0.491 1
1 612 . 4 1 1 A 55 55 ARG HA H 55 3.782 3.798 -0.016 1
1 613 . 4 1 1 A 55 55 ARG CB C 55 28.704 27.710 0.994 1
1 622 . 4 1 1 A 55 55 ARG C C 55 174.684 174.672 0.012 1
1 623 . 4 1 1 A 56 56 MET N N 56 118.525 117.599 0.926 1
1 624 . 4 1 1 A 56 56 MET H H 56 8.279 7.850 0.429 1
1 625 . 4 1 1 A 56 56 MET CA C 56 55.799 55.597 0.202 1
1 626 . 4 1 1 A 56 56 MET HA H 56 5.188 4.593 0.595 1
1 627 . 4 1 1 A 56 56 MET CB C 56 33.062 32.861 0.201 1
1 637 . 4 1 1 A 56 56 MET C C 56 177.572 175.015 2.557 1
1 638 . 4 1 1 A 57 57 CYS N N 57 126.541 126.474 0.067 1
1 639 . 4 1 1 A 57 57 CYS H H 57 9.340 8.636 0.704 1
1 640 . 4 1 1 A 57 57 CYS CA C 57 57.171 57.416 -0.245 1
1 641 . 4 1 1 A 57 57 CYS HA H 57 4.794 5.223 -0.429 1
1 642 . 4 1 1 A 57 57 CYS CB C 57 31.161 32.116 -0.955 1
1 645 . 4 1 1 A 57 57 CYS C C 57 173.057 173.477 -0.420 1
1 646 . 4 1 1 A 58 58 LEU N N 58 123.786 124.333 -0.547 1
1 647 . 4 1 1 A 58 58 LEU H H 58 8.682 8.314 0.368 1
1 648 . 4 1 1 A 58 58 LEU CA C 58 55.975 54.341 1.634 1
1 649 . 4 1 1 A 58 58 LEU HA H 58 4.520 4.422 0.098 1
1 650 . 4 1 1 A 58 58 LEU CB C 58 43.097 42.503 0.594 1
1 663 . 4 1 1 A 58 58 LEU C C 58 177.960 176.106 1.854 1
1 664 . 4 1 1 A 59 59 LEU N N 59 124.007 122.418 1.589 1
1 665 . 4 1 1 A 59 59 LEU H H 59 8.269 8.141 0.128 1
1 666 . 4 1 1 A 59 59 LEU CA C 59 54.156 53.274 0.882 1
1 667 . 4 1 1 A 59 59 LEU HA H 59 4.261 4.945 -0.684 1
1 668 . 4 1 1 A 59 59 LEU CB C 59 42.986 43.819 -0.833 1
1 681 . 4 1 1 A 59 59 LEU C C 59 177.645 175.844 1.801 1
1 682 . 4 1 1 A 60 60 LYS N N 60 122.593 122.312 0.281 1
1 683 . 4 1 1 A 60 60 LYS H H 60 8.458 8.567 -0.109 1
1 684 . 4 1 1 A 60 60 LYS CA C 60 58.263 58.176 0.087 1
1 685 . 4 1 1 A 60 60 LYS HA H 60 4.101 3.861 0.240 1
1 686 . 4 1 1 A 60 60 LYS CB C 60 31.732 32.120 -0.388 1
1 696 . 4 1 1 A 60 60 LYS C C 60 178.422 177.602 0.820 1
1 697 . 4 1 1 A 61 61 GLY H H 61 9.070 8.818 0.252 1
1 698 . 4 1 1 A 61 61 GLY CA C 61 45.355 45.741 -0.386 1
1 699 . 4 1 1 A 61 61 GLY HA2 H 61 3.641 3.934 -0.293 1
1 700 . 4 1 1 A 61 61 GLY HA3 H 61 4.223 3.939 0.284 1
1 701 . 4 1 1 A 61 61 GLY C C 61 173.907 174.261 -0.354 1
1 702 . 4 1 1 A 62 62 ASN N N 62 112.617 111.776 0.841 1
1 703 . 4 1 1 A 62 62 ASN H H 62 8.639 8.281 0.358 1
1 704 . 4 1 1 A 62 62 ASN CA C 62 55.115 54.335 0.780 1
1 705 . 4 1 1 A 62 62 ASN HA H 62 4.208 4.398 -0.190 1
1 706 . 4 1 1 A 62 62 ASN CB C 62 36.133 36.829 -0.696 1
1 712 . 4 1 1 A 62 62 ASN C C 62 173.810 175.357 -1.547 1
1 713 . 4 1 1 A 63 63 MET N N 63 114.254 115.866 -1.612 1
1 714 . 4 1 1 A 63 63 MET H H 63 7.967 8.307 -0.340 1
1 715 . 4 1 1 A 63 63 MET CA C 63 53.229 55.426 -2.197 1
1 716 . 4 1 1 A 63 63 MET HA H 63 4.908 4.522 0.386 1
1 717 . 4 1 1 A 63 63 MET CB C 63 29.363 33.807 -4.444 1
1 727 . 4 1 1 A 63 63 MET C C 63 175.436 175.093 0.343 1
1 728 . 4 1 1 A 64 64 GLY N N 64 102.826 106.516 -3.690 1
1 729 . 4 1 1 A 64 64 GLY H H 64 7.039 7.482 -0.443 1
1 730 . 4 1 1 A 64 64 GLY CA C 64 45.381 45.879 -0.498 1
1 731 . 4 1 1 A 64 64 GLY HA2 H 64 4.902 4.030 0.872 1
1 732 . 4 1 1 A 64 64 GLY HA3 H 64 4.026 4.038 -0.012 1
1 733 . 4 1 1 A 64 64 GLY C C 64 171.868 171.209 0.659 1
1 734 . 4 1 1 A 65 65 VAL N N 65 110.602 115.399 -4.797 1
1 735 . 4 1 1 A 65 65 VAL H H 65 8.994 8.642 0.352 1
1 736 . 4 1 1 A 65 65 VAL CA C 65 58.892 59.406 -0.514 1
1 737 . 4 1 1 A 65 65 VAL HA H 65 5.511 5.049 0.462 1
1 738 . 4 1 1 A 65 65 VAL CB C 65 36.392 36.240 0.152 1
1 748 . 4 1 1 A 65 65 VAL C C 65 174.319 174.334 -0.015 1
1 749 . 4 1 1 A 66 66 CYS N N 66 115.721 121.304 -5.583 1
1 750 . 4 1 1 A 66 66 CYS H H 66 9.175 8.916 0.259 1
1 751 . 4 1 1 A 66 66 CYS CA C 66 54.912 56.552 -1.640 1
1 752 . 4 1 1 A 66 66 CYS HA H 66 5.590 5.391 0.199 1
1 753 . 4 1 1 A 66 66 CYS CB C 66 31.672 31.072 0.600 1
1 756 . 4 1 1 A 66 66 CYS C C 66 171.941 173.414 -1.473 1
1 757 . 4 1 1 A 67 67 PHE N N 67 114.941 118.253 -3.312 1
1 758 . 4 1 1 A 67 67 PHE H H 67 8.220 8.655 -0.435 1
1 759 . 4 1 1 A 67 67 PHE CA C 67 56.468 55.915 0.553 1
1 760 . 4 1 1 A 67 67 PHE HA H 67 4.879 5.193 -0.314 1
1 761 . 4 1 1 A 67 67 PHE CB C 67 39.366 40.788 -1.422 1
1 774 . 4 1 1 A 67 67 PHE C C 67 171.552 171.915 -0.363 1
1 775 . 4 1 1 A 68 68 ASP N N 68 119.507 119.672 -0.165 1
1 776 . 4 1 1 A 68 68 ASP H H 68 9.072 9.036 0.036 1
1 777 . 4 1 1 A 68 68 ASP CA C 68 52.737 52.741 -0.004 1
1 778 . 4 1 1 A 68 68 ASP HA H 68 5.901 5.815 0.086 1
1 779 . 4 1 1 A 68 68 ASP CB C 68 42.545 44.366 -1.821 1
1 782 . 4 1 1 A 68 68 ASP C C 68 176.116 175.417 0.699 1
1 783 . 4 1 1 A 69 69 VAL N N 69 114.937 116.998 -2.061 1
1 784 . 4 1 1 A 69 69 VAL H H 69 8.819 8.950 -0.131 1
1 785 . 4 1 1 A 69 69 VAL CA C 69 58.051 57.996 0.055 1
1 786 . 4 1 1 A 69 69 VAL HA H 69 5.205 4.749 0.456 1
1 787 . 4 1 1 A 69 69 VAL CB C 69 35.698 34.910 0.788 1
1 797 . 4 1 1 A 69 69 VAL C C 69 173.154 172.742 0.412 1
1 798 . 4 1 1 A 70 70 PRO CA C 70 62.946 61.425 1.521 1
1 799 . 4 1 1 A 70 70 PRO HA H 70 4.479 3.088 1.391 1
1 800 . 4 1 1 A 70 70 PRO CB C 70 32.255 32.171 0.084 1
1 809 . 4 1 1 A 70 70 PRO C C 70 178.737 177.352 1.385 1
1 810 . 4 1 1 A 71 71 THR N N 71 119.743 116.656 3.087 1
1 811 . 4 1 1 A 71 71 THR H H 71 8.401 8.016 0.385 1
1 812 . 4 1 1 A 71 71 THR CA C 71 66.415 65.234 1.181 1
1 813 . 4 1 1 A 71 71 THR HA H 71 3.761 3.827 -0.066 1
1 814 . 4 1 1 A 71 71 THR CB C 71 68.476 68.264 0.212 1
1 820 . 4 1 1 A 71 71 THR C C 71 176.965 175.989 0.976 1
1 821 . 4 1 1 A 72 72 THR N N 72 109.724 116.357 -6.633 1
1 822 . 4 1 1 A 72 72 THR H H 72 7.747 7.969 -0.222 1
1 823 . 4 1 1 A 72 72 THR CA C 72 64.100 66.274 -2.174 1
1 824 . 4 1 1 A 72 72 THR HA H 72 4.120 3.976 0.144 1
1 825 . 4 1 1 A 72 72 THR CB C 72 68.471 68.310 0.161 1
1 831 . 4 1 1 A 72 72 THR C C 72 175.849 175.492 0.357 1
1 832 . 4 1 1 A 73 73 GLU N N 73 118.626 121.321 -2.695 1
1 833 . 4 1 1 A 73 73 GLU H H 73 7.767 7.708 0.059 1
1 834 . 4 1 1 A 73 73 GLU CA C 73 55.623 58.558 -2.935 1
1 835 . 4 1 1 A 73 73 GLU HA H 73 4.587 4.168 0.419 1
1 836 . 4 1 1 A 73 73 GLU CB C 73 30.542 29.541 1.001 1
1 842 . 4 1 1 A 73 73 GLU C C 73 177.257 178.723 -1.466 1
1 843 . 4 1 1 A 74 74 SER N N 74 114.932 115.233 -0.301 1
1 844 . 4 1 1 A 74 74 SER H H 74 7.442 7.668 -0.226 1
1 845 . 4 1 1 A 74 74 SER CA C 74 62.099 61.688 0.411 1
1 846 . 4 1 1 A 74 74 SER HA H 74 3.938 4.046 -0.108 1
1 847 . 4 1 1 A 74 74 SER CB C 74 63.067 62.989 0.078 1
1 850 . 4 1 1 A 74 74 SER C C 74 176.528 177.424 -0.896 1
1 851 . 4 1 1 A 75 75 GLU N N 75 120.907 120.573 0.334 1
1 852 . 4 1 1 A 75 75 GLU H H 75 8.350 8.170 0.180 1
1 853 . 4 1 1 A 75 75 GLU CA C 75 59.706 58.987 0.719 1
1 854 . 4 1 1 A 75 75 GLU HA H 75 4.045 4.103 -0.058 1
1 855 . 4 1 1 A 75 75 GLU CB C 75 29.085 28.994 0.091 1
1 861 . 4 1 1 A 75 75 GLU C C 75 179.320 179.372 -0.052 1
1 862 . 4 1 1 A 76 76 ARG N N 76 121.343 120.797 0.546 1
1 863 . 4 1 1 A 76 76 ARG H H 76 7.948 7.928 0.020 1
1 864 . 4 1 1 A 76 76 ARG CA C 76 59.188 59.149 0.039 1
1 865 . 4 1 1 A 76 76 ARG HA H 76 4.094 4.074 0.020 1
1 866 . 4 1 1 A 76 76 ARG CB C 76 29.726 30.467 -0.741 1
1 875 . 4 1 1 A 76 76 ARG C C 76 178.373 178.450 -0.077 1
1 876 . 4 1 1 A 77 77 LEU N N 77 120.110 119.707 0.403 1
1 877 . 4 1 1 A 77 77 LEU H H 77 8.029 8.602 -0.573 1
1 878 . 4 1 1 A 77 77 LEU CA C 77 59.809 57.898 1.911 1
1 879 . 4 1 1 A 77 77 LEU HA H 77 3.975 4.007 -0.032 1
1 880 . 4 1 1 A 77 77 LEU CB C 77 42.216 41.347 0.869 1
1 893 . 4 1 1 A 77 77 LEU C C 77 178.810 179.057 -0.247 1
1 894 . 4 1 1 A 78 78 GLN N N 78 114.090 118.100 -4.010 1
1 895 . 4 1 1 A 78 78 GLN H H 78 7.680 8.450 -0.770 1
1 896 . 4 1 1 A 78 78 GLN CA C 78 59.600 59.074 0.526 1
1 897 . 4 1 1 A 78 78 GLN HA H 78 3.915 4.044 -0.129 1
1 898 . 4 1 1 A 78 78 GLN CB C 78 30.101 28.479 1.622 1
1 907 . 4 1 1 A 78 78 GLN C C 78 178.325 178.548 -0.223 1
1 908 . 4 1 1 A 79 79 ALA N N 79 119.863 121.129 -1.266 1
1 909 . 4 1 1 A 79 79 ALA H H 79 7.900 7.682 0.218 1
1 910 . 4 1 1 A 79 79 ALA CA C 79 54.321 53.837 0.484 1
1 911 . 4 1 1 A 79 79 ALA HA H 79 4.255 4.222 0.033 1
1 912 . 4 1 1 A 79 79 ALA CB C 79 18.596 18.387 0.209 1
1 916 . 4 1 1 A 79 79 ALA C C 79 179.514 178.187 1.327 1
1 917 . 4 1 1 A 80 80 GLU N N 80 115.847 115.401 0.446 1
1 918 . 4 1 1 A 80 80 GLU H H 80 7.773 7.935 -0.162 1
1 919 . 4 1 1 A 80 80 GLU CA C 80 57.312 57.139 0.173 1
1 920 . 4 1 1 A 80 80 GLU HA H 80 4.286 4.479 -0.193 1
1 921 . 4 1 1 A 80 80 GLU CB C 80 31.095 31.223 -0.128 1
1 927 . 4 1 1 A 80 80 GLU C C 80 176.965 176.897 0.068 1
1 928 . 4 1 1 A 81 81 TRP N N 81 122.132 123.258 -1.126 1
1 929 . 4 1 1 A 81 81 TRP H H 81 7.661 7.959 -0.298 1
1 930 . 4 1 1 A 81 81 TRP CA C 81 58.641 57.785 0.856 1
1 931 . 4 1 1 A 81 81 TRP HA H 81 4.261 4.660 -0.399 1
1 932 . 4 1 1 A 81 81 TRP CB C 81 29.118 29.483 -0.365 1
1 947 . 4 1 1 A 81 81 TRP C C 81 174.611 175.574 -0.963 1
1 948 . 4 1 1 A 82 82 HIS CA C 82 54.101 54.977 -0.876 1
1 949 . 4 1 1 A 82 82 HIS HA H 82 4.727 4.612 0.115 1
1 950 . 4 1 1 A 82 82 HIS CB C 82 30.847 31.978 -1.131 1
1 957 . 4 1 1 A 83 83 ASP CA C 83 54.997 54.597 0.400 1
1 958 . 4 1 1 A 83 83 ASP HA H 83 4.342 3.817 0.525 1
1 959 . 4 1 1 A 83 83 ASP CB C 83 40.395 39.574 0.821 1
1 962 . 4 1 1 A 83 83 ASP C C 83 174.198 174.439 -0.241 1
1 963 . 4 1 1 A 84 84 SER N N 84 111.986 109.900 2.086 1
1 964 . 4 1 1 A 84 84 SER H H 84 7.863 7.372 0.491 1
1 965 . 4 1 1 A 84 84 SER CA C 84 56.714 56.085 0.629 1
1 966 . 4 1 1 A 84 84 SER HA H 84 4.584 4.758 -0.174 1
1 967 . 4 1 1 A 84 84 SER CB C 84 64.374 65.770 -1.396 1
1 970 . 4 1 1 A 84 84 SER C C 84 174.489 173.785 0.704 1
1 971 . 4 1 1 A 85 85 ASP N N 85 125.547 119.491 6.056 1
1 972 . 4 1 1 A 85 85 ASP H H 85 9.268 8.750 0.518 1
1 973 . 4 1 1 A 85 85 ASP CA C 85 55.447 53.307 2.140 1
1 974 . 4 1 1 A 85 85 ASP HA H 85 4.704 5.009 -0.305 1
1 975 . 4 1 1 A 85 85 ASP CB C 85 40.980 41.624 -0.644 1
1 978 . 4 1 1 A 85 85 ASP C C 85 177.038 175.596 1.442 1
1 979 . 4 1 1 A 86 86 TRP N N 86 121.831 119.740 2.091 1
1 980 . 4 1 1 A 86 86 TRP H H 86 9.345 7.810 1.535 1
1 981 . 4 1 1 A 86 86 TRP CA C 86 56.967 56.514 0.453 1
1 982 . 4 1 1 A 86 86 TRP HA H 86 5.091 5.649 -0.558 1
1 983 . 4 1 1 A 86 86 TRP CB C 86 29.118 33.664 -4.546 1
1 998 . 4 1 1 A 86 86 TRP C C 86 176.723 175.242 1.481 1
1 999 . 4 1 1 A 87 87 ILE N N 87 123.116 123.771 -0.655 1
1 1000 . 4 1 1 A 87 87 ILE H H 87 8.965 9.037 -0.072 1
1 1001 . 4 1 1 A 87 87 ILE CA C 87 60.595 60.280 0.315 1
1 1002 . 4 1 1 A 87 87 ILE HA H 87 4.462 4.874 -0.412 1
1 1003 . 4 1 1 A 87 87 ILE CB C 87 40.354 39.318 1.036 1
1 1016 . 4 1 1 A 87 87 ILE C C 87 175.824 174.614 1.210 1
1 1017 . 4 1 1 A 88 88 LEU N N 88 134.475 130.708 3.767 1
1 1018 . 4 1 1 A 88 88 LEU H H 88 8.736 9.110 -0.374 1
1 1019 . 4 1 1 A 88 88 LEU CA C 88 53.763 53.586 0.177 1
1 1020 . 4 1 1 A 88 88 LEU HA H 88 5.163 4.917 0.246 1
1 1021 . 4 1 1 A 88 88 LEU CB C 88 43.020 43.923 -0.903 1
1 1034 . 4 1 1 A 88 88 LEU C C 88 175.824 175.000 0.824 1
1 1035 . 4 1 1 A 89 89 SER N N 89 122.016 124.194 -2.178 1
1 1036 . 4 1 1 A 89 89 SER H H 89 9.152 8.731 0.421 1
1 1037 . 4 1 1 A 89 89 SER CA C 89 57.242 57.294 -0.052 1
1 1038 . 4 1 1 A 89 89 SER HA H 89 4.739 5.138 -0.399 1
1 1039 . 4 1 1 A 89 89 SER CB C 89 65.526 66.288 -0.762 1
1 1042 . 4 1 1 A 89 89 SER C C 89 171.989 172.315 -0.326 1
1 1043 . 4 1 1 A 90 90 VAL N N 90 119.844 126.348 -6.504 1
1 1044 . 4 1 1 A 90 90 VAL H H 90 8.220 8.997 -0.777 1
1 1045 . 4 1 1 A 90 90 VAL CA C 90 59.143 59.466 -0.323 1
1 1046 . 4 1 1 A 90 90 VAL HA H 90 4.604 4.602 0.002 1
1 1047 . 4 1 1 A 90 90 VAL CB C 90 33.056 32.860 0.196 1
1 1057 . 4 1 1 A 90 90 VAL C C 90 174.198 174.871 -0.673 1
1 1058 . 4 1 1 A 91 91 PRO CA C 91 63.467 62.367 1.100 1
1 1059 . 4 1 1 A 91 91 PRO HA H 91 4.329 4.744 -0.415 1
1 1060 . 4 1 1 A 91 91 PRO CB C 91 32.003 33.039 -1.036 1
1 1069 . 4 1 1 A 91 91 PRO C C 91 175.557 175.290 0.267 1
1 1 . 5 1 1 A 6 6 SER CA C 6 58.720 56.935 1.785 1
1 2 . 5 1 1 A 6 6 SER HA H 6 4.456 4.869 -0.413 1
1 3 . 5 1 1 A 6 6 SER CB C 6 63.880 66.088 -2.208 1
1 6 . 5 1 1 A 6 6 SER C C 6 174.951 173.624 1.327 1
1 7 . 5 1 1 A 7 7 GLY N N 7 110.558 110.038 0.520 1
1 8 . 5 1 1 A 7 7 GLY H H 7 8.377 8.602 -0.225 1
1 9 . 5 1 1 A 7 7 GLY CA C 7 45.205 46.238 -1.033 1
1 10 . 5 1 1 A 7 7 GLY HA2 H 7 3.879 4.020 -0.141 1
1 11 . 5 1 1 A 7 7 GLY HA3 H 7 3.910 4.068 -0.158 1
1 12 . 5 1 1 A 7 7 GLY C C 7 173.615 174.867 -1.252 1
1 13 . 5 1 1 A 8 8 PHE N N 8 119.857 118.910 0.947 1
1 14 . 5 1 1 A 8 8 PHE H H 8 8.062 8.015 0.047 1
1 15 . 5 1 1 A 8 8 PHE CA C 8 57.418 58.529 -1.111 1
1 16 . 5 1 1 A 8 8 PHE HA H 8 4.624 4.400 0.224 1
1 17 . 5 1 1 A 8 8 PHE CB C 8 39.749 39.711 0.038 1
1 30 . 5 1 1 A 8 8 PHE C C 8 175.242 175.584 -0.342 1
1 31 . 5 1 1 A 9 9 GLU N N 9 124.807 121.668 3.139 1
1 32 . 5 1 1 A 9 9 GLU H H 9 8.311 8.906 -0.595 1
1 33 . 5 1 1 A 9 9 GLU CA C 9 54.034 53.709 0.325 1
1 34 . 5 1 1 A 9 9 GLU HA H 9 4.546 5.019 -0.473 1
1 35 . 5 1 1 A 9 9 GLU CB C 9 29.859 30.294 -0.435 1
1 40 . 5 1 1 A 9 9 GLU C C 9 174.125 174.451 -0.326 1
1 41 . 5 1 1 A 10 10 PRO CA C 10 63.366 62.728 0.638 1
1 42 . 5 1 1 A 10 10 PRO HA H 10 4.334 4.801 -0.467 1
1 43 . 5 1 1 A 10 10 PRO CB C 10 32.033 32.334 -0.301 1
1 52 . 5 1 1 A 10 10 PRO C C 10 177.062 175.591 1.471 1
1 53 . 5 1 1 A 11 11 ARG N N 11 120.726 123.481 -2.755 1
1 54 . 5 1 1 A 11 11 ARG H H 11 8.477 8.853 -0.376 1
1 55 . 5 1 1 A 11 11 ARG CA C 11 56.175 55.358 0.817 1
1 56 . 5 1 1 A 11 11 ARG HA H 11 4.318 4.778 -0.460 1
1 57 . 5 1 1 A 11 11 ARG CB C 11 30.831 33.033 -2.202 1
1 66 . 5 1 1 A 11 11 ARG C C 11 176.455 174.554 1.901 1
1 67 . 5 1 1 A 12 12 SER N N 12 116.599 120.969 -4.370 1
1 68 . 5 1 1 A 12 12 SER H H 12 8.289 8.745 -0.456 1
1 69 . 5 1 1 A 12 12 SER CA C 12 58.330 57.320 1.010 1
1 70 . 5 1 1 A 12 12 SER HA H 12 4.396 5.060 -0.664 1
1 71 . 5 1 1 A 12 12 SER CB C 12 63.633 67.468 -3.835 1
1 74 . 5 1 1 A 12 12 SER C C 12 174.465 172.461 2.004 1
1 75 . 5 1 1 A 13 13 LEU N N 13 124.186 122.726 1.460 1
1 76 . 5 1 1 A 13 13 LEU H H 13 8.275 8.596 -0.321 1
1 77 . 5 1 1 A 13 13 LEU CA C 13 55.306 54.135 1.171 1
1 78 . 5 1 1 A 13 13 LEU HA H 13 4.361 4.960 -0.599 1
1 79 . 5 1 1 A 13 13 LEU CB C 13 42.350 45.486 -3.136 1
1 92 . 5 1 1 A 13 13 LEU C C 13 177.184 175.599 1.585 1
1 93 . 5 1 1 A 14 14 ILE N N 14 121.445 121.399 0.046 1
1 94 . 5 1 1 A 14 14 ILE H H 14 8.106 8.911 -0.805 1
1 95 . 5 1 1 A 14 14 ILE CA C 14 61.248 59.269 1.979 1
1 96 . 5 1 1 A 14 14 ILE HA H 14 4.202 4.836 -0.634 1
1 97 . 5 1 1 A 14 14 ILE CB C 14 38.555 39.056 -0.501 1
1 110 . 5 1 1 A 14 14 ILE C C 14 176.528 173.853 2.675 1
1 111 . 5 1 1 A 15 15 THR N N 15 118.053 116.034 2.019 1
1 112 . 5 1 1 A 15 15 THR H H 15 8.226 8.561 -0.335 1
1 113 . 5 1 1 A 15 15 THR CA C 15 61.573 59.733 1.840 1
1 114 . 5 1 1 A 15 15 THR HA H 15 4.401 5.108 -0.707 1
1 115 . 5 1 1 A 15 15 THR CB C 15 69.795 72.287 -2.492 1
1 121 . 5 1 1 A 15 15 THR C C 15 174.538 172.029 2.509 1
1 122 . 5 1 1 A 16 16 SER N N 16 117.877 120.516 -2.639 1
1 123 . 5 1 1 A 16 16 SER H H 16 8.272 8.869 -0.597 1
1 124 . 5 1 1 A 16 16 SER CA C 16 55.830 57.402 -1.572 1
1 125 . 5 1 1 A 16 16 SER HA H 16 4.448 5.009 -0.561 1
1 126 . 5 1 1 A 16 16 SER CB C 16 63.880 66.933 -3.053 1
1 129 . 5 1 1 A 16 16 SER C C 16 174.247 172.737 1.510 1
1 130 . 5 1 1 A 17 17 ASP N N 17 122.892 123.867 -0.975 1
1 131 . 5 1 1 A 17 17 ASP H H 17 8.425 8.615 -0.190 1
1 132 . 5 1 1 A 17 17 ASP CA C 17 54.461 54.786 -0.325 1
1 133 . 5 1 1 A 17 17 ASP HA H 17 4.611 4.753 -0.142 1
1 134 . 5 1 1 A 17 17 ASP CB C 17 41.340 41.618 -0.278 1
1 137 . 5 1 1 A 17 17 ASP C C 17 176.358 176.133 0.225 1
1 138 . 5 1 1 A 18 18 LYS N N 18 121.459 123.929 -2.470 1
1 139 . 5 1 1 A 18 18 LYS H H 18 8.349 8.904 -0.555 1
1 140 . 5 1 1 A 18 18 LYS CA C 18 56.526 56.043 0.483 1
1 141 . 5 1 1 A 18 18 LYS HA H 18 4.356 4.420 -0.064 1
1 142 . 5 1 1 A 18 18 LYS CB C 18 32.744 30.670 2.074 1
1 152 . 5 1 1 A 18 18 LYS C C 18 177.305 176.193 1.112 1
1 153 . 5 1 1 A 19 19 GLY N N 19 109.072 109.971 -0.899 1
1 154 . 5 1 1 A 19 19 GLY H H 19 8.533 8.076 0.457 1
1 155 . 5 1 1 A 19 19 GLY CA C 19 45.451 46.151 -0.700 1
1 156 . 5 1 1 A 19 19 GLY HA2 H 19 3.884 4.202 -0.318 1
1 157 . 5 1 1 A 19 19 GLY HA3 H 19 3.960 4.266 -0.306 1
1 158 . 5 1 1 A 19 19 GLY C C 19 174.028 172.179 1.849 1
1 159 . 5 1 1 A 20 20 PHE N N 20 119.395 119.847 -0.452 1
1 160 . 5 1 1 A 20 20 PHE H H 20 8.014 8.664 -0.650 1
1 161 . 5 1 1 A 20 20 PHE CA C 20 56.992 56.648 0.344 1
1 162 . 5 1 1 A 20 20 PHE HA H 20 5.166 5.454 -0.288 1
1 163 . 5 1 1 A 20 20 PHE CB C 20 43.122 43.208 -0.086 1
1 176 . 5 1 1 A 20 20 PHE C C 20 174.247 174.380 -0.133 1
1 177 . 5 1 1 A 21 21 VAL N N 21 119.613 117.804 1.809 1
1 178 . 5 1 1 A 21 21 VAL H H 21 9.282 9.004 0.278 1
1 179 . 5 1 1 A 21 21 VAL CA C 21 60.286 60.228 0.058 1
1 180 . 5 1 1 A 21 21 VAL HA H 21 4.403 4.864 -0.461 1
1 181 . 5 1 1 A 21 21 VAL CB C 21 35.624 35.959 -0.335 1
1 191 . 5 1 1 A 21 21 VAL C C 21 174.077 173.924 0.153 1
1 192 . 5 1 1 A 22 22 THR N N 22 123.150 121.987 1.163 1
1 193 . 5 1 1 A 22 22 THR H H 22 8.226 8.741 -0.515 1
1 194 . 5 1 1 A 22 22 THR CA C 22 61.672 61.584 0.088 1
1 195 . 5 1 1 A 22 22 THR HA H 22 5.214 5.156 0.058 1
1 196 . 5 1 1 A 22 22 THR CB C 22 69.636 70.832 -1.196 1
1 202 . 5 1 1 A 22 22 THR C C 22 174.319 173.784 0.535 1
1 203 . 5 1 1 A 23 23 MET N N 23 125.701 123.579 2.122 1
1 204 . 5 1 1 A 23 23 MET H H 23 9.254 8.982 0.272 1
1 205 . 5 1 1 A 23 23 MET CA C 23 54.250 53.998 0.252 1
1 206 . 5 1 1 A 23 23 MET HA H 23 4.680 5.237 -0.557 1
1 207 . 5 1 1 A 23 23 MET CB C 23 34.967 36.593 -1.626 1
1 217 . 5 1 1 A 23 23 MET C C 23 174.028 174.305 -0.277 1
1 218 . 5 1 1 A 24 24 THR N N 24 109.251 115.829 -6.578 1
1 219 . 5 1 1 A 24 24 THR H H 24 8.410 8.422 -0.012 1
1 220 . 5 1 1 A 24 24 THR CA C 24 59.952 61.417 -1.465 1
1 221 . 5 1 1 A 24 24 THR HA H 24 4.838 4.849 -0.011 1
1 222 . 5 1 1 A 24 24 THR CB C 24 71.427 71.995 -0.568 1
1 228 . 5 1 1 A 24 24 THR C C 24 172.353 172.940 -0.587 1
1 229 . 5 1 1 A 25 25 LEU N N 25 125.384 127.166 -1.782 1
1 230 . 5 1 1 A 25 25 LEU H H 25 8.901 8.847 0.054 1
1 231 . 5 1 1 A 25 25 LEU CA C 25 53.373 54.092 -0.719 1
1 232 . 5 1 1 A 25 25 LEU HA H 25 5.333 5.002 0.331 1
1 233 . 5 1 1 A 25 25 LEU CB C 25 45.607 44.950 0.657 1
1 246 . 5 1 1 A 25 25 LEU C C 25 175.606 175.403 0.203 1
1 247 . 5 1 1 A 26 26 GLU N N 26 125.482 127.129 -1.647 1
1 248 . 5 1 1 A 26 26 GLU H H 26 9.147 9.129 0.018 1
1 249 . 5 1 1 A 26 26 GLU CA C 26 56.010 55.267 0.743 1
1 250 . 5 1 1 A 26 26 GLU HA H 26 4.922 4.944 -0.022 1
1 251 . 5 1 1 A 26 26 GLU CB C 26 33.588 31.683 1.905 1
1 257 . 5 1 1 A 26 26 GLU C C 26 175.387 175.566 -0.179 1
1 258 . 5 1 1 A 27 27 SER N N 27 118.827 116.799 2.028 1
1 259 . 5 1 1 A 27 27 SER H H 27 8.432 8.423 0.009 1
1 260 . 5 1 1 A 27 27 SER CA C 27 55.236 55.556 -0.320 1
1 261 . 5 1 1 A 27 27 SER HA H 27 3.720 4.187 -0.467 1
1 262 . 5 1 1 A 27 27 SER CB C 27 63.703 65.116 -1.413 1
1 265 . 5 1 1 A 27 27 SER C C 27 173.980 174.845 -0.865 1
1 266 . 5 1 1 A 28 28 LEU N N 28 121.319 125.073 -3.754 1
1 267 . 5 1 1 A 28 28 LEU H H 28 7.990 8.293 -0.303 1
1 268 . 5 1 1 A 28 28 LEU CA C 28 55.887 55.926 -0.039 1
1 269 . 5 1 1 A 28 28 LEU HA H 28 4.071 4.163 -0.092 1
1 270 . 5 1 1 A 28 28 LEU CB C 28 42.184 42.849 -0.665 1
1 283 . 5 1 1 A 28 28 LEU C C 28 177.159 176.168 0.991 1
1 284 . 5 1 1 A 29 29 GLU N N 29 115.740 116.379 -0.639 1
1 285 . 5 1 1 A 29 29 GLU H H 29 7.458 7.103 0.355 1
1 286 . 5 1 1 A 29 29 GLU CA C 29 53.658 54.566 -0.908 1
1 287 . 5 1 1 A 29 29 GLU HA H 29 4.444 4.716 -0.272 1
1 288 . 5 1 1 A 29 29 GLU CB C 29 33.209 34.448 -1.239 1
1 294 . 5 1 1 A 29 29 GLU C C 29 174.417 175.338 -0.921 1
1 295 . 5 1 1 A 30 30 GLU N N 30 122.052 121.857 0.195 1
1 296 . 5 1 1 A 30 30 GLU H H 30 8.500 8.474 0.026 1
1 297 . 5 1 1 A 30 30 GLU CA C 30 57.621 57.394 0.227 1
1 298 . 5 1 1 A 30 30 GLU HA H 30 4.297 4.235 0.062 1
1 299 . 5 1 1 A 30 30 GLU CB C 30 30.403 30.540 -0.137 1
1 305 . 5 1 1 A 30 30 GLU C C 30 177.087 176.240 0.847 1
1 306 . 5 1 1 A 31 31 ILE N N 31 120.377 121.518 -1.141 1
1 307 . 5 1 1 A 31 31 ILE H H 31 8.828 8.417 0.411 1
1 308 . 5 1 1 A 31 31 ILE CA C 31 59.741 58.596 1.145 1
1 309 . 5 1 1 A 31 31 ILE HA H 31 4.680 4.779 -0.099 1
1 310 . 5 1 1 A 31 31 ILE CB C 31 40.845 40.846 -0.001 1
1 323 . 5 1 1 A 31 31 ILE C C 31 175.776 176.663 -0.887 1
1 324 . 5 1 1 A 32 32 GLN N N 32 119.444 121.125 -1.681 1
1 325 . 5 1 1 A 32 32 GLN H H 32 8.668 8.634 0.034 1
1 326 . 5 1 1 A 32 32 GLN CA C 32 57.277 57.927 -0.650 1
1 327 . 5 1 1 A 32 32 GLN HA H 32 4.302 4.304 -0.002 1
1 328 . 5 1 1 A 32 32 GLN CB C 32 30.079 29.858 0.221 1
1 337 . 5 1 1 A 32 32 GLN C C 32 175.824 175.818 0.006 1
1 338 . 5 1 1 A 33 33 ASP N N 33 113.908 117.021 -3.113 1
1 339 . 5 1 1 A 33 33 ASP H H 33 7.684 7.890 -0.206 1
1 340 . 5 1 1 A 33 33 ASP CA C 33 53.441 52.626 0.815 1
1 341 . 5 1 1 A 33 33 ASP HA H 33 4.754 5.153 -0.399 1
1 342 . 5 1 1 A 33 33 ASP CB C 33 43.727 45.000 -1.273 1
1 345 . 5 1 1 A 33 33 ASP C C 33 175.824 176.699 -0.875 1
1 346 . 5 1 1 A 34 34 VAL N N 34 114.196 121.591 -7.395 1
1 347 . 5 1 1 A 34 34 VAL H H 34 8.640 8.772 -0.132 1
1 348 . 5 1 1 A 34 34 VAL CA C 34 64.836 64.640 0.196 1
1 349 . 5 1 1 A 34 34 VAL HA H 34 3.910 3.991 -0.081 1
1 350 . 5 1 1 A 34 34 VAL CB C 34 31.539 31.716 -0.177 1
1 360 . 5 1 1 A 34 34 VAL C C 34 177.669 177.744 -0.075 1
1 361 . 5 1 1 A 35 35 SER N N 35 120.001 117.485 2.516 1
1 362 . 5 1 1 A 35 35 SER H H 35 9.274 8.322 0.952 1
1 363 . 5 1 1 A 35 35 SER CA C 35 62.276 61.758 0.518 1
1 364 . 5 1 1 A 35 35 SER HA H 35 4.448 4.256 0.192 1
1 365 . 5 1 1 A 35 35 SER CB C 35 62.255 63.047 -0.792 1
1 368 . 5 1 1 A 35 35 SER C C 35 177.305 177.303 0.002 1
1 369 . 5 1 1 A 36 36 CYS N N 36 120.840 119.332 1.508 1
1 370 . 5 1 1 A 36 36 CYS H H 36 7.894 7.909 -0.015 1
1 371 . 5 1 1 A 36 36 CYS CA C 36 62.416 62.875 -0.459 1
1 372 . 5 1 1 A 36 36 CYS HA H 36 4.310 4.296 0.014 1
1 373 . 5 1 1 A 36 36 CYS CB C 36 28.189 26.362 1.827 1
1 376 . 5 1 1 A 36 36 CYS C C 36 177.257 176.934 0.323 1
1 377 . 5 1 1 A 37 37 ALA N N 37 122.247 121.742 0.505 1
1 378 . 5 1 1 A 37 37 ALA H H 37 7.343 7.989 -0.646 1
1 379 . 5 1 1 A 37 37 ALA CA C 37 54.145 54.907 -0.762 1
1 380 . 5 1 1 A 37 37 ALA HA H 37 3.546 3.652 -0.106 1
1 381 . 5 1 1 A 37 37 ALA CB C 37 20.009 18.408 1.601 1
1 385 . 5 1 1 A 37 37 ALA C C 37 178.883 179.967 -1.084 1
1 386 . 5 1 1 A 38 38 TRP N N 38 117.352 118.864 -1.512 1
1 387 . 5 1 1 A 38 38 TRP H H 38 7.937 8.624 -0.687 1
1 388 . 5 1 1 A 38 38 TRP CA C 38 60.600 59.849 0.751 1
1 389 . 5 1 1 A 38 38 TRP HA H 38 4.276 4.419 -0.143 1
1 390 . 5 1 1 A 38 38 TRP CB C 38 29.693 28.995 0.698 1
1 405 . 5 1 1 A 38 38 TRP C C 38 178.664 179.282 -0.618 1
1 406 . 5 1 1 A 39 39 LYS N N 39 117.638 118.651 -1.013 1
1 407 . 5 1 1 A 39 39 LYS H H 39 8.102 8.506 -0.404 1
1 408 . 5 1 1 A 39 39 LYS CA C 39 60.009 59.539 0.470 1
1 409 . 5 1 1 A 39 39 LYS HA H 39 4.031 4.011 0.020 1
1 410 . 5 1 1 A 39 39 LYS CB C 39 32.471 32.042 0.429 1
1 421 . 5 1 1 A 39 39 LYS C C 39 178.713 179.435 -0.722 1
1 422 . 5 1 1 A 40 40 GLU N N 40 120.486 119.931 0.555 1
1 423 . 5 1 1 A 40 40 GLU H H 40 6.821 8.018 -1.197 1
1 424 . 5 1 1 A 40 40 GLU CA C 40 58.486 58.830 -0.344 1
1 425 . 5 1 1 A 40 40 GLU HA H 40 4.350 4.217 0.133 1
1 426 . 5 1 1 A 40 40 GLU CB C 40 28.459 29.373 -0.914 1
1 432 . 5 1 1 A 40 40 GLU C C 40 178.543 179.201 -0.658 1
1 433 . 5 1 1 A 41 41 LEU N N 41 119.356 120.478 -1.122 1
1 434 . 5 1 1 A 41 41 LEU H H 41 8.291 8.769 -0.478 1
1 435 . 5 1 1 A 41 41 LEU CA C 41 59.002 58.025 0.977 1
1 436 . 5 1 1 A 41 41 LEU HA H 41 3.947 4.175 -0.228 1
1 437 . 5 1 1 A 41 41 LEU CB C 41 41.914 41.464 0.450 1
1 450 . 5 1 1 A 41 41 LEU C C 41 178.106 179.070 -0.964 1
1 451 . 5 1 1 A 42 42 ASN N N 42 113.310 116.275 -2.965 1
1 452 . 5 1 1 A 42 42 ASN H H 42 8.350 8.302 0.048 1
1 453 . 5 1 1 A 42 42 ASN CA C 42 55.623 55.912 -0.289 1
1 454 . 5 1 1 A 42 42 ASN HA H 42 4.420 4.636 -0.216 1
1 455 . 5 1 1 A 42 42 ASN CB C 42 39.318 38.410 0.908 1
1 461 . 5 1 1 A 42 42 ASN C C 42 176.820 176.585 0.235 1
1 462 . 5 1 1 A 43 43 ARG N N 43 117.734 117.911 -0.177 1
1 463 . 5 1 1 A 43 43 ARG H H 43 7.578 8.063 -0.485 1
1 464 . 5 1 1 A 43 43 ARG CA C 43 58.301 56.442 1.859 1
1 465 . 5 1 1 A 43 43 ARG HA H 43 4.227 4.398 -0.171 1
1 466 . 5 1 1 A 43 43 ARG CB C 43 31.361 30.775 0.586 1
1 475 . 5 1 1 A 43 43 ARG C C 43 178.106 177.399 0.707 1
1 476 . 5 1 1 A 44 44 LYS N N 44 115.502 117.389 -1.887 1
1 477 . 5 1 1 A 44 44 LYS H H 44 7.365 7.568 -0.203 1
1 478 . 5 1 1 A 44 44 LYS CA C 44 55.367 55.730 -0.363 1
1 479 . 5 1 1 A 44 44 LYS HA H 44 4.280 4.461 -0.181 1
1 480 . 5 1 1 A 44 44 LYS CB C 44 34.289 34.489 -0.200 1
1 491 . 5 1 1 A 44 44 LYS C C 44 176.504 175.894 0.610 1
1 492 . 5 1 1 A 45 45 LEU N N 45 118.486 120.400 -1.914 1
1 493 . 5 1 1 A 45 45 LEU H H 45 7.977 7.533 0.444 1
1 494 . 5 1 1 A 45 45 LEU CA C 45 53.335 53.238 0.097 1
1 495 . 5 1 1 A 45 45 LEU HA H 45 4.882 4.871 0.011 1
1 496 . 5 1 1 A 45 45 LEU CB C 45 45.307 45.540 -0.233 1
1 509 . 5 1 1 A 45 45 LEU C C 45 176.771 175.602 1.169 1
1 510 . 5 1 1 A 46 46 SER N N 46 116.809 117.699 -0.890 1
1 511 . 5 1 1 A 46 46 SER H H 46 9.074 8.877 0.197 1
1 512 . 5 1 1 A 46 46 SER CA C 46 57.981 57.909 0.072 1
1 513 . 5 1 1 A 46 46 SER HA H 46 4.407 4.655 -0.248 1
1 514 . 5 1 1 A 46 46 SER CB C 46 64.496 64.288 0.208 1
1 517 . 5 1 1 A 46 46 SER C C 46 175.387 175.541 -0.154 1
1 518 . 5 1 1 A 47 47 SER N N 47 117.511 119.602 -2.091 1
1 519 . 5 1 1 A 47 47 SER H H 47 8.955 9.122 -0.167 1
1 520 . 5 1 1 A 47 47 SER CA C 47 61.523 61.923 -0.400 1
1 521 . 5 1 1 A 47 47 SER HA H 47 4.197 4.139 0.058 1
1 522 . 5 1 1 A 47 47 SER CB C 47 62.412 62.924 -0.512 1
1 525 . 5 1 1 A 48 48 ASN H H 48 8.475 8.175 0.300 1
1 526 . 5 1 1 A 48 48 ASN CA C 48 56.327 55.475 0.852 1
1 527 . 5 1 1 A 48 48 ASN HA H 48 4.421 4.627 -0.206 1
1 528 . 5 1 1 A 48 48 ASN CB C 48 38.635 38.220 0.415 1
1 534 . 5 1 1 A 48 48 ASN C C 48 177.232 176.975 0.257 1
1 535 . 5 1 1 A 49 49 ALA N N 49 123.504 122.321 1.183 1
1 536 . 5 1 1 A 49 49 ALA H H 49 7.837 7.742 0.095 1
1 537 . 5 1 1 A 49 49 ALA CA C 49 55.271 54.357 0.914 1
1 538 . 5 1 1 A 49 49 ALA HA H 49 4.171 4.343 -0.172 1
1 539 . 5 1 1 A 49 49 ALA CB C 49 19.301 19.195 0.106 1
1 543 . 5 1 1 A 49 49 ALA C C 49 179.830 179.409 0.421 1
1 544 . 5 1 1 A 50 50 VAL N N 50 115.694 117.878 -2.184 1
1 545 . 5 1 1 A 50 50 VAL H H 50 8.069 8.410 -0.341 1
1 546 . 5 1 1 A 50 50 VAL CA C 50 65.728 64.841 0.887 1
1 547 . 5 1 1 A 50 50 VAL HA H 50 3.645 3.779 -0.134 1
1 548 . 5 1 1 A 50 50 VAL CB C 50 31.836 31.371 0.465 1
1 558 . 5 1 1 A 50 50 VAL C C 50 178.567 177.601 0.966 1
1 559 . 5 1 1 A 51 51 SER N N 51 114.048 117.183 -3.135 1
1 560 . 5 1 1 A 51 51 SER H H 51 7.849 7.695 0.154 1
1 561 . 5 1 1 A 51 51 SER CA C 51 60.756 61.127 -0.371 1
1 562 . 5 1 1 A 51 51 SER HA H 51 4.334 4.152 0.182 1
1 563 . 5 1 1 A 51 51 SER CB C 51 63.383 63.202 0.181 1
1 565 . 5 1 1 A 51 51 SER C C 51 174.635 176.846 -2.211 1
1 566 . 5 1 1 A 52 52 GLN N N 52 118.482 117.326 1.156 1
1 567 . 5 1 1 A 52 52 GLN H H 52 7.564 7.983 -0.419 1
1 568 . 5 1 1 A 52 52 GLN CA C 52 55.306 57.915 -2.609 1
1 569 . 5 1 1 A 52 52 GLN HA H 52 4.389 4.360 0.029 1
1 570 . 5 1 1 A 52 52 GLN CB C 52 29.217 29.171 0.046 1
1 579 . 5 1 1 A 52 52 GLN C C 52 175.315 177.048 -1.733 1
1 580 . 5 1 1 A 53 53 ILE N N 53 119.847 121.968 -2.121 1
1 581 . 5 1 1 A 53 53 ILE H H 53 7.281 7.265 0.016 1
1 582 . 5 1 1 A 53 53 ILE CA C 53 62.903 62.235 0.668 1
1 583 . 5 1 1 A 53 53 ILE HA H 53 4.417 3.862 0.555 1
1 584 . 5 1 1 A 53 53 ILE CB C 53 38.124 37.087 1.037 1
1 597 . 5 1 1 A 53 53 ILE C C 53 176.383 175.663 0.720 1
1 598 . 5 1 1 A 54 54 THR N N 54 120.582 120.593 -0.011 1
1 599 . 5 1 1 A 54 54 THR H H 54 9.046 8.812 0.234 1
1 600 . 5 1 1 A 54 54 THR CA C 54 59.846 59.574 0.272 1
1 601 . 5 1 1 A 54 54 THR HA H 54 4.834 4.989 -0.155 1
1 602 . 5 1 1 A 54 54 THR CB C 54 71.904 71.995 -0.091 1
1 608 . 5 1 1 A 54 54 THR C C 54 172.135 173.191 -1.056 1
1 609 . 5 1 1 A 55 55 ARG N N 55 118.375 123.477 -5.102 1
1 610 . 5 1 1 A 55 55 ARG H H 55 8.511 8.807 -0.296 1
1 611 . 5 1 1 A 55 55 ARG CA C 55 57.312 56.800 0.512 1
1 612 . 5 1 1 A 55 55 ARG HA H 55 3.782 3.770 0.012 1
1 613 . 5 1 1 A 55 55 ARG CB C 55 28.704 27.872 0.832 1
1 622 . 5 1 1 A 55 55 ARG C C 55 174.684 174.835 -0.151 1
1 623 . 5 1 1 A 56 56 MET N N 56 118.525 117.124 1.401 1
1 624 . 5 1 1 A 56 56 MET H H 56 8.279 7.948 0.331 1
1 625 . 5 1 1 A 56 56 MET CA C 56 55.799 55.984 -0.185 1
1 626 . 5 1 1 A 56 56 MET HA H 56 5.188 4.862 0.326 1
1 627 . 5 1 1 A 56 56 MET CB C 56 33.062 33.535 -0.473 1
1 637 . 5 1 1 A 56 56 MET C C 56 177.572 175.613 1.959 1
1 638 . 5 1 1 A 57 57 CYS N N 57 126.541 126.225 0.316 1
1 639 . 5 1 1 A 57 57 CYS H H 57 9.340 9.072 0.268 1
1 640 . 5 1 1 A 57 57 CYS CA C 57 57.171 57.913 -0.742 1
1 641 . 5 1 1 A 57 57 CYS HA H 57 4.794 5.218 -0.424 1
1 642 . 5 1 1 A 57 57 CYS CB C 57 31.161 32.575 -1.414 1
1 645 . 5 1 1 A 57 57 CYS C C 57 173.057 173.176 -0.119 1
1 646 . 5 1 1 A 58 58 LEU N N 58 123.786 123.974 -0.188 1
1 647 . 5 1 1 A 58 58 LEU H H 58 8.682 8.741 -0.059 1
1 648 . 5 1 1 A 58 58 LEU CA C 58 55.975 53.828 2.147 1
1 649 . 5 1 1 A 58 58 LEU HA H 58 4.520 4.767 -0.247 1
1 650 . 5 1 1 A 58 58 LEU CB C 58 43.097 43.044 0.053 1
1 663 . 5 1 1 A 58 58 LEU C C 58 177.960 176.954 1.006 1
1 664 . 5 1 1 A 59 59 LEU N N 59 124.007 124.097 -0.090 1
1 665 . 5 1 1 A 59 59 LEU H H 59 8.269 8.836 -0.567 1
1 666 . 5 1 1 A 59 59 LEU CA C 59 54.156 53.812 0.344 1
1 667 . 5 1 1 A 59 59 LEU HA H 59 4.261 4.637 -0.376 1
1 668 . 5 1 1 A 59 59 LEU CB C 59 42.986 42.334 0.652 1
1 681 . 5 1 1 A 59 59 LEU C C 59 177.645 177.343 0.302 1
1 682 . 5 1 1 A 60 60 LYS N N 60 122.593 121.610 0.983 1
1 683 . 5 1 1 A 60 60 LYS H H 60 8.458 8.624 -0.166 1
1 684 . 5 1 1 A 60 60 LYS CA C 60 58.263 58.151 0.112 1
1 685 . 5 1 1 A 60 60 LYS HA H 60 4.101 3.933 0.168 1
1 686 . 5 1 1 A 60 60 LYS CB C 60 31.732 32.787 -1.055 1
1 696 . 5 1 1 A 60 60 LYS C C 60 178.422 177.568 0.854 1
1 697 . 5 1 1 A 61 61 GLY H H 61 9.070 8.913 0.157 1
1 698 . 5 1 1 A 61 61 GLY CA C 61 45.355 46.076 -0.721 1
1 699 . 5 1 1 A 61 61 GLY HA2 H 61 3.641 3.895 -0.254 1
1 700 . 5 1 1 A 61 61 GLY HA3 H 61 4.223 3.898 0.325 1
1 701 . 5 1 1 A 61 61 GLY C C 61 173.907 174.151 -0.244 1
1 702 . 5 1 1 A 62 62 ASN N N 62 112.617 111.706 0.911 1
1 703 . 5 1 1 A 62 62 ASN H H 62 8.639 8.097 0.542 1
1 704 . 5 1 1 A 62 62 ASN CA C 62 55.115 54.555 0.560 1
1 705 . 5 1 1 A 62 62 ASN HA H 62 4.208 4.427 -0.219 1
1 706 . 5 1 1 A 62 62 ASN CB C 62 36.133 36.949 -0.816 1
1 712 . 5 1 1 A 62 62 ASN C C 62 173.810 175.054 -1.244 1
1 713 . 5 1 1 A 63 63 MET N N 63 114.254 116.732 -2.478 1
1 714 . 5 1 1 A 63 63 MET H H 63 7.967 7.874 0.093 1
1 715 . 5 1 1 A 63 63 MET CA C 63 53.229 56.276 -3.047 1
1 716 . 5 1 1 A 63 63 MET HA H 63 4.908 4.360 0.548 1
1 717 . 5 1 1 A 63 63 MET CB C 63 29.363 32.193 -2.830 1
1 727 . 5 1 1 A 63 63 MET C C 63 175.436 175.846 -0.410 1
1 728 . 5 1 1 A 64 64 GLY N N 64 102.826 105.231 -2.405 1
1 729 . 5 1 1 A 64 64 GLY H H 64 7.039 7.443 -0.404 1
1 730 . 5 1 1 A 64 64 GLY CA C 64 45.381 46.024 -0.643 1
1 731 . 5 1 1 A 64 64 GLY HA2 H 64 4.902 4.079 0.823 1
1 732 . 5 1 1 A 64 64 GLY HA3 H 64 4.026 4.133 -0.107 1
1 733 . 5 1 1 A 64 64 GLY C C 64 171.868 171.153 0.715 1
1 734 . 5 1 1 A 65 65 VAL N N 65 110.602 115.417 -4.815 1
1 735 . 5 1 1 A 65 65 VAL H H 65 8.994 8.743 0.251 1
1 736 . 5 1 1 A 65 65 VAL CA C 65 58.892 58.998 -0.106 1
1 737 . 5 1 1 A 65 65 VAL HA H 65 5.511 5.107 0.404 1
1 738 . 5 1 1 A 65 65 VAL CB C 65 36.392 35.927 0.465 1
1 748 . 5 1 1 A 65 65 VAL C C 65 174.319 174.236 0.083 1
1 749 . 5 1 1 A 66 66 CYS N N 66 115.721 120.823 -5.102 1
1 750 . 5 1 1 A 66 66 CYS H H 66 9.175 9.039 0.136 1
1 751 . 5 1 1 A 66 66 CYS CA C 66 54.912 56.496 -1.584 1
1 752 . 5 1 1 A 66 66 CYS HA H 66 5.590 5.372 0.218 1
1 753 . 5 1 1 A 66 66 CYS CB C 66 31.672 31.328 0.344 1
1 756 . 5 1 1 A 66 66 CYS C C 66 171.941 173.293 -1.352 1
1 757 . 5 1 1 A 67 67 PHE N N 67 114.941 118.201 -3.260 1
1 758 . 5 1 1 A 67 67 PHE H H 67 8.220 8.327 -0.107 1
1 759 . 5 1 1 A 67 67 PHE CA C 67 56.468 55.876 0.592 1
1 760 . 5 1 1 A 67 67 PHE HA H 67 4.879 5.192 -0.313 1
1 761 . 5 1 1 A 67 67 PHE CB C 67 39.366 40.805 -1.439 1
1 774 . 5 1 1 A 67 67 PHE C C 67 171.552 171.932 -0.380 1
1 775 . 5 1 1 A 68 68 ASP N N 68 119.507 119.649 -0.142 1
1 776 . 5 1 1 A 68 68 ASP H H 68 9.072 8.944 0.128 1
1 777 . 5 1 1 A 68 68 ASP CA C 68 52.737 52.955 -0.218 1
1 778 . 5 1 1 A 68 68 ASP HA H 68 5.901 5.848 0.053 1
1 779 . 5 1 1 A 68 68 ASP CB C 68 42.545 44.316 -1.771 1
1 782 . 5 1 1 A 68 68 ASP C C 68 176.116 175.667 0.449 1
1 783 . 5 1 1 A 69 69 VAL N N 69 114.937 117.111 -2.174 1
1 784 . 5 1 1 A 69 69 VAL H H 69 8.819 8.981 -0.162 1
1 785 . 5 1 1 A 69 69 VAL CA C 69 58.051 58.129 -0.078 1
1 786 . 5 1 1 A 69 69 VAL HA H 69 5.205 4.973 0.232 1
1 787 . 5 1 1 A 69 69 VAL CB C 69 35.698 34.992 0.706 1
1 797 . 5 1 1 A 69 69 VAL C C 69 173.154 173.002 0.152 1
1 798 . 5 1 1 A 70 70 PRO CA C 70 62.946 61.319 1.627 1
1 799 . 5 1 1 A 70 70 PRO HA H 70 4.479 3.400 1.079 1
1 800 . 5 1 1 A 70 70 PRO CB C 70 32.255 32.126 0.129 1
1 809 . 5 1 1 A 70 70 PRO C C 70 178.737 177.502 1.235 1
1 810 . 5 1 1 A 71 71 THR N N 71 119.743 117.099 2.644 1
1 811 . 5 1 1 A 71 71 THR H H 71 8.401 8.257 0.144 1
1 812 . 5 1 1 A 71 71 THR CA C 71 66.415 65.273 1.142 1
1 813 . 5 1 1 A 71 71 THR HA H 71 3.761 3.837 -0.076 1
1 814 . 5 1 1 A 71 71 THR CB C 71 68.476 68.125 0.351 1
1 820 . 5 1 1 A 71 71 THR C C 71 176.965 175.949 1.016 1
1 821 . 5 1 1 A 72 72 THR N N 72 109.724 116.372 -6.648 1
1 822 . 5 1 1 A 72 72 THR H H 72 7.747 7.903 -0.156 1
1 823 . 5 1 1 A 72 72 THR CA C 72 64.100 66.756 -2.656 1
1 824 . 5 1 1 A 72 72 THR HA H 72 4.120 3.954 0.166 1
1 825 . 5 1 1 A 72 72 THR CB C 72 68.471 68.730 -0.259 1
1 831 . 5 1 1 A 72 72 THR C C 72 175.849 176.139 -0.290 1
1 832 . 5 1 1 A 73 73 GLU N N 73 118.626 119.561 -0.935 1
1 833 . 5 1 1 A 73 73 GLU H H 73 7.767 7.787 -0.020 1
1 834 . 5 1 1 A 73 73 GLU CA C 73 55.623 58.087 -2.464 1
1 835 . 5 1 1 A 73 73 GLU HA H 73 4.587 4.295 0.292 1
1 836 . 5 1 1 A 73 73 GLU CB C 73 30.542 29.931 0.611 1
1 842 . 5 1 1 A 73 73 GLU C C 73 177.257 178.425 -1.168 1
1 843 . 5 1 1 A 74 74 SER N N 74 114.932 116.146 -1.214 1
1 844 . 5 1 1 A 74 74 SER H H 74 7.442 7.959 -0.517 1
1 845 . 5 1 1 A 74 74 SER CA C 74 62.099 61.469 0.630 1
1 846 . 5 1 1 A 74 74 SER HA H 74 3.938 4.056 -0.118 1
1 847 . 5 1 1 A 74 74 SER CB C 74 63.067 62.900 0.167 1
1 850 . 5 1 1 A 74 74 SER C C 74 176.528 177.173 -0.645 1
1 851 . 5 1 1 A 75 75 GLU N N 75 120.907 121.739 -0.832 1
1 852 . 5 1 1 A 75 75 GLU H H 75 8.350 8.023 0.327 1
1 853 . 5 1 1 A 75 75 GLU CA C 75 59.706 58.707 0.999 1
1 854 . 5 1 1 A 75 75 GLU HA H 75 4.045 4.174 -0.129 1
1 855 . 5 1 1 A 75 75 GLU CB C 75 29.085 29.122 -0.037 1
1 861 . 5 1 1 A 75 75 GLU C C 75 179.320 178.054 1.266 1
1 862 . 5 1 1 A 76 76 ARG N N 76 121.343 119.023 2.320 1
1 863 . 5 1 1 A 76 76 ARG H H 76 7.948 7.921 0.027 1
1 864 . 5 1 1 A 76 76 ARG CA C 76 59.188 58.063 1.125 1
1 865 . 5 1 1 A 76 76 ARG HA H 76 4.094 4.305 -0.211 1
1 866 . 5 1 1 A 76 76 ARG CB C 76 29.726 30.808 -1.082 1
1 875 . 5 1 1 A 76 76 ARG C C 76 178.373 178.428 -0.055 1
1 876 . 5 1 1 A 77 77 LEU N N 77 120.110 120.302 -0.192 1
1 877 . 5 1 1 A 77 77 LEU H H 77 8.029 8.371 -0.342 1
1 878 . 5 1 1 A 77 77 LEU CA C 77 59.809 58.149 1.660 1
1 879 . 5 1 1 A 77 77 LEU HA H 77 3.975 3.986 -0.011 1
1 880 . 5 1 1 A 77 77 LEU CB C 77 42.216 41.509 0.707 1
1 893 . 5 1 1 A 77 77 LEU C C 77 178.810 179.109 -0.299 1
1 894 . 5 1 1 A 78 78 GLN N N 78 114.090 116.065 -1.975 1
1 895 . 5 1 1 A 78 78 GLN H H 78 7.680 7.631 0.049 1
1 896 . 5 1 1 A 78 78 GLN CA C 78 59.600 57.869 1.731 1
1 897 . 5 1 1 A 78 78 GLN HA H 78 3.915 4.204 -0.289 1
1 898 . 5 1 1 A 78 78 GLN CB C 78 30.101 28.845 1.256 1
1 907 . 5 1 1 A 78 78 GLN C C 78 178.325 177.034 1.291 1
1 908 . 5 1 1 A 79 79 ALA N N 79 119.863 122.280 -2.417 1
1 909 . 5 1 1 A 79 79 ALA H H 79 7.900 7.906 -0.006 1
1 910 . 5 1 1 A 79 79 ALA CA C 79 54.321 53.922 0.399 1
1 911 . 5 1 1 A 79 79 ALA HA H 79 4.255 4.381 -0.126 1
1 912 . 5 1 1 A 79 79 ALA CB C 79 18.596 19.505 -0.909 1
1 916 . 5 1 1 A 79 79 ALA C C 79 179.514 179.472 0.042 1
1 917 . 5 1 1 A 80 80 GLU N N 80 115.847 118.056 -2.209 1
1 918 . 5 1 1 A 80 80 GLU H H 80 7.773 8.282 -0.509 1
1 919 . 5 1 1 A 80 80 GLU CA C 80 57.312 58.574 -1.262 1
1 920 . 5 1 1 A 80 80 GLU HA H 80 4.286 4.301 -0.015 1
1 921 . 5 1 1 A 80 80 GLU CB C 80 31.095 30.084 1.011 1
1 927 . 5 1 1 A 80 80 GLU C C 80 176.965 177.634 -0.669 1
1 928 . 5 1 1 A 81 81 TRP N N 81 122.132 122.718 -0.586 1
1 929 . 5 1 1 A 81 81 TRP H H 81 7.661 7.514 0.147 1
1 930 . 5 1 1 A 81 81 TRP CA C 81 58.641 57.301 1.340 1
1 931 . 5 1 1 A 81 81 TRP HA H 81 4.261 4.619 -0.358 1
1 932 . 5 1 1 A 81 81 TRP CB C 81 29.118 29.150 -0.032 1
1 947 . 5 1 1 A 81 81 TRP C C 81 174.611 175.388 -0.777 1
1 948 . 5 1 1 A 82 82 HIS CA C 82 54.101 54.476 -0.375 1
1 949 . 5 1 1 A 82 82 HIS HA H 82 4.727 4.888 -0.161 1
1 950 . 5 1 1 A 82 82 HIS CB C 82 30.847 33.922 -3.075 1
1 957 . 5 1 1 A 83 83 ASP CA C 83 54.997 54.793 0.204 1
1 958 . 5 1 1 A 83 83 ASP HA H 83 4.342 4.088 0.254 1
1 959 . 5 1 1 A 83 83 ASP CB C 83 40.395 39.439 0.956 1
1 962 . 5 1 1 A 83 83 ASP C C 83 174.198 174.607 -0.409 1
1 963 . 5 1 1 A 84 84 SER N N 84 111.986 110.028 1.958 1
1 964 . 5 1 1 A 84 84 SER H H 84 7.863 7.483 0.380 1
1 965 . 5 1 1 A 84 84 SER CA C 84 56.714 56.263 0.451 1
1 966 . 5 1 1 A 84 84 SER HA H 84 4.584 4.843 -0.259 1
1 967 . 5 1 1 A 84 84 SER CB C 84 64.374 65.806 -1.432 1
1 970 . 5 1 1 A 84 84 SER C C 84 174.489 173.639 0.850 1
1 971 . 5 1 1 A 85 85 ASP N N 85 125.547 122.714 2.833 1
1 972 . 5 1 1 A 85 85 ASP H H 85 9.268 8.649 0.619 1
1 973 . 5 1 1 A 85 85 ASP CA C 85 55.447 55.002 0.445 1
1 974 . 5 1 1 A 85 85 ASP HA H 85 4.704 4.911 -0.207 1
1 975 . 5 1 1 A 85 85 ASP CB C 85 40.980 41.495 -0.515 1
1 978 . 5 1 1 A 85 85 ASP C C 85 177.038 174.530 2.508 1
1 979 . 5 1 1 A 86 86 TRP N N 86 121.831 119.881 1.950 1
1 980 . 5 1 1 A 86 86 TRP H H 86 9.345 7.870 1.475 1
1 981 . 5 1 1 A 86 86 TRP CA C 86 56.967 55.243 1.724 1
1 982 . 5 1 1 A 86 86 TRP HA H 86 5.091 5.400 -0.309 1
1 983 . 5 1 1 A 86 86 TRP CB C 86 29.118 31.977 -2.859 1
1 998 . 5 1 1 A 86 86 TRP C C 86 176.723 176.150 0.573 1
1 999 . 5 1 1 A 87 87 ILE N N 87 123.116 125.502 -2.386 1
1 1000 . 5 1 1 A 87 87 ILE H H 87 8.965 8.969 -0.004 1
1 1001 . 5 1 1 A 87 87 ILE CA C 87 60.595 62.430 -1.835 1
1 1002 . 5 1 1 A 87 87 ILE HA H 87 4.462 4.496 -0.034 1
1 1003 . 5 1 1 A 87 87 ILE CB C 87 40.354 37.642 2.712 1
1 1016 . 5 1 1 A 87 87 ILE C C 87 175.824 175.197 0.627 1
1 1017 . 5 1 1 A 88 88 LEU N N 88 134.475 130.902 3.573 1
1 1018 . 5 1 1 A 88 88 LEU H H 88 8.736 9.154 -0.418 1
1 1019 . 5 1 1 A 88 88 LEU CA C 88 53.763 53.323 0.440 1
1 1020 . 5 1 1 A 88 88 LEU HA H 88 5.163 5.226 -0.063 1
1 1021 . 5 1 1 A 88 88 LEU CB C 88 43.020 44.628 -1.608 1
1 1034 . 5 1 1 A 88 88 LEU C C 88 175.824 175.454 0.370 1
1 1035 . 5 1 1 A 89 89 SER N N 89 122.016 119.667 2.349 1
1 1036 . 5 1 1 A 89 89 SER H H 89 9.152 8.851 0.301 1
1 1037 . 5 1 1 A 89 89 SER CA C 89 57.242 56.415 0.827 1
1 1038 . 5 1 1 A 89 89 SER HA H 89 4.739 5.147 -0.408 1
1 1039 . 5 1 1 A 89 89 SER CB C 89 65.526 66.601 -1.075 1
1 1042 . 5 1 1 A 89 89 SER C C 89 171.989 172.567 -0.578 1
1 1043 . 5 1 1 A 90 90 VAL N N 90 119.844 121.072 -1.228 1
1 1044 . 5 1 1 A 90 90 VAL H H 90 8.220 8.750 -0.530 1
1 1045 . 5 1 1 A 90 90 VAL CA C 90 59.143 59.109 0.034 1
1 1046 . 5 1 1 A 90 90 VAL HA H 90 4.604 4.588 0.016 1
1 1047 . 5 1 1 A 90 90 VAL CB C 90 33.056 32.971 0.085 1
1 1057 . 5 1 1 A 90 90 VAL C C 90 174.198 174.289 -0.091 1
1 1058 . 5 1 1 A 91 91 PRO CA C 91 63.467 62.370 1.097 1
1 1059 . 5 1 1 A 91 91 PRO HA H 91 4.329 4.545 -0.216 1
1 1060 . 5 1 1 A 91 91 PRO CB C 91 32.003 32.604 -0.601 1
1 1069 . 5 1 1 A 91 91 PRO C C 91 175.557 176.793 -1.236 1
1 1 . 6 1 1 A 6 6 SER CA C 6 58.720 59.721 -1.001 1
1 2 . 6 1 1 A 6 6 SER HA H 6 4.456 4.332 0.124 1
1 3 . 6 1 1 A 6 6 SER CB C 6 63.880 63.045 0.835 1
1 6 . 6 1 1 A 6 6 SER C C 6 174.951 174.667 0.284 1
1 7 . 6 1 1 A 7 7 GLY N N 7 110.558 110.007 0.551 1
1 8 . 6 1 1 A 7 7 GLY H H 7 8.377 8.606 -0.229 1
1 9 . 6 1 1 A 7 7 GLY CA C 7 45.205 45.705 -0.500 1
1 10 . 6 1 1 A 7 7 GLY HA2 H 7 3.879 3.825 0.054 1
1 11 . 6 1 1 A 7 7 GLY HA3 H 7 3.910 3.900 0.010 1
1 12 . 6 1 1 A 7 7 GLY C C 7 173.615 174.478 -0.863 1
1 13 . 6 1 1 A 8 8 PHE N N 8 119.857 119.106 0.751 1
1 14 . 6 1 1 A 8 8 PHE H H 8 8.062 7.882 0.180 1
1 15 . 6 1 1 A 8 8 PHE CA C 8 57.418 58.281 -0.863 1
1 16 . 6 1 1 A 8 8 PHE HA H 8 4.624 4.435 0.189 1
1 17 . 6 1 1 A 8 8 PHE CB C 8 39.749 38.565 1.184 1
1 30 . 6 1 1 A 8 8 PHE C C 8 175.242 175.469 -0.227 1
1 31 . 6 1 1 A 9 9 GLU N N 9 124.807 124.759 0.048 1
1 32 . 6 1 1 A 9 9 GLU H H 9 8.311 8.647 -0.336 1
1 33 . 6 1 1 A 9 9 GLU CA C 9 54.034 53.981 0.053 1
1 34 . 6 1 1 A 9 9 GLU HA H 9 4.546 5.058 -0.512 1
1 35 . 6 1 1 A 9 9 GLU CB C 9 29.859 30.336 -0.477 1
1 40 . 6 1 1 A 9 9 GLU C C 9 174.125 173.449 0.676 1
1 41 . 6 1 1 A 10 10 PRO CA C 10 63.366 62.347 1.019 1
1 42 . 6 1 1 A 10 10 PRO HA H 10 4.334 4.749 -0.415 1
1 43 . 6 1 1 A 10 10 PRO CB C 10 32.033 32.948 -0.915 1
1 52 . 6 1 1 A 10 10 PRO C C 10 177.062 176.181 0.881 1
1 53 . 6 1 1 A 11 11 ARG N N 11 120.726 117.594 3.132 1
1 54 . 6 1 1 A 11 11 ARG H H 11 8.477 8.575 -0.098 1
1 55 . 6 1 1 A 11 11 ARG CA C 11 56.175 53.560 2.615 1
1 56 . 6 1 1 A 11 11 ARG HA H 11 4.318 5.239 -0.921 1
1 57 . 6 1 1 A 11 11 ARG CB C 11 30.831 34.333 -3.502 1
1 66 . 6 1 1 A 11 11 ARG C C 11 176.455 174.782 1.673 1
1 67 . 6 1 1 A 12 12 SER N N 12 116.599 115.946 0.653 1
1 68 . 6 1 1 A 12 12 SER H H 12 8.289 8.653 -0.364 1
1 69 . 6 1 1 A 12 12 SER CA C 12 58.330 57.484 0.846 1
1 70 . 6 1 1 A 12 12 SER HA H 12 4.396 5.377 -0.981 1
1 71 . 6 1 1 A 12 12 SER CB C 12 63.633 66.638 -3.005 1
1 74 . 6 1 1 A 12 12 SER C C 12 174.465 173.017 1.448 1
1 75 . 6 1 1 A 13 13 LEU N N 13 124.186 122.487 1.699 1
1 76 . 6 1 1 A 13 13 LEU H H 13 8.275 8.695 -0.420 1
1 77 . 6 1 1 A 13 13 LEU CA C 13 55.306 52.599 2.707 1
1 78 . 6 1 1 A 13 13 LEU HA H 13 4.361 5.046 -0.685 1
1 79 . 6 1 1 A 13 13 LEU CB C 13 42.350 44.986 -2.636 1
1 92 . 6 1 1 A 13 13 LEU C C 13 177.184 175.365 1.819 1
1 93 . 6 1 1 A 14 14 ILE N N 14 121.445 120.261 1.184 1
1 94 . 6 1 1 A 14 14 ILE H H 14 8.106 8.286 -0.180 1
1 95 . 6 1 1 A 14 14 ILE CA C 14 61.248 60.677 0.571 1
1 96 . 6 1 1 A 14 14 ILE HA H 14 4.202 4.121 0.081 1
1 97 . 6 1 1 A 14 14 ILE CB C 14 38.555 39.136 -0.581 1
1 110 . 6 1 1 A 14 14 ILE C C 14 176.528 175.896 0.632 1
1 111 . 6 1 1 A 15 15 THR N N 15 118.053 114.740 3.313 1
1 112 . 6 1 1 A 15 15 THR H H 15 8.226 8.468 -0.242 1
1 113 . 6 1 1 A 15 15 THR CA C 15 61.573 60.709 0.864 1
1 114 . 6 1 1 A 15 15 THR HA H 15 4.401 5.339 -0.938 1
1 115 . 6 1 1 A 15 15 THR CB C 15 69.795 70.392 -0.597 1
1 121 . 6 1 1 A 15 15 THR C C 15 174.538 173.701 0.837 1
1 122 . 6 1 1 A 16 16 SER N N 16 117.877 119.214 -1.337 1
1 123 . 6 1 1 A 16 16 SER H H 16 8.272 8.924 -0.652 1
1 124 . 6 1 1 A 16 16 SER CA C 16 55.830 59.462 -3.632 1
1 125 . 6 1 1 A 16 16 SER HA H 16 4.448 4.635 -0.187 1
1 126 . 6 1 1 A 16 16 SER CB C 16 63.880 64.266 -0.386 1
1 129 . 6 1 1 A 16 16 SER C C 16 174.247 173.415 0.832 1
1 130 . 6 1 1 A 17 17 ASP N N 17 122.892 120.900 1.992 1
1 131 . 6 1 1 A 17 17 ASP H H 17 8.425 8.092 0.333 1
1 132 . 6 1 1 A 17 17 ASP CA C 17 54.461 55.476 -1.015 1
1 133 . 6 1 1 A 17 17 ASP HA H 17 4.611 4.694 -0.083 1
1 134 . 6 1 1 A 17 17 ASP CB C 17 41.340 41.339 0.001 1
1 137 . 6 1 1 A 17 17 ASP C C 17 176.358 176.088 0.270 1
1 138 . 6 1 1 A 18 18 LYS N N 18 121.459 121.093 0.366 1
1 139 . 6 1 1 A 18 18 LYS H H 18 8.349 8.598 -0.249 1
1 140 . 6 1 1 A 18 18 LYS CA C 18 56.526 54.937 1.589 1
1 141 . 6 1 1 A 18 18 LYS HA H 18 4.356 4.952 -0.596 1
1 142 . 6 1 1 A 18 18 LYS CB C 18 32.744 36.639 -3.895 1
1 152 . 6 1 1 A 18 18 LYS C C 18 177.305 175.478 1.827 1
1 153 . 6 1 1 A 19 19 GLY N N 19 109.072 109.247 -0.175 1
1 154 . 6 1 1 A 19 19 GLY H H 19 8.533 8.329 0.204 1
1 155 . 6 1 1 A 19 19 GLY CA C 19 45.451 45.377 0.074 1
1 156 . 6 1 1 A 19 19 GLY HA2 H 19 3.884 4.286 -0.402 1
1 157 . 6 1 1 A 19 19 GLY HA3 H 19 3.960 4.296 -0.336 1
1 158 . 6 1 1 A 19 19 GLY C C 19 174.028 172.524 1.504 1
1 159 . 6 1 1 A 20 20 PHE N N 20 119.395 121.410 -2.015 1
1 160 . 6 1 1 A 20 20 PHE H H 20 8.014 8.572 -0.558 1
1 161 . 6 1 1 A 20 20 PHE CA C 20 56.992 56.322 0.670 1
1 162 . 6 1 1 A 20 20 PHE HA H 20 5.166 5.454 -0.288 1
1 163 . 6 1 1 A 20 20 PHE CB C 20 43.122 43.724 -0.602 1
1 176 . 6 1 1 A 20 20 PHE C C 20 174.247 174.096 0.151 1
1 177 . 6 1 1 A 21 21 VAL N N 21 119.613 120.398 -0.785 1
1 178 . 6 1 1 A 21 21 VAL H H 21 9.282 8.978 0.304 1
1 179 . 6 1 1 A 21 21 VAL CA C 21 60.286 60.108 0.178 1
1 180 . 6 1 1 A 21 21 VAL HA H 21 4.403 4.962 -0.559 1
1 181 . 6 1 1 A 21 21 VAL CB C 21 35.624 36.093 -0.469 1
1 191 . 6 1 1 A 21 21 VAL C C 21 174.077 173.741 0.336 1
1 192 . 6 1 1 A 22 22 THR N N 22 123.150 121.613 1.537 1
1 193 . 6 1 1 A 22 22 THR H H 22 8.226 8.726 -0.500 1
1 194 . 6 1 1 A 22 22 THR CA C 22 61.672 61.286 0.386 1
1 195 . 6 1 1 A 22 22 THR HA H 22 5.214 5.135 0.079 1
1 196 . 6 1 1 A 22 22 THR CB C 22 69.636 71.038 -1.402 1
1 202 . 6 1 1 A 22 22 THR C C 22 174.319 173.623 0.696 1
1 203 . 6 1 1 A 23 23 MET N N 23 125.701 122.925 2.776 1
1 204 . 6 1 1 A 23 23 MET H H 23 9.254 9.065 0.189 1
1 205 . 6 1 1 A 23 23 MET CA C 23 54.250 54.168 0.082 1
1 206 . 6 1 1 A 23 23 MET HA H 23 4.680 5.210 -0.530 1
1 207 . 6 1 1 A 23 23 MET CB C 23 34.967 37.114 -2.147 1
1 217 . 6 1 1 A 23 23 MET C C 23 174.028 174.132 -0.104 1
1 218 . 6 1 1 A 24 24 THR N N 24 109.251 115.462 -6.211 1
1 219 . 6 1 1 A 24 24 THR H H 24 8.410 8.660 -0.250 1
1 220 . 6 1 1 A 24 24 THR CA C 24 59.952 61.586 -1.634 1
1 221 . 6 1 1 A 24 24 THR HA H 24 4.838 4.769 0.069 1
1 222 . 6 1 1 A 24 24 THR CB C 24 71.427 71.792 -0.365 1
1 228 . 6 1 1 A 24 24 THR C C 24 172.353 172.623 -0.270 1
1 229 . 6 1 1 A 25 25 LEU N N 25 125.384 129.388 -4.004 1
1 230 . 6 1 1 A 25 25 LEU H H 25 8.901 9.128 -0.227 1
1 231 . 6 1 1 A 25 25 LEU CA C 25 53.373 53.329 0.044 1
1 232 . 6 1 1 A 25 25 LEU HA H 25 5.333 5.359 -0.026 1
1 233 . 6 1 1 A 25 25 LEU CB C 25 45.607 45.811 -0.204 1
1 246 . 6 1 1 A 25 25 LEU C C 25 175.606 175.058 0.548 1
1 247 . 6 1 1 A 26 26 GLU N N 26 125.482 126.774 -1.292 1
1 248 . 6 1 1 A 26 26 GLU H H 26 9.147 9.424 -0.277 1
1 249 . 6 1 1 A 26 26 GLU CA C 26 56.010 54.699 1.311 1
1 250 . 6 1 1 A 26 26 GLU HA H 26 4.922 4.979 -0.057 1
1 251 . 6 1 1 A 26 26 GLU CB C 26 33.588 33.057 0.531 1
1 257 . 6 1 1 A 26 26 GLU C C 26 175.387 175.915 -0.528 1
1 258 . 6 1 1 A 27 27 SER N N 27 118.827 116.624 2.203 1
1 259 . 6 1 1 A 27 27 SER H H 27 8.432 8.538 -0.106 1
1 260 . 6 1 1 A 27 27 SER CA C 27 55.236 55.859 -0.623 1
1 261 . 6 1 1 A 27 27 SER HA H 27 3.720 4.483 -0.763 1
1 262 . 6 1 1 A 27 27 SER CB C 27 63.703 65.689 -1.986 1
1 265 . 6 1 1 A 27 27 SER C C 27 173.980 175.625 -1.645 1
1 266 . 6 1 1 A 28 28 LEU N N 28 121.319 121.082 0.237 1
1 267 . 6 1 1 A 28 28 LEU H H 28 7.990 8.102 -0.112 1
1 268 . 6 1 1 A 28 28 LEU CA C 28 55.887 56.273 -0.386 1
1 269 . 6 1 1 A 28 28 LEU HA H 28 4.071 4.144 -0.073 1
1 270 . 6 1 1 A 28 28 LEU CB C 28 42.184 42.773 -0.589 1
1 283 . 6 1 1 A 28 28 LEU C C 28 177.159 176.320 0.839 1
1 284 . 6 1 1 A 29 29 GLU N N 29 115.740 116.613 -0.873 1
1 285 . 6 1 1 A 29 29 GLU H H 29 7.458 7.577 -0.119 1
1 286 . 6 1 1 A 29 29 GLU CA C 29 53.658 54.773 -1.115 1
1 287 . 6 1 1 A 29 29 GLU HA H 29 4.444 4.572 -0.128 1
1 288 . 6 1 1 A 29 29 GLU CB C 29 33.209 33.103 0.106 1
1 294 . 6 1 1 A 29 29 GLU C C 29 174.417 174.010 0.407 1
1 295 . 6 1 1 A 30 30 GLU N N 30 122.052 120.852 1.200 1
1 296 . 6 1 1 A 30 30 GLU H H 30 8.500 8.540 -0.040 1
1 297 . 6 1 1 A 30 30 GLU CA C 30 57.621 56.482 1.139 1
1 298 . 6 1 1 A 30 30 GLU HA H 30 4.297 4.377 -0.080 1
1 299 . 6 1 1 A 30 30 GLU CB C 30 30.403 30.654 -0.251 1
1 305 . 6 1 1 A 30 30 GLU C C 30 177.087 175.866 1.221 1
1 306 . 6 1 1 A 31 31 ILE N N 31 120.377 120.704 -0.327 1
1 307 . 6 1 1 A 31 31 ILE H H 31 8.828 8.502 0.326 1
1 308 . 6 1 1 A 31 31 ILE CA C 31 59.741 58.317 1.424 1
1 309 . 6 1 1 A 31 31 ILE HA H 31 4.680 4.693 -0.013 1
1 310 . 6 1 1 A 31 31 ILE CB C 31 40.845 41.578 -0.733 1
1 323 . 6 1 1 A 31 31 ILE C C 31 175.776 176.537 -0.761 1
1 324 . 6 1 1 A 32 32 GLN N N 32 119.444 121.856 -2.412 1
1 325 . 6 1 1 A 32 32 GLN H H 32 8.668 8.954 -0.286 1
1 326 . 6 1 1 A 32 32 GLN CA C 32 57.277 57.863 -0.586 1
1 327 . 6 1 1 A 32 32 GLN HA H 32 4.302 4.297 0.005 1
1 328 . 6 1 1 A 32 32 GLN CB C 32 30.079 29.344 0.735 1
1 337 . 6 1 1 A 32 32 GLN C C 32 175.824 174.594 1.230 1
1 338 . 6 1 1 A 33 33 ASP N N 33 113.908 116.354 -2.446 1
1 339 . 6 1 1 A 33 33 ASP H H 33 7.684 7.961 -0.277 1
1 340 . 6 1 1 A 33 33 ASP CA C 33 53.441 52.626 0.815 1
1 341 . 6 1 1 A 33 33 ASP HA H 33 4.754 5.129 -0.375 1
1 342 . 6 1 1 A 33 33 ASP CB C 33 43.727 44.686 -0.959 1
1 345 . 6 1 1 A 33 33 ASP C C 33 175.824 176.509 -0.685 1
1 346 . 6 1 1 A 34 34 VAL N N 34 114.196 121.581 -7.385 1
1 347 . 6 1 1 A 34 34 VAL H H 34 8.640 8.765 -0.125 1
1 348 . 6 1 1 A 34 34 VAL CA C 34 64.836 65.150 -0.314 1
1 349 . 6 1 1 A 34 34 VAL HA H 34 3.910 3.897 0.013 1
1 350 . 6 1 1 A 34 34 VAL CB C 34 31.539 31.704 -0.165 1
1 360 . 6 1 1 A 34 34 VAL C C 34 177.669 178.004 -0.335 1
1 361 . 6 1 1 A 35 35 SER N N 35 120.001 116.878 3.123 1
1 362 . 6 1 1 A 35 35 SER H H 35 9.274 8.420 0.854 1
1 363 . 6 1 1 A 35 35 SER CA C 35 62.276 61.727 0.549 1
1 364 . 6 1 1 A 35 35 SER HA H 35 4.448 4.258 0.190 1
1 365 . 6 1 1 A 35 35 SER CB C 35 62.255 63.104 -0.849 1
1 368 . 6 1 1 A 35 35 SER C C 35 177.305 177.310 -0.005 1
1 369 . 6 1 1 A 36 36 CYS N N 36 120.840 119.926 0.914 1
1 370 . 6 1 1 A 36 36 CYS H H 36 7.894 8.332 -0.438 1
1 371 . 6 1 1 A 36 36 CYS CA C 36 62.416 63.136 -0.720 1
1 372 . 6 1 1 A 36 36 CYS HA H 36 4.310 4.250 0.060 1
1 373 . 6 1 1 A 36 36 CYS CB C 36 28.189 26.758 1.431 1
1 376 . 6 1 1 A 36 36 CYS C C 36 177.257 177.086 0.171 1
1 377 . 6 1 1 A 37 37 ALA N N 37 122.247 121.581 0.666 1
1 378 . 6 1 1 A 37 37 ALA H H 37 7.343 8.156 -0.813 1
1 379 . 6 1 1 A 37 37 ALA CA C 37 54.145 55.241 -1.096 1
1 380 . 6 1 1 A 37 37 ALA HA H 37 3.546 3.866 -0.320 1
1 381 . 6 1 1 A 37 37 ALA CB C 37 20.009 18.529 1.480 1
1 385 . 6 1 1 A 37 37 ALA C C 37 178.883 180.130 -1.247 1
1 386 . 6 1 1 A 38 38 TRP N N 38 117.352 118.651 -1.299 1
1 387 . 6 1 1 A 38 38 TRP H H 38 7.937 8.720 -0.783 1
1 388 . 6 1 1 A 38 38 TRP CA C 38 60.600 60.571 0.029 1
1 389 . 6 1 1 A 38 38 TRP HA H 38 4.276 4.383 -0.107 1
1 390 . 6 1 1 A 38 38 TRP CB C 38 29.693 29.408 0.285 1
1 405 . 6 1 1 A 38 38 TRP C C 38 178.664 179.157 -0.493 1
1 406 . 6 1 1 A 39 39 LYS N N 39 117.638 118.989 -1.351 1
1 407 . 6 1 1 A 39 39 LYS H H 39 8.102 8.257 -0.155 1
1 408 . 6 1 1 A 39 39 LYS CA C 39 60.009 59.448 0.561 1
1 409 . 6 1 1 A 39 39 LYS HA H 39 4.031 4.028 0.003 1
1 410 . 6 1 1 A 39 39 LYS CB C 39 32.471 32.013 0.458 1
1 421 . 6 1 1 A 39 39 LYS C C 39 178.713 179.197 -0.484 1
1 422 . 6 1 1 A 40 40 GLU N N 40 120.486 119.684 0.802 1
1 423 . 6 1 1 A 40 40 GLU H H 40 6.821 7.734 -0.913 1
1 424 . 6 1 1 A 40 40 GLU CA C 40 58.486 58.982 -0.496 1
1 425 . 6 1 1 A 40 40 GLU HA H 40 4.350 4.141 0.209 1
1 426 . 6 1 1 A 40 40 GLU CB C 40 28.459 29.453 -0.994 1
1 432 . 6 1 1 A 40 40 GLU C C 40 178.543 179.356 -0.813 1
1 433 . 6 1 1 A 41 41 LEU N N 41 119.356 120.110 -0.754 1
1 434 . 6 1 1 A 41 41 LEU H H 41 8.291 8.748 -0.457 1
1 435 . 6 1 1 A 41 41 LEU CA C 41 59.002 58.103 0.899 1
1 436 . 6 1 1 A 41 41 LEU HA H 41 3.947 4.149 -0.202 1
1 437 . 6 1 1 A 41 41 LEU CB C 41 41.914 41.256 0.658 1
1 450 . 6 1 1 A 41 41 LEU C C 41 178.106 179.222 -1.116 1
1 451 . 6 1 1 A 42 42 ASN N N 42 113.310 117.629 -4.319 1
1 452 . 6 1 1 A 42 42 ASN H H 42 8.350 8.514 -0.164 1
1 453 . 6 1 1 A 42 42 ASN CA C 42 55.623 56.440 -0.817 1
1 454 . 6 1 1 A 42 42 ASN HA H 42 4.420 4.560 -0.140 1
1 455 . 6 1 1 A 42 42 ASN CB C 42 39.318 38.347 0.971 1
1 461 . 6 1 1 A 42 42 ASN C C 42 176.820 178.433 -1.613 1
1 462 . 6 1 1 A 43 43 ARG N N 43 117.734 120.125 -2.391 1
1 463 . 6 1 1 A 43 43 ARG H H 43 7.578 7.937 -0.359 1
1 464 . 6 1 1 A 43 43 ARG CA C 43 58.301 58.989 -0.688 1
1 465 . 6 1 1 A 43 43 ARG HA H 43 4.227 4.144 0.083 1
1 466 . 6 1 1 A 43 43 ARG CB C 43 31.361 30.620 0.741 1
1 475 . 6 1 1 A 43 43 ARG C C 43 178.106 178.172 -0.066 1
1 476 . 6 1 1 A 44 44 LYS N N 44 115.502 117.485 -1.983 1
1 477 . 6 1 1 A 44 44 LYS H H 44 7.365 7.587 -0.222 1
1 478 . 6 1 1 A 44 44 LYS CA C 44 55.367 57.190 -1.823 1
1 479 . 6 1 1 A 44 44 LYS HA H 44 4.280 4.194 0.086 1
1 480 . 6 1 1 A 44 44 LYS CB C 44 34.289 32.563 1.726 1
1 491 . 6 1 1 A 44 44 LYS C C 44 176.504 176.033 0.471 1
1 492 . 6 1 1 A 45 45 LEU N N 45 118.486 119.235 -0.749 1
1 493 . 6 1 1 A 45 45 LEU H H 45 7.977 7.348 0.629 1
1 494 . 6 1 1 A 45 45 LEU CA C 45 53.335 53.188 0.147 1
1 495 . 6 1 1 A 45 45 LEU HA H 45 4.882 4.828 0.054 1
1 496 . 6 1 1 A 45 45 LEU CB C 45 45.307 46.000 -0.693 1
1 509 . 6 1 1 A 45 45 LEU C C 45 176.771 175.131 1.640 1
1 510 . 6 1 1 A 46 46 SER N N 46 116.809 117.714 -0.905 1
1 511 . 6 1 1 A 46 46 SER H H 46 9.074 8.859 0.215 1
1 512 . 6 1 1 A 46 46 SER CA C 46 57.981 57.542 0.439 1
1 513 . 6 1 1 A 46 46 SER HA H 46 4.407 4.664 -0.257 1
1 514 . 6 1 1 A 46 46 SER CB C 46 64.496 64.677 -0.181 1
1 517 . 6 1 1 A 46 46 SER C C 46 175.387 175.650 -0.263 1
1 518 . 6 1 1 A 47 47 SER N N 47 117.511 119.558 -2.047 1
1 519 . 6 1 1 A 47 47 SER H H 47 8.955 9.010 -0.055 1
1 520 . 6 1 1 A 47 47 SER CA C 47 61.523 61.997 -0.474 1
1 521 . 6 1 1 A 47 47 SER HA H 47 4.197 4.126 0.071 1
1 522 . 6 1 1 A 47 47 SER CB C 47 62.412 62.709 -0.297 1
1 525 . 6 1 1 A 48 48 ASN H H 48 8.475 8.177 0.298 1
1 526 . 6 1 1 A 48 48 ASN CA C 48 56.327 55.986 0.341 1
1 527 . 6 1 1 A 48 48 ASN HA H 48 4.421 4.458 -0.037 1
1 528 . 6 1 1 A 48 48 ASN CB C 48 38.635 38.385 0.250 1
1 534 . 6 1 1 A 48 48 ASN C C 48 177.232 177.629 -0.397 1
1 535 . 6 1 1 A 49 49 ALA N N 49 123.504 122.330 1.174 1
1 536 . 6 1 1 A 49 49 ALA H H 49 7.837 8.046 -0.209 1
1 537 . 6 1 1 A 49 49 ALA CA C 49 55.271 55.263 0.008 1
1 538 . 6 1 1 A 49 49 ALA HA H 49 4.171 4.160 0.011 1
1 539 . 6 1 1 A 49 49 ALA CB C 49 19.301 18.109 1.192 1
1 543 . 6 1 1 A 49 49 ALA C C 49 179.830 180.146 -0.316 1
1 544 . 6 1 1 A 50 50 VAL N N 50 115.694 116.322 -0.628 1
1 545 . 6 1 1 A 50 50 VAL H H 50 8.069 8.324 -0.255 1
1 546 . 6 1 1 A 50 50 VAL CA C 50 65.728 64.241 1.487 1
1 547 . 6 1 1 A 50 50 VAL HA H 50 3.645 3.843 -0.198 1
1 548 . 6 1 1 A 50 50 VAL CB C 50 31.836 31.591 0.245 1
1 558 . 6 1 1 A 50 50 VAL C C 50 178.567 177.182 1.385 1
1 559 . 6 1 1 A 51 51 SER N N 51 114.048 116.841 -2.793 1
1 560 . 6 1 1 A 51 51 SER H H 51 7.849 7.885 -0.036 1
1 561 . 6 1 1 A 51 51 SER CA C 51 60.756 61.075 -0.319 1
1 562 . 6 1 1 A 51 51 SER HA H 51 4.334 4.305 0.029 1
1 563 . 6 1 1 A 51 51 SER CB C 51 63.383 62.970 0.413 1
1 565 . 6 1 1 A 51 51 SER C C 51 174.635 176.426 -1.791 1
1 566 . 6 1 1 A 52 52 GLN N N 52 118.482 117.612 0.870 1
1 567 . 6 1 1 A 52 52 GLN H H 52 7.564 7.809 -0.245 1
1 568 . 6 1 1 A 52 52 GLN CA C 52 55.306 57.767 -2.461 1
1 569 . 6 1 1 A 52 52 GLN HA H 52 4.389 4.403 -0.014 1
1 570 . 6 1 1 A 52 52 GLN CB C 52 29.217 29.047 0.170 1
1 579 . 6 1 1 A 52 52 GLN C C 52 175.315 176.660 -1.345 1
1 580 . 6 1 1 A 53 53 ILE N N 53 119.847 121.645 -1.798 1
1 581 . 6 1 1 A 53 53 ILE H H 53 7.281 7.494 -0.213 1
1 582 . 6 1 1 A 53 53 ILE CA C 53 62.903 62.005 0.898 1
1 583 . 6 1 1 A 53 53 ILE HA H 53 4.417 4.022 0.395 1
1 584 . 6 1 1 A 53 53 ILE CB C 53 38.124 37.408 0.716 1
1 597 . 6 1 1 A 53 53 ILE C C 53 176.383 175.343 1.040 1
1 598 . 6 1 1 A 54 54 THR N N 54 120.582 120.239 0.343 1
1 599 . 6 1 1 A 54 54 THR H H 54 9.046 8.996 0.050 1
1 600 . 6 1 1 A 54 54 THR CA C 54 59.846 59.567 0.279 1
1 601 . 6 1 1 A 54 54 THR HA H 54 4.834 5.010 -0.176 1
1 602 . 6 1 1 A 54 54 THR CB C 54 71.904 72.131 -0.227 1
1 608 . 6 1 1 A 54 54 THR C C 54 172.135 173.275 -1.140 1
1 609 . 6 1 1 A 55 55 ARG N N 55 118.375 123.530 -5.155 1
1 610 . 6 1 1 A 55 55 ARG H H 55 8.511 8.846 -0.335 1
1 611 . 6 1 1 A 55 55 ARG CA C 55 57.312 56.895 0.417 1
1 612 . 6 1 1 A 55 55 ARG HA H 55 3.782 3.776 0.006 1
1 613 . 6 1 1 A 55 55 ARG CB C 55 28.704 27.969 0.735 1
1 622 . 6 1 1 A 55 55 ARG C C 55 174.684 174.857 -0.173 1
1 623 . 6 1 1 A 56 56 MET N N 56 118.525 117.041 1.484 1
1 624 . 6 1 1 A 56 56 MET H H 56 8.279 7.975 0.304 1
1 625 . 6 1 1 A 56 56 MET CA C 56 55.799 55.480 0.319 1
1 626 . 6 1 1 A 56 56 MET HA H 56 5.188 4.981 0.207 1
1 627 . 6 1 1 A 56 56 MET CB C 56 33.062 33.278 -0.216 1
1 637 . 6 1 1 A 56 56 MET C C 56 177.572 175.187 2.385 1
1 638 . 6 1 1 A 57 57 CYS N N 57 126.541 125.307 1.234 1
1 639 . 6 1 1 A 57 57 CYS H H 57 9.340 8.658 0.682 1
1 640 . 6 1 1 A 57 57 CYS CA C 57 57.171 57.510 -0.339 1
1 641 . 6 1 1 A 57 57 CYS HA H 57 4.794 5.246 -0.452 1
1 642 . 6 1 1 A 57 57 CYS CB C 57 31.161 31.614 -0.453 1
1 645 . 6 1 1 A 57 57 CYS C C 57 173.057 174.113 -1.056 1
1 646 . 6 1 1 A 58 58 LEU N N 58 123.786 123.262 0.524 1
1 647 . 6 1 1 A 58 58 LEU H H 58 8.682 8.470 0.212 1
1 648 . 6 1 1 A 58 58 LEU CA C 58 55.975 54.729 1.246 1
1 649 . 6 1 1 A 58 58 LEU HA H 58 4.520 4.421 0.099 1
1 650 . 6 1 1 A 58 58 LEU CB C 58 43.097 42.374 0.723 1
1 663 . 6 1 1 A 58 58 LEU C C 58 177.960 177.117 0.843 1
1 664 . 6 1 1 A 59 59 LEU N N 59 124.007 124.493 -0.486 1
1 665 . 6 1 1 A 59 59 LEU H H 59 8.269 8.077 0.192 1
1 666 . 6 1 1 A 59 59 LEU CA C 59 54.156 53.775 0.381 1
1 667 . 6 1 1 A 59 59 LEU HA H 59 4.261 4.717 -0.456 1
1 668 . 6 1 1 A 59 59 LEU CB C 59 42.986 42.442 0.544 1
1 681 . 6 1 1 A 59 59 LEU C C 59 177.645 177.248 0.397 1
1 682 . 6 1 1 A 60 60 LYS N N 60 122.593 120.793 1.800 1
1 683 . 6 1 1 A 60 60 LYS H H 60 8.458 8.612 -0.154 1
1 684 . 6 1 1 A 60 60 LYS CA C 60 58.263 57.619 0.644 1
1 685 . 6 1 1 A 60 60 LYS HA H 60 4.101 4.056 0.045 1
1 686 . 6 1 1 A 60 60 LYS CB C 60 31.732 33.127 -1.395 1
1 696 . 6 1 1 A 60 60 LYS C C 60 178.422 177.730 0.692 1
1 697 . 6 1 1 A 61 61 GLY H H 61 9.070 8.938 0.132 1
1 698 . 6 1 1 A 61 61 GLY CA C 61 45.355 45.687 -0.332 1
1 699 . 6 1 1 A 61 61 GLY HA2 H 61 3.641 3.929 -0.288 1
1 700 . 6 1 1 A 61 61 GLY HA3 H 61 4.223 3.933 0.290 1
1 701 . 6 1 1 A 61 61 GLY C C 61 173.907 174.518 -0.611 1
1 702 . 6 1 1 A 62 62 ASN N N 62 112.617 113.019 -0.402 1
1 703 . 6 1 1 A 62 62 ASN H H 62 8.639 8.078 0.561 1
1 704 . 6 1 1 A 62 62 ASN CA C 62 55.115 54.734 0.381 1
1 705 . 6 1 1 A 62 62 ASN HA H 62 4.208 4.457 -0.249 1
1 706 . 6 1 1 A 62 62 ASN CB C 62 36.133 37.223 -1.090 1
1 712 . 6 1 1 A 62 62 ASN C C 62 173.810 175.237 -1.427 1
1 713 . 6 1 1 A 63 63 MET N N 63 114.254 116.764 -2.510 1
1 714 . 6 1 1 A 63 63 MET H H 63 7.967 8.246 -0.279 1
1 715 . 6 1 1 A 63 63 MET CA C 63 53.229 55.787 -2.558 1
1 716 . 6 1 1 A 63 63 MET HA H 63 4.908 4.441 0.467 1
1 717 . 6 1 1 A 63 63 MET CB C 63 29.363 33.407 -4.044 1
1 727 . 6 1 1 A 63 63 MET C C 63 175.436 175.509 -0.073 1
1 728 . 6 1 1 A 64 64 GLY N N 64 102.826 107.188 -4.362 1
1 729 . 6 1 1 A 64 64 GLY H H 64 7.039 7.495 -0.456 1
1 730 . 6 1 1 A 64 64 GLY CA C 64 45.381 45.825 -0.444 1
1 731 . 6 1 1 A 64 64 GLY HA2 H 64 4.902 4.117 0.785 1
1 732 . 6 1 1 A 64 64 GLY HA3 H 64 4.026 4.207 -0.181 1
1 733 . 6 1 1 A 64 64 GLY C C 64 171.868 171.277 0.591 1
1 734 . 6 1 1 A 65 65 VAL N N 65 110.602 116.158 -5.556 1
1 735 . 6 1 1 A 65 65 VAL H H 65 8.994 8.807 0.187 1
1 736 . 6 1 1 A 65 65 VAL CA C 65 58.892 59.006 -0.114 1
1 737 . 6 1 1 A 65 65 VAL HA H 65 5.511 5.019 0.492 1
1 738 . 6 1 1 A 65 65 VAL CB C 65 36.392 36.205 0.187 1
1 748 . 6 1 1 A 65 65 VAL C C 65 174.319 174.196 0.123 1
1 749 . 6 1 1 A 66 66 CYS N N 66 115.721 121.050 -5.329 1
1 750 . 6 1 1 A 66 66 CYS H H 66 9.175 8.768 0.407 1
1 751 . 6 1 1 A 66 66 CYS CA C 66 54.912 56.315 -1.403 1
1 752 . 6 1 1 A 66 66 CYS HA H 66 5.590 5.349 0.241 1
1 753 . 6 1 1 A 66 66 CYS CB C 66 31.672 31.516 0.156 1
1 756 . 6 1 1 A 66 66 CYS C C 66 171.941 173.181 -1.240 1
1 757 . 6 1 1 A 67 67 PHE N N 67 114.941 117.978 -3.037 1
1 758 . 6 1 1 A 67 67 PHE H H 67 8.220 8.340 -0.120 1
1 759 . 6 1 1 A 67 67 PHE CA C 67 56.468 56.049 0.419 1
1 760 . 6 1 1 A 67 67 PHE HA H 67 4.879 5.143 -0.264 1
1 761 . 6 1 1 A 67 67 PHE CB C 67 39.366 40.770 -1.404 1
1 774 . 6 1 1 A 67 67 PHE C C 67 171.552 171.656 -0.104 1
1 775 . 6 1 1 A 68 68 ASP N N 68 119.507 119.849 -0.342 1
1 776 . 6 1 1 A 68 68 ASP H H 68 9.072 9.111 -0.039 1
1 777 . 6 1 1 A 68 68 ASP CA C 68 52.737 53.290 -0.553 1
1 778 . 6 1 1 A 68 68 ASP HA H 68 5.901 5.728 0.173 1
1 779 . 6 1 1 A 68 68 ASP CB C 68 42.545 43.414 -0.869 1
1 782 . 6 1 1 A 68 68 ASP C C 68 176.116 175.951 0.165 1
1 783 . 6 1 1 A 69 69 VAL N N 69 114.937 117.303 -2.366 1
1 784 . 6 1 1 A 69 69 VAL H H 69 8.819 9.193 -0.374 1
1 785 . 6 1 1 A 69 69 VAL CA C 69 58.051 58.022 0.029 1
1 786 . 6 1 1 A 69 69 VAL HA H 69 5.205 4.881 0.324 1
1 787 . 6 1 1 A 69 69 VAL CB C 69 35.698 34.871 0.827 1
1 797 . 6 1 1 A 69 69 VAL C C 69 173.154 172.753 0.401 1
1 798 . 6 1 1 A 70 70 PRO CA C 70 62.946 61.503 1.443 1
1 799 . 6 1 1 A 70 70 PRO HA H 70 4.479 3.412 1.067 1
1 800 . 6 1 1 A 70 70 PRO CB C 70 32.255 32.282 -0.027 1
1 809 . 6 1 1 A 70 70 PRO C C 70 178.737 177.333 1.404 1
1 810 . 6 1 1 A 71 71 THR N N 71 119.743 116.637 3.106 1
1 811 . 6 1 1 A 71 71 THR H H 71 8.401 8.437 -0.036 1
1 812 . 6 1 1 A 71 71 THR CA C 71 66.415 65.106 1.309 1
1 813 . 6 1 1 A 71 71 THR HA H 71 3.761 3.815 -0.054 1
1 814 . 6 1 1 A 71 71 THR CB C 71 68.476 68.297 0.179 1
1 820 . 6 1 1 A 71 71 THR C C 71 176.965 175.890 1.075 1
1 821 . 6 1 1 A 72 72 THR N N 72 109.724 114.062 -4.338 1
1 822 . 6 1 1 A 72 72 THR H H 72 7.747 8.124 -0.377 1
1 823 . 6 1 1 A 72 72 THR CA C 72 64.100 65.395 -1.295 1
1 824 . 6 1 1 A 72 72 THR HA H 72 4.120 3.938 0.182 1
1 825 . 6 1 1 A 72 72 THR CB C 72 68.471 68.145 0.326 1
1 831 . 6 1 1 A 72 72 THR C C 72 175.849 176.453 -0.604 1
1 832 . 6 1 1 A 73 73 GLU N N 73 118.626 122.816 -4.190 1
1 833 . 6 1 1 A 73 73 GLU H H 73 7.767 8.265 -0.498 1
1 834 . 6 1 1 A 73 73 GLU CA C 73 55.623 59.394 -3.771 1
1 835 . 6 1 1 A 73 73 GLU HA H 73 4.587 4.008 0.579 1
1 836 . 6 1 1 A 73 73 GLU CB C 73 30.542 29.149 1.393 1
1 842 . 6 1 1 A 73 73 GLU C C 73 177.257 178.570 -1.313 1
1 843 . 6 1 1 A 74 74 SER N N 74 114.932 114.583 0.349 1
1 844 . 6 1 1 A 74 74 SER H H 74 7.442 7.720 -0.278 1
1 845 . 6 1 1 A 74 74 SER CA C 74 62.099 61.476 0.623 1
1 846 . 6 1 1 A 74 74 SER HA H 74 3.938 4.045 -0.107 1
1 847 . 6 1 1 A 74 74 SER CB C 74 63.067 62.843 0.224 1
1 850 . 6 1 1 A 74 74 SER C C 74 176.528 177.167 -0.639 1
1 851 . 6 1 1 A 75 75 GLU N N 75 120.907 121.677 -0.770 1
1 852 . 6 1 1 A 75 75 GLU H H 75 8.350 7.725 0.625 1
1 853 . 6 1 1 A 75 75 GLU CA C 75 59.706 58.750 0.956 1
1 854 . 6 1 1 A 75 75 GLU HA H 75 4.045 4.172 -0.127 1
1 855 . 6 1 1 A 75 75 GLU CB C 75 29.085 29.118 -0.033 1
1 861 . 6 1 1 A 75 75 GLU C C 75 179.320 178.010 1.310 1
1 862 . 6 1 1 A 76 76 ARG N N 76 121.343 118.676 2.667 1
1 863 . 6 1 1 A 76 76 ARG H H 76 7.948 7.846 0.102 1
1 864 . 6 1 1 A 76 76 ARG CA C 76 59.188 58.075 1.113 1
1 865 . 6 1 1 A 76 76 ARG HA H 76 4.094 4.265 -0.171 1
1 866 . 6 1 1 A 76 76 ARG CB C 76 29.726 30.898 -1.172 1
1 875 . 6 1 1 A 76 76 ARG C C 76 178.373 178.444 -0.071 1
1 876 . 6 1 1 A 77 77 LEU N N 77 120.110 120.150 -0.040 1
1 877 . 6 1 1 A 77 77 LEU H H 77 8.029 8.281 -0.252 1
1 878 . 6 1 1 A 77 77 LEU CA C 77 59.809 58.039 1.770 1
1 879 . 6 1 1 A 77 77 LEU HA H 77 3.975 3.985 -0.010 1
1 880 . 6 1 1 A 77 77 LEU CB C 77 42.216 41.560 0.656 1
1 893 . 6 1 1 A 77 77 LEU C C 77 178.810 179.466 -0.656 1
1 894 . 6 1 1 A 78 78 GLN N N 78 114.090 117.775 -3.685 1
1 895 . 6 1 1 A 78 78 GLN H H 78 7.680 7.876 -0.196 1
1 896 . 6 1 1 A 78 78 GLN CA C 78 59.600 58.805 0.795 1
1 897 . 6 1 1 A 78 78 GLN HA H 78 3.915 4.109 -0.194 1
1 898 . 6 1 1 A 78 78 GLN CB C 78 30.101 28.335 1.766 1
1 907 . 6 1 1 A 78 78 GLN C C 78 178.325 177.609 0.716 1
1 908 . 6 1 1 A 79 79 ALA N N 79 119.863 122.455 -2.592 1
1 909 . 6 1 1 A 79 79 ALA H H 79 7.900 7.891 0.009 1
1 910 . 6 1 1 A 79 79 ALA CA C 79 54.321 54.183 0.138 1
1 911 . 6 1 1 A 79 79 ALA HA H 79 4.255 4.206 0.049 1
1 912 . 6 1 1 A 79 79 ALA CB C 79 18.596 18.798 -0.202 1
1 916 . 6 1 1 A 79 79 ALA C C 79 179.514 179.241 0.273 1
1 917 . 6 1 1 A 80 80 GLU N N 80 115.847 115.712 0.135 1
1 918 . 6 1 1 A 80 80 GLU H H 80 7.773 8.259 -0.486 1
1 919 . 6 1 1 A 80 80 GLU CA C 80 57.312 58.022 -0.710 1
1 920 . 6 1 1 A 80 80 GLU HA H 80 4.286 4.331 -0.045 1
1 921 . 6 1 1 A 80 80 GLU CB C 80 31.095 30.257 0.838 1
1 927 . 6 1 1 A 80 80 GLU C C 80 176.965 177.080 -0.115 1
1 928 . 6 1 1 A 81 81 TRP N N 81 122.132 123.010 -0.878 1
1 929 . 6 1 1 A 81 81 TRP H H 81 7.661 7.584 0.077 1
1 930 . 6 1 1 A 81 81 TRP CA C 81 58.641 56.279 2.362 1
1 931 . 6 1 1 A 81 81 TRP HA H 81 4.261 4.745 -0.484 1
1 932 . 6 1 1 A 81 81 TRP CB C 81 29.118 29.257 -0.139 1
1 947 . 6 1 1 A 81 81 TRP C C 81 174.611 175.659 -1.048 1
1 948 . 6 1 1 A 82 82 HIS CA C 82 54.101 55.791 -1.690 1
1 949 . 6 1 1 A 82 82 HIS HA H 82 4.727 4.658 0.069 1
1 950 . 6 1 1 A 82 82 HIS CB C 82 30.847 32.710 -1.863 1
1 957 . 6 1 1 A 83 83 ASP CA C 83 54.997 54.752 0.245 1
1 958 . 6 1 1 A 83 83 ASP HA H 83 4.342 3.857 0.485 1
1 959 . 6 1 1 A 83 83 ASP CB C 83 40.395 39.669 0.726 1
1 962 . 6 1 1 A 83 83 ASP C C 83 174.198 174.570 -0.372 1
1 963 . 6 1 1 A 84 84 SER N N 84 111.986 109.945 2.041 1
1 964 . 6 1 1 A 84 84 SER H H 84 7.863 7.512 0.351 1
1 965 . 6 1 1 A 84 84 SER CA C 84 56.714 56.037 0.677 1
1 966 . 6 1 1 A 84 84 SER HA H 84 4.584 4.716 -0.132 1
1 967 . 6 1 1 A 84 84 SER CB C 84 64.374 65.583 -1.209 1
1 970 . 6 1 1 A 84 84 SER C C 84 174.489 173.949 0.540 1
1 971 . 6 1 1 A 85 85 ASP N N 85 125.547 123.676 1.871 1
1 972 . 6 1 1 A 85 85 ASP H H 85 9.268 8.958 0.310 1
1 973 . 6 1 1 A 85 85 ASP CA C 85 55.447 54.961 0.486 1
1 974 . 6 1 1 A 85 85 ASP HA H 85 4.704 4.828 -0.124 1
1 975 . 6 1 1 A 85 85 ASP CB C 85 40.980 40.787 0.193 1
1 978 . 6 1 1 A 85 85 ASP C C 85 177.038 176.455 0.583 1
1 979 . 6 1 1 A 86 86 TRP N N 86 121.831 118.468 3.363 1
1 980 . 6 1 1 A 86 86 TRP H H 86 9.345 7.952 1.393 1
1 981 . 6 1 1 A 86 86 TRP CA C 86 56.967 56.157 0.810 1
1 982 . 6 1 1 A 86 86 TRP HA H 86 5.091 5.281 -0.190 1
1 983 . 6 1 1 A 86 86 TRP CB C 86 29.118 31.648 -2.530 1
1 998 . 6 1 1 A 86 86 TRP C C 86 176.723 176.203 0.520 1
1 999 . 6 1 1 A 87 87 ILE N N 87 123.116 123.819 -0.703 1
1 1000 . 6 1 1 A 87 87 ILE H H 87 8.965 8.816 0.149 1
1 1001 . 6 1 1 A 87 87 ILE CA C 87 60.595 60.790 -0.195 1
1 1002 . 6 1 1 A 87 87 ILE HA H 87 4.462 4.775 -0.313 1
1 1003 . 6 1 1 A 87 87 ILE CB C 87 40.354 38.677 1.677 1
1 1016 . 6 1 1 A 87 87 ILE C C 87 175.824 174.809 1.015 1
1 1017 . 6 1 1 A 88 88 LEU N N 88 134.475 131.337 3.138 1
1 1018 . 6 1 1 A 88 88 LEU H H 88 8.736 9.209 -0.473 1
1 1019 . 6 1 1 A 88 88 LEU CA C 88 53.763 53.110 0.653 1
1 1020 . 6 1 1 A 88 88 LEU HA H 88 5.163 5.308 -0.145 1
1 1021 . 6 1 1 A 88 88 LEU CB C 88 43.020 45.057 -2.037 1
1 1034 . 6 1 1 A 88 88 LEU C C 88 175.824 175.191 0.633 1
1 1035 . 6 1 1 A 89 89 SER N N 89 122.016 119.764 2.252 1
1 1036 . 6 1 1 A 89 89 SER H H 89 9.152 8.803 0.349 1
1 1037 . 6 1 1 A 89 89 SER CA C 89 57.242 56.374 0.868 1
1 1038 . 6 1 1 A 89 89 SER HA H 89 4.739 5.185 -0.446 1
1 1039 . 6 1 1 A 89 89 SER CB C 89 65.526 66.646 -1.120 1
1 1042 . 6 1 1 A 89 89 SER C C 89 171.989 172.585 -0.596 1
1 1043 . 6 1 1 A 90 90 VAL N N 90 119.844 121.037 -1.193 1
1 1044 . 6 1 1 A 90 90 VAL H H 90 8.220 8.820 -0.600 1
1 1045 . 6 1 1 A 90 90 VAL CA C 90 59.143 59.036 0.107 1
1 1046 . 6 1 1 A 90 90 VAL HA H 90 4.604 4.636 -0.032 1
1 1047 . 6 1 1 A 90 90 VAL CB C 90 33.056 33.080 -0.024 1
1 1057 . 6 1 1 A 90 90 VAL C C 90 174.198 174.229 -0.031 1
1 1058 . 6 1 1 A 91 91 PRO CA C 91 63.467 63.115 0.352 1
1 1059 . 6 1 1 A 91 91 PRO HA H 91 4.329 4.503 -0.174 1
1 1060 . 6 1 1 A 91 91 PRO CB C 91 32.003 32.489 -0.486 1
1 1069 . 6 1 1 A 91 91 PRO C C 91 175.557 176.738 -1.181 1
1 1 . 7 1 1 A 6 6 SER CA C 6 58.720 57.249 1.471 1
1 2 . 7 1 1 A 6 6 SER HA H 6 4.456 4.714 -0.258 1
1 3 . 7 1 1 A 6 6 SER CB C 6 63.880 65.980 -2.100 1
1 6 . 7 1 1 A 6 6 SER C C 6 174.951 173.417 1.534 1
1 7 . 7 1 1 A 7 7 GLY N N 7 110.558 110.857 -0.299 1
1 8 . 7 1 1 A 7 7 GLY H H 7 8.377 8.698 -0.321 1
1 9 . 7 1 1 A 7 7 GLY CA C 7 45.205 47.264 -2.059 1
1 10 . 7 1 1 A 7 7 GLY HA2 H 7 3.879 3.764 0.115 1
1 11 . 7 1 1 A 7 7 GLY HA3 H 7 3.910 3.775 0.135 1
1 12 . 7 1 1 A 7 7 GLY C C 7 173.615 173.980 -0.365 1
1 13 . 7 1 1 A 8 8 PHE N N 8 119.857 120.982 -1.125 1
1 14 . 7 1 1 A 8 8 PHE H H 8 8.062 8.109 -0.047 1
1 15 . 7 1 1 A 8 8 PHE CA C 8 57.418 56.716 0.702 1
1 16 . 7 1 1 A 8 8 PHE HA H 8 4.624 5.044 -0.420 1
1 17 . 7 1 1 A 8 8 PHE CB C 8 39.749 41.800 -2.051 1
1 30 . 7 1 1 A 8 8 PHE C C 8 175.242 174.915 0.327 1
1 31 . 7 1 1 A 9 9 GLU N N 9 124.807 121.083 3.724 1
1 32 . 7 1 1 A 9 9 GLU H H 9 8.311 7.326 0.985 1
1 33 . 7 1 1 A 9 9 GLU CA C 9 54.034 54.909 -0.875 1
1 34 . 7 1 1 A 9 9 GLU HA H 9 4.546 4.478 0.068 1
1 35 . 7 1 1 A 9 9 GLU CB C 9 29.859 28.452 1.407 1
1 40 . 7 1 1 A 9 9 GLU C C 9 174.125 175.357 -1.232 1
1 41 . 7 1 1 A 10 10 PRO CA C 10 63.366 62.471 0.895 1
1 42 . 7 1 1 A 10 10 PRO HA H 10 4.334 4.811 -0.477 1
1 43 . 7 1 1 A 10 10 PRO CB C 10 32.033 33.171 -1.138 1
1 52 . 7 1 1 A 10 10 PRO C C 10 177.062 176.448 0.614 1
1 53 . 7 1 1 A 11 11 ARG N N 11 120.726 117.801 2.925 1
1 54 . 7 1 1 A 11 11 ARG H H 11 8.477 8.282 0.195 1
1 55 . 7 1 1 A 11 11 ARG CA C 11 56.175 55.799 0.376 1
1 56 . 7 1 1 A 11 11 ARG HA H 11 4.318 4.583 -0.265 1
1 57 . 7 1 1 A 11 11 ARG CB C 11 30.831 30.689 0.142 1
1 66 . 7 1 1 A 11 11 ARG C C 11 176.455 175.627 0.828 1
1 67 . 7 1 1 A 12 12 SER N N 12 116.599 113.149 3.450 1
1 68 . 7 1 1 A 12 12 SER H H 12 8.289 7.790 0.499 1
1 69 . 7 1 1 A 12 12 SER CA C 12 58.330 57.206 1.124 1
1 70 . 7 1 1 A 12 12 SER HA H 12 4.396 4.880 -0.484 1
1 71 . 7 1 1 A 12 12 SER CB C 12 63.633 64.953 -1.320 1
1 74 . 7 1 1 A 12 12 SER C C 12 174.465 171.852 2.613 1
1 75 . 7 1 1 A 13 13 LEU N N 13 124.186 123.547 0.639 1
1 76 . 7 1 1 A 13 13 LEU H H 13 8.275 8.692 -0.417 1
1 77 . 7 1 1 A 13 13 LEU CA C 13 55.306 53.277 2.029 1
1 78 . 7 1 1 A 13 13 LEU HA H 13 4.361 4.759 -0.398 1
1 79 . 7 1 1 A 13 13 LEU CB C 13 42.350 43.895 -1.545 1
1 92 . 7 1 1 A 13 13 LEU C C 13 177.184 174.136 3.048 1
1 93 . 7 1 1 A 14 14 ILE N N 14 121.445 122.045 -0.600 1
1 94 . 7 1 1 A 14 14 ILE H H 14 8.106 8.602 -0.496 1
1 95 . 7 1 1 A 14 14 ILE CA C 14 61.248 59.837 1.411 1
1 96 . 7 1 1 A 14 14 ILE HA H 14 4.202 4.989 -0.787 1
1 97 . 7 1 1 A 14 14 ILE CB C 14 38.555 41.626 -3.071 1
1 110 . 7 1 1 A 14 14 ILE C C 14 176.528 175.775 0.753 1
1 111 . 7 1 1 A 15 15 THR N N 15 118.053 116.943 1.110 1
1 112 . 7 1 1 A 15 15 THR H H 15 8.226 8.630 -0.404 1
1 113 . 7 1 1 A 15 15 THR CA C 15 61.573 60.603 0.970 1
1 114 . 7 1 1 A 15 15 THR HA H 15 4.401 4.688 -0.287 1
1 115 . 7 1 1 A 15 15 THR CB C 15 69.795 72.019 -2.224 1
1 121 . 7 1 1 A 15 15 THR C C 15 174.538 174.021 0.517 1
1 122 . 7 1 1 A 16 16 SER N N 16 117.877 117.224 0.653 1
1 123 . 7 1 1 A 16 16 SER H H 16 8.272 9.018 -0.746 1
1 124 . 7 1 1 A 16 16 SER CA C 16 55.830 59.788 -3.958 1
1 125 . 7 1 1 A 16 16 SER HA H 16 4.448 4.571 -0.123 1
1 126 . 7 1 1 A 16 16 SER CB C 16 63.880 65.279 -1.399 1
1 129 . 7 1 1 A 16 16 SER C C 16 174.247 173.031 1.216 1
1 130 . 7 1 1 A 17 17 ASP N N 17 122.892 119.935 2.957 1
1 131 . 7 1 1 A 17 17 ASP H H 17 8.425 8.314 0.111 1
1 132 . 7 1 1 A 17 17 ASP CA C 17 54.461 52.900 1.561 1
1 133 . 7 1 1 A 17 17 ASP HA H 17 4.611 5.171 -0.560 1
1 134 . 7 1 1 A 17 17 ASP CB C 17 41.340 44.252 -2.912 1
1 137 . 7 1 1 A 17 17 ASP C C 17 176.358 174.673 1.685 1
1 138 . 7 1 1 A 18 18 LYS N N 18 121.459 123.792 -2.333 1
1 139 . 7 1 1 A 18 18 LYS H H 18 8.349 8.470 -0.121 1
1 140 . 7 1 1 A 18 18 LYS CA C 18 56.526 55.111 1.415 1
1 141 . 7 1 1 A 18 18 LYS HA H 18 4.356 4.786 -0.430 1
1 142 . 7 1 1 A 18 18 LYS CB C 18 32.744 33.144 -0.400 1
1 152 . 7 1 1 A 18 18 LYS C C 18 177.305 176.092 1.213 1
1 153 . 7 1 1 A 19 19 GLY N N 19 109.072 111.234 -2.162 1
1 154 . 7 1 1 A 19 19 GLY H H 19 8.533 8.388 0.145 1
1 155 . 7 1 1 A 19 19 GLY CA C 19 45.451 46.161 -0.710 1
1 156 . 7 1 1 A 19 19 GLY HA2 H 19 3.884 4.127 -0.243 1
1 157 . 7 1 1 A 19 19 GLY HA3 H 19 3.960 4.150 -0.190 1
1 158 . 7 1 1 A 19 19 GLY C C 19 174.028 173.238 0.790 1
1 159 . 7 1 1 A 20 20 PHE N N 20 119.395 117.070 2.325 1
1 160 . 7 1 1 A 20 20 PHE H H 20 8.014 8.198 -0.184 1
1 161 . 7 1 1 A 20 20 PHE CA C 20 56.992 56.293 0.699 1
1 162 . 7 1 1 A 20 20 PHE HA H 20 5.166 5.324 -0.158 1
1 163 . 7 1 1 A 20 20 PHE CB C 20 43.122 43.811 -0.689 1
1 176 . 7 1 1 A 20 20 PHE C C 20 174.247 174.111 0.136 1
1 177 . 7 1 1 A 21 21 VAL N N 21 119.613 118.349 1.264 1
1 178 . 7 1 1 A 21 21 VAL H H 21 9.282 8.862 0.420 1
1 179 . 7 1 1 A 21 21 VAL CA C 21 60.286 60.282 0.004 1
1 180 . 7 1 1 A 21 21 VAL HA H 21 4.403 4.889 -0.486 1
1 181 . 7 1 1 A 21 21 VAL CB C 21 35.624 35.926 -0.302 1
1 191 . 7 1 1 A 21 21 VAL C C 21 174.077 173.723 0.354 1
1 192 . 7 1 1 A 22 22 THR N N 22 123.150 121.863 1.287 1
1 193 . 7 1 1 A 22 22 THR H H 22 8.226 8.730 -0.504 1
1 194 . 7 1 1 A 22 22 THR CA C 22 61.672 60.891 0.781 1
1 195 . 7 1 1 A 22 22 THR HA H 22 5.214 5.184 0.030 1
1 196 . 7 1 1 A 22 22 THR CB C 22 69.636 71.253 -1.617 1
1 202 . 7 1 1 A 22 22 THR C C 22 174.319 173.415 0.904 1
1 203 . 7 1 1 A 23 23 MET N N 23 125.701 123.698 2.003 1
1 204 . 7 1 1 A 23 23 MET H H 23 9.254 8.913 0.341 1
1 205 . 7 1 1 A 23 23 MET CA C 23 54.250 54.235 0.015 1
1 206 . 7 1 1 A 23 23 MET HA H 23 4.680 4.898 -0.218 1
1 207 . 7 1 1 A 23 23 MET CB C 23 34.967 36.657 -1.690 1
1 217 . 7 1 1 A 23 23 MET C C 23 174.028 173.905 0.123 1
1 218 . 7 1 1 A 24 24 THR N N 24 109.251 117.699 -8.448 1
1 219 . 7 1 1 A 24 24 THR H H 24 8.410 8.698 -0.288 1
1 220 . 7 1 1 A 24 24 THR CA C 24 59.952 61.569 -1.617 1
1 221 . 7 1 1 A 24 24 THR HA H 24 4.838 4.905 -0.067 1
1 222 . 7 1 1 A 24 24 THR CB C 24 71.427 70.848 0.579 1
1 228 . 7 1 1 A 24 24 THR C C 24 172.353 172.697 -0.344 1
1 229 . 7 1 1 A 25 25 LEU N N 25 125.384 126.643 -1.259 1
1 230 . 7 1 1 A 25 25 LEU H H 25 8.901 8.715 0.186 1
1 231 . 7 1 1 A 25 25 LEU CA C 25 53.373 54.037 -0.664 1
1 232 . 7 1 1 A 25 25 LEU HA H 25 5.333 5.141 0.192 1
1 233 . 7 1 1 A 25 25 LEU CB C 25 45.607 46.002 -0.395 1
1 246 . 7 1 1 A 25 25 LEU C C 25 175.606 174.511 1.095 1
1 247 . 7 1 1 A 26 26 GLU N N 26 125.482 126.689 -1.207 1
1 248 . 7 1 1 A 26 26 GLU H H 26 9.147 9.328 -0.181 1
1 249 . 7 1 1 A 26 26 GLU CA C 26 56.010 54.789 1.221 1
1 250 . 7 1 1 A 26 26 GLU HA H 26 4.922 5.078 -0.156 1
1 251 . 7 1 1 A 26 26 GLU CB C 26 33.588 32.788 0.800 1
1 257 . 7 1 1 A 26 26 GLU C C 26 175.387 175.992 -0.605 1
1 258 . 7 1 1 A 27 27 SER N N 27 118.827 120.465 -1.638 1
1 259 . 7 1 1 A 27 27 SER H H 27 8.432 8.941 -0.509 1
1 260 . 7 1 1 A 27 27 SER CA C 27 55.236 57.711 -2.475 1
1 261 . 7 1 1 A 27 27 SER HA H 27 3.720 3.903 -0.183 1
1 262 . 7 1 1 A 27 27 SER CB C 27 63.703 63.801 -0.098 1
1 265 . 7 1 1 A 27 27 SER C C 27 173.980 174.558 -0.578 1
1 266 . 7 1 1 A 28 28 LEU N N 28 121.319 122.826 -1.507 1
1 267 . 7 1 1 A 28 28 LEU H H 28 7.990 8.279 -0.289 1
1 268 . 7 1 1 A 28 28 LEU CA C 28 55.887 55.908 -0.021 1
1 269 . 7 1 1 A 28 28 LEU HA H 28 4.071 4.130 -0.059 1
1 270 . 7 1 1 A 28 28 LEU CB C 28 42.184 42.919 -0.735 1
1 283 . 7 1 1 A 28 28 LEU C C 28 177.159 176.372 0.787 1
1 284 . 7 1 1 A 29 29 GLU N N 29 115.740 117.007 -1.267 1
1 285 . 7 1 1 A 29 29 GLU H H 29 7.458 7.475 -0.017 1
1 286 . 7 1 1 A 29 29 GLU CA C 29 53.658 55.112 -1.454 1
1 287 . 7 1 1 A 29 29 GLU HA H 29 4.444 4.592 -0.148 1
1 288 . 7 1 1 A 29 29 GLU CB C 29 33.209 33.105 0.104 1
1 294 . 7 1 1 A 29 29 GLU C C 29 174.417 174.294 0.123 1
1 295 . 7 1 1 A 30 30 GLU N N 30 122.052 122.859 -0.807 1
1 296 . 7 1 1 A 30 30 GLU H H 30 8.500 8.472 0.028 1
1 297 . 7 1 1 A 30 30 GLU CA C 30 57.621 57.128 0.493 1
1 298 . 7 1 1 A 30 30 GLU HA H 30 4.297 4.305 -0.008 1
1 299 . 7 1 1 A 30 30 GLU CB C 30 30.403 30.145 0.258 1
1 305 . 7 1 1 A 30 30 GLU C C 30 177.087 176.174 0.913 1
1 306 . 7 1 1 A 31 31 ILE N N 31 120.377 122.285 -1.908 1
1 307 . 7 1 1 A 31 31 ILE H H 31 8.828 8.219 0.609 1
1 308 . 7 1 1 A 31 31 ILE CA C 31 59.741 59.391 0.350 1
1 309 . 7 1 1 A 31 31 ILE HA H 31 4.680 4.528 0.152 1
1 310 . 7 1 1 A 31 31 ILE CB C 31 40.845 40.125 0.720 1
1 323 . 7 1 1 A 31 31 ILE C C 31 175.776 177.064 -1.288 1
1 324 . 7 1 1 A 32 32 GLN N N 32 119.444 121.222 -1.778 1
1 325 . 7 1 1 A 32 32 GLN H H 32 8.668 8.692 -0.024 1
1 326 . 7 1 1 A 32 32 GLN CA C 32 57.277 57.952 -0.675 1
1 327 . 7 1 1 A 32 32 GLN HA H 32 4.302 4.322 -0.020 1
1 328 . 7 1 1 A 32 32 GLN CB C 32 30.079 29.708 0.371 1
1 337 . 7 1 1 A 32 32 GLN C C 32 175.824 175.744 0.080 1
1 338 . 7 1 1 A 33 33 ASP N N 33 113.908 115.416 -1.508 1
1 339 . 7 1 1 A 33 33 ASP H H 33 7.684 7.951 -0.267 1
1 340 . 7 1 1 A 33 33 ASP CA C 33 53.441 53.243 0.198 1
1 341 . 7 1 1 A 33 33 ASP HA H 33 4.754 4.910 -0.156 1
1 342 . 7 1 1 A 33 33 ASP CB C 33 43.727 43.691 0.036 1
1 345 . 7 1 1 A 33 33 ASP C C 33 175.824 175.819 0.005 1
1 346 . 7 1 1 A 34 34 VAL N N 34 114.196 123.529 -9.333 1
1 347 . 7 1 1 A 34 34 VAL H H 34 8.640 8.806 -0.166 1
1 348 . 7 1 1 A 34 34 VAL CA C 34 64.836 65.142 -0.306 1
1 349 . 7 1 1 A 34 34 VAL HA H 34 3.910 3.867 0.043 1
1 350 . 7 1 1 A 34 34 VAL CB C 34 31.539 31.593 -0.054 1
1 360 . 7 1 1 A 34 34 VAL C C 34 177.669 177.596 0.073 1
1 361 . 7 1 1 A 35 35 SER N N 35 120.001 116.451 3.550 1
1 362 . 7 1 1 A 35 35 SER H H 35 9.274 7.716 1.558 1
1 363 . 7 1 1 A 35 35 SER CA C 35 62.276 62.207 0.069 1
1 364 . 7 1 1 A 35 35 SER HA H 35 4.448 4.395 0.053 1
1 365 . 7 1 1 A 35 35 SER CB C 35 62.255 63.039 -0.784 1
1 368 . 7 1 1 A 35 35 SER C C 35 177.305 176.683 0.622 1
1 369 . 7 1 1 A 36 36 CYS N N 36 120.840 120.657 0.183 1
1 370 . 7 1 1 A 36 36 CYS H H 36 7.894 8.427 -0.533 1
1 371 . 7 1 1 A 36 36 CYS CA C 36 62.416 62.921 -0.505 1
1 372 . 7 1 1 A 36 36 CYS HA H 36 4.310 4.326 -0.016 1
1 373 . 7 1 1 A 36 36 CYS CB C 36 28.189 27.964 0.225 1
1 376 . 7 1 1 A 36 36 CYS C C 36 177.257 177.159 0.098 1
1 377 . 7 1 1 A 37 37 ALA N N 37 122.247 122.094 0.153 1
1 378 . 7 1 1 A 37 37 ALA H H 37 7.343 8.202 -0.859 1
1 379 . 7 1 1 A 37 37 ALA CA C 37 54.145 55.233 -1.088 1
1 380 . 7 1 1 A 37 37 ALA HA H 37 3.546 3.911 -0.365 1
1 381 . 7 1 1 A 37 37 ALA CB C 37 20.009 18.153 1.856 1
1 385 . 7 1 1 A 37 37 ALA C C 37 178.883 180.016 -1.133 1
1 386 . 7 1 1 A 38 38 TRP N N 38 117.352 118.932 -1.580 1
1 387 . 7 1 1 A 38 38 TRP H H 38 7.937 8.209 -0.272 1
1 388 . 7 1 1 A 38 38 TRP CA C 38 60.600 60.068 0.532 1
1 389 . 7 1 1 A 38 38 TRP HA H 38 4.276 4.443 -0.167 1
1 390 . 7 1 1 A 38 38 TRP CB C 38 29.693 29.040 0.653 1
1 405 . 7 1 1 A 38 38 TRP C C 38 178.664 179.334 -0.670 1
1 406 . 7 1 1 A 39 39 LYS N N 39 117.638 118.778 -1.140 1
1 407 . 7 1 1 A 39 39 LYS H H 39 8.102 8.109 -0.007 1
1 408 . 7 1 1 A 39 39 LYS CA C 39 60.009 59.127 0.882 1
1 409 . 7 1 1 A 39 39 LYS HA H 39 4.031 4.115 -0.084 1
1 410 . 7 1 1 A 39 39 LYS CB C 39 32.471 32.065 0.406 1
1 421 . 7 1 1 A 39 39 LYS C C 39 178.713 178.759 -0.046 1
1 422 . 7 1 1 A 40 40 GLU N N 40 120.486 120.103 0.383 1
1 423 . 7 1 1 A 40 40 GLU H H 40 6.821 7.682 -0.861 1
1 424 . 7 1 1 A 40 40 GLU CA C 40 58.486 59.089 -0.603 1
1 425 . 7 1 1 A 40 40 GLU HA H 40 4.350 4.019 0.331 1
1 426 . 7 1 1 A 40 40 GLU CB C 40 28.459 29.344 -0.885 1
1 432 . 7 1 1 A 40 40 GLU C C 40 178.543 179.041 -0.498 1
1 433 . 7 1 1 A 41 41 LEU N N 41 119.356 120.216 -0.860 1
1 434 . 7 1 1 A 41 41 LEU H H 41 8.291 8.435 -0.144 1
1 435 . 7 1 1 A 41 41 LEU CA C 41 59.002 58.076 0.926 1
1 436 . 7 1 1 A 41 41 LEU HA H 41 3.947 4.169 -0.222 1
1 437 . 7 1 1 A 41 41 LEU CB C 41 41.914 41.223 0.691 1
1 450 . 7 1 1 A 41 41 LEU C C 41 178.106 179.181 -1.075 1
1 451 . 7 1 1 A 42 42 ASN N N 42 113.310 117.083 -3.773 1
1 452 . 7 1 1 A 42 42 ASN H H 42 8.350 8.296 0.054 1
1 453 . 7 1 1 A 42 42 ASN CA C 42 55.623 56.337 -0.714 1
1 454 . 7 1 1 A 42 42 ASN HA H 42 4.420 4.590 -0.170 1
1 455 . 7 1 1 A 42 42 ASN CB C 42 39.318 38.165 1.153 1
1 461 . 7 1 1 A 42 42 ASN C C 42 176.820 178.125 -1.305 1
1 462 . 7 1 1 A 43 43 ARG N N 43 117.734 119.509 -1.775 1
1 463 . 7 1 1 A 43 43 ARG H H 43 7.578 7.950 -0.372 1
1 464 . 7 1 1 A 43 43 ARG CA C 43 58.301 58.415 -0.114 1
1 465 . 7 1 1 A 43 43 ARG HA H 43 4.227 4.172 0.055 1
1 466 . 7 1 1 A 43 43 ARG CB C 43 31.361 30.934 0.427 1
1 475 . 7 1 1 A 43 43 ARG C C 43 178.106 177.890 0.216 1
1 476 . 7 1 1 A 44 44 LYS N N 44 115.502 116.736 -1.234 1
1 477 . 7 1 1 A 44 44 LYS H H 44 7.365 7.178 0.187 1
1 478 . 7 1 1 A 44 44 LYS CA C 44 55.367 56.985 -1.618 1
1 479 . 7 1 1 A 44 44 LYS HA H 44 4.280 4.273 0.007 1
1 480 . 7 1 1 A 44 44 LYS CB C 44 34.289 32.965 1.324 1
1 491 . 7 1 1 A 44 44 LYS C C 44 176.504 176.652 -0.148 1
1 492 . 7 1 1 A 45 45 LEU N N 45 118.486 119.367 -0.881 1
1 493 . 7 1 1 A 45 45 LEU H H 45 7.977 7.768 0.209 1
1 494 . 7 1 1 A 45 45 LEU CA C 45 53.335 53.304 0.031 1
1 495 . 7 1 1 A 45 45 LEU HA H 45 4.882 4.832 0.050 1
1 496 . 7 1 1 A 45 45 LEU CB C 45 45.307 44.368 0.939 1
1 509 . 7 1 1 A 45 45 LEU C C 45 176.771 176.365 0.406 1
1 510 . 7 1 1 A 46 46 SER N N 46 116.809 116.387 0.422 1
1 511 . 7 1 1 A 46 46 SER H H 46 9.074 8.609 0.465 1
1 512 . 7 1 1 A 46 46 SER CA C 46 57.981 57.263 0.718 1
1 513 . 7 1 1 A 46 46 SER HA H 46 4.407 4.718 -0.311 1
1 514 . 7 1 1 A 46 46 SER CB C 46 64.496 64.632 -0.136 1
1 517 . 7 1 1 A 46 46 SER C C 46 175.387 175.736 -0.349 1
1 518 . 7 1 1 A 47 47 SER N N 47 117.511 118.115 -0.604 1
1 519 . 7 1 1 A 47 47 SER H H 47 8.955 8.997 -0.042 1
1 520 . 7 1 1 A 47 47 SER CA C 47 61.523 61.966 -0.443 1
1 521 . 7 1 1 A 47 47 SER HA H 47 4.197 4.133 0.064 1
1 522 . 7 1 1 A 47 47 SER CB C 47 62.412 62.912 -0.500 1
1 525 . 7 1 1 A 48 48 ASN H H 48 8.475 8.203 0.272 1
1 526 . 7 1 1 A 48 48 ASN CA C 48 56.327 56.200 0.127 1
1 527 . 7 1 1 A 48 48 ASN HA H 48 4.421 4.444 -0.023 1
1 528 . 7 1 1 A 48 48 ASN CB C 48 38.635 38.839 -0.204 1
1 534 . 7 1 1 A 48 48 ASN C C 48 177.232 177.409 -0.177 1
1 535 . 7 1 1 A 49 49 ALA N N 49 123.504 121.790 1.714 1
1 536 . 7 1 1 A 49 49 ALA H H 49 7.837 7.714 0.123 1
1 537 . 7 1 1 A 49 49 ALA CA C 49 55.271 55.132 0.139 1
1 538 . 7 1 1 A 49 49 ALA HA H 49 4.171 4.087 0.084 1
1 539 . 7 1 1 A 49 49 ALA CB C 49 19.301 18.571 0.730 1
1 543 . 7 1 1 A 49 49 ALA C C 49 179.830 179.611 0.219 1
1 544 . 7 1 1 A 50 50 VAL N N 50 115.694 117.454 -1.760 1
1 545 . 7 1 1 A 50 50 VAL H H 50 8.069 8.435 -0.366 1
1 546 . 7 1 1 A 50 50 VAL CA C 50 65.728 65.019 0.709 1
1 547 . 7 1 1 A 50 50 VAL HA H 50 3.645 3.784 -0.139 1
1 548 . 7 1 1 A 50 50 VAL CB C 50 31.836 31.262 0.574 1
1 558 . 7 1 1 A 50 50 VAL C C 50 178.567 177.769 0.798 1
1 559 . 7 1 1 A 51 51 SER N N 51 114.048 117.331 -3.283 1
1 560 . 7 1 1 A 51 51 SER H H 51 7.849 7.616 0.233 1
1 561 . 7 1 1 A 51 51 SER CA C 51 60.756 61.072 -0.316 1
1 562 . 7 1 1 A 51 51 SER HA H 51 4.334 4.280 0.054 1
1 563 . 7 1 1 A 51 51 SER CB C 51 63.383 63.203 0.180 1
1 565 . 7 1 1 A 51 51 SER C C 51 174.635 176.695 -2.060 1
1 566 . 7 1 1 A 52 52 GLN N N 52 118.482 117.663 0.819 1
1 567 . 7 1 1 A 52 52 GLN H H 52 7.564 7.941 -0.377 1
1 568 . 7 1 1 A 52 52 GLN CA C 52 55.306 57.947 -2.641 1
1 569 . 7 1 1 A 52 52 GLN HA H 52 4.389 4.333 0.056 1
1 570 . 7 1 1 A 52 52 GLN CB C 52 29.217 29.037 0.180 1
1 579 . 7 1 1 A 52 52 GLN C C 52 175.315 176.925 -1.610 1
1 580 . 7 1 1 A 53 53 ILE N N 53 119.847 122.118 -2.271 1
1 581 . 7 1 1 A 53 53 ILE H H 53 7.281 7.065 0.216 1
1 582 . 7 1 1 A 53 53 ILE CA C 53 62.903 62.372 0.531 1
1 583 . 7 1 1 A 53 53 ILE HA H 53 4.417 3.789 0.628 1
1 584 . 7 1 1 A 53 53 ILE CB C 53 38.124 37.164 0.960 1
1 597 . 7 1 1 A 53 53 ILE C C 53 176.383 175.585 0.798 1
1 598 . 7 1 1 A 54 54 THR N N 54 120.582 120.965 -0.383 1
1 599 . 7 1 1 A 54 54 THR H H 54 9.046 8.404 0.642 1
1 600 . 7 1 1 A 54 54 THR CA C 54 59.846 59.541 0.305 1
1 601 . 7 1 1 A 54 54 THR HA H 54 4.834 4.955 -0.121 1
1 602 . 7 1 1 A 54 54 THR CB C 54 71.904 71.973 -0.069 1
1 608 . 7 1 1 A 54 54 THR C C 54 172.135 173.206 -1.071 1
1 609 . 7 1 1 A 55 55 ARG N N 55 118.375 122.223 -3.848 1
1 610 . 7 1 1 A 55 55 ARG H H 55 8.511 8.786 -0.275 1
1 611 . 7 1 1 A 55 55 ARG CA C 55 57.312 56.980 0.332 1
1 612 . 7 1 1 A 55 55 ARG HA H 55 3.782 3.776 0.006 1
1 613 . 7 1 1 A 55 55 ARG CB C 55 28.704 27.606 1.098 1
1 622 . 7 1 1 A 55 55 ARG C C 55 174.684 174.687 -0.003 1
1 623 . 7 1 1 A 56 56 MET N N 56 118.525 117.713 0.812 1
1 624 . 7 1 1 A 56 56 MET H H 56 8.279 7.834 0.445 1
1 625 . 7 1 1 A 56 56 MET CA C 56 55.799 55.645 0.154 1
1 626 . 7 1 1 A 56 56 MET HA H 56 5.188 4.744 0.444 1
1 627 . 7 1 1 A 56 56 MET CB C 56 33.062 33.000 0.062 1
1 637 . 7 1 1 A 56 56 MET C C 56 177.572 175.056 2.516 1
1 638 . 7 1 1 A 57 57 CYS N N 57 126.541 126.705 -0.164 1
1 639 . 7 1 1 A 57 57 CYS H H 57 9.340 8.882 0.458 1
1 640 . 7 1 1 A 57 57 CYS CA C 57 57.171 57.742 -0.571 1
1 641 . 7 1 1 A 57 57 CYS HA H 57 4.794 5.229 -0.435 1
1 642 . 7 1 1 A 57 57 CYS CB C 57 31.161 31.521 -0.360 1
1 645 . 7 1 1 A 57 57 CYS C C 57 173.057 173.725 -0.668 1
1 646 . 7 1 1 A 58 58 LEU N N 58 123.786 125.941 -2.155 1
1 647 . 7 1 1 A 58 58 LEU H H 58 8.682 8.576 0.106 1
1 648 . 7 1 1 A 58 58 LEU CA C 58 55.975 54.948 1.027 1
1 649 . 7 1 1 A 58 58 LEU HA H 58 4.520 4.356 0.164 1
1 650 . 7 1 1 A 58 58 LEU CB C 58 43.097 42.290 0.807 1
1 663 . 7 1 1 A 58 58 LEU C C 58 177.960 177.315 0.645 1
1 664 . 7 1 1 A 59 59 LEU N N 59 124.007 123.518 0.489 1
1 665 . 7 1 1 A 59 59 LEU H H 59 8.269 8.337 -0.068 1
1 666 . 7 1 1 A 59 59 LEU CA C 59 54.156 53.719 0.437 1
1 667 . 7 1 1 A 59 59 LEU HA H 59 4.261 4.717 -0.456 1
1 668 . 7 1 1 A 59 59 LEU CB C 59 42.986 42.552 0.434 1
1 681 . 7 1 1 A 59 59 LEU C C 59 177.645 177.247 0.398 1
1 682 . 7 1 1 A 60 60 LYS N N 60 122.593 121.329 1.264 1
1 683 . 7 1 1 A 60 60 LYS H H 60 8.458 8.653 -0.195 1
1 684 . 7 1 1 A 60 60 LYS CA C 60 58.263 58.226 0.037 1
1 685 . 7 1 1 A 60 60 LYS HA H 60 4.101 3.923 0.178 1
1 686 . 7 1 1 A 60 60 LYS CB C 60 31.732 32.685 -0.953 1
1 696 . 7 1 1 A 60 60 LYS C C 60 178.422 177.755 0.667 1
1 697 . 7 1 1 A 61 61 GLY H H 61 9.070 8.936 0.134 1
1 698 . 7 1 1 A 61 61 GLY CA C 61 45.355 45.797 -0.442 1
1 699 . 7 1 1 A 61 61 GLY HA2 H 61 3.641 3.950 -0.309 1
1 700 . 7 1 1 A 61 61 GLY HA3 H 61 4.223 3.954 0.269 1
1 701 . 7 1 1 A 61 61 GLY C C 61 173.907 174.460 -0.553 1
1 702 . 7 1 1 A 62 62 ASN N N 62 112.617 111.791 0.826 1
1 703 . 7 1 1 A 62 62 ASN H H 62 8.639 8.231 0.408 1
1 704 . 7 1 1 A 62 62 ASN CA C 62 55.115 54.704 0.411 1
1 705 . 7 1 1 A 62 62 ASN HA H 62 4.208 4.390 -0.182 1
1 706 . 7 1 1 A 62 62 ASN CB C 62 36.133 37.236 -1.103 1
1 712 . 7 1 1 A 62 62 ASN C C 62 173.810 175.196 -1.386 1
1 713 . 7 1 1 A 63 63 MET N N 63 114.254 116.916 -2.662 1
1 714 . 7 1 1 A 63 63 MET H H 63 7.967 8.187 -0.220 1
1 715 . 7 1 1 A 63 63 MET CA C 63 53.229 55.718 -2.489 1
1 716 . 7 1 1 A 63 63 MET HA H 63 4.908 4.465 0.443 1
1 717 . 7 1 1 A 63 63 MET CB C 63 29.363 33.322 -3.959 1
1 727 . 7 1 1 A 63 63 MET C C 63 175.436 175.341 0.095 1
1 728 . 7 1 1 A 64 64 GLY N N 64 102.826 107.672 -4.846 1
1 729 . 7 1 1 A 64 64 GLY H H 64 7.039 7.441 -0.402 1
1 730 . 7 1 1 A 64 64 GLY CA C 64 45.381 45.578 -0.197 1
1 731 . 7 1 1 A 64 64 GLY HA2 H 64 4.902 4.111 0.791 1
1 732 . 7 1 1 A 64 64 GLY HA3 H 64 4.026 4.181 -0.155 1
1 733 . 7 1 1 A 64 64 GLY C C 64 171.868 171.284 0.584 1
1 734 . 7 1 1 A 65 65 VAL N N 65 110.602 115.396 -4.794 1
1 735 . 7 1 1 A 65 65 VAL H H 65 8.994 8.438 0.556 1
1 736 . 7 1 1 A 65 65 VAL CA C 65 58.892 59.045 -0.153 1
1 737 . 7 1 1 A 65 65 VAL HA H 65 5.511 5.112 0.399 1
1 738 . 7 1 1 A 65 65 VAL CB C 65 36.392 36.057 0.335 1
1 748 . 7 1 1 A 65 65 VAL C C 65 174.319 173.657 0.662 1
1 749 . 7 1 1 A 66 66 CYS N N 66 115.721 121.585 -5.864 1
1 750 . 7 1 1 A 66 66 CYS H H 66 9.175 8.600 0.575 1
1 751 . 7 1 1 A 66 66 CYS CA C 66 54.912 57.575 -2.663 1
1 752 . 7 1 1 A 66 66 CYS HA H 66 5.590 5.275 0.315 1
1 753 . 7 1 1 A 66 66 CYS CB C 66 31.672 30.992 0.680 1
1 756 . 7 1 1 A 66 66 CYS C C 66 171.941 172.866 -0.925 1
1 757 . 7 1 1 A 67 67 PHE N N 67 114.941 119.836 -4.895 1
1 758 . 7 1 1 A 67 67 PHE H H 67 8.220 8.445 -0.225 1
1 759 . 7 1 1 A 67 67 PHE CA C 67 56.468 55.757 0.711 1
1 760 . 7 1 1 A 67 67 PHE HA H 67 4.879 5.262 -0.383 1
1 761 . 7 1 1 A 67 67 PHE CB C 67 39.366 40.953 -1.587 1
1 774 . 7 1 1 A 67 67 PHE C C 67 171.552 171.724 -0.172 1
1 775 . 7 1 1 A 68 68 ASP N N 68 119.507 120.072 -0.565 1
1 776 . 7 1 1 A 68 68 ASP H H 68 9.072 9.021 0.051 1
1 777 . 7 1 1 A 68 68 ASP CA C 68 52.737 53.729 -0.992 1
1 778 . 7 1 1 A 68 68 ASP HA H 68 5.901 5.531 0.370 1
1 779 . 7 1 1 A 68 68 ASP CB C 68 42.545 43.101 -0.556 1
1 782 . 7 1 1 A 68 68 ASP C C 68 176.116 176.006 0.110 1
1 783 . 7 1 1 A 69 69 VAL N N 69 114.937 117.673 -2.736 1
1 784 . 7 1 1 A 69 69 VAL H H 69 8.819 9.170 -0.351 1
1 785 . 7 1 1 A 69 69 VAL CA C 69 58.051 57.856 0.195 1
1 786 . 7 1 1 A 69 69 VAL HA H 69 5.205 5.015 0.190 1
1 787 . 7 1 1 A 69 69 VAL CB C 69 35.698 34.636 1.062 1
1 797 . 7 1 1 A 69 69 VAL C C 69 173.154 172.930 0.224 1
1 798 . 7 1 1 A 70 70 PRO CA C 70 62.946 61.810 1.136 1
1 799 . 7 1 1 A 70 70 PRO HA H 70 4.479 3.608 0.871 1
1 800 . 7 1 1 A 70 70 PRO CB C 70 32.255 32.455 -0.200 1
1 809 . 7 1 1 A 70 70 PRO C C 70 178.737 177.193 1.544 1
1 810 . 7 1 1 A 71 71 THR N N 71 119.743 115.441 4.302 1
1 811 . 7 1 1 A 71 71 THR H H 71 8.401 8.287 0.114 1
1 812 . 7 1 1 A 71 71 THR CA C 71 66.415 64.189 2.226 1
1 813 . 7 1 1 A 71 71 THR HA H 71 3.761 3.834 -0.073 1
1 814 . 7 1 1 A 71 71 THR CB C 71 68.476 68.703 -0.227 1
1 820 . 7 1 1 A 71 71 THR C C 71 176.965 175.203 1.762 1
1 821 . 7 1 1 A 72 72 THR N N 72 109.724 114.157 -4.433 1
1 822 . 7 1 1 A 72 72 THR H H 72 7.747 7.723 0.024 1
1 823 . 7 1 1 A 72 72 THR CA C 72 64.100 63.251 0.849 1
1 824 . 7 1 1 A 72 72 THR HA H 72 4.120 4.283 -0.163 1
1 825 . 7 1 1 A 72 72 THR CB C 72 68.471 69.445 -0.974 1
1 831 . 7 1 1 A 72 72 THR C C 72 175.849 175.028 0.821 1
1 832 . 7 1 1 A 73 73 GLU N N 73 118.626 120.765 -2.139 1
1 833 . 7 1 1 A 73 73 GLU H H 73 7.767 7.814 -0.047 1
1 834 . 7 1 1 A 73 73 GLU CA C 73 55.623 56.329 -0.706 1
1 835 . 7 1 1 A 73 73 GLU HA H 73 4.587 4.630 -0.043 1
1 836 . 7 1 1 A 73 73 GLU CB C 73 30.542 30.853 -0.311 1
1 842 . 7 1 1 A 73 73 GLU C C 73 177.257 177.961 -0.704 1
1 843 . 7 1 1 A 74 74 SER N N 74 114.932 115.489 -0.557 1
1 844 . 7 1 1 A 74 74 SER H H 74 7.442 7.803 -0.361 1
1 845 . 7 1 1 A 74 74 SER CA C 74 62.099 61.169 0.930 1
1 846 . 7 1 1 A 74 74 SER HA H 74 3.938 4.170 -0.232 1
1 847 . 7 1 1 A 74 74 SER CB C 74 63.067 62.531 0.536 1
1 850 . 7 1 1 A 74 74 SER C C 74 176.528 177.099 -0.571 1
1 851 . 7 1 1 A 75 75 GLU N N 75 120.907 122.686 -1.779 1
1 852 . 7 1 1 A 75 75 GLU H H 75 8.350 7.555 0.795 1
1 853 . 7 1 1 A 75 75 GLU CA C 75 59.706 59.217 0.489 1
1 854 . 7 1 1 A 75 75 GLU HA H 75 4.045 4.150 -0.105 1
1 855 . 7 1 1 A 75 75 GLU CB C 75 29.085 29.471 -0.386 1
1 861 . 7 1 1 A 75 75 GLU C C 75 179.320 178.980 0.340 1
1 862 . 7 1 1 A 76 76 ARG N N 76 121.343 119.783 1.560 1
1 863 . 7 1 1 A 76 76 ARG H H 76 7.948 7.959 -0.011 1
1 864 . 7 1 1 A 76 76 ARG CA C 76 59.188 59.043 0.145 1
1 865 . 7 1 1 A 76 76 ARG HA H 76 4.094 4.114 -0.020 1
1 866 . 7 1 1 A 76 76 ARG CB C 76 29.726 30.202 -0.476 1
1 875 . 7 1 1 A 76 76 ARG C C 76 178.373 178.885 -0.512 1
1 876 . 7 1 1 A 77 77 LEU N N 77 120.110 119.694 0.416 1
1 877 . 7 1 1 A 77 77 LEU H H 77 8.029 8.606 -0.577 1
1 878 . 7 1 1 A 77 77 LEU CA C 77 59.809 57.861 1.948 1
1 879 . 7 1 1 A 77 77 LEU HA H 77 3.975 4.102 -0.127 1
1 880 . 7 1 1 A 77 77 LEU CB C 77 42.216 40.977 1.239 1
1 893 . 7 1 1 A 77 77 LEU C C 77 178.810 179.440 -0.630 1
1 894 . 7 1 1 A 78 78 GLN N N 78 114.090 116.778 -2.688 1
1 895 . 7 1 1 A 78 78 GLN H H 78 7.680 7.586 0.094 1
1 896 . 7 1 1 A 78 78 GLN CA C 78 59.600 58.640 0.960 1
1 897 . 7 1 1 A 78 78 GLN HA H 78 3.915 4.243 -0.328 1
1 898 . 7 1 1 A 78 78 GLN CB C 78 30.101 28.199 1.902 1
1 907 . 7 1 1 A 78 78 GLN C C 78 178.325 177.639 0.686 1
1 908 . 7 1 1 A 79 79 ALA N N 79 119.863 122.911 -3.048 1
1 909 . 7 1 1 A 79 79 ALA H H 79 7.900 7.792 0.108 1
1 910 . 7 1 1 A 79 79 ALA CA C 79 54.321 54.183 0.138 1
1 911 . 7 1 1 A 79 79 ALA HA H 79 4.255 4.387 -0.132 1
1 912 . 7 1 1 A 79 79 ALA CB C 79 18.596 18.863 -0.267 1
1 916 . 7 1 1 A 79 79 ALA C C 79 179.514 179.317 0.197 1
1 917 . 7 1 1 A 80 80 GLU N N 80 115.847 115.956 -0.109 1
1 918 . 7 1 1 A 80 80 GLU H H 80 7.773 7.987 -0.214 1
1 919 . 7 1 1 A 80 80 GLU CA C 80 57.312 58.236 -0.924 1
1 920 . 7 1 1 A 80 80 GLU HA H 80 4.286 4.357 -0.071 1
1 921 . 7 1 1 A 80 80 GLU CB C 80 31.095 30.079 1.016 1
1 927 . 7 1 1 A 80 80 GLU C C 80 176.965 177.112 -0.147 1
1 928 . 7 1 1 A 81 81 TRP N N 81 122.132 123.253 -1.121 1
1 929 . 7 1 1 A 81 81 TRP H H 81 7.661 7.486 0.175 1
1 930 . 7 1 1 A 81 81 TRP CA C 81 58.641 56.038 2.603 1
1 931 . 7 1 1 A 81 81 TRP HA H 81 4.261 4.797 -0.536 1
1 932 . 7 1 1 A 81 81 TRP CB C 81 29.118 29.244 -0.126 1
1 947 . 7 1 1 A 81 81 TRP C C 81 174.611 175.583 -0.972 1
1 948 . 7 1 1 A 82 82 HIS CA C 82 54.101 54.781 -0.680 1
1 949 . 7 1 1 A 82 82 HIS HA H 82 4.727 4.862 -0.135 1
1 950 . 7 1 1 A 82 82 HIS CB C 82 30.847 33.720 -2.873 1
1 957 . 7 1 1 A 83 83 ASP CA C 83 54.997 55.348 -0.351 1
1 958 . 7 1 1 A 83 83 ASP HA H 83 4.342 4.111 0.231 1
1 959 . 7 1 1 A 83 83 ASP CB C 83 40.395 39.083 1.312 1
1 962 . 7 1 1 A 83 83 ASP C C 83 174.198 174.706 -0.508 1
1 963 . 7 1 1 A 84 84 SER N N 84 111.986 114.894 -2.908 1
1 964 . 7 1 1 A 84 84 SER H H 84 7.863 7.440 0.423 1
1 965 . 7 1 1 A 84 84 SER CA C 84 56.714 56.461 0.253 1
1 966 . 7 1 1 A 84 84 SER HA H 84 4.584 4.565 0.019 1
1 967 . 7 1 1 A 84 84 SER CB C 84 64.374 64.275 0.099 1
1 970 . 7 1 1 A 84 84 SER C C 84 174.489 174.070 0.419 1
1 971 . 7 1 1 A 85 85 ASP N N 85 125.547 123.125 2.422 1
1 972 . 7 1 1 A 85 85 ASP H H 85 9.268 8.856 0.412 1
1 973 . 7 1 1 A 85 85 ASP CA C 85 55.447 54.549 0.898 1
1 974 . 7 1 1 A 85 85 ASP HA H 85 4.704 4.980 -0.276 1
1 975 . 7 1 1 A 85 85 ASP CB C 85 40.980 42.008 -1.028 1
1 978 . 7 1 1 A 85 85 ASP C C 85 177.038 175.876 1.162 1
1 979 . 7 1 1 A 86 86 TRP N N 86 121.831 119.951 1.880 1
1 980 . 7 1 1 A 86 86 TRP H H 86 9.345 7.801 1.544 1
1 981 . 7 1 1 A 86 86 TRP CA C 86 56.967 56.846 0.121 1
1 982 . 7 1 1 A 86 86 TRP HA H 86 5.091 5.227 -0.136 1
1 983 . 7 1 1 A 86 86 TRP CB C 86 29.118 31.424 -2.306 1
1 998 . 7 1 1 A 86 86 TRP C C 86 176.723 175.984 0.739 1
1 999 . 7 1 1 A 87 87 ILE N N 87 123.116 125.031 -1.915 1
1 1000 . 7 1 1 A 87 87 ILE H H 87 8.965 8.574 0.391 1
1 1001 . 7 1 1 A 87 87 ILE CA C 87 60.595 61.192 -0.597 1
1 1002 . 7 1 1 A 87 87 ILE HA H 87 4.462 4.553 -0.091 1
1 1003 . 7 1 1 A 87 87 ILE CB C 87 40.354 37.944 2.410 1
1 1016 . 7 1 1 A 87 87 ILE C C 87 175.824 175.112 0.712 1
1 1017 . 7 1 1 A 88 88 LEU N N 88 134.475 130.915 3.560 1
1 1018 . 7 1 1 A 88 88 LEU H H 88 8.736 9.148 -0.412 1
1 1019 . 7 1 1 A 88 88 LEU CA C 88 53.763 53.557 0.206 1
1 1020 . 7 1 1 A 88 88 LEU HA H 88 5.163 5.183 -0.020 1
1 1021 . 7 1 1 A 88 88 LEU CB C 88 43.020 43.998 -0.978 1
1 1034 . 7 1 1 A 88 88 LEU C C 88 175.824 175.556 0.268 1
1 1035 . 7 1 1 A 89 89 SER N N 89 122.016 119.150 2.866 1
1 1036 . 7 1 1 A 89 89 SER H H 89 9.152 8.843 0.309 1
1 1037 . 7 1 1 A 89 89 SER CA C 89 57.242 56.609 0.633 1
1 1038 . 7 1 1 A 89 89 SER HA H 89 4.739 5.052 -0.313 1
1 1039 . 7 1 1 A 89 89 SER CB C 89 65.526 67.127 -1.601 1
1 1042 . 7 1 1 A 89 89 SER C C 89 171.989 172.707 -0.718 1
1 1043 . 7 1 1 A 90 90 VAL N N 90 119.844 120.804 -0.960 1
1 1044 . 7 1 1 A 90 90 VAL H H 90 8.220 8.683 -0.463 1
1 1045 . 7 1 1 A 90 90 VAL CA C 90 59.143 58.688 0.455 1
1 1046 . 7 1 1 A 90 90 VAL HA H 90 4.604 4.602 0.002 1
1 1047 . 7 1 1 A 90 90 VAL CB C 90 33.056 33.225 -0.169 1
1 1057 . 7 1 1 A 90 90 VAL C C 90 174.198 174.816 -0.618 1
1 1058 . 7 1 1 A 91 91 PRO CA C 91 63.467 62.319 1.148 1
1 1059 . 7 1 1 A 91 91 PRO HA H 91 4.329 4.714 -0.385 1
1 1060 . 7 1 1 A 91 91 PRO CB C 91 32.003 33.247 -1.244 1
1 1069 . 7 1 1 A 91 91 PRO C C 91 175.557 175.051 0.506 1
1 1 . 8 1 1 A 6 6 SER CA C 6 58.720 60.581 -1.861 1
1 2 . 8 1 1 A 6 6 SER HA H 6 4.456 4.045 0.411 1
1 3 . 8 1 1 A 6 6 SER CB C 6 63.880 63.194 0.686 1
1 6 . 8 1 1 A 6 6 SER C C 6 174.951 175.017 -0.066 1
1 7 . 8 1 1 A 7 7 GLY N N 7 110.558 107.582 2.976 1
1 8 . 8 1 1 A 7 7 GLY H H 7 8.377 7.444 0.933 1
1 9 . 8 1 1 A 7 7 GLY CA C 7 45.205 46.550 -1.345 1
1 10 . 8 1 1 A 7 7 GLY HA2 H 7 3.879 3.794 0.085 1
1 11 . 8 1 1 A 7 7 GLY HA3 H 7 3.910 3.799 0.111 1
1 12 . 8 1 1 A 7 7 GLY C C 7 173.615 174.952 -1.337 1
1 13 . 8 1 1 A 8 8 PHE N N 8 119.857 118.683 1.174 1
1 14 . 8 1 1 A 8 8 PHE H H 8 8.062 7.833 0.229 1
1 15 . 8 1 1 A 8 8 PHE CA C 8 57.418 58.496 -1.078 1
1 16 . 8 1 1 A 8 8 PHE HA H 8 4.624 4.505 0.119 1
1 17 . 8 1 1 A 8 8 PHE CB C 8 39.749 38.255 1.494 1
1 30 . 8 1 1 A 8 8 PHE C C 8 175.242 175.124 0.118 1
1 31 . 8 1 1 A 9 9 GLU N N 9 124.807 120.092 4.715 1
1 32 . 8 1 1 A 9 9 GLU H H 9 8.311 7.593 0.718 1
1 33 . 8 1 1 A 9 9 GLU CA C 9 54.034 54.103 -0.069 1
1 34 . 8 1 1 A 9 9 GLU HA H 9 4.546 4.854 -0.308 1
1 35 . 8 1 1 A 9 9 GLU CB C 9 29.859 30.527 -0.668 1
1 40 . 8 1 1 A 9 9 GLU C C 9 174.125 174.934 -0.809 1
1 41 . 8 1 1 A 10 10 PRO CA C 10 63.366 64.029 -0.663 1
1 42 . 8 1 1 A 10 10 PRO HA H 10 4.334 4.410 -0.076 1
1 43 . 8 1 1 A 10 10 PRO CB C 10 32.033 31.926 0.107 1
1 52 . 8 1 1 A 10 10 PRO C C 10 177.062 176.782 0.280 1
1 53 . 8 1 1 A 11 11 ARG N N 11 120.726 116.656 4.070 1
1 54 . 8 1 1 A 11 11 ARG H H 11 8.477 7.879 0.598 1
1 55 . 8 1 1 A 11 11 ARG CA C 11 56.175 57.349 -1.174 1
1 56 . 8 1 1 A 11 11 ARG HA H 11 4.318 3.881 0.437 1
1 57 . 8 1 1 A 11 11 ARG CB C 11 30.831 26.933 3.898 1
1 66 . 8 1 1 A 11 11 ARG C C 11 176.455 174.458 1.997 1
1 67 . 8 1 1 A 12 12 SER N N 12 116.599 110.608 5.991 1
1 68 . 8 1 1 A 12 12 SER H H 12 8.289 7.566 0.723 1
1 69 . 8 1 1 A 12 12 SER CA C 12 58.330 57.070 1.260 1
1 70 . 8 1 1 A 12 12 SER HA H 12 4.396 5.116 -0.720 1
1 71 . 8 1 1 A 12 12 SER CB C 12 63.633 65.863 -2.230 1
1 74 . 8 1 1 A 12 12 SER C C 12 174.465 172.964 1.501 1
1 75 . 8 1 1 A 13 13 LEU N N 13 124.186 126.181 -1.995 1
1 76 . 8 1 1 A 13 13 LEU H H 13 8.275 8.739 -0.464 1
1 77 . 8 1 1 A 13 13 LEU CA C 13 55.306 54.440 0.866 1
1 78 . 8 1 1 A 13 13 LEU HA H 13 4.361 4.565 -0.204 1
1 79 . 8 1 1 A 13 13 LEU CB C 13 42.350 42.570 -0.220 1
1 92 . 8 1 1 A 13 13 LEU C C 13 177.184 176.074 1.110 1
1 93 . 8 1 1 A 14 14 ILE N N 14 121.445 116.389 5.056 1
1 94 . 8 1 1 A 14 14 ILE H H 14 8.106 8.543 -0.437 1
1 95 . 8 1 1 A 14 14 ILE CA C 14 61.248 58.979 2.269 1
1 96 . 8 1 1 A 14 14 ILE HA H 14 4.202 4.931 -0.729 1
1 97 . 8 1 1 A 14 14 ILE CB C 14 38.555 42.220 -3.665 1
1 110 . 8 1 1 A 14 14 ILE C C 14 176.528 175.627 0.901 1
1 111 . 8 1 1 A 15 15 THR N N 15 118.053 113.773 4.280 1
1 112 . 8 1 1 A 15 15 THR H H 15 8.226 8.547 -0.321 1
1 113 . 8 1 1 A 15 15 THR CA C 15 61.573 61.990 -0.417 1
1 114 . 8 1 1 A 15 15 THR HA H 15 4.401 4.576 -0.175 1
1 115 . 8 1 1 A 15 15 THR CB C 15 69.795 69.963 -0.168 1
1 121 . 8 1 1 A 15 15 THR C C 15 174.538 174.309 0.229 1
1 122 . 8 1 1 A 16 16 SER N N 16 117.877 117.014 0.863 1
1 123 . 8 1 1 A 16 16 SER H H 16 8.272 8.126 0.146 1
1 124 . 8 1 1 A 16 16 SER CA C 16 55.830 58.634 -2.804 1
1 125 . 8 1 1 A 16 16 SER HA H 16 4.448 4.535 -0.087 1
1 126 . 8 1 1 A 16 16 SER CB C 16 63.880 63.516 0.364 1
1 129 . 8 1 1 A 16 16 SER C C 16 174.247 171.772 2.475 1
1 130 . 8 1 1 A 17 17 ASP N N 17 122.892 122.384 0.508 1
1 131 . 8 1 1 A 17 17 ASP H H 17 8.425 8.517 -0.092 1
1 132 . 8 1 1 A 17 17 ASP CA C 17 54.461 53.066 1.395 1
1 133 . 8 1 1 A 17 17 ASP HA H 17 4.611 5.355 -0.744 1
1 134 . 8 1 1 A 17 17 ASP CB C 17 41.340 45.146 -3.806 1
1 137 . 8 1 1 A 17 17 ASP C C 17 176.358 173.686 2.672 1
1 138 . 8 1 1 A 18 18 LYS N N 18 121.459 120.862 0.597 1
1 139 . 8 1 1 A 18 18 LYS H H 18 8.349 8.462 -0.113 1
1 140 . 8 1 1 A 18 18 LYS CA C 18 56.526 55.101 1.425 1
1 141 . 8 1 1 A 18 18 LYS HA H 18 4.356 4.820 -0.464 1
1 142 . 8 1 1 A 18 18 LYS CB C 18 32.744 34.337 -1.593 1
1 152 . 8 1 1 A 18 18 LYS C C 18 177.305 175.734 1.571 1
1 153 . 8 1 1 A 19 19 GLY N N 19 109.072 111.907 -2.835 1
1 154 . 8 1 1 A 19 19 GLY H H 19 8.533 7.839 0.694 1
1 155 . 8 1 1 A 19 19 GLY CA C 19 45.451 44.570 0.881 1
1 156 . 8 1 1 A 19 19 GLY HA2 H 19 3.884 4.098 -0.214 1
1 157 . 8 1 1 A 19 19 GLY HA3 H 19 3.960 4.106 -0.146 1
1 158 . 8 1 1 A 19 19 GLY C C 19 174.028 172.729 1.299 1
1 159 . 8 1 1 A 20 20 PHE N N 20 119.395 121.575 -2.180 1
1 160 . 8 1 1 A 20 20 PHE H H 20 8.014 8.617 -0.603 1
1 161 . 8 1 1 A 20 20 PHE CA C 20 56.992 58.022 -1.030 1
1 162 . 8 1 1 A 20 20 PHE HA H 20 5.166 4.992 0.174 1
1 163 . 8 1 1 A 20 20 PHE CB C 20 43.122 41.116 2.006 1
1 176 . 8 1 1 A 20 20 PHE C C 20 174.247 175.112 -0.865 1
1 177 . 8 1 1 A 21 21 VAL N N 21 119.613 119.480 0.133 1
1 178 . 8 1 1 A 21 21 VAL H H 21 9.282 8.963 0.319 1
1 179 . 8 1 1 A 21 21 VAL CA C 21 60.286 60.132 0.154 1
1 180 . 8 1 1 A 21 21 VAL HA H 21 4.403 4.916 -0.513 1
1 181 . 8 1 1 A 21 21 VAL CB C 21 35.624 35.652 -0.028 1
1 191 . 8 1 1 A 21 21 VAL C C 21 174.077 174.387 -0.310 1
1 192 . 8 1 1 A 22 22 THR N N 22 123.150 122.586 0.564 1
1 193 . 8 1 1 A 22 22 THR H H 22 8.226 8.744 -0.518 1
1 194 . 8 1 1 A 22 22 THR CA C 22 61.672 62.315 -0.643 1
1 195 . 8 1 1 A 22 22 THR HA H 22 5.214 4.728 0.486 1
1 196 . 8 1 1 A 22 22 THR CB C 22 69.636 69.734 -0.098 1
1 202 . 8 1 1 A 22 22 THR C C 22 174.319 174.218 0.101 1
1 203 . 8 1 1 A 23 23 MET N N 23 125.701 123.576 2.125 1
1 204 . 8 1 1 A 23 23 MET H H 23 9.254 9.255 -0.001 1
1 205 . 8 1 1 A 23 23 MET CA C 23 54.250 54.270 -0.020 1
1 206 . 8 1 1 A 23 23 MET HA H 23 4.680 5.086 -0.406 1
1 207 . 8 1 1 A 23 23 MET CB C 23 34.967 36.950 -1.983 1
1 217 . 8 1 1 A 23 23 MET C C 23 174.028 174.058 -0.030 1
1 218 . 8 1 1 A 24 24 THR N N 24 109.251 115.847 -6.596 1
1 219 . 8 1 1 A 24 24 THR H H 24 8.410 8.711 -0.301 1
1 220 . 8 1 1 A 24 24 THR CA C 24 59.952 61.216 -1.264 1
1 221 . 8 1 1 A 24 24 THR HA H 24 4.838 5.006 -0.168 1
1 222 . 8 1 1 A 24 24 THR CB C 24 71.427 71.883 -0.456 1
1 228 . 8 1 1 A 24 24 THR C C 24 172.353 173.338 -0.985 1
1 229 . 8 1 1 A 25 25 LEU N N 25 125.384 125.541 -0.157 1
1 230 . 8 1 1 A 25 25 LEU H H 25 8.901 8.345 0.556 1
1 231 . 8 1 1 A 25 25 LEU CA C 25 53.373 54.095 -0.722 1
1 232 . 8 1 1 A 25 25 LEU HA H 25 5.333 4.934 0.399 1
1 233 . 8 1 1 A 25 25 LEU CB C 25 45.607 45.045 0.562 1
1 246 . 8 1 1 A 25 25 LEU C C 25 175.606 175.087 0.519 1
1 247 . 8 1 1 A 26 26 GLU N N 26 125.482 126.957 -1.475 1
1 248 . 8 1 1 A 26 26 GLU H H 26 9.147 9.102 0.045 1
1 249 . 8 1 1 A 26 26 GLU CA C 26 56.010 54.814 1.196 1
1 250 . 8 1 1 A 26 26 GLU HA H 26 4.922 4.943 -0.021 1
1 251 . 8 1 1 A 26 26 GLU CB C 26 33.588 31.815 1.773 1
1 257 . 8 1 1 A 26 26 GLU C C 26 175.387 176.023 -0.636 1
1 258 . 8 1 1 A 27 27 SER N N 27 118.827 119.503 -0.676 1
1 259 . 8 1 1 A 27 27 SER H H 27 8.432 8.726 -0.294 1
1 260 . 8 1 1 A 27 27 SER CA C 27 55.236 56.862 -1.626 1
1 261 . 8 1 1 A 27 27 SER HA H 27 3.720 4.221 -0.501 1
1 262 . 8 1 1 A 27 27 SER CB C 27 63.703 65.443 -1.740 1
1 265 . 8 1 1 A 27 27 SER C C 27 173.980 174.096 -0.116 1
1 266 . 8 1 1 A 28 28 LEU N N 28 121.319 120.657 0.662 1
1 267 . 8 1 1 A 28 28 LEU H H 28 7.990 8.258 -0.268 1
1 268 . 8 1 1 A 28 28 LEU CA C 28 55.887 55.769 0.118 1
1 269 . 8 1 1 A 28 28 LEU HA H 28 4.071 4.324 -0.253 1
1 270 . 8 1 1 A 28 28 LEU CB C 28 42.184 42.920 -0.736 1
1 283 . 8 1 1 A 28 28 LEU C C 28 177.159 176.548 0.611 1
1 284 . 8 1 1 A 29 29 GLU N N 29 115.740 117.150 -1.410 1
1 285 . 8 1 1 A 29 29 GLU H H 29 7.458 7.544 -0.086 1
1 286 . 8 1 1 A 29 29 GLU CA C 29 53.658 54.294 -0.636 1
1 287 . 8 1 1 A 29 29 GLU HA H 29 4.444 4.687 -0.243 1
1 288 . 8 1 1 A 29 29 GLU CB C 29 33.209 33.745 -0.536 1
1 294 . 8 1 1 A 29 29 GLU C C 29 174.417 174.901 -0.484 1
1 295 . 8 1 1 A 30 30 GLU N N 30 122.052 121.396 0.656 1
1 296 . 8 1 1 A 30 30 GLU H H 30 8.500 8.450 0.050 1
1 297 . 8 1 1 A 30 30 GLU CA C 30 57.621 57.211 0.410 1
1 298 . 8 1 1 A 30 30 GLU HA H 30 4.297 4.398 -0.101 1
1 299 . 8 1 1 A 30 30 GLU CB C 30 30.403 30.184 0.219 1
1 305 . 8 1 1 A 30 30 GLU C C 30 177.087 176.114 0.973 1
1 306 . 8 1 1 A 31 31 ILE N N 31 120.377 122.864 -2.487 1
1 307 . 8 1 1 A 31 31 ILE H H 31 8.828 8.252 0.576 1
1 308 . 8 1 1 A 31 31 ILE CA C 31 59.741 59.959 -0.218 1
1 309 . 8 1 1 A 31 31 ILE HA H 31 4.680 4.584 0.096 1
1 310 . 8 1 1 A 31 31 ILE CB C 31 40.845 40.036 0.809 1
1 323 . 8 1 1 A 31 31 ILE C C 31 175.776 177.290 -1.514 1
1 324 . 8 1 1 A 32 32 GLN N N 32 119.444 122.059 -2.615 1
1 325 . 8 1 1 A 32 32 GLN H H 32 8.668 8.629 0.039 1
1 326 . 8 1 1 A 32 32 GLN CA C 32 57.277 58.142 -0.865 1
1 327 . 8 1 1 A 32 32 GLN HA H 32 4.302 4.223 0.079 1
1 328 . 8 1 1 A 32 32 GLN CB C 32 30.079 29.627 0.452 1
1 337 . 8 1 1 A 32 32 GLN C C 32 175.824 175.567 0.257 1
1 338 . 8 1 1 A 33 33 ASP N N 33 113.908 115.438 -1.530 1
1 339 . 8 1 1 A 33 33 ASP H H 33 7.684 7.910 -0.226 1
1 340 . 8 1 1 A 33 33 ASP CA C 33 53.441 53.327 0.114 1
1 341 . 8 1 1 A 33 33 ASP HA H 33 4.754 4.913 -0.159 1
1 342 . 8 1 1 A 33 33 ASP CB C 33 43.727 43.908 -0.181 1
1 345 . 8 1 1 A 33 33 ASP C C 33 175.824 175.639 0.185 1
1 346 . 8 1 1 A 34 34 VAL N N 34 114.196 122.913 -8.717 1
1 347 . 8 1 1 A 34 34 VAL H H 34 8.640 8.719 -0.079 1
1 348 . 8 1 1 A 34 34 VAL CA C 34 64.836 65.091 -0.255 1
1 349 . 8 1 1 A 34 34 VAL HA H 34 3.910 3.873 0.037 1
1 350 . 8 1 1 A 34 34 VAL CB C 34 31.539 31.478 0.061 1
1 360 . 8 1 1 A 34 34 VAL C C 34 177.669 177.622 0.047 1
1 361 . 8 1 1 A 35 35 SER N N 35 120.001 116.567 3.434 1
1 362 . 8 1 1 A 35 35 SER H H 35 9.274 8.141 1.133 1
1 363 . 8 1 1 A 35 35 SER CA C 35 62.276 62.336 -0.060 1
1 364 . 8 1 1 A 35 35 SER HA H 35 4.448 4.378 0.070 1
1 365 . 8 1 1 A 35 35 SER CB C 35 62.255 63.089 -0.834 1
1 368 . 8 1 1 A 35 35 SER C C 35 177.305 176.649 0.656 1
1 369 . 8 1 1 A 36 36 CYS N N 36 120.840 120.168 0.672 1
1 370 . 8 1 1 A 36 36 CYS H H 36 7.894 8.238 -0.344 1
1 371 . 8 1 1 A 36 36 CYS CA C 36 62.416 63.219 -0.803 1
1 372 . 8 1 1 A 36 36 CYS HA H 36 4.310 4.285 0.025 1
1 373 . 8 1 1 A 36 36 CYS CB C 36 28.189 27.232 0.957 1
1 376 . 8 1 1 A 36 36 CYS C C 36 177.257 177.009 0.248 1
1 377 . 8 1 1 A 37 37 ALA N N 37 122.247 121.650 0.597 1
1 378 . 8 1 1 A 37 37 ALA H H 37 7.343 8.178 -0.835 1
1 379 . 8 1 1 A 37 37 ALA CA C 37 54.145 55.313 -1.168 1
1 380 . 8 1 1 A 37 37 ALA HA H 37 3.546 3.631 -0.085 1
1 381 . 8 1 1 A 37 37 ALA CB C 37 20.009 18.383 1.626 1
1 385 . 8 1 1 A 37 37 ALA C C 37 178.883 180.061 -1.178 1
1 386 . 8 1 1 A 38 38 TRP N N 38 117.352 118.740 -1.388 1
1 387 . 8 1 1 A 38 38 TRP H H 38 7.937 8.481 -0.544 1
1 388 . 8 1 1 A 38 38 TRP CA C 38 60.600 60.039 0.561 1
1 389 . 8 1 1 A 38 38 TRP HA H 38 4.276 4.416 -0.140 1
1 390 . 8 1 1 A 38 38 TRP CB C 38 29.693 29.107 0.586 1
1 405 . 8 1 1 A 38 38 TRP C C 38 178.664 179.239 -0.575 1
1 406 . 8 1 1 A 39 39 LYS N N 39 117.638 118.679 -1.041 1
1 407 . 8 1 1 A 39 39 LYS H H 39 8.102 7.980 0.122 1
1 408 . 8 1 1 A 39 39 LYS CA C 39 60.009 59.321 0.688 1
1 409 . 8 1 1 A 39 39 LYS HA H 39 4.031 3.991 0.040 1
1 410 . 8 1 1 A 39 39 LYS CB C 39 32.471 32.590 -0.119 1
1 421 . 8 1 1 A 39 39 LYS C C 39 178.713 178.706 0.007 1
1 422 . 8 1 1 A 40 40 GLU N N 40 120.486 120.391 0.095 1
1 423 . 8 1 1 A 40 40 GLU H H 40 6.821 7.936 -1.115 1
1 424 . 8 1 1 A 40 40 GLU CA C 40 58.486 59.144 -0.658 1
1 425 . 8 1 1 A 40 40 GLU HA H 40 4.350 4.054 0.296 1
1 426 . 8 1 1 A 40 40 GLU CB C 40 28.459 29.329 -0.870 1
1 432 . 8 1 1 A 40 40 GLU C C 40 178.543 179.239 -0.696 1
1 433 . 8 1 1 A 41 41 LEU N N 41 119.356 120.232 -0.876 1
1 434 . 8 1 1 A 41 41 LEU H H 41 8.291 8.375 -0.084 1
1 435 . 8 1 1 A 41 41 LEU CA C 41 59.002 58.071 0.931 1
1 436 . 8 1 1 A 41 41 LEU HA H 41 3.947 4.217 -0.270 1
1 437 . 8 1 1 A 41 41 LEU CB C 41 41.914 41.456 0.458 1
1 450 . 8 1 1 A 41 41 LEU C C 41 178.106 179.236 -1.130 1
1 451 . 8 1 1 A 42 42 ASN N N 42 113.310 116.788 -3.478 1
1 452 . 8 1 1 A 42 42 ASN H H 42 8.350 8.523 -0.173 1
1 453 . 8 1 1 A 42 42 ASN CA C 42 55.623 56.403 -0.780 1
1 454 . 8 1 1 A 42 42 ASN HA H 42 4.420 4.570 -0.150 1
1 455 . 8 1 1 A 42 42 ASN CB C 42 39.318 38.303 1.015 1
1 461 . 8 1 1 A 42 42 ASN C C 42 176.820 178.247 -1.427 1
1 462 . 8 1 1 A 43 43 ARG N N 43 117.734 119.435 -1.701 1
1 463 . 8 1 1 A 43 43 ARG H H 43 7.578 7.870 -0.292 1
1 464 . 8 1 1 A 43 43 ARG CA C 43 58.301 58.688 -0.387 1
1 465 . 8 1 1 A 43 43 ARG HA H 43 4.227 4.194 0.033 1
1 466 . 8 1 1 A 43 43 ARG CB C 43 31.361 30.769 0.592 1
1 475 . 8 1 1 A 43 43 ARG C C 43 178.106 177.770 0.336 1
1 476 . 8 1 1 A 44 44 LYS N N 44 115.502 116.335 -0.833 1
1 477 . 8 1 1 A 44 44 LYS H H 44 7.365 7.203 0.162 1
1 478 . 8 1 1 A 44 44 LYS CA C 44 55.367 56.806 -1.439 1
1 479 . 8 1 1 A 44 44 LYS HA H 44 4.280 4.327 -0.047 1
1 480 . 8 1 1 A 44 44 LYS CB C 44 34.289 32.728 1.561 1
1 491 . 8 1 1 A 44 44 LYS C C 44 176.504 176.404 0.100 1
1 492 . 8 1 1 A 45 45 LEU N N 45 118.486 120.320 -1.834 1
1 493 . 8 1 1 A 45 45 LEU H H 45 7.977 7.594 0.383 1
1 494 . 8 1 1 A 45 45 LEU CA C 45 53.335 53.128 0.207 1
1 495 . 8 1 1 A 45 45 LEU HA H 45 4.882 4.906 -0.024 1
1 496 . 8 1 1 A 45 45 LEU CB C 45 45.307 45.089 0.218 1
1 509 . 8 1 1 A 45 45 LEU C C 45 176.771 176.310 0.461 1
1 510 . 8 1 1 A 46 46 SER N N 46 116.809 118.136 -1.327 1
1 511 . 8 1 1 A 46 46 SER H H 46 9.074 8.918 0.156 1
1 512 . 8 1 1 A 46 46 SER CA C 46 57.981 58.439 -0.458 1
1 513 . 8 1 1 A 46 46 SER HA H 46 4.407 4.525 -0.118 1
1 514 . 8 1 1 A 46 46 SER CB C 46 64.496 64.081 0.415 1
1 517 . 8 1 1 A 46 46 SER C C 46 175.387 175.412 -0.025 1
1 518 . 8 1 1 A 47 47 SER N N 47 117.511 119.659 -2.148 1
1 519 . 8 1 1 A 47 47 SER H H 47 8.955 8.990 -0.035 1
1 520 . 8 1 1 A 47 47 SER CA C 47 61.523 61.865 -0.342 1
1 521 . 8 1 1 A 47 47 SER HA H 47 4.197 4.102 0.095 1
1 522 . 8 1 1 A 47 47 SER CB C 47 62.412 62.794 -0.382 1
1 525 . 8 1 1 A 48 48 ASN H H 48 8.475 7.940 0.535 1
1 526 . 8 1 1 A 48 48 ASN CA C 48 56.327 55.823 0.504 1
1 527 . 8 1 1 A 48 48 ASN HA H 48 4.421 4.454 -0.033 1
1 528 . 8 1 1 A 48 48 ASN CB C 48 38.635 38.658 -0.023 1
1 534 . 8 1 1 A 48 48 ASN C C 48 177.232 177.749 -0.517 1
1 535 . 8 1 1 A 49 49 ALA N N 49 123.504 122.133 1.371 1
1 536 . 8 1 1 A 49 49 ALA H H 49 7.837 8.175 -0.338 1
1 537 . 8 1 1 A 49 49 ALA CA C 49 55.271 55.294 -0.023 1
1 538 . 8 1 1 A 49 49 ALA HA H 49 4.171 4.039 0.132 1
1 539 . 8 1 1 A 49 49 ALA CB C 49 19.301 18.312 0.989 1
1 543 . 8 1 1 A 49 49 ALA C C 49 179.830 179.959 -0.129 1
1 544 . 8 1 1 A 50 50 VAL N N 50 115.694 116.863 -1.169 1
1 545 . 8 1 1 A 50 50 VAL H H 50 8.069 8.403 -0.334 1
1 546 . 8 1 1 A 50 50 VAL CA C 50 65.728 64.860 0.868 1
1 547 . 8 1 1 A 50 50 VAL HA H 50 3.645 3.790 -0.145 1
1 548 . 8 1 1 A 50 50 VAL CB C 50 31.836 31.376 0.460 1
1 558 . 8 1 1 A 50 50 VAL C C 50 178.567 177.549 1.018 1
1 559 . 8 1 1 A 51 51 SER N N 51 114.048 117.464 -3.416 1
1 560 . 8 1 1 A 51 51 SER H H 51 7.849 7.872 -0.023 1
1 561 . 8 1 1 A 51 51 SER CA C 51 60.756 60.920 -0.164 1
1 562 . 8 1 1 A 51 51 SER HA H 51 4.334 4.303 0.031 1
1 563 . 8 1 1 A 51 51 SER CB C 51 63.383 63.139 0.244 1
1 565 . 8 1 1 A 51 51 SER C C 51 174.635 176.116 -1.481 1
1 566 . 8 1 1 A 52 52 GLN N N 52 118.482 117.882 0.600 1
1 567 . 8 1 1 A 52 52 GLN H H 52 7.564 7.867 -0.303 1
1 568 . 8 1 1 A 52 52 GLN CA C 52 55.306 57.233 -1.927 1
1 569 . 8 1 1 A 52 52 GLN HA H 52 4.389 4.434 -0.045 1
1 570 . 8 1 1 A 52 52 GLN CB C 52 29.217 29.070 0.147 1
1 579 . 8 1 1 A 52 52 GLN C C 52 175.315 176.811 -1.496 1
1 580 . 8 1 1 A 53 53 ILE N N 53 119.847 121.829 -1.982 1
1 581 . 8 1 1 A 53 53 ILE H H 53 7.281 7.166 0.115 1
1 582 . 8 1 1 A 53 53 ILE CA C 53 62.903 62.353 0.550 1
1 583 . 8 1 1 A 53 53 ILE HA H 53 4.417 4.052 0.365 1
1 584 . 8 1 1 A 53 53 ILE CB C 53 38.124 38.044 0.080 1
1 597 . 8 1 1 A 53 53 ILE C C 53 176.383 175.938 0.445 1
1 598 . 8 1 1 A 54 54 THR N N 54 120.582 117.618 2.964 1
1 599 . 8 1 1 A 54 54 THR H H 54 9.046 8.657 0.389 1
1 600 . 8 1 1 A 54 54 THR CA C 54 59.846 59.648 0.198 1
1 601 . 8 1 1 A 54 54 THR HA H 54 4.834 4.981 -0.147 1
1 602 . 8 1 1 A 54 54 THR CB C 54 71.904 72.037 -0.133 1
1 608 . 8 1 1 A 54 54 THR C C 54 172.135 173.186 -1.051 1
1 609 . 8 1 1 A 55 55 ARG N N 55 118.375 123.735 -5.360 1
1 610 . 8 1 1 A 55 55 ARG H H 55 8.511 8.741 -0.230 1
1 611 . 8 1 1 A 55 55 ARG CA C 55 57.312 56.974 0.338 1
1 612 . 8 1 1 A 55 55 ARG HA H 55 3.782 3.787 -0.005 1
1 613 . 8 1 1 A 55 55 ARG CB C 55 28.704 28.465 0.239 1
1 622 . 8 1 1 A 55 55 ARG C C 55 174.684 174.910 -0.226 1
1 623 . 8 1 1 A 56 56 MET N N 56 118.525 117.165 1.360 1
1 624 . 8 1 1 A 56 56 MET H H 56 8.279 7.966 0.313 1
1 625 . 8 1 1 A 56 56 MET CA C 56 55.799 55.335 0.464 1
1 626 . 8 1 1 A 56 56 MET HA H 56 5.188 4.635 0.553 1
1 627 . 8 1 1 A 56 56 MET CB C 56 33.062 33.148 -0.086 1
1 637 . 8 1 1 A 56 56 MET C C 56 177.572 174.931 2.641 1
1 638 . 8 1 1 A 57 57 CYS N N 57 126.541 124.523 2.018 1
1 639 . 8 1 1 A 57 57 CYS H H 57 9.340 9.104 0.236 1
1 640 . 8 1 1 A 57 57 CYS CA C 57 57.171 57.756 -0.585 1
1 641 . 8 1 1 A 57 57 CYS HA H 57 4.794 5.136 -0.342 1
1 642 . 8 1 1 A 57 57 CYS CB C 57 31.161 32.561 -1.400 1
1 645 . 8 1 1 A 57 57 CYS C C 57 173.057 173.700 -0.643 1
1 646 . 8 1 1 A 58 58 LEU N N 58 123.786 123.264 0.522 1
1 647 . 8 1 1 A 58 58 LEU H H 58 8.682 8.371 0.311 1
1 648 . 8 1 1 A 58 58 LEU CA C 58 55.975 54.475 1.500 1
1 649 . 8 1 1 A 58 58 LEU HA H 58 4.520 4.426 0.094 1
1 650 . 8 1 1 A 58 58 LEU CB C 58 43.097 42.244 0.853 1
1 663 . 8 1 1 A 58 58 LEU C C 58 177.960 177.284 0.676 1
1 664 . 8 1 1 A 59 59 LEU N N 59 124.007 125.079 -1.072 1
1 665 . 8 1 1 A 59 59 LEU H H 59 8.269 8.446 -0.177 1
1 666 . 8 1 1 A 59 59 LEU CA C 59 54.156 54.635 -0.479 1
1 667 . 8 1 1 A 59 59 LEU HA H 59 4.261 4.323 -0.062 1
1 668 . 8 1 1 A 59 59 LEU CB C 59 42.986 42.263 0.723 1
1 681 . 8 1 1 A 59 59 LEU C C 59 177.645 176.463 1.182 1
1 682 . 8 1 1 A 60 60 LYS N N 60 122.593 122.539 0.054 1
1 683 . 8 1 1 A 60 60 LYS H H 60 8.458 8.612 -0.154 1
1 684 . 8 1 1 A 60 60 LYS CA C 60 58.263 58.184 0.079 1
1 685 . 8 1 1 A 60 60 LYS HA H 60 4.101 3.942 0.159 1
1 686 . 8 1 1 A 60 60 LYS CB C 60 31.732 32.065 -0.333 1
1 696 . 8 1 1 A 60 60 LYS C C 60 178.422 177.306 1.116 1
1 697 . 8 1 1 A 61 61 GLY H H 61 9.070 8.679 0.391 1
1 698 . 8 1 1 A 61 61 GLY CA C 61 45.355 45.145 0.210 1
1 699 . 8 1 1 A 61 61 GLY HA2 H 61 3.641 3.926 -0.285 1
1 700 . 8 1 1 A 61 61 GLY HA3 H 61 4.223 3.929 0.294 1
1 701 . 8 1 1 A 61 61 GLY C C 61 173.907 174.913 -1.006 1
1 702 . 8 1 1 A 62 62 ASN N N 62 112.617 113.444 -0.827 1
1 703 . 8 1 1 A 62 62 ASN H H 62 8.639 8.001 0.638 1
1 704 . 8 1 1 A 62 62 ASN CA C 62 55.115 54.720 0.395 1
1 705 . 8 1 1 A 62 62 ASN HA H 62 4.208 4.448 -0.240 1
1 706 . 8 1 1 A 62 62 ASN CB C 62 36.133 37.329 -1.196 1
1 712 . 8 1 1 A 62 62 ASN C C 62 173.810 174.937 -1.127 1
1 713 . 8 1 1 A 63 63 MET N N 63 114.254 117.723 -3.469 1
1 714 . 8 1 1 A 63 63 MET H H 63 7.967 8.069 -0.102 1
1 715 . 8 1 1 A 63 63 MET CA C 63 53.229 55.750 -2.521 1
1 716 . 8 1 1 A 63 63 MET HA H 63 4.908 4.503 0.405 1
1 717 . 8 1 1 A 63 63 MET CB C 63 29.363 33.764 -4.401 1
1 727 . 8 1 1 A 63 63 MET C C 63 175.436 175.867 -0.431 1
1 728 . 8 1 1 A 64 64 GLY N N 64 102.826 107.340 -4.514 1
1 729 . 8 1 1 A 64 64 GLY H H 64 7.039 7.486 -0.447 1
1 730 . 8 1 1 A 64 64 GLY CA C 64 45.381 45.959 -0.578 1
1 731 . 8 1 1 A 64 64 GLY HA2 H 64 4.902 4.095 0.807 1
1 732 . 8 1 1 A 64 64 GLY HA3 H 64 4.026 4.151 -0.125 1
1 733 . 8 1 1 A 64 64 GLY C C 64 171.868 171.217 0.651 1
1 734 . 8 1 1 A 65 65 VAL N N 65 110.602 115.890 -5.288 1
1 735 . 8 1 1 A 65 65 VAL H H 65 8.994 8.701 0.293 1
1 736 . 8 1 1 A 65 65 VAL CA C 65 58.892 59.001 -0.109 1
1 737 . 8 1 1 A 65 65 VAL HA H 65 5.511 5.068 0.443 1
1 738 . 8 1 1 A 65 65 VAL CB C 65 36.392 35.952 0.440 1
1 748 . 8 1 1 A 65 65 VAL C C 65 174.319 174.197 0.122 1
1 749 . 8 1 1 A 66 66 CYS N N 66 115.721 120.905 -5.184 1
1 750 . 8 1 1 A 66 66 CYS H H 66 9.175 9.326 -0.151 1
1 751 . 8 1 1 A 66 66 CYS CA C 66 54.912 57.041 -2.129 1
1 752 . 8 1 1 A 66 66 CYS HA H 66 5.590 5.266 0.324 1
1 753 . 8 1 1 A 66 66 CYS CB C 66 31.672 30.733 0.939 1
1 756 . 8 1 1 A 66 66 CYS C C 66 171.941 173.494 -1.553 1
1 757 . 8 1 1 A 67 67 PHE N N 67 114.941 118.439 -3.498 1
1 758 . 8 1 1 A 67 67 PHE H H 67 8.220 8.509 -0.289 1
1 759 . 8 1 1 A 67 67 PHE CA C 67 56.468 55.752 0.716 1
1 760 . 8 1 1 A 67 67 PHE HA H 67 4.879 5.367 -0.488 1
1 761 . 8 1 1 A 67 67 PHE CB C 67 39.366 41.541 -2.175 1
1 774 . 8 1 1 A 67 67 PHE C C 67 171.552 171.902 -0.350 1
1 775 . 8 1 1 A 68 68 ASP N N 68 119.507 119.401 0.106 1
1 776 . 8 1 1 A 68 68 ASP H H 68 9.072 9.074 -0.002 1
1 777 . 8 1 1 A 68 68 ASP CA C 68 52.737 53.063 -0.326 1
1 778 . 8 1 1 A 68 68 ASP HA H 68 5.901 5.801 0.100 1
1 779 . 8 1 1 A 68 68 ASP CB C 68 42.545 44.287 -1.742 1
1 782 . 8 1 1 A 68 68 ASP C C 68 176.116 175.108 1.008 1
1 783 . 8 1 1 A 69 69 VAL N N 69 114.937 116.116 -1.179 1
1 784 . 8 1 1 A 69 69 VAL H H 69 8.819 9.127 -0.308 1
1 785 . 8 1 1 A 69 69 VAL CA C 69 58.051 58.049 0.002 1
1 786 . 8 1 1 A 69 69 VAL HA H 69 5.205 4.734 0.471 1
1 787 . 8 1 1 A 69 69 VAL CB C 69 35.698 35.175 0.523 1
1 797 . 8 1 1 A 69 69 VAL C C 69 173.154 172.539 0.615 1
1 798 . 8 1 1 A 70 70 PRO CA C 70 62.946 61.404 1.542 1
1 799 . 8 1 1 A 70 70 PRO HA H 70 4.479 3.472 1.007 1
1 800 . 8 1 1 A 70 70 PRO CB C 70 32.255 32.245 0.010 1
1 809 . 8 1 1 A 70 70 PRO C C 70 178.737 177.408 1.329 1
1 810 . 8 1 1 A 71 71 THR N N 71 119.743 116.367 3.376 1
1 811 . 8 1 1 A 71 71 THR H H 71 8.401 8.352 0.049 1
1 812 . 8 1 1 A 71 71 THR CA C 71 66.415 65.037 1.378 1
1 813 . 8 1 1 A 71 71 THR HA H 71 3.761 3.864 -0.103 1
1 814 . 8 1 1 A 71 71 THR CB C 71 68.476 68.488 -0.012 1
1 820 . 8 1 1 A 71 71 THR C C 71 176.965 175.916 1.049 1
1 821 . 8 1 1 A 72 72 THR N N 72 109.724 116.318 -6.594 1
1 822 . 8 1 1 A 72 72 THR H H 72 7.747 7.965 -0.218 1
1 823 . 8 1 1 A 72 72 THR CA C 72 64.100 66.617 -2.517 1
1 824 . 8 1 1 A 72 72 THR HA H 72 4.120 3.970 0.150 1
1 825 . 8 1 1 A 72 72 THR CB C 72 68.471 68.371 0.100 1
1 831 . 8 1 1 A 72 72 THR C C 72 175.849 176.284 -0.435 1
1 832 . 8 1 1 A 73 73 GLU N N 73 118.626 120.815 -2.189 1
1 833 . 8 1 1 A 73 73 GLU H H 73 7.767 7.712 0.055 1
1 834 . 8 1 1 A 73 73 GLU CA C 73 55.623 58.761 -3.138 1
1 835 . 8 1 1 A 73 73 GLU HA H 73 4.587 4.133 0.454 1
1 836 . 8 1 1 A 73 73 GLU CB C 73 30.542 29.160 1.382 1
1 842 . 8 1 1 A 73 73 GLU C C 73 177.257 178.788 -1.531 1
1 843 . 8 1 1 A 74 74 SER N N 74 114.932 115.542 -0.610 1
1 844 . 8 1 1 A 74 74 SER H H 74 7.442 7.910 -0.468 1
1 845 . 8 1 1 A 74 74 SER CA C 74 62.099 61.089 1.010 1
1 846 . 8 1 1 A 74 74 SER HA H 74 3.938 4.188 -0.250 1
1 847 . 8 1 1 A 74 74 SER CB C 74 63.067 62.621 0.446 1
1 850 . 8 1 1 A 74 74 SER C C 74 176.528 177.124 -0.596 1
1 851 . 8 1 1 A 75 75 GLU N N 75 120.907 122.479 -1.572 1
1 852 . 8 1 1 A 75 75 GLU H H 75 8.350 8.066 0.284 1
1 853 . 8 1 1 A 75 75 GLU CA C 75 59.706 59.498 0.208 1
1 854 . 8 1 1 A 75 75 GLU HA H 75 4.045 4.213 -0.168 1
1 855 . 8 1 1 A 75 75 GLU CB C 75 29.085 29.362 -0.277 1
1 861 . 8 1 1 A 75 75 GLU C C 75 179.320 179.350 -0.030 1
1 862 . 8 1 1 A 76 76 ARG N N 76 121.343 118.973 2.370 1
1 863 . 8 1 1 A 76 76 ARG H H 76 7.948 7.819 0.129 1
1 864 . 8 1 1 A 76 76 ARG CA C 76 59.188 58.879 0.309 1
1 865 . 8 1 1 A 76 76 ARG HA H 76 4.094 4.167 -0.073 1
1 866 . 8 1 1 A 76 76 ARG CB C 76 29.726 29.921 -0.195 1
1 875 . 8 1 1 A 76 76 ARG C C 76 178.373 178.589 -0.216 1
1 876 . 8 1 1 A 77 77 LEU N N 77 120.110 120.062 0.048 1
1 877 . 8 1 1 A 77 77 LEU H H 77 8.029 8.465 -0.436 1
1 878 . 8 1 1 A 77 77 LEU CA C 77 59.809 58.145 1.664 1
1 879 . 8 1 1 A 77 77 LEU HA H 77 3.975 4.034 -0.059 1
1 880 . 8 1 1 A 77 77 LEU CB C 77 42.216 41.288 0.928 1
1 893 . 8 1 1 A 77 77 LEU C C 77 178.810 179.566 -0.756 1
1 894 . 8 1 1 A 78 78 GLN N N 78 114.090 118.040 -3.950 1
1 895 . 8 1 1 A 78 78 GLN H H 78 7.680 8.441 -0.761 1
1 896 . 8 1 1 A 78 78 GLN CA C 78 59.600 58.650 0.950 1
1 897 . 8 1 1 A 78 78 GLN HA H 78 3.915 4.084 -0.169 1
1 898 . 8 1 1 A 78 78 GLN CB C 78 30.101 28.187 1.914 1
1 907 . 8 1 1 A 78 78 GLN C C 78 178.325 178.063 0.262 1
1 908 . 8 1 1 A 79 79 ALA N N 79 119.863 121.861 -1.998 1
1 909 . 8 1 1 A 79 79 ALA H H 79 7.900 8.020 -0.120 1
1 910 . 8 1 1 A 79 79 ALA CA C 79 54.321 54.252 0.069 1
1 911 . 8 1 1 A 79 79 ALA HA H 79 4.255 4.365 -0.110 1
1 912 . 8 1 1 A 79 79 ALA CB C 79 18.596 18.699 -0.103 1
1 916 . 8 1 1 A 79 79 ALA C C 79 179.514 179.089 0.425 1
1 917 . 8 1 1 A 80 80 GLU N N 80 115.847 115.325 0.522 1
1 918 . 8 1 1 A 80 80 GLU H H 80 7.773 7.991 -0.218 1
1 919 . 8 1 1 A 80 80 GLU CA C 80 57.312 57.302 0.010 1
1 920 . 8 1 1 A 80 80 GLU HA H 80 4.286 4.449 -0.163 1
1 921 . 8 1 1 A 80 80 GLU CB C 80 31.095 30.525 0.570 1
1 927 . 8 1 1 A 80 80 GLU C C 80 176.965 177.142 -0.177 1
1 928 . 8 1 1 A 81 81 TRP N N 81 122.132 123.226 -1.094 1
1 929 . 8 1 1 A 81 81 TRP H H 81 7.661 7.726 -0.065 1
1 930 . 8 1 1 A 81 81 TRP CA C 81 58.641 55.983 2.658 1
1 931 . 8 1 1 A 81 81 TRP HA H 81 4.261 4.761 -0.500 1
1 932 . 8 1 1 A 81 81 TRP CB C 81 29.118 29.138 -0.020 1
1 947 . 8 1 1 A 81 81 TRP C C 81 174.611 175.358 -0.747 1
1 948 . 8 1 1 A 82 82 HIS CA C 82 54.101 54.631 -0.530 1
1 949 . 8 1 1 A 82 82 HIS HA H 82 4.727 4.844 -0.117 1
1 950 . 8 1 1 A 82 82 HIS CB C 82 30.847 33.237 -2.390 1
1 957 . 8 1 1 A 83 83 ASP CA C 83 54.997 55.605 -0.608 1
1 958 . 8 1 1 A 83 83 ASP HA H 83 4.342 4.127 0.215 1
1 959 . 8 1 1 A 83 83 ASP CB C 83 40.395 39.663 0.732 1
1 962 . 8 1 1 A 83 83 ASP C C 83 174.198 174.660 -0.462 1
1 963 . 8 1 1 A 84 84 SER N N 84 111.986 114.364 -2.378 1
1 964 . 8 1 1 A 84 84 SER H H 84 7.863 7.418 0.445 1
1 965 . 8 1 1 A 84 84 SER CA C 84 56.714 55.950 0.764 1
1 966 . 8 1 1 A 84 84 SER HA H 84 4.584 4.718 -0.134 1
1 967 . 8 1 1 A 84 84 SER CB C 84 64.374 64.968 -0.594 1
1 970 . 8 1 1 A 84 84 SER C C 84 174.489 173.505 0.984 1
1 971 . 8 1 1 A 85 85 ASP N N 85 125.547 121.917 3.630 1
1 972 . 8 1 1 A 85 85 ASP H H 85 9.268 8.683 0.585 1
1 973 . 8 1 1 A 85 85 ASP CA C 85 55.447 54.401 1.046 1
1 974 . 8 1 1 A 85 85 ASP HA H 85 4.704 5.000 -0.296 1
1 975 . 8 1 1 A 85 85 ASP CB C 85 40.980 42.303 -1.323 1
1 978 . 8 1 1 A 85 85 ASP C C 85 177.038 175.582 1.456 1
1 979 . 8 1 1 A 86 86 TRP N N 86 121.831 119.917 1.914 1
1 980 . 8 1 1 A 86 86 TRP H H 86 9.345 8.002 1.343 1
1 981 . 8 1 1 A 86 86 TRP CA C 86 56.967 56.837 0.130 1
1 982 . 8 1 1 A 86 86 TRP HA H 86 5.091 5.135 -0.044 1
1 983 . 8 1 1 A 86 86 TRP CB C 86 29.118 31.198 -2.080 1
1 998 . 8 1 1 A 86 86 TRP C C 86 176.723 176.401 0.322 1
1 999 . 8 1 1 A 87 87 ILE N N 87 123.116 124.606 -1.490 1
1 1000 . 8 1 1 A 87 87 ILE H H 87 8.965 8.436 0.529 1
1 1001 . 8 1 1 A 87 87 ILE CA C 87 60.595 61.414 -0.819 1
1 1002 . 8 1 1 A 87 87 ILE HA H 87 4.462 4.487 -0.025 1
1 1003 . 8 1 1 A 87 87 ILE CB C 87 40.354 37.928 2.426 1
1 1016 . 8 1 1 A 87 87 ILE C C 87 175.824 175.250 0.574 1
1 1017 . 8 1 1 A 88 88 LEU N N 88 134.475 130.800 3.675 1
1 1018 . 8 1 1 A 88 88 LEU H H 88 8.736 9.025 -0.289 1
1 1019 . 8 1 1 A 88 88 LEU CA C 88 53.763 53.475 0.288 1
1 1020 . 8 1 1 A 88 88 LEU HA H 88 5.163 4.827 0.336 1
1 1021 . 8 1 1 A 88 88 LEU CB C 88 43.020 43.904 -0.884 1
1 1034 . 8 1 1 A 88 88 LEU C C 88 175.824 174.993 0.831 1
1 1035 . 8 1 1 A 89 89 SER N N 89 122.016 123.735 -1.719 1
1 1036 . 8 1 1 A 89 89 SER H H 89 9.152 8.730 0.422 1
1 1037 . 8 1 1 A 89 89 SER CA C 89 57.242 57.535 -0.293 1
1 1038 . 8 1 1 A 89 89 SER HA H 89 4.739 5.218 -0.479 1
1 1039 . 8 1 1 A 89 89 SER CB C 89 65.526 66.432 -0.906 1
1 1042 . 8 1 1 A 89 89 SER C C 89 171.989 172.658 -0.669 1
1 1043 . 8 1 1 A 90 90 VAL N N 90 119.844 121.562 -1.718 1
1 1044 . 8 1 1 A 90 90 VAL H H 90 8.220 8.603 -0.383 1
1 1045 . 8 1 1 A 90 90 VAL CA C 90 59.143 59.089 0.054 1
1 1046 . 8 1 1 A 90 90 VAL HA H 90 4.604 4.533 0.071 1
1 1047 . 8 1 1 A 90 90 VAL CB C 90 33.056 32.926 0.130 1
1 1057 . 8 1 1 A 90 90 VAL C C 90 174.198 174.053 0.145 1
1 1058 . 8 1 1 A 91 91 PRO CA C 91 63.467 62.648 0.819 1
1 1059 . 8 1 1 A 91 91 PRO HA H 91 4.329 4.763 -0.434 1
1 1060 . 8 1 1 A 91 91 PRO CB C 91 32.003 33.599 -1.596 1
1 1069 . 8 1 1 A 91 91 PRO C C 91 175.557 175.635 -0.078 1
1 1 . 9 1 1 A 6 6 SER CA C 6 58.720 60.528 -1.808 1
1 2 . 9 1 1 A 6 6 SER HA H 6 4.456 4.149 0.307 1
1 3 . 9 1 1 A 6 6 SER CB C 6 63.880 61.928 1.952 1
1 6 . 9 1 1 A 6 6 SER C C 6 174.951 173.029 1.922 1
1 7 . 9 1 1 A 7 7 GLY N N 7 110.558 109.155 1.403 1
1 8 . 9 1 1 A 7 7 GLY H H 7 8.377 8.337 0.040 1
1 9 . 9 1 1 A 7 7 GLY CA C 7 45.205 45.233 -0.028 1
1 10 . 9 1 1 A 7 7 GLY HA2 H 7 3.879 3.932 -0.053 1
1 11 . 9 1 1 A 7 7 GLY HA3 H 7 3.910 4.030 -0.120 1
1 12 . 9 1 1 A 7 7 GLY C C 7 173.615 171.010 2.605 1
1 13 . 9 1 1 A 8 8 PHE N N 8 119.857 119.382 0.475 1
1 14 . 9 1 1 A 8 8 PHE H H 8 8.062 8.646 -0.584 1
1 15 . 9 1 1 A 8 8 PHE CA C 8 57.418 56.213 1.205 1
1 16 . 9 1 1 A 8 8 PHE HA H 8 4.624 5.142 -0.518 1
1 17 . 9 1 1 A 8 8 PHE CB C 8 39.749 41.583 -1.834 1
1 30 . 9 1 1 A 8 8 PHE C C 8 175.242 174.714 0.528 1
1 31 . 9 1 1 A 9 9 GLU N N 9 124.807 122.301 2.506 1
1 32 . 9 1 1 A 9 9 GLU H H 9 8.311 9.046 -0.735 1
1 33 . 9 1 1 A 9 9 GLU CA C 9 54.034 53.650 0.384 1
1 34 . 9 1 1 A 9 9 GLU HA H 9 4.546 5.084 -0.538 1
1 35 . 9 1 1 A 9 9 GLU CB C 9 29.859 29.892 -0.033 1
1 40 . 9 1 1 A 9 9 GLU C C 9 174.125 175.284 -1.159 1
1 41 . 9 1 1 A 10 10 PRO CA C 10 63.366 62.843 0.523 1
1 42 . 9 1 1 A 10 10 PRO HA H 10 4.334 4.639 -0.305 1
1 43 . 9 1 1 A 10 10 PRO CB C 10 32.033 32.422 -0.389 1
1 52 . 9 1 1 A 10 10 PRO C C 10 177.062 175.981 1.081 1
1 53 . 9 1 1 A 11 11 ARG N N 11 120.726 121.384 -0.658 1
1 54 . 9 1 1 A 11 11 ARG H H 11 8.477 8.402 0.075 1
1 55 . 9 1 1 A 11 11 ARG CA C 11 56.175 54.514 1.661 1
1 56 . 9 1 1 A 11 11 ARG HA H 11 4.318 4.805 -0.487 1
1 57 . 9 1 1 A 11 11 ARG CB C 11 30.831 32.972 -2.141 1
1 66 . 9 1 1 A 11 11 ARG C C 11 176.455 175.741 0.714 1
1 67 . 9 1 1 A 12 12 SER N N 12 116.599 118.253 -1.654 1
1 68 . 9 1 1 A 12 12 SER H H 12 8.289 9.025 -0.736 1
1 69 . 9 1 1 A 12 12 SER CA C 12 58.330 59.292 -0.962 1
1 70 . 9 1 1 A 12 12 SER HA H 12 4.396 4.514 -0.118 1
1 71 . 9 1 1 A 12 12 SER CB C 12 63.633 63.974 -0.341 1
1 74 . 9 1 1 A 12 12 SER C C 12 174.465 174.327 0.138 1
1 75 . 9 1 1 A 13 13 LEU N N 13 124.186 125.898 -1.712 1
1 76 . 9 1 1 A 13 13 LEU H H 13 8.275 8.881 -0.606 1
1 77 . 9 1 1 A 13 13 LEU CA C 13 55.306 55.990 -0.684 1
1 78 . 9 1 1 A 13 13 LEU HA H 13 4.361 4.549 -0.188 1
1 79 . 9 1 1 A 13 13 LEU CB C 13 42.350 45.376 -3.026 1
1 92 . 9 1 1 A 13 13 LEU C C 13 177.184 177.547 -0.363 1
1 93 . 9 1 1 A 14 14 ILE N N 14 121.445 113.311 8.134 1
1 94 . 9 1 1 A 14 14 ILE H H 14 8.106 7.594 0.512 1
1 95 . 9 1 1 A 14 14 ILE CA C 14 61.248 60.030 1.218 1
1 96 . 9 1 1 A 14 14 ILE HA H 14 4.202 4.501 -0.299 1
1 97 . 9 1 1 A 14 14 ILE CB C 14 38.555 38.324 0.231 1
1 110 . 9 1 1 A 14 14 ILE C C 14 176.528 175.826 0.702 1
1 111 . 9 1 1 A 15 15 THR N N 15 118.053 119.524 -1.471 1
1 112 . 9 1 1 A 15 15 THR H H 15 8.226 7.398 0.828 1
1 113 . 9 1 1 A 15 15 THR CA C 15 61.573 63.135 -1.562 1
1 114 . 9 1 1 A 15 15 THR HA H 15 4.401 4.271 0.130 1
1 115 . 9 1 1 A 15 15 THR CB C 15 69.795 69.397 0.398 1
1 121 . 9 1 1 A 15 15 THR C C 15 174.538 173.736 0.802 1
1 122 . 9 1 1 A 16 16 SER N N 16 117.877 118.509 -0.632 1
1 123 . 9 1 1 A 16 16 SER H H 16 8.272 8.650 -0.378 1
1 124 . 9 1 1 A 16 16 SER CA C 16 55.830 57.634 -1.804 1
1 125 . 9 1 1 A 16 16 SER HA H 16 4.448 5.091 -0.643 1
1 126 . 9 1 1 A 16 16 SER CB C 16 63.880 66.075 -2.195 1
1 129 . 9 1 1 A 16 16 SER C C 16 174.247 171.863 2.384 1
1 130 . 9 1 1 A 17 17 ASP N N 17 122.892 120.990 1.902 1
1 131 . 9 1 1 A 17 17 ASP H H 17 8.425 8.688 -0.263 1
1 132 . 9 1 1 A 17 17 ASP CA C 17 54.461 53.110 1.351 1
1 133 . 9 1 1 A 17 17 ASP HA H 17 4.611 5.511 -0.900 1
1 134 . 9 1 1 A 17 17 ASP CB C 17 41.340 44.134 -2.794 1
1 137 . 9 1 1 A 17 17 ASP C C 17 176.358 175.213 1.145 1
1 138 . 9 1 1 A 18 18 LYS N N 18 121.459 117.871 3.588 1
1 139 . 9 1 1 A 18 18 LYS H H 18 8.349 8.736 -0.387 1
1 140 . 9 1 1 A 18 18 LYS CA C 18 56.526 55.313 1.213 1
1 141 . 9 1 1 A 18 18 LYS HA H 18 4.356 4.602 -0.246 1
1 142 . 9 1 1 A 18 18 LYS CB C 18 32.744 33.801 -1.057 1
1 152 . 9 1 1 A 18 18 LYS C C 18 177.305 176.223 1.082 1
1 153 . 9 1 1 A 19 19 GLY N N 19 109.072 108.705 0.367 1
1 154 . 9 1 1 A 19 19 GLY H H 19 8.533 7.505 1.028 1
1 155 . 9 1 1 A 19 19 GLY CA C 19 45.451 45.697 -0.246 1
1 156 . 9 1 1 A 19 19 GLY HA2 H 19 3.884 4.022 -0.138 1
1 157 . 9 1 1 A 19 19 GLY HA3 H 19 3.960 4.136 -0.176 1
1 158 . 9 1 1 A 19 19 GLY C C 19 174.028 174.144 -0.116 1
1 159 . 9 1 1 A 20 20 PHE N N 20 119.395 120.311 -0.916 1
1 160 . 9 1 1 A 20 20 PHE H H 20 8.014 8.549 -0.535 1
1 161 . 9 1 1 A 20 20 PHE CA C 20 56.992 57.172 -0.180 1
1 162 . 9 1 1 A 20 20 PHE HA H 20 5.166 5.227 -0.061 1
1 163 . 9 1 1 A 20 20 PHE CB C 20 43.122 42.777 0.345 1
1 176 . 9 1 1 A 20 20 PHE C C 20 174.247 174.513 -0.266 1
1 177 . 9 1 1 A 21 21 VAL N N 21 119.613 117.477 2.136 1
1 178 . 9 1 1 A 21 21 VAL H H 21 9.282 9.114 0.168 1
1 179 . 9 1 1 A 21 21 VAL CA C 21 60.286 60.354 -0.068 1
1 180 . 9 1 1 A 21 21 VAL HA H 21 4.403 4.764 -0.361 1
1 181 . 9 1 1 A 21 21 VAL CB C 21 35.624 35.682 -0.058 1
1 191 . 9 1 1 A 21 21 VAL C C 21 174.077 174.547 -0.470 1
1 192 . 9 1 1 A 22 22 THR N N 22 123.150 121.696 1.454 1
1 193 . 9 1 1 A 22 22 THR H H 22 8.226 8.801 -0.575 1
1 194 . 9 1 1 A 22 22 THR CA C 22 61.672 62.048 -0.376 1
1 195 . 9 1 1 A 22 22 THR HA H 22 5.214 4.571 0.643 1
1 196 . 9 1 1 A 22 22 THR CB C 22 69.636 70.030 -0.394 1
1 202 . 9 1 1 A 22 22 THR C C 22 174.319 173.562 0.757 1
1 203 . 9 1 1 A 23 23 MET N N 23 125.701 121.408 4.293 1
1 204 . 9 1 1 A 23 23 MET H H 23 9.254 8.861 0.393 1
1 205 . 9 1 1 A 23 23 MET CA C 23 54.250 53.846 0.404 1
1 206 . 9 1 1 A 23 23 MET HA H 23 4.680 4.863 -0.183 1
1 207 . 9 1 1 A 23 23 MET CB C 23 34.967 36.563 -1.596 1
1 217 . 9 1 1 A 23 23 MET C C 23 174.028 174.690 -0.662 1
1 218 . 9 1 1 A 24 24 THR N N 24 109.251 114.983 -5.732 1
1 219 . 9 1 1 A 24 24 THR H H 24 8.410 8.441 -0.031 1
1 220 . 9 1 1 A 24 24 THR CA C 24 59.952 61.160 -1.208 1
1 221 . 9 1 1 A 24 24 THR HA H 24 4.838 4.971 -0.133 1
1 222 . 9 1 1 A 24 24 THR CB C 24 71.427 72.532 -1.105 1
1 228 . 9 1 1 A 24 24 THR C C 24 172.353 173.113 -0.760 1
1 229 . 9 1 1 A 25 25 LEU N N 25 125.384 126.493 -1.109 1
1 230 . 9 1 1 A 25 25 LEU H H 25 8.901 9.116 -0.215 1
1 231 . 9 1 1 A 25 25 LEU CA C 25 53.373 54.004 -0.631 1
1 232 . 9 1 1 A 25 25 LEU HA H 25 5.333 4.967 0.366 1
1 233 . 9 1 1 A 25 25 LEU CB C 25 45.607 45.243 0.364 1
1 246 . 9 1 1 A 25 25 LEU C C 25 175.606 175.093 0.513 1
1 247 . 9 1 1 A 26 26 GLU N N 26 125.482 126.766 -1.284 1
1 248 . 9 1 1 A 26 26 GLU H H 26 9.147 9.167 -0.020 1
1 249 . 9 1 1 A 26 26 GLU CA C 26 56.010 55.455 0.555 1
1 250 . 9 1 1 A 26 26 GLU HA H 26 4.922 4.722 0.200 1
1 251 . 9 1 1 A 26 26 GLU CB C 26 33.588 30.850 2.738 1
1 257 . 9 1 1 A 26 26 GLU C C 26 175.387 176.578 -1.191 1
1 258 . 9 1 1 A 27 27 SER N N 27 118.827 120.175 -1.348 1
1 259 . 9 1 1 A 27 27 SER H H 27 8.432 8.777 -0.345 1
1 260 . 9 1 1 A 27 27 SER CA C 27 55.236 56.289 -1.053 1
1 261 . 9 1 1 A 27 27 SER HA H 27 3.720 3.782 -0.062 1
1 262 . 9 1 1 A 27 27 SER CB C 27 63.703 65.357 -1.654 1
1 265 . 9 1 1 A 27 27 SER C C 27 173.980 175.215 -1.235 1
1 266 . 9 1 1 A 28 28 LEU N N 28 121.319 120.919 0.400 1
1 267 . 9 1 1 A 28 28 LEU H H 28 7.990 8.391 -0.401 1
1 268 . 9 1 1 A 28 28 LEU CA C 28 55.887 55.862 0.025 1
1 269 . 9 1 1 A 28 28 LEU HA H 28 4.071 4.240 -0.169 1
1 270 . 9 1 1 A 28 28 LEU CB C 28 42.184 42.547 -0.363 1
1 283 . 9 1 1 A 28 28 LEU C C 28 177.159 176.168 0.991 1
1 284 . 9 1 1 A 29 29 GLU N N 29 115.740 116.644 -0.904 1
1 285 . 9 1 1 A 29 29 GLU H H 29 7.458 7.530 -0.072 1
1 286 . 9 1 1 A 29 29 GLU CA C 29 53.658 54.584 -0.926 1
1 287 . 9 1 1 A 29 29 GLU HA H 29 4.444 4.566 -0.122 1
1 288 . 9 1 1 A 29 29 GLU CB C 29 33.209 33.432 -0.223 1
1 294 . 9 1 1 A 29 29 GLU C C 29 174.417 174.624 -0.207 1
1 295 . 9 1 1 A 30 30 GLU N N 30 122.052 120.274 1.778 1
1 296 . 9 1 1 A 30 30 GLU H H 30 8.500 8.488 0.012 1
1 297 . 9 1 1 A 30 30 GLU CA C 30 57.621 56.533 1.088 1
1 298 . 9 1 1 A 30 30 GLU HA H 30 4.297 4.356 -0.059 1
1 299 . 9 1 1 A 30 30 GLU CB C 30 30.403 30.660 -0.257 1
1 305 . 9 1 1 A 30 30 GLU C C 30 177.087 176.004 1.083 1
1 306 . 9 1 1 A 31 31 ILE N N 31 120.377 121.019 -0.642 1
1 307 . 9 1 1 A 31 31 ILE H H 31 8.828 8.491 0.337 1
1 308 . 9 1 1 A 31 31 ILE CA C 31 59.741 58.230 1.511 1
1 309 . 9 1 1 A 31 31 ILE HA H 31 4.680 4.761 -0.081 1
1 310 . 9 1 1 A 31 31 ILE CB C 31 40.845 40.914 -0.069 1
1 323 . 9 1 1 A 31 31 ILE C C 31 175.776 176.307 -0.531 1
1 324 . 9 1 1 A 32 32 GLN N N 32 119.444 119.453 -0.009 1
1 325 . 9 1 1 A 32 32 GLN H H 32 8.668 8.877 -0.209 1
1 326 . 9 1 1 A 32 32 GLN CA C 32 57.277 57.909 -0.632 1
1 327 . 9 1 1 A 32 32 GLN HA H 32 4.302 4.221 0.081 1
1 328 . 9 1 1 A 32 32 GLN CB C 32 30.079 29.010 1.069 1
1 337 . 9 1 1 A 32 32 GLN C C 32 175.824 175.376 0.448 1
1 338 . 9 1 1 A 33 33 ASP N N 33 113.908 118.312 -4.404 1
1 339 . 9 1 1 A 33 33 ASP H H 33 7.684 7.846 -0.162 1
1 340 . 9 1 1 A 33 33 ASP CA C 33 53.441 53.520 -0.079 1
1 341 . 9 1 1 A 33 33 ASP HA H 33 4.754 4.901 -0.147 1
1 342 . 9 1 1 A 33 33 ASP CB C 33 43.727 43.746 -0.019 1
1 345 . 9 1 1 A 33 33 ASP C C 33 175.824 175.625 0.199 1
1 346 . 9 1 1 A 34 34 VAL N N 34 114.196 122.947 -8.751 1
1 347 . 9 1 1 A 34 34 VAL H H 34 8.640 8.746 -0.106 1
1 348 . 9 1 1 A 34 34 VAL CA C 34 64.836 65.122 -0.286 1
1 349 . 9 1 1 A 34 34 VAL HA H 34 3.910 3.913 -0.003 1
1 350 . 9 1 1 A 34 34 VAL CB C 34 31.539 31.504 0.035 1
1 360 . 9 1 1 A 34 34 VAL C C 34 177.669 177.852 -0.183 1
1 361 . 9 1 1 A 35 35 SER N N 35 120.001 116.470 3.531 1
1 362 . 9 1 1 A 35 35 SER H H 35 9.274 8.269 1.005 1
1 363 . 9 1 1 A 35 35 SER CA C 35 62.276 61.705 0.571 1
1 364 . 9 1 1 A 35 35 SER HA H 35 4.448 4.229 0.219 1
1 365 . 9 1 1 A 35 35 SER CB C 35 62.255 63.090 -0.835 1
1 368 . 9 1 1 A 35 35 SER C C 35 177.305 177.217 0.088 1
1 369 . 9 1 1 A 36 36 CYS N N 36 120.840 119.844 0.996 1
1 370 . 9 1 1 A 36 36 CYS H H 36 7.894 8.134 -0.240 1
1 371 . 9 1 1 A 36 36 CYS CA C 36 62.416 63.072 -0.656 1
1 372 . 9 1 1 A 36 36 CYS HA H 36 4.310 4.232 0.078 1
1 373 . 9 1 1 A 36 36 CYS CB C 36 28.189 26.823 1.366 1
1 376 . 9 1 1 A 36 36 CYS C C 36 177.257 176.784 0.473 1
1 377 . 9 1 1 A 37 37 ALA N N 37 122.247 121.646 0.601 1
1 378 . 9 1 1 A 37 37 ALA H H 37 7.343 8.163 -0.820 1
1 379 . 9 1 1 A 37 37 ALA CA C 37 54.145 55.052 -0.907 1
1 380 . 9 1 1 A 37 37 ALA HA H 37 3.546 3.770 -0.224 1
1 381 . 9 1 1 A 37 37 ALA CB C 37 20.009 18.361 1.648 1
1 385 . 9 1 1 A 37 37 ALA C C 37 178.883 179.950 -1.067 1
1 386 . 9 1 1 A 38 38 TRP N N 38 117.352 118.740 -1.388 1
1 387 . 9 1 1 A 38 38 TRP H H 38 7.937 8.277 -0.340 1
1 388 . 9 1 1 A 38 38 TRP CA C 38 60.600 60.080 0.520 1
1 389 . 9 1 1 A 38 38 TRP HA H 38 4.276 4.352 -0.076 1
1 390 . 9 1 1 A 38 38 TRP CB C 38 29.693 29.130 0.563 1
1 405 . 9 1 1 A 38 38 TRP C C 38 178.664 179.218 -0.554 1
1 406 . 9 1 1 A 39 39 LYS N N 39 117.638 118.718 -1.080 1
1 407 . 9 1 1 A 39 39 LYS H H 39 8.102 8.030 0.072 1
1 408 . 9 1 1 A 39 39 LYS CA C 39 60.009 59.393 0.616 1
1 409 . 9 1 1 A 39 39 LYS HA H 39 4.031 3.983 0.048 1
1 410 . 9 1 1 A 39 39 LYS CB C 39 32.471 32.291 0.180 1
1 421 . 9 1 1 A 39 39 LYS C C 39 178.713 178.899 -0.186 1
1 422 . 9 1 1 A 40 40 GLU N N 40 120.486 120.642 -0.156 1
1 423 . 9 1 1 A 40 40 GLU H H 40 6.821 7.757 -0.936 1
1 424 . 9 1 1 A 40 40 GLU CA C 40 58.486 59.092 -0.606 1
1 425 . 9 1 1 A 40 40 GLU HA H 40 4.350 4.008 0.342 1
1 426 . 9 1 1 A 40 40 GLU CB C 40 28.459 29.429 -0.970 1
1 432 . 9 1 1 A 40 40 GLU C C 40 178.543 179.352 -0.809 1
1 433 . 9 1 1 A 41 41 LEU N N 41 119.356 120.351 -0.995 1
1 434 . 9 1 1 A 41 41 LEU H H 41 8.291 8.552 -0.261 1
1 435 . 9 1 1 A 41 41 LEU CA C 41 59.002 58.045 0.957 1
1 436 . 9 1 1 A 41 41 LEU HA H 41 3.947 4.107 -0.160 1
1 437 . 9 1 1 A 41 41 LEU CB C 41 41.914 41.197 0.717 1
1 450 . 9 1 1 A 41 41 LEU C C 41 178.106 178.724 -0.618 1
1 451 . 9 1 1 A 42 42 ASN N N 42 113.310 116.986 -3.676 1
1 452 . 9 1 1 A 42 42 ASN H H 42 8.350 8.209 0.141 1
1 453 . 9 1 1 A 42 42 ASN CA C 42 55.623 55.633 -0.010 1
1 454 . 9 1 1 A 42 42 ASN HA H 42 4.420 4.716 -0.296 1
1 455 . 9 1 1 A 42 42 ASN CB C 42 39.318 38.288 1.030 1
1 461 . 9 1 1 A 42 42 ASN C C 42 176.820 176.770 0.050 1
1 462 . 9 1 1 A 43 43 ARG N N 43 117.734 118.975 -1.241 1
1 463 . 9 1 1 A 43 43 ARG H H 43 7.578 7.845 -0.267 1
1 464 . 9 1 1 A 43 43 ARG CA C 43 58.301 57.912 0.389 1
1 465 . 9 1 1 A 43 43 ARG HA H 43 4.227 4.348 -0.121 1
1 466 . 9 1 1 A 43 43 ARG CB C 43 31.361 31.174 0.187 1
1 475 . 9 1 1 A 43 43 ARG C C 43 178.106 178.157 -0.051 1
1 476 . 9 1 1 A 44 44 LYS N N 44 115.502 118.113 -2.611 1
1 477 . 9 1 1 A 44 44 LYS H H 44 7.365 7.731 -0.366 1
1 478 . 9 1 1 A 44 44 LYS CA C 44 55.367 57.981 -2.614 1
1 479 . 9 1 1 A 44 44 LYS HA H 44 4.280 4.223 0.057 1
1 480 . 9 1 1 A 44 44 LYS CB C 44 34.289 32.813 1.476 1
1 491 . 9 1 1 A 44 44 LYS C C 44 176.504 176.424 0.080 1
1 492 . 9 1 1 A 45 45 LEU N N 45 118.486 119.037 -0.551 1
1 493 . 9 1 1 A 45 45 LEU H H 45 7.977 7.874 0.103 1
1 494 . 9 1 1 A 45 45 LEU CA C 45 53.335 53.147 0.188 1
1 495 . 9 1 1 A 45 45 LEU HA H 45 4.882 4.944 -0.062 1
1 496 . 9 1 1 A 45 45 LEU CB C 45 45.307 44.493 0.814 1
1 509 . 9 1 1 A 45 45 LEU C C 45 176.771 175.819 0.952 1
1 510 . 9 1 1 A 46 46 SER N N 46 116.809 117.807 -0.998 1
1 511 . 9 1 1 A 46 46 SER H H 46 9.074 8.681 0.393 1
1 512 . 9 1 1 A 46 46 SER CA C 46 57.981 58.309 -0.328 1
1 513 . 9 1 1 A 46 46 SER HA H 46 4.407 4.724 -0.317 1
1 514 . 9 1 1 A 46 46 SER CB C 46 64.496 64.002 0.494 1
1 517 . 9 1 1 A 46 46 SER C C 46 175.387 175.722 -0.335 1
1 518 . 9 1 1 A 47 47 SER N N 47 117.511 121.657 -4.146 1
1 519 . 9 1 1 A 47 47 SER H H 47 8.955 8.972 -0.017 1
1 520 . 9 1 1 A 47 47 SER CA C 47 61.523 61.806 -0.283 1
1 521 . 9 1 1 A 47 47 SER HA H 47 4.197 4.085 0.112 1
1 522 . 9 1 1 A 47 47 SER CB C 47 62.412 62.876 -0.464 1
1 525 . 9 1 1 A 48 48 ASN H H 48 8.475 8.152 0.323 1
1 526 . 9 1 1 A 48 48 ASN CA C 48 56.327 55.954 0.373 1
1 527 . 9 1 1 A 48 48 ASN HA H 48 4.421 4.469 -0.048 1
1 528 . 9 1 1 A 48 48 ASN CB C 48 38.635 38.540 0.095 1
1 534 . 9 1 1 A 48 48 ASN C C 48 177.232 177.519 -0.287 1
1 535 . 9 1 1 A 49 49 ALA N N 49 123.504 121.968 1.536 1
1 536 . 9 1 1 A 49 49 ALA H H 49 7.837 8.119 -0.282 1
1 537 . 9 1 1 A 49 49 ALA CA C 49 55.271 55.433 -0.162 1
1 538 . 9 1 1 A 49 49 ALA HA H 49 4.171 4.076 0.095 1
1 539 . 9 1 1 A 49 49 ALA CB C 49 19.301 18.253 1.048 1
1 543 . 9 1 1 A 49 49 ALA C C 49 179.830 179.974 -0.144 1
1 544 . 9 1 1 A 50 50 VAL N N 50 115.694 116.769 -1.075 1
1 545 . 9 1 1 A 50 50 VAL H H 50 8.069 8.404 -0.335 1
1 546 . 9 1 1 A 50 50 VAL CA C 50 65.728 64.444 1.284 1
1 547 . 9 1 1 A 50 50 VAL HA H 50 3.645 3.831 -0.186 1
1 548 . 9 1 1 A 50 50 VAL CB C 50 31.836 31.644 0.192 1
1 558 . 9 1 1 A 50 50 VAL C C 50 178.567 177.591 0.976 1
1 559 . 9 1 1 A 51 51 SER N N 51 114.048 117.408 -3.360 1
1 560 . 9 1 1 A 51 51 SER H H 51 7.849 7.999 -0.150 1
1 561 . 9 1 1 A 51 51 SER CA C 51 60.756 61.001 -0.245 1
1 562 . 9 1 1 A 51 51 SER HA H 51 4.334 4.324 0.010 1
1 563 . 9 1 1 A 51 51 SER CB C 51 63.383 63.291 0.092 1
1 565 . 9 1 1 A 51 51 SER C C 51 174.635 176.421 -1.786 1
1 566 . 9 1 1 A 52 52 GLN N N 52 118.482 117.676 0.806 1
1 567 . 9 1 1 A 52 52 GLN H H 52 7.564 7.956 -0.392 1
1 568 . 9 1 1 A 52 52 GLN CA C 52 55.306 57.471 -2.165 1
1 569 . 9 1 1 A 52 52 GLN HA H 52 4.389 4.433 -0.044 1
1 570 . 9 1 1 A 52 52 GLN CB C 52 29.217 29.284 -0.067 1
1 579 . 9 1 1 A 52 52 GLN C C 52 175.315 177.028 -1.713 1
1 580 . 9 1 1 A 53 53 ILE N N 53 119.847 121.771 -1.924 1
1 581 . 9 1 1 A 53 53 ILE H H 53 7.281 7.121 0.160 1
1 582 . 9 1 1 A 53 53 ILE CA C 53 62.903 62.371 0.532 1
1 583 . 9 1 1 A 53 53 ILE HA H 53 4.417 4.117 0.300 1
1 584 . 9 1 1 A 53 53 ILE CB C 53 38.124 37.651 0.473 1
1 597 . 9 1 1 A 53 53 ILE C C 53 176.383 175.980 0.403 1
1 598 . 9 1 1 A 54 54 THR N N 54 120.582 119.190 1.392 1
1 599 . 9 1 1 A 54 54 THR H H 54 9.046 8.675 0.371 1
1 600 . 9 1 1 A 54 54 THR CA C 54 59.846 59.695 0.151 1
1 601 . 9 1 1 A 54 54 THR HA H 54 4.834 4.932 -0.098 1
1 602 . 9 1 1 A 54 54 THR CB C 54 71.904 72.006 -0.102 1
1 608 . 9 1 1 A 54 54 THR C C 54 172.135 173.169 -1.034 1
1 609 . 9 1 1 A 55 55 ARG N N 55 118.375 123.643 -5.268 1
1 610 . 9 1 1 A 55 55 ARG H H 55 8.511 8.781 -0.270 1
1 611 . 9 1 1 A 55 55 ARG CA C 55 57.312 56.792 0.520 1
1 612 . 9 1 1 A 55 55 ARG HA H 55 3.782 3.793 -0.011 1
1 613 . 9 1 1 A 55 55 ARG CB C 55 28.704 27.728 0.976 1
1 622 . 9 1 1 A 55 55 ARG C C 55 174.684 174.848 -0.164 1
1 623 . 9 1 1 A 56 56 MET N N 56 118.525 117.659 0.866 1
1 624 . 9 1 1 A 56 56 MET H H 56 8.279 7.911 0.368 1
1 625 . 9 1 1 A 56 56 MET CA C 56 55.799 56.188 -0.389 1
1 626 . 9 1 1 A 56 56 MET HA H 56 5.188 4.687 0.501 1
1 627 . 9 1 1 A 56 56 MET CB C 56 33.062 33.087 -0.025 1
1 637 . 9 1 1 A 56 56 MET C C 56 177.572 175.110 2.462 1
1 638 . 9 1 1 A 57 57 CYS N N 57 126.541 126.604 -0.063 1
1 639 . 9 1 1 A 57 57 CYS H H 57 9.340 8.839 0.501 1
1 640 . 9 1 1 A 57 57 CYS CA C 57 57.171 57.779 -0.608 1
1 641 . 9 1 1 A 57 57 CYS HA H 57 4.794 5.291 -0.497 1
1 642 . 9 1 1 A 57 57 CYS CB C 57 31.161 31.861 -0.700 1
1 645 . 9 1 1 A 57 57 CYS C C 57 173.057 173.646 -0.589 1
1 646 . 9 1 1 A 58 58 LEU N N 58 123.786 125.632 -1.846 1
1 647 . 9 1 1 A 58 58 LEU H H 58 8.682 8.517 0.165 1
1 648 . 9 1 1 A 58 58 LEU CA C 58 55.975 55.033 0.942 1
1 649 . 9 1 1 A 58 58 LEU HA H 58 4.520 4.432 0.088 1
1 650 . 9 1 1 A 58 58 LEU CB C 58 43.097 42.182 0.915 1
1 663 . 9 1 1 A 58 58 LEU C C 58 177.960 177.445 0.515 1
1 664 . 9 1 1 A 59 59 LEU N N 59 124.007 124.835 -0.828 1
1 665 . 9 1 1 A 59 59 LEU H H 59 8.269 8.818 -0.549 1
1 666 . 9 1 1 A 59 59 LEU CA C 59 54.156 54.209 -0.053 1
1 667 . 9 1 1 A 59 59 LEU HA H 59 4.261 4.442 -0.181 1
1 668 . 9 1 1 A 59 59 LEU CB C 59 42.986 42.223 0.763 1
1 681 . 9 1 1 A 59 59 LEU C C 59 177.645 177.450 0.195 1
1 682 . 9 1 1 A 60 60 LYS N N 60 122.593 121.774 0.819 1
1 683 . 9 1 1 A 60 60 LYS H H 60 8.458 8.673 -0.215 1
1 684 . 9 1 1 A 60 60 LYS CA C 60 58.263 58.747 -0.484 1
1 685 . 9 1 1 A 60 60 LYS HA H 60 4.101 3.835 0.266 1
1 686 . 9 1 1 A 60 60 LYS CB C 60 31.732 32.132 -0.400 1
1 696 . 9 1 1 A 60 60 LYS C C 60 178.422 177.499 0.923 1
1 697 . 9 1 1 A 61 61 GLY H H 61 9.070 8.869 0.201 1
1 698 . 9 1 1 A 61 61 GLY CA C 61 45.355 45.541 -0.186 1
1 699 . 9 1 1 A 61 61 GLY HA2 H 61 3.641 3.967 -0.326 1
1 700 . 9 1 1 A 61 61 GLY HA3 H 61 4.223 3.971 0.252 1
1 701 . 9 1 1 A 61 61 GLY C C 61 173.907 174.595 -0.688 1
1 702 . 9 1 1 A 62 62 ASN N N 62 112.617 112.188 0.429 1
1 703 . 9 1 1 A 62 62 ASN H H 62 8.639 8.562 0.077 1
1 704 . 9 1 1 A 62 62 ASN CA C 62 55.115 54.729 0.386 1
1 705 . 9 1 1 A 62 62 ASN HA H 62 4.208 4.457 -0.249 1
1 706 . 9 1 1 A 62 62 ASN CB C 62 36.133 37.347 -1.214 1
1 712 . 9 1 1 A 62 62 ASN C C 62 173.810 175.155 -1.345 1
1 713 . 9 1 1 A 63 63 MET N N 63 114.254 117.525 -3.271 1
1 714 . 9 1 1 A 63 63 MET H H 63 7.967 8.166 -0.199 1
1 715 . 9 1 1 A 63 63 MET CA C 63 53.229 55.611 -2.382 1
1 716 . 9 1 1 A 63 63 MET HA H 63 4.908 4.480 0.428 1
1 717 . 9 1 1 A 63 63 MET CB C 63 29.363 32.057 -2.694 1
1 727 . 9 1 1 A 63 63 MET C C 63 175.436 175.401 0.035 1
1 728 . 9 1 1 A 64 64 GLY N N 64 102.826 107.315 -4.489 1
1 729 . 9 1 1 A 64 64 GLY H H 64 7.039 7.524 -0.485 1
1 730 . 9 1 1 A 64 64 GLY CA C 64 45.381 44.868 0.513 1
1 731 . 9 1 1 A 64 64 GLY HA2 H 64 4.902 4.110 0.792 1
1 732 . 9 1 1 A 64 64 GLY HA3 H 64 4.026 4.133 -0.107 1
1 733 . 9 1 1 A 64 64 GLY C C 64 171.868 171.499 0.369 1
1 734 . 9 1 1 A 65 65 VAL N N 65 110.602 115.536 -4.934 1
1 735 . 9 1 1 A 65 65 VAL H H 65 8.994 8.617 0.377 1
1 736 . 9 1 1 A 65 65 VAL CA C 65 58.892 59.092 -0.200 1
1 737 . 9 1 1 A 65 65 VAL HA H 65 5.511 5.091 0.420 1
1 738 . 9 1 1 A 65 65 VAL CB C 65 36.392 36.078 0.314 1
1 748 . 9 1 1 A 65 65 VAL C C 65 174.319 174.409 -0.090 1
1 749 . 9 1 1 A 66 66 CYS N N 66 115.721 121.156 -5.435 1
1 750 . 9 1 1 A 66 66 CYS H H 66 9.175 9.180 -0.005 1
1 751 . 9 1 1 A 66 66 CYS CA C 66 54.912 56.584 -1.672 1
1 752 . 9 1 1 A 66 66 CYS HA H 66 5.590 5.588 0.002 1
1 753 . 9 1 1 A 66 66 CYS CB C 66 31.672 31.390 0.282 1
1 756 . 9 1 1 A 66 66 CYS C C 66 171.941 173.434 -1.493 1
1 757 . 9 1 1 A 67 67 PHE N N 67 114.941 118.083 -3.142 1
1 758 . 9 1 1 A 67 67 PHE H H 67 8.220 8.746 -0.526 1
1 759 . 9 1 1 A 67 67 PHE CA C 67 56.468 55.912 0.556 1
1 760 . 9 1 1 A 67 67 PHE HA H 67 4.879 5.198 -0.319 1
1 761 . 9 1 1 A 67 67 PHE CB C 67 39.366 40.784 -1.418 1
1 774 . 9 1 1 A 67 67 PHE C C 67 171.552 171.963 -0.411 1
1 775 . 9 1 1 A 68 68 ASP N N 68 119.507 119.497 0.010 1
1 776 . 9 1 1 A 68 68 ASP H H 68 9.072 8.804 0.268 1
1 777 . 9 1 1 A 68 68 ASP CA C 68 52.737 52.781 -0.044 1
1 778 . 9 1 1 A 68 68 ASP HA H 68 5.901 5.681 0.220 1
1 779 . 9 1 1 A 68 68 ASP CB C 68 42.545 44.163 -1.618 1
1 782 . 9 1 1 A 68 68 ASP C C 68 176.116 175.471 0.645 1
1 783 . 9 1 1 A 69 69 VAL N N 69 114.937 117.148 -2.211 1
1 784 . 9 1 1 A 69 69 VAL H H 69 8.819 8.958 -0.139 1
1 785 . 9 1 1 A 69 69 VAL CA C 69 58.051 58.105 -0.054 1
1 786 . 9 1 1 A 69 69 VAL HA H 69 5.205 4.994 0.211 1
1 787 . 9 1 1 A 69 69 VAL CB C 69 35.698 34.942 0.756 1
1 797 . 9 1 1 A 69 69 VAL C C 69 173.154 173.914 -0.760 1
1 798 . 9 1 1 A 70 70 PRO CA C 70 62.946 61.621 1.325 1
1 799 . 9 1 1 A 70 70 PRO HA H 70 4.479 4.021 0.458 1
1 800 . 9 1 1 A 70 70 PRO CB C 70 32.255 32.472 -0.217 1
1 809 . 9 1 1 A 70 70 PRO C C 70 178.737 177.627 1.110 1
1 810 . 9 1 1 A 71 71 THR N N 71 119.743 115.474 4.269 1
1 811 . 9 1 1 A 71 71 THR H H 71 8.401 8.335 0.066 1
1 812 . 9 1 1 A 71 71 THR CA C 71 66.415 65.317 1.098 1
1 813 . 9 1 1 A 71 71 THR HA H 71 3.761 3.884 -0.123 1
1 814 . 9 1 1 A 71 71 THR CB C 71 68.476 68.161 0.315 1
1 820 . 9 1 1 A 71 71 THR C C 71 176.965 175.936 1.029 1
1 821 . 9 1 1 A 72 72 THR N N 72 109.724 113.945 -4.221 1
1 822 . 9 1 1 A 72 72 THR H H 72 7.747 8.059 -0.312 1
1 823 . 9 1 1 A 72 72 THR CA C 72 64.100 65.632 -1.532 1
1 824 . 9 1 1 A 72 72 THR HA H 72 4.120 3.929 0.191 1
1 825 . 9 1 1 A 72 72 THR CB C 72 68.471 68.005 0.466 1
1 831 . 9 1 1 A 72 72 THR C C 72 175.849 176.553 -0.704 1
1 832 . 9 1 1 A 73 73 GLU N N 73 118.626 122.236 -3.610 1
1 833 . 9 1 1 A 73 73 GLU H H 73 7.767 8.163 -0.396 1
1 834 . 9 1 1 A 73 73 GLU CA C 73 55.623 59.294 -3.671 1
1 835 . 9 1 1 A 73 73 GLU HA H 73 4.587 4.097 0.490 1
1 836 . 9 1 1 A 73 73 GLU CB C 73 30.542 29.295 1.247 1
1 842 . 9 1 1 A 73 73 GLU C C 73 177.257 179.345 -2.088 1
1 843 . 9 1 1 A 74 74 SER N N 74 114.932 115.486 -0.554 1
1 844 . 9 1 1 A 74 74 SER H H 74 7.442 8.043 -0.601 1
1 845 . 9 1 1 A 74 74 SER CA C 74 62.099 61.223 0.876 1
1 846 . 9 1 1 A 74 74 SER HA H 74 3.938 4.278 -0.340 1
1 847 . 9 1 1 A 74 74 SER CB C 74 63.067 62.403 0.664 1
1 850 . 9 1 1 A 74 74 SER C C 74 176.528 177.381 -0.853 1
1 851 . 9 1 1 A 75 75 GLU N N 75 120.907 123.316 -2.409 1
1 852 . 9 1 1 A 75 75 GLU H H 75 8.350 7.159 1.191 1
1 853 . 9 1 1 A 75 75 GLU CA C 75 59.706 59.198 0.508 1
1 854 . 9 1 1 A 75 75 GLU HA H 75 4.045 4.153 -0.108 1
1 855 . 9 1 1 A 75 75 GLU CB C 75 29.085 29.562 -0.477 1
1 861 . 9 1 1 A 75 75 GLU C C 75 179.320 179.129 0.191 1
1 862 . 9 1 1 A 76 76 ARG N N 76 121.343 120.029 1.314 1
1 863 . 9 1 1 A 76 76 ARG H H 76 7.948 8.095 -0.147 1
1 864 . 9 1 1 A 76 76 ARG CA C 76 59.188 58.939 0.249 1
1 865 . 9 1 1 A 76 76 ARG HA H 76 4.094 4.086 0.008 1
1 866 . 9 1 1 A 76 76 ARG CB C 76 29.726 30.020 -0.294 1
1 875 . 9 1 1 A 76 76 ARG C C 76 178.373 178.997 -0.624 1
1 876 . 9 1 1 A 77 77 LEU N N 77 120.110 120.401 -0.291 1
1 877 . 9 1 1 A 77 77 LEU H H 77 8.029 8.377 -0.348 1
1 878 . 9 1 1 A 77 77 LEU CA C 77 59.809 57.891 1.918 1
1 879 . 9 1 1 A 77 77 LEU HA H 77 3.975 4.067 -0.092 1
1 880 . 9 1 1 A 77 77 LEU CB C 77 42.216 40.826 1.390 1
1 893 . 9 1 1 A 77 77 LEU C C 77 178.810 179.545 -0.735 1
1 894 . 9 1 1 A 78 78 GLN N N 78 114.090 117.049 -2.959 1
1 895 . 9 1 1 A 78 78 GLN H H 78 7.680 7.749 -0.069 1
1 896 . 9 1 1 A 78 78 GLN CA C 78 59.600 58.830 0.770 1
1 897 . 9 1 1 A 78 78 GLN HA H 78 3.915 4.171 -0.256 1
1 898 . 9 1 1 A 78 78 GLN CB C 78 30.101 28.338 1.763 1
1 907 . 9 1 1 A 78 78 GLN C C 78 178.325 177.573 0.752 1
1 908 . 9 1 1 A 79 79 ALA N N 79 119.863 122.831 -2.968 1
1 909 . 9 1 1 A 79 79 ALA H H 79 7.900 7.809 0.091 1
1 910 . 9 1 1 A 79 79 ALA CA C 79 54.321 54.537 -0.216 1
1 911 . 9 1 1 A 79 79 ALA HA H 79 4.255 4.369 -0.114 1
1 912 . 9 1 1 A 79 79 ALA CB C 79 18.596 18.921 -0.325 1
1 916 . 9 1 1 A 79 79 ALA C C 79 179.514 179.396 0.118 1
1 917 . 9 1 1 A 80 80 GLU N N 80 115.847 117.591 -1.744 1
1 918 . 9 1 1 A 80 80 GLU H H 80 7.773 8.246 -0.473 1
1 919 . 9 1 1 A 80 80 GLU CA C 80 57.312 58.260 -0.948 1
1 920 . 9 1 1 A 80 80 GLU HA H 80 4.286 4.284 0.002 1
1 921 . 9 1 1 A 80 80 GLU CB C 80 31.095 29.729 1.366 1
1 927 . 9 1 1 A 80 80 GLU C C 80 176.965 177.212 -0.247 1
1 928 . 9 1 1 A 81 81 TRP N N 81 122.132 123.042 -0.910 1
1 929 . 9 1 1 A 81 81 TRP H H 81 7.661 7.848 -0.187 1
1 930 . 9 1 1 A 81 81 TRP CA C 81 58.641 55.907 2.734 1
1 931 . 9 1 1 A 81 81 TRP HA H 81 4.261 4.874 -0.613 1
1 932 . 9 1 1 A 81 81 TRP CB C 81 29.118 28.859 0.259 1
1 947 . 9 1 1 A 81 81 TRP C C 81 174.611 175.290 -0.679 1
1 948 . 9 1 1 A 82 82 HIS CA C 82 54.101 54.633 -0.532 1
1 949 . 9 1 1 A 82 82 HIS HA H 82 4.727 4.898 -0.171 1
1 950 . 9 1 1 A 82 82 HIS CB C 82 30.847 33.964 -3.117 1
1 957 . 9 1 1 A 83 83 ASP CA C 83 54.997 55.267 -0.270 1
1 958 . 9 1 1 A 83 83 ASP HA H 83 4.342 4.079 0.263 1
1 959 . 9 1 1 A 83 83 ASP CB C 83 40.395 39.279 1.116 1
1 962 . 9 1 1 A 83 83 ASP C C 83 174.198 174.366 -0.168 1
1 963 . 9 1 1 A 84 84 SER N N 84 111.986 112.462 -0.476 1
1 964 . 9 1 1 A 84 84 SER H H 84 7.863 7.528 0.335 1
1 965 . 9 1 1 A 84 84 SER CA C 84 56.714 56.380 0.334 1
1 966 . 9 1 1 A 84 84 SER HA H 84 4.584 4.738 -0.154 1
1 967 . 9 1 1 A 84 84 SER CB C 84 64.374 64.946 -0.572 1
1 970 . 9 1 1 A 84 84 SER C C 84 174.489 172.055 2.434 1
1 971 . 9 1 1 A 85 85 ASP N N 85 125.547 121.678 3.869 1
1 972 . 9 1 1 A 85 85 ASP H H 85 9.268 8.750 0.518 1
1 973 . 9 1 1 A 85 85 ASP CA C 85 55.447 54.321 1.126 1
1 974 . 9 1 1 A 85 85 ASP HA H 85 4.704 4.989 -0.285 1
1 975 . 9 1 1 A 85 85 ASP CB C 85 40.980 42.034 -1.054 1
1 978 . 9 1 1 A 85 85 ASP C C 85 177.038 176.487 0.551 1
1 979 . 9 1 1 A 86 86 TRP N N 86 121.831 119.925 1.906 1
1 980 . 9 1 1 A 86 86 TRP H H 86 9.345 7.568 1.777 1
1 981 . 9 1 1 A 86 86 TRP CA C 86 56.967 57.944 -0.977 1
1 982 . 9 1 1 A 86 86 TRP HA H 86 5.091 4.860 0.231 1
1 983 . 9 1 1 A 86 86 TRP CB C 86 29.118 30.958 -1.840 1
1 998 . 9 1 1 A 86 86 TRP C C 86 176.723 177.138 -0.415 1
1 999 . 9 1 1 A 87 87 ILE N N 87 123.116 122.243 0.873 1
1 1000 . 9 1 1 A 87 87 ILE H H 87 8.965 8.533 0.432 1
1 1001 . 9 1 1 A 87 87 ILE CA C 87 60.595 59.981 0.614 1
1 1002 . 9 1 1 A 87 87 ILE HA H 87 4.462 4.748 -0.286 1
1 1003 . 9 1 1 A 87 87 ILE CB C 87 40.354 39.240 1.114 1
1 1016 . 9 1 1 A 87 87 ILE C C 87 175.824 174.421 1.403 1
1 1017 . 9 1 1 A 88 88 LEU N N 88 134.475 131.412 3.063 1
1 1018 . 9 1 1 A 88 88 LEU H H 88 8.736 9.244 -0.508 1
1 1019 . 9 1 1 A 88 88 LEU CA C 88 53.763 53.447 0.316 1
1 1020 . 9 1 1 A 88 88 LEU HA H 88 5.163 5.120 0.043 1
1 1021 . 9 1 1 A 88 88 LEU CB C 88 43.020 44.166 -1.146 1
1 1034 . 9 1 1 A 88 88 LEU C C 88 175.824 174.834 0.990 1
1 1035 . 9 1 1 A 89 89 SER N N 89 122.016 123.726 -1.710 1
1 1036 . 9 1 1 A 89 89 SER H H 89 9.152 8.670 0.482 1
1 1037 . 9 1 1 A 89 89 SER CA C 89 57.242 57.532 -0.290 1
1 1038 . 9 1 1 A 89 89 SER HA H 89 4.739 5.198 -0.459 1
1 1039 . 9 1 1 A 89 89 SER CB C 89 65.526 66.612 -1.086 1
1 1042 . 9 1 1 A 89 89 SER C C 89 171.989 172.431 -0.442 1
1 1043 . 9 1 1 A 90 90 VAL N N 90 119.844 121.532 -1.688 1
1 1044 . 9 1 1 A 90 90 VAL H H 90 8.220 8.729 -0.509 1
1 1045 . 9 1 1 A 90 90 VAL CA C 90 59.143 59.013 0.130 1
1 1046 . 9 1 1 A 90 90 VAL HA H 90 4.604 4.626 -0.022 1
1 1047 . 9 1 1 A 90 90 VAL CB C 90 33.056 33.055 0.001 1
1 1057 . 9 1 1 A 90 90 VAL C C 90 174.198 174.190 0.008 1
1 1058 . 9 1 1 A 91 91 PRO CA C 91 63.467 62.481 0.986 1
1 1059 . 9 1 1 A 91 91 PRO HA H 91 4.329 4.674 -0.345 1
1 1060 . 9 1 1 A 91 91 PRO CB C 91 32.003 33.181 -1.178 1
1 1069 . 9 1 1 A 91 91 PRO C C 91 175.557 174.860 0.697 1
1 1 . 10 1 1 A 6 6 SER CA C 6 58.720 57.217 1.503 1
1 2 . 10 1 1 A 6 6 SER HA H 6 4.456 4.702 -0.246 1
1 3 . 10 1 1 A 6 6 SER CB C 6 63.880 67.830 -3.950 1
1 6 . 10 1 1 A 6 6 SER C C 6 174.951 173.657 1.294 1
1 7 . 10 1 1 A 7 7 GLY N N 7 110.558 109.467 1.091 1
1 8 . 10 1 1 A 7 7 GLY H H 7 8.377 8.075 0.302 1
1 9 . 10 1 1 A 7 7 GLY CA C 7 45.205 45.339 -0.134 1
1 10 . 10 1 1 A 7 7 GLY HA2 H 7 3.879 3.748 0.131 1
1 11 . 10 1 1 A 7 7 GLY HA3 H 7 3.910 3.827 0.083 1
1 12 . 10 1 1 A 7 7 GLY C C 7 173.615 174.231 -0.616 1
1 13 . 10 1 1 A 8 8 PHE N N 8 119.857 116.916 2.941 1
1 14 . 10 1 1 A 8 8 PHE H H 8 8.062 7.334 0.728 1
1 15 . 10 1 1 A 8 8 PHE CA C 8 57.418 57.222 0.196 1
1 16 . 10 1 1 A 8 8 PHE HA H 8 4.624 4.617 0.007 1
1 17 . 10 1 1 A 8 8 PHE CB C 8 39.749 39.962 -0.213 1
1 30 . 10 1 1 A 8 8 PHE C C 8 175.242 174.560 0.682 1
1 31 . 10 1 1 A 9 9 GLU N N 9 124.807 121.633 3.174 1
1 32 . 10 1 1 A 9 9 GLU H H 9 8.311 7.503 0.808 1
1 33 . 10 1 1 A 9 9 GLU CA C 9 54.034 53.273 0.761 1
1 34 . 10 1 1 A 9 9 GLU HA H 9 4.546 4.824 -0.278 1
1 35 . 10 1 1 A 9 9 GLU CB C 9 29.859 30.831 -0.972 1
1 40 . 10 1 1 A 9 9 GLU C C 9 174.125 174.056 0.069 1
1 41 . 10 1 1 A 10 10 PRO CA C 10 63.366 62.498 0.868 1
1 42 . 10 1 1 A 10 10 PRO HA H 10 4.334 4.791 -0.457 1
1 43 . 10 1 1 A 10 10 PRO CB C 10 32.033 32.138 -0.105 1
1 52 . 10 1 1 A 10 10 PRO C C 10 177.062 176.120 0.942 1
1 53 . 10 1 1 A 11 11 ARG N N 11 120.726 123.610 -2.884 1
1 54 . 10 1 1 A 11 11 ARG H H 11 8.477 8.676 -0.199 1
1 55 . 10 1 1 A 11 11 ARG CA C 11 56.175 54.142 2.033 1
1 56 . 10 1 1 A 11 11 ARG HA H 11 4.318 4.752 -0.434 1
1 57 . 10 1 1 A 11 11 ARG CB C 11 30.831 32.911 -2.080 1
1 66 . 10 1 1 A 11 11 ARG C C 11 176.455 176.318 0.137 1
1 67 . 10 1 1 A 12 12 SER N N 12 116.599 117.974 -1.375 1
1 68 . 10 1 1 A 12 12 SER H H 12 8.289 8.950 -0.661 1
1 69 . 10 1 1 A 12 12 SER CA C 12 58.330 62.464 -4.134 1
1 70 . 10 1 1 A 12 12 SER HA H 12 4.396 4.165 0.231 1
1 71 . 10 1 1 A 12 12 SER CB C 12 63.633 62.981 0.652 1
1 74 . 10 1 1 A 12 12 SER C C 12 174.465 175.487 -1.022 1
1 75 . 10 1 1 A 13 13 LEU N N 13 124.186 119.861 4.325 1
1 76 . 10 1 1 A 13 13 LEU H H 13 8.275 7.865 0.410 1
1 77 . 10 1 1 A 13 13 LEU CA C 13 55.306 54.316 0.990 1
1 78 . 10 1 1 A 13 13 LEU HA H 13 4.361 4.274 0.087 1
1 79 . 10 1 1 A 13 13 LEU CB C 13 42.350 41.210 1.140 1
1 92 . 10 1 1 A 13 13 LEU C C 13 177.184 176.397 0.787 1
1 93 . 10 1 1 A 14 14 ILE N N 14 121.445 123.073 -1.628 1
1 94 . 10 1 1 A 14 14 ILE H H 14 8.106 8.427 -0.321 1
1 95 . 10 1 1 A 14 14 ILE CA C 14 61.248 60.363 0.885 1
1 96 . 10 1 1 A 14 14 ILE HA H 14 4.202 4.535 -0.333 1
1 97 . 10 1 1 A 14 14 ILE CB C 14 38.555 39.001 -0.446 1
1 110 . 10 1 1 A 14 14 ILE C C 14 176.528 175.045 1.483 1
1 111 . 10 1 1 A 15 15 THR N N 15 118.053 120.118 -2.065 1
1 112 . 10 1 1 A 15 15 THR H H 15 8.226 8.716 -0.490 1
1 113 . 10 1 1 A 15 15 THR CA C 15 61.573 62.905 -1.332 1
1 114 . 10 1 1 A 15 15 THR HA H 15 4.401 4.542 -0.141 1
1 115 . 10 1 1 A 15 15 THR CB C 15 69.795 72.268 -2.473 1
1 121 . 10 1 1 A 15 15 THR C C 15 174.538 174.691 -0.153 1
1 122 . 10 1 1 A 16 16 SER N N 16 117.877 115.861 2.016 1
1 123 . 10 1 1 A 16 16 SER H H 16 8.272 8.363 -0.091 1
1 124 . 10 1 1 A 16 16 SER CA C 16 55.830 57.677 -1.847 1
1 125 . 10 1 1 A 16 16 SER HA H 16 4.448 4.892 -0.444 1
1 126 . 10 1 1 A 16 16 SER CB C 16 63.880 63.657 0.223 1
1 129 . 10 1 1 A 16 16 SER C C 16 174.247 174.765 -0.518 1
1 130 . 10 1 1 A 17 17 ASP N N 17 122.892 122.056 0.836 1
1 131 . 10 1 1 A 17 17 ASP H H 17 8.425 8.020 0.405 1
1 132 . 10 1 1 A 17 17 ASP CA C 17 54.461 56.155 -1.694 1
1 133 . 10 1 1 A 17 17 ASP HA H 17 4.611 4.382 0.229 1
1 134 . 10 1 1 A 17 17 ASP CB C 17 41.340 41.002 0.338 1
1 137 . 10 1 1 A 17 17 ASP C C 17 176.358 176.836 -0.478 1
1 138 . 10 1 1 A 18 18 LYS N N 18 121.459 120.308 1.151 1
1 139 . 10 1 1 A 18 18 LYS H H 18 8.349 7.542 0.807 1
1 140 . 10 1 1 A 18 18 LYS CA C 18 56.526 58.108 -1.582 1
1 141 . 10 1 1 A 18 18 LYS HA H 18 4.356 4.200 0.156 1
1 142 . 10 1 1 A 18 18 LYS CB C 18 32.744 32.017 0.727 1
1 152 . 10 1 1 A 18 18 LYS C C 18 177.305 176.878 0.427 1
1 153 . 10 1 1 A 19 19 GLY N N 19 109.072 110.552 -1.480 1
1 154 . 10 1 1 A 19 19 GLY H H 19 8.533 8.508 0.025 1
1 155 . 10 1 1 A 19 19 GLY CA C 19 45.451 45.706 -0.255 1
1 156 . 10 1 1 A 19 19 GLY HA2 H 19 3.884 4.245 -0.361 1
1 157 . 10 1 1 A 19 19 GLY HA3 H 19 3.960 4.289 -0.329 1
1 158 . 10 1 1 A 19 19 GLY C C 19 174.028 172.560 1.468 1
1 159 . 10 1 1 A 20 20 PHE N N 20 119.395 122.719 -3.324 1
1 160 . 10 1 1 A 20 20 PHE H H 20 8.014 8.699 -0.685 1
1 161 . 10 1 1 A 20 20 PHE CA C 20 56.992 58.045 -1.053 1
1 162 . 10 1 1 A 20 20 PHE HA H 20 5.166 4.698 0.468 1
1 163 . 10 1 1 A 20 20 PHE CB C 20 43.122 40.070 3.052 1
1 176 . 10 1 1 A 20 20 PHE C C 20 174.247 175.188 -0.941 1
1 177 . 10 1 1 A 21 21 VAL N N 21 119.613 119.052 0.561 1
1 178 . 10 1 1 A 21 21 VAL H H 21 9.282 8.778 0.504 1
1 179 . 10 1 1 A 21 21 VAL CA C 21 60.286 60.278 0.008 1
1 180 . 10 1 1 A 21 21 VAL HA H 21 4.403 4.825 -0.422 1
1 181 . 10 1 1 A 21 21 VAL CB C 21 35.624 35.756 -0.132 1
1 191 . 10 1 1 A 21 21 VAL C C 21 174.077 173.910 0.167 1
1 192 . 10 1 1 A 22 22 THR N N 22 123.150 122.701 0.449 1
1 193 . 10 1 1 A 22 22 THR H H 22 8.226 8.798 -0.572 1
1 194 . 10 1 1 A 22 22 THR CA C 22 61.672 61.944 -0.272 1
1 195 . 10 1 1 A 22 22 THR HA H 22 5.214 5.141 0.073 1
1 196 . 10 1 1 A 22 22 THR CB C 22 69.636 70.399 -0.763 1
1 202 . 10 1 1 A 22 22 THR C C 22 174.319 173.915 0.404 1
1 203 . 10 1 1 A 23 23 MET N N 23 125.701 123.581 2.120 1
1 204 . 10 1 1 A 23 23 MET H H 23 9.254 9.198 0.056 1
1 205 . 10 1 1 A 23 23 MET CA C 23 54.250 54.098 0.152 1
1 206 . 10 1 1 A 23 23 MET HA H 23 4.680 5.247 -0.567 1
1 207 . 10 1 1 A 23 23 MET CB C 23 34.967 36.892 -1.925 1
1 217 . 10 1 1 A 23 23 MET C C 23 174.028 174.280 -0.252 1
1 218 . 10 1 1 A 24 24 THR N N 24 109.251 114.939 -5.688 1
1 219 . 10 1 1 A 24 24 THR H H 24 8.410 8.542 -0.132 1
1 220 . 10 1 1 A 24 24 THR CA C 24 59.952 60.828 -0.876 1
1 221 . 10 1 1 A 24 24 THR HA H 24 4.838 4.970 -0.132 1
1 222 . 10 1 1 A 24 24 THR CB C 24 71.427 72.784 -1.357 1
1 228 . 10 1 1 A 24 24 THR C C 24 172.353 173.102 -0.749 1
1 229 . 10 1 1 A 25 25 LEU N N 25 125.384 124.288 1.096 1
1 230 . 10 1 1 A 25 25 LEU H H 25 8.901 8.472 0.429 1
1 231 . 10 1 1 A 25 25 LEU CA C 25 53.373 54.203 -0.830 1
1 232 . 10 1 1 A 25 25 LEU HA H 25 5.333 4.958 0.375 1
1 233 . 10 1 1 A 25 25 LEU CB C 25 45.607 45.364 0.243 1
1 246 . 10 1 1 A 25 25 LEU C C 25 175.606 174.605 1.001 1
1 247 . 10 1 1 A 26 26 GLU N N 26 125.482 127.051 -1.569 1
1 248 . 10 1 1 A 26 26 GLU H H 26 9.147 9.043 0.104 1
1 249 . 10 1 1 A 26 26 GLU CA C 26 56.010 55.322 0.688 1
1 250 . 10 1 1 A 26 26 GLU HA H 26 4.922 4.782 0.140 1
1 251 . 10 1 1 A 26 26 GLU CB C 26 33.588 31.140 2.448 1
1 257 . 10 1 1 A 26 26 GLU C C 26 175.387 176.536 -1.149 1
1 258 . 10 1 1 A 27 27 SER N N 27 118.827 118.747 0.080 1
1 259 . 10 1 1 A 27 27 SER H H 27 8.432 8.838 -0.406 1
1 260 . 10 1 1 A 27 27 SER CA C 27 55.236 56.411 -1.175 1
1 261 . 10 1 1 A 27 27 SER HA H 27 3.720 3.961 -0.241 1
1 262 . 10 1 1 A 27 27 SER CB C 27 63.703 65.153 -1.450 1
1 265 . 10 1 1 A 27 27 SER C C 27 173.980 175.073 -1.093 1
1 266 . 10 1 1 A 28 28 LEU N N 28 121.319 121.508 -0.189 1
1 267 . 10 1 1 A 28 28 LEU H H 28 7.990 8.388 -0.398 1
1 268 . 10 1 1 A 28 28 LEU CA C 28 55.887 55.846 0.041 1
1 269 . 10 1 1 A 28 28 LEU HA H 28 4.071 4.247 -0.176 1
1 270 . 10 1 1 A 28 28 LEU CB C 28 42.184 42.543 -0.359 1
1 283 . 10 1 1 A 28 28 LEU C C 28 177.159 176.582 0.577 1
1 284 . 10 1 1 A 29 29 GLU N N 29 115.740 117.056 -1.316 1
1 285 . 10 1 1 A 29 29 GLU H H 29 7.458 7.505 -0.047 1
1 286 . 10 1 1 A 29 29 GLU CA C 29 53.658 54.626 -0.968 1
1 287 . 10 1 1 A 29 29 GLU HA H 29 4.444 4.731 -0.287 1
1 288 . 10 1 1 A 29 29 GLU CB C 29 33.209 34.210 -1.001 1
1 294 . 10 1 1 A 29 29 GLU C C 29 174.417 175.614 -1.197 1
1 295 . 10 1 1 A 30 30 GLU N N 30 122.052 120.340 1.712 1
1 296 . 10 1 1 A 30 30 GLU H H 30 8.500 8.335 0.165 1
1 297 . 10 1 1 A 30 30 GLU CA C 30 57.621 56.418 1.203 1
1 298 . 10 1 1 A 30 30 GLU HA H 30 4.297 4.447 -0.150 1
1 299 . 10 1 1 A 30 30 GLU CB C 30 30.403 30.165 0.238 1
1 305 . 10 1 1 A 30 30 GLU C C 30 177.087 177.031 0.056 1
1 306 . 10 1 1 A 31 31 ILE N N 31 120.377 123.770 -3.393 1
1 307 . 10 1 1 A 31 31 ILE H H 31 8.828 8.357 0.471 1
1 308 . 10 1 1 A 31 31 ILE CA C 31 59.741 59.810 -0.069 1
1 309 . 10 1 1 A 31 31 ILE HA H 31 4.680 4.435 0.245 1
1 310 . 10 1 1 A 31 31 ILE CB C 31 40.845 39.666 1.179 1
1 323 . 10 1 1 A 31 31 ILE C C 31 175.776 176.496 -0.720 1
1 324 . 10 1 1 A 32 32 GLN N N 32 119.444 122.119 -2.675 1
1 325 . 10 1 1 A 32 32 GLN H H 32 8.668 8.462 0.206 1
1 326 . 10 1 1 A 32 32 GLN CA C 32 57.277 57.831 -0.554 1
1 327 . 10 1 1 A 32 32 GLN HA H 32 4.302 4.293 0.009 1
1 328 . 10 1 1 A 32 32 GLN CB C 32 30.079 29.342 0.737 1
1 337 . 10 1 1 A 32 32 GLN C C 32 175.824 174.818 1.006 1
1 338 . 10 1 1 A 33 33 ASP N N 33 113.908 117.598 -3.690 1
1 339 . 10 1 1 A 33 33 ASP H H 33 7.684 7.875 -0.191 1
1 340 . 10 1 1 A 33 33 ASP CA C 33 53.441 53.027 0.414 1
1 341 . 10 1 1 A 33 33 ASP HA H 33 4.754 4.857 -0.103 1
1 342 . 10 1 1 A 33 33 ASP CB C 33 43.727 43.768 -0.041 1
1 345 . 10 1 1 A 33 33 ASP C C 33 175.824 175.806 0.018 1
1 346 . 10 1 1 A 34 34 VAL N N 34 114.196 122.104 -7.908 1
1 347 . 10 1 1 A 34 34 VAL H H 34 8.640 8.781 -0.141 1
1 348 . 10 1 1 A 34 34 VAL CA C 34 64.836 64.812 0.024 1
1 349 . 10 1 1 A 34 34 VAL HA H 34 3.910 3.840 0.070 1
1 350 . 10 1 1 A 34 34 VAL CB C 34 31.539 31.416 0.123 1
1 360 . 10 1 1 A 34 34 VAL C C 34 177.669 177.954 -0.285 1
1 361 . 10 1 1 A 35 35 SER N N 35 120.001 116.883 3.118 1
1 362 . 10 1 1 A 35 35 SER H H 35 9.274 8.556 0.718 1
1 363 . 10 1 1 A 35 35 SER CA C 35 62.276 61.496 0.780 1
1 364 . 10 1 1 A 35 35 SER HA H 35 4.448 4.481 -0.033 1
1 365 . 10 1 1 A 35 35 SER CB C 35 62.255 62.440 -0.185 1
1 368 . 10 1 1 A 35 35 SER C C 35 177.305 177.269 0.036 1
1 369 . 10 1 1 A 36 36 CYS N N 36 120.840 119.643 1.197 1
1 370 . 10 1 1 A 36 36 CYS H H 36 7.894 8.400 -0.506 1
1 371 . 10 1 1 A 36 36 CYS CA C 36 62.416 63.008 -0.592 1
1 372 . 10 1 1 A 36 36 CYS HA H 36 4.310 4.251 0.059 1
1 373 . 10 1 1 A 36 36 CYS CB C 36 28.189 27.561 0.628 1
1 376 . 10 1 1 A 36 36 CYS C C 36 177.257 176.962 0.295 1
1 377 . 10 1 1 A 37 37 ALA N N 37 122.247 121.522 0.725 1
1 378 . 10 1 1 A 37 37 ALA H H 37 7.343 8.150 -0.807 1
1 379 . 10 1 1 A 37 37 ALA CA C 37 54.145 55.187 -1.042 1
1 380 . 10 1 1 A 37 37 ALA HA H 37 3.546 3.815 -0.269 1
1 381 . 10 1 1 A 37 37 ALA CB C 37 20.009 18.637 1.372 1
1 385 . 10 1 1 A 37 37 ALA C C 37 178.883 180.096 -1.213 1
1 386 . 10 1 1 A 38 38 TRP N N 38 117.352 118.565 -1.213 1
1 387 . 10 1 1 A 38 38 TRP H H 38 7.937 8.330 -0.393 1
1 388 . 10 1 1 A 38 38 TRP CA C 38 60.600 59.999 0.601 1
1 389 . 10 1 1 A 38 38 TRP HA H 38 4.276 4.407 -0.131 1
1 390 . 10 1 1 A 38 38 TRP CB C 38 29.693 29.088 0.605 1
1 405 . 10 1 1 A 38 38 TRP C C 38 178.664 179.178 -0.514 1
1 406 . 10 1 1 A 39 39 LYS N N 39 117.638 119.132 -1.494 1
1 407 . 10 1 1 A 39 39 LYS H H 39 8.102 7.814 0.288 1
1 408 . 10 1 1 A 39 39 LYS CA C 39 60.009 59.367 0.642 1
1 409 . 10 1 1 A 39 39 LYS HA H 39 4.031 4.057 -0.026 1
1 410 . 10 1 1 A 39 39 LYS CB C 39 32.471 32.481 -0.010 1
1 421 . 10 1 1 A 39 39 LYS C C 39 178.713 178.778 -0.065 1
1 422 . 10 1 1 A 40 40 GLU N N 40 120.486 120.392 0.094 1
1 423 . 10 1 1 A 40 40 GLU H H 40 6.821 7.914 -1.093 1
1 424 . 10 1 1 A 40 40 GLU CA C 40 58.486 59.190 -0.704 1
1 425 . 10 1 1 A 40 40 GLU HA H 40 4.350 4.086 0.264 1
1 426 . 10 1 1 A 40 40 GLU CB C 40 28.459 29.412 -0.953 1
1 432 . 10 1 1 A 40 40 GLU C C 40 178.543 179.497 -0.954 1
1 433 . 10 1 1 A 41 41 LEU N N 41 119.356 120.474 -1.118 1
1 434 . 10 1 1 A 41 41 LEU H H 41 8.291 8.773 -0.482 1
1 435 . 10 1 1 A 41 41 LEU CA C 41 59.002 58.060 0.942 1
1 436 . 10 1 1 A 41 41 LEU HA H 41 3.947 4.166 -0.219 1
1 437 . 10 1 1 A 41 41 LEU CB C 41 41.914 41.562 0.352 1
1 450 . 10 1 1 A 41 41 LEU C C 41 178.106 179.177 -1.071 1
1 451 . 10 1 1 A 42 42 ASN N N 42 113.310 117.171 -3.861 1
1 452 . 10 1 1 A 42 42 ASN H H 42 8.350 8.522 -0.172 1
1 453 . 10 1 1 A 42 42 ASN CA C 42 55.623 56.424 -0.801 1
1 454 . 10 1 1 A 42 42 ASN HA H 42 4.420 4.545 -0.125 1
1 455 . 10 1 1 A 42 42 ASN CB C 42 39.318 38.068 1.250 1
1 461 . 10 1 1 A 42 42 ASN C C 42 176.820 178.614 -1.794 1
1 462 . 10 1 1 A 43 43 ARG N N 43 117.734 120.646 -2.912 1
1 463 . 10 1 1 A 43 43 ARG H H 43 7.578 7.966 -0.388 1
1 464 . 10 1 1 A 43 43 ARG CA C 43 58.301 59.346 -1.045 1
1 465 . 10 1 1 A 43 43 ARG HA H 43 4.227 4.183 0.044 1
1 466 . 10 1 1 A 43 43 ARG CB C 43 31.361 30.414 0.947 1
1 475 . 10 1 1 A 43 43 ARG C C 43 178.106 178.387 -0.281 1
1 476 . 10 1 1 A 44 44 LYS N N 44 115.502 117.082 -1.580 1
1 477 . 10 1 1 A 44 44 LYS H H 44 7.365 7.319 0.046 1
1 478 . 10 1 1 A 44 44 LYS CA C 44 55.367 57.561 -2.194 1
1 479 . 10 1 1 A 44 44 LYS HA H 44 4.280 4.272 0.008 1
1 480 . 10 1 1 A 44 44 LYS CB C 44 34.289 33.363 0.926 1
1 491 . 10 1 1 A 44 44 LYS C C 44 176.504 176.792 -0.288 1
1 492 . 10 1 1 A 45 45 LEU N N 45 118.486 119.069 -0.583 1
1 493 . 10 1 1 A 45 45 LEU H H 45 7.977 7.904 0.073 1
1 494 . 10 1 1 A 45 45 LEU CA C 45 53.335 53.675 -0.340 1
1 495 . 10 1 1 A 45 45 LEU HA H 45 4.882 4.673 0.209 1
1 496 . 10 1 1 A 45 45 LEU CB C 45 45.307 43.632 1.675 1
1 509 . 10 1 1 A 45 45 LEU C C 45 176.771 176.227 0.544 1
1 510 . 10 1 1 A 46 46 SER N N 46 116.809 116.937 -0.128 1
1 511 . 10 1 1 A 46 46 SER H H 46 9.074 8.727 0.347 1
1 512 . 10 1 1 A 46 46 SER CA C 46 57.981 58.404 -0.423 1
1 513 . 10 1 1 A 46 46 SER HA H 46 4.407 4.564 -0.157 1
1 514 . 10 1 1 A 46 46 SER CB C 46 64.496 63.978 0.518 1
1 517 . 10 1 1 A 46 46 SER C C 46 175.387 175.665 -0.278 1
1 518 . 10 1 1 A 47 47 SER N N 47 117.511 123.245 -5.734 1
1 519 . 10 1 1 A 47 47 SER H H 47 8.955 8.995 -0.040 1
1 520 . 10 1 1 A 47 47 SER CA C 47 61.523 61.724 -0.201 1
1 521 . 10 1 1 A 47 47 SER HA H 47 4.197 4.099 0.098 1
1 522 . 10 1 1 A 47 47 SER CB C 47 62.412 62.771 -0.359 1
1 525 . 10 1 1 A 48 48 ASN H H 48 8.475 7.878 0.597 1
1 526 . 10 1 1 A 48 48 ASN CA C 48 56.327 55.750 0.577 1
1 527 . 10 1 1 A 48 48 ASN HA H 48 4.421 4.532 -0.111 1
1 528 . 10 1 1 A 48 48 ASN CB C 48 38.635 39.002 -0.367 1
1 534 . 10 1 1 A 48 48 ASN C C 48 177.232 177.095 0.137 1
1 535 . 10 1 1 A 49 49 ALA N N 49 123.504 121.595 1.909 1
1 536 . 10 1 1 A 49 49 ALA H H 49 7.837 8.230 -0.393 1
1 537 . 10 1 1 A 49 49 ALA CA C 49 55.271 55.411 -0.140 1
1 538 . 10 1 1 A 49 49 ALA HA H 49 4.171 4.034 0.137 1
1 539 . 10 1 1 A 49 49 ALA CB C 49 19.301 18.005 1.296 1
1 543 . 10 1 1 A 49 49 ALA C C 49 179.830 180.219 -0.389 1
1 544 . 10 1 1 A 50 50 VAL N N 50 115.694 116.906 -1.212 1
1 545 . 10 1 1 A 50 50 VAL H H 50 8.069 8.385 -0.316 1
1 546 . 10 1 1 A 50 50 VAL CA C 50 65.728 64.376 1.352 1
1 547 . 10 1 1 A 50 50 VAL HA H 50 3.645 3.838 -0.193 1
1 548 . 10 1 1 A 50 50 VAL CB C 50 31.836 31.687 0.149 1
1 558 . 10 1 1 A 50 50 VAL C C 50 178.567 177.294 1.273 1
1 559 . 10 1 1 A 51 51 SER N N 51 114.048 116.683 -2.635 1
1 560 . 10 1 1 A 51 51 SER H H 51 7.849 7.886 -0.037 1
1 561 . 10 1 1 A 51 51 SER CA C 51 60.756 60.724 0.032 1
1 562 . 10 1 1 A 51 51 SER HA H 51 4.334 4.240 0.094 1
1 563 . 10 1 1 A 51 51 SER CB C 51 63.383 62.898 0.485 1
1 565 . 10 1 1 A 51 51 SER C C 51 174.635 176.140 -1.505 1
1 566 . 10 1 1 A 52 52 GLN N N 52 118.482 118.311 0.171 1
1 567 . 10 1 1 A 52 52 GLN H H 52 7.564 8.005 -0.441 1
1 568 . 10 1 1 A 52 52 GLN CA C 52 55.306 57.441 -2.135 1
1 569 . 10 1 1 A 52 52 GLN HA H 52 4.389 4.423 -0.034 1
1 570 . 10 1 1 A 52 52 GLN CB C 52 29.217 29.028 0.189 1
1 579 . 10 1 1 A 52 52 GLN C C 52 175.315 176.726 -1.411 1
1 580 . 10 1 1 A 53 53 ILE N N 53 119.847 121.764 -1.917 1
1 581 . 10 1 1 A 53 53 ILE H H 53 7.281 7.085 0.196 1
1 582 . 10 1 1 A 53 53 ILE CA C 53 62.903 62.253 0.650 1
1 583 . 10 1 1 A 53 53 ILE HA H 53 4.417 4.088 0.329 1
1 584 . 10 1 1 A 53 53 ILE CB C 53 38.124 37.814 0.310 1
1 597 . 10 1 1 A 53 53 ILE C C 53 176.383 176.034 0.349 1
1 598 . 10 1 1 A 54 54 THR N N 54 120.582 118.618 1.964 1
1 599 . 10 1 1 A 54 54 THR H H 54 9.046 8.671 0.375 1
1 600 . 10 1 1 A 54 54 THR CA C 54 59.846 59.794 0.052 1
1 601 . 10 1 1 A 54 54 THR HA H 54 4.834 4.894 -0.060 1
1 602 . 10 1 1 A 54 54 THR CB C 54 71.904 71.809 0.095 1
1 608 . 10 1 1 A 54 54 THR C C 54 172.135 173.107 -0.972 1
1 609 . 10 1 1 A 55 55 ARG N N 55 118.375 123.051 -4.676 1
1 610 . 10 1 1 A 55 55 ARG H H 55 8.511 8.752 -0.241 1
1 611 . 10 1 1 A 55 55 ARG CA C 55 57.312 57.024 0.288 1
1 612 . 10 1 1 A 55 55 ARG HA H 55 3.782 3.820 -0.038 1
1 613 . 10 1 1 A 55 55 ARG CB C 55 28.704 28.527 0.177 1
1 622 . 10 1 1 A 55 55 ARG C C 55 174.684 174.634 0.050 1
1 623 . 10 1 1 A 56 56 MET N N 56 118.525 117.658 0.867 1
1 624 . 10 1 1 A 56 56 MET H H 56 8.279 8.118 0.161 1
1 625 . 10 1 1 A 56 56 MET CA C 56 55.799 53.923 1.876 1
1 626 . 10 1 1 A 56 56 MET HA H 56 5.188 5.075 0.113 1
1 627 . 10 1 1 A 56 56 MET CB C 56 33.062 33.583 -0.521 1
1 637 . 10 1 1 A 56 56 MET C C 56 177.572 174.944 2.628 1
1 638 . 10 1 1 A 57 57 CYS N N 57 126.541 124.670 1.871 1
1 639 . 10 1 1 A 57 57 CYS H H 57 9.340 8.307 1.033 1
1 640 . 10 1 1 A 57 57 CYS CA C 57 57.171 57.497 -0.326 1
1 641 . 10 1 1 A 57 57 CYS HA H 57 4.794 5.187 -0.393 1
1 642 . 10 1 1 A 57 57 CYS CB C 57 31.161 33.054 -1.893 1
1 645 . 10 1 1 A 57 57 CYS C C 57 173.057 173.857 -0.800 1
1 646 . 10 1 1 A 58 58 LEU N N 58 123.786 123.203 0.583 1
1 647 . 10 1 1 A 58 58 LEU H H 58 8.682 8.449 0.233 1
1 648 . 10 1 1 A 58 58 LEU CA C 58 55.975 54.618 1.357 1
1 649 . 10 1 1 A 58 58 LEU HA H 58 4.520 4.403 0.117 1
1 650 . 10 1 1 A 58 58 LEU CB C 58 43.097 42.476 0.621 1
1 663 . 10 1 1 A 58 58 LEU C C 58 177.960 177.146 0.814 1
1 664 . 10 1 1 A 59 59 LEU N N 59 124.007 122.748 1.259 1
1 665 . 10 1 1 A 59 59 LEU H H 59 8.269 8.251 0.018 1
1 666 . 10 1 1 A 59 59 LEU CA C 59 54.156 53.505 0.651 1
1 667 . 10 1 1 A 59 59 LEU HA H 59 4.261 4.736 -0.475 1
1 668 . 10 1 1 A 59 59 LEU CB C 59 42.986 42.957 0.029 1
1 681 . 10 1 1 A 59 59 LEU C C 59 177.645 176.060 1.585 1
1 682 . 10 1 1 A 60 60 LYS N N 60 122.593 122.338 0.255 1
1 683 . 10 1 1 A 60 60 LYS H H 60 8.458 8.620 -0.162 1
1 684 . 10 1 1 A 60 60 LYS CA C 60 58.263 58.125 0.138 1
1 685 . 10 1 1 A 60 60 LYS HA H 60 4.101 3.871 0.230 1
1 686 . 10 1 1 A 60 60 LYS CB C 60 31.732 32.107 -0.375 1
1 696 . 10 1 1 A 60 60 LYS C C 60 178.422 177.559 0.863 1
1 697 . 10 1 1 A 61 61 GLY H H 61 9.070 8.848 0.222 1
1 698 . 10 1 1 A 61 61 GLY CA C 61 45.355 45.656 -0.301 1
1 699 . 10 1 1 A 61 61 GLY HA2 H 61 3.641 3.973 -0.332 1
1 700 . 10 1 1 A 61 61 GLY HA3 H 61 4.223 3.977 0.246 1
1 701 . 10 1 1 A 61 61 GLY C C 61 173.907 174.421 -0.514 1
1 702 . 10 1 1 A 62 62 ASN N N 62 112.617 111.784 0.833 1
1 703 . 10 1 1 A 62 62 ASN H H 62 8.639 8.257 0.382 1
1 704 . 10 1 1 A 62 62 ASN CA C 62 55.115 54.538 0.577 1
1 705 . 10 1 1 A 62 62 ASN HA H 62 4.208 4.437 -0.229 1
1 706 . 10 1 1 A 62 62 ASN CB C 62 36.133 37.015 -0.882 1
1 712 . 10 1 1 A 62 62 ASN C C 62 173.810 175.213 -1.403 1
1 713 . 10 1 1 A 63 63 MET N N 63 114.254 116.316 -2.062 1
1 714 . 10 1 1 A 63 63 MET H H 63 7.967 8.129 -0.162 1
1 715 . 10 1 1 A 63 63 MET CA C 63 53.229 56.084 -2.855 1
1 716 . 10 1 1 A 63 63 MET HA H 63 4.908 4.425 0.483 1
1 717 . 10 1 1 A 63 63 MET CB C 63 29.363 32.603 -3.240 1
1 727 . 10 1 1 A 63 63 MET C C 63 175.436 175.804 -0.368 1
1 728 . 10 1 1 A 64 64 GLY N N 64 102.826 105.351 -2.525 1
1 729 . 10 1 1 A 64 64 GLY H H 64 7.039 7.458 -0.419 1
1 730 . 10 1 1 A 64 64 GLY CA C 64 45.381 45.894 -0.513 1
1 731 . 10 1 1 A 64 64 GLY HA2 H 64 4.902 4.066 0.836 1
1 732 . 10 1 1 A 64 64 GLY HA3 H 64 4.026 4.153 -0.127 1
1 733 . 10 1 1 A 64 64 GLY C C 64 171.868 171.489 0.379 1
1 734 . 10 1 1 A 65 65 VAL N N 65 110.602 115.160 -4.558 1
1 735 . 10 1 1 A 65 65 VAL H H 65 8.994 8.645 0.349 1
1 736 . 10 1 1 A 65 65 VAL CA C 65 58.892 59.304 -0.412 1
1 737 . 10 1 1 A 65 65 VAL HA H 65 5.511 5.058 0.453 1
1 738 . 10 1 1 A 65 65 VAL CB C 65 36.392 36.108 0.284 1
1 748 . 10 1 1 A 65 65 VAL C C 65 174.319 174.285 0.034 1
1 749 . 10 1 1 A 66 66 CYS N N 66 115.721 121.420 -5.699 1
1 750 . 10 1 1 A 66 66 CYS H H 66 9.175 8.666 0.509 1
1 751 . 10 1 1 A 66 66 CYS CA C 66 54.912 56.539 -1.627 1
1 752 . 10 1 1 A 66 66 CYS HA H 66 5.590 5.371 0.219 1
1 753 . 10 1 1 A 66 66 CYS CB C 66 31.672 30.522 1.150 1
1 756 . 10 1 1 A 66 66 CYS C C 66 171.941 173.457 -1.516 1
1 757 . 10 1 1 A 67 67 PHE N N 67 114.941 118.467 -3.526 1
1 758 . 10 1 1 A 67 67 PHE H H 67 8.220 8.722 -0.502 1
1 759 . 10 1 1 A 67 67 PHE CA C 67 56.468 55.740 0.728 1
1 760 . 10 1 1 A 67 67 PHE HA H 67 4.879 5.427 -0.548 1
1 761 . 10 1 1 A 67 67 PHE CB C 67 39.366 41.292 -1.926 1
1 774 . 10 1 1 A 67 67 PHE C C 67 171.552 171.931 -0.379 1
1 775 . 10 1 1 A 68 68 ASP N N 68 119.507 119.764 -0.257 1
1 776 . 10 1 1 A 68 68 ASP H H 68 9.072 9.012 0.060 1
1 777 . 10 1 1 A 68 68 ASP CA C 68 52.737 53.102 -0.365 1
1 778 . 10 1 1 A 68 68 ASP HA H 68 5.901 5.735 0.166 1
1 779 . 10 1 1 A 68 68 ASP CB C 68 42.545 43.405 -0.860 1
1 782 . 10 1 1 A 68 68 ASP C C 68 176.116 175.889 0.227 1
1 783 . 10 1 1 A 69 69 VAL N N 69 114.937 117.449 -2.512 1
1 784 . 10 1 1 A 69 69 VAL H H 69 8.819 8.947 -0.128 1
1 785 . 10 1 1 A 69 69 VAL CA C 69 58.051 57.920 0.131 1
1 786 . 10 1 1 A 69 69 VAL HA H 69 5.205 4.933 0.272 1
1 787 . 10 1 1 A 69 69 VAL CB C 69 35.698 34.814 0.884 1
1 797 . 10 1 1 A 69 69 VAL C C 69 173.154 172.725 0.429 1
1 798 . 10 1 1 A 70 70 PRO CA C 70 62.946 61.789 1.157 1
1 799 . 10 1 1 A 70 70 PRO HA H 70 4.479 3.495 0.984 1
1 800 . 10 1 1 A 70 70 PRO CB C 70 32.255 32.257 -0.002 1
1 809 . 10 1 1 A 70 70 PRO C C 70 178.737 177.293 1.444 1
1 810 . 10 1 1 A 71 71 THR N N 71 119.743 116.899 2.844 1
1 811 . 10 1 1 A 71 71 THR H H 71 8.401 8.454 -0.053 1
1 812 . 10 1 1 A 71 71 THR CA C 71 66.415 65.106 1.309 1
1 813 . 10 1 1 A 71 71 THR HA H 71 3.761 4.015 -0.254 1
1 814 . 10 1 1 A 71 71 THR CB C 71 68.476 68.328 0.148 1
1 820 . 10 1 1 A 71 71 THR C C 71 176.965 176.049 0.916 1
1 821 . 10 1 1 A 72 72 THR N N 72 109.724 116.343 -6.619 1
1 822 . 10 1 1 A 72 72 THR H H 72 7.747 7.935 -0.188 1
1 823 . 10 1 1 A 72 72 THR CA C 72 64.100 67.520 -3.420 1
1 824 . 10 1 1 A 72 72 THR HA H 72 4.120 3.887 0.233 1
1 825 . 10 1 1 A 72 72 THR CB C 72 68.471 68.406 0.065 1
1 831 . 10 1 1 A 72 72 THR C C 72 175.849 175.612 0.237 1
1 832 . 10 1 1 A 73 73 GLU N N 73 118.626 121.035 -2.409 1
1 833 . 10 1 1 A 73 73 GLU H H 73 7.767 7.408 0.359 1
1 834 . 10 1 1 A 73 73 GLU CA C 73 55.623 58.813 -3.190 1
1 835 . 10 1 1 A 73 73 GLU HA H 73 4.587 4.123 0.464 1
1 836 . 10 1 1 A 73 73 GLU CB C 73 30.542 29.445 1.097 1
1 842 . 10 1 1 A 73 73 GLU C C 73 177.257 178.522 -1.265 1
1 843 . 10 1 1 A 74 74 SER N N 74 114.932 115.977 -1.045 1
1 844 . 10 1 1 A 74 74 SER H H 74 7.442 8.096 -0.654 1
1 845 . 10 1 1 A 74 74 SER CA C 74 62.099 61.270 0.829 1
1 846 . 10 1 1 A 74 74 SER HA H 74 3.938 4.225 -0.287 1
1 847 . 10 1 1 A 74 74 SER CB C 74 63.067 62.381 0.686 1
1 850 . 10 1 1 A 74 74 SER C C 74 176.528 177.379 -0.851 1
1 851 . 10 1 1 A 75 75 GLU N N 75 120.907 122.989 -2.082 1
1 852 . 10 1 1 A 75 75 GLU H H 75 8.350 7.563 0.787 1
1 853 . 10 1 1 A 75 75 GLU CA C 75 59.706 59.312 0.394 1
1 854 . 10 1 1 A 75 75 GLU HA H 75 4.045 4.136 -0.091 1
1 855 . 10 1 1 A 75 75 GLU CB C 75 29.085 29.549 -0.464 1
1 861 . 10 1 1 A 75 75 GLU C C 75 179.320 179.172 0.148 1
1 862 . 10 1 1 A 76 76 ARG N N 76 121.343 119.963 1.380 1
1 863 . 10 1 1 A 76 76 ARG H H 76 7.948 8.007 -0.059 1
1 864 . 10 1 1 A 76 76 ARG CA C 76 59.188 58.277 0.911 1
1 865 . 10 1 1 A 76 76 ARG HA H 76 4.094 4.105 -0.011 1
1 866 . 10 1 1 A 76 76 ARG CB C 76 29.726 29.783 -0.057 1
1 875 . 10 1 1 A 76 76 ARG C C 76 178.373 178.607 -0.234 1
1 876 . 10 1 1 A 77 77 LEU N N 77 120.110 120.183 -0.073 1
1 877 . 10 1 1 A 77 77 LEU H H 77 8.029 8.695 -0.666 1
1 878 . 10 1 1 A 77 77 LEU CA C 77 59.809 58.126 1.683 1
1 879 . 10 1 1 A 77 77 LEU HA H 77 3.975 4.041 -0.066 1
1 880 . 10 1 1 A 77 77 LEU CB C 77 42.216 41.389 0.827 1
1 893 . 10 1 1 A 77 77 LEU C C 77 178.810 179.693 -0.883 1
1 894 . 10 1 1 A 78 78 GLN N N 78 114.090 118.085 -3.995 1
1 895 . 10 1 1 A 78 78 GLN H H 78 7.680 7.675 0.005 1
1 896 . 10 1 1 A 78 78 GLN CA C 78 59.600 59.040 0.560 1
1 897 . 10 1 1 A 78 78 GLN HA H 78 3.915 4.172 -0.257 1
1 898 . 10 1 1 A 78 78 GLN CB C 78 30.101 28.555 1.546 1
1 907 . 10 1 1 A 78 78 GLN C C 78 178.325 178.105 0.220 1
1 908 . 10 1 1 A 79 79 ALA N N 79 119.863 122.646 -2.783 1
1 909 . 10 1 1 A 79 79 ALA H H 79 7.900 7.881 0.019 1
1 910 . 10 1 1 A 79 79 ALA CA C 79 54.321 54.716 -0.395 1
1 911 . 10 1 1 A 79 79 ALA HA H 79 4.255 4.229 0.026 1
1 912 . 10 1 1 A 79 79 ALA CB C 79 18.596 18.522 0.074 1
1 916 . 10 1 1 A 79 79 ALA C C 79 179.514 179.488 0.026 1
1 917 . 10 1 1 A 80 80 GLU N N 80 115.847 115.245 0.602 1
1 918 . 10 1 1 A 80 80 GLU H H 80 7.773 8.449 -0.676 1
1 919 . 10 1 1 A 80 80 GLU CA C 80 57.312 58.497 -1.185 1
1 920 . 10 1 1 A 80 80 GLU HA H 80 4.286 4.317 -0.031 1
1 921 . 10 1 1 A 80 80 GLU CB C 80 31.095 29.970 1.125 1
1 927 . 10 1 1 A 80 80 GLU C C 80 176.965 177.371 -0.406 1
1 928 . 10 1 1 A 81 81 TRP N N 81 122.132 123.169 -1.037 1
1 929 . 10 1 1 A 81 81 TRP H H 81 7.661 7.491 0.170 1
1 930 . 10 1 1 A 81 81 TRP CA C 81 58.641 59.088 -0.447 1
1 931 . 10 1 1 A 81 81 TRP HA H 81 4.261 4.588 -0.327 1
1 932 . 10 1 1 A 81 81 TRP CB C 81 29.118 29.850 -0.732 1
1 947 . 10 1 1 A 81 81 TRP C C 81 174.611 175.680 -1.069 1
1 948 . 10 1 1 A 82 82 HIS CA C 82 54.101 55.398 -1.297 1
1 949 . 10 1 1 A 82 82 HIS HA H 82 4.727 4.569 0.158 1
1 950 . 10 1 1 A 82 82 HIS CB C 82 30.847 32.296 -1.449 1
1 957 . 10 1 1 A 83 83 ASP CA C 83 54.997 54.993 0.004 1
1 958 . 10 1 1 A 83 83 ASP HA H 83 4.342 4.140 0.202 1
1 959 . 10 1 1 A 83 83 ASP CB C 83 40.395 39.799 0.596 1
1 962 . 10 1 1 A 83 83 ASP C C 83 174.198 174.521 -0.323 1
1 963 . 10 1 1 A 84 84 SER N N 84 111.986 113.471 -1.485 1
1 964 . 10 1 1 A 84 84 SER H H 84 7.863 7.448 0.415 1
1 965 . 10 1 1 A 84 84 SER CA C 84 56.714 57.567 -0.853 1
1 966 . 10 1 1 A 84 84 SER HA H 84 4.584 4.931 -0.347 1
1 967 . 10 1 1 A 84 84 SER CB C 84 64.374 66.336 -1.962 1
1 970 . 10 1 1 A 84 84 SER C C 84 174.489 173.385 1.104 1
1 971 . 10 1 1 A 85 85 ASP N N 85 125.547 122.937 2.610 1
1 972 . 10 1 1 A 85 85 ASP H H 85 9.268 8.768 0.500 1
1 973 . 10 1 1 A 85 85 ASP CA C 85 55.447 54.403 1.044 1
1 974 . 10 1 1 A 85 85 ASP HA H 85 4.704 4.944 -0.240 1
1 975 . 10 1 1 A 85 85 ASP CB C 85 40.980 41.514 -0.534 1
1 978 . 10 1 1 A 85 85 ASP C C 85 177.038 174.226 2.812 1
1 979 . 10 1 1 A 86 86 TRP N N 86 121.831 119.913 1.918 1
1 980 . 10 1 1 A 86 86 TRP H H 86 9.345 7.914 1.431 1
1 981 . 10 1 1 A 86 86 TRP CA C 86 56.967 55.640 1.327 1
1 982 . 10 1 1 A 86 86 TRP HA H 86 5.091 5.373 -0.282 1
1 983 . 10 1 1 A 86 86 TRP CB C 86 29.118 32.875 -3.757 1
1 998 . 10 1 1 A 86 86 TRP C C 86 176.723 176.038 0.685 1
1 999 . 10 1 1 A 87 87 ILE N N 87 123.116 125.034 -1.918 1
1 1000 . 10 1 1 A 87 87 ILE H H 87 8.965 8.663 0.302 1
1 1001 . 10 1 1 A 87 87 ILE CA C 87 60.595 61.428 -0.833 1
1 1002 . 10 1 1 A 87 87 ILE HA H 87 4.462 4.489 -0.027 1
1 1003 . 10 1 1 A 87 87 ILE CB C 87 40.354 37.828 2.526 1
1 1016 . 10 1 1 A 87 87 ILE C C 87 175.824 175.188 0.636 1
1 1017 . 10 1 1 A 88 88 LEU N N 88 134.475 130.261 4.214 1
1 1018 . 10 1 1 A 88 88 LEU H H 88 8.736 8.955 -0.219 1
1 1019 . 10 1 1 A 88 88 LEU CA C 88 53.763 53.498 0.265 1
1 1020 . 10 1 1 A 88 88 LEU HA H 88 5.163 4.858 0.305 1
1 1021 . 10 1 1 A 88 88 LEU CB C 88 43.020 43.758 -0.738 1
1 1034 . 10 1 1 A 88 88 LEU C C 88 175.824 174.756 1.068 1
1 1035 . 10 1 1 A 89 89 SER N N 89 122.016 124.532 -2.516 1
1 1036 . 10 1 1 A 89 89 SER H H 89 9.152 8.984 0.168 1
1 1037 . 10 1 1 A 89 89 SER CA C 89 57.242 57.129 0.113 1
1 1038 . 10 1 1 A 89 89 SER HA H 89 4.739 5.328 -0.589 1
1 1039 . 10 1 1 A 89 89 SER CB C 89 65.526 66.203 -0.677 1
1 1042 . 10 1 1 A 89 89 SER C C 89 171.989 172.511 -0.522 1
1 1043 . 10 1 1 A 90 90 VAL N N 90 119.844 121.652 -1.808 1
1 1044 . 10 1 1 A 90 90 VAL H H 90 8.220 8.722 -0.502 1
1 1045 . 10 1 1 A 90 90 VAL CA C 90 59.143 59.112 0.031 1
1 1046 . 10 1 1 A 90 90 VAL HA H 90 4.604 4.603 0.001 1
1 1047 . 10 1 1 A 90 90 VAL CB C 90 33.056 33.069 -0.013 1
1 1057 . 10 1 1 A 90 90 VAL C C 90 174.198 174.090 0.108 1
1 1058 . 10 1 1 A 91 91 PRO CA C 91 63.467 62.444 1.023 1
1 1059 . 10 1 1 A 91 91 PRO HA H 91 4.329 4.712 -0.383 1
1 1060 . 10 1 1 A 91 91 PRO CB C 91 32.003 33.169 -1.166 1
1 1069 . 10 1 1 A 91 91 PRO C C 91 175.557 175.236 0.321 1
1 1 . 11 1 1 A 6 6 SER CA C 6 58.720 56.457 2.263 1
1 2 . 11 1 1 A 6 6 SER HA H 6 4.456 4.871 -0.415 1
1 3 . 11 1 1 A 6 6 SER CB C 6 63.880 66.018 -2.138 1
1 6 . 11 1 1 A 6 6 SER C C 6 174.951 174.198 0.753 1
1 7 . 11 1 1 A 7 7 GLY N N 7 110.558 112.291 -1.733 1
1 8 . 11 1 1 A 7 7 GLY H H 7 8.377 8.581 -0.204 1
1 9 . 11 1 1 A 7 7 GLY CA C 7 45.205 46.232 -1.027 1
1 10 . 11 1 1 A 7 7 GLY HA2 H 7 3.879 3.963 -0.084 1
1 11 . 11 1 1 A 7 7 GLY HA3 H 7 3.910 3.976 -0.066 1
1 12 . 11 1 1 A 7 7 GLY C C 7 173.615 174.307 -0.692 1
1 13 . 11 1 1 A 8 8 PHE N N 8 119.857 120.813 -0.956 1
1 14 . 11 1 1 A 8 8 PHE H H 8 8.062 8.954 -0.892 1
1 15 . 11 1 1 A 8 8 PHE CA C 8 57.418 58.556 -1.138 1
1 16 . 11 1 1 A 8 8 PHE HA H 8 4.624 4.213 0.411 1
1 17 . 11 1 1 A 8 8 PHE CB C 8 39.749 37.399 2.350 1
1 30 . 11 1 1 A 8 8 PHE C C 8 175.242 174.877 0.365 1
1 31 . 11 1 1 A 9 9 GLU N N 9 124.807 120.041 4.766 1
1 32 . 11 1 1 A 9 9 GLU H H 9 8.311 7.844 0.467 1
1 33 . 11 1 1 A 9 9 GLU CA C 9 54.034 55.259 -1.225 1
1 34 . 11 1 1 A 9 9 GLU HA H 9 4.546 4.490 0.056 1
1 35 . 11 1 1 A 9 9 GLU CB C 9 29.859 28.612 1.247 1
1 40 . 11 1 1 A 9 9 GLU C C 9 174.125 174.662 -0.537 1
1 41 . 11 1 1 A 10 10 PRO CA C 10 63.366 62.879 0.487 1
1 42 . 11 1 1 A 10 10 PRO HA H 10 4.334 4.657 -0.323 1
1 43 . 11 1 1 A 10 10 PRO CB C 10 32.033 32.351 -0.318 1
1 52 . 11 1 1 A 10 10 PRO C C 10 177.062 176.593 0.469 1
1 53 . 11 1 1 A 11 11 ARG N N 11 120.726 122.650 -1.924 1
1 54 . 11 1 1 A 11 11 ARG H H 11 8.477 8.502 -0.025 1
1 55 . 11 1 1 A 11 11 ARG CA C 11 56.175 56.246 -0.071 1
1 56 . 11 1 1 A 11 11 ARG HA H 11 4.318 4.441 -0.123 1
1 57 . 11 1 1 A 11 11 ARG CB C 11 30.831 31.073 -0.242 1
1 66 . 11 1 1 A 11 11 ARG C C 11 176.455 175.617 0.838 1
1 67 . 11 1 1 A 12 12 SER N N 12 116.599 117.457 -0.858 1
1 68 . 11 1 1 A 12 12 SER H H 12 8.289 8.833 -0.544 1
1 69 . 11 1 1 A 12 12 SER CA C 12 58.330 57.056 1.274 1
1 70 . 11 1 1 A 12 12 SER HA H 12 4.396 5.104 -0.708 1
1 71 . 11 1 1 A 12 12 SER CB C 12 63.633 66.916 -3.283 1
1 74 . 11 1 1 A 12 12 SER C C 12 174.465 173.255 1.210 1
1 75 . 11 1 1 A 13 13 LEU N N 13 124.186 120.596 3.590 1
1 76 . 11 1 1 A 13 13 LEU H H 13 8.275 8.427 -0.152 1
1 77 . 11 1 1 A 13 13 LEU CA C 13 55.306 54.148 1.158 1
1 78 . 11 1 1 A 13 13 LEU HA H 13 4.361 4.571 -0.210 1
1 79 . 11 1 1 A 13 13 LEU CB C 13 42.350 42.532 -0.182 1
1 92 . 11 1 1 A 13 13 LEU C C 13 177.184 176.046 1.138 1
1 93 . 11 1 1 A 14 14 ILE N N 14 121.445 122.496 -1.051 1
1 94 . 11 1 1 A 14 14 ILE H H 14 8.106 8.568 -0.462 1
1 95 . 11 1 1 A 14 14 ILE CA C 14 61.248 59.687 1.561 1
1 96 . 11 1 1 A 14 14 ILE HA H 14 4.202 5.076 -0.874 1
1 97 . 11 1 1 A 14 14 ILE CB C 14 38.555 41.196 -2.641 1
1 110 . 11 1 1 A 14 14 ILE C C 14 176.528 175.125 1.403 1
1 111 . 11 1 1 A 15 15 THR N N 15 118.053 119.467 -1.414 1
1 112 . 11 1 1 A 15 15 THR H H 15 8.226 8.730 -0.504 1
1 113 . 11 1 1 A 15 15 THR CA C 15 61.573 60.619 0.954 1
1 114 . 11 1 1 A 15 15 THR HA H 15 4.401 5.291 -0.890 1
1 115 . 11 1 1 A 15 15 THR CB C 15 69.795 71.087 -1.292 1
1 121 . 11 1 1 A 15 15 THR C C 15 174.538 173.728 0.810 1
1 122 . 11 1 1 A 16 16 SER N N 16 117.877 119.772 -1.895 1
1 123 . 11 1 1 A 16 16 SER H H 16 8.272 8.812 -0.540 1
1 124 . 11 1 1 A 16 16 SER CA C 16 55.830 57.128 -1.298 1
1 125 . 11 1 1 A 16 16 SER HA H 16 4.448 5.192 -0.744 1
1 126 . 11 1 1 A 16 16 SER CB C 16 63.880 66.429 -2.549 1
1 129 . 11 1 1 A 16 16 SER C C 16 174.247 172.729 1.518 1
1 130 . 11 1 1 A 17 17 ASP N N 17 122.892 122.012 0.880 1
1 131 . 11 1 1 A 17 17 ASP H H 17 8.425 8.713 -0.288 1
1 132 . 11 1 1 A 17 17 ASP CA C 17 54.461 53.213 1.248 1
1 133 . 11 1 1 A 17 17 ASP HA H 17 4.611 4.956 -0.345 1
1 134 . 11 1 1 A 17 17 ASP CB C 17 41.340 42.444 -1.104 1
1 137 . 11 1 1 A 17 17 ASP C C 17 176.358 175.174 1.184 1
1 138 . 11 1 1 A 18 18 LYS N N 18 121.459 119.902 1.557 1
1 139 . 11 1 1 A 18 18 LYS H H 18 8.349 7.570 0.779 1
1 140 . 11 1 1 A 18 18 LYS CA C 18 56.526 54.091 2.435 1
1 141 . 11 1 1 A 18 18 LYS HA H 18 4.356 4.817 -0.461 1
1 142 . 11 1 1 A 18 18 LYS CB C 18 32.744 35.528 -2.784 1
1 152 . 11 1 1 A 18 18 LYS C C 18 177.305 176.479 0.826 1
1 153 . 11 1 1 A 19 19 GLY N N 19 109.072 111.603 -2.531 1
1 154 . 11 1 1 A 19 19 GLY H H 19 8.533 8.662 -0.129 1
1 155 . 11 1 1 A 19 19 GLY CA C 19 45.451 45.234 0.217 1
1 156 . 11 1 1 A 19 19 GLY HA2 H 19 3.884 4.053 -0.169 1
1 157 . 11 1 1 A 19 19 GLY HA3 H 19 3.960 4.133 -0.173 1
1 158 . 11 1 1 A 19 19 GLY C C 19 174.028 173.587 0.441 1
1 159 . 11 1 1 A 20 20 PHE N N 20 119.395 119.059 0.336 1
1 160 . 11 1 1 A 20 20 PHE H H 20 8.014 7.873 0.141 1
1 161 . 11 1 1 A 20 20 PHE CA C 20 56.992 56.488 0.504 1
1 162 . 11 1 1 A 20 20 PHE HA H 20 5.166 5.202 -0.036 1
1 163 . 11 1 1 A 20 20 PHE CB C 20 43.122 43.743 -0.621 1
1 176 . 11 1 1 A 20 20 PHE C C 20 174.247 174.241 0.006 1
1 177 . 11 1 1 A 21 21 VAL N N 21 119.613 117.914 1.699 1
1 178 . 11 1 1 A 21 21 VAL H H 21 9.282 9.100 0.182 1
1 179 . 11 1 1 A 21 21 VAL CA C 21 60.286 60.195 0.091 1
1 180 . 11 1 1 A 21 21 VAL HA H 21 4.403 4.856 -0.453 1
1 181 . 11 1 1 A 21 21 VAL CB C 21 35.624 35.873 -0.249 1
1 191 . 11 1 1 A 21 21 VAL C C 21 174.077 174.339 -0.262 1
1 192 . 11 1 1 A 22 22 THR N N 22 123.150 122.422 0.728 1
1 193 . 11 1 1 A 22 22 THR H H 22 8.226 8.886 -0.660 1
1 194 . 11 1 1 A 22 22 THR CA C 22 61.672 62.019 -0.347 1
1 195 . 11 1 1 A 22 22 THR HA H 22 5.214 4.717 0.497 1
1 196 . 11 1 1 A 22 22 THR CB C 22 69.636 70.330 -0.694 1
1 202 . 11 1 1 A 22 22 THR C C 22 174.319 173.794 0.525 1
1 203 . 11 1 1 A 23 23 MET N N 23 125.701 122.427 3.274 1
1 204 . 11 1 1 A 23 23 MET H H 23 9.254 8.931 0.323 1
1 205 . 11 1 1 A 23 23 MET CA C 23 54.250 54.017 0.233 1
1 206 . 11 1 1 A 23 23 MET HA H 23 4.680 4.893 -0.213 1
1 207 . 11 1 1 A 23 23 MET CB C 23 34.967 36.710 -1.743 1
1 217 . 11 1 1 A 23 23 MET C C 23 174.028 174.259 -0.231 1
1 218 . 11 1 1 A 24 24 THR N N 24 109.251 115.920 -6.669 1
1 219 . 11 1 1 A 24 24 THR H H 24 8.410 8.768 -0.358 1
1 220 . 11 1 1 A 24 24 THR CA C 24 59.952 61.186 -1.234 1
1 221 . 11 1 1 A 24 24 THR HA H 24 4.838 5.172 -0.334 1
1 222 . 11 1 1 A 24 24 THR CB C 24 71.427 71.914 -0.487 1
1 228 . 11 1 1 A 24 24 THR C C 24 172.353 173.435 -1.082 1
1 229 . 11 1 1 A 25 25 LEU N N 25 125.384 125.708 -0.324 1
1 230 . 11 1 1 A 25 25 LEU H H 25 8.901 8.441 0.460 1
1 231 . 11 1 1 A 25 25 LEU CA C 25 53.373 54.265 -0.892 1
1 232 . 11 1 1 A 25 25 LEU HA H 25 5.333 5.061 0.272 1
1 233 . 11 1 1 A 25 25 LEU CB C 25 45.607 45.295 0.312 1
1 246 . 11 1 1 A 25 25 LEU C C 25 175.606 174.849 0.757 1
1 247 . 11 1 1 A 26 26 GLU N N 26 125.482 126.966 -1.484 1
1 248 . 11 1 1 A 26 26 GLU H H 26 9.147 8.902 0.245 1
1 249 . 11 1 1 A 26 26 GLU CA C 26 56.010 55.153 0.857 1
1 250 . 11 1 1 A 26 26 GLU HA H 26 4.922 4.802 0.120 1
1 251 . 11 1 1 A 26 26 GLU CB C 26 33.588 31.819 1.769 1
1 257 . 11 1 1 A 26 26 GLU C C 26 175.387 176.153 -0.766 1
1 258 . 11 1 1 A 27 27 SER N N 27 118.827 120.110 -1.283 1
1 259 . 11 1 1 A 27 27 SER H H 27 8.432 8.680 -0.248 1
1 260 . 11 1 1 A 27 27 SER CA C 27 55.236 57.190 -1.954 1
1 261 . 11 1 1 A 27 27 SER HA H 27 3.720 3.821 -0.101 1
1 262 . 11 1 1 A 27 27 SER CB C 27 63.703 64.368 -0.665 1
1 265 . 11 1 1 A 27 27 SER C C 27 173.980 173.928 0.052 1
1 266 . 11 1 1 A 28 28 LEU N N 28 121.319 121.874 -0.555 1
1 267 . 11 1 1 A 28 28 LEU H H 28 7.990 8.443 -0.453 1
1 268 . 11 1 1 A 28 28 LEU CA C 28 55.887 55.812 0.075 1
1 269 . 11 1 1 A 28 28 LEU HA H 28 4.071 4.302 -0.231 1
1 270 . 11 1 1 A 28 28 LEU CB C 28 42.184 42.728 -0.544 1
1 283 . 11 1 1 A 28 28 LEU C C 28 177.159 176.359 0.800 1
1 284 . 11 1 1 A 29 29 GLU N N 29 115.740 117.829 -2.089 1
1 285 . 11 1 1 A 29 29 GLU H H 29 7.458 7.602 -0.144 1
1 286 . 11 1 1 A 29 29 GLU CA C 29 53.658 55.034 -1.376 1
1 287 . 11 1 1 A 29 29 GLU HA H 29 4.444 4.572 -0.128 1
1 288 . 11 1 1 A 29 29 GLU CB C 29 33.209 33.350 -0.141 1
1 294 . 11 1 1 A 29 29 GLU C C 29 174.417 174.052 0.365 1
1 295 . 11 1 1 A 30 30 GLU N N 30 122.052 120.737 1.315 1
1 296 . 11 1 1 A 30 30 GLU H H 30 8.500 8.542 -0.042 1
1 297 . 11 1 1 A 30 30 GLU CA C 30 57.621 56.124 1.497 1
1 298 . 11 1 1 A 30 30 GLU HA H 30 4.297 4.386 -0.089 1
1 299 . 11 1 1 A 30 30 GLU CB C 30 30.403 30.634 -0.231 1
1 305 . 11 1 1 A 30 30 GLU C C 30 177.087 176.133 0.954 1
1 306 . 11 1 1 A 31 31 ILE N N 31 120.377 120.917 -0.540 1
1 307 . 11 1 1 A 31 31 ILE H H 31 8.828 8.570 0.258 1
1 308 . 11 1 1 A 31 31 ILE CA C 31 59.741 58.451 1.290 1
1 309 . 11 1 1 A 31 31 ILE HA H 31 4.680 4.753 -0.073 1
1 310 . 11 1 1 A 31 31 ILE CB C 31 40.845 40.731 0.114 1
1 323 . 11 1 1 A 31 31 ILE C C 31 175.776 176.573 -0.797 1
1 324 . 11 1 1 A 32 32 GLN N N 32 119.444 121.799 -2.355 1
1 325 . 11 1 1 A 32 32 GLN H H 32 8.668 8.857 -0.189 1
1 326 . 11 1 1 A 32 32 GLN CA C 32 57.277 58.203 -0.926 1
1 327 . 11 1 1 A 32 32 GLN HA H 32 4.302 4.151 0.151 1
1 328 . 11 1 1 A 32 32 GLN CB C 32 30.079 29.586 0.493 1
1 337 . 11 1 1 A 32 32 GLN C C 32 175.824 174.928 0.896 1
1 338 . 11 1 1 A 33 33 ASP N N 33 113.908 117.572 -3.664 1
1 339 . 11 1 1 A 33 33 ASP H H 33 7.684 7.387 0.297 1
1 340 . 11 1 1 A 33 33 ASP CA C 33 53.441 53.388 0.053 1
1 341 . 11 1 1 A 33 33 ASP HA H 33 4.754 4.911 -0.157 1
1 342 . 11 1 1 A 33 33 ASP CB C 33 43.727 43.800 -0.073 1
1 345 . 11 1 1 A 33 33 ASP C C 33 175.824 175.682 0.142 1
1 346 . 11 1 1 A 34 34 VAL N N 34 114.196 123.262 -9.066 1
1 347 . 11 1 1 A 34 34 VAL H H 34 8.640 8.762 -0.122 1
1 348 . 11 1 1 A 34 34 VAL CA C 34 64.836 65.232 -0.396 1
1 349 . 11 1 1 A 34 34 VAL HA H 34 3.910 3.918 -0.008 1
1 350 . 11 1 1 A 34 34 VAL CB C 34 31.539 31.654 -0.115 1
1 360 . 11 1 1 A 34 34 VAL C C 34 177.669 177.724 -0.055 1
1 361 . 11 1 1 A 35 35 SER N N 35 120.001 116.478 3.523 1
1 362 . 11 1 1 A 35 35 SER H H 35 9.274 8.191 1.083 1
1 363 . 11 1 1 A 35 35 SER CA C 35 62.276 62.178 0.098 1
1 364 . 11 1 1 A 35 35 SER HA H 35 4.448 4.419 0.029 1
1 365 . 11 1 1 A 35 35 SER CB C 35 62.255 63.066 -0.811 1
1 368 . 11 1 1 A 35 35 SER C C 35 177.305 176.568 0.737 1
1 369 . 11 1 1 A 36 36 CYS N N 36 120.840 120.401 0.439 1
1 370 . 11 1 1 A 36 36 CYS H H 36 7.894 8.449 -0.555 1
1 371 . 11 1 1 A 36 36 CYS CA C 36 62.416 63.211 -0.795 1
1 372 . 11 1 1 A 36 36 CYS HA H 36 4.310 4.326 -0.016 1
1 373 . 11 1 1 A 36 36 CYS CB C 36 28.189 27.333 0.856 1
1 376 . 11 1 1 A 36 36 CYS C C 36 177.257 176.683 0.574 1
1 377 . 11 1 1 A 37 37 ALA N N 37 122.247 121.964 0.283 1
1 378 . 11 1 1 A 37 37 ALA H H 37 7.343 7.980 -0.637 1
1 379 . 11 1 1 A 37 37 ALA CA C 37 54.145 54.682 -0.537 1
1 380 . 11 1 1 A 37 37 ALA HA H 37 3.546 3.427 0.119 1
1 381 . 11 1 1 A 37 37 ALA CB C 37 20.009 18.029 1.980 1
1 385 . 11 1 1 A 37 37 ALA C C 37 178.883 179.798 -0.915 1
1 386 . 11 1 1 A 38 38 TRP N N 38 117.352 118.415 -1.063 1
1 387 . 11 1 1 A 38 38 TRP H H 38 7.937 8.243 -0.306 1
1 388 . 11 1 1 A 38 38 TRP CA C 38 60.600 60.161 0.439 1
1 389 . 11 1 1 A 38 38 TRP HA H 38 4.276 4.335 -0.059 1
1 390 . 11 1 1 A 38 38 TRP CB C 38 29.693 29.158 0.535 1
1 405 . 11 1 1 A 38 38 TRP C C 38 178.664 179.106 -0.442 1
1 406 . 11 1 1 A 39 39 LYS N N 39 117.638 118.317 -0.679 1
1 407 . 11 1 1 A 39 39 LYS H H 39 8.102 8.273 -0.171 1
1 408 . 11 1 1 A 39 39 LYS CA C 39 60.009 59.114 0.895 1
1 409 . 11 1 1 A 39 39 LYS HA H 39 4.031 4.090 -0.059 1
1 410 . 11 1 1 A 39 39 LYS CB C 39 32.471 32.316 0.155 1
1 421 . 11 1 1 A 39 39 LYS C C 39 178.713 178.772 -0.059 1
1 422 . 11 1 1 A 40 40 GLU N N 40 120.486 119.279 1.207 1
1 423 . 11 1 1 A 40 40 GLU H H 40 6.821 7.466 -0.645 1
1 424 . 11 1 1 A 40 40 GLU CA C 40 58.486 58.800 -0.314 1
1 425 . 11 1 1 A 40 40 GLU HA H 40 4.350 4.199 0.151 1
1 426 . 11 1 1 A 40 40 GLU CB C 40 28.459 29.344 -0.885 1
1 432 . 11 1 1 A 40 40 GLU C C 40 178.543 179.265 -0.722 1
1 433 . 11 1 1 A 41 41 LEU N N 41 119.356 120.169 -0.813 1
1 434 . 11 1 1 A 41 41 LEU H H 41 8.291 8.452 -0.161 1
1 435 . 11 1 1 A 41 41 LEU CA C 41 59.002 57.823 1.179 1
1 436 . 11 1 1 A 41 41 LEU HA H 41 3.947 4.160 -0.213 1
1 437 . 11 1 1 A 41 41 LEU CB C 41 41.914 41.443 0.471 1
1 450 . 11 1 1 A 41 41 LEU C C 41 178.106 179.355 -1.249 1
1 451 . 11 1 1 A 42 42 ASN N N 42 113.310 116.457 -3.147 1
1 452 . 11 1 1 A 42 42 ASN H H 42 8.350 8.390 -0.040 1
1 453 . 11 1 1 A 42 42 ASN CA C 42 55.623 56.218 -0.595 1
1 454 . 11 1 1 A 42 42 ASN HA H 42 4.420 4.602 -0.182 1
1 455 . 11 1 1 A 42 42 ASN CB C 42 39.318 38.208 1.110 1
1 461 . 11 1 1 A 42 42 ASN C C 42 176.820 176.805 0.015 1
1 462 . 11 1 1 A 43 43 ARG N N 43 117.734 117.985 -0.251 1
1 463 . 11 1 1 A 43 43 ARG H H 43 7.578 8.098 -0.520 1
1 464 . 11 1 1 A 43 43 ARG CA C 43 58.301 56.545 1.756 1
1 465 . 11 1 1 A 43 43 ARG HA H 43 4.227 4.307 -0.080 1
1 466 . 11 1 1 A 43 43 ARG CB C 43 31.361 30.834 0.527 1
1 475 . 11 1 1 A 43 43 ARG C C 43 178.106 177.362 0.744 1
1 476 . 11 1 1 A 44 44 LYS N N 44 115.502 117.183 -1.681 1
1 477 . 11 1 1 A 44 44 LYS H H 44 7.365 7.454 -0.089 1
1 478 . 11 1 1 A 44 44 LYS CA C 44 55.367 55.833 -0.466 1
1 479 . 11 1 1 A 44 44 LYS HA H 44 4.280 4.399 -0.119 1
1 480 . 11 1 1 A 44 44 LYS CB C 44 34.289 33.966 0.323 1
1 491 . 11 1 1 A 44 44 LYS C C 44 176.504 176.033 0.471 1
1 492 . 11 1 1 A 45 45 LEU N N 45 118.486 120.356 -1.870 1
1 493 . 11 1 1 A 45 45 LEU H H 45 7.977 7.694 0.283 1
1 494 . 11 1 1 A 45 45 LEU CA C 45 53.335 53.296 0.039 1
1 495 . 11 1 1 A 45 45 LEU HA H 45 4.882 4.923 -0.041 1
1 496 . 11 1 1 A 45 45 LEU CB C 45 45.307 44.675 0.632 1
1 509 . 11 1 1 A 45 45 LEU C C 45 176.771 176.406 0.365 1
1 510 . 11 1 1 A 46 46 SER N N 46 116.809 117.454 -0.645 1
1 511 . 11 1 1 A 46 46 SER H H 46 9.074 8.500 0.574 1
1 512 . 11 1 1 A 46 46 SER CA C 46 57.981 58.223 -0.242 1
1 513 . 11 1 1 A 46 46 SER HA H 46 4.407 4.541 -0.134 1
1 514 . 11 1 1 A 46 46 SER CB C 46 64.496 64.168 0.328 1
1 517 . 11 1 1 A 46 46 SER C C 46 175.387 175.722 -0.335 1
1 518 . 11 1 1 A 47 47 SER N N 47 117.511 119.845 -2.334 1
1 519 . 11 1 1 A 47 47 SER H H 47 8.955 9.027 -0.072 1
1 520 . 11 1 1 A 47 47 SER CA C 47 61.523 61.907 -0.384 1
1 521 . 11 1 1 A 47 47 SER HA H 47 4.197 4.146 0.051 1
1 522 . 11 1 1 A 47 47 SER CB C 47 62.412 63.060 -0.648 1
1 525 . 11 1 1 A 48 48 ASN H H 48 8.475 8.124 0.351 1
1 526 . 11 1 1 A 48 48 ASN CA C 48 56.327 55.901 0.426 1
1 527 . 11 1 1 A 48 48 ASN HA H 48 4.421 4.434 -0.013 1
1 528 . 11 1 1 A 48 48 ASN CB C 48 38.635 38.459 0.176 1
1 534 . 11 1 1 A 48 48 ASN C C 48 177.232 177.137 0.095 1
1 535 . 11 1 1 A 49 49 ALA N N 49 123.504 121.846 1.658 1
1 536 . 11 1 1 A 49 49 ALA H H 49 7.837 8.037 -0.200 1
1 537 . 11 1 1 A 49 49 ALA CA C 49 55.271 55.236 0.035 1
1 538 . 11 1 1 A 49 49 ALA HA H 49 4.171 4.140 0.031 1
1 539 . 11 1 1 A 49 49 ALA CB C 49 19.301 18.426 0.875 1
1 543 . 11 1 1 A 49 49 ALA C C 49 179.830 179.683 0.147 1
1 544 . 11 1 1 A 50 50 VAL N N 50 115.694 116.913 -1.219 1
1 545 . 11 1 1 A 50 50 VAL H H 50 8.069 8.339 -0.270 1
1 546 . 11 1 1 A 50 50 VAL CA C 50 65.728 64.292 1.436 1
1 547 . 11 1 1 A 50 50 VAL HA H 50 3.645 3.785 -0.140 1
1 548 . 11 1 1 A 50 50 VAL CB C 50 31.836 31.609 0.227 1
1 558 . 11 1 1 A 50 50 VAL C C 50 178.567 177.313 1.254 1
1 559 . 11 1 1 A 51 51 SER N N 51 114.048 116.977 -2.929 1
1 560 . 11 1 1 A 51 51 SER H H 51 7.849 8.057 -0.208 1
1 561 . 11 1 1 A 51 51 SER CA C 51 60.756 60.900 -0.144 1
1 562 . 11 1 1 A 51 51 SER HA H 51 4.334 4.295 0.039 1
1 563 . 11 1 1 A 51 51 SER CB C 51 63.383 62.967 0.416 1
1 565 . 11 1 1 A 51 51 SER C C 51 174.635 175.997 -1.362 1
1 566 . 11 1 1 A 52 52 GLN N N 52 118.482 117.373 1.109 1
1 567 . 11 1 1 A 52 52 GLN H H 52 7.564 7.933 -0.369 1
1 568 . 11 1 1 A 52 52 GLN CA C 52 55.306 57.111 -1.805 1
1 569 . 11 1 1 A 52 52 GLN HA H 52 4.389 4.467 -0.078 1
1 570 . 11 1 1 A 52 52 GLN CB C 52 29.217 29.209 0.008 1
1 579 . 11 1 1 A 52 52 GLN C C 52 175.315 176.624 -1.309 1
1 580 . 11 1 1 A 53 53 ILE N N 53 119.847 121.955 -2.108 1
1 581 . 11 1 1 A 53 53 ILE H H 53 7.281 7.401 -0.120 1
1 582 . 11 1 1 A 53 53 ILE CA C 53 62.903 62.256 0.647 1
1 583 . 11 1 1 A 53 53 ILE HA H 53 4.417 3.940 0.477 1
1 584 . 11 1 1 A 53 53 ILE CB C 53 38.124 37.248 0.876 1
1 597 . 11 1 1 A 53 53 ILE C C 53 176.383 175.965 0.418 1
1 598 . 11 1 1 A 54 54 THR N N 54 120.582 119.741 0.841 1
1 599 . 11 1 1 A 54 54 THR H H 54 9.046 8.586 0.460 1
1 600 . 11 1 1 A 54 54 THR CA C 54 59.846 59.773 0.073 1
1 601 . 11 1 1 A 54 54 THR HA H 54 4.834 4.925 -0.091 1
1 602 . 11 1 1 A 54 54 THR CB C 54 71.904 71.886 0.018 1
1 608 . 11 1 1 A 54 54 THR C C 54 172.135 173.156 -1.021 1
1 609 . 11 1 1 A 55 55 ARG N N 55 118.375 124.017 -5.642 1
1 610 . 11 1 1 A 55 55 ARG H H 55 8.511 8.797 -0.286 1
1 611 . 11 1 1 A 55 55 ARG CA C 55 57.312 56.760 0.552 1
1 612 . 11 1 1 A 55 55 ARG HA H 55 3.782 3.786 -0.004 1
1 613 . 11 1 1 A 55 55 ARG CB C 55 28.704 27.681 1.023 1
1 622 . 11 1 1 A 55 55 ARG C C 55 174.684 174.801 -0.117 1
1 623 . 11 1 1 A 56 56 MET N N 56 118.525 117.388 1.137 1
1 624 . 11 1 1 A 56 56 MET H H 56 8.279 7.923 0.356 1
1 625 . 11 1 1 A 56 56 MET CA C 56 55.799 55.985 -0.186 1
1 626 . 11 1 1 A 56 56 MET HA H 56 5.188 4.742 0.446 1
1 627 . 11 1 1 A 56 56 MET CB C 56 33.062 33.223 -0.161 1
1 637 . 11 1 1 A 56 56 MET C C 56 177.572 175.170 2.402 1
1 638 . 11 1 1 A 57 57 CYS N N 57 126.541 124.588 1.953 1
1 639 . 11 1 1 A 57 57 CYS H H 57 9.340 9.181 0.159 1
1 640 . 11 1 1 A 57 57 CYS CA C 57 57.171 57.561 -0.390 1
1 641 . 11 1 1 A 57 57 CYS HA H 57 4.794 5.215 -0.421 1
1 642 . 11 1 1 A 57 57 CYS CB C 57 31.161 31.685 -0.524 1
1 645 . 11 1 1 A 57 57 CYS C C 57 173.057 173.871 -0.814 1
1 646 . 11 1 1 A 58 58 LEU N N 58 123.786 123.226 0.560 1
1 647 . 11 1 1 A 58 58 LEU H H 58 8.682 8.460 0.222 1
1 648 . 11 1 1 A 58 58 LEU CA C 58 55.975 54.454 1.521 1
1 649 . 11 1 1 A 58 58 LEU HA H 58 4.520 4.527 -0.007 1
1 650 . 11 1 1 A 58 58 LEU CB C 58 43.097 41.955 1.142 1
1 663 . 11 1 1 A 58 58 LEU C C 58 177.960 177.178 0.782 1
1 664 . 11 1 1 A 59 59 LEU N N 59 124.007 125.660 -1.653 1
1 665 . 11 1 1 A 59 59 LEU H H 59 8.269 8.827 -0.558 1
1 666 . 11 1 1 A 59 59 LEU CA C 59 54.156 54.575 -0.419 1
1 667 . 11 1 1 A 59 59 LEU HA H 59 4.261 4.371 -0.110 1
1 668 . 11 1 1 A 59 59 LEU CB C 59 42.986 42.171 0.815 1
1 681 . 11 1 1 A 59 59 LEU C C 59 177.645 177.506 0.139 1
1 682 . 11 1 1 A 60 60 LYS N N 60 122.593 121.781 0.812 1
1 683 . 11 1 1 A 60 60 LYS H H 60 8.458 8.684 -0.226 1
1 684 . 11 1 1 A 60 60 LYS CA C 60 58.263 58.607 -0.344 1
1 685 . 11 1 1 A 60 60 LYS HA H 60 4.101 3.839 0.262 1
1 686 . 11 1 1 A 60 60 LYS CB C 60 31.732 32.415 -0.683 1
1 696 . 11 1 1 A 60 60 LYS C C 60 178.422 177.793 0.629 1
1 697 . 11 1 1 A 61 61 GLY H H 61 9.070 8.879 0.191 1
1 698 . 11 1 1 A 61 61 GLY CA C 61 45.355 45.781 -0.426 1
1 699 . 11 1 1 A 61 61 GLY HA2 H 61 3.641 3.936 -0.295 1
1 700 . 11 1 1 A 61 61 GLY HA3 H 61 4.223 3.941 0.282 1
1 701 . 11 1 1 A 61 61 GLY C C 61 173.907 174.226 -0.319 1
1 702 . 11 1 1 A 62 62 ASN N N 62 112.617 111.854 0.763 1
1 703 . 11 1 1 A 62 62 ASN H H 62 8.639 8.421 0.218 1
1 704 . 11 1 1 A 62 62 ASN CA C 62 55.115 54.517 0.598 1
1 705 . 11 1 1 A 62 62 ASN HA H 62 4.208 4.458 -0.250 1
1 706 . 11 1 1 A 62 62 ASN CB C 62 36.133 36.904 -0.771 1
1 712 . 11 1 1 A 62 62 ASN C C 62 173.810 175.330 -1.520 1
1 713 . 11 1 1 A 63 63 MET N N 63 114.254 116.361 -2.107 1
1 714 . 11 1 1 A 63 63 MET H H 63 7.967 7.759 0.208 1
1 715 . 11 1 1 A 63 63 MET CA C 63 53.229 55.928 -2.699 1
1 716 . 11 1 1 A 63 63 MET HA H 63 4.908 4.487 0.421 1
1 717 . 11 1 1 A 63 63 MET CB C 63 29.363 33.135 -3.772 1
1 727 . 11 1 1 A 63 63 MET C C 63 175.436 175.525 -0.089 1
1 728 . 11 1 1 A 64 64 GLY N N 64 102.826 106.955 -4.129 1
1 729 . 11 1 1 A 64 64 GLY H H 64 7.039 7.435 -0.396 1
1 730 . 11 1 1 A 64 64 GLY CA C 64 45.381 45.915 -0.534 1
1 731 . 11 1 1 A 64 64 GLY HA2 H 64 4.902 4.077 0.825 1
1 732 . 11 1 1 A 64 64 GLY HA3 H 64 4.026 4.095 -0.069 1
1 733 . 11 1 1 A 64 64 GLY C C 64 171.868 171.397 0.471 1
1 734 . 11 1 1 A 65 65 VAL N N 65 110.602 115.527 -4.925 1
1 735 . 11 1 1 A 65 65 VAL H H 65 8.994 8.744 0.250 1
1 736 . 11 1 1 A 65 65 VAL CA C 65 58.892 59.248 -0.356 1
1 737 . 11 1 1 A 65 65 VAL HA H 65 5.511 5.059 0.452 1
1 738 . 11 1 1 A 65 65 VAL CB C 65 36.392 35.851 0.541 1
1 748 . 11 1 1 A 65 65 VAL C C 65 174.319 174.255 0.064 1
1 749 . 11 1 1 A 66 66 CYS N N 66 115.721 119.883 -4.162 1
1 750 . 11 1 1 A 66 66 CYS H H 66 9.175 8.777 0.398 1
1 751 . 11 1 1 A 66 66 CYS CA C 66 54.912 57.534 -2.622 1
1 752 . 11 1 1 A 66 66 CYS HA H 66 5.590 5.459 0.131 1
1 753 . 11 1 1 A 66 66 CYS CB C 66 31.672 31.015 0.657 1
1 756 . 11 1 1 A 66 66 CYS C C 66 171.941 173.500 -1.559 1
1 757 . 11 1 1 A 67 67 PHE N N 67 114.941 118.919 -3.978 1
1 758 . 11 1 1 A 67 67 PHE H H 67 8.220 8.409 -0.189 1
1 759 . 11 1 1 A 67 67 PHE CA C 67 56.468 55.684 0.784 1
1 760 . 11 1 1 A 67 67 PHE HA H 67 4.879 5.271 -0.392 1
1 761 . 11 1 1 A 67 67 PHE CB C 67 39.366 41.567 -2.201 1
1 774 . 11 1 1 A 67 67 PHE C C 67 171.552 172.052 -0.500 1
1 775 . 11 1 1 A 68 68 ASP N N 68 119.507 119.473 0.034 1
1 776 . 11 1 1 A 68 68 ASP H H 68 9.072 8.921 0.151 1
1 777 . 11 1 1 A 68 68 ASP CA C 68 52.737 52.977 -0.240 1
1 778 . 11 1 1 A 68 68 ASP HA H 68 5.901 5.749 0.152 1
1 779 . 11 1 1 A 68 68 ASP CB C 68 42.545 44.293 -1.748 1
1 782 . 11 1 1 A 68 68 ASP C C 68 176.116 175.109 1.007 1
1 783 . 11 1 1 A 69 69 VAL N N 69 114.937 117.153 -2.216 1
1 784 . 11 1 1 A 69 69 VAL H H 69 8.819 9.000 -0.181 1
1 785 . 11 1 1 A 69 69 VAL CA C 69 58.051 58.134 -0.083 1
1 786 . 11 1 1 A 69 69 VAL HA H 69 5.205 4.971 0.234 1
1 787 . 11 1 1 A 69 69 VAL CB C 69 35.698 34.983 0.715 1
1 797 . 11 1 1 A 69 69 VAL C C 69 173.154 173.021 0.133 1
1 798 . 11 1 1 A 70 70 PRO CA C 70 62.946 62.172 0.774 1
1 799 . 11 1 1 A 70 70 PRO HA H 70 4.479 3.313 1.166 1
1 800 . 11 1 1 A 70 70 PRO CB C 70 32.255 32.222 0.033 1
1 809 . 11 1 1 A 70 70 PRO C C 70 178.737 177.404 1.333 1
1 810 . 11 1 1 A 71 71 THR N N 71 119.743 116.778 2.965 1
1 811 . 11 1 1 A 71 71 THR H H 71 8.401 7.787 0.614 1
1 812 . 11 1 1 A 71 71 THR CA C 71 66.415 64.894 1.521 1
1 813 . 11 1 1 A 71 71 THR HA H 71 3.761 4.018 -0.257 1
1 814 . 11 1 1 A 71 71 THR CB C 71 68.476 68.541 -0.065 1
1 820 . 11 1 1 A 71 71 THR C C 71 176.965 175.782 1.183 1
1 821 . 11 1 1 A 72 72 THR N N 72 109.724 115.867 -6.143 1
1 822 . 11 1 1 A 72 72 THR H H 72 7.747 7.761 -0.014 1
1 823 . 11 1 1 A 72 72 THR CA C 72 64.100 65.388 -1.288 1
1 824 . 11 1 1 A 72 72 THR HA H 72 4.120 4.119 0.001 1
1 825 . 11 1 1 A 72 72 THR CB C 72 68.471 68.600 -0.129 1
1 831 . 11 1 1 A 72 72 THR C C 72 175.849 174.776 1.073 1
1 832 . 11 1 1 A 73 73 GLU N N 73 118.626 120.951 -2.325 1
1 833 . 11 1 1 A 73 73 GLU H H 73 7.767 8.014 -0.247 1
1 834 . 11 1 1 A 73 73 GLU CA C 73 55.623 56.530 -0.907 1
1 835 . 11 1 1 A 73 73 GLU HA H 73 4.587 4.647 -0.060 1
1 836 . 11 1 1 A 73 73 GLU CB C 73 30.542 31.321 -0.779 1
1 842 . 11 1 1 A 73 73 GLU C C 73 177.257 177.829 -0.572 1
1 843 . 11 1 1 A 74 74 SER N N 74 114.932 115.115 -0.183 1
1 844 . 11 1 1 A 74 74 SER H H 74 7.442 8.067 -0.625 1
1 845 . 11 1 1 A 74 74 SER CA C 74 62.099 61.230 0.869 1
1 846 . 11 1 1 A 74 74 SER HA H 74 3.938 4.216 -0.278 1
1 847 . 11 1 1 A 74 74 SER CB C 74 63.067 62.771 0.296 1
1 850 . 11 1 1 A 74 74 SER C C 74 176.528 177.388 -0.860 1
1 851 . 11 1 1 A 75 75 GLU N N 75 120.907 123.709 -2.802 1
1 852 . 11 1 1 A 75 75 GLU H H 75 8.350 7.426 0.924 1
1 853 . 11 1 1 A 75 75 GLU CA C 75 59.706 59.242 0.464 1
1 854 . 11 1 1 A 75 75 GLU HA H 75 4.045 4.184 -0.139 1
1 855 . 11 1 1 A 75 75 GLU CB C 75 29.085 29.777 -0.692 1
1 861 . 11 1 1 A 75 75 GLU C C 75 179.320 178.898 0.422 1
1 862 . 11 1 1 A 76 76 ARG N N 76 121.343 120.023 1.320 1
1 863 . 11 1 1 A 76 76 ARG H H 76 7.948 8.007 -0.059 1
1 864 . 11 1 1 A 76 76 ARG CA C 76 59.188 58.884 0.304 1
1 865 . 11 1 1 A 76 76 ARG HA H 76 4.094 4.063 0.031 1
1 866 . 11 1 1 A 76 76 ARG CB C 76 29.726 29.962 -0.236 1
1 875 . 11 1 1 A 76 76 ARG C C 76 178.373 178.768 -0.395 1
1 876 . 11 1 1 A 77 77 LEU N N 77 120.110 120.319 -0.209 1
1 877 . 11 1 1 A 77 77 LEU H H 77 8.029 8.401 -0.372 1
1 878 . 11 1 1 A 77 77 LEU CA C 77 59.809 58.110 1.699 1
1 879 . 11 1 1 A 77 77 LEU HA H 77 3.975 4.029 -0.054 1
1 880 . 11 1 1 A 77 77 LEU CB C 77 42.216 41.495 0.721 1
1 893 . 11 1 1 A 77 77 LEU C C 77 178.810 179.257 -0.447 1
1 894 . 11 1 1 A 78 78 GLN N N 78 114.090 116.373 -2.283 1
1 895 . 11 1 1 A 78 78 GLN H H 78 7.680 7.437 0.243 1
1 896 . 11 1 1 A 78 78 GLN CA C 78 59.600 58.012 1.588 1
1 897 . 11 1 1 A 78 78 GLN HA H 78 3.915 4.380 -0.465 1
1 898 . 11 1 1 A 78 78 GLN CB C 78 30.101 28.579 1.522 1
1 907 . 11 1 1 A 78 78 GLN C C 78 178.325 176.949 1.376 1
1 908 . 11 1 1 A 79 79 ALA N N 79 119.863 121.705 -1.842 1
1 909 . 11 1 1 A 79 79 ALA H H 79 7.900 7.818 0.082 1
1 910 . 11 1 1 A 79 79 ALA CA C 79 54.321 53.714 0.607 1
1 911 . 11 1 1 A 79 79 ALA HA H 79 4.255 4.380 -0.125 1
1 912 . 11 1 1 A 79 79 ALA CB C 79 18.596 19.264 -0.668 1
1 916 . 11 1 1 A 79 79 ALA C C 79 179.514 178.954 0.560 1
1 917 . 11 1 1 A 80 80 GLU N N 80 115.847 115.661 0.186 1
1 918 . 11 1 1 A 80 80 GLU H H 80 7.773 8.000 -0.227 1
1 919 . 11 1 1 A 80 80 GLU CA C 80 57.312 58.158 -0.846 1
1 920 . 11 1 1 A 80 80 GLU HA H 80 4.286 4.370 -0.084 1
1 921 . 11 1 1 A 80 80 GLU CB C 80 31.095 30.213 0.882 1
1 927 . 11 1 1 A 80 80 GLU C C 80 176.965 177.200 -0.235 1
1 928 . 11 1 1 A 81 81 TRP N N 81 122.132 122.802 -0.670 1
1 929 . 11 1 1 A 81 81 TRP H H 81 7.661 7.799 -0.138 1
1 930 . 11 1 1 A 81 81 TRP CA C 81 58.641 56.037 2.604 1
1 931 . 11 1 1 A 81 81 TRP HA H 81 4.261 4.794 -0.533 1
1 932 . 11 1 1 A 81 81 TRP CB C 81 29.118 29.457 -0.339 1
1 947 . 11 1 1 A 81 81 TRP C C 81 174.611 175.601 -0.990 1
1 948 . 11 1 1 A 82 82 HIS CA C 82 54.101 55.334 -1.233 1
1 949 . 11 1 1 A 82 82 HIS HA H 82 4.727 4.625 0.102 1
1 950 . 11 1 1 A 82 82 HIS CB C 82 30.847 32.607 -1.760 1
1 957 . 11 1 1 A 83 83 ASP CA C 83 54.997 55.174 -0.177 1
1 958 . 11 1 1 A 83 83 ASP HA H 83 4.342 3.747 0.595 1
1 959 . 11 1 1 A 83 83 ASP CB C 83 40.395 39.304 1.091 1
1 962 . 11 1 1 A 83 83 ASP C C 83 174.198 174.975 -0.777 1
1 963 . 11 1 1 A 84 84 SER N N 84 111.986 113.966 -1.980 1
1 964 . 11 1 1 A 84 84 SER H H 84 7.863 7.440 0.423 1
1 965 . 11 1 1 A 84 84 SER CA C 84 56.714 56.166 0.548 1
1 966 . 11 1 1 A 84 84 SER HA H 84 4.584 4.625 -0.041 1
1 967 . 11 1 1 A 84 84 SER CB C 84 64.374 64.714 -0.340 1
1 970 . 11 1 1 A 84 84 SER C C 84 174.489 173.551 0.938 1
1 971 . 11 1 1 A 85 85 ASP N N 85 125.547 121.381 4.166 1
1 972 . 11 1 1 A 85 85 ASP H H 85 9.268 8.279 0.989 1
1 973 . 11 1 1 A 85 85 ASP CA C 85 55.447 54.245 1.202 1
1 974 . 11 1 1 A 85 85 ASP HA H 85 4.704 4.993 -0.289 1
1 975 . 11 1 1 A 85 85 ASP CB C 85 40.980 42.969 -1.989 1
1 978 . 11 1 1 A 85 85 ASP C C 85 177.038 174.921 2.117 1
1 979 . 11 1 1 A 86 86 TRP N N 86 121.831 119.628 2.203 1
1 980 . 11 1 1 A 86 86 TRP H H 86 9.345 7.828 1.517 1
1 981 . 11 1 1 A 86 86 TRP CA C 86 56.967 55.804 1.163 1
1 982 . 11 1 1 A 86 86 TRP HA H 86 5.091 5.457 -0.366 1
1 983 . 11 1 1 A 86 86 TRP CB C 86 29.118 32.464 -3.346 1
1 998 . 11 1 1 A 86 86 TRP C C 86 176.723 176.291 0.432 1
1 999 . 11 1 1 A 87 87 ILE N N 87 123.116 124.938 -1.822 1
1 1000 . 11 1 1 A 87 87 ILE H H 87 8.965 8.532 0.433 1
1 1001 . 11 1 1 A 87 87 ILE CA C 87 60.595 62.201 -1.606 1
1 1002 . 11 1 1 A 87 87 ILE HA H 87 4.462 4.513 -0.051 1
1 1003 . 11 1 1 A 87 87 ILE CB C 87 40.354 37.782 2.572 1
1 1016 . 11 1 1 A 87 87 ILE C C 87 175.824 175.343 0.481 1
1 1017 . 11 1 1 A 88 88 LEU N N 88 134.475 130.047 4.428 1
1 1018 . 11 1 1 A 88 88 LEU H H 88 8.736 9.045 -0.309 1
1 1019 . 11 1 1 A 88 88 LEU CA C 88 53.763 53.663 0.100 1
1 1020 . 11 1 1 A 88 88 LEU HA H 88 5.163 4.998 0.165 1
1 1021 . 11 1 1 A 88 88 LEU CB C 88 43.020 43.920 -0.900 1
1 1034 . 11 1 1 A 88 88 LEU C C 88 175.824 174.999 0.825 1
1 1035 . 11 1 1 A 89 89 SER N N 89 122.016 124.355 -2.339 1
1 1036 . 11 1 1 A 89 89 SER H H 89 9.152 8.856 0.296 1
1 1037 . 11 1 1 A 89 89 SER CA C 89 57.242 57.476 -0.234 1
1 1038 . 11 1 1 A 89 89 SER HA H 89 4.739 5.344 -0.605 1
1 1039 . 11 1 1 A 89 89 SER CB C 89 65.526 66.482 -0.956 1
1 1042 . 11 1 1 A 89 89 SER C C 89 171.989 172.423 -0.434 1
1 1043 . 11 1 1 A 90 90 VAL N N 90 119.844 121.349 -1.505 1
1 1044 . 11 1 1 A 90 90 VAL H H 90 8.220 8.820 -0.600 1
1 1045 . 11 1 1 A 90 90 VAL CA C 90 59.143 58.830 0.313 1
1 1046 . 11 1 1 A 90 90 VAL HA H 90 4.604 4.614 -0.010 1
1 1047 . 11 1 1 A 90 90 VAL CB C 90 33.056 33.178 -0.122 1
1 1057 . 11 1 1 A 90 90 VAL C C 90 174.198 174.497 -0.299 1
1 1058 . 11 1 1 A 91 91 PRO CA C 91 63.467 62.501 0.966 1
1 1059 . 11 1 1 A 91 91 PRO HA H 91 4.329 4.590 -0.261 1
1 1060 . 11 1 1 A 91 91 PRO CB C 91 32.003 32.675 -0.672 1
1 1069 . 11 1 1 A 91 91 PRO C C 91 175.557 176.990 -1.433 1
1 1 . 12 1 1 A 6 6 SER CA C 6 58.720 57.074 1.646 1
1 2 . 12 1 1 A 6 6 SER HA H 6 4.456 4.795 -0.339 1
1 3 . 12 1 1 A 6 6 SER CB C 6 63.880 66.005 -2.125 1
1 6 . 12 1 1 A 6 6 SER C C 6 174.951 173.828 1.123 1
1 7 . 12 1 1 A 7 7 GLY N N 7 110.558 110.879 -0.321 1
1 8 . 12 1 1 A 7 7 GLY H H 7 8.377 8.640 -0.263 1
1 9 . 12 1 1 A 7 7 GLY CA C 7 45.205 47.075 -1.870 1
1 10 . 12 1 1 A 7 7 GLY HA2 H 7 3.879 3.903 -0.024 1
1 11 . 12 1 1 A 7 7 GLY HA3 H 7 3.910 3.917 -0.007 1
1 12 . 12 1 1 A 7 7 GLY C C 7 173.615 174.295 -0.680 1
1 13 . 12 1 1 A 8 8 PHE N N 8 119.857 120.570 -0.713 1
1 14 . 12 1 1 A 8 8 PHE H H 8 8.062 8.069 -0.007 1
1 15 . 12 1 1 A 8 8 PHE CA C 8 57.418 56.007 1.411 1
1 16 . 12 1 1 A 8 8 PHE HA H 8 4.624 5.085 -0.461 1
1 17 . 12 1 1 A 8 8 PHE CB C 8 39.749 40.931 -1.182 1
1 30 . 12 1 1 A 8 8 PHE C C 8 175.242 174.402 0.840 1
1 31 . 12 1 1 A 9 9 GLU N N 9 124.807 126.418 -1.611 1
1 32 . 12 1 1 A 9 9 GLU H H 9 8.311 8.367 -0.056 1
1 33 . 12 1 1 A 9 9 GLU CA C 9 54.034 53.247 0.787 1
1 34 . 12 1 1 A 9 9 GLU HA H 9 4.546 4.752 -0.206 1
1 35 . 12 1 1 A 9 9 GLU CB C 9 29.859 32.257 -2.398 1
1 40 . 12 1 1 A 9 9 GLU C C 9 174.125 174.143 -0.018 1
1 41 . 12 1 1 A 10 10 PRO CA C 10 63.366 62.371 0.995 1
1 42 . 12 1 1 A 10 10 PRO HA H 10 4.334 4.606 -0.272 1
1 43 . 12 1 1 A 10 10 PRO CB C 10 32.033 33.355 -1.322 1
1 52 . 12 1 1 A 10 10 PRO C C 10 177.062 175.861 1.201 1
1 53 . 12 1 1 A 11 11 ARG N N 11 120.726 120.820 -0.094 1
1 54 . 12 1 1 A 11 11 ARG H H 11 8.477 8.656 -0.179 1
1 55 . 12 1 1 A 11 11 ARG CA C 11 56.175 55.442 0.733 1
1 56 . 12 1 1 A 11 11 ARG HA H 11 4.318 4.580 -0.262 1
1 57 . 12 1 1 A 11 11 ARG CB C 11 30.831 31.556 -0.725 1
1 66 . 12 1 1 A 11 11 ARG C C 11 176.455 174.292 2.163 1
1 67 . 12 1 1 A 12 12 SER N N 12 116.599 121.344 -4.745 1
1 68 . 12 1 1 A 12 12 SER H H 12 8.289 8.893 -0.604 1
1 69 . 12 1 1 A 12 12 SER CA C 12 58.330 57.843 0.487 1
1 70 . 12 1 1 A 12 12 SER HA H 12 4.396 5.028 -0.632 1
1 71 . 12 1 1 A 12 12 SER CB C 12 63.633 64.642 -1.009 1
1 74 . 12 1 1 A 12 12 SER C C 12 174.465 173.806 0.659 1
1 75 . 12 1 1 A 13 13 LEU N N 13 124.186 127.279 -3.093 1
1 76 . 12 1 1 A 13 13 LEU H H 13 8.275 8.697 -0.422 1
1 77 . 12 1 1 A 13 13 LEU CA C 13 55.306 56.567 -1.261 1
1 78 . 12 1 1 A 13 13 LEU HA H 13 4.361 4.304 0.057 1
1 79 . 12 1 1 A 13 13 LEU CB C 13 42.350 42.679 -0.329 1
1 92 . 12 1 1 A 13 13 LEU C C 13 177.184 177.346 -0.162 1
1 93 . 12 1 1 A 14 14 ILE N N 14 121.445 116.470 4.975 1
1 94 . 12 1 1 A 14 14 ILE H H 14 8.106 7.670 0.436 1
1 95 . 12 1 1 A 14 14 ILE CA C 14 61.248 59.474 1.774 1
1 96 . 12 1 1 A 14 14 ILE HA H 14 4.202 4.861 -0.659 1
1 97 . 12 1 1 A 14 14 ILE CB C 14 38.555 41.739 -3.184 1
1 110 . 12 1 1 A 14 14 ILE C C 14 176.528 174.807 1.721 1
1 111 . 12 1 1 A 15 15 THR N N 15 118.053 119.036 -0.983 1
1 112 . 12 1 1 A 15 15 THR H H 15 8.226 8.639 -0.413 1
1 113 . 12 1 1 A 15 15 THR CA C 15 61.573 60.992 0.581 1
1 114 . 12 1 1 A 15 15 THR HA H 15 4.401 4.926 -0.525 1
1 115 . 12 1 1 A 15 15 THR CB C 15 69.795 69.944 -0.149 1
1 121 . 12 1 1 A 15 15 THR C C 15 174.538 172.604 1.934 1
1 122 . 12 1 1 A 16 16 SER N N 16 117.877 118.797 -0.920 1
1 123 . 12 1 1 A 16 16 SER H H 16 8.272 8.819 -0.547 1
1 124 . 12 1 1 A 16 16 SER CA C 16 55.830 58.667 -2.837 1
1 125 . 12 1 1 A 16 16 SER HA H 16 4.448 4.511 -0.063 1
1 126 . 12 1 1 A 16 16 SER CB C 16 63.880 65.758 -1.878 1
1 129 . 12 1 1 A 16 16 SER C C 16 174.247 172.768 1.479 1
1 130 . 12 1 1 A 17 17 ASP N N 17 122.892 117.222 5.670 1
1 131 . 12 1 1 A 17 17 ASP H H 17 8.425 7.753 0.672 1
1 132 . 12 1 1 A 17 17 ASP CA C 17 54.461 53.291 1.170 1
1 133 . 12 1 1 A 17 17 ASP HA H 17 4.611 5.081 -0.470 1
1 134 . 12 1 1 A 17 17 ASP CB C 17 41.340 43.948 -2.608 1
1 137 . 12 1 1 A 17 17 ASP C C 17 176.358 175.435 0.923 1
1 138 . 12 1 1 A 18 18 LYS N N 18 121.459 124.731 -3.272 1
1 139 . 12 1 1 A 18 18 LYS H H 18 8.349 8.632 -0.283 1
1 140 . 12 1 1 A 18 18 LYS CA C 18 56.526 55.633 0.893 1
1 141 . 12 1 1 A 18 18 LYS HA H 18 4.356 4.569 -0.213 1
1 142 . 12 1 1 A 18 18 LYS CB C 18 32.744 34.576 -1.832 1
1 152 . 12 1 1 A 18 18 LYS C C 18 177.305 176.451 0.854 1
1 153 . 12 1 1 A 19 19 GLY N N 19 109.072 108.443 0.629 1
1 154 . 12 1 1 A 19 19 GLY H H 19 8.533 8.033 0.500 1
1 155 . 12 1 1 A 19 19 GLY CA C 19 45.451 47.450 -1.999 1
1 156 . 12 1 1 A 19 19 GLY HA2 H 19 3.884 3.990 -0.106 1
1 157 . 12 1 1 A 19 19 GLY HA3 H 19 3.960 4.025 -0.065 1
1 158 . 12 1 1 A 19 19 GLY C C 19 174.028 173.616 0.412 1
1 159 . 12 1 1 A 20 20 PHE N N 20 119.395 121.689 -2.294 1
1 160 . 12 1 1 A 20 20 PHE H H 20 8.014 8.540 -0.526 1
1 161 . 12 1 1 A 20 20 PHE CA C 20 56.992 56.548 0.444 1
1 162 . 12 1 1 A 20 20 PHE HA H 20 5.166 5.381 -0.215 1
1 163 . 12 1 1 A 20 20 PHE CB C 20 43.122 43.349 -0.227 1
1 176 . 12 1 1 A 20 20 PHE C C 20 174.247 174.032 0.215 1
1 177 . 12 1 1 A 21 21 VAL N N 21 119.613 117.462 2.151 1
1 178 . 12 1 1 A 21 21 VAL H H 21 9.282 9.094 0.188 1
1 179 . 12 1 1 A 21 21 VAL CA C 21 60.286 60.218 0.068 1
1 180 . 12 1 1 A 21 21 VAL HA H 21 4.403 4.841 -0.438 1
1 181 . 12 1 1 A 21 21 VAL CB C 21 35.624 35.837 -0.213 1
1 191 . 12 1 1 A 21 21 VAL C C 21 174.077 173.892 0.185 1
1 192 . 12 1 1 A 22 22 THR N N 22 123.150 122.648 0.502 1
1 193 . 12 1 1 A 22 22 THR H H 22 8.226 8.851 -0.625 1
1 194 . 12 1 1 A 22 22 THR CA C 22 61.672 62.113 -0.441 1
1 195 . 12 1 1 A 22 22 THR HA H 22 5.214 5.036 0.178 1
1 196 . 12 1 1 A 22 22 THR CB C 22 69.636 70.284 -0.648 1
1 202 . 12 1 1 A 22 22 THR C C 22 174.319 173.965 0.354 1
1 203 . 12 1 1 A 23 23 MET N N 23 125.701 123.581 2.120 1
1 204 . 12 1 1 A 23 23 MET H H 23 9.254 9.214 0.040 1
1 205 . 12 1 1 A 23 23 MET CA C 23 54.250 53.913 0.337 1
1 206 . 12 1 1 A 23 23 MET HA H 23 4.680 5.200 -0.520 1
1 207 . 12 1 1 A 23 23 MET CB C 23 34.967 36.056 -1.089 1
1 217 . 12 1 1 A 23 23 MET C C 23 174.028 174.470 -0.442 1
1 218 . 12 1 1 A 24 24 THR N N 24 109.251 114.996 -5.745 1
1 219 . 12 1 1 A 24 24 THR H H 24 8.410 8.646 -0.236 1
1 220 . 12 1 1 A 24 24 THR CA C 24 59.952 60.955 -1.003 1
1 221 . 12 1 1 A 24 24 THR HA H 24 4.838 5.061 -0.223 1
1 222 . 12 1 1 A 24 24 THR CB C 24 71.427 72.389 -0.962 1
1 228 . 12 1 1 A 24 24 THR C C 24 172.353 173.093 -0.740 1
1 229 . 12 1 1 A 25 25 LEU N N 25 125.384 125.264 0.120 1
1 230 . 12 1 1 A 25 25 LEU H H 25 8.901 8.678 0.223 1
1 231 . 12 1 1 A 25 25 LEU CA C 25 53.373 54.275 -0.902 1
1 232 . 12 1 1 A 25 25 LEU HA H 25 5.333 5.029 0.304 1
1 233 . 12 1 1 A 25 25 LEU CB C 25 45.607 45.581 0.026 1
1 246 . 12 1 1 A 25 25 LEU C C 25 175.606 174.679 0.927 1
1 247 . 12 1 1 A 26 26 GLU N N 26 125.482 126.900 -1.418 1
1 248 . 12 1 1 A 26 26 GLU H H 26 9.147 9.067 0.080 1
1 249 . 12 1 1 A 26 26 GLU CA C 26 56.010 55.209 0.801 1
1 250 . 12 1 1 A 26 26 GLU HA H 26 4.922 4.780 0.142 1
1 251 . 12 1 1 A 26 26 GLU CB C 26 33.588 31.460 2.128 1
1 257 . 12 1 1 A 26 26 GLU C C 26 175.387 176.052 -0.665 1
1 258 . 12 1 1 A 27 27 SER N N 27 118.827 120.677 -1.850 1
1 259 . 12 1 1 A 27 27 SER H H 27 8.432 8.991 -0.559 1
1 260 . 12 1 1 A 27 27 SER CA C 27 55.236 57.620 -2.384 1
1 261 . 12 1 1 A 27 27 SER HA H 27 3.720 3.850 -0.130 1
1 262 . 12 1 1 A 27 27 SER CB C 27 63.703 63.960 -0.257 1
1 265 . 12 1 1 A 27 27 SER C C 27 173.980 174.242 -0.262 1
1 266 . 12 1 1 A 28 28 LEU N N 28 121.319 123.958 -2.639 1
1 267 . 12 1 1 A 28 28 LEU H H 28 7.990 8.420 -0.430 1
1 268 . 12 1 1 A 28 28 LEU CA C 28 55.887 55.897 -0.010 1
1 269 . 12 1 1 A 28 28 LEU HA H 28 4.071 4.213 -0.142 1
1 270 . 12 1 1 A 28 28 LEU CB C 28 42.184 42.532 -0.348 1
1 283 . 12 1 1 A 28 28 LEU C C 28 177.159 176.767 0.392 1
1 284 . 12 1 1 A 29 29 GLU N N 29 115.740 116.972 -1.232 1
1 285 . 12 1 1 A 29 29 GLU H H 29 7.458 7.505 -0.047 1
1 286 . 12 1 1 A 29 29 GLU CA C 29 53.658 54.441 -0.783 1
1 287 . 12 1 1 A 29 29 GLU HA H 29 4.444 4.684 -0.240 1
1 288 . 12 1 1 A 29 29 GLU CB C 29 33.209 34.369 -1.160 1
1 294 . 12 1 1 A 29 29 GLU C C 29 174.417 174.732 -0.315 1
1 295 . 12 1 1 A 30 30 GLU N N 30 122.052 120.882 1.170 1
1 296 . 12 1 1 A 30 30 GLU H H 30 8.500 8.486 0.014 1
1 297 . 12 1 1 A 30 30 GLU CA C 30 57.621 56.750 0.871 1
1 298 . 12 1 1 A 30 30 GLU HA H 30 4.297 4.406 -0.109 1
1 299 . 12 1 1 A 30 30 GLU CB C 30 30.403 30.633 -0.230 1
1 305 . 12 1 1 A 30 30 GLU C C 30 177.087 176.207 0.880 1
1 306 . 12 1 1 A 31 31 ILE N N 31 120.377 120.879 -0.502 1
1 307 . 12 1 1 A 31 31 ILE H H 31 8.828 8.579 0.249 1
1 308 . 12 1 1 A 31 31 ILE CA C 31 59.741 58.401 1.340 1
1 309 . 12 1 1 A 31 31 ILE HA H 31 4.680 4.771 -0.091 1
1 310 . 12 1 1 A 31 31 ILE CB C 31 40.845 40.773 0.072 1
1 323 . 12 1 1 A 31 31 ILE C C 31 175.776 176.748 -0.972 1
1 324 . 12 1 1 A 32 32 GLN N N 32 119.444 121.105 -1.661 1
1 325 . 12 1 1 A 32 32 GLN H H 32 8.668 8.442 0.226 1
1 326 . 12 1 1 A 32 32 GLN CA C 32 57.277 58.255 -0.978 1
1 327 . 12 1 1 A 32 32 GLN HA H 32 4.302 4.234 0.068 1
1 328 . 12 1 1 A 32 32 GLN CB C 32 30.079 30.012 0.067 1
1 337 . 12 1 1 A 32 32 GLN C C 32 175.824 175.355 0.469 1
1 338 . 12 1 1 A 33 33 ASP N N 33 113.908 115.569 -1.661 1
1 339 . 12 1 1 A 33 33 ASP H H 33 7.684 7.822 -0.138 1
1 340 . 12 1 1 A 33 33 ASP CA C 33 53.441 53.499 -0.058 1
1 341 . 12 1 1 A 33 33 ASP HA H 33 4.754 4.853 -0.099 1
1 342 . 12 1 1 A 33 33 ASP CB C 33 43.727 43.506 0.221 1
1 345 . 12 1 1 A 33 33 ASP C C 33 175.824 175.480 0.344 1
1 346 . 12 1 1 A 34 34 VAL N N 34 114.196 122.133 -7.937 1
1 347 . 12 1 1 A 34 34 VAL H H 34 8.640 8.800 -0.160 1
1 348 . 12 1 1 A 34 34 VAL CA C 34 64.836 65.076 -0.240 1
1 349 . 12 1 1 A 34 34 VAL HA H 34 3.910 3.920 -0.010 1
1 350 . 12 1 1 A 34 34 VAL CB C 34 31.539 31.596 -0.057 1
1 360 . 12 1 1 A 34 34 VAL C C 34 177.669 177.870 -0.201 1
1 361 . 12 1 1 A 35 35 SER N N 35 120.001 116.737 3.264 1
1 362 . 12 1 1 A 35 35 SER H H 35 9.274 8.453 0.821 1
1 363 . 12 1 1 A 35 35 SER CA C 35 62.276 61.670 0.606 1
1 364 . 12 1 1 A 35 35 SER HA H 35 4.448 4.226 0.222 1
1 365 . 12 1 1 A 35 35 SER CB C 35 62.255 63.138 -0.883 1
1 368 . 12 1 1 A 35 35 SER C C 35 177.305 177.199 0.106 1
1 369 . 12 1 1 A 36 36 CYS N N 36 120.840 119.820 1.020 1
1 370 . 12 1 1 A 36 36 CYS H H 36 7.894 8.090 -0.196 1
1 371 . 12 1 1 A 36 36 CYS CA C 36 62.416 62.783 -0.367 1
1 372 . 12 1 1 A 36 36 CYS HA H 36 4.310 4.242 0.068 1
1 373 . 12 1 1 A 36 36 CYS CB C 36 28.189 27.261 0.928 1
1 376 . 12 1 1 A 36 36 CYS C C 36 177.257 177.284 -0.027 1
1 377 . 12 1 1 A 37 37 ALA N N 37 122.247 121.851 0.396 1
1 378 . 12 1 1 A 37 37 ALA H H 37 7.343 8.004 -0.661 1
1 379 . 12 1 1 A 37 37 ALA CA C 37 54.145 55.375 -1.230 1
1 380 . 12 1 1 A 37 37 ALA HA H 37 3.546 3.696 -0.150 1
1 381 . 12 1 1 A 37 37 ALA CB C 37 20.009 18.234 1.775 1
1 385 . 12 1 1 A 37 37 ALA C C 37 178.883 179.953 -1.070 1
1 386 . 12 1 1 A 38 38 TRP N N 38 117.352 118.646 -1.294 1
1 387 . 12 1 1 A 38 38 TRP H H 38 7.937 8.456 -0.519 1
1 388 . 12 1 1 A 38 38 TRP CA C 38 60.600 59.827 0.773 1
1 389 . 12 1 1 A 38 38 TRP HA H 38 4.276 4.439 -0.163 1
1 390 . 12 1 1 A 38 38 TRP CB C 38 29.693 28.968 0.725 1
1 405 . 12 1 1 A 38 38 TRP C C 38 178.664 179.146 -0.482 1
1 406 . 12 1 1 A 39 39 LYS N N 39 117.638 118.690 -1.052 1
1 407 . 12 1 1 A 39 39 LYS H H 39 8.102 8.316 -0.214 1
1 408 . 12 1 1 A 39 39 LYS CA C 39 60.009 58.893 1.116 1
1 409 . 12 1 1 A 39 39 LYS HA H 39 4.031 4.175 -0.144 1
1 410 . 12 1 1 A 39 39 LYS CB C 39 32.471 32.452 0.019 1
1 421 . 12 1 1 A 39 39 LYS C C 39 178.713 178.973 -0.260 1
1 422 . 12 1 1 A 40 40 GLU N N 40 120.486 119.770 0.716 1
1 423 . 12 1 1 A 40 40 GLU H H 40 6.821 7.459 -0.638 1
1 424 . 12 1 1 A 40 40 GLU CA C 40 58.486 58.624 -0.138 1
1 425 . 12 1 1 A 40 40 GLU HA H 40 4.350 4.084 0.266 1
1 426 . 12 1 1 A 40 40 GLU CB C 40 28.459 29.488 -1.029 1
1 432 . 12 1 1 A 40 40 GLU C C 40 178.543 178.976 -0.433 1
1 433 . 12 1 1 A 41 41 LEU N N 41 119.356 120.346 -0.990 1
1 434 . 12 1 1 A 41 41 LEU H H 41 8.291 8.636 -0.345 1
1 435 . 12 1 1 A 41 41 LEU CA C 41 59.002 58.100 0.902 1
1 436 . 12 1 1 A 41 41 LEU HA H 41 3.947 4.119 -0.172 1
1 437 . 12 1 1 A 41 41 LEU CB C 41 41.914 41.307 0.607 1
1 450 . 12 1 1 A 41 41 LEU C C 41 178.106 179.338 -1.232 1
1 451 . 12 1 1 A 42 42 ASN N N 42 113.310 117.099 -3.789 1
1 452 . 12 1 1 A 42 42 ASN H H 42 8.350 8.080 0.270 1
1 453 . 12 1 1 A 42 42 ASN CA C 42 55.623 56.275 -0.652 1
1 454 . 12 1 1 A 42 42 ASN HA H 42 4.420 4.565 -0.145 1
1 455 . 12 1 1 A 42 42 ASN CB C 42 39.318 38.238 1.080 1
1 461 . 12 1 1 A 42 42 ASN C C 42 176.820 176.925 -0.105 1
1 462 . 12 1 1 A 43 43 ARG N N 43 117.734 118.032 -0.298 1
1 463 . 12 1 1 A 43 43 ARG H H 43 7.578 7.819 -0.241 1
1 464 . 12 1 1 A 43 43 ARG CA C 43 58.301 57.160 1.141 1
1 465 . 12 1 1 A 43 43 ARG HA H 43 4.227 4.382 -0.155 1
1 466 . 12 1 1 A 43 43 ARG CB C 43 31.361 30.831 0.530 1
1 475 . 12 1 1 A 43 43 ARG C C 43 178.106 177.687 0.419 1
1 476 . 12 1 1 A 44 44 LYS N N 44 115.502 116.659 -1.157 1
1 477 . 12 1 1 A 44 44 LYS H H 44 7.365 7.478 -0.113 1
1 478 . 12 1 1 A 44 44 LYS CA C 44 55.367 56.554 -1.187 1
1 479 . 12 1 1 A 44 44 LYS HA H 44 4.280 4.229 0.051 1
1 480 . 12 1 1 A 44 44 LYS CB C 44 34.289 32.799 1.490 1
1 491 . 12 1 1 A 44 44 LYS C C 44 176.504 175.939 0.565 1
1 492 . 12 1 1 A 45 45 LEU N N 45 118.486 119.710 -1.224 1
1 493 . 12 1 1 A 45 45 LEU H H 45 7.977 7.139 0.838 1
1 494 . 12 1 1 A 45 45 LEU CA C 45 53.335 53.230 0.105 1
1 495 . 12 1 1 A 45 45 LEU HA H 45 4.882 4.835 0.047 1
1 496 . 12 1 1 A 45 45 LEU CB C 45 45.307 46.566 -1.259 1
1 509 . 12 1 1 A 45 45 LEU C C 45 176.771 175.942 0.829 1
1 510 . 12 1 1 A 46 46 SER N N 46 116.809 117.782 -0.973 1
1 511 . 12 1 1 A 46 46 SER H H 46 9.074 8.831 0.243 1
1 512 . 12 1 1 A 46 46 SER CA C 46 57.981 58.064 -0.083 1
1 513 . 12 1 1 A 46 46 SER HA H 46 4.407 4.563 -0.156 1
1 514 . 12 1 1 A 46 46 SER CB C 46 64.496 64.002 0.494 1
1 517 . 12 1 1 A 46 46 SER C C 46 175.387 175.788 -0.401 1
1 518 . 12 1 1 A 47 47 SER N N 47 117.511 119.720 -2.209 1
1 519 . 12 1 1 A 47 47 SER H H 47 8.955 9.017 -0.062 1
1 520 . 12 1 1 A 47 47 SER CA C 47 61.523 61.920 -0.397 1
1 521 . 12 1 1 A 47 47 SER HA H 47 4.197 4.135 0.062 1
1 522 . 12 1 1 A 47 47 SER CB C 47 62.412 62.973 -0.561 1
1 525 . 12 1 1 A 48 48 ASN H H 48 8.475 8.162 0.313 1
1 526 . 12 1 1 A 48 48 ASN CA C 48 56.327 55.952 0.375 1
1 527 . 12 1 1 A 48 48 ASN HA H 48 4.421 4.482 -0.061 1
1 528 . 12 1 1 A 48 48 ASN CB C 48 38.635 38.415 0.220 1
1 534 . 12 1 1 A 48 48 ASN C C 48 177.232 177.698 -0.466 1
1 535 . 12 1 1 A 49 49 ALA N N 49 123.504 122.218 1.286 1
1 536 . 12 1 1 A 49 49 ALA H H 49 7.837 8.138 -0.301 1
1 537 . 12 1 1 A 49 49 ALA CA C 49 55.271 55.353 -0.082 1
1 538 . 12 1 1 A 49 49 ALA HA H 49 4.171 4.064 0.107 1
1 539 . 12 1 1 A 49 49 ALA CB C 49 19.301 18.205 1.096 1
1 543 . 12 1 1 A 49 49 ALA C C 49 179.830 179.667 0.163 1
1 544 . 12 1 1 A 50 50 VAL N N 50 115.694 116.324 -0.630 1
1 545 . 12 1 1 A 50 50 VAL H H 50 8.069 8.292 -0.223 1
1 546 . 12 1 1 A 50 50 VAL CA C 50 65.728 64.552 1.176 1
1 547 . 12 1 1 A 50 50 VAL HA H 50 3.645 3.788 -0.143 1
1 548 . 12 1 1 A 50 50 VAL CB C 50 31.836 31.614 0.222 1
1 558 . 12 1 1 A 50 50 VAL C C 50 178.567 177.441 1.126 1
1 559 . 12 1 1 A 51 51 SER N N 51 114.048 117.399 -3.351 1
1 560 . 12 1 1 A 51 51 SER H H 51 7.849 8.136 -0.287 1
1 561 . 12 1 1 A 51 51 SER CA C 51 60.756 60.693 0.063 1
1 562 . 12 1 1 A 51 51 SER HA H 51 4.334 4.470 -0.136 1
1 563 . 12 1 1 A 51 51 SER CB C 51 63.383 63.202 0.181 1
1 565 . 12 1 1 A 51 51 SER C C 51 174.635 175.961 -1.326 1
1 566 . 12 1 1 A 52 52 GLN N N 52 118.482 118.344 0.138 1
1 567 . 12 1 1 A 52 52 GLN H H 52 7.564 7.778 -0.214 1
1 568 . 12 1 1 A 52 52 GLN CA C 52 55.306 57.460 -2.154 1
1 569 . 12 1 1 A 52 52 GLN HA H 52 4.389 4.373 0.016 1
1 570 . 12 1 1 A 52 52 GLN CB C 52 29.217 29.426 -0.209 1
1 579 . 12 1 1 A 52 52 GLN C C 52 175.315 177.048 -1.733 1
1 580 . 12 1 1 A 53 53 ILE N N 53 119.847 121.835 -1.988 1
1 581 . 12 1 1 A 53 53 ILE H H 53 7.281 7.484 -0.203 1
1 582 . 12 1 1 A 53 53 ILE CA C 53 62.903 62.363 0.540 1
1 583 . 12 1 1 A 53 53 ILE HA H 53 4.417 4.019 0.398 1
1 584 . 12 1 1 A 53 53 ILE CB C 53 38.124 38.129 -0.005 1
1 597 . 12 1 1 A 53 53 ILE C C 53 176.383 176.103 0.280 1
1 598 . 12 1 1 A 54 54 THR N N 54 120.582 118.023 2.559 1
1 599 . 12 1 1 A 54 54 THR H H 54 9.046 8.757 0.289 1
1 600 . 12 1 1 A 54 54 THR CA C 54 59.846 59.682 0.164 1
1 601 . 12 1 1 A 54 54 THR HA H 54 4.834 4.885 -0.051 1
1 602 . 12 1 1 A 54 54 THR CB C 54 71.904 71.713 0.191 1
1 608 . 12 1 1 A 54 54 THR C C 54 172.135 173.043 -0.908 1
1 609 . 12 1 1 A 55 55 ARG N N 55 118.375 123.496 -5.121 1
1 610 . 12 1 1 A 55 55 ARG H H 55 8.511 8.787 -0.276 1
1 611 . 12 1 1 A 55 55 ARG CA C 55 57.312 56.875 0.437 1
1 612 . 12 1 1 A 55 55 ARG HA H 55 3.782 3.769 0.013 1
1 613 . 12 1 1 A 55 55 ARG CB C 55 28.704 27.885 0.819 1
1 622 . 12 1 1 A 55 55 ARG C C 55 174.684 174.834 -0.150 1
1 623 . 12 1 1 A 56 56 MET N N 56 118.525 116.782 1.743 1
1 624 . 12 1 1 A 56 56 MET H H 56 8.279 7.933 0.346 1
1 625 . 12 1 1 A 56 56 MET CA C 56 55.799 55.833 -0.034 1
1 626 . 12 1 1 A 56 56 MET HA H 56 5.188 4.948 0.240 1
1 627 . 12 1 1 A 56 56 MET CB C 56 33.062 33.371 -0.309 1
1 637 . 12 1 1 A 56 56 MET C C 56 177.572 175.078 2.494 1
1 638 . 12 1 1 A 57 57 CYS N N 57 126.541 124.169 2.372 1
1 639 . 12 1 1 A 57 57 CYS H H 57 9.340 8.958 0.382 1
1 640 . 12 1 1 A 57 57 CYS CA C 57 57.171 57.699 -0.528 1
1 641 . 12 1 1 A 57 57 CYS HA H 57 4.794 5.153 -0.359 1
1 642 . 12 1 1 A 57 57 CYS CB C 57 31.161 32.684 -1.523 1
1 645 . 12 1 1 A 57 57 CYS C C 57 173.057 173.601 -0.544 1
1 646 . 12 1 1 A 58 58 LEU N N 58 123.786 123.281 0.505 1
1 647 . 12 1 1 A 58 58 LEU H H 58 8.682 8.472 0.210 1
1 648 . 12 1 1 A 58 58 LEU CA C 58 55.975 54.484 1.491 1
1 649 . 12 1 1 A 58 58 LEU HA H 58 4.520 4.459 0.061 1
1 650 . 12 1 1 A 58 58 LEU CB C 58 43.097 42.267 0.830 1
1 663 . 12 1 1 A 58 58 LEU C C 58 177.960 177.301 0.659 1
1 664 . 12 1 1 A 59 59 LEU N N 59 124.007 125.114 -1.107 1
1 665 . 12 1 1 A 59 59 LEU H H 59 8.269 8.754 -0.485 1
1 666 . 12 1 1 A 59 59 LEU CA C 59 54.156 54.500 -0.344 1
1 667 . 12 1 1 A 59 59 LEU HA H 59 4.261 4.388 -0.127 1
1 668 . 12 1 1 A 59 59 LEU CB C 59 42.986 42.319 0.667 1
1 681 . 12 1 1 A 59 59 LEU C C 59 177.645 176.122 1.523 1
1 682 . 12 1 1 A 60 60 LYS N N 60 122.593 122.594 -0.001 1
1 683 . 12 1 1 A 60 60 LYS H H 60 8.458 8.629 -0.171 1
1 684 . 12 1 1 A 60 60 LYS CA C 60 58.263 58.171 0.092 1
1 685 . 12 1 1 A 60 60 LYS HA H 60 4.101 3.878 0.223 1
1 686 . 12 1 1 A 60 60 LYS CB C 60 31.732 31.959 -0.227 1
1 696 . 12 1 1 A 60 60 LYS C C 60 178.422 177.454 0.968 1
1 697 . 12 1 1 A 61 61 GLY H H 61 9.070 8.807 0.263 1
1 698 . 12 1 1 A 61 61 GLY CA C 61 45.355 45.365 -0.010 1
1 699 . 12 1 1 A 61 61 GLY HA2 H 61 3.641 3.975 -0.334 1
1 700 . 12 1 1 A 61 61 GLY HA3 H 61 4.223 3.979 0.244 1
1 701 . 12 1 1 A 61 61 GLY C C 61 173.907 174.712 -0.805 1
1 702 . 12 1 1 A 62 62 ASN N N 62 112.617 112.000 0.617 1
1 703 . 12 1 1 A 62 62 ASN H H 62 8.639 8.447 0.192 1
1 704 . 12 1 1 A 62 62 ASN CA C 62 55.115 54.755 0.360 1
1 705 . 12 1 1 A 62 62 ASN HA H 62 4.208 4.479 -0.271 1
1 706 . 12 1 1 A 62 62 ASN CB C 62 36.133 37.260 -1.127 1
1 712 . 12 1 1 A 62 62 ASN C C 62 173.810 175.201 -1.391 1
1 713 . 12 1 1 A 63 63 MET N N 63 114.254 117.357 -3.103 1
1 714 . 12 1 1 A 63 63 MET H H 63 7.967 8.241 -0.274 1
1 715 . 12 1 1 A 63 63 MET CA C 63 53.229 55.919 -2.690 1
1 716 . 12 1 1 A 63 63 MET HA H 63 4.908 4.438 0.470 1
1 717 . 12 1 1 A 63 63 MET CB C 63 29.363 32.806 -3.443 1
1 727 . 12 1 1 A 63 63 MET C C 63 175.436 175.845 -0.409 1
1 728 . 12 1 1 A 64 64 GLY N N 64 102.826 107.227 -4.401 1
1 729 . 12 1 1 A 64 64 GLY H H 64 7.039 7.501 -0.462 1
1 730 . 12 1 1 A 64 64 GLY CA C 64 45.381 45.767 -0.386 1
1 731 . 12 1 1 A 64 64 GLY HA2 H 64 4.902 4.096 0.806 1
1 732 . 12 1 1 A 64 64 GLY HA3 H 64 4.026 4.167 -0.141 1
1 733 . 12 1 1 A 64 64 GLY C C 64 171.868 171.264 0.604 1
1 734 . 12 1 1 A 65 65 VAL N N 65 110.602 115.738 -5.136 1
1 735 . 12 1 1 A 65 65 VAL H H 65 8.994 8.630 0.364 1
1 736 . 12 1 1 A 65 65 VAL CA C 65 58.892 59.015 -0.123 1
1 737 . 12 1 1 A 65 65 VAL HA H 65 5.511 5.103 0.408 1
1 738 . 12 1 1 A 65 65 VAL CB C 65 36.392 36.233 0.159 1
1 748 . 12 1 1 A 65 65 VAL C C 65 174.319 174.277 0.042 1
1 749 . 12 1 1 A 66 66 CYS N N 66 115.721 119.979 -4.258 1
1 750 . 12 1 1 A 66 66 CYS H H 66 9.175 8.765 0.410 1
1 751 . 12 1 1 A 66 66 CYS CA C 66 54.912 56.367 -1.455 1
1 752 . 12 1 1 A 66 66 CYS HA H 66 5.590 5.236 0.354 1
1 753 . 12 1 1 A 66 66 CYS CB C 66 31.672 32.069 -0.397 1
1 756 . 12 1 1 A 66 66 CYS C C 66 171.941 173.230 -1.289 1
1 757 . 12 1 1 A 67 67 PHE N N 67 114.941 117.439 -2.498 1
1 758 . 12 1 1 A 67 67 PHE H H 67 8.220 8.528 -0.308 1
1 759 . 12 1 1 A 67 67 PHE CA C 67 56.468 56.205 0.263 1
1 760 . 12 1 1 A 67 67 PHE HA H 67 4.879 5.227 -0.348 1
1 761 . 12 1 1 A 67 67 PHE CB C 67 39.366 40.760 -1.394 1
1 774 . 12 1 1 A 67 67 PHE C C 67 171.552 171.853 -0.301 1
1 775 . 12 1 1 A 68 68 ASP N N 68 119.507 119.677 -0.170 1
1 776 . 12 1 1 A 68 68 ASP H H 68 9.072 9.209 -0.137 1
1 777 . 12 1 1 A 68 68 ASP CA C 68 52.737 52.743 -0.006 1
1 778 . 12 1 1 A 68 68 ASP HA H 68 5.901 5.867 0.034 1
1 779 . 12 1 1 A 68 68 ASP CB C 68 42.545 43.831 -1.286 1
1 782 . 12 1 1 A 68 68 ASP C C 68 176.116 175.954 0.162 1
1 783 . 12 1 1 A 69 69 VAL N N 69 114.937 117.022 -2.085 1
1 784 . 12 1 1 A 69 69 VAL H H 69 8.819 9.065 -0.246 1
1 785 . 12 1 1 A 69 69 VAL CA C 69 58.051 58.138 -0.087 1
1 786 . 12 1 1 A 69 69 VAL HA H 69 5.205 4.966 0.239 1
1 787 . 12 1 1 A 69 69 VAL CB C 69 35.698 34.934 0.764 1
1 797 . 12 1 1 A 69 69 VAL C C 69 173.154 173.078 0.076 1
1 798 . 12 1 1 A 70 70 PRO CA C 70 62.946 61.824 1.122 1
1 799 . 12 1 1 A 70 70 PRO HA H 70 4.479 3.521 0.958 1
1 800 . 12 1 1 A 70 70 PRO CB C 70 32.255 32.458 -0.203 1
1 809 . 12 1 1 A 70 70 PRO C C 70 178.737 177.232 1.505 1
1 810 . 12 1 1 A 71 71 THR N N 71 119.743 116.679 3.064 1
1 811 . 12 1 1 A 71 71 THR H H 71 8.401 7.923 0.478 1
1 812 . 12 1 1 A 71 71 THR CA C 71 66.415 65.134 1.281 1
1 813 . 12 1 1 A 71 71 THR HA H 71 3.761 4.028 -0.267 1
1 814 . 12 1 1 A 71 71 THR CB C 71 68.476 68.258 0.218 1
1 820 . 12 1 1 A 71 71 THR C C 71 176.965 176.101 0.864 1
1 821 . 12 1 1 A 72 72 THR N N 72 109.724 116.588 -6.864 1
1 822 . 12 1 1 A 72 72 THR H H 72 7.747 7.910 -0.163 1
1 823 . 12 1 1 A 72 72 THR CA C 72 64.100 66.913 -2.813 1
1 824 . 12 1 1 A 72 72 THR HA H 72 4.120 3.833 0.287 1
1 825 . 12 1 1 A 72 72 THR CB C 72 68.471 68.497 -0.026 1
1 831 . 12 1 1 A 72 72 THR C C 72 175.849 176.246 -0.397 1
1 832 . 12 1 1 A 73 73 GLU N N 73 118.626 121.731 -3.105 1
1 833 . 12 1 1 A 73 73 GLU H H 73 7.767 7.962 -0.195 1
1 834 . 12 1 1 A 73 73 GLU CA C 73 55.623 58.736 -3.113 1
1 835 . 12 1 1 A 73 73 GLU HA H 73 4.587 4.129 0.458 1
1 836 . 12 1 1 A 73 73 GLU CB C 73 30.542 29.372 1.170 1
1 842 . 12 1 1 A 73 73 GLU C C 73 177.257 179.092 -1.835 1
1 843 . 12 1 1 A 74 74 SER N N 74 114.932 115.468 -0.536 1
1 844 . 12 1 1 A 74 74 SER H H 74 7.442 8.248 -0.806 1
1 845 . 12 1 1 A 74 74 SER CA C 74 62.099 60.599 1.500 1
1 846 . 12 1 1 A 74 74 SER HA H 74 3.938 4.167 -0.229 1
1 847 . 12 1 1 A 74 74 SER CB C 74 63.067 62.795 0.272 1
1 850 . 12 1 1 A 74 74 SER C C 74 176.528 177.055 -0.527 1
1 851 . 12 1 1 A 75 75 GLU N N 75 120.907 122.200 -1.293 1
1 852 . 12 1 1 A 75 75 GLU H H 75 8.350 7.810 0.540 1
1 853 . 12 1 1 A 75 75 GLU CA C 75 59.706 59.316 0.390 1
1 854 . 12 1 1 A 75 75 GLU HA H 75 4.045 4.297 -0.252 1
1 855 . 12 1 1 A 75 75 GLU CB C 75 29.085 29.234 -0.149 1
1 861 . 12 1 1 A 75 75 GLU C C 75 179.320 179.813 -0.493 1
1 862 . 12 1 1 A 76 76 ARG N N 76 121.343 120.819 0.524 1
1 863 . 12 1 1 A 76 76 ARG H H 76 7.948 7.974 -0.026 1
1 864 . 12 1 1 A 76 76 ARG CA C 76 59.188 58.360 0.828 1
1 865 . 12 1 1 A 76 76 ARG HA H 76 4.094 4.221 -0.127 1
1 866 . 12 1 1 A 76 76 ARG CB C 76 29.726 29.856 -0.130 1
1 875 . 12 1 1 A 76 76 ARG C C 76 178.373 178.787 -0.414 1
1 876 . 12 1 1 A 77 77 LEU N N 77 120.110 120.483 -0.373 1
1 877 . 12 1 1 A 77 77 LEU H H 77 8.029 8.456 -0.427 1
1 878 . 12 1 1 A 77 77 LEU CA C 77 59.809 58.127 1.682 1
1 879 . 12 1 1 A 77 77 LEU HA H 77 3.975 4.072 -0.097 1
1 880 . 12 1 1 A 77 77 LEU CB C 77 42.216 41.411 0.805 1
1 893 . 12 1 1 A 77 77 LEU C C 77 178.810 179.385 -0.575 1
1 894 . 12 1 1 A 78 78 GLN N N 78 114.090 118.188 -4.098 1
1 895 . 12 1 1 A 78 78 GLN H H 78 7.680 7.938 -0.258 1
1 896 . 12 1 1 A 78 78 GLN CA C 78 59.600 58.910 0.690 1
1 897 . 12 1 1 A 78 78 GLN HA H 78 3.915 4.069 -0.154 1
1 898 . 12 1 1 A 78 78 GLN CB C 78 30.101 28.348 1.753 1
1 907 . 12 1 1 A 78 78 GLN C C 78 178.325 177.825 0.500 1
1 908 . 12 1 1 A 79 79 ALA N N 79 119.863 121.495 -1.632 1
1 909 . 12 1 1 A 79 79 ALA H H 79 7.900 7.527 0.373 1
1 910 . 12 1 1 A 79 79 ALA CA C 79 54.321 53.693 0.628 1
1 911 . 12 1 1 A 79 79 ALA HA H 79 4.255 4.245 0.010 1
1 912 . 12 1 1 A 79 79 ALA CB C 79 18.596 18.673 -0.077 1
1 916 . 12 1 1 A 79 79 ALA C C 79 179.514 178.295 1.219 1
1 917 . 12 1 1 A 80 80 GLU N N 80 115.847 115.546 0.301 1
1 918 . 12 1 1 A 80 80 GLU H H 80 7.773 7.782 -0.009 1
1 919 . 12 1 1 A 80 80 GLU CA C 80 57.312 57.526 -0.214 1
1 920 . 12 1 1 A 80 80 GLU HA H 80 4.286 4.402 -0.116 1
1 921 . 12 1 1 A 80 80 GLU CB C 80 31.095 30.489 0.606 1
1 927 . 12 1 1 A 80 80 GLU C C 80 176.965 176.768 0.197 1
1 928 . 12 1 1 A 81 81 TRP N N 81 122.132 123.298 -1.166 1
1 929 . 12 1 1 A 81 81 TRP H H 81 7.661 7.757 -0.096 1
1 930 . 12 1 1 A 81 81 TRP CA C 81 58.641 58.297 0.344 1
1 931 . 12 1 1 A 81 81 TRP HA H 81 4.261 4.691 -0.430 1
1 932 . 12 1 1 A 81 81 TRP CB C 81 29.118 29.743 -0.625 1
1 947 . 12 1 1 A 81 81 TRP C C 81 174.611 175.700 -1.089 1
1 948 . 12 1 1 A 82 82 HIS CA C 82 54.101 55.922 -1.821 1
1 949 . 12 1 1 A 82 82 HIS HA H 82 4.727 4.625 0.102 1
1 950 . 12 1 1 A 82 82 HIS CB C 82 30.847 32.541 -1.694 1
1 957 . 12 1 1 A 83 83 ASP CA C 83 54.997 54.994 0.003 1
1 958 . 12 1 1 A 83 83 ASP HA H 83 4.342 3.953 0.389 1
1 959 . 12 1 1 A 83 83 ASP CB C 83 40.395 39.628 0.767 1
1 962 . 12 1 1 A 83 83 ASP C C 83 174.198 174.375 -0.177 1
1 963 . 12 1 1 A 84 84 SER N N 84 111.986 110.404 1.582 1
1 964 . 12 1 1 A 84 84 SER H H 84 7.863 7.413 0.450 1
1 965 . 12 1 1 A 84 84 SER CA C 84 56.714 56.200 0.514 1
1 966 . 12 1 1 A 84 84 SER HA H 84 4.584 4.806 -0.222 1
1 967 . 12 1 1 A 84 84 SER CB C 84 64.374 65.480 -1.106 1
1 970 . 12 1 1 A 84 84 SER C C 84 174.489 174.209 0.280 1
1 971 . 12 1 1 A 85 85 ASP N N 85 125.547 124.631 0.916 1
1 972 . 12 1 1 A 85 85 ASP H H 85 9.268 8.764 0.504 1
1 973 . 12 1 1 A 85 85 ASP CA C 85 55.447 56.358 -0.911 1
1 974 . 12 1 1 A 85 85 ASP HA H 85 4.704 4.513 0.191 1
1 975 . 12 1 1 A 85 85 ASP CB C 85 40.980 40.604 0.376 1
1 978 . 12 1 1 A 85 85 ASP C C 85 177.038 176.867 0.171 1
1 979 . 12 1 1 A 86 86 TRP N N 86 121.831 120.193 1.638 1
1 980 . 12 1 1 A 86 86 TRP H H 86 9.345 8.083 1.262 1
1 981 . 12 1 1 A 86 86 TRP CA C 86 56.967 57.830 -0.863 1
1 982 . 12 1 1 A 86 86 TRP HA H 86 5.091 4.904 0.187 1
1 983 . 12 1 1 A 86 86 TRP CB C 86 29.118 29.416 -0.298 1
1 998 . 12 1 1 A 86 86 TRP C C 86 176.723 175.887 0.836 1
1 999 . 12 1 1 A 87 87 ILE N N 87 123.116 125.412 -2.296 1
1 1000 . 12 1 1 A 87 87 ILE H H 87 8.965 8.391 0.574 1
1 1001 . 12 1 1 A 87 87 ILE CA C 87 60.595 62.371 -1.776 1
1 1002 . 12 1 1 A 87 87 ILE HA H 87 4.462 4.344 0.118 1
1 1003 . 12 1 1 A 87 87 ILE CB C 87 40.354 37.765 2.589 1
1 1016 . 12 1 1 A 87 87 ILE C C 87 175.824 175.162 0.662 1
1 1017 . 12 1 1 A 88 88 LEU N N 88 134.475 130.657 3.818 1
1 1018 . 12 1 1 A 88 88 LEU H H 88 8.736 9.006 -0.270 1
1 1019 . 12 1 1 A 88 88 LEU CA C 88 53.763 53.511 0.252 1
1 1020 . 12 1 1 A 88 88 LEU HA H 88 5.163 4.873 0.290 1
1 1021 . 12 1 1 A 88 88 LEU CB C 88 43.020 43.663 -0.643 1
1 1034 . 12 1 1 A 88 88 LEU C C 88 175.824 175.583 0.241 1
1 1035 . 12 1 1 A 89 89 SER N N 89 122.016 119.314 2.702 1
1 1036 . 12 1 1 A 89 89 SER H H 89 9.152 8.734 0.418 1
1 1037 . 12 1 1 A 89 89 SER CA C 89 57.242 56.364 0.878 1
1 1038 . 12 1 1 A 89 89 SER HA H 89 4.739 5.106 -0.367 1
1 1039 . 12 1 1 A 89 89 SER CB C 89 65.526 66.591 -1.065 1
1 1042 . 12 1 1 A 89 89 SER C C 89 171.989 172.603 -0.614 1
1 1043 . 12 1 1 A 90 90 VAL N N 90 119.844 121.191 -1.347 1
1 1044 . 12 1 1 A 90 90 VAL H H 90 8.220 8.760 -0.540 1
1 1045 . 12 1 1 A 90 90 VAL CA C 90 59.143 59.017 0.126 1
1 1046 . 12 1 1 A 90 90 VAL HA H 90 4.604 4.613 -0.009 1
1 1047 . 12 1 1 A 90 90 VAL CB C 90 33.056 33.116 -0.060 1
1 1057 . 12 1 1 A 90 90 VAL C C 90 174.198 173.850 0.348 1
1 1058 . 12 1 1 A 91 91 PRO CA C 91 63.467 62.743 0.724 1
1 1059 . 12 1 1 A 91 91 PRO HA H 91 4.329 4.611 -0.282 1
1 1060 . 12 1 1 A 91 91 PRO CB C 91 32.003 32.674 -0.671 1
1 1069 . 12 1 1 A 91 91 PRO C C 91 175.557 175.816 -0.259 1
1 1 . 13 1 1 A 6 6 SER CA C 6 58.720 57.536 1.184 1
1 2 . 13 1 1 A 6 6 SER HA H 6 4.456 4.547 -0.091 1
1 3 . 13 1 1 A 6 6 SER CB C 6 63.880 64.653 -0.773 1
1 6 . 13 1 1 A 6 6 SER C C 6 174.951 175.112 -0.161 1
1 7 . 13 1 1 A 7 7 GLY N N 7 110.558 108.430 2.128 1
1 8 . 13 1 1 A 7 7 GLY H H 7 8.377 8.644 -0.267 1
1 9 . 13 1 1 A 7 7 GLY CA C 7 45.205 44.034 1.171 1
1 10 . 13 1 1 A 7 7 GLY HA2 H 7 3.879 4.219 -0.340 1
1 11 . 13 1 1 A 7 7 GLY HA3 H 7 3.910 4.274 -0.364 1
1 12 . 13 1 1 A 7 7 GLY C C 7 173.615 174.403 -0.788 1
1 13 . 13 1 1 A 8 8 PHE N N 8 119.857 117.208 2.649 1
1 14 . 13 1 1 A 8 8 PHE H H 8 8.062 8.638 -0.576 1
1 15 . 13 1 1 A 8 8 PHE CA C 8 57.418 58.326 -0.908 1
1 16 . 13 1 1 A 8 8 PHE HA H 8 4.624 4.103 0.521 1
1 17 . 13 1 1 A 8 8 PHE CB C 8 39.749 37.007 2.742 1
1 30 . 13 1 1 A 8 8 PHE C C 8 175.242 175.124 0.118 1
1 31 . 13 1 1 A 9 9 GLU N N 9 124.807 119.515 5.292 1
1 32 . 13 1 1 A 9 9 GLU H H 9 8.311 8.326 -0.015 1
1 33 . 13 1 1 A 9 9 GLU CA C 9 54.034 54.756 -0.722 1
1 34 . 13 1 1 A 9 9 GLU HA H 9 4.546 4.618 -0.072 1
1 35 . 13 1 1 A 9 9 GLU CB C 9 29.859 28.785 1.074 1
1 40 . 13 1 1 A 9 9 GLU C C 9 174.125 175.826 -1.701 1
1 41 . 13 1 1 A 10 10 PRO CA C 10 63.366 62.596 0.770 1
1 42 . 13 1 1 A 10 10 PRO HA H 10 4.334 4.713 -0.379 1
1 43 . 13 1 1 A 10 10 PRO CB C 10 32.033 29.336 2.697 1
1 52 . 13 1 1 A 10 10 PRO C C 10 177.062 175.632 1.430 1
1 53 . 13 1 1 A 11 11 ARG N N 11 120.726 123.554 -2.828 1
1 54 . 13 1 1 A 11 11 ARG H H 11 8.477 8.143 0.334 1
1 55 . 13 1 1 A 11 11 ARG CA C 11 56.175 56.814 -0.639 1
1 56 . 13 1 1 A 11 11 ARG HA H 11 4.318 4.178 0.140 1
1 57 . 13 1 1 A 11 11 ARG CB C 11 30.831 30.655 0.176 1
1 66 . 13 1 1 A 11 11 ARG C C 11 176.455 175.739 0.716 1
1 67 . 13 1 1 A 12 12 SER N N 12 116.599 121.591 -4.992 1
1 68 . 13 1 1 A 12 12 SER H H 12 8.289 8.607 -0.318 1
1 69 . 13 1 1 A 12 12 SER CA C 12 58.330 57.965 0.365 1
1 70 . 13 1 1 A 12 12 SER HA H 12 4.396 4.817 -0.421 1
1 71 . 13 1 1 A 12 12 SER CB C 12 63.633 64.074 -0.441 1
1 74 . 13 1 1 A 12 12 SER C C 12 174.465 174.000 0.465 1
1 75 . 13 1 1 A 13 13 LEU N N 13 124.186 126.414 -2.228 1
1 76 . 13 1 1 A 13 13 LEU H H 13 8.275 8.512 -0.237 1
1 77 . 13 1 1 A 13 13 LEU CA C 13 55.306 53.691 1.615 1
1 78 . 13 1 1 A 13 13 LEU HA H 13 4.361 4.315 0.046 1
1 79 . 13 1 1 A 13 13 LEU CB C 13 42.350 43.864 -1.514 1
1 92 . 13 1 1 A 13 13 LEU C C 13 177.184 175.307 1.877 1
1 93 . 13 1 1 A 14 14 ILE N N 14 121.445 118.598 2.847 1
1 94 . 13 1 1 A 14 14 ILE H H 14 8.106 8.640 -0.534 1
1 95 . 13 1 1 A 14 14 ILE CA C 14 61.248 58.741 2.507 1
1 96 . 13 1 1 A 14 14 ILE HA H 14 4.202 4.911 -0.709 1
1 97 . 13 1 1 A 14 14 ILE CB C 14 38.555 42.270 -3.715 1
1 110 . 13 1 1 A 14 14 ILE C C 14 176.528 174.850 1.678 1
1 111 . 13 1 1 A 15 15 THR N N 15 118.053 115.768 2.285 1
1 112 . 13 1 1 A 15 15 THR H H 15 8.226 8.494 -0.268 1
1 113 . 13 1 1 A 15 15 THR CA C 15 61.573 61.962 -0.389 1
1 114 . 13 1 1 A 15 15 THR HA H 15 4.401 4.630 -0.229 1
1 115 . 13 1 1 A 15 15 THR CB C 15 69.795 70.146 -0.351 1
1 121 . 13 1 1 A 15 15 THR C C 15 174.538 174.312 0.226 1
1 122 . 13 1 1 A 16 16 SER N N 16 117.877 115.543 2.334 1
1 123 . 13 1 1 A 16 16 SER H H 16 8.272 8.830 -0.558 1
1 124 . 13 1 1 A 16 16 SER CA C 16 55.830 57.562 -1.732 1
1 125 . 13 1 1 A 16 16 SER HA H 16 4.448 4.934 -0.486 1
1 126 . 13 1 1 A 16 16 SER CB C 16 63.880 66.008 -2.128 1
1 129 . 13 1 1 A 16 16 SER C C 16 174.247 171.945 2.302 1
1 130 . 13 1 1 A 17 17 ASP N N 17 122.892 123.235 -0.343 1
1 131 . 13 1 1 A 17 17 ASP H H 17 8.425 8.793 -0.368 1
1 132 . 13 1 1 A 17 17 ASP CA C 17 54.461 52.798 1.663 1
1 133 . 13 1 1 A 17 17 ASP HA H 17 4.611 4.739 -0.128 1
1 134 . 13 1 1 A 17 17 ASP CB C 17 41.340 42.006 -0.666 1
1 137 . 13 1 1 A 17 17 ASP C C 17 176.358 176.642 -0.284 1
1 138 . 13 1 1 A 18 18 LYS N N 18 121.459 124.197 -2.738 1
1 139 . 13 1 1 A 18 18 LYS H H 18 8.349 8.957 -0.608 1
1 140 . 13 1 1 A 18 18 LYS CA C 18 56.526 57.108 -0.582 1
1 141 . 13 1 1 A 18 18 LYS HA H 18 4.356 4.075 0.281 1
1 142 . 13 1 1 A 18 18 LYS CB C 18 32.744 31.008 1.736 1
1 152 . 13 1 1 A 18 18 LYS C C 18 177.305 176.740 0.565 1
1 153 . 13 1 1 A 19 19 GLY N N 19 109.072 107.589 1.483 1
1 154 . 13 1 1 A 19 19 GLY H H 19 8.533 8.277 0.256 1
1 155 . 13 1 1 A 19 19 GLY CA C 19 45.451 46.375 -0.924 1
1 156 . 13 1 1 A 19 19 GLY HA2 H 19 3.884 3.759 0.125 1
1 157 . 13 1 1 A 19 19 GLY HA3 H 19 3.960 3.822 0.138 1
1 158 . 13 1 1 A 19 19 GLY C C 19 174.028 173.506 0.522 1
1 159 . 13 1 1 A 20 20 PHE N N 20 119.395 117.634 1.761 1
1 160 . 13 1 1 A 20 20 PHE H H 20 8.014 7.499 0.515 1
1 161 . 13 1 1 A 20 20 PHE CA C 20 56.992 56.608 0.384 1
1 162 . 13 1 1 A 20 20 PHE HA H 20 5.166 5.150 0.016 1
1 163 . 13 1 1 A 20 20 PHE CB C 20 43.122 43.898 -0.776 1
1 176 . 13 1 1 A 20 20 PHE C C 20 174.247 174.292 -0.045 1
1 177 . 13 1 1 A 21 21 VAL N N 21 119.613 118.974 0.639 1
1 178 . 13 1 1 A 21 21 VAL H H 21 9.282 9.097 0.185 1
1 179 . 13 1 1 A 21 21 VAL CA C 21 60.286 60.214 0.072 1
1 180 . 13 1 1 A 21 21 VAL HA H 21 4.403 4.883 -0.480 1
1 181 . 13 1 1 A 21 21 VAL CB C 21 35.624 36.085 -0.461 1
1 191 . 13 1 1 A 21 21 VAL C C 21 174.077 174.086 -0.009 1
1 192 . 13 1 1 A 22 22 THR N N 22 123.150 122.068 1.082 1
1 193 . 13 1 1 A 22 22 THR H H 22 8.226 8.796 -0.570 1
1 194 . 13 1 1 A 22 22 THR CA C 22 61.672 61.638 0.034 1
1 195 . 13 1 1 A 22 22 THR HA H 22 5.214 5.096 0.118 1
1 196 . 13 1 1 A 22 22 THR CB C 22 69.636 70.912 -1.276 1
1 202 . 13 1 1 A 22 22 THR C C 22 174.319 173.679 0.640 1
1 203 . 13 1 1 A 23 23 MET N N 23 125.701 123.629 2.072 1
1 204 . 13 1 1 A 23 23 MET H H 23 9.254 9.024 0.230 1
1 205 . 13 1 1 A 23 23 MET CA C 23 54.250 54.277 -0.027 1
1 206 . 13 1 1 A 23 23 MET HA H 23 4.680 5.042 -0.362 1
1 207 . 13 1 1 A 23 23 MET CB C 23 34.967 37.027 -2.060 1
1 217 . 13 1 1 A 23 23 MET C C 23 174.028 173.895 0.133 1
1 218 . 13 1 1 A 24 24 THR N N 24 109.251 117.223 -7.972 1
1 219 . 13 1 1 A 24 24 THR H H 24 8.410 8.806 -0.396 1
1 220 . 13 1 1 A 24 24 THR CA C 24 59.952 61.505 -1.553 1
1 221 . 13 1 1 A 24 24 THR HA H 24 4.838 4.881 -0.043 1
1 222 . 13 1 1 A 24 24 THR CB C 24 71.427 70.991 0.436 1
1 228 . 13 1 1 A 24 24 THR C C 24 172.353 173.253 -0.900 1
1 229 . 13 1 1 A 25 25 LEU N N 25 125.384 126.317 -0.933 1
1 230 . 13 1 1 A 25 25 LEU H H 25 8.901 8.515 0.386 1
1 231 . 13 1 1 A 25 25 LEU CA C 25 53.373 54.092 -0.719 1
1 232 . 13 1 1 A 25 25 LEU HA H 25 5.333 4.914 0.419 1
1 233 . 13 1 1 A 25 25 LEU CB C 25 45.607 45.097 0.510 1
1 246 . 13 1 1 A 25 25 LEU C C 25 175.606 175.187 0.419 1
1 247 . 13 1 1 A 26 26 GLU N N 26 125.482 126.991 -1.509 1
1 248 . 13 1 1 A 26 26 GLU H H 26 9.147 9.074 0.073 1
1 249 . 13 1 1 A 26 26 GLU CA C 26 56.010 55.264 0.746 1
1 250 . 13 1 1 A 26 26 GLU HA H 26 4.922 4.818 0.104 1
1 251 . 13 1 1 A 26 26 GLU CB C 26 33.588 31.535 2.053 1
1 257 . 13 1 1 A 26 26 GLU C C 26 175.387 175.665 -0.278 1
1 258 . 13 1 1 A 27 27 SER N N 27 118.827 116.912 1.915 1
1 259 . 13 1 1 A 27 27 SER H H 27 8.432 8.494 -0.062 1
1 260 . 13 1 1 A 27 27 SER CA C 27 55.236 56.755 -1.519 1
1 261 . 13 1 1 A 27 27 SER HA H 27 3.720 4.022 -0.302 1
1 262 . 13 1 1 A 27 27 SER CB C 27 63.703 65.277 -1.574 1
1 265 . 13 1 1 A 27 27 SER C C 27 173.980 174.249 -0.269 1
1 266 . 13 1 1 A 28 28 LEU N N 28 121.319 121.920 -0.601 1
1 267 . 13 1 1 A 28 28 LEU H H 28 7.990 8.047 -0.057 1
1 268 . 13 1 1 A 28 28 LEU CA C 28 55.887 56.264 -0.377 1
1 269 . 13 1 1 A 28 28 LEU HA H 28 4.071 4.143 -0.072 1
1 270 . 13 1 1 A 28 28 LEU CB C 28 42.184 42.699 -0.515 1
1 283 . 13 1 1 A 28 28 LEU C C 28 177.159 176.316 0.843 1
1 284 . 13 1 1 A 29 29 GLU N N 29 115.740 116.027 -0.287 1
1 285 . 13 1 1 A 29 29 GLU H H 29 7.458 7.529 -0.071 1
1 286 . 13 1 1 A 29 29 GLU CA C 29 53.658 54.933 -1.275 1
1 287 . 13 1 1 A 29 29 GLU HA H 29 4.444 4.587 -0.143 1
1 288 . 13 1 1 A 29 29 GLU CB C 29 33.209 33.245 -0.036 1
1 294 . 13 1 1 A 29 29 GLU C C 29 174.417 174.451 -0.034 1
1 295 . 13 1 1 A 30 30 GLU N N 30 122.052 122.819 -0.767 1
1 296 . 13 1 1 A 30 30 GLU H H 30 8.500 8.449 0.051 1
1 297 . 13 1 1 A 30 30 GLU CA C 30 57.621 56.962 0.659 1
1 298 . 13 1 1 A 30 30 GLU HA H 30 4.297 4.599 -0.302 1
1 299 . 13 1 1 A 30 30 GLU CB C 30 30.403 30.508 -0.105 1
1 305 . 13 1 1 A 30 30 GLU C C 30 177.087 176.374 0.713 1
1 306 . 13 1 1 A 31 31 ILE N N 31 120.377 120.801 -0.424 1
1 307 . 13 1 1 A 31 31 ILE H H 31 8.828 8.382 0.446 1
1 308 . 13 1 1 A 31 31 ILE CA C 31 59.741 58.502 1.239 1
1 309 . 13 1 1 A 31 31 ILE HA H 31 4.680 4.751 -0.071 1
1 310 . 13 1 1 A 31 31 ILE CB C 31 40.845 40.840 0.005 1
1 323 . 13 1 1 A 31 31 ILE C C 31 175.776 176.982 -1.206 1
1 324 . 13 1 1 A 32 32 GLN N N 32 119.444 121.399 -1.955 1
1 325 . 13 1 1 A 32 32 GLN H H 32 8.668 8.690 -0.022 1
1 326 . 13 1 1 A 32 32 GLN CA C 32 57.277 57.832 -0.555 1
1 327 . 13 1 1 A 32 32 GLN HA H 32 4.302 4.244 0.058 1
1 328 . 13 1 1 A 32 32 GLN CB C 32 30.079 29.767 0.312 1
1 337 . 13 1 1 A 32 32 GLN C C 32 175.824 175.567 0.257 1
1 338 . 13 1 1 A 33 33 ASP N N 33 113.908 115.716 -1.808 1
1 339 . 13 1 1 A 33 33 ASP H H 33 7.684 7.936 -0.252 1
1 340 . 13 1 1 A 33 33 ASP CA C 33 53.441 53.001 0.440 1
1 341 . 13 1 1 A 33 33 ASP HA H 33 4.754 4.874 -0.120 1
1 342 . 13 1 1 A 33 33 ASP CB C 33 43.727 43.853 -0.126 1
1 345 . 13 1 1 A 33 33 ASP C C 33 175.824 176.000 -0.176 1
1 346 . 13 1 1 A 34 34 VAL N N 34 114.196 122.764 -8.568 1
1 347 . 13 1 1 A 34 34 VAL H H 34 8.640 8.834 -0.194 1
1 348 . 13 1 1 A 34 34 VAL CA C 34 64.836 65.096 -0.260 1
1 349 . 13 1 1 A 34 34 VAL HA H 34 3.910 3.944 -0.034 1
1 350 . 13 1 1 A 34 34 VAL CB C 34 31.539 31.619 -0.080 1
1 360 . 13 1 1 A 34 34 VAL C C 34 177.669 177.957 -0.288 1
1 361 . 13 1 1 A 35 35 SER N N 35 120.001 116.308 3.693 1
1 362 . 13 1 1 A 35 35 SER H H 35 9.274 8.605 0.669 1
1 363 . 13 1 1 A 35 35 SER CA C 35 62.276 61.325 0.951 1
1 364 . 13 1 1 A 35 35 SER HA H 35 4.448 4.440 0.008 1
1 365 . 13 1 1 A 35 35 SER CB C 35 62.255 62.855 -0.600 1
1 368 . 13 1 1 A 35 35 SER C C 35 177.305 177.659 -0.354 1
1 369 . 13 1 1 A 36 36 CYS N N 36 120.840 120.943 -0.103 1
1 370 . 13 1 1 A 36 36 CYS H H 36 7.894 8.362 -0.468 1
1 371 . 13 1 1 A 36 36 CYS CA C 36 62.416 63.067 -0.651 1
1 372 . 13 1 1 A 36 36 CYS HA H 36 4.310 4.252 0.058 1
1 373 . 13 1 1 A 36 36 CYS CB C 36 28.189 27.779 0.410 1
1 376 . 13 1 1 A 36 36 CYS C C 36 177.257 176.968 0.289 1
1 377 . 13 1 1 A 37 37 ALA N N 37 122.247 121.585 0.662 1
1 378 . 13 1 1 A 37 37 ALA H H 37 7.343 8.281 -0.938 1
1 379 . 13 1 1 A 37 37 ALA CA C 37 54.145 55.042 -0.897 1
1 380 . 13 1 1 A 37 37 ALA HA H 37 3.546 3.695 -0.149 1
1 381 . 13 1 1 A 37 37 ALA CB C 37 20.009 18.698 1.311 1
1 385 . 13 1 1 A 37 37 ALA C C 37 178.883 179.979 -1.096 1
1 386 . 13 1 1 A 38 38 TRP N N 38 117.352 118.541 -1.189 1
1 387 . 13 1 1 A 38 38 TRP H H 38 7.937 8.335 -0.398 1
1 388 . 13 1 1 A 38 38 TRP CA C 38 60.600 59.728 0.872 1
1 389 . 13 1 1 A 38 38 TRP HA H 38 4.276 4.439 -0.163 1
1 390 . 13 1 1 A 38 38 TRP CB C 38 29.693 29.180 0.513 1
1 405 . 13 1 1 A 38 38 TRP C C 38 178.664 179.046 -0.382 1
1 406 . 13 1 1 A 39 39 LYS N N 39 117.638 118.503 -0.865 1
1 407 . 13 1 1 A 39 39 LYS H H 39 8.102 8.510 -0.408 1
1 408 . 13 1 1 A 39 39 LYS CA C 39 60.009 58.681 1.328 1
1 409 . 13 1 1 A 39 39 LYS HA H 39 4.031 4.288 -0.257 1
1 410 . 13 1 1 A 39 39 LYS CB C 39 32.471 32.282 0.189 1
1 421 . 13 1 1 A 39 39 LYS C C 39 178.713 178.122 0.591 1
1 422 . 13 1 1 A 40 40 GLU N N 40 120.486 119.885 0.601 1
1 423 . 13 1 1 A 40 40 GLU H H 40 6.821 7.922 -1.101 1
1 424 . 13 1 1 A 40 40 GLU CA C 40 58.486 58.332 0.154 1
1 425 . 13 1 1 A 40 40 GLU HA H 40 4.350 4.209 0.141 1
1 426 . 13 1 1 A 40 40 GLU CB C 40 28.459 30.372 -1.913 1
1 432 . 13 1 1 A 40 40 GLU C C 40 178.543 179.110 -0.567 1
1 433 . 13 1 1 A 41 41 LEU N N 41 119.356 120.126 -0.770 1
1 434 . 13 1 1 A 41 41 LEU H H 41 8.291 8.332 -0.041 1
1 435 . 13 1 1 A 41 41 LEU CA C 41 59.002 58.092 0.910 1
1 436 . 13 1 1 A 41 41 LEU HA H 41 3.947 4.193 -0.246 1
1 437 . 13 1 1 A 41 41 LEU CB C 41 41.914 41.273 0.641 1
1 450 . 13 1 1 A 41 41 LEU C C 41 178.106 178.761 -0.655 1
1 451 . 13 1 1 A 42 42 ASN N N 42 113.310 116.983 -3.673 1
1 452 . 13 1 1 A 42 42 ASN H H 42 8.350 8.295 0.055 1
1 453 . 13 1 1 A 42 42 ASN CA C 42 55.623 55.639 -0.016 1
1 454 . 13 1 1 A 42 42 ASN HA H 42 4.420 4.723 -0.303 1
1 455 . 13 1 1 A 42 42 ASN CB C 42 39.318 38.290 1.028 1
1 461 . 13 1 1 A 42 42 ASN C C 42 176.820 176.405 0.415 1
1 462 . 13 1 1 A 43 43 ARG N N 43 117.734 118.064 -0.330 1
1 463 . 13 1 1 A 43 43 ARG H H 43 7.578 8.040 -0.462 1
1 464 . 13 1 1 A 43 43 ARG CA C 43 58.301 57.409 0.892 1
1 465 . 13 1 1 A 43 43 ARG HA H 43 4.227 4.389 -0.162 1
1 466 . 13 1 1 A 43 43 ARG CB C 43 31.361 31.127 0.234 1
1 475 . 13 1 1 A 43 43 ARG C C 43 178.106 177.936 0.170 1
1 476 . 13 1 1 A 44 44 LYS N N 44 115.502 117.557 -2.055 1
1 477 . 13 1 1 A 44 44 LYS H H 44 7.365 7.688 -0.323 1
1 478 . 13 1 1 A 44 44 LYS CA C 44 55.367 57.123 -1.756 1
1 479 . 13 1 1 A 44 44 LYS HA H 44 4.280 4.209 0.071 1
1 480 . 13 1 1 A 44 44 LYS CB C 44 34.289 32.690 1.599 1
1 491 . 13 1 1 A 44 44 LYS C C 44 176.504 176.432 0.072 1
1 492 . 13 1 1 A 45 45 LEU N N 45 118.486 119.546 -1.060 1
1 493 . 13 1 1 A 45 45 LEU H H 45 7.977 7.589 0.388 1
1 494 . 13 1 1 A 45 45 LEU CA C 45 53.335 53.227 0.108 1
1 495 . 13 1 1 A 45 45 LEU HA H 45 4.882 4.920 -0.038 1
1 496 . 13 1 1 A 45 45 LEU CB C 45 45.307 45.012 0.295 1
1 509 . 13 1 1 A 45 45 LEU C C 45 176.771 176.290 0.481 1
1 510 . 13 1 1 A 46 46 SER N N 46 116.809 117.788 -0.979 1
1 511 . 13 1 1 A 46 46 SER H H 46 9.074 8.946 0.128 1
1 512 . 13 1 1 A 46 46 SER CA C 46 57.981 58.134 -0.153 1
1 513 . 13 1 1 A 46 46 SER HA H 46 4.407 4.575 -0.168 1
1 514 . 13 1 1 A 46 46 SER CB C 46 64.496 64.356 0.140 1
1 517 . 13 1 1 A 46 46 SER C C 46 175.387 175.907 -0.520 1
1 518 . 13 1 1 A 47 47 SER N N 47 117.511 119.325 -1.814 1
1 519 . 13 1 1 A 47 47 SER H H 47 8.955 9.066 -0.111 1
1 520 . 13 1 1 A 47 47 SER CA C 47 61.523 62.143 -0.620 1
1 521 . 13 1 1 A 47 47 SER HA H 47 4.197 4.133 0.064 1
1 522 . 13 1 1 A 47 47 SER CB C 47 62.412 63.062 -0.650 1
1 525 . 13 1 1 A 48 48 ASN H H 48 8.475 8.295 0.180 1
1 526 . 13 1 1 A 48 48 ASN CA C 48 56.327 56.236 0.091 1
1 527 . 13 1 1 A 48 48 ASN HA H 48 4.421 4.488 -0.067 1
1 528 . 13 1 1 A 48 48 ASN CB C 48 38.635 37.888 0.747 1
1 534 . 13 1 1 A 48 48 ASN C C 48 177.232 177.623 -0.391 1
1 535 . 13 1 1 A 49 49 ALA N N 49 123.504 123.214 0.290 1
1 536 . 13 1 1 A 49 49 ALA H H 49 7.837 7.793 0.044 1
1 537 . 13 1 1 A 49 49 ALA CA C 49 55.271 55.060 0.211 1
1 538 . 13 1 1 A 49 49 ALA HA H 49 4.171 4.058 0.113 1
1 539 . 13 1 1 A 49 49 ALA CB C 49 19.301 18.298 1.003 1
1 543 . 13 1 1 A 49 49 ALA C C 49 179.830 180.210 -0.380 1
1 544 . 13 1 1 A 50 50 VAL N N 50 115.694 117.643 -1.949 1
1 545 . 13 1 1 A 50 50 VAL H H 50 8.069 8.280 -0.211 1
1 546 . 13 1 1 A 50 50 VAL CA C 50 65.728 65.027 0.701 1
1 547 . 13 1 1 A 50 50 VAL HA H 50 3.645 3.766 -0.121 1
1 548 . 13 1 1 A 50 50 VAL CB C 50 31.836 31.262 0.574 1
1 558 . 13 1 1 A 50 50 VAL C C 50 178.567 177.635 0.932 1
1 559 . 13 1 1 A 51 51 SER N N 51 114.048 116.600 -2.552 1
1 560 . 13 1 1 A 51 51 SER H H 51 7.849 7.934 -0.085 1
1 561 . 13 1 1 A 51 51 SER CA C 51 60.756 60.825 -0.069 1
1 562 . 13 1 1 A 51 51 SER HA H 51 4.334 4.398 -0.064 1
1 563 . 13 1 1 A 51 51 SER CB C 51 63.383 62.888 0.495 1
1 565 . 13 1 1 A 51 51 SER C C 51 174.635 176.260 -1.625 1
1 566 . 13 1 1 A 52 52 GLN N N 52 118.482 118.593 -0.111 1
1 567 . 13 1 1 A 52 52 GLN H H 52 7.564 7.906 -0.342 1
1 568 . 13 1 1 A 52 52 GLN CA C 52 55.306 57.707 -2.401 1
1 569 . 13 1 1 A 52 52 GLN HA H 52 4.389 4.374 0.015 1
1 570 . 13 1 1 A 52 52 GLN CB C 52 29.217 28.770 0.447 1
1 579 . 13 1 1 A 52 52 GLN C C 52 175.315 176.813 -1.498 1
1 580 . 13 1 1 A 53 53 ILE N N 53 119.847 122.290 -2.443 1
1 581 . 13 1 1 A 53 53 ILE H H 53 7.281 7.169 0.112 1
1 582 . 13 1 1 A 53 53 ILE CA C 53 62.903 61.977 0.926 1
1 583 . 13 1 1 A 53 53 ILE HA H 53 4.417 3.808 0.609 1
1 584 . 13 1 1 A 53 53 ILE CB C 53 38.124 36.992 1.132 1
1 597 . 13 1 1 A 53 53 ILE C C 53 176.383 175.018 1.365 1
1 598 . 13 1 1 A 54 54 THR N N 54 120.582 121.886 -1.304 1
1 599 . 13 1 1 A 54 54 THR H H 54 9.046 8.709 0.337 1
1 600 . 13 1 1 A 54 54 THR CA C 54 59.846 60.044 -0.198 1
1 601 . 13 1 1 A 54 54 THR HA H 54 4.834 4.831 0.003 1
1 602 . 13 1 1 A 54 54 THR CB C 54 71.904 71.581 0.323 1
1 608 . 13 1 1 A 54 54 THR C C 54 172.135 173.663 -1.528 1
1 609 . 13 1 1 A 55 55 ARG N N 55 118.375 123.657 -5.282 1
1 610 . 13 1 1 A 55 55 ARG H H 55 8.511 8.754 -0.243 1
1 611 . 13 1 1 A 55 55 ARG CA C 55 57.312 57.027 0.285 1
1 612 . 13 1 1 A 55 55 ARG HA H 55 3.782 3.809 -0.027 1
1 613 . 13 1 1 A 55 55 ARG CB C 55 28.704 28.596 0.108 1
1 622 . 13 1 1 A 55 55 ARG C C 55 174.684 174.744 -0.060 1
1 623 . 13 1 1 A 56 56 MET N N 56 118.525 117.381 1.144 1
1 624 . 13 1 1 A 56 56 MET H H 56 8.279 8.280 -0.001 1
1 625 . 13 1 1 A 56 56 MET CA C 56 55.799 54.399 1.400 1
1 626 . 13 1 1 A 56 56 MET HA H 56 5.188 5.098 0.090 1
1 627 . 13 1 1 A 56 56 MET CB C 56 33.062 33.398 -0.336 1
1 637 . 13 1 1 A 56 56 MET C C 56 177.572 174.723 2.849 1
1 638 . 13 1 1 A 57 57 CYS N N 57 126.541 127.641 -1.100 1
1 639 . 13 1 1 A 57 57 CYS H H 57 9.340 8.909 0.431 1
1 640 . 13 1 1 A 57 57 CYS CA C 57 57.171 57.416 -0.245 1
1 641 . 13 1 1 A 57 57 CYS HA H 57 4.794 5.234 -0.440 1
1 642 . 13 1 1 A 57 57 CYS CB C 57 31.161 30.905 0.256 1
1 645 . 13 1 1 A 57 57 CYS C C 57 173.057 173.825 -0.768 1
1 646 . 13 1 1 A 58 58 LEU N N 58 123.786 126.044 -2.258 1
1 647 . 13 1 1 A 58 58 LEU H H 58 8.682 8.633 0.049 1
1 648 . 13 1 1 A 58 58 LEU CA C 58 55.975 55.150 0.825 1
1 649 . 13 1 1 A 58 58 LEU HA H 58 4.520 4.361 0.159 1
1 650 . 13 1 1 A 58 58 LEU CB C 58 43.097 42.139 0.958 1
1 663 . 13 1 1 A 58 58 LEU C C 58 177.960 177.524 0.436 1
1 664 . 13 1 1 A 59 59 LEU N N 59 124.007 124.060 -0.053 1
1 665 . 13 1 1 A 59 59 LEU H H 59 8.269 8.327 -0.058 1
1 666 . 13 1 1 A 59 59 LEU CA C 59 54.156 53.941 0.215 1
1 667 . 13 1 1 A 59 59 LEU HA H 59 4.261 4.528 -0.267 1
1 668 . 13 1 1 A 59 59 LEU CB C 59 42.986 42.286 0.700 1
1 681 . 13 1 1 A 59 59 LEU C C 59 177.645 177.420 0.225 1
1 682 . 13 1 1 A 60 60 LYS N N 60 122.593 121.624 0.969 1
1 683 . 13 1 1 A 60 60 LYS H H 60 8.458 8.613 -0.155 1
1 684 . 13 1 1 A 60 60 LYS CA C 60 58.263 58.288 -0.025 1
1 685 . 13 1 1 A 60 60 LYS HA H 60 4.101 3.917 0.184 1
1 686 . 13 1 1 A 60 60 LYS CB C 60 31.732 32.642 -0.910 1
1 696 . 13 1 1 A 60 60 LYS C C 60 178.422 177.613 0.809 1
1 697 . 13 1 1 A 61 61 GLY H H 61 9.070 8.869 0.201 1
1 698 . 13 1 1 A 61 61 GLY CA C 61 45.355 45.969 -0.614 1
1 699 . 13 1 1 A 61 61 GLY HA2 H 61 3.641 3.890 -0.249 1
1 700 . 13 1 1 A 61 61 GLY HA3 H 61 4.223 3.897 0.326 1
1 701 . 13 1 1 A 61 61 GLY C C 61 173.907 174.088 -0.181 1
1 702 . 13 1 1 A 62 62 ASN N N 62 112.617 111.765 0.852 1
1 703 . 13 1 1 A 62 62 ASN H H 62 8.639 8.060 0.579 1
1 704 . 13 1 1 A 62 62 ASN CA C 62 55.115 54.120 0.995 1
1 705 . 13 1 1 A 62 62 ASN HA H 62 4.208 4.408 -0.200 1
1 706 . 13 1 1 A 62 62 ASN CB C 62 36.133 36.773 -0.640 1
1 712 . 13 1 1 A 62 62 ASN C C 62 173.810 175.390 -1.580 1
1 713 . 13 1 1 A 63 63 MET N N 63 114.254 115.813 -1.559 1
1 714 . 13 1 1 A 63 63 MET H H 63 7.967 8.298 -0.331 1
1 715 . 13 1 1 A 63 63 MET CA C 63 53.229 55.752 -2.523 1
1 716 . 13 1 1 A 63 63 MET HA H 63 4.908 4.558 0.350 1
1 717 . 13 1 1 A 63 63 MET CB C 63 29.363 33.456 -4.093 1
1 727 . 13 1 1 A 63 63 MET C C 63 175.436 175.211 0.225 1
1 728 . 13 1 1 A 64 64 GLY N N 64 102.826 105.393 -2.567 1
1 729 . 13 1 1 A 64 64 GLY H H 64 7.039 7.464 -0.425 1
1 730 . 13 1 1 A 64 64 GLY CA C 64 45.381 45.817 -0.436 1
1 731 . 13 1 1 A 64 64 GLY HA2 H 64 4.902 4.002 0.900 1
1 732 . 13 1 1 A 64 64 GLY HA3 H 64 4.026 4.003 0.023 1
1 733 . 13 1 1 A 64 64 GLY C C 64 171.868 171.500 0.368 1
1 734 . 13 1 1 A 65 65 VAL N N 65 110.602 115.867 -5.265 1
1 735 . 13 1 1 A 65 65 VAL H H 65 8.994 8.797 0.197 1
1 736 . 13 1 1 A 65 65 VAL CA C 65 58.892 59.010 -0.118 1
1 737 . 13 1 1 A 65 65 VAL HA H 65 5.511 5.034 0.477 1
1 738 . 13 1 1 A 65 65 VAL CB C 65 36.392 35.856 0.536 1
1 748 . 13 1 1 A 65 65 VAL C C 65 174.319 173.581 0.738 1
1 749 . 13 1 1 A 66 66 CYS N N 66 115.721 120.821 -5.100 1
1 750 . 13 1 1 A 66 66 CYS H H 66 9.175 8.140 1.035 1
1 751 . 13 1 1 A 66 66 CYS CA C 66 54.912 57.507 -2.595 1
1 752 . 13 1 1 A 66 66 CYS HA H 66 5.590 4.912 0.678 1
1 753 . 13 1 1 A 66 66 CYS CB C 66 31.672 30.586 1.086 1
1 756 . 13 1 1 A 66 66 CYS C C 66 171.941 172.709 -0.768 1
1 757 . 13 1 1 A 67 67 PHE N N 67 114.941 120.545 -5.604 1
1 758 . 13 1 1 A 67 67 PHE H H 67 8.220 8.349 -0.129 1
1 759 . 13 1 1 A 67 67 PHE CA C 67 56.468 55.738 0.730 1
1 760 . 13 1 1 A 67 67 PHE HA H 67 4.879 5.345 -0.466 1
1 761 . 13 1 1 A 67 67 PHE CB C 67 39.366 41.279 -1.913 1
1 774 . 13 1 1 A 67 67 PHE C C 67 171.552 171.732 -0.180 1
1 775 . 13 1 1 A 68 68 ASP N N 68 119.507 119.748 -0.241 1
1 776 . 13 1 1 A 68 68 ASP H H 68 9.072 9.062 0.010 1
1 777 . 13 1 1 A 68 68 ASP CA C 68 52.737 53.227 -0.490 1
1 778 . 13 1 1 A 68 68 ASP HA H 68 5.901 5.685 0.216 1
1 779 . 13 1 1 A 68 68 ASP CB C 68 42.545 43.257 -0.712 1
1 782 . 13 1 1 A 68 68 ASP C C 68 176.116 175.816 0.300 1
1 783 . 13 1 1 A 69 69 VAL N N 69 114.937 117.521 -2.584 1
1 784 . 13 1 1 A 69 69 VAL H H 69 8.819 8.974 -0.155 1
1 785 . 13 1 1 A 69 69 VAL CA C 69 58.051 58.029 0.022 1
1 786 . 13 1 1 A 69 69 VAL HA H 69 5.205 4.994 0.211 1
1 787 . 13 1 1 A 69 69 VAL CB C 69 35.698 34.887 0.811 1
1 797 . 13 1 1 A 69 69 VAL C C 69 173.154 173.850 -0.696 1
1 798 . 13 1 1 A 70 70 PRO CA C 70 62.946 62.169 0.777 1
1 799 . 13 1 1 A 70 70 PRO HA H 70 4.479 4.245 0.234 1
1 800 . 13 1 1 A 70 70 PRO CB C 70 32.255 32.647 -0.392 1
1 809 . 13 1 1 A 70 70 PRO C C 70 178.737 177.294 1.443 1
1 810 . 13 1 1 A 71 71 THR N N 71 119.743 114.381 5.362 1
1 811 . 13 1 1 A 71 71 THR H H 71 8.401 8.032 0.369 1
1 812 . 13 1 1 A 71 71 THR CA C 71 66.415 64.388 2.027 1
1 813 . 13 1 1 A 71 71 THR HA H 71 3.761 4.014 -0.253 1
1 814 . 13 1 1 A 71 71 THR CB C 71 68.476 68.579 -0.103 1
1 820 . 13 1 1 A 71 71 THR C C 71 176.965 175.146 1.819 1
1 821 . 13 1 1 A 72 72 THR N N 72 109.724 114.062 -4.338 1
1 822 . 13 1 1 A 72 72 THR H H 72 7.747 7.686 0.061 1
1 823 . 13 1 1 A 72 72 THR CA C 72 64.100 63.658 0.442 1
1 824 . 13 1 1 A 72 72 THR HA H 72 4.120 4.285 -0.165 1
1 825 . 13 1 1 A 72 72 THR CB C 72 68.471 69.392 -0.921 1
1 831 . 13 1 1 A 72 72 THR C C 72 175.849 175.986 -0.137 1
1 832 . 13 1 1 A 73 73 GLU N N 73 118.626 121.386 -2.760 1
1 833 . 13 1 1 A 73 73 GLU H H 73 7.767 7.815 -0.048 1
1 834 . 13 1 1 A 73 73 GLU CA C 73 55.623 58.441 -2.818 1
1 835 . 13 1 1 A 73 73 GLU HA H 73 4.587 4.236 0.351 1
1 836 . 13 1 1 A 73 73 GLU CB C 73 30.542 29.654 0.888 1
1 842 . 13 1 1 A 73 73 GLU C C 73 177.257 178.443 -1.186 1
1 843 . 13 1 1 A 74 74 SER N N 74 114.932 115.931 -0.999 1
1 844 . 13 1 1 A 74 74 SER H H 74 7.442 8.038 -0.596 1
1 845 . 13 1 1 A 74 74 SER CA C 74 62.099 61.068 1.031 1
1 846 . 13 1 1 A 74 74 SER HA H 74 3.938 4.210 -0.272 1
1 847 . 13 1 1 A 74 74 SER CB C 74 63.067 62.591 0.476 1
1 850 . 13 1 1 A 74 74 SER C C 74 176.528 177.231 -0.703 1
1 851 . 13 1 1 A 75 75 GLU N N 75 120.907 122.523 -1.616 1
1 852 . 13 1 1 A 75 75 GLU H H 75 8.350 7.663 0.687 1
1 853 . 13 1 1 A 75 75 GLU CA C 75 59.706 59.363 0.343 1
1 854 . 13 1 1 A 75 75 GLU HA H 75 4.045 4.129 -0.084 1
1 855 . 13 1 1 A 75 75 GLU CB C 75 29.085 29.320 -0.235 1
1 861 . 13 1 1 A 75 75 GLU C C 75 179.320 179.365 -0.045 1
1 862 . 13 1 1 A 76 76 ARG N N 76 121.343 119.903 1.440 1
1 863 . 13 1 1 A 76 76 ARG H H 76 7.948 7.997 -0.049 1
1 864 . 13 1 1 A 76 76 ARG CA C 76 59.188 58.397 0.791 1
1 865 . 13 1 1 A 76 76 ARG HA H 76 4.094 4.126 -0.032 1
1 866 . 13 1 1 A 76 76 ARG CB C 76 29.726 29.651 0.075 1
1 875 . 13 1 1 A 76 76 ARG C C 76 178.373 178.084 0.289 1
1 876 . 13 1 1 A 77 77 LEU N N 77 120.110 119.990 0.120 1
1 877 . 13 1 1 A 77 77 LEU H H 77 8.029 8.611 -0.582 1
1 878 . 13 1 1 A 77 77 LEU CA C 77 59.809 58.094 1.715 1
1 879 . 13 1 1 A 77 77 LEU HA H 77 3.975 4.029 -0.054 1
1 880 . 13 1 1 A 77 77 LEU CB C 77 42.216 41.280 0.936 1
1 893 . 13 1 1 A 77 77 LEU C C 77 178.810 179.657 -0.847 1
1 894 . 13 1 1 A 78 78 GLN N N 78 114.090 117.183 -3.093 1
1 895 . 13 1 1 A 78 78 GLN H H 78 7.680 7.802 -0.122 1
1 896 . 13 1 1 A 78 78 GLN CA C 78 59.600 58.611 0.989 1
1 897 . 13 1 1 A 78 78 GLN HA H 78 3.915 4.130 -0.215 1
1 898 . 13 1 1 A 78 78 GLN CB C 78 30.101 28.865 1.236 1
1 907 . 13 1 1 A 78 78 GLN C C 78 178.325 177.098 1.227 1
1 908 . 13 1 1 A 79 79 ALA N N 79 119.863 122.262 -2.399 1
1 909 . 13 1 1 A 79 79 ALA H H 79 7.900 7.581 0.319 1
1 910 . 13 1 1 A 79 79 ALA CA C 79 54.321 53.514 0.807 1
1 911 . 13 1 1 A 79 79 ALA HA H 79 4.255 4.312 -0.057 1
1 912 . 13 1 1 A 79 79 ALA CB C 79 18.596 19.128 -0.532 1
1 916 . 13 1 1 A 79 79 ALA C C 79 179.514 178.620 0.894 1
1 917 . 13 1 1 A 80 80 GLU N N 80 115.847 115.407 0.440 1
1 918 . 13 1 1 A 80 80 GLU H H 80 7.773 7.780 -0.007 1
1 919 . 13 1 1 A 80 80 GLU CA C 80 57.312 56.983 0.329 1
1 920 . 13 1 1 A 80 80 GLU HA H 80 4.286 4.414 -0.128 1
1 921 . 13 1 1 A 80 80 GLU CB C 80 31.095 30.504 0.591 1
1 927 . 13 1 1 A 80 80 GLU C C 80 176.965 176.922 0.043 1
1 928 . 13 1 1 A 81 81 TRP N N 81 122.132 123.282 -1.150 1
1 929 . 13 1 1 A 81 81 TRP H H 81 7.661 7.881 -0.220 1
1 930 . 13 1 1 A 81 81 TRP CA C 81 58.641 56.975 1.666 1
1 931 . 13 1 1 A 81 81 TRP HA H 81 4.261 4.714 -0.453 1
1 932 . 13 1 1 A 81 81 TRP CB C 81 29.118 29.296 -0.178 1
1 947 . 13 1 1 A 81 81 TRP C C 81 174.611 175.579 -0.968 1
1 948 . 13 1 1 A 82 82 HIS CA C 82 54.101 55.096 -0.995 1
1 949 . 13 1 1 A 82 82 HIS HA H 82 4.727 4.554 0.173 1
1 950 . 13 1 1 A 82 82 HIS CB C 82 30.847 32.136 -1.289 1
1 957 . 13 1 1 A 83 83 ASP CA C 83 54.997 55.170 -0.173 1
1 958 . 13 1 1 A 83 83 ASP HA H 83 4.342 4.148 0.194 1
1 959 . 13 1 1 A 83 83 ASP CB C 83 40.395 40.449 -0.054 1
1 962 . 13 1 1 A 83 83 ASP C C 83 174.198 174.781 -0.583 1
1 963 . 13 1 1 A 84 84 SER N N 84 111.986 112.597 -0.611 1
1 964 . 13 1 1 A 84 84 SER H H 84 7.863 7.681 0.182 1
1 965 . 13 1 1 A 84 84 SER CA C 84 56.714 56.490 0.224 1
1 966 . 13 1 1 A 84 84 SER HA H 84 4.584 4.782 -0.198 1
1 967 . 13 1 1 A 84 84 SER CB C 84 64.374 64.849 -0.475 1
1 970 . 13 1 1 A 84 84 SER C C 84 174.489 172.749 1.740 1
1 971 . 13 1 1 A 85 85 ASP N N 85 125.547 122.990 2.557 1
1 972 . 13 1 1 A 85 85 ASP H H 85 9.268 8.542 0.726 1
1 973 . 13 1 1 A 85 85 ASP CA C 85 55.447 55.738 -0.291 1
1 974 . 13 1 1 A 85 85 ASP HA H 85 4.704 4.737 -0.033 1
1 975 . 13 1 1 A 85 85 ASP CB C 85 40.980 41.501 -0.521 1
1 978 . 13 1 1 A 85 85 ASP C C 85 177.038 176.663 0.375 1
1 979 . 13 1 1 A 86 86 TRP N N 86 121.831 120.083 1.748 1
1 980 . 13 1 1 A 86 86 TRP H H 86 9.345 8.077 1.268 1
1 981 . 13 1 1 A 86 86 TRP CA C 86 56.967 57.316 -0.349 1
1 982 . 13 1 1 A 86 86 TRP HA H 86 5.091 5.202 -0.111 1
1 983 . 13 1 1 A 86 86 TRP CB C 86 29.118 31.017 -1.899 1
1 998 . 13 1 1 A 86 86 TRP C C 86 176.723 176.954 -0.231 1
1 999 . 13 1 1 A 87 87 ILE N N 87 123.116 123.875 -0.759 1
1 1000 . 13 1 1 A 87 87 ILE H H 87 8.965 8.741 0.224 1
1 1001 . 13 1 1 A 87 87 ILE CA C 87 60.595 60.074 0.521 1
1 1002 . 13 1 1 A 87 87 ILE HA H 87 4.462 4.834 -0.372 1
1 1003 . 13 1 1 A 87 87 ILE CB C 87 40.354 39.557 0.797 1
1 1016 . 13 1 1 A 87 87 ILE C C 87 175.824 174.861 0.963 1
1 1017 . 13 1 1 A 88 88 LEU N N 88 134.475 130.712 3.763 1
1 1018 . 13 1 1 A 88 88 LEU H H 88 8.736 9.089 -0.353 1
1 1019 . 13 1 1 A 88 88 LEU CA C 88 53.763 53.513 0.250 1
1 1020 . 13 1 1 A 88 88 LEU HA H 88 5.163 5.018 0.145 1
1 1021 . 13 1 1 A 88 88 LEU CB C 88 43.020 44.196 -1.176 1
1 1034 . 13 1 1 A 88 88 LEU C C 88 175.824 175.608 0.216 1
1 1035 . 13 1 1 A 89 89 SER N N 89 122.016 119.653 2.363 1
1 1036 . 13 1 1 A 89 89 SER H H 89 9.152 8.839 0.313 1
1 1037 . 13 1 1 A 89 89 SER CA C 89 57.242 56.454 0.788 1
1 1038 . 13 1 1 A 89 89 SER HA H 89 4.739 5.160 -0.421 1
1 1039 . 13 1 1 A 89 89 SER CB C 89 65.526 66.584 -1.058 1
1 1042 . 13 1 1 A 89 89 SER C C 89 171.989 172.633 -0.644 1
1 1043 . 13 1 1 A 90 90 VAL N N 90 119.844 121.183 -1.339 1
1 1044 . 13 1 1 A 90 90 VAL H H 90 8.220 8.816 -0.596 1
1 1045 . 13 1 1 A 90 90 VAL CA C 90 59.143 59.138 0.005 1
1 1046 . 13 1 1 A 90 90 VAL HA H 90 4.604 4.623 -0.019 1
1 1047 . 13 1 1 A 90 90 VAL CB C 90 33.056 32.990 0.066 1
1 1057 . 13 1 1 A 90 90 VAL C C 90 174.198 174.433 -0.235 1
1 1058 . 13 1 1 A 91 91 PRO CA C 91 63.467 62.266 1.201 1
1 1059 . 13 1 1 A 91 91 PRO HA H 91 4.329 4.681 -0.352 1
1 1060 . 13 1 1 A 91 91 PRO CB C 91 32.003 32.407 -0.404 1
1 1069 . 13 1 1 A 91 91 PRO C C 91 175.557 176.710 -1.153 1
1 1 . 14 1 1 A 6 6 SER CA C 6 58.720 57.580 1.140 1
1 2 . 14 1 1 A 6 6 SER HA H 6 4.456 4.847 -0.391 1
1 3 . 14 1 1 A 6 6 SER CB C 6 63.880 64.348 -0.468 1
1 6 . 14 1 1 A 6 6 SER C C 6 174.951 174.705 0.246 1
1 7 . 14 1 1 A 7 7 GLY N N 7 110.558 109.209 1.349 1
1 8 . 14 1 1 A 7 7 GLY H H 7 8.377 7.553 0.824 1
1 9 . 14 1 1 A 7 7 GLY CA C 7 45.205 45.189 0.016 1
1 10 . 14 1 1 A 7 7 GLY HA2 H 7 3.879 4.070 -0.191 1
1 11 . 14 1 1 A 7 7 GLY HA3 H 7 3.910 4.076 -0.166 1
1 12 . 14 1 1 A 7 7 GLY C C 7 173.615 174.604 -0.989 1
1 13 . 14 1 1 A 8 8 PHE N N 8 119.857 121.792 -1.935 1
1 14 . 14 1 1 A 8 8 PHE H H 8 8.062 8.228 -0.166 1
1 15 . 14 1 1 A 8 8 PHE CA C 8 57.418 58.541 -1.123 1
1 16 . 14 1 1 A 8 8 PHE HA H 8 4.624 4.429 0.195 1
1 17 . 14 1 1 A 8 8 PHE CB C 8 39.749 38.481 1.268 1
1 30 . 14 1 1 A 8 8 PHE C C 8 175.242 175.282 -0.040 1
1 31 . 14 1 1 A 9 9 GLU N N 9 124.807 121.180 3.627 1
1 32 . 14 1 1 A 9 9 GLU H H 9 8.311 7.678 0.633 1
1 33 . 14 1 1 A 9 9 GLU CA C 9 54.034 53.969 0.065 1
1 34 . 14 1 1 A 9 9 GLU HA H 9 4.546 4.807 -0.261 1
1 35 . 14 1 1 A 9 9 GLU CB C 9 29.859 30.369 -0.510 1
1 40 . 14 1 1 A 9 9 GLU C C 9 174.125 174.120 0.005 1
1 41 . 14 1 1 A 10 10 PRO CA C 10 63.366 62.603 0.763 1
1 42 . 14 1 1 A 10 10 PRO HA H 10 4.334 4.582 -0.248 1
1 43 . 14 1 1 A 10 10 PRO CB C 10 32.033 31.894 0.139 1
1 52 . 14 1 1 A 10 10 PRO C C 10 177.062 176.589 0.473 1
1 53 . 14 1 1 A 11 11 ARG N N 11 120.726 122.223 -1.497 1
1 54 . 14 1 1 A 11 11 ARG H H 11 8.477 8.467 0.010 1
1 55 . 14 1 1 A 11 11 ARG CA C 11 56.175 56.418 -0.243 1
1 56 . 14 1 1 A 11 11 ARG HA H 11 4.318 4.563 -0.245 1
1 57 . 14 1 1 A 11 11 ARG CB C 11 30.831 30.637 0.194 1
1 66 . 14 1 1 A 11 11 ARG C C 11 176.455 175.508 0.947 1
1 67 . 14 1 1 A 12 12 SER N N 12 116.599 118.166 -1.567 1
1 68 . 14 1 1 A 12 12 SER H H 12 8.289 8.751 -0.462 1
1 69 . 14 1 1 A 12 12 SER CA C 12 58.330 57.907 0.423 1
1 70 . 14 1 1 A 12 12 SER HA H 12 4.396 4.928 -0.532 1
1 71 . 14 1 1 A 12 12 SER CB C 12 63.633 64.761 -1.128 1
1 74 . 14 1 1 A 12 12 SER C C 12 174.465 173.054 1.411 1
1 75 . 14 1 1 A 13 13 LEU N N 13 124.186 128.896 -4.710 1
1 76 . 14 1 1 A 13 13 LEU H H 13 8.275 8.980 -0.705 1
1 77 . 14 1 1 A 13 13 LEU CA C 13 55.306 53.469 1.837 1
1 78 . 14 1 1 A 13 13 LEU HA H 13 4.361 4.691 -0.330 1
1 79 . 14 1 1 A 13 13 LEU CB C 13 42.350 42.763 -0.413 1
1 92 . 14 1 1 A 13 13 LEU C C 13 177.184 175.811 1.373 1
1 93 . 14 1 1 A 14 14 ILE N N 14 121.445 122.400 -0.955 1
1 94 . 14 1 1 A 14 14 ILE H H 14 8.106 7.946 0.160 1
1 95 . 14 1 1 A 14 14 ILE CA C 14 61.248 61.011 0.237 1
1 96 . 14 1 1 A 14 14 ILE HA H 14 4.202 4.443 -0.241 1
1 97 . 14 1 1 A 14 14 ILE CB C 14 38.555 38.672 -0.117 1
1 110 . 14 1 1 A 14 14 ILE C C 14 176.528 175.628 0.900 1
1 111 . 14 1 1 A 15 15 THR N N 15 118.053 122.238 -4.185 1
1 112 . 14 1 1 A 15 15 THR H H 15 8.226 8.501 -0.275 1
1 113 . 14 1 1 A 15 15 THR CA C 15 61.573 61.396 0.177 1
1 114 . 14 1 1 A 15 15 THR HA H 15 4.401 4.560 -0.159 1
1 115 . 14 1 1 A 15 15 THR CB C 15 69.795 71.489 -1.694 1
1 121 . 14 1 1 A 15 15 THR C C 15 174.538 175.534 -0.996 1
1 122 . 14 1 1 A 16 16 SER N N 16 117.877 116.201 1.676 1
1 123 . 14 1 1 A 16 16 SER H H 16 8.272 7.889 0.383 1
1 124 . 14 1 1 A 16 16 SER CA C 16 55.830 62.039 -6.209 1
1 125 . 14 1 1 A 16 16 SER HA H 16 4.448 4.025 0.423 1
1 126 . 14 1 1 A 16 16 SER CB C 16 63.880 63.057 0.823 1
1 129 . 14 1 1 A 16 16 SER C C 16 174.247 174.356 -0.109 1
1 130 . 14 1 1 A 17 17 ASP N N 17 122.892 119.474 3.418 1
1 131 . 14 1 1 A 17 17 ASP H H 17 8.425 8.208 0.217 1
1 132 . 14 1 1 A 17 17 ASP CA C 17 54.461 54.790 -0.329 1
1 133 . 14 1 1 A 17 17 ASP HA H 17 4.611 4.301 0.310 1
1 134 . 14 1 1 A 17 17 ASP CB C 17 41.340 39.314 2.026 1
1 137 . 14 1 1 A 17 17 ASP C C 17 176.358 176.227 0.131 1
1 138 . 14 1 1 A 18 18 LYS N N 18 121.459 117.783 3.676 1
1 139 . 14 1 1 A 18 18 LYS H H 18 8.349 8.435 -0.086 1
1 140 . 14 1 1 A 18 18 LYS CA C 18 56.526 55.589 0.937 1
1 141 . 14 1 1 A 18 18 LYS HA H 18 4.356 4.550 -0.194 1
1 142 . 14 1 1 A 18 18 LYS CB C 18 32.744 34.799 -2.055 1
1 152 . 14 1 1 A 18 18 LYS C C 18 177.305 177.304 0.001 1
1 153 . 14 1 1 A 19 19 GLY N N 19 109.072 109.626 -0.554 1
1 154 . 14 1 1 A 19 19 GLY H H 19 8.533 8.471 0.062 1
1 155 . 14 1 1 A 19 19 GLY CA C 19 45.451 45.654 -0.203 1
1 156 . 14 1 1 A 19 19 GLY HA2 H 19 3.884 3.854 0.030 1
1 157 . 14 1 1 A 19 19 GLY HA3 H 19 3.960 3.928 0.032 1
1 158 . 14 1 1 A 19 19 GLY C C 19 174.028 173.243 0.785 1
1 159 . 14 1 1 A 20 20 PHE N N 20 119.395 118.300 1.095 1
1 160 . 14 1 1 A 20 20 PHE H H 20 8.014 8.097 -0.083 1
1 161 . 14 1 1 A 20 20 PHE CA C 20 56.992 56.273 0.719 1
1 162 . 14 1 1 A 20 20 PHE HA H 20 5.166 5.325 -0.159 1
1 163 . 14 1 1 A 20 20 PHE CB C 20 43.122 43.493 -0.371 1
1 176 . 14 1 1 A 20 20 PHE C C 20 174.247 174.068 0.179 1
1 177 . 14 1 1 A 21 21 VAL N N 21 119.613 118.916 0.697 1
1 178 . 14 1 1 A 21 21 VAL H H 21 9.282 9.080 0.202 1
1 179 . 14 1 1 A 21 21 VAL CA C 21 60.286 60.233 0.053 1
1 180 . 14 1 1 A 21 21 VAL HA H 21 4.403 4.838 -0.435 1
1 181 . 14 1 1 A 21 21 VAL CB C 21 35.624 35.963 -0.339 1
1 191 . 14 1 1 A 21 21 VAL C C 21 174.077 174.001 0.076 1
1 192 . 14 1 1 A 22 22 THR N N 22 123.150 122.015 1.135 1
1 193 . 14 1 1 A 22 22 THR H H 22 8.226 8.743 -0.517 1
1 194 . 14 1 1 A 22 22 THR CA C 22 61.672 61.494 0.178 1
1 195 . 14 1 1 A 22 22 THR HA H 22 5.214 5.001 0.213 1
1 196 . 14 1 1 A 22 22 THR CB C 22 69.636 71.197 -1.561 1
1 202 . 14 1 1 A 22 22 THR C C 22 174.319 173.747 0.572 1
1 203 . 14 1 1 A 23 23 MET N N 23 125.701 121.812 3.889 1
1 204 . 14 1 1 A 23 23 MET H H 23 9.254 8.838 0.416 1
1 205 . 14 1 1 A 23 23 MET CA C 23 54.250 54.077 0.173 1
1 206 . 14 1 1 A 23 23 MET HA H 23 4.680 4.966 -0.286 1
1 207 . 14 1 1 A 23 23 MET CB C 23 34.967 37.147 -2.180 1
1 217 . 14 1 1 A 23 23 MET C C 23 174.028 174.155 -0.127 1
1 218 . 14 1 1 A 24 24 THR N N 24 109.251 110.968 -1.717 1
1 219 . 14 1 1 A 24 24 THR H H 24 8.410 8.318 0.092 1
1 220 . 14 1 1 A 24 24 THR CA C 24 59.952 59.443 0.509 1
1 221 . 14 1 1 A 24 24 THR HA H 24 4.838 4.995 -0.157 1
1 222 . 14 1 1 A 24 24 THR CB C 24 71.427 71.735 -0.308 1
1 228 . 14 1 1 A 24 24 THR C C 24 172.353 172.680 -0.327 1
1 229 . 14 1 1 A 25 25 LEU N N 25 125.384 123.120 2.264 1
1 230 . 14 1 1 A 25 25 LEU H H 25 8.901 8.524 0.377 1
1 231 . 14 1 1 A 25 25 LEU CA C 25 53.373 54.166 -0.793 1
1 232 . 14 1 1 A 25 25 LEU HA H 25 5.333 5.042 0.291 1
1 233 . 14 1 1 A 25 25 LEU CB C 25 45.607 45.144 0.463 1
1 246 . 14 1 1 A 25 25 LEU C C 25 175.606 174.797 0.809 1
1 247 . 14 1 1 A 26 26 GLU N N 26 125.482 127.044 -1.562 1
1 248 . 14 1 1 A 26 26 GLU H H 26 9.147 9.148 -0.001 1
1 249 . 14 1 1 A 26 26 GLU CA C 26 56.010 55.270 0.740 1
1 250 . 14 1 1 A 26 26 GLU HA H 26 4.922 4.857 0.065 1
1 251 . 14 1 1 A 26 26 GLU CB C 26 33.588 31.636 1.952 1
1 257 . 14 1 1 A 26 26 GLU C C 26 175.387 176.277 -0.890 1
1 258 . 14 1 1 A 27 27 SER N N 27 118.827 117.496 1.331 1
1 259 . 14 1 1 A 27 27 SER H H 27 8.432 8.682 -0.250 1
1 260 . 14 1 1 A 27 27 SER CA C 27 55.236 55.909 -0.673 1
1 261 . 14 1 1 A 27 27 SER HA H 27 3.720 4.254 -0.534 1
1 262 . 14 1 1 A 27 27 SER CB C 27 63.703 65.383 -1.680 1
1 265 . 14 1 1 A 27 27 SER C C 27 173.980 175.316 -1.336 1
1 266 . 14 1 1 A 28 28 LEU N N 28 121.319 122.532 -1.213 1
1 267 . 14 1 1 A 28 28 LEU H H 28 7.990 8.311 -0.321 1
1 268 . 14 1 1 A 28 28 LEU CA C 28 55.887 56.012 -0.125 1
1 269 . 14 1 1 A 28 28 LEU HA H 28 4.071 4.149 -0.078 1
1 270 . 14 1 1 A 28 28 LEU CB C 28 42.184 42.876 -0.692 1
1 283 . 14 1 1 A 28 28 LEU C C 28 177.159 176.147 1.012 1
1 284 . 14 1 1 A 29 29 GLU N N 29 115.740 116.121 -0.381 1
1 285 . 14 1 1 A 29 29 GLU H H 29 7.458 7.729 -0.271 1
1 286 . 14 1 1 A 29 29 GLU CA C 29 53.658 54.432 -0.774 1
1 287 . 14 1 1 A 29 29 GLU HA H 29 4.444 4.638 -0.194 1
1 288 . 14 1 1 A 29 29 GLU CB C 29 33.209 34.614 -1.405 1
1 294 . 14 1 1 A 29 29 GLU C C 29 174.417 175.666 -1.249 1
1 295 . 14 1 1 A 30 30 GLU N N 30 122.052 122.055 -0.003 1
1 296 . 14 1 1 A 30 30 GLU H H 30 8.500 8.506 -0.006 1
1 297 . 14 1 1 A 30 30 GLU CA C 30 57.621 57.001 0.620 1
1 298 . 14 1 1 A 30 30 GLU HA H 30 4.297 4.277 0.020 1
1 299 . 14 1 1 A 30 30 GLU CB C 30 30.403 30.588 -0.185 1
1 305 . 14 1 1 A 30 30 GLU C C 30 177.087 175.974 1.113 1
1 306 . 14 1 1 A 31 31 ILE N N 31 120.377 120.227 0.150 1
1 307 . 14 1 1 A 31 31 ILE H H 31 8.828 8.520 0.308 1
1 308 . 14 1 1 A 31 31 ILE CA C 31 59.741 58.407 1.334 1
1 309 . 14 1 1 A 31 31 ILE HA H 31 4.680 4.797 -0.117 1
1 310 . 14 1 1 A 31 31 ILE CB C 31 40.845 41.306 -0.461 1
1 323 . 14 1 1 A 31 31 ILE C C 31 175.776 176.868 -1.092 1
1 324 . 14 1 1 A 32 32 GLN N N 32 119.444 121.420 -1.976 1
1 325 . 14 1 1 A 32 32 GLN H H 32 8.668 8.653 0.015 1
1 326 . 14 1 1 A 32 32 GLN CA C 32 57.277 58.306 -1.029 1
1 327 . 14 1 1 A 32 32 GLN HA H 32 4.302 4.241 0.061 1
1 328 . 14 1 1 A 32 32 GLN CB C 32 30.079 29.514 0.565 1
1 337 . 14 1 1 A 32 32 GLN C C 32 175.824 175.967 -0.143 1
1 338 . 14 1 1 A 33 33 ASP N N 33 113.908 115.161 -1.253 1
1 339 . 14 1 1 A 33 33 ASP H H 33 7.684 8.158 -0.474 1
1 340 . 14 1 1 A 33 33 ASP CA C 33 53.441 53.001 0.440 1
1 341 . 14 1 1 A 33 33 ASP HA H 33 4.754 4.996 -0.242 1
1 342 . 14 1 1 A 33 33 ASP CB C 33 43.727 42.700 1.027 1
1 345 . 14 1 1 A 33 33 ASP C C 33 175.824 176.100 -0.276 1
1 346 . 14 1 1 A 34 34 VAL N N 34 114.196 117.324 -3.128 1
1 347 . 14 1 1 A 34 34 VAL H H 34 8.640 8.787 -0.147 1
1 348 . 14 1 1 A 34 34 VAL CA C 34 64.836 65.028 -0.192 1
1 349 . 14 1 1 A 34 34 VAL HA H 34 3.910 3.790 0.120 1
1 350 . 14 1 1 A 34 34 VAL CB C 34 31.539 31.472 0.067 1
1 360 . 14 1 1 A 34 34 VAL C C 34 177.669 177.659 0.010 1
1 361 . 14 1 1 A 35 35 SER N N 35 120.001 116.589 3.412 1
1 362 . 14 1 1 A 35 35 SER H H 35 9.274 8.272 1.002 1
1 363 . 14 1 1 A 35 35 SER CA C 35 62.276 62.106 0.170 1
1 364 . 14 1 1 A 35 35 SER HA H 35 4.448 4.508 -0.060 1
1 365 . 14 1 1 A 35 35 SER CB C 35 62.255 63.180 -0.925 1
1 368 . 14 1 1 A 35 35 SER C C 35 177.305 176.416 0.889 1
1 369 . 14 1 1 A 36 36 CYS N N 36 120.840 120.783 0.057 1
1 370 . 14 1 1 A 36 36 CYS H H 36 7.894 8.211 -0.317 1
1 371 . 14 1 1 A 36 36 CYS CA C 36 62.416 63.386 -0.970 1
1 372 . 14 1 1 A 36 36 CYS HA H 36 4.310 4.284 0.026 1
1 373 . 14 1 1 A 36 36 CYS CB C 36 28.189 28.564 -0.375 1
1 376 . 14 1 1 A 36 36 CYS C C 36 177.257 176.968 0.289 1
1 377 . 14 1 1 A 37 37 ALA N N 37 122.247 122.117 0.130 1
1 378 . 14 1 1 A 37 37 ALA H H 37 7.343 8.406 -1.063 1
1 379 . 14 1 1 A 37 37 ALA CA C 37 54.145 55.450 -1.305 1
1 380 . 14 1 1 A 37 37 ALA HA H 37 3.546 3.874 -0.328 1
1 381 . 14 1 1 A 37 37 ALA CB C 37 20.009 18.183 1.826 1
1 385 . 14 1 1 A 37 37 ALA C C 37 178.883 179.926 -1.043 1
1 386 . 14 1 1 A 38 38 TRP N N 38 117.352 118.569 -1.217 1
1 387 . 14 1 1 A 38 38 TRP H H 38 7.937 8.601 -0.664 1
1 388 . 14 1 1 A 38 38 TRP CA C 38 60.600 60.045 0.555 1
1 389 . 14 1 1 A 38 38 TRP HA H 38 4.276 4.395 -0.119 1
1 390 . 14 1 1 A 38 38 TRP CB C 38 29.693 29.147 0.546 1
1 405 . 14 1 1 A 38 38 TRP C C 38 178.664 178.681 -0.017 1
1 406 . 14 1 1 A 39 39 LYS N N 39 117.638 120.273 -2.635 1
1 407 . 14 1 1 A 39 39 LYS H H 39 8.102 7.987 0.115 1
1 408 . 14 1 1 A 39 39 LYS CA C 39 60.009 60.060 -0.051 1
1 409 . 14 1 1 A 39 39 LYS HA H 39 4.031 4.009 0.022 1
1 410 . 14 1 1 A 39 39 LYS CB C 39 32.471 32.745 -0.274 1
1 421 . 14 1 1 A 39 39 LYS C C 39 178.713 179.146 -0.433 1
1 422 . 14 1 1 A 40 40 GLU N N 40 120.486 118.906 1.580 1
1 423 . 14 1 1 A 40 40 GLU H H 40 6.821 7.843 -1.022 1
1 424 . 14 1 1 A 40 40 GLU CA C 40 58.486 58.724 -0.238 1
1 425 . 14 1 1 A 40 40 GLU HA H 40 4.350 4.169 0.181 1
1 426 . 14 1 1 A 40 40 GLU CB C 40 28.459 29.351 -0.892 1
1 432 . 14 1 1 A 40 40 GLU C C 40 178.543 179.455 -0.912 1
1 433 . 14 1 1 A 41 41 LEU N N 41 119.356 120.499 -1.143 1
1 434 . 14 1 1 A 41 41 LEU H H 41 8.291 8.886 -0.595 1
1 435 . 14 1 1 A 41 41 LEU CA C 41 59.002 58.140 0.862 1
1 436 . 14 1 1 A 41 41 LEU HA H 41 3.947 4.183 -0.236 1
1 437 . 14 1 1 A 41 41 LEU CB C 41 41.914 41.258 0.656 1
1 450 . 14 1 1 A 41 41 LEU C C 41 178.106 179.551 -1.445 1
1 451 . 14 1 1 A 42 42 ASN N N 42 113.310 118.125 -4.815 1
1 452 . 14 1 1 A 42 42 ASN H H 42 8.350 8.486 -0.136 1
1 453 . 14 1 1 A 42 42 ASN CA C 42 55.623 56.296 -0.673 1
1 454 . 14 1 1 A 42 42 ASN HA H 42 4.420 4.563 -0.143 1
1 455 . 14 1 1 A 42 42 ASN CB C 42 39.318 37.979 1.339 1
1 461 . 14 1 1 A 42 42 ASN C C 42 176.820 178.440 -1.620 1
1 462 . 14 1 1 A 43 43 ARG N N 43 117.734 121.471 -3.737 1
1 463 . 14 1 1 A 43 43 ARG H H 43 7.578 7.786 -0.208 1
1 464 . 14 1 1 A 43 43 ARG CA C 43 58.301 59.527 -1.226 1
1 465 . 14 1 1 A 43 43 ARG HA H 43 4.227 4.136 0.091 1
1 466 . 14 1 1 A 43 43 ARG CB C 43 31.361 30.324 1.037 1
1 475 . 14 1 1 A 43 43 ARG C C 43 178.106 178.588 -0.482 1
1 476 . 14 1 1 A 44 44 LYS N N 44 115.502 118.416 -2.914 1
1 477 . 14 1 1 A 44 44 LYS H H 44 7.365 7.898 -0.533 1
1 478 . 14 1 1 A 44 44 LYS CA C 44 55.367 57.821 -2.454 1
1 479 . 14 1 1 A 44 44 LYS HA H 44 4.280 4.223 0.057 1
1 480 . 14 1 1 A 44 44 LYS CB C 44 34.289 32.829 1.460 1
1 491 . 14 1 1 A 44 44 LYS C C 44 176.504 176.423 0.081 1
1 492 . 14 1 1 A 45 45 LEU N N 45 118.486 119.177 -0.691 1
1 493 . 14 1 1 A 45 45 LEU H H 45 7.977 7.779 0.198 1
1 494 . 14 1 1 A 45 45 LEU CA C 45 53.335 53.276 0.059 1
1 495 . 14 1 1 A 45 45 LEU HA H 45 4.882 4.836 0.046 1
1 496 . 14 1 1 A 45 45 LEU CB C 45 45.307 44.227 1.080 1
1 509 . 14 1 1 A 45 45 LEU C C 45 176.771 176.311 0.460 1
1 510 . 14 1 1 A 46 46 SER N N 46 116.809 117.465 -0.656 1
1 511 . 14 1 1 A 46 46 SER H H 46 9.074 9.038 0.036 1
1 512 . 14 1 1 A 46 46 SER CA C 46 57.981 58.021 -0.040 1
1 513 . 14 1 1 A 46 46 SER HA H 46 4.407 4.591 -0.184 1
1 514 . 14 1 1 A 46 46 SER CB C 46 64.496 64.325 0.171 1
1 517 . 14 1 1 A 46 46 SER C C 46 175.387 175.695 -0.308 1
1 518 . 14 1 1 A 47 47 SER N N 47 117.511 119.615 -2.104 1
1 519 . 14 1 1 A 47 47 SER H H 47 8.955 9.055 -0.100 1
1 520 . 14 1 1 A 47 47 SER CA C 47 61.523 62.025 -0.502 1
1 521 . 14 1 1 A 47 47 SER HA H 47 4.197 4.121 0.076 1
1 522 . 14 1 1 A 47 47 SER CB C 47 62.412 63.063 -0.651 1
1 525 . 14 1 1 A 48 48 ASN H H 48 8.475 8.203 0.272 1
1 526 . 14 1 1 A 48 48 ASN CA C 48 56.327 56.069 0.258 1
1 527 . 14 1 1 A 48 48 ASN HA H 48 4.421 4.474 -0.053 1
1 528 . 14 1 1 A 48 48 ASN CB C 48 38.635 37.992 0.643 1
1 534 . 14 1 1 A 48 48 ASN C C 48 177.232 177.631 -0.399 1
1 535 . 14 1 1 A 49 49 ALA N N 49 123.504 122.592 0.912 1
1 536 . 14 1 1 A 49 49 ALA H H 49 7.837 8.034 -0.197 1
1 537 . 14 1 1 A 49 49 ALA CA C 49 55.271 55.361 -0.090 1
1 538 . 14 1 1 A 49 49 ALA HA H 49 4.171 4.043 0.128 1
1 539 . 14 1 1 A 49 49 ALA CB C 49 19.301 18.168 1.133 1
1 543 . 14 1 1 A 49 49 ALA C C 49 179.830 180.025 -0.195 1
1 544 . 14 1 1 A 50 50 VAL N N 50 115.694 116.588 -0.894 1
1 545 . 14 1 1 A 50 50 VAL H H 50 8.069 8.273 -0.204 1
1 546 . 14 1 1 A 50 50 VAL CA C 50 65.728 64.954 0.774 1
1 547 . 14 1 1 A 50 50 VAL HA H 50 3.645 3.772 -0.127 1
1 548 . 14 1 1 A 50 50 VAL CB C 50 31.836 31.363 0.473 1
1 558 . 14 1 1 A 50 50 VAL C C 50 178.567 177.682 0.885 1
1 559 . 14 1 1 A 51 51 SER N N 51 114.048 117.703 -3.655 1
1 560 . 14 1 1 A 51 51 SER H H 51 7.849 7.921 -0.072 1
1 561 . 14 1 1 A 51 51 SER CA C 51 60.756 61.522 -0.766 1
1 562 . 14 1 1 A 51 51 SER HA H 51 4.334 4.269 0.065 1
1 563 . 14 1 1 A 51 51 SER CB C 51 63.383 63.140 0.243 1
1 565 . 14 1 1 A 51 51 SER C C 51 174.635 176.278 -1.643 1
1 566 . 14 1 1 A 52 52 GLN N N 52 118.482 118.118 0.364 1
1 567 . 14 1 1 A 52 52 GLN H H 52 7.564 7.794 -0.230 1
1 568 . 14 1 1 A 52 52 GLN CA C 52 55.306 57.401 -2.095 1
1 569 . 14 1 1 A 52 52 GLN HA H 52 4.389 4.405 -0.016 1
1 570 . 14 1 1 A 52 52 GLN CB C 52 29.217 29.202 0.015 1
1 579 . 14 1 1 A 52 52 GLN C C 52 175.315 176.856 -1.541 1
1 580 . 14 1 1 A 53 53 ILE N N 53 119.847 121.479 -1.632 1
1 581 . 14 1 1 A 53 53 ILE H H 53 7.281 7.207 0.074 1
1 582 . 14 1 1 A 53 53 ILE CA C 53 62.903 62.129 0.774 1
1 583 . 14 1 1 A 53 53 ILE HA H 53 4.417 3.865 0.552 1
1 584 . 14 1 1 A 53 53 ILE CB C 53 38.124 37.415 0.709 1
1 597 . 14 1 1 A 53 53 ILE C C 53 176.383 175.973 0.410 1
1 598 . 14 1 1 A 54 54 THR N N 54 120.582 119.298 1.284 1
1 599 . 14 1 1 A 54 54 THR H H 54 9.046 8.729 0.317 1
1 600 . 14 1 1 A 54 54 THR CA C 54 59.846 59.687 0.159 1
1 601 . 14 1 1 A 54 54 THR HA H 54 4.834 4.869 -0.035 1
1 602 . 14 1 1 A 54 54 THR CB C 54 71.904 71.828 0.076 1
1 608 . 14 1 1 A 54 54 THR C C 54 172.135 173.045 -0.910 1
1 609 . 14 1 1 A 55 55 ARG N N 55 118.375 123.486 -5.111 1
1 610 . 14 1 1 A 55 55 ARG H H 55 8.511 8.770 -0.259 1
1 611 . 14 1 1 A 55 55 ARG CA C 55 57.312 56.871 0.441 1
1 612 . 14 1 1 A 55 55 ARG HA H 55 3.782 3.794 -0.012 1
1 613 . 14 1 1 A 55 55 ARG CB C 55 28.704 27.595 1.109 1
1 622 . 14 1 1 A 55 55 ARG C C 55 174.684 174.769 -0.085 1
1 623 . 14 1 1 A 56 56 MET N N 56 118.525 117.179 1.346 1
1 624 . 14 1 1 A 56 56 MET H H 56 8.279 7.971 0.308 1
1 625 . 14 1 1 A 56 56 MET CA C 56 55.799 55.604 0.195 1
1 626 . 14 1 1 A 56 56 MET HA H 56 5.188 4.832 0.356 1
1 627 . 14 1 1 A 56 56 MET CB C 56 33.062 33.276 -0.214 1
1 637 . 14 1 1 A 56 56 MET C C 56 177.572 175.056 2.516 1
1 638 . 14 1 1 A 57 57 CYS N N 57 126.541 126.711 -0.170 1
1 639 . 14 1 1 A 57 57 CYS H H 57 9.340 8.766 0.574 1
1 640 . 14 1 1 A 57 57 CYS CA C 57 57.171 57.524 -0.353 1
1 641 . 14 1 1 A 57 57 CYS HA H 57 4.794 5.215 -0.421 1
1 642 . 14 1 1 A 57 57 CYS CB C 57 31.161 32.575 -1.414 1
1 645 . 14 1 1 A 57 57 CYS C C 57 173.057 173.618 -0.561 1
1 646 . 14 1 1 A 58 58 LEU N N 58 123.786 123.849 -0.063 1
1 647 . 14 1 1 A 58 58 LEU H H 58 8.682 8.573 0.109 1
1 648 . 14 1 1 A 58 58 LEU CA C 58 55.975 53.962 2.013 1
1 649 . 14 1 1 A 58 58 LEU HA H 58 4.520 4.751 -0.231 1
1 650 . 14 1 1 A 58 58 LEU CB C 58 43.097 42.667 0.430 1
1 663 . 14 1 1 A 58 58 LEU C C 58 177.960 176.947 1.013 1
1 664 . 14 1 1 A 59 59 LEU N N 59 124.007 124.174 -0.167 1
1 665 . 14 1 1 A 59 59 LEU H H 59 8.269 8.640 -0.371 1
1 666 . 14 1 1 A 59 59 LEU CA C 59 54.156 53.610 0.546 1
1 667 . 14 1 1 A 59 59 LEU HA H 59 4.261 4.725 -0.464 1
1 668 . 14 1 1 A 59 59 LEU CB C 59 42.986 42.729 0.257 1
1 681 . 14 1 1 A 59 59 LEU C C 59 177.645 177.327 0.318 1
1 682 . 14 1 1 A 60 60 LYS N N 60 122.593 122.048 0.545 1
1 683 . 14 1 1 A 60 60 LYS H H 60 8.458 8.651 -0.193 1
1 684 . 14 1 1 A 60 60 LYS CA C 60 58.263 58.536 -0.273 1
1 685 . 14 1 1 A 60 60 LYS HA H 60 4.101 3.882 0.219 1
1 686 . 14 1 1 A 60 60 LYS CB C 60 31.732 31.924 -0.192 1
1 696 . 14 1 1 A 60 60 LYS C C 60 178.422 177.378 1.044 1
1 697 . 14 1 1 A 61 61 GLY H H 61 9.070 8.798 0.272 1
1 698 . 14 1 1 A 61 61 GLY CA C 61 45.355 45.489 -0.134 1
1 699 . 14 1 1 A 61 61 GLY HA2 H 61 3.641 3.977 -0.336 1
1 700 . 14 1 1 A 61 61 GLY HA3 H 61 4.223 3.979 0.244 1
1 701 . 14 1 1 A 61 61 GLY C C 61 173.907 174.683 -0.776 1
1 702 . 14 1 1 A 62 62 ASN N N 62 112.617 112.240 0.377 1
1 703 . 14 1 1 A 62 62 ASN H H 62 8.639 8.408 0.231 1
1 704 . 14 1 1 A 62 62 ASN CA C 62 55.115 54.752 0.363 1
1 705 . 14 1 1 A 62 62 ASN HA H 62 4.208 4.426 -0.218 1
1 706 . 14 1 1 A 62 62 ASN CB C 62 36.133 37.287 -1.154 1
1 712 . 14 1 1 A 62 62 ASN C C 62 173.810 175.126 -1.316 1
1 713 . 14 1 1 A 63 63 MET N N 63 114.254 117.595 -3.341 1
1 714 . 14 1 1 A 63 63 MET H H 63 7.967 8.121 -0.154 1
1 715 . 14 1 1 A 63 63 MET CA C 63 53.229 57.199 -3.970 1
1 716 . 14 1 1 A 63 63 MET HA H 63 4.908 4.255 0.653 1
1 717 . 14 1 1 A 63 63 MET CB C 63 29.363 32.246 -2.883 1
1 727 . 14 1 1 A 63 63 MET C C 63 175.436 176.152 -0.716 1
1 728 . 14 1 1 A 64 64 GLY N N 64 102.826 104.385 -1.559 1
1 729 . 14 1 1 A 64 64 GLY H H 64 7.039 7.488 -0.449 1
1 730 . 14 1 1 A 64 64 GLY CA C 64 45.381 45.377 0.004 1
1 731 . 14 1 1 A 64 64 GLY HA2 H 64 4.902 4.012 0.890 1
1 732 . 14 1 1 A 64 64 GLY HA3 H 64 4.026 4.087 -0.061 1
1 733 . 14 1 1 A 64 64 GLY C C 64 171.868 171.593 0.275 1
1 734 . 14 1 1 A 65 65 VAL N N 65 110.602 115.658 -5.056 1
1 735 . 14 1 1 A 65 65 VAL H H 65 8.994 8.700 0.294 1
1 736 . 14 1 1 A 65 65 VAL CA C 65 58.892 58.974 -0.082 1
1 737 . 14 1 1 A 65 65 VAL HA H 65 5.511 5.145 0.366 1
1 738 . 14 1 1 A 65 65 VAL CB C 65 36.392 35.841 0.551 1
1 748 . 14 1 1 A 65 65 VAL C C 65 174.319 174.309 0.010 1
1 749 . 14 1 1 A 66 66 CYS N N 66 115.721 121.271 -5.550 1
1 750 . 14 1 1 A 66 66 CYS H H 66 9.175 8.811 0.364 1
1 751 . 14 1 1 A 66 66 CYS CA C 66 54.912 56.253 -1.341 1
1 752 . 14 1 1 A 66 66 CYS HA H 66 5.590 5.382 0.208 1
1 753 . 14 1 1 A 66 66 CYS CB C 66 31.672 32.249 -0.577 1
1 756 . 14 1 1 A 66 66 CYS C C 66 171.941 173.216 -1.275 1
1 757 . 14 1 1 A 67 67 PHE N N 67 114.941 117.515 -2.574 1
1 758 . 14 1 1 A 67 67 PHE H H 67 8.220 8.346 -0.126 1
1 759 . 14 1 1 A 67 67 PHE CA C 67 56.468 56.251 0.217 1
1 760 . 14 1 1 A 67 67 PHE HA H 67 4.879 5.225 -0.346 1
1 761 . 14 1 1 A 67 67 PHE CB C 67 39.366 40.753 -1.387 1
1 774 . 14 1 1 A 67 67 PHE C C 67 171.552 172.024 -0.472 1
1 775 . 14 1 1 A 68 68 ASP N N 68 119.507 119.616 -0.109 1
1 776 . 14 1 1 A 68 68 ASP H H 68 9.072 8.945 0.127 1
1 777 . 14 1 1 A 68 68 ASP CA C 68 52.737 52.920 -0.183 1
1 778 . 14 1 1 A 68 68 ASP HA H 68 5.901 5.873 0.028 1
1 779 . 14 1 1 A 68 68 ASP CB C 68 42.545 44.374 -1.829 1
1 782 . 14 1 1 A 68 68 ASP C C 68 176.116 175.150 0.966 1
1 783 . 14 1 1 A 69 69 VAL N N 69 114.937 117.427 -2.490 1
1 784 . 14 1 1 A 69 69 VAL H H 69 8.819 9.120 -0.301 1
1 785 . 14 1 1 A 69 69 VAL CA C 69 58.051 58.288 -0.237 1
1 786 . 14 1 1 A 69 69 VAL HA H 69 5.205 4.910 0.295 1
1 787 . 14 1 1 A 69 69 VAL CB C 69 35.698 35.352 0.346 1
1 797 . 14 1 1 A 69 69 VAL C C 69 173.154 172.906 0.248 1
1 798 . 14 1 1 A 70 70 PRO CA C 70 62.946 62.216 0.730 1
1 799 . 14 1 1 A 70 70 PRO HA H 70 4.479 3.512 0.967 1
1 800 . 14 1 1 A 70 70 PRO CB C 70 32.255 32.113 0.142 1
1 809 . 14 1 1 A 70 70 PRO C C 70 178.737 177.415 1.322 1
1 810 . 14 1 1 A 71 71 THR N N 71 119.743 117.384 2.359 1
1 811 . 14 1 1 A 71 71 THR H H 71 8.401 8.371 0.030 1
1 812 . 14 1 1 A 71 71 THR CA C 71 66.415 65.233 1.182 1
1 813 . 14 1 1 A 71 71 THR HA H 71 3.761 3.842 -0.081 1
1 814 . 14 1 1 A 71 71 THR CB C 71 68.476 68.211 0.265 1
1 820 . 14 1 1 A 71 71 THR C C 71 176.965 175.807 1.158 1
1 821 . 14 1 1 A 72 72 THR N N 72 109.724 113.644 -3.920 1
1 822 . 14 1 1 A 72 72 THR H H 72 7.747 8.054 -0.307 1
1 823 . 14 1 1 A 72 72 THR CA C 72 64.100 65.757 -1.657 1
1 824 . 14 1 1 A 72 72 THR HA H 72 4.120 3.977 0.143 1
1 825 . 14 1 1 A 72 72 THR CB C 72 68.471 68.274 0.197 1
1 831 . 14 1 1 A 72 72 THR C C 72 175.849 176.820 -0.971 1
1 832 . 14 1 1 A 73 73 GLU N N 73 118.626 121.803 -3.177 1
1 833 . 14 1 1 A 73 73 GLU H H 73 7.767 7.648 0.119 1
1 834 . 14 1 1 A 73 73 GLU CA C 73 55.623 59.069 -3.446 1
1 835 . 14 1 1 A 73 73 GLU HA H 73 4.587 4.150 0.437 1
1 836 . 14 1 1 A 73 73 GLU CB C 73 30.542 29.037 1.505 1
1 842 . 14 1 1 A 73 73 GLU C C 73 177.257 178.924 -1.667 1
1 843 . 14 1 1 A 74 74 SER N N 74 114.932 117.648 -2.716 1
1 844 . 14 1 1 A 74 74 SER H H 74 7.442 7.587 -0.145 1
1 845 . 14 1 1 A 74 74 SER CA C 74 62.099 61.667 0.432 1
1 846 . 14 1 1 A 74 74 SER HA H 74 3.938 4.082 -0.144 1
1 847 . 14 1 1 A 74 74 SER CB C 74 63.067 62.872 0.195 1
1 850 . 14 1 1 A 74 74 SER C C 74 176.528 176.784 -0.256 1
1 851 . 14 1 1 A 75 75 GLU N N 75 120.907 121.571 -0.664 1
1 852 . 14 1 1 A 75 75 GLU H H 75 8.350 7.824 0.526 1
1 853 . 14 1 1 A 75 75 GLU CA C 75 59.706 59.154 0.552 1
1 854 . 14 1 1 A 75 75 GLU HA H 75 4.045 4.085 -0.040 1
1 855 . 14 1 1 A 75 75 GLU CB C 75 29.085 29.177 -0.092 1
1 861 . 14 1 1 A 75 75 GLU C C 75 179.320 179.408 -0.088 1
1 862 . 14 1 1 A 76 76 ARG N N 76 121.343 120.008 1.335 1
1 863 . 14 1 1 A 76 76 ARG H H 76 7.948 7.622 0.326 1
1 864 . 14 1 1 A 76 76 ARG CA C 76 59.188 59.268 -0.080 1
1 865 . 14 1 1 A 76 76 ARG HA H 76 4.094 4.117 -0.023 1
1 866 . 14 1 1 A 76 76 ARG CB C 76 29.726 30.655 -0.929 1
1 875 . 14 1 1 A 76 76 ARG C C 76 178.373 178.467 -0.094 1
1 876 . 14 1 1 A 77 77 LEU N N 77 120.110 120.239 -0.129 1
1 877 . 14 1 1 A 77 77 LEU H H 77 8.029 8.611 -0.582 1
1 878 . 14 1 1 A 77 77 LEU CA C 77 59.809 58.079 1.730 1
1 879 . 14 1 1 A 77 77 LEU HA H 77 3.975 4.033 -0.058 1
1 880 . 14 1 1 A 77 77 LEU CB C 77 42.216 41.682 0.534 1
1 893 . 14 1 1 A 77 77 LEU C C 77 178.810 179.522 -0.712 1
1 894 . 14 1 1 A 78 78 GLN N N 78 114.090 118.085 -3.995 1
1 895 . 14 1 1 A 78 78 GLN H H 78 7.680 8.031 -0.351 1
1 896 . 14 1 1 A 78 78 GLN CA C 78 59.600 58.871 0.729 1
1 897 . 14 1 1 A 78 78 GLN HA H 78 3.915 4.170 -0.255 1
1 898 . 14 1 1 A 78 78 GLN CB C 78 30.101 28.197 1.904 1
1 907 . 14 1 1 A 78 78 GLN C C 78 178.325 178.372 -0.047 1
1 908 . 14 1 1 A 79 79 ALA N N 79 119.863 122.383 -2.520 1
1 909 . 14 1 1 A 79 79 ALA H H 79 7.900 8.075 -0.175 1
1 910 . 14 1 1 A 79 79 ALA CA C 79 54.321 54.865 -0.544 1
1 911 . 14 1 1 A 79 79 ALA HA H 79 4.255 4.260 -0.005 1
1 912 . 14 1 1 A 79 79 ALA CB C 79 18.596 18.420 0.176 1
1 916 . 14 1 1 A 79 79 ALA C C 79 179.514 179.559 -0.045 1
1 917 . 14 1 1 A 80 80 GLU N N 80 115.847 117.044 -1.197 1
1 918 . 14 1 1 A 80 80 GLU H H 80 7.773 8.217 -0.444 1
1 919 . 14 1 1 A 80 80 GLU CA C 80 57.312 58.421 -1.109 1
1 920 . 14 1 1 A 80 80 GLU HA H 80 4.286 4.302 -0.016 1
1 921 . 14 1 1 A 80 80 GLU CB C 80 31.095 30.001 1.094 1
1 927 . 14 1 1 A 80 80 GLU C C 80 176.965 177.536 -0.571 1
1 928 . 14 1 1 A 81 81 TRP N N 81 122.132 122.974 -0.842 1
1 929 . 14 1 1 A 81 81 TRP H H 81 7.661 7.794 -0.133 1
1 930 . 14 1 1 A 81 81 TRP CA C 81 58.641 56.894 1.747 1
1 931 . 14 1 1 A 81 81 TRP HA H 81 4.261 4.740 -0.479 1
1 932 . 14 1 1 A 81 81 TRP CB C 81 29.118 29.246 -0.128 1
1 947 . 14 1 1 A 81 81 TRP C C 81 174.611 175.675 -1.064 1
1 948 . 14 1 1 A 82 82 HIS CA C 82 54.101 55.818 -1.717 1
1 949 . 14 1 1 A 82 82 HIS HA H 82 4.727 4.613 0.114 1
1 950 . 14 1 1 A 82 82 HIS CB C 82 30.847 32.586 -1.739 1
1 957 . 14 1 1 A 83 83 ASP CA C 83 54.997 54.702 0.295 1
1 958 . 14 1 1 A 83 83 ASP HA H 83 4.342 3.910 0.432 1
1 959 . 14 1 1 A 83 83 ASP CB C 83 40.395 39.588 0.807 1
1 962 . 14 1 1 A 83 83 ASP C C 83 174.198 174.537 -0.339 1
1 963 . 14 1 1 A 84 84 SER N N 84 111.986 110.234 1.752 1
1 964 . 14 1 1 A 84 84 SER H H 84 7.863 7.355 0.508 1
1 965 . 14 1 1 A 84 84 SER CA C 84 56.714 56.155 0.559 1
1 966 . 14 1 1 A 84 84 SER HA H 84 4.584 4.699 -0.115 1
1 967 . 14 1 1 A 84 84 SER CB C 84 64.374 65.720 -1.346 1
1 970 . 14 1 1 A 84 84 SER C C 84 174.489 173.838 0.651 1
1 971 . 14 1 1 A 85 85 ASP N N 85 125.547 122.756 2.791 1
1 972 . 14 1 1 A 85 85 ASP H H 85 9.268 8.554 0.714 1
1 973 . 14 1 1 A 85 85 ASP CA C 85 55.447 56.471 -1.024 1
1 974 . 14 1 1 A 85 85 ASP HA H 85 4.704 4.615 0.089 1
1 975 . 14 1 1 A 85 85 ASP CB C 85 40.980 41.185 -0.205 1
1 978 . 14 1 1 A 85 85 ASP C C 85 177.038 177.084 -0.046 1
1 979 . 14 1 1 A 86 86 TRP N N 86 121.831 119.700 2.131 1
1 980 . 14 1 1 A 86 86 TRP H H 86 9.345 8.123 1.222 1
1 981 . 14 1 1 A 86 86 TRP CA C 86 56.967 58.267 -1.300 1
1 982 . 14 1 1 A 86 86 TRP HA H 86 5.091 4.955 0.136 1
1 983 . 14 1 1 A 86 86 TRP CB C 86 29.118 30.744 -1.626 1
1 998 . 14 1 1 A 86 86 TRP C C 86 176.723 177.045 -0.322 1
1 999 . 14 1 1 A 87 87 ILE N N 87 123.116 123.388 -0.272 1
1 1000 . 14 1 1 A 87 87 ILE H H 87 8.965 8.723 0.242 1
1 1001 . 14 1 1 A 87 87 ILE CA C 87 60.595 60.641 -0.046 1
1 1002 . 14 1 1 A 87 87 ILE HA H 87 4.462 4.610 -0.148 1
1 1003 . 14 1 1 A 87 87 ILE CB C 87 40.354 38.895 1.459 1
1 1016 . 14 1 1 A 87 87 ILE C C 87 175.824 174.618 1.206 1
1 1017 . 14 1 1 A 88 88 LEU N N 88 134.475 130.792 3.683 1
1 1018 . 14 1 1 A 88 88 LEU H H 88 8.736 9.191 -0.455 1
1 1019 . 14 1 1 A 88 88 LEU CA C 88 53.763 53.488 0.275 1
1 1020 . 14 1 1 A 88 88 LEU HA H 88 5.163 5.102 0.061 1
1 1021 . 14 1 1 A 88 88 LEU CB C 88 43.020 44.219 -1.199 1
1 1034 . 14 1 1 A 88 88 LEU C C 88 175.824 175.239 0.585 1
1 1035 . 14 1 1 A 89 89 SER N N 89 122.016 119.434 2.582 1
1 1036 . 14 1 1 A 89 89 SER H H 89 9.152 8.353 0.799 1
1 1037 . 14 1 1 A 89 89 SER CA C 89 57.242 56.448 0.794 1
1 1038 . 14 1 1 A 89 89 SER HA H 89 4.739 5.177 -0.438 1
1 1039 . 14 1 1 A 89 89 SER CB C 89 65.526 66.408 -0.882 1
1 1042 . 14 1 1 A 89 89 SER C C 89 171.989 171.986 0.003 1
1 1043 . 14 1 1 A 90 90 VAL N N 90 119.844 120.872 -1.028 1
1 1044 . 14 1 1 A 90 90 VAL H H 90 8.220 8.972 -0.752 1
1 1045 . 14 1 1 A 90 90 VAL CA C 90 59.143 58.624 0.519 1
1 1046 . 14 1 1 A 90 90 VAL HA H 90 4.604 4.691 -0.087 1
1 1047 . 14 1 1 A 90 90 VAL CB C 90 33.056 33.532 -0.476 1
1 1057 . 14 1 1 A 90 90 VAL C C 90 174.198 175.230 -1.032 1
1 1058 . 14 1 1 A 91 91 PRO CA C 91 63.467 62.402 1.065 1
1 1059 . 14 1 1 A 91 91 PRO HA H 91 4.329 4.684 -0.355 1
1 1060 . 14 1 1 A 91 91 PRO CB C 91 32.003 32.466 -0.463 1
1 1069 . 14 1 1 A 91 91 PRO C C 91 175.557 176.907 -1.350 1
1 1 . 15 1 1 A 6 6 SER CA C 6 58.720 56.947 1.773 1
1 2 . 15 1 1 A 6 6 SER HA H 6 4.456 4.993 -0.537 1
1 3 . 15 1 1 A 6 6 SER CB C 6 63.880 63.715 0.165 1
1 6 . 15 1 1 A 6 6 SER C C 6 174.951 173.357 1.594 1
1 7 . 15 1 1 A 7 7 GLY N N 7 110.558 111.516 -0.958 1
1 8 . 15 1 1 A 7 7 GLY H H 7 8.377 8.376 0.001 1
1 9 . 15 1 1 A 7 7 GLY CA C 7 45.205 45.830 -0.625 1
1 10 . 15 1 1 A 7 7 GLY HA2 H 7 3.879 4.211 -0.332 1
1 11 . 15 1 1 A 7 7 GLY HA3 H 7 3.910 4.258 -0.348 1
1 12 . 15 1 1 A 7 7 GLY C C 7 173.615 172.382 1.233 1
1 13 . 15 1 1 A 8 8 PHE N N 8 119.857 114.566 5.291 1
1 14 . 15 1 1 A 8 8 PHE H H 8 8.062 8.628 -0.566 1
1 15 . 15 1 1 A 8 8 PHE CA C 8 57.418 55.494 1.924 1
1 16 . 15 1 1 A 8 8 PHE HA H 8 4.624 5.680 -1.056 1
1 17 . 15 1 1 A 8 8 PHE CB C 8 39.749 43.065 -3.316 1
1 30 . 15 1 1 A 8 8 PHE C C 8 175.242 173.399 1.843 1
1 31 . 15 1 1 A 9 9 GLU N N 9 124.807 120.475 4.332 1
1 32 . 15 1 1 A 9 9 GLU H H 9 8.311 8.739 -0.428 1
1 33 . 15 1 1 A 9 9 GLU CA C 9 54.034 53.274 0.760 1
1 34 . 15 1 1 A 9 9 GLU HA H 9 4.546 4.867 -0.321 1
1 35 . 15 1 1 A 9 9 GLU CB C 9 29.859 31.988 -2.129 1
1 40 . 15 1 1 A 9 9 GLU C C 9 174.125 173.727 0.398 1
1 41 . 15 1 1 A 10 10 PRO CA C 10 63.366 62.880 0.486 1
1 42 . 15 1 1 A 10 10 PRO HA H 10 4.334 4.705 -0.371 1
1 43 . 15 1 1 A 10 10 PRO CB C 10 32.033 32.607 -0.574 1
1 52 . 15 1 1 A 10 10 PRO C C 10 177.062 175.358 1.704 1
1 53 . 15 1 1 A 11 11 ARG N N 11 120.726 124.733 -4.007 1
1 54 . 15 1 1 A 11 11 ARG H H 11 8.477 8.992 -0.515 1
1 55 . 15 1 1 A 11 11 ARG CA C 11 56.175 55.175 1.000 1
1 56 . 15 1 1 A 11 11 ARG HA H 11 4.318 4.590 -0.272 1
1 57 . 15 1 1 A 11 11 ARG CB C 11 30.831 30.810 0.021 1
1 66 . 15 1 1 A 11 11 ARG C C 11 176.455 174.686 1.769 1
1 67 . 15 1 1 A 12 12 SER N N 12 116.599 123.052 -6.453 1
1 68 . 15 1 1 A 12 12 SER H H 12 8.289 8.966 -0.677 1
1 69 . 15 1 1 A 12 12 SER CA C 12 58.330 58.381 -0.051 1
1 70 . 15 1 1 A 12 12 SER HA H 12 4.396 4.630 -0.234 1
1 71 . 15 1 1 A 12 12 SER CB C 12 63.633 62.839 0.794 1
1 74 . 15 1 1 A 12 12 SER C C 12 174.465 173.482 0.983 1
1 75 . 15 1 1 A 13 13 LEU N N 13 124.186 128.833 -4.647 1
1 76 . 15 1 1 A 13 13 LEU H H 13 8.275 8.606 -0.331 1
1 77 . 15 1 1 A 13 13 LEU CA C 13 55.306 53.706 1.600 1
1 78 . 15 1 1 A 13 13 LEU HA H 13 4.361 5.051 -0.690 1
1 79 . 15 1 1 A 13 13 LEU CB C 13 42.350 46.026 -3.676 1
1 92 . 15 1 1 A 13 13 LEU C C 13 177.184 175.646 1.538 1
1 93 . 15 1 1 A 14 14 ILE N N 14 121.445 122.438 -0.993 1
1 94 . 15 1 1 A 14 14 ILE H H 14 8.106 8.918 -0.812 1
1 95 . 15 1 1 A 14 14 ILE CA C 14 61.248 61.405 -0.157 1
1 96 . 15 1 1 A 14 14 ILE HA H 14 4.202 4.220 -0.018 1
1 97 . 15 1 1 A 14 14 ILE CB C 14 38.555 36.914 1.641 1
1 110 . 15 1 1 A 14 14 ILE C C 14 176.528 176.512 0.016 1
1 111 . 15 1 1 A 15 15 THR N N 15 118.053 118.940 -0.887 1
1 112 . 15 1 1 A 15 15 THR H H 15 8.226 8.187 0.039 1
1 113 . 15 1 1 A 15 15 THR CA C 15 61.573 61.427 0.146 1
1 114 . 15 1 1 A 15 15 THR HA H 15 4.401 4.478 -0.077 1
1 115 . 15 1 1 A 15 15 THR CB C 15 69.795 69.737 0.058 1
1 121 . 15 1 1 A 15 15 THR C C 15 174.538 175.089 -0.551 1
1 122 . 15 1 1 A 16 16 SER N N 16 117.877 119.852 -1.975 1
1 123 . 15 1 1 A 16 16 SER H H 16 8.272 7.871 0.401 1
1 124 . 15 1 1 A 16 16 SER CA C 16 55.830 58.218 -2.388 1
1 125 . 15 1 1 A 16 16 SER HA H 16 4.448 4.274 0.174 1
1 126 . 15 1 1 A 16 16 SER CB C 16 63.880 63.867 0.013 1
1 129 . 15 1 1 A 16 16 SER C C 16 174.247 173.665 0.582 1
1 130 . 15 1 1 A 17 17 ASP N N 17 122.892 121.134 1.758 1
1 131 . 15 1 1 A 17 17 ASP H H 17 8.425 8.731 -0.306 1
1 132 . 15 1 1 A 17 17 ASP CA C 17 54.461 53.971 0.490 1
1 133 . 15 1 1 A 17 17 ASP HA H 17 4.611 4.847 -0.236 1
1 134 . 15 1 1 A 17 17 ASP CB C 17 41.340 42.830 -1.490 1
1 137 . 15 1 1 A 17 17 ASP C C 17 176.358 175.782 0.576 1
1 138 . 15 1 1 A 18 18 LYS N N 18 121.459 115.861 5.598 1
1 139 . 15 1 1 A 18 18 LYS H H 18 8.349 8.027 0.322 1
1 140 . 15 1 1 A 18 18 LYS CA C 18 56.526 57.598 -1.072 1
1 141 . 15 1 1 A 18 18 LYS HA H 18 4.356 3.909 0.447 1
1 142 . 15 1 1 A 18 18 LYS CB C 18 32.744 29.482 3.262 1
1 152 . 15 1 1 A 18 18 LYS C C 18 177.305 175.863 1.442 1
1 153 . 15 1 1 A 19 19 GLY N N 19 109.072 106.503 2.569 1
1 154 . 15 1 1 A 19 19 GLY H H 19 8.533 8.266 0.267 1
1 155 . 15 1 1 A 19 19 GLY CA C 19 45.451 46.217 -0.766 1
1 156 . 15 1 1 A 19 19 GLY HA2 H 19 3.884 4.184 -0.300 1
1 157 . 15 1 1 A 19 19 GLY HA3 H 19 3.960 4.295 -0.335 1
1 158 . 15 1 1 A 19 19 GLY C C 19 174.028 173.644 0.384 1
1 159 . 15 1 1 A 20 20 PHE N N 20 119.395 116.615 2.780 1
1 160 . 15 1 1 A 20 20 PHE H H 20 8.014 8.435 -0.421 1
1 161 . 15 1 1 A 20 20 PHE CA C 20 56.992 56.578 0.414 1
1 162 . 15 1 1 A 20 20 PHE HA H 20 5.166 5.158 0.008 1
1 163 . 15 1 1 A 20 20 PHE CB C 20 43.122 43.221 -0.099 1
1 176 . 15 1 1 A 20 20 PHE C C 20 174.247 174.217 0.030 1
1 177 . 15 1 1 A 21 21 VAL N N 21 119.613 118.456 1.157 1
1 178 . 15 1 1 A 21 21 VAL H H 21 9.282 9.153 0.129 1
1 179 . 15 1 1 A 21 21 VAL CA C 21 60.286 60.218 0.068 1
1 180 . 15 1 1 A 21 21 VAL HA H 21 4.403 4.975 -0.572 1
1 181 . 15 1 1 A 21 21 VAL CB C 21 35.624 34.918 0.706 1
1 191 . 15 1 1 A 21 21 VAL C C 21 174.077 174.164 -0.087 1
1 192 . 15 1 1 A 22 22 THR N N 22 123.150 124.347 -1.197 1
1 193 . 15 1 1 A 22 22 THR H H 22 8.226 8.676 -0.450 1
1 194 . 15 1 1 A 22 22 THR CA C 22 61.672 62.345 -0.673 1
1 195 . 15 1 1 A 22 22 THR HA H 22 5.214 4.662 0.552 1
1 196 . 15 1 1 A 22 22 THR CB C 22 69.636 69.717 -0.081 1
1 202 . 15 1 1 A 22 22 THR C C 22 174.319 174.012 0.307 1
1 203 . 15 1 1 A 23 23 MET N N 23 125.701 123.563 2.138 1
1 204 . 15 1 1 A 23 23 MET H H 23 9.254 8.767 0.487 1
1 205 . 15 1 1 A 23 23 MET CA C 23 54.250 53.560 0.690 1
1 206 . 15 1 1 A 23 23 MET HA H 23 4.680 5.150 -0.470 1
1 207 . 15 1 1 A 23 23 MET CB C 23 34.967 36.228 -1.261 1
1 217 . 15 1 1 A 23 23 MET C C 23 174.028 174.484 -0.456 1
1 218 . 15 1 1 A 24 24 THR N N 24 109.251 115.234 -5.983 1
1 219 . 15 1 1 A 24 24 THR H H 24 8.410 8.217 0.193 1
1 220 . 15 1 1 A 24 24 THR CA C 24 59.952 61.204 -1.252 1
1 221 . 15 1 1 A 24 24 THR HA H 24 4.838 5.087 -0.249 1
1 222 . 15 1 1 A 24 24 THR CB C 24 71.427 72.183 -0.756 1
1 228 . 15 1 1 A 24 24 THR C C 24 172.353 172.769 -0.416 1
1 229 . 15 1 1 A 25 25 LEU N N 25 125.384 127.220 -1.836 1
1 230 . 15 1 1 A 25 25 LEU H H 25 8.901 9.009 -0.108 1
1 231 . 15 1 1 A 25 25 LEU CA C 25 53.373 54.290 -0.917 1
1 232 . 15 1 1 A 25 25 LEU HA H 25 5.333 5.080 0.253 1
1 233 . 15 1 1 A 25 25 LEU CB C 25 45.607 45.611 -0.004 1
1 246 . 15 1 1 A 25 25 LEU C C 25 175.606 174.643 0.963 1
1 247 . 15 1 1 A 26 26 GLU N N 26 125.482 126.583 -1.101 1
1 248 . 15 1 1 A 26 26 GLU H H 26 9.147 9.368 -0.221 1
1 249 . 15 1 1 A 26 26 GLU CA C 26 56.010 54.826 1.184 1
1 250 . 15 1 1 A 26 26 GLU HA H 26 4.922 5.042 -0.120 1
1 251 . 15 1 1 A 26 26 GLU CB C 26 33.588 32.695 0.893 1
1 257 . 15 1 1 A 26 26 GLU C C 26 175.387 176.694 -1.307 1
1 258 . 15 1 1 A 27 27 SER N N 27 118.827 119.859 -1.032 1
1 259 . 15 1 1 A 27 27 SER H H 27 8.432 8.543 -0.111 1
1 260 . 15 1 1 A 27 27 SER CA C 27 55.236 56.605 -1.369 1
1 261 . 15 1 1 A 27 27 SER HA H 27 3.720 4.514 -0.794 1
1 262 . 15 1 1 A 27 27 SER CB C 27 63.703 65.391 -1.688 1
1 265 . 15 1 1 A 27 27 SER C C 27 173.980 175.492 -1.512 1
1 266 . 15 1 1 A 28 28 LEU N N 28 121.319 121.203 0.116 1
1 267 . 15 1 1 A 28 28 LEU H H 28 7.990 8.204 -0.214 1
1 268 . 15 1 1 A 28 28 LEU CA C 28 55.887 56.089 -0.202 1
1 269 . 15 1 1 A 28 28 LEU HA H 28 4.071 4.221 -0.150 1
1 270 . 15 1 1 A 28 28 LEU CB C 28 42.184 42.537 -0.353 1
1 283 . 15 1 1 A 28 28 LEU C C 28 177.159 177.103 0.056 1
1 284 . 15 1 1 A 29 29 GLU N N 29 115.740 117.273 -1.533 1
1 285 . 15 1 1 A 29 29 GLU H H 29 7.458 7.541 -0.083 1
1 286 . 15 1 1 A 29 29 GLU CA C 29 53.658 54.651 -0.993 1
1 287 . 15 1 1 A 29 29 GLU HA H 29 4.444 4.646 -0.202 1
1 288 . 15 1 1 A 29 29 GLU CB C 29 33.209 34.638 -1.429 1
1 294 . 15 1 1 A 29 29 GLU C C 29 174.417 175.507 -1.090 1
1 295 . 15 1 1 A 30 30 GLU N N 30 122.052 121.799 0.253 1
1 296 . 15 1 1 A 30 30 GLU H H 30 8.500 8.416 0.084 1
1 297 . 15 1 1 A 30 30 GLU CA C 30 57.621 57.243 0.378 1
1 298 . 15 1 1 A 30 30 GLU HA H 30 4.297 4.269 0.028 1
1 299 . 15 1 1 A 30 30 GLU CB C 30 30.403 30.118 0.285 1
1 305 . 15 1 1 A 30 30 GLU C C 30 177.087 175.793 1.294 1
1 306 . 15 1 1 A 31 31 ILE N N 31 120.377 124.135 -3.758 1
1 307 . 15 1 1 A 31 31 ILE H H 31 8.828 8.310 0.518 1
1 308 . 15 1 1 A 31 31 ILE CA C 31 59.741 59.986 -0.245 1
1 309 . 15 1 1 A 31 31 ILE HA H 31 4.680 4.395 0.285 1
1 310 . 15 1 1 A 31 31 ILE CB C 31 40.845 39.914 0.931 1
1 323 . 15 1 1 A 31 31 ILE C C 31 175.776 176.555 -0.779 1
1 324 . 15 1 1 A 32 32 GLN N N 32 119.444 121.855 -2.411 1
1 325 . 15 1 1 A 32 32 GLN H H 32 8.668 8.464 0.204 1
1 326 . 15 1 1 A 32 32 GLN CA C 32 57.277 57.826 -0.549 1
1 327 . 15 1 1 A 32 32 GLN HA H 32 4.302 4.299 0.003 1
1 328 . 15 1 1 A 32 32 GLN CB C 32 30.079 29.511 0.568 1
1 337 . 15 1 1 A 32 32 GLN C C 32 175.824 174.826 0.998 1
1 338 . 15 1 1 A 33 33 ASP N N 33 113.908 117.320 -3.412 1
1 339 . 15 1 1 A 33 33 ASP H H 33 7.684 7.434 0.250 1
1 340 . 15 1 1 A 33 33 ASP CA C 33 53.441 53.215 0.226 1
1 341 . 15 1 1 A 33 33 ASP HA H 33 4.754 4.866 -0.112 1
1 342 . 15 1 1 A 33 33 ASP CB C 33 43.727 43.769 -0.042 1
1 345 . 15 1 1 A 33 33 ASP C C 33 175.824 175.913 -0.089 1
1 346 . 15 1 1 A 34 34 VAL N N 34 114.196 123.137 -8.941 1
1 347 . 15 1 1 A 34 34 VAL H H 34 8.640 8.743 -0.103 1
1 348 . 15 1 1 A 34 34 VAL CA C 34 64.836 65.181 -0.345 1
1 349 . 15 1 1 A 34 34 VAL HA H 34 3.910 3.860 0.050 1
1 350 . 15 1 1 A 34 34 VAL CB C 34 31.539 31.620 -0.081 1
1 360 . 15 1 1 A 34 34 VAL C C 34 177.669 177.587 0.082 1
1 361 . 15 1 1 A 35 35 SER N N 35 120.001 116.405 3.596 1
1 362 . 15 1 1 A 35 35 SER H H 35 9.274 8.121 1.153 1
1 363 . 15 1 1 A 35 35 SER CA C 35 62.276 62.052 0.224 1
1 364 . 15 1 1 A 35 35 SER HA H 35 4.448 4.383 0.065 1
1 365 . 15 1 1 A 35 35 SER CB C 35 62.255 63.164 -0.909 1
1 368 . 15 1 1 A 35 35 SER C C 35 177.305 176.498 0.807 1
1 369 . 15 1 1 A 36 36 CYS N N 36 120.840 120.778 0.062 1
1 370 . 15 1 1 A 36 36 CYS H H 36 7.894 8.416 -0.522 1
1 371 . 15 1 1 A 36 36 CYS CA C 36 62.416 63.028 -0.612 1
1 372 . 15 1 1 A 36 36 CYS HA H 36 4.310 4.315 -0.005 1
1 373 . 15 1 1 A 36 36 CYS CB C 36 28.189 28.382 -0.193 1
1 376 . 15 1 1 A 36 36 CYS C C 36 177.257 177.270 -0.013 1
1 377 . 15 1 1 A 37 37 ALA N N 37 122.247 122.051 0.196 1
1 378 . 15 1 1 A 37 37 ALA H H 37 7.343 8.300 -0.957 1
1 379 . 15 1 1 A 37 37 ALA CA C 37 54.145 55.055 -0.910 1
1 380 . 15 1 1 A 37 37 ALA HA H 37 3.546 3.533 0.013 1
1 381 . 15 1 1 A 37 37 ALA CB C 37 20.009 18.555 1.454 1
1 385 . 15 1 1 A 37 37 ALA C C 37 178.883 179.983 -1.100 1
1 386 . 15 1 1 A 38 38 TRP N N 38 117.352 118.362 -1.010 1
1 387 . 15 1 1 A 38 38 TRP H H 38 7.937 8.379 -0.442 1
1 388 . 15 1 1 A 38 38 TRP CA C 38 60.600 59.738 0.862 1
1 389 . 15 1 1 A 38 38 TRP HA H 38 4.276 4.328 -0.052 1
1 390 . 15 1 1 A 38 38 TRP CB C 38 29.693 29.154 0.539 1
1 405 . 15 1 1 A 38 38 TRP C C 38 178.664 179.150 -0.486 1
1 406 . 15 1 1 A 39 39 LYS N N 39 117.638 119.649 -2.011 1
1 407 . 15 1 1 A 39 39 LYS H H 39 8.102 7.966 0.136 1
1 408 . 15 1 1 A 39 39 LYS CA C 39 60.009 59.079 0.930 1
1 409 . 15 1 1 A 39 39 LYS HA H 39 4.031 4.116 -0.085 1
1 410 . 15 1 1 A 39 39 LYS CB C 39 32.471 32.407 0.064 1
1 421 . 15 1 1 A 39 39 LYS C C 39 178.713 178.406 0.307 1
1 422 . 15 1 1 A 40 40 GLU N N 40 120.486 120.524 -0.038 1
1 423 . 15 1 1 A 40 40 GLU H H 40 6.821 7.526 -0.705 1
1 424 . 15 1 1 A 40 40 GLU CA C 40 58.486 59.041 -0.555 1
1 425 . 15 1 1 A 40 40 GLU HA H 40 4.350 4.011 0.339 1
1 426 . 15 1 1 A 40 40 GLU CB C 40 28.459 29.490 -1.031 1
1 432 . 15 1 1 A 40 40 GLU C C 40 178.543 179.359 -0.816 1
1 433 . 15 1 1 A 41 41 LEU N N 41 119.356 120.171 -0.815 1
1 434 . 15 1 1 A 41 41 LEU H H 41 8.291 8.409 -0.118 1
1 435 . 15 1 1 A 41 41 LEU CA C 41 59.002 58.046 0.956 1
1 436 . 15 1 1 A 41 41 LEU HA H 41 3.947 4.078 -0.131 1
1 437 . 15 1 1 A 41 41 LEU CB C 41 41.914 41.160 0.754 1
1 450 . 15 1 1 A 41 41 LEU C C 41 178.106 179.049 -0.943 1
1 451 . 15 1 1 A 42 42 ASN N N 42 113.310 116.645 -3.335 1
1 452 . 15 1 1 A 42 42 ASN H H 42 8.350 8.264 0.086 1
1 453 . 15 1 1 A 42 42 ASN CA C 42 55.623 56.060 -0.437 1
1 454 . 15 1 1 A 42 42 ASN HA H 42 4.420 4.647 -0.227 1
1 455 . 15 1 1 A 42 42 ASN CB C 42 39.318 38.471 0.847 1
1 461 . 15 1 1 A 42 42 ASN C C 42 176.820 177.192 -0.372 1
1 462 . 15 1 1 A 43 43 ARG N N 43 117.734 119.069 -1.335 1
1 463 . 15 1 1 A 43 43 ARG H H 43 7.578 7.873 -0.295 1
1 464 . 15 1 1 A 43 43 ARG CA C 43 58.301 58.290 0.011 1
1 465 . 15 1 1 A 43 43 ARG HA H 43 4.227 4.273 -0.046 1
1 466 . 15 1 1 A 43 43 ARG CB C 43 31.361 30.923 0.438 1
1 475 . 15 1 1 A 43 43 ARG C C 43 178.106 178.318 -0.212 1
1 476 . 15 1 1 A 44 44 LYS N N 44 115.502 117.994 -2.492 1
1 477 . 15 1 1 A 44 44 LYS H H 44 7.365 7.706 -0.341 1
1 478 . 15 1 1 A 44 44 LYS CA C 44 55.367 57.933 -2.566 1
1 479 . 15 1 1 A 44 44 LYS HA H 44 4.280 4.234 0.046 1
1 480 . 15 1 1 A 44 44 LYS CB C 44 34.289 32.744 1.545 1
1 491 . 15 1 1 A 44 44 LYS C C 44 176.504 176.447 0.057 1
1 492 . 15 1 1 A 45 45 LEU N N 45 118.486 119.090 -0.604 1
1 493 . 15 1 1 A 45 45 LEU H H 45 7.977 7.820 0.157 1
1 494 . 15 1 1 A 45 45 LEU CA C 45 53.335 53.191 0.144 1
1 495 . 15 1 1 A 45 45 LEU HA H 45 4.882 4.891 -0.009 1
1 496 . 15 1 1 A 45 45 LEU CB C 45 45.307 44.598 0.709 1
1 509 . 15 1 1 A 45 45 LEU C C 45 176.771 176.625 0.146 1
1 510 . 15 1 1 A 46 46 SER N N 46 116.809 118.072 -1.263 1
1 511 . 15 1 1 A 46 46 SER H H 46 9.074 8.775 0.299 1
1 512 . 15 1 1 A 46 46 SER CA C 46 57.981 58.440 -0.459 1
1 513 . 15 1 1 A 46 46 SER HA H 46 4.407 4.539 -0.132 1
1 514 . 15 1 1 A 46 46 SER CB C 46 64.496 64.090 0.406 1
1 517 . 15 1 1 A 46 46 SER C C 46 175.387 175.605 -0.218 1
1 518 . 15 1 1 A 47 47 SER N N 47 117.511 120.105 -2.594 1
1 519 . 15 1 1 A 47 47 SER H H 47 8.955 8.931 0.024 1
1 520 . 15 1 1 A 47 47 SER CA C 47 61.523 61.960 -0.437 1
1 521 . 15 1 1 A 47 47 SER HA H 47 4.197 4.141 0.056 1
1 522 . 15 1 1 A 47 47 SER CB C 47 62.412 62.982 -0.570 1
1 525 . 15 1 1 A 48 48 ASN H H 48 8.475 8.152 0.323 1
1 526 . 15 1 1 A 48 48 ASN CA C 48 56.327 56.012 0.315 1
1 527 . 15 1 1 A 48 48 ASN HA H 48 4.421 4.448 -0.027 1
1 528 . 15 1 1 A 48 48 ASN CB C 48 38.635 38.460 0.175 1
1 534 . 15 1 1 A 48 48 ASN C C 48 177.232 177.232 0.000 1
1 535 . 15 1 1 A 49 49 ALA N N 49 123.504 121.829 1.675 1
1 536 . 15 1 1 A 49 49 ALA H H 49 7.837 7.989 -0.152 1
1 537 . 15 1 1 A 49 49 ALA CA C 49 55.271 55.216 0.055 1
1 538 . 15 1 1 A 49 49 ALA HA H 49 4.171 4.140 0.031 1
1 539 . 15 1 1 A 49 49 ALA CB C 49 19.301 18.398 0.903 1
1 543 . 15 1 1 A 49 49 ALA C C 49 179.830 179.788 0.042 1
1 544 . 15 1 1 A 50 50 VAL N N 50 115.694 117.044 -1.350 1
1 545 . 15 1 1 A 50 50 VAL H H 50 8.069 8.564 -0.495 1
1 546 . 15 1 1 A 50 50 VAL CA C 50 65.728 64.418 1.310 1
1 547 . 15 1 1 A 50 50 VAL HA H 50 3.645 3.824 -0.179 1
1 548 . 15 1 1 A 50 50 VAL CB C 50 31.836 31.537 0.299 1
1 558 . 15 1 1 A 50 50 VAL C C 50 178.567 177.480 1.087 1
1 559 . 15 1 1 A 51 51 SER N N 51 114.048 117.215 -3.167 1
1 560 . 15 1 1 A 51 51 SER H H 51 7.849 8.053 -0.204 1
1 561 . 15 1 1 A 51 51 SER CA C 51 60.756 61.046 -0.290 1
1 562 . 15 1 1 A 51 51 SER HA H 51 4.334 4.356 -0.022 1
1 563 . 15 1 1 A 51 51 SER CB C 51 63.383 63.275 0.108 1
1 565 . 15 1 1 A 51 51 SER C C 51 174.635 176.156 -1.521 1
1 566 . 15 1 1 A 52 52 GLN N N 52 118.482 118.107 0.375 1
1 567 . 15 1 1 A 52 52 GLN H H 52 7.564 8.180 -0.616 1
1 568 . 15 1 1 A 52 52 GLN CA C 52 55.306 57.516 -2.210 1
1 569 . 15 1 1 A 52 52 GLN HA H 52 4.389 4.487 -0.098 1
1 570 . 15 1 1 A 52 52 GLN CB C 52 29.217 29.034 0.183 1
1 579 . 15 1 1 A 52 52 GLN C C 52 175.315 176.664 -1.349 1
1 580 . 15 1 1 A 53 53 ILE N N 53 119.847 121.645 -1.798 1
1 581 . 15 1 1 A 53 53 ILE H H 53 7.281 7.377 -0.096 1
1 582 . 15 1 1 A 53 53 ILE CA C 53 62.903 62.272 0.631 1
1 583 . 15 1 1 A 53 53 ILE HA H 53 4.417 4.198 0.219 1
1 584 . 15 1 1 A 53 53 ILE CB C 53 38.124 38.002 0.122 1
1 597 . 15 1 1 A 53 53 ILE C C 53 176.383 175.466 0.917 1
1 598 . 15 1 1 A 54 54 THR N N 54 120.582 118.702 1.880 1
1 599 . 15 1 1 A 54 54 THR H H 54 9.046 8.838 0.208 1
1 600 . 15 1 1 A 54 54 THR CA C 54 59.846 59.714 0.132 1
1 601 . 15 1 1 A 54 54 THR HA H 54 4.834 5.039 -0.205 1
1 602 . 15 1 1 A 54 54 THR CB C 54 71.904 72.030 -0.126 1
1 608 . 15 1 1 A 54 54 THR C C 54 172.135 173.200 -1.065 1
1 609 . 15 1 1 A 55 55 ARG N N 55 118.375 123.587 -5.212 1
1 610 . 15 1 1 A 55 55 ARG H H 55 8.511 8.795 -0.284 1
1 611 . 15 1 1 A 55 55 ARG CA C 55 57.312 56.872 0.440 1
1 612 . 15 1 1 A 55 55 ARG HA H 55 3.782 3.793 -0.011 1
1 613 . 15 1 1 A 55 55 ARG CB C 55 28.704 28.177 0.527 1
1 622 . 15 1 1 A 55 55 ARG C C 55 174.684 174.821 -0.137 1
1 623 . 15 1 1 A 56 56 MET N N 56 118.525 117.040 1.485 1
1 624 . 15 1 1 A 56 56 MET H H 56 8.279 8.069 0.210 1
1 625 . 15 1 1 A 56 56 MET CA C 56 55.799 55.307 0.492 1
1 626 . 15 1 1 A 56 56 MET HA H 56 5.188 5.090 0.098 1
1 627 . 15 1 1 A 56 56 MET CB C 56 33.062 33.625 -0.563 1
1 637 . 15 1 1 A 56 56 MET C C 56 177.572 174.823 2.749 1
1 638 . 15 1 1 A 57 57 CYS N N 57 126.541 124.390 2.151 1
1 639 . 15 1 1 A 57 57 CYS H H 57 9.340 9.088 0.252 1
1 640 . 15 1 1 A 57 57 CYS CA C 57 57.171 57.607 -0.436 1
1 641 . 15 1 1 A 57 57 CYS HA H 57 4.794 5.259 -0.465 1
1 642 . 15 1 1 A 57 57 CYS CB C 57 31.161 32.941 -1.780 1
1 645 . 15 1 1 A 57 57 CYS C C 57 173.057 173.566 -0.509 1
1 646 . 15 1 1 A 58 58 LEU N N 58 123.786 123.328 0.458 1
1 647 . 15 1 1 A 58 58 LEU H H 58 8.682 8.694 -0.012 1
1 648 . 15 1 1 A 58 58 LEU CA C 58 55.975 53.892 2.083 1
1 649 . 15 1 1 A 58 58 LEU HA H 58 4.520 4.815 -0.295 1
1 650 . 15 1 1 A 58 58 LEU CB C 58 43.097 43.013 0.084 1
1 663 . 15 1 1 A 58 58 LEU C C 58 177.960 177.306 0.654 1
1 664 . 15 1 1 A 59 59 LEU N N 59 124.007 123.393 0.614 1
1 665 . 15 1 1 A 59 59 LEU H H 59 8.269 8.852 -0.583 1
1 666 . 15 1 1 A 59 59 LEU CA C 59 54.156 53.956 0.200 1
1 667 . 15 1 1 A 59 59 LEU HA H 59 4.261 4.522 -0.261 1
1 668 . 15 1 1 A 59 59 LEU CB C 59 42.986 42.254 0.732 1
1 681 . 15 1 1 A 59 59 LEU C C 59 177.645 177.113 0.532 1
1 682 . 15 1 1 A 60 60 LYS N N 60 122.593 121.402 1.191 1
1 683 . 15 1 1 A 60 60 LYS H H 60 8.458 8.622 -0.164 1
1 684 . 15 1 1 A 60 60 LYS CA C 60 58.263 58.509 -0.246 1
1 685 . 15 1 1 A 60 60 LYS HA H 60 4.101 3.866 0.235 1
1 686 . 15 1 1 A 60 60 LYS CB C 60 31.732 32.127 -0.395 1
1 696 . 15 1 1 A 60 60 LYS C C 60 178.422 177.686 0.736 1
1 697 . 15 1 1 A 61 61 GLY H H 61 9.070 8.895 0.175 1
1 698 . 15 1 1 A 61 61 GLY CA C 61 45.355 45.707 -0.352 1
1 699 . 15 1 1 A 61 61 GLY HA2 H 61 3.641 3.949 -0.308 1
1 700 . 15 1 1 A 61 61 GLY HA3 H 61 4.223 3.952 0.271 1
1 701 . 15 1 1 A 61 61 GLY C C 61 173.907 174.585 -0.678 1
1 702 . 15 1 1 A 62 62 ASN N N 62 112.617 111.701 0.916 1
1 703 . 15 1 1 A 62 62 ASN H H 62 8.639 8.362 0.277 1
1 704 . 15 1 1 A 62 62 ASN CA C 62 55.115 54.584 0.531 1
1 705 . 15 1 1 A 62 62 ASN HA H 62 4.208 4.525 -0.317 1
1 706 . 15 1 1 A 62 62 ASN CB C 62 36.133 37.175 -1.042 1
1 712 . 15 1 1 A 62 62 ASN C C 62 173.810 175.150 -1.340 1
1 713 . 15 1 1 A 63 63 MET N N 63 114.254 117.825 -3.571 1
1 714 . 15 1 1 A 63 63 MET H H 63 7.967 8.171 -0.204 1
1 715 . 15 1 1 A 63 63 MET CA C 63 53.229 55.819 -2.590 1
1 716 . 15 1 1 A 63 63 MET HA H 63 4.908 4.379 0.529 1
1 717 . 15 1 1 A 63 63 MET CB C 63 29.363 32.669 -3.306 1
1 727 . 15 1 1 A 63 63 MET C C 63 175.436 175.780 -0.344 1
1 728 . 15 1 1 A 64 64 GLY N N 64 102.826 107.376 -4.550 1
1 729 . 15 1 1 A 64 64 GLY H H 64 7.039 7.696 -0.657 1
1 730 . 15 1 1 A 64 64 GLY CA C 64 45.381 45.569 -0.188 1
1 731 . 15 1 1 A 64 64 GLY HA2 H 64 4.902 4.121 0.781 1
1 732 . 15 1 1 A 64 64 GLY HA3 H 64 4.026 4.193 -0.167 1
1 733 . 15 1 1 A 64 64 GLY C C 64 171.868 171.363 0.505 1
1 734 . 15 1 1 A 65 65 VAL N N 65 110.602 115.153 -4.551 1
1 735 . 15 1 1 A 65 65 VAL H H 65 8.994 8.717 0.277 1
1 736 . 15 1 1 A 65 65 VAL CA C 65 58.892 59.010 -0.118 1
1 737 . 15 1 1 A 65 65 VAL HA H 65 5.511 5.323 0.188 1
1 738 . 15 1 1 A 65 65 VAL CB C 65 36.392 35.783 0.609 1
1 748 . 15 1 1 A 65 65 VAL C C 65 174.319 174.307 0.012 1
1 749 . 15 1 1 A 66 66 CYS N N 66 115.721 121.042 -5.321 1
1 750 . 15 1 1 A 66 66 CYS H H 66 9.175 9.428 -0.253 1
1 751 . 15 1 1 A 66 66 CYS CA C 66 54.912 57.030 -2.118 1
1 752 . 15 1 1 A 66 66 CYS HA H 66 5.590 5.611 -0.021 1
1 753 . 15 1 1 A 66 66 CYS CB C 66 31.672 30.762 0.910 1
1 756 . 15 1 1 A 66 66 CYS C C 66 171.941 173.496 -1.555 1
1 757 . 15 1 1 A 67 67 PHE N N 67 114.941 118.253 -3.312 1
1 758 . 15 1 1 A 67 67 PHE H H 67 8.220 8.232 -0.012 1
1 759 . 15 1 1 A 67 67 PHE CA C 67 56.468 56.008 0.460 1
1 760 . 15 1 1 A 67 67 PHE HA H 67 4.879 5.371 -0.492 1
1 761 . 15 1 1 A 67 67 PHE CB C 67 39.366 40.976 -1.610 1
1 774 . 15 1 1 A 67 67 PHE C C 67 171.552 171.652 -0.100 1
1 775 . 15 1 1 A 68 68 ASP N N 68 119.507 120.023 -0.516 1
1 776 . 15 1 1 A 68 68 ASP H H 68 9.072 8.997 0.075 1
1 777 . 15 1 1 A 68 68 ASP CA C 68 52.737 52.971 -0.234 1
1 778 . 15 1 1 A 68 68 ASP HA H 68 5.901 5.557 0.344 1
1 779 . 15 1 1 A 68 68 ASP CB C 68 42.545 44.705 -2.160 1
1 782 . 15 1 1 A 68 68 ASP C C 68 176.116 174.786 1.330 1
1 783 . 15 1 1 A 69 69 VAL N N 69 114.937 117.660 -2.723 1
1 784 . 15 1 1 A 69 69 VAL H H 69 8.819 8.772 0.047 1
1 785 . 15 1 1 A 69 69 VAL CA C 69 58.051 58.062 -0.011 1
1 786 . 15 1 1 A 69 69 VAL HA H 69 5.205 5.073 0.132 1
1 787 . 15 1 1 A 69 69 VAL CB C 69 35.698 34.913 0.785 1
1 797 . 15 1 1 A 69 69 VAL C C 69 173.154 173.651 -0.497 1
1 798 . 15 1 1 A 70 70 PRO CA C 70 62.946 62.058 0.888 1
1 799 . 15 1 1 A 70 70 PRO HA H 70 4.479 3.924 0.555 1
1 800 . 15 1 1 A 70 70 PRO CB C 70 32.255 31.993 0.262 1
1 809 . 15 1 1 A 70 70 PRO C C 70 178.737 177.155 1.582 1
1 810 . 15 1 1 A 71 71 THR N N 71 119.743 117.231 2.512 1
1 811 . 15 1 1 A 71 71 THR H H 71 8.401 8.608 -0.207 1
1 812 . 15 1 1 A 71 71 THR CA C 71 66.415 65.396 1.019 1
1 813 . 15 1 1 A 71 71 THR HA H 71 3.761 3.987 -0.226 1
1 814 . 15 1 1 A 71 71 THR CB C 71 68.476 68.926 -0.450 1
1 820 . 15 1 1 A 71 71 THR C C 71 176.965 175.996 0.969 1
1 821 . 15 1 1 A 72 72 THR N N 72 109.724 113.592 -3.868 1
1 822 . 15 1 1 A 72 72 THR H H 72 7.747 7.979 -0.232 1
1 823 . 15 1 1 A 72 72 THR CA C 72 64.100 66.053 -1.953 1
1 824 . 15 1 1 A 72 72 THR HA H 72 4.120 3.905 0.215 1
1 825 . 15 1 1 A 72 72 THR CB C 72 68.471 68.400 0.071 1
1 831 . 15 1 1 A 72 72 THR C C 72 175.849 177.107 -1.258 1
1 832 . 15 1 1 A 73 73 GLU N N 73 118.626 122.419 -3.793 1
1 833 . 15 1 1 A 73 73 GLU H H 73 7.767 7.589 0.178 1
1 834 . 15 1 1 A 73 73 GLU CA C 73 55.623 58.727 -3.104 1
1 835 . 15 1 1 A 73 73 GLU HA H 73 4.587 4.165 0.422 1
1 836 . 15 1 1 A 73 73 GLU CB C 73 30.542 29.380 1.162 1
1 842 . 15 1 1 A 73 73 GLU C C 73 177.257 178.646 -1.389 1
1 843 . 15 1 1 A 74 74 SER N N 74 114.932 115.171 -0.239 1
1 844 . 15 1 1 A 74 74 SER H H 74 7.442 7.845 -0.403 1
1 845 . 15 1 1 A 74 74 SER CA C 74 62.099 61.503 0.596 1
1 846 . 15 1 1 A 74 74 SER HA H 74 3.938 4.077 -0.139 1
1 847 . 15 1 1 A 74 74 SER CB C 74 63.067 62.970 0.097 1
1 850 . 15 1 1 A 74 74 SER C C 74 176.528 177.263 -0.735 1
1 851 . 15 1 1 A 75 75 GLU N N 75 120.907 121.880 -0.973 1
1 852 . 15 1 1 A 75 75 GLU H H 75 8.350 7.781 0.569 1
1 853 . 15 1 1 A 75 75 GLU CA C 75 59.706 59.248 0.458 1
1 854 . 15 1 1 A 75 75 GLU HA H 75 4.045 4.060 -0.015 1
1 855 . 15 1 1 A 75 75 GLU CB C 75 29.085 29.529 -0.444 1
1 861 . 15 1 1 A 75 75 GLU C C 75 179.320 179.274 0.046 1
1 862 . 15 1 1 A 76 76 ARG N N 76 121.343 119.397 1.946 1
1 863 . 15 1 1 A 76 76 ARG H H 76 7.948 7.471 0.477 1
1 864 . 15 1 1 A 76 76 ARG CA C 76 59.188 58.885 0.303 1
1 865 . 15 1 1 A 76 76 ARG HA H 76 4.094 4.157 -0.063 1
1 866 . 15 1 1 A 76 76 ARG CB C 76 29.726 29.997 -0.271 1
1 875 . 15 1 1 A 76 76 ARG C C 76 178.373 179.040 -0.667 1
1 876 . 15 1 1 A 77 77 LEU N N 77 120.110 119.923 0.187 1
1 877 . 15 1 1 A 77 77 LEU H H 77 8.029 8.462 -0.433 1
1 878 . 15 1 1 A 77 77 LEU CA C 77 59.809 58.036 1.773 1
1 879 . 15 1 1 A 77 77 LEU HA H 77 3.975 4.054 -0.079 1
1 880 . 15 1 1 A 77 77 LEU CB C 77 42.216 41.032 1.184 1
1 893 . 15 1 1 A 77 77 LEU C C 77 178.810 179.755 -0.945 1
1 894 . 15 1 1 A 78 78 GLN N N 78 114.090 118.491 -4.401 1
1 895 . 15 1 1 A 78 78 GLN H H 78 7.680 7.899 -0.219 1
1 896 . 15 1 1 A 78 78 GLN CA C 78 59.600 58.952 0.648 1
1 897 . 15 1 1 A 78 78 GLN HA H 78 3.915 4.162 -0.247 1
1 898 . 15 1 1 A 78 78 GLN CB C 78 30.101 28.384 1.717 1
1 907 . 15 1 1 A 78 78 GLN C C 78 178.325 178.377 -0.052 1
1 908 . 15 1 1 A 79 79 ALA N N 79 119.863 122.536 -2.673 1
1 909 . 15 1 1 A 79 79 ALA H H 79 7.900 7.759 0.141 1
1 910 . 15 1 1 A 79 79 ALA CA C 79 54.321 55.365 -1.044 1
1 911 . 15 1 1 A 79 79 ALA HA H 79 4.255 4.223 0.032 1
1 912 . 15 1 1 A 79 79 ALA CB C 79 18.596 18.245 0.351 1
1 916 . 15 1 1 A 79 79 ALA C C 79 179.514 179.939 -0.425 1
1 917 . 15 1 1 A 80 80 GLU N N 80 115.847 117.994 -2.147 1
1 918 . 15 1 1 A 80 80 GLU H H 80 7.773 8.537 -0.764 1
1 919 . 15 1 1 A 80 80 GLU CA C 80 57.312 58.383 -1.071 1
1 920 . 15 1 1 A 80 80 GLU HA H 80 4.286 4.313 -0.027 1
1 921 . 15 1 1 A 80 80 GLU CB C 80 31.095 29.244 1.851 1
1 927 . 15 1 1 A 80 80 GLU C C 80 176.965 176.873 0.092 1
1 928 . 15 1 1 A 81 81 TRP N N 81 122.132 123.404 -1.272 1
1 929 . 15 1 1 A 81 81 TRP H H 81 7.661 7.882 -0.221 1
1 930 . 15 1 1 A 81 81 TRP CA C 81 58.641 55.571 3.070 1
1 931 . 15 1 1 A 81 81 TRP HA H 81 4.261 4.992 -0.731 1
1 932 . 15 1 1 A 81 81 TRP CB C 81 29.118 29.180 -0.062 1
1 947 . 15 1 1 A 81 81 TRP C C 81 174.611 174.789 -0.178 1
1 948 . 15 1 1 A 82 82 HIS CA C 82 54.101 54.512 -0.411 1
1 949 . 15 1 1 A 82 82 HIS HA H 82 4.727 4.885 -0.158 1
1 950 . 15 1 1 A 82 82 HIS CB C 82 30.847 33.388 -2.541 1
1 957 . 15 1 1 A 83 83 ASP CA C 83 54.997 55.096 -0.099 1
1 958 . 15 1 1 A 83 83 ASP HA H 83 4.342 4.012 0.330 1
1 959 . 15 1 1 A 83 83 ASP CB C 83 40.395 39.584 0.811 1
1 962 . 15 1 1 A 83 83 ASP C C 83 174.198 174.744 -0.546 1
1 963 . 15 1 1 A 84 84 SER N N 84 111.986 113.717 -1.731 1
1 964 . 15 1 1 A 84 84 SER H H 84 7.863 7.742 0.121 1
1 965 . 15 1 1 A 84 84 SER CA C 84 56.714 57.810 -1.096 1
1 966 . 15 1 1 A 84 84 SER HA H 84 4.584 4.625 -0.041 1
1 967 . 15 1 1 A 84 84 SER CB C 84 64.374 64.226 0.148 1
1 970 . 15 1 1 A 84 84 SER C C 84 174.489 173.499 0.990 1
1 971 . 15 1 1 A 85 85 ASP N N 85 125.547 124.545 1.002 1
1 972 . 15 1 1 A 85 85 ASP H H 85 9.268 8.758 0.510 1
1 973 . 15 1 1 A 85 85 ASP CA C 85 55.447 54.777 0.670 1
1 974 . 15 1 1 A 85 85 ASP HA H 85 4.704 4.889 -0.185 1
1 975 . 15 1 1 A 85 85 ASP CB C 85 40.980 41.500 -0.520 1
1 978 . 15 1 1 A 85 85 ASP C C 85 177.038 174.849 2.189 1
1 979 . 15 1 1 A 86 86 TRP N N 86 121.831 119.095 2.736 1
1 980 . 15 1 1 A 86 86 TRP H H 86 9.345 7.749 1.596 1
1 981 . 15 1 1 A 86 86 TRP CA C 86 56.967 56.084 0.883 1
1 982 . 15 1 1 A 86 86 TRP HA H 86 5.091 5.459 -0.368 1
1 983 . 15 1 1 A 86 86 TRP CB C 86 29.118 33.582 -4.464 1
1 998 . 15 1 1 A 86 86 TRP C C 86 176.723 175.132 1.591 1
1 999 . 15 1 1 A 87 87 ILE N N 87 123.116 124.344 -1.228 1
1 1000 . 15 1 1 A 87 87 ILE H H 87 8.965 9.233 -0.268 1
1 1001 . 15 1 1 A 87 87 ILE CA C 87 60.595 59.996 0.599 1
1 1002 . 15 1 1 A 87 87 ILE HA H 87 4.462 4.907 -0.445 1
1 1003 . 15 1 1 A 87 87 ILE CB C 87 40.354 39.271 1.083 1
1 1016 . 15 1 1 A 87 87 ILE C C 87 175.824 174.880 0.944 1
1 1017 . 15 1 1 A 88 88 LEU N N 88 134.475 130.887 3.588 1
1 1018 . 15 1 1 A 88 88 LEU H H 88 8.736 9.145 -0.409 1
1 1019 . 15 1 1 A 88 88 LEU CA C 88 53.763 53.485 0.278 1
1 1020 . 15 1 1 A 88 88 LEU HA H 88 5.163 4.953 0.210 1
1 1021 . 15 1 1 A 88 88 LEU CB C 88 43.020 44.078 -1.058 1
1 1034 . 15 1 1 A 88 88 LEU C C 88 175.824 175.018 0.806 1
1 1035 . 15 1 1 A 89 89 SER N N 89 122.016 123.656 -1.640 1
1 1036 . 15 1 1 A 89 89 SER H H 89 9.152 8.872 0.280 1
1 1037 . 15 1 1 A 89 89 SER CA C 89 57.242 57.499 -0.257 1
1 1038 . 15 1 1 A 89 89 SER HA H 89 4.739 5.191 -0.452 1
1 1039 . 15 1 1 A 89 89 SER CB C 89 65.526 66.490 -0.964 1
1 1042 . 15 1 1 A 89 89 SER C C 89 171.989 172.888 -0.899 1
1 1043 . 15 1 1 A 90 90 VAL N N 90 119.844 121.566 -1.722 1
1 1044 . 15 1 1 A 90 90 VAL H H 90 8.220 8.610 -0.390 1
1 1045 . 15 1 1 A 90 90 VAL CA C 90 59.143 59.156 -0.013 1
1 1046 . 15 1 1 A 90 90 VAL HA H 90 4.604 4.475 0.129 1
1 1047 . 15 1 1 A 90 90 VAL CB C 90 33.056 32.882 0.174 1
1 1057 . 15 1 1 A 90 90 VAL C C 90 174.198 174.161 0.037 1
1 1058 . 15 1 1 A 91 91 PRO CA C 91 63.467 62.512 0.955 1
1 1059 . 15 1 1 A 91 91 PRO HA H 91 4.329 4.745 -0.416 1
1 1060 . 15 1 1 A 91 91 PRO CB C 91 32.003 33.532 -1.529 1
1 1069 . 15 1 1 A 91 91 PRO C C 91 175.557 175.823 -0.266 1
1 1 . 16 1 1 A 6 6 SER CA C 6 58.720 57.061 1.659 1
1 2 . 16 1 1 A 6 6 SER HA H 6 4.456 4.310 0.146 1
1 3 . 16 1 1 A 6 6 SER CB C 6 63.880 67.188 -3.308 1
1 6 . 16 1 1 A 6 6 SER C C 6 174.951 173.576 1.375 1
1 7 . 16 1 1 A 7 7 GLY N N 7 110.558 109.681 0.877 1
1 8 . 16 1 1 A 7 7 GLY H H 7 8.377 7.458 0.919 1
1 9 . 16 1 1 A 7 7 GLY CA C 7 45.205 45.159 0.046 1
1 10 . 16 1 1 A 7 7 GLY HA2 H 7 3.879 3.773 0.106 1
1 11 . 16 1 1 A 7 7 GLY HA3 H 7 3.910 3.832 0.078 1
1 12 . 16 1 1 A 7 7 GLY C C 7 173.615 175.159 -1.544 1
1 13 . 16 1 1 A 8 8 PHE N N 8 119.857 115.526 4.331 1
1 14 . 16 1 1 A 8 8 PHE H H 8 8.062 7.683 0.379 1
1 15 . 16 1 1 A 8 8 PHE CA C 8 57.418 58.714 -1.296 1
1 16 . 16 1 1 A 8 8 PHE HA H 8 4.624 4.077 0.547 1
1 17 . 16 1 1 A 8 8 PHE CB C 8 39.749 35.917 3.832 1
1 30 . 16 1 1 A 8 8 PHE C C 8 175.242 174.787 0.455 1
1 31 . 16 1 1 A 9 9 GLU N N 9 124.807 119.053 5.754 1
1 32 . 16 1 1 A 9 9 GLU H H 9 8.311 7.808 0.503 1
1 33 . 16 1 1 A 9 9 GLU CA C 9 54.034 55.594 -1.560 1
1 34 . 16 1 1 A 9 9 GLU HA H 9 4.546 4.360 0.186 1
1 35 . 16 1 1 A 9 9 GLU CB C 9 29.859 29.519 0.340 1
1 40 . 16 1 1 A 9 9 GLU C C 9 174.125 174.809 -0.684 1
1 41 . 16 1 1 A 10 10 PRO CA C 10 63.366 62.877 0.489 1
1 42 . 16 1 1 A 10 10 PRO HA H 10 4.334 4.699 -0.365 1
1 43 . 16 1 1 A 10 10 PRO CB C 10 32.033 31.745 0.288 1
1 52 . 16 1 1 A 10 10 PRO C C 10 177.062 176.027 1.035 1
1 53 . 16 1 1 A 11 11 ARG N N 11 120.726 124.835 -4.109 1
1 54 . 16 1 1 A 11 11 ARG H H 11 8.477 8.623 -0.146 1
1 55 . 16 1 1 A 11 11 ARG CA C 11 56.175 54.547 1.628 1
1 56 . 16 1 1 A 11 11 ARG HA H 11 4.318 4.790 -0.472 1
1 57 . 16 1 1 A 11 11 ARG CB C 11 30.831 33.437 -2.606 1
1 66 . 16 1 1 A 11 11 ARG C C 11 176.455 176.215 0.240 1
1 67 . 16 1 1 A 12 12 SER N N 12 116.599 113.205 3.394 1
1 68 . 16 1 1 A 12 12 SER H H 12 8.289 8.648 -0.359 1
1 69 . 16 1 1 A 12 12 SER CA C 12 58.330 60.783 -2.453 1
1 70 . 16 1 1 A 12 12 SER HA H 12 4.396 4.116 0.280 1
1 71 . 16 1 1 A 12 12 SER CB C 12 63.633 61.661 1.972 1
1 74 . 16 1 1 A 12 12 SER C C 12 174.465 173.636 0.829 1
1 75 . 16 1 1 A 13 13 LEU N N 13 124.186 122.243 1.943 1
1 76 . 16 1 1 A 13 13 LEU H H 13 8.275 7.941 0.334 1
1 77 . 16 1 1 A 13 13 LEU CA C 13 55.306 53.087 2.219 1
1 78 . 16 1 1 A 13 13 LEU HA H 13 4.361 4.850 -0.489 1
1 79 . 16 1 1 A 13 13 LEU CB C 13 42.350 44.486 -2.136 1
1 92 . 16 1 1 A 13 13 LEU C C 13 177.184 175.443 1.741 1
1 93 . 16 1 1 A 14 14 ILE N N 14 121.445 121.172 0.273 1
1 94 . 16 1 1 A 14 14 ILE H H 14 8.106 8.761 -0.655 1
1 95 . 16 1 1 A 14 14 ILE CA C 14 61.248 60.283 0.965 1
1 96 . 16 1 1 A 14 14 ILE HA H 14 4.202 4.648 -0.446 1
1 97 . 16 1 1 A 14 14 ILE CB C 14 38.555 39.683 -1.128 1
1 110 . 16 1 1 A 14 14 ILE C C 14 176.528 175.912 0.616 1
1 111 . 16 1 1 A 15 15 THR N N 15 118.053 123.538 -5.485 1
1 112 . 16 1 1 A 15 15 THR H H 15 8.226 8.854 -0.628 1
1 113 . 16 1 1 A 15 15 THR CA C 15 61.573 65.422 -3.849 1
1 114 . 16 1 1 A 15 15 THR HA H 15 4.401 3.978 0.423 1
1 115 . 16 1 1 A 15 15 THR CB C 15 69.795 69.729 0.066 1
1 121 . 16 1 1 A 15 15 THR C C 15 174.538 174.661 -0.123 1
1 122 . 16 1 1 A 16 16 SER N N 16 117.877 116.199 1.678 1
1 123 . 16 1 1 A 16 16 SER H H 16 8.272 8.187 0.085 1
1 124 . 16 1 1 A 16 16 SER CA C 16 55.830 60.112 -4.282 1
1 125 . 16 1 1 A 16 16 SER HA H 16 4.448 4.441 0.007 1
1 126 . 16 1 1 A 16 16 SER CB C 16 63.880 61.380 2.500 1
1 129 . 16 1 1 A 16 16 SER C C 16 174.247 174.270 -0.023 1
1 130 . 16 1 1 A 17 17 ASP N N 17 122.892 121.119 1.773 1
1 131 . 16 1 1 A 17 17 ASP H H 17 8.425 8.587 -0.162 1
1 132 . 16 1 1 A 17 17 ASP CA C 17 54.461 56.401 -1.940 1
1 133 . 16 1 1 A 17 17 ASP HA H 17 4.611 4.466 0.145 1
1 134 . 16 1 1 A 17 17 ASP CB C 17 41.340 40.638 0.702 1
1 137 . 16 1 1 A 17 17 ASP C C 17 176.358 177.207 -0.849 1
1 138 . 16 1 1 A 18 18 LYS N N 18 121.459 116.912 4.547 1
1 139 . 16 1 1 A 18 18 LYS H H 18 8.349 7.884 0.465 1
1 140 . 16 1 1 A 18 18 LYS CA C 18 56.526 56.645 -0.119 1
1 141 . 16 1 1 A 18 18 LYS HA H 18 4.356 4.405 -0.049 1
1 142 . 16 1 1 A 18 18 LYS CB C 18 32.744 33.683 -0.939 1
1 152 . 16 1 1 A 18 18 LYS C C 18 177.305 177.954 -0.649 1
1 153 . 16 1 1 A 19 19 GLY N N 19 109.072 108.314 0.758 1
1 154 . 16 1 1 A 19 19 GLY H H 19 8.533 8.218 0.315 1
1 155 . 16 1 1 A 19 19 GLY CA C 19 45.451 45.590 -0.139 1
1 156 . 16 1 1 A 19 19 GLY HA2 H 19 3.884 3.880 0.004 1
1 157 . 16 1 1 A 19 19 GLY HA3 H 19 3.960 3.965 -0.005 1
1 158 . 16 1 1 A 19 19 GLY C C 19 174.028 173.214 0.814 1
1 159 . 16 1 1 A 20 20 PHE N N 20 119.395 119.247 0.148 1
1 160 . 16 1 1 A 20 20 PHE H H 20 8.014 8.127 -0.113 1
1 161 . 16 1 1 A 20 20 PHE CA C 20 56.992 56.544 0.448 1
1 162 . 16 1 1 A 20 20 PHE HA H 20 5.166 5.181 -0.015 1
1 163 . 16 1 1 A 20 20 PHE CB C 20 43.122 43.169 -0.047 1
1 176 . 16 1 1 A 20 20 PHE C C 20 174.247 174.286 -0.039 1
1 177 . 16 1 1 A 21 21 VAL N N 21 119.613 118.031 1.582 1
1 178 . 16 1 1 A 21 21 VAL H H 21 9.282 9.100 0.182 1
1 179 . 16 1 1 A 21 21 VAL CA C 21 60.286 60.367 -0.081 1
1 180 . 16 1 1 A 21 21 VAL HA H 21 4.403 4.718 -0.315 1
1 181 . 16 1 1 A 21 21 VAL CB C 21 35.624 35.453 0.171 1
1 191 . 16 1 1 A 21 21 VAL C C 21 174.077 173.749 0.328 1
1 192 . 16 1 1 A 22 22 THR N N 22 123.150 122.397 0.753 1
1 193 . 16 1 1 A 22 22 THR H H 22 8.226 8.780 -0.554 1
1 194 . 16 1 1 A 22 22 THR CA C 22 61.672 61.679 -0.007 1
1 195 . 16 1 1 A 22 22 THR HA H 22 5.214 5.168 0.046 1
1 196 . 16 1 1 A 22 22 THR CB C 22 69.636 70.790 -1.154 1
1 202 . 16 1 1 A 22 22 THR C C 22 174.319 173.692 0.627 1
1 203 . 16 1 1 A 23 23 MET N N 23 125.701 123.897 1.804 1
1 204 . 16 1 1 A 23 23 MET H H 23 9.254 9.012 0.242 1
1 205 . 16 1 1 A 23 23 MET CA C 23 54.250 54.051 0.199 1
1 206 . 16 1 1 A 23 23 MET HA H 23 4.680 5.263 -0.583 1
1 207 . 16 1 1 A 23 23 MET CB C 23 34.967 36.725 -1.758 1
1 217 . 16 1 1 A 23 23 MET C C 23 174.028 174.273 -0.245 1
1 218 . 16 1 1 A 24 24 THR N N 24 109.251 114.981 -5.730 1
1 219 . 16 1 1 A 24 24 THR H H 24 8.410 8.551 -0.141 1
1 220 . 16 1 1 A 24 24 THR CA C 24 59.952 60.914 -0.962 1
1 221 . 16 1 1 A 24 24 THR HA H 24 4.838 4.873 -0.035 1
1 222 . 16 1 1 A 24 24 THR CB C 24 71.427 72.501 -1.074 1
1 228 . 16 1 1 A 24 24 THR C C 24 172.353 172.858 -0.505 1
1 229 . 16 1 1 A 25 25 LEU N N 25 125.384 126.213 -0.829 1
1 230 . 16 1 1 A 25 25 LEU H H 25 8.901 8.905 -0.004 1
1 231 . 16 1 1 A 25 25 LEU CA C 25 53.373 53.975 -0.602 1
1 232 . 16 1 1 A 25 25 LEU HA H 25 5.333 5.050 0.283 1
1 233 . 16 1 1 A 25 25 LEU CB C 25 45.607 45.029 0.578 1
1 246 . 16 1 1 A 25 25 LEU C C 25 175.606 175.251 0.355 1
1 247 . 16 1 1 A 26 26 GLU N N 26 125.482 127.178 -1.696 1
1 248 . 16 1 1 A 26 26 GLU H H 26 9.147 9.196 -0.049 1
1 249 . 16 1 1 A 26 26 GLU CA C 26 56.010 55.645 0.365 1
1 250 . 16 1 1 A 26 26 GLU HA H 26 4.922 4.752 0.170 1
1 251 . 16 1 1 A 26 26 GLU CB C 26 33.588 31.386 2.202 1
1 257 . 16 1 1 A 26 26 GLU C C 26 175.387 176.259 -0.872 1
1 258 . 16 1 1 A 27 27 SER N N 27 118.827 119.918 -1.091 1
1 259 . 16 1 1 A 27 27 SER H H 27 8.432 8.769 -0.337 1
1 260 . 16 1 1 A 27 27 SER CA C 27 55.236 56.950 -1.714 1
1 261 . 16 1 1 A 27 27 SER HA H 27 3.720 4.042 -0.322 1
1 262 . 16 1 1 A 27 27 SER CB C 27 63.703 65.026 -1.323 1
1 265 . 16 1 1 A 27 27 SER C C 27 173.980 174.342 -0.362 1
1 266 . 16 1 1 A 28 28 LEU N N 28 121.319 122.380 -1.061 1
1 267 . 16 1 1 A 28 28 LEU H H 28 7.990 8.121 -0.131 1
1 268 . 16 1 1 A 28 28 LEU CA C 28 55.887 56.063 -0.176 1
1 269 . 16 1 1 A 28 28 LEU HA H 28 4.071 4.202 -0.131 1
1 270 . 16 1 1 A 28 28 LEU CB C 28 42.184 42.538 -0.354 1
1 283 . 16 1 1 A 28 28 LEU C C 28 177.159 176.379 0.780 1
1 284 . 16 1 1 A 29 29 GLU N N 29 115.740 115.610 0.130 1
1 285 . 16 1 1 A 29 29 GLU H H 29 7.458 7.504 -0.046 1
1 286 . 16 1 1 A 29 29 GLU CA C 29 53.658 54.989 -1.331 1
1 287 . 16 1 1 A 29 29 GLU HA H 29 4.444 4.582 -0.138 1
1 288 . 16 1 1 A 29 29 GLU CB C 29 33.209 33.209 0.000 1
1 294 . 16 1 1 A 29 29 GLU C C 29 174.417 174.274 0.143 1
1 295 . 16 1 1 A 30 30 GLU N N 30 122.052 122.411 -0.359 1
1 296 . 16 1 1 A 30 30 GLU H H 30 8.500 8.517 -0.017 1
1 297 . 16 1 1 A 30 30 GLU CA C 30 57.621 56.697 0.924 1
1 298 . 16 1 1 A 30 30 GLU HA H 30 4.297 4.400 -0.103 1
1 299 . 16 1 1 A 30 30 GLU CB C 30 30.403 30.596 -0.193 1
1 305 . 16 1 1 A 30 30 GLU C C 30 177.087 176.185 0.902 1
1 306 . 16 1 1 A 31 31 ILE N N 31 120.377 121.047 -0.670 1
1 307 . 16 1 1 A 31 31 ILE H H 31 8.828 8.575 0.253 1
1 308 . 16 1 1 A 31 31 ILE CA C 31 59.741 58.399 1.342 1
1 309 . 16 1 1 A 31 31 ILE HA H 31 4.680 4.785 -0.105 1
1 310 . 16 1 1 A 31 31 ILE CB C 31 40.845 40.606 0.239 1
1 323 . 16 1 1 A 31 31 ILE C C 31 175.776 176.388 -0.612 1
1 324 . 16 1 1 A 32 32 GLN N N 32 119.444 121.738 -2.294 1
1 325 . 16 1 1 A 32 32 GLN H H 32 8.668 8.902 -0.234 1
1 326 . 16 1 1 A 32 32 GLN CA C 32 57.277 58.071 -0.794 1
1 327 . 16 1 1 A 32 32 GLN HA H 32 4.302 4.221 0.081 1
1 328 . 16 1 1 A 32 32 GLN CB C 32 30.079 29.541 0.538 1
1 337 . 16 1 1 A 32 32 GLN C C 32 175.824 174.921 0.903 1
1 338 . 16 1 1 A 33 33 ASP N N 33 113.908 117.662 -3.754 1
1 339 . 16 1 1 A 33 33 ASP H H 33 7.684 7.880 -0.196 1
1 340 . 16 1 1 A 33 33 ASP CA C 33 53.441 53.315 0.126 1
1 341 . 16 1 1 A 33 33 ASP HA H 33 4.754 4.893 -0.139 1
1 342 . 16 1 1 A 33 33 ASP CB C 33 43.727 43.639 0.088 1
1 345 . 16 1 1 A 33 33 ASP C C 33 175.824 175.618 0.206 1
1 346 . 16 1 1 A 34 34 VAL N N 34 114.196 122.966 -8.770 1
1 347 . 16 1 1 A 34 34 VAL H H 34 8.640 8.738 -0.098 1
1 348 . 16 1 1 A 34 34 VAL CA C 34 64.836 65.065 -0.229 1
1 349 . 16 1 1 A 34 34 VAL HA H 34 3.910 3.897 0.013 1
1 350 . 16 1 1 A 34 34 VAL CB C 34 31.539 31.570 -0.031 1
1 360 . 16 1 1 A 34 34 VAL C C 34 177.669 178.066 -0.397 1
1 361 . 16 1 1 A 35 35 SER N N 35 120.001 116.477 3.524 1
1 362 . 16 1 1 A 35 35 SER H H 35 9.274 8.535 0.739 1
1 363 . 16 1 1 A 35 35 SER CA C 35 62.276 61.417 0.859 1
1 364 . 16 1 1 A 35 35 SER HA H 35 4.448 4.519 -0.071 1
1 365 . 16 1 1 A 35 35 SER CB C 35 62.255 62.653 -0.398 1
1 368 . 16 1 1 A 35 35 SER C C 35 177.305 177.358 -0.053 1
1 369 . 16 1 1 A 36 36 CYS N N 36 120.840 119.741 1.099 1
1 370 . 16 1 1 A 36 36 CYS H H 36 7.894 8.221 -0.327 1
1 371 . 16 1 1 A 36 36 CYS CA C 36 62.416 63.320 -0.904 1
1 372 . 16 1 1 A 36 36 CYS HA H 36 4.310 4.309 0.001 1
1 373 . 16 1 1 A 36 36 CYS CB C 36 28.189 27.519 0.670 1
1 376 . 16 1 1 A 36 36 CYS C C 36 177.257 176.623 0.634 1
1 377 . 16 1 1 A 37 37 ALA N N 37 122.247 121.720 0.527 1
1 378 . 16 1 1 A 37 37 ALA H H 37 7.343 7.888 -0.545 1
1 379 . 16 1 1 A 37 37 ALA CA C 37 54.145 55.076 -0.931 1
1 380 . 16 1 1 A 37 37 ALA HA H 37 3.546 3.773 -0.227 1
1 381 . 16 1 1 A 37 37 ALA CB C 37 20.009 18.291 1.718 1
1 385 . 16 1 1 A 37 37 ALA C C 37 178.883 179.738 -0.855 1
1 386 . 16 1 1 A 38 38 TRP N N 38 117.352 118.876 -1.524 1
1 387 . 16 1 1 A 38 38 TRP H H 38 7.937 7.942 -0.005 1
1 388 . 16 1 1 A 38 38 TRP CA C 38 60.600 59.874 0.726 1
1 389 . 16 1 1 A 38 38 TRP HA H 38 4.276 4.473 -0.197 1
1 390 . 16 1 1 A 38 38 TRP CB C 38 29.693 29.073 0.620 1
1 405 . 16 1 1 A 38 38 TRP C C 38 178.664 179.348 -0.684 1
1 406 . 16 1 1 A 39 39 LYS N N 39 117.638 118.771 -1.133 1
1 407 . 16 1 1 A 39 39 LYS H H 39 8.102 7.882 0.220 1
1 408 . 16 1 1 A 39 39 LYS CA C 39 60.009 59.086 0.923 1
1 409 . 16 1 1 A 39 39 LYS HA H 39 4.031 4.095 -0.064 1
1 410 . 16 1 1 A 39 39 LYS CB C 39 32.471 32.147 0.324 1
1 421 . 16 1 1 A 39 39 LYS C C 39 178.713 178.724 -0.011 1
1 422 . 16 1 1 A 40 40 GLU N N 40 120.486 119.290 1.196 1
1 423 . 16 1 1 A 40 40 GLU H H 40 6.821 7.542 -0.721 1
1 424 . 16 1 1 A 40 40 GLU CA C 40 58.486 58.880 -0.394 1
1 425 . 16 1 1 A 40 40 GLU HA H 40 4.350 4.053 0.297 1
1 426 . 16 1 1 A 40 40 GLU CB C 40 28.459 29.253 -0.794 1
1 432 . 16 1 1 A 40 40 GLU C C 40 178.543 178.980 -0.437 1
1 433 . 16 1 1 A 41 41 LEU N N 41 119.356 120.194 -0.838 1
1 434 . 16 1 1 A 41 41 LEU H H 41 8.291 8.312 -0.021 1
1 435 . 16 1 1 A 41 41 LEU CA C 41 59.002 57.813 1.189 1
1 436 . 16 1 1 A 41 41 LEU HA H 41 3.947 4.030 -0.083 1
1 437 . 16 1 1 A 41 41 LEU CB C 41 41.914 41.498 0.416 1
1 450 . 16 1 1 A 41 41 LEU C C 41 178.106 179.349 -1.243 1
1 451 . 16 1 1 A 42 42 ASN N N 42 113.310 116.870 -3.560 1
1 452 . 16 1 1 A 42 42 ASN H H 42 8.350 8.161 0.189 1
1 453 . 16 1 1 A 42 42 ASN CA C 42 55.623 56.597 -0.974 1
1 454 . 16 1 1 A 42 42 ASN HA H 42 4.420 4.488 -0.068 1
1 455 . 16 1 1 A 42 42 ASN CB C 42 39.318 37.996 1.322 1
1 461 . 16 1 1 A 42 42 ASN C C 42 176.820 178.181 -1.361 1
1 462 . 16 1 1 A 43 43 ARG N N 43 117.734 118.905 -1.171 1
1 463 . 16 1 1 A 43 43 ARG H H 43 7.578 8.185 -0.607 1
1 464 . 16 1 1 A 43 43 ARG CA C 43 58.301 58.308 -0.007 1
1 465 . 16 1 1 A 43 43 ARG HA H 43 4.227 4.159 0.068 1
1 466 . 16 1 1 A 43 43 ARG CB C 43 31.361 30.351 1.010 1
1 475 . 16 1 1 A 43 43 ARG C C 43 178.106 177.256 0.850 1
1 476 . 16 1 1 A 44 44 LYS N N 44 115.502 116.041 -0.539 1
1 477 . 16 1 1 A 44 44 LYS H H 44 7.365 7.378 -0.013 1
1 478 . 16 1 1 A 44 44 LYS CA C 44 55.367 55.901 -0.534 1
1 479 . 16 1 1 A 44 44 LYS HA H 44 4.280 4.419 -0.139 1
1 480 . 16 1 1 A 44 44 LYS CB C 44 34.289 33.810 0.479 1
1 491 . 16 1 1 A 44 44 LYS C C 44 176.504 175.970 0.534 1
1 492 . 16 1 1 A 45 45 LEU N N 45 118.486 120.462 -1.976 1
1 493 . 16 1 1 A 45 45 LEU H H 45 7.977 7.590 0.387 1
1 494 . 16 1 1 A 45 45 LEU CA C 45 53.335 53.203 0.132 1
1 495 . 16 1 1 A 45 45 LEU HA H 45 4.882 4.927 -0.045 1
1 496 . 16 1 1 A 45 45 LEU CB C 45 45.307 45.407 -0.100 1
1 509 . 16 1 1 A 45 45 LEU C C 45 176.771 176.539 0.232 1
1 510 . 16 1 1 A 46 46 SER N N 46 116.809 115.352 1.457 1
1 511 . 16 1 1 A 46 46 SER H H 46 9.074 8.751 0.323 1
1 512 . 16 1 1 A 46 46 SER CA C 46 57.981 57.075 0.906 1
1 513 . 16 1 1 A 46 46 SER HA H 46 4.407 4.910 -0.503 1
1 514 . 16 1 1 A 46 46 SER CB C 46 64.496 64.690 -0.194 1
1 517 . 16 1 1 A 46 46 SER C C 46 175.387 175.829 -0.442 1
1 518 . 16 1 1 A 47 47 SER N N 47 117.511 119.789 -2.278 1
1 519 . 16 1 1 A 47 47 SER H H 47 8.955 9.095 -0.140 1
1 520 . 16 1 1 A 47 47 SER CA C 47 61.523 61.758 -0.235 1
1 521 . 16 1 1 A 47 47 SER HA H 47 4.197 4.103 0.094 1
1 522 . 16 1 1 A 47 47 SER CB C 47 62.412 62.641 -0.229 1
1 525 . 16 1 1 A 48 48 ASN H H 48 8.475 8.106 0.369 1
1 526 . 16 1 1 A 48 48 ASN CA C 48 56.327 56.052 0.275 1
1 527 . 16 1 1 A 48 48 ASN HA H 48 4.421 4.435 -0.014 1
1 528 . 16 1 1 A 48 48 ASN CB C 48 38.635 38.714 -0.079 1
1 534 . 16 1 1 A 48 48 ASN C C 48 177.232 177.259 -0.027 1
1 535 . 16 1 1 A 49 49 ALA N N 49 123.504 121.933 1.571 1
1 536 . 16 1 1 A 49 49 ALA H H 49 7.837 7.810 0.027 1
1 537 . 16 1 1 A 49 49 ALA CA C 49 55.271 55.151 0.120 1
1 538 . 16 1 1 A 49 49 ALA HA H 49 4.171 4.081 0.090 1
1 539 . 16 1 1 A 49 49 ALA CB C 49 19.301 18.529 0.772 1
1 543 . 16 1 1 A 49 49 ALA C C 49 179.830 180.292 -0.462 1
1 544 . 16 1 1 A 50 50 VAL N N 50 115.694 117.255 -1.561 1
1 545 . 16 1 1 A 50 50 VAL H H 50 8.069 8.436 -0.367 1
1 546 . 16 1 1 A 50 50 VAL CA C 50 65.728 64.674 1.054 1
1 547 . 16 1 1 A 50 50 VAL HA H 50 3.645 3.802 -0.157 1
1 548 . 16 1 1 A 50 50 VAL CB C 50 31.836 31.429 0.407 1
1 558 . 16 1 1 A 50 50 VAL C C 50 178.567 177.624 0.943 1
1 559 . 16 1 1 A 51 51 SER N N 51 114.048 117.795 -3.747 1
1 560 . 16 1 1 A 51 51 SER H H 51 7.849 8.043 -0.194 1
1 561 . 16 1 1 A 51 51 SER CA C 51 60.756 60.808 -0.052 1
1 562 . 16 1 1 A 51 51 SER HA H 51 4.334 4.278 0.056 1
1 563 . 16 1 1 A 51 51 SER CB C 51 63.383 63.090 0.293 1
1 565 . 16 1 1 A 51 51 SER C C 51 174.635 176.148 -1.513 1
1 566 . 16 1 1 A 52 52 GLN N N 52 118.482 118.001 0.481 1
1 567 . 16 1 1 A 52 52 GLN H H 52 7.564 7.976 -0.412 1
1 568 . 16 1 1 A 52 52 GLN CA C 52 55.306 57.126 -1.820 1
1 569 . 16 1 1 A 52 52 GLN HA H 52 4.389 4.423 -0.034 1
1 570 . 16 1 1 A 52 52 GLN CB C 52 29.217 29.422 -0.205 1
1 579 . 16 1 1 A 52 52 GLN C C 52 175.315 176.926 -1.611 1
1 580 . 16 1 1 A 53 53 ILE N N 53 119.847 121.930 -2.083 1
1 581 . 16 1 1 A 53 53 ILE H H 53 7.281 7.095 0.186 1
1 582 . 16 1 1 A 53 53 ILE CA C 53 62.903 62.294 0.609 1
1 583 . 16 1 1 A 53 53 ILE HA H 53 4.417 3.856 0.561 1
1 584 . 16 1 1 A 53 53 ILE CB C 53 38.124 37.156 0.968 1
1 597 . 16 1 1 A 53 53 ILE C C 53 176.383 175.987 0.396 1
1 598 . 16 1 1 A 54 54 THR N N 54 120.582 119.875 0.707 1
1 599 . 16 1 1 A 54 54 THR H H 54 9.046 8.401 0.645 1
1 600 . 16 1 1 A 54 54 THR CA C 54 59.846 59.927 -0.081 1
1 601 . 16 1 1 A 54 54 THR HA H 54 4.834 4.857 -0.023 1
1 602 . 16 1 1 A 54 54 THR CB C 54 71.904 71.448 0.456 1
1 608 . 16 1 1 A 54 54 THR C C 54 172.135 173.071 -0.936 1
1 609 . 16 1 1 A 55 55 ARG N N 55 118.375 122.517 -4.142 1
1 610 . 16 1 1 A 55 55 ARG H H 55 8.511 8.789 -0.278 1
1 611 . 16 1 1 A 55 55 ARG CA C 55 57.312 57.208 0.104 1
1 612 . 16 1 1 A 55 55 ARG HA H 55 3.782 3.786 -0.004 1
1 613 . 16 1 1 A 55 55 ARG CB C 55 28.704 27.398 1.306 1
1 622 . 16 1 1 A 55 55 ARG C C 55 174.684 175.024 -0.340 1
1 623 . 16 1 1 A 56 56 MET N N 56 118.525 118.516 0.009 1
1 624 . 16 1 1 A 56 56 MET H H 56 8.279 8.030 0.249 1
1 625 . 16 1 1 A 56 56 MET CA C 56 55.799 56.326 -0.527 1
1 626 . 16 1 1 A 56 56 MET HA H 56 5.188 4.798 0.390 1
1 627 . 16 1 1 A 56 56 MET CB C 56 33.062 33.501 -0.439 1
1 637 . 16 1 1 A 56 56 MET C C 56 177.572 175.095 2.477 1
1 638 . 16 1 1 A 57 57 CYS N N 57 126.541 126.748 -0.207 1
1 639 . 16 1 1 A 57 57 CYS H H 57 9.340 8.614 0.726 1
1 640 . 16 1 1 A 57 57 CYS CA C 57 57.171 57.436 -0.265 1
1 641 . 16 1 1 A 57 57 CYS HA H 57 4.794 5.315 -0.521 1
1 642 . 16 1 1 A 57 57 CYS CB C 57 31.161 32.318 -1.157 1
1 645 . 16 1 1 A 57 57 CYS C C 57 173.057 173.370 -0.313 1
1 646 . 16 1 1 A 58 58 LEU N N 58 123.786 123.611 0.175 1
1 647 . 16 1 1 A 58 58 LEU H H 58 8.682 8.741 -0.059 1
1 648 . 16 1 1 A 58 58 LEU CA C 58 55.975 53.800 2.175 1
1 649 . 16 1 1 A 58 58 LEU HA H 58 4.520 4.822 -0.302 1
1 650 . 16 1 1 A 58 58 LEU CB C 58 43.097 43.399 -0.302 1
1 663 . 16 1 1 A 58 58 LEU C C 58 177.960 177.132 0.828 1
1 664 . 16 1 1 A 59 59 LEU N N 59 124.007 124.354 -0.347 1
1 665 . 16 1 1 A 59 59 LEU H H 59 8.269 8.915 -0.646 1
1 666 . 16 1 1 A 59 59 LEU CA C 59 54.156 54.477 -0.321 1
1 667 . 16 1 1 A 59 59 LEU HA H 59 4.261 4.380 -0.119 1
1 668 . 16 1 1 A 59 59 LEU CB C 59 42.986 42.335 0.651 1
1 681 . 16 1 1 A 59 59 LEU C C 59 177.645 177.447 0.198 1
1 682 . 16 1 1 A 60 60 LYS N N 60 122.593 121.733 0.860 1
1 683 . 16 1 1 A 60 60 LYS H H 60 8.458 8.614 -0.156 1
1 684 . 16 1 1 A 60 60 LYS CA C 60 58.263 58.655 -0.392 1
1 685 . 16 1 1 A 60 60 LYS HA H 60 4.101 3.846 0.255 1
1 686 . 16 1 1 A 60 60 LYS CB C 60 31.732 32.179 -0.447 1
1 696 . 16 1 1 A 60 60 LYS C C 60 178.422 177.716 0.706 1
1 697 . 16 1 1 A 61 61 GLY H H 61 9.070 8.920 0.150 1
1 698 . 16 1 1 A 61 61 GLY CA C 61 45.355 46.164 -0.809 1
1 699 . 16 1 1 A 61 61 GLY HA2 H 61 3.641 3.890 -0.249 1
1 700 . 16 1 1 A 61 61 GLY HA3 H 61 4.223 3.896 0.327 1
1 701 . 16 1 1 A 61 61 GLY C C 61 173.907 174.100 -0.193 1
1 702 . 16 1 1 A 62 62 ASN N N 62 112.617 111.929 0.688 1
1 703 . 16 1 1 A 62 62 ASN H H 62 8.639 8.413 0.226 1
1 704 . 16 1 1 A 62 62 ASN CA C 62 55.115 54.512 0.603 1
1 705 . 16 1 1 A 62 62 ASN HA H 62 4.208 4.439 -0.231 1
1 706 . 16 1 1 A 62 62 ASN CB C 62 36.133 37.133 -1.000 1
1 712 . 16 1 1 A 62 62 ASN C C 62 173.810 175.064 -1.254 1
1 713 . 16 1 1 A 63 63 MET N N 63 114.254 117.217 -2.963 1
1 714 . 16 1 1 A 63 63 MET H H 63 7.967 7.797 0.170 1
1 715 . 16 1 1 A 63 63 MET CA C 63 53.229 55.814 -2.585 1
1 716 . 16 1 1 A 63 63 MET HA H 63 4.908 4.415 0.493 1
1 717 . 16 1 1 A 63 63 MET CB C 63 29.363 32.989 -3.626 1
1 727 . 16 1 1 A 63 63 MET C C 63 175.436 175.942 -0.506 1
1 728 . 16 1 1 A 64 64 GLY N N 64 102.826 107.474 -4.648 1
1 729 . 16 1 1 A 64 64 GLY H H 64 7.039 7.437 -0.398 1
1 730 . 16 1 1 A 64 64 GLY CA C 64 45.381 45.514 -0.133 1
1 731 . 16 1 1 A 64 64 GLY HA2 H 64 4.902 4.134 0.768 1
1 732 . 16 1 1 A 64 64 GLY HA3 H 64 4.026 4.261 -0.235 1
1 733 . 16 1 1 A 64 64 GLY C C 64 171.868 171.247 0.621 1
1 734 . 16 1 1 A 65 65 VAL N N 65 110.602 116.075 -5.473 1
1 735 . 16 1 1 A 65 65 VAL H H 65 8.994 8.425 0.569 1
1 736 . 16 1 1 A 65 65 VAL CA C 65 58.892 59.002 -0.110 1
1 737 . 16 1 1 A 65 65 VAL HA H 65 5.511 5.175 0.336 1
1 738 . 16 1 1 A 65 65 VAL CB C 65 36.392 36.030 0.362 1
1 748 . 16 1 1 A 65 65 VAL C C 65 174.319 174.230 0.089 1
1 749 . 16 1 1 A 66 66 CYS N N 66 115.721 119.943 -4.222 1
1 750 . 16 1 1 A 66 66 CYS H H 66 9.175 8.792 0.383 1
1 751 . 16 1 1 A 66 66 CYS CA C 66 54.912 56.200 -1.288 1
1 752 . 16 1 1 A 66 66 CYS HA H 66 5.590 5.096 0.494 1
1 753 . 16 1 1 A 66 66 CYS CB C 66 31.672 32.184 -0.512 1
1 756 . 16 1 1 A 66 66 CYS C C 66 171.941 173.113 -1.172 1
1 757 . 16 1 1 A 67 67 PHE N N 67 114.941 117.448 -2.507 1
1 758 . 16 1 1 A 67 67 PHE H H 67 8.220 8.350 -0.130 1
1 759 . 16 1 1 A 67 67 PHE CA C 67 56.468 56.338 0.130 1
1 760 . 16 1 1 A 67 67 PHE HA H 67 4.879 5.171 -0.292 1
1 761 . 16 1 1 A 67 67 PHE CB C 67 39.366 40.631 -1.265 1
1 774 . 16 1 1 A 67 67 PHE C C 67 171.552 171.873 -0.321 1
1 775 . 16 1 1 A 68 68 ASP N N 68 119.507 119.691 -0.184 1
1 776 . 16 1 1 A 68 68 ASP H H 68 9.072 8.621 0.451 1
1 777 . 16 1 1 A 68 68 ASP CA C 68 52.737 52.977 -0.240 1
1 778 . 16 1 1 A 68 68 ASP HA H 68 5.901 5.755 0.146 1
1 779 . 16 1 1 A 68 68 ASP CB C 68 42.545 43.943 -1.398 1
1 782 . 16 1 1 A 68 68 ASP C C 68 176.116 175.849 0.267 1
1 783 . 16 1 1 A 69 69 VAL N N 69 114.937 117.252 -2.315 1
1 784 . 16 1 1 A 69 69 VAL H H 69 8.819 8.895 -0.076 1
1 785 . 16 1 1 A 69 69 VAL CA C 69 58.051 58.288 -0.237 1
1 786 . 16 1 1 A 69 69 VAL HA H 69 5.205 4.968 0.237 1
1 787 . 16 1 1 A 69 69 VAL CB C 69 35.698 35.271 0.427 1
1 797 . 16 1 1 A 69 69 VAL C C 69 173.154 173.176 -0.022 1
1 798 . 16 1 1 A 70 70 PRO CA C 70 62.946 61.711 1.235 1
1 799 . 16 1 1 A 70 70 PRO HA H 70 4.479 3.886 0.593 1
1 800 . 16 1 1 A 70 70 PRO CB C 70 32.255 32.260 -0.005 1
1 809 . 16 1 1 A 70 70 PRO C C 70 178.737 177.281 1.456 1
1 810 . 16 1 1 A 71 71 THR N N 71 119.743 116.612 3.131 1
1 811 . 16 1 1 A 71 71 THR H H 71 8.401 8.552 -0.151 1
1 812 . 16 1 1 A 71 71 THR CA C 71 66.415 65.274 1.141 1
1 813 . 16 1 1 A 71 71 THR HA H 71 3.761 3.885 -0.124 1
1 814 . 16 1 1 A 71 71 THR CB C 71 68.476 68.135 0.341 1
1 820 . 16 1 1 A 71 71 THR C C 71 176.965 175.750 1.215 1
1 821 . 16 1 1 A 72 72 THR N N 72 109.724 113.142 -3.418 1
1 822 . 16 1 1 A 72 72 THR H H 72 7.747 7.980 -0.233 1
1 823 . 16 1 1 A 72 72 THR CA C 72 64.100 65.970 -1.870 1
1 824 . 16 1 1 A 72 72 THR HA H 72 4.120 4.081 0.039 1
1 825 . 16 1 1 A 72 72 THR CB C 72 68.471 68.461 0.010 1
1 831 . 16 1 1 A 72 72 THR C C 72 175.849 176.664 -0.815 1
1 832 . 16 1 1 A 73 73 GLU N N 73 118.626 121.785 -3.159 1
1 833 . 16 1 1 A 73 73 GLU H H 73 7.767 7.755 0.012 1
1 834 . 16 1 1 A 73 73 GLU CA C 73 55.623 58.674 -3.051 1
1 835 . 16 1 1 A 73 73 GLU HA H 73 4.587 4.162 0.425 1
1 836 . 16 1 1 A 73 73 GLU CB C 73 30.542 29.468 1.074 1
1 842 . 16 1 1 A 73 73 GLU C C 73 177.257 179.055 -1.798 1
1 843 . 16 1 1 A 74 74 SER N N 74 114.932 115.242 -0.310 1
1 844 . 16 1 1 A 74 74 SER H H 74 7.442 7.844 -0.402 1
1 845 . 16 1 1 A 74 74 SER CA C 74 62.099 61.329 0.770 1
1 846 . 16 1 1 A 74 74 SER HA H 74 3.938 4.234 -0.296 1
1 847 . 16 1 1 A 74 74 SER CB C 74 63.067 62.570 0.497 1
1 850 . 16 1 1 A 74 74 SER C C 74 176.528 177.232 -0.704 1
1 851 . 16 1 1 A 75 75 GLU N N 75 120.907 122.517 -1.610 1
1 852 . 16 1 1 A 75 75 GLU H H 75 8.350 7.775 0.575 1
1 853 . 16 1 1 A 75 75 GLU CA C 75 59.706 59.357 0.349 1
1 854 . 16 1 1 A 75 75 GLU HA H 75 4.045 4.126 -0.081 1
1 855 . 16 1 1 A 75 75 GLU CB C 75 29.085 29.257 -0.172 1
1 861 . 16 1 1 A 75 75 GLU C C 75 179.320 179.274 0.046 1
1 862 . 16 1 1 A 76 76 ARG N N 76 121.343 119.719 1.624 1
1 863 . 16 1 1 A 76 76 ARG H H 76 7.948 7.663 0.285 1
1 864 . 16 1 1 A 76 76 ARG CA C 76 59.188 59.220 -0.032 1
1 865 . 16 1 1 A 76 76 ARG HA H 76 4.094 4.111 -0.017 1
1 866 . 16 1 1 A 76 76 ARG CB C 76 29.726 30.696 -0.970 1
1 875 . 16 1 1 A 76 76 ARG C C 76 178.373 178.463 -0.090 1
1 876 . 16 1 1 A 77 77 LEU N N 77 120.110 120.294 -0.184 1
1 877 . 16 1 1 A 77 77 LEU H H 77 8.029 8.503 -0.474 1
1 878 . 16 1 1 A 77 77 LEU CA C 77 59.809 57.949 1.860 1
1 879 . 16 1 1 A 77 77 LEU HA H 77 3.975 3.993 -0.018 1
1 880 . 16 1 1 A 77 77 LEU CB C 77 42.216 41.702 0.514 1
1 893 . 16 1 1 A 77 77 LEU C C 77 178.810 179.535 -0.725 1
1 894 . 16 1 1 A 78 78 GLN N N 78 114.090 117.151 -3.061 1
1 895 . 16 1 1 A 78 78 GLN H H 78 7.680 7.865 -0.185 1
1 896 . 16 1 1 A 78 78 GLN CA C 78 59.600 58.209 1.391 1
1 897 . 16 1 1 A 78 78 GLN HA H 78 3.915 4.127 -0.212 1
1 898 . 16 1 1 A 78 78 GLN CB C 78 30.101 28.939 1.162 1
1 907 . 16 1 1 A 78 78 GLN C C 78 178.325 177.017 1.308 1
1 908 . 16 1 1 A 79 79 ALA N N 79 119.863 122.164 -2.301 1
1 909 . 16 1 1 A 79 79 ALA H H 79 7.900 7.805 0.095 1
1 910 . 16 1 1 A 79 79 ALA CA C 79 54.321 53.405 0.916 1
1 911 . 16 1 1 A 79 79 ALA HA H 79 4.255 4.432 -0.177 1
1 912 . 16 1 1 A 79 79 ALA CB C 79 18.596 19.396 -0.800 1
1 916 . 16 1 1 A 79 79 ALA C C 79 179.514 178.788 0.726 1
1 917 . 16 1 1 A 80 80 GLU N N 80 115.847 115.595 0.252 1
1 918 . 16 1 1 A 80 80 GLU H H 80 7.773 7.799 -0.026 1
1 919 . 16 1 1 A 80 80 GLU CA C 80 57.312 57.452 -0.140 1
1 920 . 16 1 1 A 80 80 GLU HA H 80 4.286 4.425 -0.139 1
1 921 . 16 1 1 A 80 80 GLU CB C 80 31.095 30.257 0.838 1
1 927 . 16 1 1 A 80 80 GLU C C 80 176.965 176.980 -0.015 1
1 928 . 16 1 1 A 81 81 TRP N N 81 122.132 123.315 -1.183 1
1 929 . 16 1 1 A 81 81 TRP H H 81 7.661 7.499 0.162 1
1 930 . 16 1 1 A 81 81 TRP CA C 81 58.641 57.783 0.858 1
1 931 . 16 1 1 A 81 81 TRP HA H 81 4.261 4.625 -0.364 1
1 932 . 16 1 1 A 81 81 TRP CB C 81 29.118 29.456 -0.338 1
1 947 . 16 1 1 A 81 81 TRP C C 81 174.611 175.448 -0.837 1
1 948 . 16 1 1 A 82 82 HIS CA C 82 54.101 54.473 -0.372 1
1 949 . 16 1 1 A 82 82 HIS HA H 82 4.727 4.837 -0.110 1
1 950 . 16 1 1 A 82 82 HIS CB C 82 30.847 33.715 -2.868 1
1 957 . 16 1 1 A 83 83 ASP CA C 83 54.997 54.812 0.185 1
1 958 . 16 1 1 A 83 83 ASP HA H 83 4.342 4.088 0.254 1
1 959 . 16 1 1 A 83 83 ASP CB C 83 40.395 39.480 0.915 1
1 962 . 16 1 1 A 83 83 ASP C C 83 174.198 174.639 -0.441 1
1 963 . 16 1 1 A 84 84 SER N N 84 111.986 110.418 1.568 1
1 964 . 16 1 1 A 84 84 SER H H 84 7.863 7.482 0.381 1
1 965 . 16 1 1 A 84 84 SER CA C 84 56.714 55.896 0.818 1
1 966 . 16 1 1 A 84 84 SER HA H 84 4.584 4.859 -0.275 1
1 967 . 16 1 1 A 84 84 SER CB C 84 64.374 66.313 -1.939 1
1 970 . 16 1 1 A 84 84 SER C C 84 174.489 173.974 0.515 1
1 971 . 16 1 1 A 85 85 ASP N N 85 125.547 123.399 2.148 1
1 972 . 16 1 1 A 85 85 ASP H H 85 9.268 8.465 0.803 1
1 973 . 16 1 1 A 85 85 ASP CA C 85 55.447 55.986 -0.539 1
1 974 . 16 1 1 A 85 85 ASP HA H 85 4.704 4.680 0.024 1
1 975 . 16 1 1 A 85 85 ASP CB C 85 40.980 41.581 -0.601 1
1 978 . 16 1 1 A 85 85 ASP C C 85 177.038 176.838 0.200 1
1 979 . 16 1 1 A 86 86 TRP N N 86 121.831 119.867 1.964 1
1 980 . 16 1 1 A 86 86 TRP H H 86 9.345 8.103 1.242 1
1 981 . 16 1 1 A 86 86 TRP CA C 86 56.967 57.919 -0.952 1
1 982 . 16 1 1 A 86 86 TRP HA H 86 5.091 4.822 0.269 1
1 983 . 16 1 1 A 86 86 TRP CB C 86 29.118 30.707 -1.589 1
1 998 . 16 1 1 A 86 86 TRP C C 86 176.723 177.104 -0.381 1
1 999 . 16 1 1 A 87 87 ILE N N 87 123.116 121.741 1.375 1
1 1000 . 16 1 1 A 87 87 ILE H H 87 8.965 8.723 0.242 1
1 1001 . 16 1 1 A 87 87 ILE CA C 87 60.595 59.905 0.690 1
1 1002 . 16 1 1 A 87 87 ILE HA H 87 4.462 4.887 -0.425 1
1 1003 . 16 1 1 A 87 87 ILE CB C 87 40.354 39.601 0.753 1
1 1016 . 16 1 1 A 87 87 ILE C C 87 175.824 174.085 1.739 1
1 1017 . 16 1 1 A 88 88 LEU N N 88 134.475 130.644 3.831 1
1 1018 . 16 1 1 A 88 88 LEU H H 88 8.736 9.041 -0.305 1
1 1019 . 16 1 1 A 88 88 LEU CA C 88 53.763 53.458 0.305 1
1 1020 . 16 1 1 A 88 88 LEU HA H 88 5.163 4.787 0.376 1
1 1021 . 16 1 1 A 88 88 LEU CB C 88 43.020 43.547 -0.527 1
1 1034 . 16 1 1 A 88 88 LEU C C 88 175.824 174.800 1.024 1
1 1035 . 16 1 1 A 89 89 SER N N 89 122.016 120.433 1.583 1
1 1036 . 16 1 1 A 89 89 SER H H 89 9.152 8.934 0.218 1
1 1037 . 16 1 1 A 89 89 SER CA C 89 57.242 56.550 0.692 1
1 1038 . 16 1 1 A 89 89 SER HA H 89 4.739 5.256 -0.517 1
1 1039 . 16 1 1 A 89 89 SER CB C 89 65.526 66.627 -1.101 1
1 1042 . 16 1 1 A 89 89 SER C C 89 171.989 172.146 -0.157 1
1 1043 . 16 1 1 A 90 90 VAL N N 90 119.844 122.132 -2.288 1
1 1044 . 16 1 1 A 90 90 VAL H H 90 8.220 8.728 -0.508 1
1 1045 . 16 1 1 A 90 90 VAL CA C 90 59.143 59.144 -0.001 1
1 1046 . 16 1 1 A 90 90 VAL HA H 90 4.604 4.579 0.025 1
1 1047 . 16 1 1 A 90 90 VAL CB C 90 33.056 32.883 0.173 1
1 1057 . 16 1 1 A 90 90 VAL C C 90 174.198 174.745 -0.547 1
1 1058 . 16 1 1 A 91 91 PRO CA C 91 63.467 62.098 1.369 1
1 1059 . 16 1 1 A 91 91 PRO HA H 91 4.329 4.662 -0.333 1
1 1060 . 16 1 1 A 91 91 PRO CB C 91 32.003 32.654 -0.651 1
1 1069 . 16 1 1 A 91 91 PRO C C 91 175.557 176.929 -1.372 1
1 1 . 17 1 1 A 6 6 SER CA C 6 58.720 58.582 0.138 1
1 2 . 17 1 1 A 6 6 SER HA H 6 4.456 4.714 -0.258 1
1 3 . 17 1 1 A 6 6 SER CB C 6 63.880 64.305 -0.425 1
1 6 . 17 1 1 A 6 6 SER C C 6 174.951 174.420 0.531 1
1 7 . 17 1 1 A 7 7 GLY N N 7 110.558 109.081 1.477 1
1 8 . 17 1 1 A 7 7 GLY H H 7 8.377 7.939 0.438 1
1 9 . 17 1 1 A 7 7 GLY CA C 7 45.205 45.030 0.175 1
1 10 . 17 1 1 A 7 7 GLY HA2 H 7 3.879 4.094 -0.215 1
1 11 . 17 1 1 A 7 7 GLY HA3 H 7 3.910 4.121 -0.211 1
1 12 . 17 1 1 A 7 7 GLY C C 7 173.615 171.907 1.708 1
1 13 . 17 1 1 A 8 8 PHE N N 8 119.857 120.088 -0.231 1
1 14 . 17 1 1 A 8 8 PHE H H 8 8.062 8.400 -0.338 1
1 15 . 17 1 1 A 8 8 PHE CA C 8 57.418 57.775 -0.357 1
1 16 . 17 1 1 A 8 8 PHE HA H 8 4.624 5.113 -0.489 1
1 17 . 17 1 1 A 8 8 PHE CB C 8 39.749 42.185 -2.436 1
1 30 . 17 1 1 A 8 8 PHE C C 8 175.242 172.883 2.359 1
1 31 . 17 1 1 A 9 9 GLU N N 9 124.807 124.469 0.338 1
1 32 . 17 1 1 A 9 9 GLU H H 9 8.311 8.657 -0.346 1
1 33 . 17 1 1 A 9 9 GLU CA C 9 54.034 52.936 1.098 1
1 34 . 17 1 1 A 9 9 GLU HA H 9 4.546 5.048 -0.502 1
1 35 . 17 1 1 A 9 9 GLU CB C 9 29.859 31.043 -1.184 1
1 40 . 17 1 1 A 9 9 GLU C C 9 174.125 175.211 -1.086 1
1 41 . 17 1 1 A 10 10 PRO CA C 10 63.366 62.746 0.620 1
1 42 . 17 1 1 A 10 10 PRO HA H 10 4.334 4.736 -0.402 1
1 43 . 17 1 1 A 10 10 PRO CB C 10 32.033 32.775 -0.742 1
1 52 . 17 1 1 A 10 10 PRO C C 10 177.062 176.963 0.099 1
1 53 . 17 1 1 A 11 11 ARG N N 11 120.726 120.423 0.303 1
1 54 . 17 1 1 A 11 11 ARG H H 11 8.477 9.127 -0.650 1
1 55 . 17 1 1 A 11 11 ARG CA C 11 56.175 57.105 -0.930 1
1 56 . 17 1 1 A 11 11 ARG HA H 11 4.318 4.079 0.239 1
1 57 . 17 1 1 A 11 11 ARG CB C 11 30.831 30.080 0.751 1
1 66 . 17 1 1 A 11 11 ARG C C 11 176.455 176.407 0.048 1
1 67 . 17 1 1 A 12 12 SER N N 12 116.599 114.628 1.971 1
1 68 . 17 1 1 A 12 12 SER H H 12 8.289 8.823 -0.534 1
1 69 . 17 1 1 A 12 12 SER CA C 12 58.330 59.230 -0.900 1
1 70 . 17 1 1 A 12 12 SER HA H 12 4.396 4.042 0.354 1
1 71 . 17 1 1 A 12 12 SER CB C 12 63.633 61.860 1.773 1
1 74 . 17 1 1 A 12 12 SER C C 12 174.465 172.728 1.737 1
1 75 . 17 1 1 A 13 13 LEU N N 13 124.186 119.932 4.254 1
1 76 . 17 1 1 A 13 13 LEU H H 13 8.275 7.696 0.579 1
1 77 . 17 1 1 A 13 13 LEU CA C 13 55.306 53.980 1.326 1
1 78 . 17 1 1 A 13 13 LEU HA H 13 4.361 4.982 -0.621 1
1 79 . 17 1 1 A 13 13 LEU CB C 13 42.350 44.269 -1.919 1
1 92 . 17 1 1 A 13 13 LEU C C 13 177.184 175.320 1.864 1
1 93 . 17 1 1 A 14 14 ILE N N 14 121.445 121.080 0.365 1
1 94 . 17 1 1 A 14 14 ILE H H 14 8.106 8.908 -0.802 1
1 95 . 17 1 1 A 14 14 ILE CA C 14 61.248 58.776 2.472 1
1 96 . 17 1 1 A 14 14 ILE HA H 14 4.202 5.117 -0.915 1
1 97 . 17 1 1 A 14 14 ILE CB C 14 38.555 42.575 -4.020 1
1 110 . 17 1 1 A 14 14 ILE C C 14 176.528 174.286 2.242 1
1 111 . 17 1 1 A 15 15 THR N N 15 118.053 111.540 6.513 1
1 112 . 17 1 1 A 15 15 THR H H 15 8.226 8.675 -0.449 1
1 113 . 17 1 1 A 15 15 THR CA C 15 61.573 59.807 1.766 1
1 114 . 17 1 1 A 15 15 THR HA H 15 4.401 5.154 -0.753 1
1 115 . 17 1 1 A 15 15 THR CB C 15 69.795 72.467 -2.672 1
1 121 . 17 1 1 A 15 15 THR C C 15 174.538 172.541 1.997 1
1 122 . 17 1 1 A 16 16 SER N N 16 117.877 114.157 3.720 1
1 123 . 17 1 1 A 16 16 SER H H 16 8.272 8.797 -0.525 1
1 124 . 17 1 1 A 16 16 SER CA C 16 55.830 56.838 -1.008 1
1 125 . 17 1 1 A 16 16 SER HA H 16 4.448 5.380 -0.932 1
1 126 . 17 1 1 A 16 16 SER CB C 16 63.880 67.130 -3.250 1
1 129 . 17 1 1 A 16 16 SER C C 16 174.247 172.489 1.758 1
1 130 . 17 1 1 A 17 17 ASP N N 17 122.892 120.144 2.748 1
1 131 . 17 1 1 A 17 17 ASP H H 17 8.425 8.813 -0.388 1
1 132 . 17 1 1 A 17 17 ASP CA C 17 54.461 53.055 1.406 1
1 133 . 17 1 1 A 17 17 ASP HA H 17 4.611 5.564 -0.953 1
1 134 . 17 1 1 A 17 17 ASP CB C 17 41.340 44.855 -3.515 1
1 137 . 17 1 1 A 17 17 ASP C C 17 176.358 175.278 1.080 1
1 138 . 17 1 1 A 18 18 LYS N N 18 121.459 120.337 1.122 1
1 139 . 17 1 1 A 18 18 LYS H H 18 8.349 8.493 -0.144 1
1 140 . 17 1 1 A 18 18 LYS CA C 18 56.526 55.094 1.432 1
1 141 . 17 1 1 A 18 18 LYS HA H 18 4.356 5.004 -0.648 1
1 142 . 17 1 1 A 18 18 LYS CB C 18 32.744 34.305 -1.561 1
1 152 . 17 1 1 A 18 18 LYS C C 18 177.305 175.987 1.318 1
1 153 . 17 1 1 A 19 19 GLY N N 19 109.072 110.475 -1.403 1
1 154 . 17 1 1 A 19 19 GLY H H 19 8.533 8.524 0.009 1
1 155 . 17 1 1 A 19 19 GLY CA C 19 45.451 46.259 -0.808 1
1 156 . 17 1 1 A 19 19 GLY HA2 H 19 3.884 4.119 -0.235 1
1 157 . 17 1 1 A 19 19 GLY HA3 H 19 3.960 4.154 -0.194 1
1 158 . 17 1 1 A 19 19 GLY C C 19 174.028 173.559 0.469 1
1 159 . 17 1 1 A 20 20 PHE N N 20 119.395 118.252 1.143 1
1 160 . 17 1 1 A 20 20 PHE H H 20 8.014 8.390 -0.376 1
1 161 . 17 1 1 A 20 20 PHE CA C 20 56.992 56.667 0.325 1
1 162 . 17 1 1 A 20 20 PHE HA H 20 5.166 5.313 -0.147 1
1 163 . 17 1 1 A 20 20 PHE CB C 20 43.122 42.897 0.225 1
1 176 . 17 1 1 A 20 20 PHE C C 20 174.247 174.081 0.166 1
1 177 . 17 1 1 A 21 21 VAL N N 21 119.613 120.499 -0.886 1
1 178 . 17 1 1 A 21 21 VAL H H 21 9.282 9.121 0.161 1
1 179 . 17 1 1 A 21 21 VAL CA C 21 60.286 60.036 0.250 1
1 180 . 17 1 1 A 21 21 VAL HA H 21 4.403 4.980 -0.577 1
1 181 . 17 1 1 A 21 21 VAL CB C 21 35.624 35.972 -0.348 1
1 191 . 17 1 1 A 21 21 VAL C C 21 174.077 173.757 0.320 1
1 192 . 17 1 1 A 22 22 THR N N 22 123.150 122.028 1.122 1
1 193 . 17 1 1 A 22 22 THR H H 22 8.226 8.718 -0.492 1
1 194 . 17 1 1 A 22 22 THR CA C 22 61.672 61.800 -0.128 1
1 195 . 17 1 1 A 22 22 THR HA H 22 5.214 5.100 0.114 1
1 196 . 17 1 1 A 22 22 THR CB C 22 69.636 70.438 -0.802 1
1 202 . 17 1 1 A 22 22 THR C C 22 174.319 173.763 0.556 1
1 203 . 17 1 1 A 23 23 MET N N 23 125.701 123.631 2.070 1
1 204 . 17 1 1 A 23 23 MET H H 23 9.254 9.178 0.076 1
1 205 . 17 1 1 A 23 23 MET CA C 23 54.250 54.251 -0.001 1
1 206 . 17 1 1 A 23 23 MET HA H 23 4.680 5.158 -0.478 1
1 207 . 17 1 1 A 23 23 MET CB C 23 34.967 36.900 -1.933 1
1 217 . 17 1 1 A 23 23 MET C C 23 174.028 174.470 -0.442 1
1 218 . 17 1 1 A 24 24 THR N N 24 109.251 114.516 -5.265 1
1 219 . 17 1 1 A 24 24 THR H H 24 8.410 8.433 -0.023 1
1 220 . 17 1 1 A 24 24 THR CA C 24 59.952 61.175 -1.223 1
1 221 . 17 1 1 A 24 24 THR HA H 24 4.838 4.844 -0.006 1
1 222 . 17 1 1 A 24 24 THR CB C 24 71.427 72.544 -1.117 1
1 228 . 17 1 1 A 24 24 THR C C 24 172.353 172.758 -0.405 1
1 229 . 17 1 1 A 25 25 LEU N N 25 125.384 126.794 -1.410 1
1 230 . 17 1 1 A 25 25 LEU H H 25 8.901 9.059 -0.158 1
1 231 . 17 1 1 A 25 25 LEU CA C 25 53.373 53.483 -0.110 1
1 232 . 17 1 1 A 25 25 LEU HA H 25 5.333 5.250 0.083 1
1 233 . 17 1 1 A 25 25 LEU CB C 25 45.607 46.704 -1.097 1
1 246 . 17 1 1 A 25 25 LEU C C 25 175.606 174.248 1.358 1
1 247 . 17 1 1 A 26 26 GLU N N 26 125.482 125.657 -0.175 1
1 248 . 17 1 1 A 26 26 GLU H H 26 9.147 9.064 0.083 1
1 249 . 17 1 1 A 26 26 GLU CA C 26 56.010 54.614 1.396 1
1 250 . 17 1 1 A 26 26 GLU HA H 26 4.922 5.035 -0.113 1
1 251 . 17 1 1 A 26 26 GLU CB C 26 33.588 32.816 0.772 1
1 257 . 17 1 1 A 26 26 GLU C C 26 175.387 175.634 -0.247 1
1 258 . 17 1 1 A 27 27 SER N N 27 118.827 120.774 -1.947 1
1 259 . 17 1 1 A 27 27 SER H H 27 8.432 9.286 -0.854 1
1 260 . 17 1 1 A 27 27 SER CA C 27 55.236 57.517 -2.281 1
1 261 . 17 1 1 A 27 27 SER HA H 27 3.720 4.198 -0.478 1
1 262 . 17 1 1 A 27 27 SER CB C 27 63.703 64.414 -0.711 1
1 265 . 17 1 1 A 27 27 SER C C 27 173.980 174.914 -0.934 1
1 266 . 17 1 1 A 28 28 LEU N N 28 121.319 122.926 -1.607 1
1 267 . 17 1 1 A 28 28 LEU H H 28 7.990 8.116 -0.126 1
1 268 . 17 1 1 A 28 28 LEU CA C 28 55.887 56.228 -0.341 1
1 269 . 17 1 1 A 28 28 LEU HA H 28 4.071 4.151 -0.080 1
1 270 . 17 1 1 A 28 28 LEU CB C 28 42.184 42.506 -0.322 1
1 283 . 17 1 1 A 28 28 LEU C C 28 177.159 176.616 0.543 1
1 284 . 17 1 1 A 29 29 GLU N N 29 115.740 115.907 -0.167 1
1 285 . 17 1 1 A 29 29 GLU H H 29 7.458 7.493 -0.035 1
1 286 . 17 1 1 A 29 29 GLU CA C 29 53.658 54.831 -1.173 1
1 287 . 17 1 1 A 29 29 GLU HA H 29 4.444 4.549 -0.105 1
1 288 . 17 1 1 A 29 29 GLU CB C 29 33.209 33.693 -0.484 1
1 294 . 17 1 1 A 29 29 GLU C C 29 174.417 175.064 -0.647 1
1 295 . 17 1 1 A 30 30 GLU N N 30 122.052 121.033 1.019 1
1 296 . 17 1 1 A 30 30 GLU H H 30 8.500 8.409 0.091 1
1 297 . 17 1 1 A 30 30 GLU CA C 30 57.621 57.364 0.257 1
1 298 . 17 1 1 A 30 30 GLU HA H 30 4.297 4.320 -0.023 1
1 299 . 17 1 1 A 30 30 GLU CB C 30 30.403 30.472 -0.069 1
1 305 . 17 1 1 A 30 30 GLU C C 30 177.087 176.537 0.550 1
1 306 . 17 1 1 A 31 31 ILE N N 31 120.377 117.938 2.439 1
1 307 . 17 1 1 A 31 31 ILE H H 31 8.828 8.469 0.359 1
1 308 . 17 1 1 A 31 31 ILE CA C 31 59.741 58.517 1.224 1
1 309 . 17 1 1 A 31 31 ILE HA H 31 4.680 4.737 -0.057 1
1 310 . 17 1 1 A 31 31 ILE CB C 31 40.845 41.283 -0.438 1
1 323 . 17 1 1 A 31 31 ILE C C 31 175.776 176.963 -1.187 1
1 324 . 17 1 1 A 32 32 GLN N N 32 119.444 121.936 -2.492 1
1 325 . 17 1 1 A 32 32 GLN H H 32 8.668 8.597 0.071 1
1 326 . 17 1 1 A 32 32 GLN CA C 32 57.277 58.860 -1.583 1
1 327 . 17 1 1 A 32 32 GLN HA H 32 4.302 4.135 0.167 1
1 328 . 17 1 1 A 32 32 GLN CB C 32 30.079 29.436 0.643 1
1 337 . 17 1 1 A 32 32 GLN C C 32 175.824 175.457 0.367 1
1 338 . 17 1 1 A 33 33 ASP N N 33 113.908 115.710 -1.802 1
1 339 . 17 1 1 A 33 33 ASP H H 33 7.684 7.908 -0.224 1
1 340 . 17 1 1 A 33 33 ASP CA C 33 53.441 53.387 0.054 1
1 341 . 17 1 1 A 33 33 ASP HA H 33 4.754 4.911 -0.157 1
1 342 . 17 1 1 A 33 33 ASP CB C 33 43.727 43.620 0.107 1
1 345 . 17 1 1 A 33 33 ASP C C 33 175.824 175.878 -0.054 1
1 346 . 17 1 1 A 34 34 VAL N N 34 114.196 123.563 -9.367 1
1 347 . 17 1 1 A 34 34 VAL H H 34 8.640 8.784 -0.144 1
1 348 . 17 1 1 A 34 34 VAL CA C 34 64.836 65.040 -0.204 1
1 349 . 17 1 1 A 34 34 VAL HA H 34 3.910 3.895 0.015 1
1 350 . 17 1 1 A 34 34 VAL CB C 34 31.539 31.429 0.110 1
1 360 . 17 1 1 A 34 34 VAL C C 34 177.669 178.092 -0.423 1
1 361 . 17 1 1 A 35 35 SER N N 35 120.001 116.602 3.399 1
1 362 . 17 1 1 A 35 35 SER H H 35 9.274 8.562 0.712 1
1 363 . 17 1 1 A 35 35 SER CA C 35 62.276 61.553 0.723 1
1 364 . 17 1 1 A 35 35 SER HA H 35 4.448 4.494 -0.046 1
1 365 . 17 1 1 A 35 35 SER CB C 35 62.255 62.421 -0.166 1
1 368 . 17 1 1 A 35 35 SER C C 35 177.305 176.926 0.379 1
1 369 . 17 1 1 A 36 36 CYS N N 36 120.840 120.983 -0.143 1
1 370 . 17 1 1 A 36 36 CYS H H 36 7.894 8.229 -0.335 1
1 371 . 17 1 1 A 36 36 CYS CA C 36 62.416 62.224 0.192 1
1 372 . 17 1 1 A 36 36 CYS HA H 36 4.310 4.237 0.073 1
1 373 . 17 1 1 A 36 36 CYS CB C 36 28.189 26.796 1.393 1
1 376 . 17 1 1 A 36 36 CYS C C 36 177.257 177.013 0.244 1
1 377 . 17 1 1 A 37 37 ALA N N 37 122.247 122.036 0.211 1
1 378 . 17 1 1 A 37 37 ALA H H 37 7.343 8.270 -0.927 1
1 379 . 17 1 1 A 37 37 ALA CA C 37 54.145 55.361 -1.216 1
1 380 . 17 1 1 A 37 37 ALA HA H 37 3.546 3.849 -0.303 1
1 381 . 17 1 1 A 37 37 ALA CB C 37 20.009 18.585 1.424 1
1 385 . 17 1 1 A 37 37 ALA C C 37 178.883 179.947 -1.064 1
1 386 . 17 1 1 A 38 38 TRP N N 38 117.352 118.941 -1.589 1
1 387 . 17 1 1 A 38 38 TRP H H 38 7.937 8.664 -0.727 1
1 388 . 17 1 1 A 38 38 TRP CA C 38 60.600 59.823 0.777 1
1 389 . 17 1 1 A 38 38 TRP HA H 38 4.276 4.482 -0.206 1
1 390 . 17 1 1 A 38 38 TRP CB C 38 29.693 28.738 0.955 1
1 405 . 17 1 1 A 38 38 TRP C C 38 178.664 179.332 -0.668 1
1 406 . 17 1 1 A 39 39 LYS N N 39 117.638 118.671 -1.033 1
1 407 . 17 1 1 A 39 39 LYS H H 39 8.102 8.203 -0.101 1
1 408 . 17 1 1 A 39 39 LYS CA C 39 60.009 59.510 0.499 1
1 409 . 17 1 1 A 39 39 LYS HA H 39 4.031 3.986 0.045 1
1 410 . 17 1 1 A 39 39 LYS CB C 39 32.471 32.553 -0.082 1
1 421 . 17 1 1 A 39 39 LYS C C 39 178.713 178.813 -0.100 1
1 422 . 17 1 1 A 40 40 GLU N N 40 120.486 120.134 0.352 1
1 423 . 17 1 1 A 40 40 GLU H H 40 6.821 8.088 -1.267 1
1 424 . 17 1 1 A 40 40 GLU CA C 40 58.486 59.112 -0.626 1
1 425 . 17 1 1 A 40 40 GLU HA H 40 4.350 4.056 0.294 1
1 426 . 17 1 1 A 40 40 GLU CB C 40 28.459 29.259 -0.800 1
1 432 . 17 1 1 A 40 40 GLU C C 40 178.543 178.702 -0.159 1
1 433 . 17 1 1 A 41 41 LEU N N 41 119.356 120.286 -0.930 1
1 434 . 17 1 1 A 41 41 LEU H H 41 8.291 8.368 -0.077 1
1 435 . 17 1 1 A 41 41 LEU CA C 41 59.002 57.824 1.178 1
1 436 . 17 1 1 A 41 41 LEU HA H 41 3.947 4.093 -0.146 1
1 437 . 17 1 1 A 41 41 LEU CB C 41 41.914 41.692 0.222 1
1 450 . 17 1 1 A 41 41 LEU C C 41 178.106 179.600 -1.494 1
1 451 . 17 1 1 A 42 42 ASN N N 42 113.310 117.114 -3.804 1
1 452 . 17 1 1 A 42 42 ASN H H 42 8.350 8.684 -0.334 1
1 453 . 17 1 1 A 42 42 ASN CA C 42 55.623 56.519 -0.896 1
1 454 . 17 1 1 A 42 42 ASN HA H 42 4.420 4.533 -0.113 1
1 455 . 17 1 1 A 42 42 ASN CB C 42 39.318 37.848 1.470 1
1 461 . 17 1 1 A 42 42 ASN C C 42 176.820 178.179 -1.359 1
1 462 . 17 1 1 A 43 43 ARG N N 43 117.734 119.644 -1.910 1
1 463 . 17 1 1 A 43 43 ARG H H 43 7.578 7.732 -0.154 1
1 464 . 17 1 1 A 43 43 ARG CA C 43 58.301 58.240 0.061 1
1 465 . 17 1 1 A 43 43 ARG HA H 43 4.227 4.180 0.047 1
1 466 . 17 1 1 A 43 43 ARG CB C 43 31.361 30.333 1.028 1
1 475 . 17 1 1 A 43 43 ARG C C 43 178.106 177.247 0.859 1
1 476 . 17 1 1 A 44 44 LYS N N 44 115.502 117.047 -1.545 1
1 477 . 17 1 1 A 44 44 LYS H H 44 7.365 7.646 -0.281 1
1 478 . 17 1 1 A 44 44 LYS CA C 44 55.367 55.632 -0.265 1
1 479 . 17 1 1 A 44 44 LYS HA H 44 4.280 4.446 -0.166 1
1 480 . 17 1 1 A 44 44 LYS CB C 44 34.289 34.266 0.023 1
1 491 . 17 1 1 A 44 44 LYS C C 44 176.504 175.660 0.844 1
1 492 . 17 1 1 A 45 45 LEU N N 45 118.486 120.716 -2.230 1
1 493 . 17 1 1 A 45 45 LEU H H 45 7.977 7.421 0.556 1
1 494 . 17 1 1 A 45 45 LEU CA C 45 53.335 53.203 0.132 1
1 495 . 17 1 1 A 45 45 LEU HA H 45 4.882 4.858 0.024 1
1 496 . 17 1 1 A 45 45 LEU CB C 45 45.307 45.409 -0.102 1
1 509 . 17 1 1 A 45 45 LEU C C 45 176.771 176.306 0.465 1
1 510 . 17 1 1 A 46 46 SER N N 46 116.809 117.694 -0.885 1
1 511 . 17 1 1 A 46 46 SER H H 46 9.074 8.848 0.226 1
1 512 . 17 1 1 A 46 46 SER CA C 46 57.981 58.279 -0.298 1
1 513 . 17 1 1 A 46 46 SER HA H 46 4.407 4.534 -0.127 1
1 514 . 17 1 1 A 46 46 SER CB C 46 64.496 64.043 0.453 1
1 517 . 17 1 1 A 46 46 SER C C 46 175.387 175.556 -0.169 1
1 518 . 17 1 1 A 47 47 SER N N 47 117.511 119.686 -2.175 1
1 519 . 17 1 1 A 47 47 SER H H 47 8.955 8.978 -0.023 1
1 520 . 17 1 1 A 47 47 SER CA C 47 61.523 61.653 -0.130 1
1 521 . 17 1 1 A 47 47 SER HA H 47 4.197 4.088 0.109 1
1 522 . 17 1 1 A 47 47 SER CB C 47 62.412 62.657 -0.245 1
1 525 . 17 1 1 A 48 48 ASN H H 48 8.475 7.935 0.540 1
1 526 . 17 1 1 A 48 48 ASN CA C 48 56.327 55.903 0.424 1
1 527 . 17 1 1 A 48 48 ASN HA H 48 4.421 4.495 -0.074 1
1 528 . 17 1 1 A 48 48 ASN CB C 48 38.635 38.778 -0.143 1
1 534 . 17 1 1 A 48 48 ASN C C 48 177.232 177.138 0.094 1
1 535 . 17 1 1 A 49 49 ALA N N 49 123.504 121.614 1.890 1
1 536 . 17 1 1 A 49 49 ALA H H 49 7.837 8.158 -0.321 1
1 537 . 17 1 1 A 49 49 ALA CA C 49 55.271 55.184 0.087 1
1 538 . 17 1 1 A 49 49 ALA HA H 49 4.171 4.030 0.141 1
1 539 . 17 1 1 A 49 49 ALA CB C 49 19.301 18.562 0.739 1
1 543 . 17 1 1 A 49 49 ALA C C 49 179.830 180.023 -0.193 1
1 544 . 17 1 1 A 50 50 VAL N N 50 115.694 117.057 -1.363 1
1 545 . 17 1 1 A 50 50 VAL H H 50 8.069 8.370 -0.301 1
1 546 . 17 1 1 A 50 50 VAL CA C 50 65.728 64.998 0.730 1
1 547 . 17 1 1 A 50 50 VAL HA H 50 3.645 3.748 -0.103 1
1 548 . 17 1 1 A 50 50 VAL CB C 50 31.836 31.272 0.564 1
1 558 . 17 1 1 A 50 50 VAL C C 50 178.567 177.606 0.961 1
1 559 . 17 1 1 A 51 51 SER N N 51 114.048 116.287 -2.239 1
1 560 . 17 1 1 A 51 51 SER H H 51 7.849 8.257 -0.408 1
1 561 . 17 1 1 A 51 51 SER CA C 51 60.756 61.121 -0.365 1
1 562 . 17 1 1 A 51 51 SER HA H 51 4.334 4.286 0.048 1
1 563 . 17 1 1 A 51 51 SER CB C 51 63.383 62.640 0.743 1
1 565 . 17 1 1 A 51 51 SER C C 51 174.635 177.060 -2.425 1
1 566 . 17 1 1 A 52 52 GLN N N 52 118.482 119.208 -0.726 1
1 567 . 17 1 1 A 52 52 GLN H H 52 7.564 7.799 -0.235 1
1 568 . 17 1 1 A 52 52 GLN CA C 52 55.306 58.117 -2.811 1
1 569 . 17 1 1 A 52 52 GLN HA H 52 4.389 4.315 0.074 1
1 570 . 17 1 1 A 52 52 GLN CB C 52 29.217 28.942 0.275 1
1 579 . 17 1 1 A 52 52 GLN C C 52 175.315 177.085 -1.770 1
1 580 . 17 1 1 A 53 53 ILE N N 53 119.847 122.156 -2.309 1
1 581 . 17 1 1 A 53 53 ILE H H 53 7.281 7.024 0.257 1
1 582 . 17 1 1 A 53 53 ILE CA C 53 62.903 62.140 0.763 1
1 583 . 17 1 1 A 53 53 ILE HA H 53 4.417 3.760 0.657 1
1 584 . 17 1 1 A 53 53 ILE CB C 53 38.124 37.234 0.890 1
1 597 . 17 1 1 A 53 53 ILE C C 53 176.383 175.091 1.292 1
1 598 . 17 1 1 A 54 54 THR N N 54 120.582 121.431 -0.849 1
1 599 . 17 1 1 A 54 54 THR H H 54 9.046 8.954 0.092 1
1 600 . 17 1 1 A 54 54 THR CA C 54 59.846 59.764 0.082 1
1 601 . 17 1 1 A 54 54 THR HA H 54 4.834 4.842 -0.008 1
1 602 . 17 1 1 A 54 54 THR CB C 54 71.904 71.791 0.113 1
1 608 . 17 1 1 A 54 54 THR C C 54 172.135 173.854 -1.719 1
1 609 . 17 1 1 A 55 55 ARG N N 55 118.375 122.392 -4.017 1
1 610 . 17 1 1 A 55 55 ARG H H 55 8.511 8.799 -0.288 1
1 611 . 17 1 1 A 55 55 ARG CA C 55 57.312 57.070 0.242 1
1 612 . 17 1 1 A 55 55 ARG HA H 55 3.782 3.791 -0.009 1
1 613 . 17 1 1 A 55 55 ARG CB C 55 28.704 27.589 1.115 1
1 622 . 17 1 1 A 55 55 ARG C C 55 174.684 174.924 -0.240 1
1 623 . 17 1 1 A 56 56 MET N N 56 118.525 118.285 0.240 1
1 624 . 17 1 1 A 56 56 MET H H 56 8.279 7.950 0.329 1
1 625 . 17 1 1 A 56 56 MET CA C 56 55.799 56.180 -0.381 1
1 626 . 17 1 1 A 56 56 MET HA H 56 5.188 4.512 0.676 1
1 627 . 17 1 1 A 56 56 MET CB C 56 33.062 33.035 0.027 1
1 637 . 17 1 1 A 56 56 MET C C 56 177.572 174.943 2.629 1
1 638 . 17 1 1 A 57 57 CYS N N 57 126.541 126.349 0.192 1
1 639 . 17 1 1 A 57 57 CYS H H 57 9.340 9.066 0.274 1
1 640 . 17 1 1 A 57 57 CYS CA C 57 57.171 57.520 -0.349 1
1 641 . 17 1 1 A 57 57 CYS HA H 57 4.794 5.216 -0.422 1
1 642 . 17 1 1 A 57 57 CYS CB C 57 31.161 32.496 -1.335 1
1 645 . 17 1 1 A 57 57 CYS C C 57 173.057 173.447 -0.390 1
1 646 . 17 1 1 A 58 58 LEU N N 58 123.786 123.694 0.092 1
1 647 . 17 1 1 A 58 58 LEU H H 58 8.682 8.414 0.268 1
1 648 . 17 1 1 A 58 58 LEU CA C 58 55.975 53.755 2.220 1
1 649 . 17 1 1 A 58 58 LEU HA H 58 4.520 4.805 -0.285 1
1 650 . 17 1 1 A 58 58 LEU CB C 58 43.097 43.042 0.055 1
1 663 . 17 1 1 A 58 58 LEU C C 58 177.960 176.133 1.827 1
1 664 . 17 1 1 A 59 59 LEU N N 59 124.007 122.477 1.530 1
1 665 . 17 1 1 A 59 59 LEU H H 59 8.269 8.129 0.140 1
1 666 . 17 1 1 A 59 59 LEU CA C 59 54.156 53.153 1.003 1
1 667 . 17 1 1 A 59 59 LEU HA H 59 4.261 4.933 -0.672 1
1 668 . 17 1 1 A 59 59 LEU CB C 59 42.986 43.527 -0.541 1
1 681 . 17 1 1 A 59 59 LEU C C 59 177.645 175.953 1.692 1
1 682 . 17 1 1 A 60 60 LYS N N 60 122.593 122.353 0.240 1
1 683 . 17 1 1 A 60 60 LYS H H 60 8.458 8.560 -0.102 1
1 684 . 17 1 1 A 60 60 LYS CA C 60 58.263 58.076 0.187 1
1 685 . 17 1 1 A 60 60 LYS HA H 60 4.101 3.851 0.250 1
1 686 . 17 1 1 A 60 60 LYS CB C 60 31.732 32.038 -0.306 1
1 696 . 17 1 1 A 60 60 LYS C C 60 178.422 177.522 0.900 1
1 697 . 17 1 1 A 61 61 GLY H H 61 9.070 8.802 0.268 1
1 698 . 17 1 1 A 61 61 GLY CA C 61 45.355 45.528 -0.173 1
1 699 . 17 1 1 A 61 61 GLY HA2 H 61 3.641 3.947 -0.306 1
1 700 . 17 1 1 A 61 61 GLY HA3 H 61 4.223 3.950 0.273 1
1 701 . 17 1 1 A 61 61 GLY C C 61 173.907 174.591 -0.684 1
1 702 . 17 1 1 A 62 62 ASN N N 62 112.617 111.646 0.971 1
1 703 . 17 1 1 A 62 62 ASN H H 62 8.639 8.339 0.300 1
1 704 . 17 1 1 A 62 62 ASN CA C 62 55.115 54.691 0.424 1
1 705 . 17 1 1 A 62 62 ASN HA H 62 4.208 4.434 -0.226 1
1 706 . 17 1 1 A 62 62 ASN CB C 62 36.133 37.364 -1.231 1
1 712 . 17 1 1 A 62 62 ASN C C 62 173.810 175.117 -1.307 1
1 713 . 17 1 1 A 63 63 MET N N 63 114.254 116.697 -2.443 1
1 714 . 17 1 1 A 63 63 MET H H 63 7.967 8.142 -0.175 1
1 715 . 17 1 1 A 63 63 MET CA C 63 53.229 56.278 -3.049 1
1 716 . 17 1 1 A 63 63 MET HA H 63 4.908 4.354 0.554 1
1 717 . 17 1 1 A 63 63 MET CB C 63 29.363 31.983 -2.620 1
1 727 . 17 1 1 A 63 63 MET C C 63 175.436 176.146 -0.710 1
1 728 . 17 1 1 A 64 64 GLY N N 64 102.826 105.315 -2.489 1
1 729 . 17 1 1 A 64 64 GLY H H 64 7.039 7.476 -0.437 1
1 730 . 17 1 1 A 64 64 GLY CA C 64 45.381 45.786 -0.405 1
1 731 . 17 1 1 A 64 64 GLY HA2 H 64 4.902 4.025 0.877 1
1 732 . 17 1 1 A 64 64 GLY HA3 H 64 4.026 4.077 -0.051 1
1 733 . 17 1 1 A 64 64 GLY C C 64 171.868 171.333 0.535 1
1 734 . 17 1 1 A 65 65 VAL N N 65 110.602 115.603 -5.001 1
1 735 . 17 1 1 A 65 65 VAL H H 65 8.994 8.430 0.564 1
1 736 . 17 1 1 A 65 65 VAL CA C 65 58.892 59.148 -0.256 1
1 737 . 17 1 1 A 65 65 VAL HA H 65 5.511 5.010 0.501 1
1 738 . 17 1 1 A 65 65 VAL CB C 65 36.392 36.165 0.227 1
1 748 . 17 1 1 A 65 65 VAL C C 65 174.319 174.134 0.185 1
1 749 . 17 1 1 A 66 66 CYS N N 66 115.721 121.214 -5.493 1
1 750 . 17 1 1 A 66 66 CYS H H 66 9.175 9.212 -0.037 1
1 751 . 17 1 1 A 66 66 CYS CA C 66 54.912 56.246 -1.334 1
1 752 . 17 1 1 A 66 66 CYS HA H 66 5.590 5.372 0.218 1
1 753 . 17 1 1 A 66 66 CYS CB C 66 31.672 31.513 0.159 1
1 756 . 17 1 1 A 66 66 CYS C C 66 171.941 173.429 -1.488 1
1 757 . 17 1 1 A 67 67 PHE N N 67 114.941 118.206 -3.265 1
1 758 . 17 1 1 A 67 67 PHE H H 67 8.220 8.524 -0.304 1
1 759 . 17 1 1 A 67 67 PHE CA C 67 56.468 55.807 0.661 1
1 760 . 17 1 1 A 67 67 PHE HA H 67 4.879 5.267 -0.388 1
1 761 . 17 1 1 A 67 67 PHE CB C 67 39.366 40.943 -1.577 1
1 774 . 17 1 1 A 67 67 PHE C C 67 171.552 172.057 -0.505 1
1 775 . 17 1 1 A 68 68 ASP N N 68 119.507 119.541 -0.034 1
1 776 . 17 1 1 A 68 68 ASP H H 68 9.072 9.166 -0.094 1
1 777 . 17 1 1 A 68 68 ASP CA C 68 52.737 52.922 -0.185 1
1 778 . 17 1 1 A 68 68 ASP HA H 68 5.901 5.880 0.021 1
1 779 . 17 1 1 A 68 68 ASP CB C 68 42.545 44.475 -1.930 1
1 782 . 17 1 1 A 68 68 ASP C C 68 176.116 175.488 0.628 1
1 783 . 17 1 1 A 69 69 VAL N N 69 114.937 116.801 -1.864 1
1 784 . 17 1 1 A 69 69 VAL H H 69 8.819 8.876 -0.057 1
1 785 . 17 1 1 A 69 69 VAL CA C 69 58.051 58.009 0.042 1
1 786 . 17 1 1 A 69 69 VAL HA H 69 5.205 4.809 0.396 1
1 787 . 17 1 1 A 69 69 VAL CB C 69 35.698 34.913 0.785 1
1 797 . 17 1 1 A 69 69 VAL C C 69 173.154 173.345 -0.191 1
1 798 . 17 1 1 A 70 70 PRO CA C 70 62.946 61.294 1.652 1
1 799 . 17 1 1 A 70 70 PRO HA H 70 4.479 3.422 1.057 1
1 800 . 17 1 1 A 70 70 PRO CB C 70 32.255 32.445 -0.190 1
1 809 . 17 1 1 A 70 70 PRO C C 70 178.737 176.801 1.936 1
1 810 . 17 1 1 A 71 71 THR N N 71 119.743 114.517 5.226 1
1 811 . 17 1 1 A 71 71 THR H H 71 8.401 8.007 0.394 1
1 812 . 17 1 1 A 71 71 THR CA C 71 66.415 64.194 2.221 1
1 813 . 17 1 1 A 71 71 THR HA H 71 3.761 3.991 -0.230 1
1 814 . 17 1 1 A 71 71 THR CB C 71 68.476 68.746 -0.270 1
1 820 . 17 1 1 A 71 71 THR C C 71 176.965 175.252 1.713 1
1 821 . 17 1 1 A 72 72 THR N N 72 109.724 114.092 -4.368 1
1 822 . 17 1 1 A 72 72 THR H H 72 7.747 7.768 -0.021 1
1 823 . 17 1 1 A 72 72 THR CA C 72 64.100 63.812 0.288 1
1 824 . 17 1 1 A 72 72 THR HA H 72 4.120 4.261 -0.141 1
1 825 . 17 1 1 A 72 72 THR CB C 72 68.471 69.257 -0.786 1
1 831 . 17 1 1 A 72 72 THR C C 72 175.849 175.437 0.412 1
1 832 . 17 1 1 A 73 73 GLU N N 73 118.626 120.905 -2.279 1
1 833 . 17 1 1 A 73 73 GLU H H 73 7.767 7.420 0.347 1
1 834 . 17 1 1 A 73 73 GLU CA C 73 55.623 56.886 -1.263 1
1 835 . 17 1 1 A 73 73 GLU HA H 73 4.587 4.601 -0.014 1
1 836 . 17 1 1 A 73 73 GLU CB C 73 30.542 31.840 -1.298 1
1 842 . 17 1 1 A 73 73 GLU C C 73 177.257 178.328 -1.071 1
1 843 . 17 1 1 A 74 74 SER N N 74 114.932 115.677 -0.745 1
1 844 . 17 1 1 A 74 74 SER H H 74 7.442 8.306 -0.864 1
1 845 . 17 1 1 A 74 74 SER CA C 74 62.099 61.349 0.750 1
1 846 . 17 1 1 A 74 74 SER HA H 74 3.938 4.276 -0.338 1
1 847 . 17 1 1 A 74 74 SER CB C 74 63.067 62.551 0.516 1
1 850 . 17 1 1 A 74 74 SER C C 74 176.528 176.538 -0.010 1
1 851 . 17 1 1 A 75 75 GLU N N 75 120.907 120.790 0.117 1
1 852 . 17 1 1 A 75 75 GLU H H 75 8.350 8.501 -0.151 1
1 853 . 17 1 1 A 75 75 GLU CA C 75 59.706 59.478 0.228 1
1 854 . 17 1 1 A 75 75 GLU HA H 75 4.045 4.078 -0.033 1
1 855 . 17 1 1 A 75 75 GLU CB C 75 29.085 29.233 -0.148 1
1 861 . 17 1 1 A 75 75 GLU C C 75 179.320 178.941 0.379 1
1 862 . 17 1 1 A 76 76 ARG N N 76 121.343 119.506 1.837 1
1 863 . 17 1 1 A 76 76 ARG H H 76 7.948 7.617 0.331 1
1 864 . 17 1 1 A 76 76 ARG CA C 76 59.188 58.538 0.650 1
1 865 . 17 1 1 A 76 76 ARG HA H 76 4.094 4.197 -0.103 1
1 866 . 17 1 1 A 76 76 ARG CB C 76 29.726 29.827 -0.101 1
1 875 . 17 1 1 A 76 76 ARG C C 76 178.373 178.703 -0.330 1
1 876 . 17 1 1 A 77 77 LEU N N 77 120.110 119.569 0.541 1
1 877 . 17 1 1 A 77 77 LEU H H 77 8.029 8.423 -0.394 1
1 878 . 17 1 1 A 77 77 LEU CA C 77 59.809 57.868 1.941 1
1 879 . 17 1 1 A 77 77 LEU HA H 77 3.975 4.039 -0.064 1
1 880 . 17 1 1 A 77 77 LEU CB C 77 42.216 40.887 1.329 1
1 893 . 17 1 1 A 77 77 LEU C C 77 178.810 179.376 -0.566 1
1 894 . 17 1 1 A 78 78 GLN N N 78 114.090 116.261 -2.171 1
1 895 . 17 1 1 A 78 78 GLN H H 78 7.680 7.690 -0.010 1
1 896 . 17 1 1 A 78 78 GLN CA C 78 59.600 58.544 1.056 1
1 897 . 17 1 1 A 78 78 GLN HA H 78 3.915 4.188 -0.273 1
1 898 . 17 1 1 A 78 78 GLN CB C 78 30.101 28.376 1.725 1
1 907 . 17 1 1 A 78 78 GLN C C 78 178.325 177.734 0.591 1
1 908 . 17 1 1 A 79 79 ALA N N 79 119.863 122.943 -3.080 1
1 909 . 17 1 1 A 79 79 ALA H H 79 7.900 7.988 -0.088 1
1 910 . 17 1 1 A 79 79 ALA CA C 79 54.321 54.253 0.068 1
1 911 . 17 1 1 A 79 79 ALA HA H 79 4.255 4.309 -0.054 1
1 912 . 17 1 1 A 79 79 ALA CB C 79 18.596 18.771 -0.175 1
1 916 . 17 1 1 A 79 79 ALA C C 79 179.514 179.362 0.152 1
1 917 . 17 1 1 A 80 80 GLU N N 80 115.847 115.898 -0.051 1
1 918 . 17 1 1 A 80 80 GLU H H 80 7.773 7.867 -0.094 1
1 919 . 17 1 1 A 80 80 GLU CA C 80 57.312 58.310 -0.998 1
1 920 . 17 1 1 A 80 80 GLU HA H 80 4.286 4.324 -0.038 1
1 921 . 17 1 1 A 80 80 GLU CB C 80 31.095 29.959 1.136 1
1 927 . 17 1 1 A 80 80 GLU C C 80 176.965 177.291 -0.326 1
1 928 . 17 1 1 A 81 81 TRP N N 81 122.132 122.999 -0.867 1
1 929 . 17 1 1 A 81 81 TRP H H 81 7.661 7.367 0.294 1
1 930 . 17 1 1 A 81 81 TRP CA C 81 58.641 56.260 2.381 1
1 931 . 17 1 1 A 81 81 TRP HA H 81 4.261 4.787 -0.526 1
1 932 . 17 1 1 A 81 81 TRP CB C 81 29.118 29.218 -0.100 1
1 947 . 17 1 1 A 81 81 TRP C C 81 174.611 175.687 -1.076 1
1 948 . 17 1 1 A 82 82 HIS CA C 82 54.101 54.644 -0.543 1
1 949 . 17 1 1 A 82 82 HIS HA H 82 4.727 4.755 -0.028 1
1 950 . 17 1 1 A 82 82 HIS CB C 82 30.847 33.197 -2.350 1
1 957 . 17 1 1 A 83 83 ASP CA C 83 54.997 55.319 -0.322 1
1 958 . 17 1 1 A 83 83 ASP HA H 83 4.342 4.024 0.318 1
1 959 . 17 1 1 A 83 83 ASP CB C 83 40.395 39.469 0.926 1
1 962 . 17 1 1 A 83 83 ASP C C 83 174.198 174.220 -0.022 1
1 963 . 17 1 1 A 84 84 SER N N 84 111.986 113.055 -1.069 1
1 964 . 17 1 1 A 84 84 SER H H 84 7.863 7.468 0.395 1
1 965 . 17 1 1 A 84 84 SER CA C 84 56.714 56.054 0.660 1
1 966 . 17 1 1 A 84 84 SER HA H 84 4.584 4.808 -0.224 1
1 967 . 17 1 1 A 84 84 SER CB C 84 64.374 65.101 -0.727 1
1 970 . 17 1 1 A 84 84 SER C C 84 174.489 172.785 1.704 1
1 971 . 17 1 1 A 85 85 ASP N N 85 125.547 121.829 3.718 1
1 972 . 17 1 1 A 85 85 ASP H H 85 9.268 8.783 0.485 1
1 973 . 17 1 1 A 85 85 ASP CA C 85 55.447 54.383 1.064 1
1 974 . 17 1 1 A 85 85 ASP HA H 85 4.704 4.962 -0.258 1
1 975 . 17 1 1 A 85 85 ASP CB C 85 40.980 41.784 -0.804 1
1 978 . 17 1 1 A 85 85 ASP C C 85 177.038 176.739 0.299 1
1 979 . 17 1 1 A 86 86 TRP N N 86 121.831 119.930 1.901 1
1 980 . 17 1 1 A 86 86 TRP H H 86 9.345 8.056 1.289 1
1 981 . 17 1 1 A 86 86 TRP CA C 86 56.967 57.185 -0.218 1
1 982 . 17 1 1 A 86 86 TRP HA H 86 5.091 5.003 0.088 1
1 983 . 17 1 1 A 86 86 TRP CB C 86 29.118 31.582 -2.464 1
1 998 . 17 1 1 A 86 86 TRP C C 86 176.723 177.118 -0.395 1
1 999 . 17 1 1 A 87 87 ILE N N 87 123.116 122.424 0.692 1
1 1000 . 17 1 1 A 87 87 ILE H H 87 8.965 9.071 -0.106 1
1 1001 . 17 1 1 A 87 87 ILE CA C 87 60.595 59.965 0.630 1
1 1002 . 17 1 1 A 87 87 ILE HA H 87 4.462 4.777 -0.315 1
1 1003 . 17 1 1 A 87 87 ILE CB C 87 40.354 39.299 1.055 1
1 1016 . 17 1 1 A 87 87 ILE C C 87 175.824 174.546 1.278 1
1 1017 . 17 1 1 A 88 88 LEU N N 88 134.475 130.568 3.907 1
1 1018 . 17 1 1 A 88 88 LEU H H 88 8.736 9.044 -0.308 1
1 1019 . 17 1 1 A 88 88 LEU CA C 88 53.763 53.461 0.302 1
1 1020 . 17 1 1 A 88 88 LEU HA H 88 5.163 4.775 0.388 1
1 1021 . 17 1 1 A 88 88 LEU CB C 88 43.020 43.641 -0.621 1
1 1034 . 17 1 1 A 88 88 LEU C C 88 175.824 174.840 0.984 1
1 1035 . 17 1 1 A 89 89 SER N N 89 122.016 120.359 1.657 1
1 1036 . 17 1 1 A 89 89 SER H H 89 9.152 8.884 0.268 1
1 1037 . 17 1 1 A 89 89 SER CA C 89 57.242 56.615 0.627 1
1 1038 . 17 1 1 A 89 89 SER HA H 89 4.739 5.248 -0.509 1
1 1039 . 17 1 1 A 89 89 SER CB C 89 65.526 66.328 -0.802 1
1 1042 . 17 1 1 A 89 89 SER C C 89 171.989 172.236 -0.247 1
1 1043 . 17 1 1 A 90 90 VAL N N 90 119.844 122.048 -2.204 1
1 1044 . 17 1 1 A 90 90 VAL H H 90 8.220 8.638 -0.418 1
1 1045 . 17 1 1 A 90 90 VAL CA C 90 59.143 59.178 -0.035 1
1 1046 . 17 1 1 A 90 90 VAL HA H 90 4.604 4.516 0.088 1
1 1047 . 17 1 1 A 90 90 VAL CB C 90 33.056 32.912 0.144 1
1 1057 . 17 1 1 A 90 90 VAL C C 90 174.198 174.225 -0.027 1
1 1058 . 17 1 1 A 91 91 PRO CA C 91 63.467 62.523 0.944 1
1 1059 . 17 1 1 A 91 91 PRO HA H 91 4.329 4.618 -0.289 1
1 1060 . 17 1 1 A 91 91 PRO CB C 91 32.003 32.901 -0.898 1
1 1069 . 17 1 1 A 91 91 PRO C C 91 175.557 176.918 -1.361 1
1 1 . 18 1 1 A 6 6 SER CA C 6 58.720 56.844 1.876 1
1 2 . 18 1 1 A 6 6 SER HA H 6 4.456 4.934 -0.478 1
1 3 . 18 1 1 A 6 6 SER CB C 6 63.880 65.495 -1.615 1
1 6 . 18 1 1 A 6 6 SER C C 6 174.951 172.539 2.412 1
1 7 . 18 1 1 A 7 7 GLY N N 7 110.558 110.233 0.325 1
1 8 . 18 1 1 A 7 7 GLY H H 7 8.377 8.646 -0.269 1
1 9 . 18 1 1 A 7 7 GLY CA C 7 45.205 44.681 0.524 1
1 10 . 18 1 1 A 7 7 GLY HA2 H 7 3.879 4.240 -0.361 1
1 11 . 18 1 1 A 7 7 GLY HA3 H 7 3.910 4.321 -0.411 1
1 12 . 18 1 1 A 7 7 GLY C C 7 173.615 172.032 1.583 1
1 13 . 18 1 1 A 8 8 PHE N N 8 119.857 124.428 -4.571 1
1 14 . 18 1 1 A 8 8 PHE H H 8 8.062 9.087 -1.025 1
1 15 . 18 1 1 A 8 8 PHE CA C 8 57.418 56.472 0.946 1
1 16 . 18 1 1 A 8 8 PHE HA H 8 4.624 4.982 -0.358 1
1 17 . 18 1 1 A 8 8 PHE CB C 8 39.749 40.158 -0.409 1
1 30 . 18 1 1 A 8 8 PHE C C 8 175.242 174.446 0.796 1
1 31 . 18 1 1 A 9 9 GLU N N 9 124.807 125.020 -0.213 1
1 32 . 18 1 1 A 9 9 GLU H H 9 8.311 8.848 -0.537 1
1 33 . 18 1 1 A 9 9 GLU CA C 9 54.034 53.982 0.052 1
1 34 . 18 1 1 A 9 9 GLU HA H 9 4.546 5.077 -0.531 1
1 35 . 18 1 1 A 9 9 GLU CB C 9 29.859 30.770 -0.911 1
1 40 . 18 1 1 A 9 9 GLU C C 9 174.125 174.947 -0.822 1
1 41 . 18 1 1 A 10 10 PRO CA C 10 63.366 63.707 -0.341 1
1 42 . 18 1 1 A 10 10 PRO HA H 10 4.334 4.534 -0.200 1
1 43 . 18 1 1 A 10 10 PRO CB C 10 32.033 31.472 0.561 1
1 52 . 18 1 1 A 10 10 PRO C C 10 177.062 175.037 2.025 1
1 53 . 18 1 1 A 11 11 ARG N N 11 120.726 116.870 3.856 1
1 54 . 18 1 1 A 11 11 ARG H H 11 8.477 7.735 0.742 1
1 55 . 18 1 1 A 11 11 ARG CA C 11 56.175 54.886 1.289 1
1 56 . 18 1 1 A 11 11 ARG HA H 11 4.318 4.845 -0.527 1
1 57 . 18 1 1 A 11 11 ARG CB C 11 30.831 32.655 -1.824 1
1 66 . 18 1 1 A 11 11 ARG C C 11 176.455 174.503 1.952 1
1 67 . 18 1 1 A 12 12 SER N N 12 116.599 116.833 -0.234 1
1 68 . 18 1 1 A 12 12 SER H H 12 8.289 8.957 -0.668 1
1 69 . 18 1 1 A 12 12 SER CA C 12 58.330 56.859 1.471 1
1 70 . 18 1 1 A 12 12 SER HA H 12 4.396 5.183 -0.787 1
1 71 . 18 1 1 A 12 12 SER CB C 12 63.633 63.447 0.186 1
1 74 . 18 1 1 A 12 12 SER C C 12 174.465 172.833 1.632 1
1 75 . 18 1 1 A 13 13 LEU N N 13 124.186 126.310 -2.124 1
1 76 . 18 1 1 A 13 13 LEU H H 13 8.275 8.741 -0.466 1
1 77 . 18 1 1 A 13 13 LEU CA C 13 55.306 54.649 0.657 1
1 78 . 18 1 1 A 13 13 LEU HA H 13 4.361 4.865 -0.504 1
1 79 . 18 1 1 A 13 13 LEU CB C 13 42.350 43.590 -1.240 1
1 92 . 18 1 1 A 13 13 LEU C C 13 177.184 175.327 1.857 1
1 93 . 18 1 1 A 14 14 ILE N N 14 121.445 118.405 3.040 1
1 94 . 18 1 1 A 14 14 ILE H H 14 8.106 8.674 -0.568 1
1 95 . 18 1 1 A 14 14 ILE CA C 14 61.248 59.100 2.148 1
1 96 . 18 1 1 A 14 14 ILE HA H 14 4.202 5.313 -1.111 1
1 97 . 18 1 1 A 14 14 ILE CB C 14 38.555 42.516 -3.961 1
1 110 . 18 1 1 A 14 14 ILE C C 14 176.528 174.352 2.176 1
1 111 . 18 1 1 A 15 15 THR N N 15 118.053 117.144 0.909 1
1 112 . 18 1 1 A 15 15 THR H H 15 8.226 8.708 -0.482 1
1 113 . 18 1 1 A 15 15 THR CA C 15 61.573 60.876 0.697 1
1 114 . 18 1 1 A 15 15 THR HA H 15 4.401 4.754 -0.353 1
1 115 . 18 1 1 A 15 15 THR CB C 15 69.795 70.588 -0.793 1
1 121 . 18 1 1 A 15 15 THR C C 15 174.538 172.756 1.782 1
1 122 . 18 1 1 A 16 16 SER N N 16 117.877 123.727 -5.850 1
1 123 . 18 1 1 A 16 16 SER H H 16 8.272 8.799 -0.527 1
1 124 . 18 1 1 A 16 16 SER CA C 16 55.830 58.062 -2.232 1
1 125 . 18 1 1 A 16 16 SER HA H 16 4.448 5.007 -0.559 1
1 126 . 18 1 1 A 16 16 SER CB C 16 63.880 63.408 0.472 1
1 129 . 18 1 1 A 16 16 SER C C 16 174.247 173.971 0.276 1
1 130 . 18 1 1 A 17 17 ASP N N 17 122.892 126.577 -3.685 1
1 131 . 18 1 1 A 17 17 ASP H H 17 8.425 8.687 -0.262 1
1 132 . 18 1 1 A 17 17 ASP CA C 17 54.461 55.042 -0.581 1
1 133 . 18 1 1 A 17 17 ASP HA H 17 4.611 4.694 -0.083 1
1 134 . 18 1 1 A 17 17 ASP CB C 17 41.340 41.182 0.158 1
1 137 . 18 1 1 A 17 17 ASP C C 17 176.358 175.405 0.953 1
1 138 . 18 1 1 A 18 18 LYS N N 18 121.459 121.442 0.017 1
1 139 . 18 1 1 A 18 18 LYS H H 18 8.349 7.599 0.750 1
1 140 . 18 1 1 A 18 18 LYS CA C 18 56.526 54.749 1.777 1
1 141 . 18 1 1 A 18 18 LYS HA H 18 4.356 4.843 -0.487 1
1 142 . 18 1 1 A 18 18 LYS CB C 18 32.744 35.032 -2.288 1
1 152 . 18 1 1 A 18 18 LYS C C 18 177.305 176.444 0.861 1
1 153 . 18 1 1 A 19 19 GLY N N 19 109.072 111.520 -2.448 1
1 154 . 18 1 1 A 19 19 GLY H H 19 8.533 8.637 -0.104 1
1 155 . 18 1 1 A 19 19 GLY CA C 19 45.451 45.661 -0.210 1
1 156 . 18 1 1 A 19 19 GLY HA2 H 19 3.884 3.949 -0.065 1
1 157 . 18 1 1 A 19 19 GLY HA3 H 19 3.960 4.004 -0.044 1
1 158 . 18 1 1 A 19 19 GLY C C 19 174.028 173.753 0.275 1
1 159 . 18 1 1 A 20 20 PHE N N 20 119.395 118.913 0.482 1
1 160 . 18 1 1 A 20 20 PHE H H 20 8.014 7.964 0.050 1
1 161 . 18 1 1 A 20 20 PHE CA C 20 56.992 56.542 0.450 1
1 162 . 18 1 1 A 20 20 PHE HA H 20 5.166 5.184 -0.018 1
1 163 . 18 1 1 A 20 20 PHE CB C 20 43.122 44.207 -1.085 1
1 176 . 18 1 1 A 20 20 PHE C C 20 174.247 173.943 0.304 1
1 177 . 18 1 1 A 21 21 VAL N N 21 119.613 121.228 -1.615 1
1 178 . 18 1 1 A 21 21 VAL H H 21 9.282 9.136 0.146 1
1 179 . 18 1 1 A 21 21 VAL CA C 21 60.286 60.270 0.016 1
1 180 . 18 1 1 A 21 21 VAL HA H 21 4.403 4.870 -0.467 1
1 181 . 18 1 1 A 21 21 VAL CB C 21 35.624 35.889 -0.265 1
1 191 . 18 1 1 A 21 21 VAL C C 21 174.077 174.119 -0.042 1
1 192 . 18 1 1 A 22 22 THR N N 22 123.150 121.651 1.499 1
1 193 . 18 1 1 A 22 22 THR H H 22 8.226 8.753 -0.527 1
1 194 . 18 1 1 A 22 22 THR CA C 22 61.672 61.728 -0.056 1
1 195 . 18 1 1 A 22 22 THR HA H 22 5.214 5.004 0.210 1
1 196 . 18 1 1 A 22 22 THR CB C 22 69.636 70.892 -1.256 1
1 202 . 18 1 1 A 22 22 THR C C 22 174.319 173.858 0.461 1
1 203 . 18 1 1 A 23 23 MET N N 23 125.701 122.427 3.274 1
1 204 . 18 1 1 A 23 23 MET H H 23 9.254 9.037 0.217 1
1 205 . 18 1 1 A 23 23 MET CA C 23 54.250 54.127 0.123 1
1 206 . 18 1 1 A 23 23 MET HA H 23 4.680 4.889 -0.209 1
1 207 . 18 1 1 A 23 23 MET CB C 23 34.967 36.920 -1.953 1
1 217 . 18 1 1 A 23 23 MET C C 23 174.028 174.517 -0.489 1
1 218 . 18 1 1 A 24 24 THR N N 24 109.251 115.011 -5.760 1
1 219 . 18 1 1 A 24 24 THR H H 24 8.410 8.386 0.024 1
1 220 . 18 1 1 A 24 24 THR CA C 24 59.952 60.391 -0.439 1
1 221 . 18 1 1 A 24 24 THR HA H 24 4.838 4.883 -0.045 1
1 222 . 18 1 1 A 24 24 THR CB C 24 71.427 71.956 -0.529 1
1 228 . 18 1 1 A 24 24 THR C C 24 172.353 173.342 -0.989 1
1 229 . 18 1 1 A 25 25 LEU N N 25 125.384 125.743 -0.359 1
1 230 . 18 1 1 A 25 25 LEU H H 25 8.901 8.675 0.226 1
1 231 . 18 1 1 A 25 25 LEU CA C 25 53.373 54.130 -0.757 1
1 232 . 18 1 1 A 25 25 LEU HA H 25 5.333 4.860 0.473 1
1 233 . 18 1 1 A 25 25 LEU CB C 25 45.607 44.910 0.697 1
1 246 . 18 1 1 A 25 25 LEU C C 25 175.606 175.255 0.351 1
1 247 . 18 1 1 A 26 26 GLU N N 26 125.482 127.052 -1.570 1
1 248 . 18 1 1 A 26 26 GLU H H 26 9.147 8.622 0.525 1
1 249 . 18 1 1 A 26 26 GLU CA C 26 56.010 55.325 0.685 1
1 250 . 18 1 1 A 26 26 GLU HA H 26 4.922 4.874 0.048 1
1 251 . 18 1 1 A 26 26 GLU CB C 26 33.588 31.666 1.922 1
1 257 . 18 1 1 A 26 26 GLU C C 26 175.387 176.503 -1.116 1
1 258 . 18 1 1 A 27 27 SER N N 27 118.827 114.409 4.418 1
1 259 . 18 1 1 A 27 27 SER H H 27 8.432 8.298 0.134 1
1 260 . 18 1 1 A 27 27 SER CA C 27 55.236 55.430 -0.194 1
1 261 . 18 1 1 A 27 27 SER HA H 27 3.720 4.237 -0.517 1
1 262 . 18 1 1 A 27 27 SER CB C 27 63.703 65.559 -1.856 1
1 265 . 18 1 1 A 27 27 SER C C 27 173.980 174.844 -0.864 1
1 266 . 18 1 1 A 28 28 LEU N N 28 121.319 122.498 -1.179 1
1 267 . 18 1 1 A 28 28 LEU H H 28 7.990 8.176 -0.186 1
1 268 . 18 1 1 A 28 28 LEU CA C 28 55.887 56.977 -1.090 1
1 269 . 18 1 1 A 28 28 LEU HA H 28 4.071 4.113 -0.042 1
1 270 . 18 1 1 A 28 28 LEU CB C 28 42.184 42.799 -0.615 1
1 283 . 18 1 1 A 28 28 LEU C C 28 177.159 176.088 1.071 1
1 284 . 18 1 1 A 29 29 GLU N N 29 115.740 115.950 -0.210 1
1 285 . 18 1 1 A 29 29 GLU H H 29 7.458 7.841 -0.383 1
1 286 . 18 1 1 A 29 29 GLU CA C 29 53.658 54.402 -0.744 1
1 287 . 18 1 1 A 29 29 GLU HA H 29 4.444 4.680 -0.236 1
1 288 . 18 1 1 A 29 29 GLU CB C 29 33.209 34.021 -0.812 1
1 294 . 18 1 1 A 29 29 GLU C C 29 174.417 175.299 -0.882 1
1 295 . 18 1 1 A 30 30 GLU N N 30 122.052 121.420 0.632 1
1 296 . 18 1 1 A 30 30 GLU H H 30 8.500 8.524 -0.024 1
1 297 . 18 1 1 A 30 30 GLU CA C 30 57.621 56.926 0.695 1
1 298 . 18 1 1 A 30 30 GLU HA H 30 4.297 4.555 -0.258 1
1 299 . 18 1 1 A 30 30 GLU CB C 30 30.403 30.619 -0.216 1
1 305 . 18 1 1 A 30 30 GLU C C 30 177.087 176.060 1.027 1
1 306 . 18 1 1 A 31 31 ILE N N 31 120.377 120.814 -0.437 1
1 307 . 18 1 1 A 31 31 ILE H H 31 8.828 8.234 0.594 1
1 308 . 18 1 1 A 31 31 ILE CA C 31 59.741 58.238 1.503 1
1 309 . 18 1 1 A 31 31 ILE HA H 31 4.680 4.825 -0.145 1
1 310 . 18 1 1 A 31 31 ILE CB C 31 40.845 40.926 -0.081 1
1 323 . 18 1 1 A 31 31 ILE C C 31 175.776 176.718 -0.942 1
1 324 . 18 1 1 A 32 32 GLN N N 32 119.444 120.869 -1.425 1
1 325 . 18 1 1 A 32 32 GLN H H 32 8.668 8.864 -0.196 1
1 326 . 18 1 1 A 32 32 GLN CA C 32 57.277 57.726 -0.449 1
1 327 . 18 1 1 A 32 32 GLN HA H 32 4.302 4.356 -0.054 1
1 328 . 18 1 1 A 32 32 GLN CB C 32 30.079 29.156 0.923 1
1 337 . 18 1 1 A 32 32 GLN C C 32 175.824 175.265 0.559 1
1 338 . 18 1 1 A 33 33 ASP N N 33 113.908 116.199 -2.291 1
1 339 . 18 1 1 A 33 33 ASP H H 33 7.684 7.912 -0.228 1
1 340 . 18 1 1 A 33 33 ASP CA C 33 53.441 53.062 0.379 1
1 341 . 18 1 1 A 33 33 ASP HA H 33 4.754 4.950 -0.196 1
1 342 . 18 1 1 A 33 33 ASP CB C 33 43.727 44.255 -0.528 1
1 345 . 18 1 1 A 33 33 ASP C C 33 175.824 176.322 -0.498 1
1 346 . 18 1 1 A 34 34 VAL N N 34 114.196 123.240 -9.044 1
1 347 . 18 1 1 A 34 34 VAL H H 34 8.640 8.743 -0.103 1
1 348 . 18 1 1 A 34 34 VAL CA C 34 64.836 64.695 0.141 1
1 349 . 18 1 1 A 34 34 VAL HA H 34 3.910 3.898 0.012 1
1 350 . 18 1 1 A 34 34 VAL CB C 34 31.539 31.521 0.018 1
1 360 . 18 1 1 A 34 34 VAL C C 34 177.669 177.718 -0.049 1
1 361 . 18 1 1 A 35 35 SER N N 35 120.001 117.090 2.911 1
1 362 . 18 1 1 A 35 35 SER H H 35 9.274 8.455 0.819 1
1 363 . 18 1 1 A 35 35 SER CA C 35 62.276 61.751 0.525 1
1 364 . 18 1 1 A 35 35 SER HA H 35 4.448 4.255 0.193 1
1 365 . 18 1 1 A 35 35 SER CB C 35 62.255 63.118 -0.863 1
1 368 . 18 1 1 A 35 35 SER C C 35 177.305 177.295 0.010 1
1 369 . 18 1 1 A 36 36 CYS N N 36 120.840 119.496 1.344 1
1 370 . 18 1 1 A 36 36 CYS H H 36 7.894 8.116 -0.222 1
1 371 . 18 1 1 A 36 36 CYS CA C 36 62.416 63.139 -0.723 1
1 372 . 18 1 1 A 36 36 CYS HA H 36 4.310 4.272 0.038 1
1 373 . 18 1 1 A 36 36 CYS CB C 36 28.189 27.277 0.912 1
1 376 . 18 1 1 A 36 36 CYS C C 36 177.257 176.781 0.476 1
1 377 . 18 1 1 A 37 37 ALA N N 37 122.247 121.887 0.360 1
1 378 . 18 1 1 A 37 37 ALA H H 37 7.343 8.194 -0.851 1
1 379 . 18 1 1 A 37 37 ALA CA C 37 54.145 54.977 -0.832 1
1 380 . 18 1 1 A 37 37 ALA HA H 37 3.546 3.916 -0.370 1
1 381 . 18 1 1 A 37 37 ALA CB C 37 20.009 18.249 1.760 1
1 385 . 18 1 1 A 37 37 ALA C C 37 178.883 180.170 -1.287 1
1 386 . 18 1 1 A 38 38 TRP N N 38 117.352 118.582 -1.230 1
1 387 . 18 1 1 A 38 38 TRP H H 38 7.937 8.654 -0.717 1
1 388 . 18 1 1 A 38 38 TRP CA C 38 60.600 60.527 0.073 1
1 389 . 18 1 1 A 38 38 TRP HA H 38 4.276 4.341 -0.065 1
1 390 . 18 1 1 A 38 38 TRP CB C 38 29.693 29.288 0.405 1
1 405 . 18 1 1 A 38 38 TRP C C 38 178.664 179.131 -0.467 1
1 406 . 18 1 1 A 39 39 LYS N N 39 117.638 118.721 -1.083 1
1 407 . 18 1 1 A 39 39 LYS H H 39 8.102 8.276 -0.174 1
1 408 . 18 1 1 A 39 39 LYS CA C 39 60.009 59.614 0.395 1
1 409 . 18 1 1 A 39 39 LYS HA H 39 4.031 4.002 0.029 1
1 410 . 18 1 1 A 39 39 LYS CB C 39 32.471 32.219 0.252 1
1 421 . 18 1 1 A 39 39 LYS C C 39 178.713 179.030 -0.317 1
1 422 . 18 1 1 A 40 40 GLU N N 40 120.486 120.145 0.341 1
1 423 . 18 1 1 A 40 40 GLU H H 40 6.821 8.064 -1.243 1
1 424 . 18 1 1 A 40 40 GLU CA C 40 58.486 58.977 -0.491 1
1 425 . 18 1 1 A 40 40 GLU HA H 40 4.350 4.215 0.135 1
1 426 . 18 1 1 A 40 40 GLU CB C 40 28.459 29.535 -1.076 1
1 432 . 18 1 1 A 40 40 GLU C C 40 178.543 179.432 -0.889 1
1 433 . 18 1 1 A 41 41 LEU N N 41 119.356 120.250 -0.894 1
1 434 . 18 1 1 A 41 41 LEU H H 41 8.291 8.738 -0.447 1
1 435 . 18 1 1 A 41 41 LEU CA C 41 59.002 58.148 0.854 1
1 436 . 18 1 1 A 41 41 LEU HA H 41 3.947 4.190 -0.243 1
1 437 . 18 1 1 A 41 41 LEU CB C 41 41.914 41.272 0.642 1
1 450 . 18 1 1 A 41 41 LEU C C 41 178.106 179.504 -1.398 1
1 451 . 18 1 1 A 42 42 ASN N N 42 113.310 117.666 -4.356 1
1 452 . 18 1 1 A 42 42 ASN H H 42 8.350 8.778 -0.428 1
1 453 . 18 1 1 A 42 42 ASN CA C 42 55.623 56.453 -0.830 1
1 454 . 18 1 1 A 42 42 ASN HA H 42 4.420 4.548 -0.128 1
1 455 . 18 1 1 A 42 42 ASN CB C 42 39.318 38.047 1.271 1
1 461 . 18 1 1 A 42 42 ASN C C 42 176.820 177.849 -1.029 1
1 462 . 18 1 1 A 43 43 ARG N N 43 117.734 118.804 -1.070 1
1 463 . 18 1 1 A 43 43 ARG H H 43 7.578 7.904 -0.326 1
1 464 . 18 1 1 A 43 43 ARG CA C 43 58.301 58.222 0.079 1
1 465 . 18 1 1 A 43 43 ARG HA H 43 4.227 4.216 0.011 1
1 466 . 18 1 1 A 43 43 ARG CB C 43 31.361 30.740 0.621 1
1 475 . 18 1 1 A 43 43 ARG C C 43 178.106 177.797 0.309 1
1 476 . 18 1 1 A 44 44 LYS N N 44 115.502 116.637 -1.135 1
1 477 . 18 1 1 A 44 44 LYS H H 44 7.365 7.263 0.102 1
1 478 . 18 1 1 A 44 44 LYS CA C 44 55.367 57.056 -1.689 1
1 479 . 18 1 1 A 44 44 LYS HA H 44 4.280 4.422 -0.142 1
1 480 . 18 1 1 A 44 44 LYS CB C 44 34.289 32.947 1.342 1
1 491 . 18 1 1 A 44 44 LYS C C 44 176.504 176.411 0.093 1
1 492 . 18 1 1 A 45 45 LEU N N 45 118.486 119.157 -0.671 1
1 493 . 18 1 1 A 45 45 LEU H H 45 7.977 7.755 0.222 1
1 494 . 18 1 1 A 45 45 LEU CA C 45 53.335 53.014 0.321 1
1 495 . 18 1 1 A 45 45 LEU HA H 45 4.882 4.859 0.023 1
1 496 . 18 1 1 A 45 45 LEU CB C 45 45.307 45.127 0.180 1
1 509 . 18 1 1 A 45 45 LEU C C 45 176.771 176.112 0.659 1
1 510 . 18 1 1 A 46 46 SER N N 46 116.809 113.890 2.919 1
1 511 . 18 1 1 A 46 46 SER H H 46 9.074 8.364 0.710 1
1 512 . 18 1 1 A 46 46 SER CA C 46 57.981 56.249 1.732 1
1 513 . 18 1 1 A 46 46 SER HA H 46 4.407 4.962 -0.555 1
1 514 . 18 1 1 A 46 46 SER CB C 46 64.496 66.604 -2.108 1
1 517 . 18 1 1 A 46 46 SER C C 46 175.387 175.926 -0.539 1
1 518 . 18 1 1 A 47 47 SER N N 47 117.511 118.130 -0.619 1
1 519 . 18 1 1 A 47 47 SER H H 47 8.955 9.218 -0.263 1
1 520 . 18 1 1 A 47 47 SER CA C 47 61.523 62.132 -0.609 1
1 521 . 18 1 1 A 47 47 SER HA H 47 4.197 4.099 0.098 1
1 522 . 18 1 1 A 47 47 SER CB C 47 62.412 62.894 -0.482 1
1 525 . 18 1 1 A 48 48 ASN H H 48 8.475 8.285 0.190 1
1 526 . 18 1 1 A 48 48 ASN CA C 48 56.327 55.942 0.385 1
1 527 . 18 1 1 A 48 48 ASN HA H 48 4.421 4.493 -0.072 1
1 528 . 18 1 1 A 48 48 ASN CB C 48 38.635 38.285 0.350 1
1 534 . 18 1 1 A 48 48 ASN C C 48 177.232 178.060 -0.828 1
1 535 . 18 1 1 A 49 49 ALA N N 49 123.504 122.102 1.402 1
1 536 . 18 1 1 A 49 49 ALA H H 49 7.837 7.987 -0.150 1
1 537 . 18 1 1 A 49 49 ALA CA C 49 55.271 55.157 0.114 1
1 538 . 18 1 1 A 49 49 ALA HA H 49 4.171 4.041 0.130 1
1 539 . 18 1 1 A 49 49 ALA CB C 49 19.301 18.643 0.658 1
1 543 . 18 1 1 A 49 49 ALA C C 49 179.830 179.991 -0.161 1
1 544 . 18 1 1 A 50 50 VAL N N 50 115.694 117.399 -1.705 1
1 545 . 18 1 1 A 50 50 VAL H H 50 8.069 8.496 -0.427 1
1 546 . 18 1 1 A 50 50 VAL CA C 50 65.728 65.186 0.542 1
1 547 . 18 1 1 A 50 50 VAL HA H 50 3.645 3.728 -0.083 1
1 548 . 18 1 1 A 50 50 VAL CB C 50 31.836 31.175 0.661 1
1 558 . 18 1 1 A 50 50 VAL C C 50 178.567 177.532 1.035 1
1 559 . 18 1 1 A 51 51 SER N N 51 114.048 117.394 -3.346 1
1 560 . 18 1 1 A 51 51 SER H H 51 7.849 8.092 -0.243 1
1 561 . 18 1 1 A 51 51 SER CA C 51 60.756 60.839 -0.083 1
1 562 . 18 1 1 A 51 51 SER HA H 51 4.334 4.509 -0.175 1
1 563 . 18 1 1 A 51 51 SER CB C 51 63.383 63.177 0.206 1
1 565 . 18 1 1 A 51 51 SER C C 51 174.635 176.495 -1.860 1
1 566 . 18 1 1 A 52 52 GLN N N 52 118.482 118.258 0.224 1
1 567 . 18 1 1 A 52 52 GLN H H 52 7.564 7.898 -0.334 1
1 568 . 18 1 1 A 52 52 GLN CA C 52 55.306 57.620 -2.314 1
1 569 . 18 1 1 A 52 52 GLN HA H 52 4.389 4.345 0.044 1
1 570 . 18 1 1 A 52 52 GLN CB C 52 29.217 29.057 0.160 1
1 579 . 18 1 1 A 52 52 GLN C C 52 175.315 177.032 -1.717 1
1 580 . 18 1 1 A 53 53 ILE N N 53 119.847 121.820 -1.973 1
1 581 . 18 1 1 A 53 53 ILE H H 53 7.281 7.424 -0.143 1
1 582 . 18 1 1 A 53 53 ILE CA C 53 62.903 62.352 0.551 1
1 583 . 18 1 1 A 53 53 ILE HA H 53 4.417 4.022 0.395 1
1 584 . 18 1 1 A 53 53 ILE CB C 53 38.124 37.539 0.585 1
1 597 . 18 1 1 A 53 53 ILE C C 53 176.383 176.028 0.355 1
1 598 . 18 1 1 A 54 54 THR N N 54 120.582 119.221 1.361 1
1 599 . 18 1 1 A 54 54 THR H H 54 9.046 8.746 0.300 1
1 600 . 18 1 1 A 54 54 THR CA C 54 59.846 59.763 0.083 1
1 601 . 18 1 1 A 54 54 THR HA H 54 4.834 4.915 -0.081 1
1 602 . 18 1 1 A 54 54 THR CB C 54 71.904 71.968 -0.064 1
1 608 . 18 1 1 A 54 54 THR C C 54 172.135 173.077 -0.942 1
1 609 . 18 1 1 A 55 55 ARG N N 55 118.375 123.496 -5.121 1
1 610 . 18 1 1 A 55 55 ARG H H 55 8.511 8.767 -0.256 1
1 611 . 18 1 1 A 55 55 ARG CA C 55 57.312 56.851 0.461 1
1 612 . 18 1 1 A 55 55 ARG HA H 55 3.782 3.771 0.011 1
1 613 . 18 1 1 A 55 55 ARG CB C 55 28.704 27.830 0.874 1
1 622 . 18 1 1 A 55 55 ARG C C 55 174.684 174.880 -0.196 1
1 623 . 18 1 1 A 56 56 MET N N 56 118.525 117.756 0.769 1
1 624 . 18 1 1 A 56 56 MET H H 56 8.279 7.902 0.377 1
1 625 . 18 1 1 A 56 56 MET CA C 56 55.799 56.192 -0.393 1
1 626 . 18 1 1 A 56 56 MET HA H 56 5.188 4.706 0.482 1
1 627 . 18 1 1 A 56 56 MET CB C 56 33.062 33.185 -0.123 1
1 637 . 18 1 1 A 56 56 MET C C 56 177.572 175.109 2.463 1
1 638 . 18 1 1 A 57 57 CYS N N 57 126.541 126.678 -0.137 1
1 639 . 18 1 1 A 57 57 CYS H H 57 9.340 8.967 0.373 1
1 640 . 18 1 1 A 57 57 CYS CA C 57 57.171 57.739 -0.568 1
1 641 . 18 1 1 A 57 57 CYS HA H 57 4.794 5.221 -0.427 1
1 642 . 18 1 1 A 57 57 CYS CB C 57 31.161 31.670 -0.509 1
1 645 . 18 1 1 A 57 57 CYS C C 57 173.057 173.427 -0.370 1
1 646 . 18 1 1 A 58 58 LEU N N 58 123.786 125.571 -1.785 1
1 647 . 18 1 1 A 58 58 LEU H H 58 8.682 8.581 0.101 1
1 648 . 18 1 1 A 58 58 LEU CA C 58 55.975 54.018 1.957 1
1 649 . 18 1 1 A 58 58 LEU HA H 58 4.520 4.722 -0.202 1
1 650 . 18 1 1 A 58 58 LEU CB C 58 43.097 41.708 1.389 1
1 663 . 18 1 1 A 58 58 LEU C C 58 177.960 176.865 1.095 1
1 664 . 18 1 1 A 59 59 LEU N N 59 124.007 126.513 -2.506 1
1 665 . 18 1 1 A 59 59 LEU H H 59 8.269 8.237 0.032 1
1 666 . 18 1 1 A 59 59 LEU CA C 59 54.156 54.856 -0.700 1
1 667 . 18 1 1 A 59 59 LEU HA H 59 4.261 4.283 -0.022 1
1 668 . 18 1 1 A 59 59 LEU CB C 59 42.986 42.285 0.701 1
1 681 . 18 1 1 A 59 59 LEU C C 59 177.645 177.308 0.337 1
1 682 . 18 1 1 A 60 60 LYS N N 60 122.593 122.445 0.148 1
1 683 . 18 1 1 A 60 60 LYS H H 60 8.458 8.671 -0.213 1
1 684 . 18 1 1 A 60 60 LYS CA C 60 58.263 58.853 -0.590 1
1 685 . 18 1 1 A 60 60 LYS HA H 60 4.101 3.819 0.282 1
1 686 . 18 1 1 A 60 60 LYS CB C 60 31.732 32.212 -0.480 1
1 696 . 18 1 1 A 60 60 LYS C C 60 178.422 177.450 0.972 1
1 697 . 18 1 1 A 61 61 GLY H H 61 9.070 8.887 0.183 1
1 698 . 18 1 1 A 61 61 GLY CA C 61 45.355 45.296 0.059 1
1 699 . 18 1 1 A 61 61 GLY HA2 H 61 3.641 3.916 -0.275 1
1 700 . 18 1 1 A 61 61 GLY HA3 H 61 4.223 3.920 0.303 1
1 701 . 18 1 1 A 61 61 GLY C C 61 173.907 174.760 -0.853 1
1 702 . 18 1 1 A 62 62 ASN N N 62 112.617 112.312 0.305 1
1 703 . 18 1 1 A 62 62 ASN H H 62 8.639 8.193 0.446 1
1 704 . 18 1 1 A 62 62 ASN CA C 62 55.115 54.333 0.782 1
1 705 . 18 1 1 A 62 62 ASN HA H 62 4.208 4.401 -0.193 1
1 706 . 18 1 1 A 62 62 ASN CB C 62 36.133 36.937 -0.804 1
1 712 . 18 1 1 A 62 62 ASN C C 62 173.810 175.412 -1.602 1
1 713 . 18 1 1 A 63 63 MET N N 63 114.254 115.929 -1.675 1
1 714 . 18 1 1 A 63 63 MET H H 63 7.967 8.350 -0.383 1
1 715 . 18 1 1 A 63 63 MET CA C 63 53.229 55.269 -2.040 1
1 716 . 18 1 1 A 63 63 MET HA H 63 4.908 4.587 0.321 1
1 717 . 18 1 1 A 63 63 MET CB C 63 29.363 33.738 -4.375 1
1 727 . 18 1 1 A 63 63 MET C C 63 175.436 175.064 0.372 1
1 728 . 18 1 1 A 64 64 GLY N N 64 102.826 107.127 -4.301 1
1 729 . 18 1 1 A 64 64 GLY H H 64 7.039 7.495 -0.456 1
1 730 . 18 1 1 A 64 64 GLY CA C 64 45.381 45.636 -0.255 1
1 731 . 18 1 1 A 64 64 GLY HA2 H 64 4.902 4.086 0.816 1
1 732 . 18 1 1 A 64 64 GLY HA3 H 64 4.026 4.162 -0.136 1
1 733 . 18 1 1 A 64 64 GLY C C 64 171.868 171.466 0.402 1
1 734 . 18 1 1 A 65 65 VAL N N 65 110.602 115.424 -4.822 1
1 735 . 18 1 1 A 65 65 VAL H H 65 8.994 8.760 0.234 1
1 736 . 18 1 1 A 65 65 VAL CA C 65 58.892 59.029 -0.137 1
1 737 . 18 1 1 A 65 65 VAL HA H 65 5.511 5.148 0.363 1
1 738 . 18 1 1 A 65 65 VAL CB C 65 36.392 35.968 0.424 1
1 748 . 18 1 1 A 65 65 VAL C C 65 174.319 174.293 0.026 1
1 749 . 18 1 1 A 66 66 CYS N N 66 115.721 120.958 -5.237 1
1 750 . 18 1 1 A 66 66 CYS H H 66 9.175 8.909 0.266 1
1 751 . 18 1 1 A 66 66 CYS CA C 66 54.912 56.214 -1.302 1
1 752 . 18 1 1 A 66 66 CYS HA H 66 5.590 5.383 0.207 1
1 753 . 18 1 1 A 66 66 CYS CB C 66 31.672 32.192 -0.520 1
1 756 . 18 1 1 A 66 66 CYS C C 66 171.941 173.174 -1.233 1
1 757 . 18 1 1 A 67 67 PHE N N 67 114.941 117.568 -2.627 1
1 758 . 18 1 1 A 67 67 PHE H H 67 8.220 8.510 -0.290 1
1 759 . 18 1 1 A 67 67 PHE CA C 67 56.468 56.239 0.229 1
1 760 . 18 1 1 A 67 67 PHE HA H 67 4.879 5.168 -0.289 1
1 761 . 18 1 1 A 67 67 PHE CB C 67 39.366 40.732 -1.366 1
1 774 . 18 1 1 A 67 67 PHE C C 67 171.552 171.948 -0.396 1
1 775 . 18 1 1 A 68 68 ASP N N 68 119.507 119.659 -0.152 1
1 776 . 18 1 1 A 68 68 ASP H H 68 9.072 9.177 -0.105 1
1 777 . 18 1 1 A 68 68 ASP CA C 68 52.737 52.791 -0.054 1
1 778 . 18 1 1 A 68 68 ASP HA H 68 5.901 6.000 -0.099 1
1 779 . 18 1 1 A 68 68 ASP CB C 68 42.545 44.402 -1.857 1
1 782 . 18 1 1 A 68 68 ASP C C 68 176.116 175.628 0.488 1
1 783 . 18 1 1 A 69 69 VAL N N 69 114.937 116.900 -1.963 1
1 784 . 18 1 1 A 69 69 VAL H H 69 8.819 9.045 -0.226 1
1 785 . 18 1 1 A 69 69 VAL CA C 69 58.051 58.028 0.023 1
1 786 . 18 1 1 A 69 69 VAL HA H 69 5.205 4.876 0.329 1
1 787 . 18 1 1 A 69 69 VAL CB C 69 35.698 34.999 0.699 1
1 797 . 18 1 1 A 69 69 VAL C C 69 173.154 173.354 -0.200 1
1 798 . 18 1 1 A 70 70 PRO CA C 70 62.946 61.623 1.323 1
1 799 . 18 1 1 A 70 70 PRO HA H 70 4.479 3.386 1.093 1
1 800 . 18 1 1 A 70 70 PRO CB C 70 32.255 32.234 0.021 1
1 809 . 18 1 1 A 70 70 PRO C C 70 178.737 177.036 1.701 1
1 810 . 18 1 1 A 71 71 THR N N 71 119.743 114.216 5.527 1
1 811 . 18 1 1 A 71 71 THR H H 71 8.401 7.934 0.467 1
1 812 . 18 1 1 A 71 71 THR CA C 71 66.415 64.675 1.740 1
1 813 . 18 1 1 A 71 71 THR HA H 71 3.761 3.849 -0.088 1
1 814 . 18 1 1 A 71 71 THR CB C 71 68.476 68.765 -0.289 1
1 820 . 18 1 1 A 71 71 THR C C 71 176.965 176.159 0.806 1
1 821 . 18 1 1 A 72 72 THR N N 72 109.724 116.221 -6.497 1
1 822 . 18 1 1 A 72 72 THR H H 72 7.747 7.657 0.090 1
1 823 . 18 1 1 A 72 72 THR CA C 72 64.100 64.021 0.079 1
1 824 . 18 1 1 A 72 72 THR HA H 72 4.120 4.031 0.089 1
1 825 . 18 1 1 A 72 72 THR CB C 72 68.471 68.780 -0.309 1
1 831 . 18 1 1 A 72 72 THR C C 72 175.849 175.812 0.037 1
1 832 . 18 1 1 A 73 73 GLU N N 73 118.626 120.947 -2.321 1
1 833 . 18 1 1 A 73 73 GLU H H 73 7.767 7.944 -0.177 1
1 834 . 18 1 1 A 73 73 GLU CA C 73 55.623 57.099 -1.476 1
1 835 . 18 1 1 A 73 73 GLU HA H 73 4.587 4.551 0.036 1
1 836 . 18 1 1 A 73 73 GLU CB C 73 30.542 31.133 -0.591 1
1 842 . 18 1 1 A 73 73 GLU C C 73 177.257 178.068 -0.811 1
1 843 . 18 1 1 A 74 74 SER N N 74 114.932 116.020 -1.088 1
1 844 . 18 1 1 A 74 74 SER H H 74 7.442 8.164 -0.722 1
1 845 . 18 1 1 A 74 74 SER CA C 74 62.099 61.225 0.874 1
1 846 . 18 1 1 A 74 74 SER HA H 74 3.938 4.223 -0.285 1
1 847 . 18 1 1 A 74 74 SER CB C 74 63.067 62.522 0.545 1
1 850 . 18 1 1 A 74 74 SER C C 74 176.528 176.645 -0.117 1
1 851 . 18 1 1 A 75 75 GLU N N 75 120.907 121.139 -0.232 1
1 852 . 18 1 1 A 75 75 GLU H H 75 8.350 8.421 -0.071 1
1 853 . 18 1 1 A 75 75 GLU CA C 75 59.706 59.432 0.274 1
1 854 . 18 1 1 A 75 75 GLU HA H 75 4.045 4.037 0.008 1
1 855 . 18 1 1 A 75 75 GLU CB C 75 29.085 29.280 -0.195 1
1 861 . 18 1 1 A 75 75 GLU C C 75 179.320 179.017 0.303 1
1 862 . 18 1 1 A 76 76 ARG N N 76 121.343 119.811 1.532 1
1 863 . 18 1 1 A 76 76 ARG H H 76 7.948 8.063 -0.115 1
1 864 . 18 1 1 A 76 76 ARG CA C 76 59.188 57.661 1.527 1
1 865 . 18 1 1 A 76 76 ARG HA H 76 4.094 4.078 0.016 1
1 866 . 18 1 1 A 76 76 ARG CB C 76 29.726 29.382 0.344 1
1 875 . 18 1 1 A 76 76 ARG C C 76 178.373 178.195 0.178 1
1 876 . 18 1 1 A 77 77 LEU N N 77 120.110 119.698 0.412 1
1 877 . 18 1 1 A 77 77 LEU H H 77 8.029 8.355 -0.326 1
1 878 . 18 1 1 A 77 77 LEU CA C 77 59.809 57.930 1.879 1
1 879 . 18 1 1 A 77 77 LEU HA H 77 3.975 4.025 -0.050 1
1 880 . 18 1 1 A 77 77 LEU CB C 77 42.216 41.446 0.770 1
1 893 . 18 1 1 A 77 77 LEU C C 77 178.810 179.154 -0.344 1
1 894 . 18 1 1 A 78 78 GLN N N 78 114.090 118.237 -4.147 1
1 895 . 18 1 1 A 78 78 GLN H H 78 7.680 8.199 -0.519 1
1 896 . 18 1 1 A 78 78 GLN CA C 78 59.600 58.829 0.771 1
1 897 . 18 1 1 A 78 78 GLN HA H 78 3.915 4.080 -0.165 1
1 898 . 18 1 1 A 78 78 GLN CB C 78 30.101 28.294 1.807 1
1 907 . 18 1 1 A 78 78 GLN C C 78 178.325 178.080 0.245 1
1 908 . 18 1 1 A 79 79 ALA N N 79 119.863 121.444 -1.581 1
1 909 . 18 1 1 A 79 79 ALA H H 79 7.900 7.464 0.436 1
1 910 . 18 1 1 A 79 79 ALA CA C 79 54.321 53.909 0.412 1
1 911 . 18 1 1 A 79 79 ALA HA H 79 4.255 4.127 0.128 1
1 912 . 18 1 1 A 79 79 ALA CB C 79 18.596 18.397 0.199 1
1 916 . 18 1 1 A 79 79 ALA C C 79 179.514 178.419 1.095 1
1 917 . 18 1 1 A 80 80 GLU N N 80 115.847 114.655 1.192 1
1 918 . 18 1 1 A 80 80 GLU H H 80 7.773 7.569 0.204 1
1 919 . 18 1 1 A 80 80 GLU CA C 80 57.312 56.661 0.651 1
1 920 . 18 1 1 A 80 80 GLU HA H 80 4.286 4.148 0.138 1
1 921 . 18 1 1 A 80 80 GLU CB C 80 31.095 30.389 0.706 1
1 927 . 18 1 1 A 80 80 GLU C C 80 176.965 176.764 0.201 1
1 928 . 18 1 1 A 81 81 TRP N N 81 122.132 123.044 -0.912 1
1 929 . 18 1 1 A 81 81 TRP H H 81 7.661 7.432 0.229 1
1 930 . 18 1 1 A 81 81 TRP CA C 81 58.641 55.958 2.683 1
1 931 . 18 1 1 A 81 81 TRP HA H 81 4.261 4.752 -0.491 1
1 932 . 18 1 1 A 81 81 TRP CB C 81 29.118 29.260 -0.142 1
1 947 . 18 1 1 A 81 81 TRP C C 81 174.611 174.931 -0.320 1
1 948 . 18 1 1 A 82 82 HIS CA C 82 54.101 53.925 0.176 1
1 949 . 18 1 1 A 82 82 HIS HA H 82 4.727 4.809 -0.082 1
1 950 . 18 1 1 A 82 82 HIS CB C 82 30.847 32.402 -1.555 1
1 957 . 18 1 1 A 83 83 ASP CA C 83 54.997 54.879 0.118 1
1 958 . 18 1 1 A 83 83 ASP HA H 83 4.342 3.971 0.371 1
1 959 . 18 1 1 A 83 83 ASP CB C 83 40.395 39.432 0.963 1
1 962 . 18 1 1 A 83 83 ASP C C 83 174.198 174.642 -0.444 1
1 963 . 18 1 1 A 84 84 SER N N 84 111.986 113.013 -1.027 1
1 964 . 18 1 1 A 84 84 SER H H 84 7.863 7.570 0.293 1
1 965 . 18 1 1 A 84 84 SER CA C 84 56.714 57.702 -0.988 1
1 966 . 18 1 1 A 84 84 SER HA H 84 4.584 4.931 -0.347 1
1 967 . 18 1 1 A 84 84 SER CB C 84 64.374 66.145 -1.771 1
1 970 . 18 1 1 A 84 84 SER C C 84 174.489 173.564 0.925 1
1 971 . 18 1 1 A 85 85 ASP N N 85 125.547 122.988 2.559 1
1 972 . 18 1 1 A 85 85 ASP H H 85 9.268 8.569 0.699 1
1 973 . 18 1 1 A 85 85 ASP CA C 85 55.447 55.581 -0.134 1
1 974 . 18 1 1 A 85 85 ASP HA H 85 4.704 4.780 -0.076 1
1 975 . 18 1 1 A 85 85 ASP CB C 85 40.980 41.375 -0.395 1
1 978 . 18 1 1 A 85 85 ASP C C 85 177.038 176.796 0.242 1
1 979 . 18 1 1 A 86 86 TRP N N 86 121.831 119.602 2.229 1
1 980 . 18 1 1 A 86 86 TRP H H 86 9.345 8.113 1.232 1
1 981 . 18 1 1 A 86 86 TRP CA C 86 56.967 57.144 -0.177 1
1 982 . 18 1 1 A 86 86 TRP HA H 86 5.091 5.082 0.009 1
1 983 . 18 1 1 A 86 86 TRP CB C 86 29.118 31.870 -2.752 1
1 998 . 18 1 1 A 86 86 TRP C C 86 176.723 176.882 -0.159 1
1 999 . 18 1 1 A 87 87 ILE N N 87 123.116 122.461 0.655 1
1 1000 . 18 1 1 A 87 87 ILE H H 87 8.965 9.000 -0.035 1
1 1001 . 18 1 1 A 87 87 ILE CA C 87 60.595 60.295 0.300 1
1 1002 . 18 1 1 A 87 87 ILE HA H 87 4.462 4.843 -0.381 1
1 1003 . 18 1 1 A 87 87 ILE CB C 87 40.354 40.376 -0.022 1
1 1016 . 18 1 1 A 87 87 ILE C C 87 175.824 174.370 1.454 1
1 1017 . 18 1 1 A 88 88 LEU N N 88 134.475 130.676 3.799 1
1 1018 . 18 1 1 A 88 88 LEU H H 88 8.736 9.045 -0.309 1
1 1019 . 18 1 1 A 88 88 LEU CA C 88 53.763 53.456 0.307 1
1 1020 . 18 1 1 A 88 88 LEU HA H 88 5.163 4.796 0.367 1
1 1021 . 18 1 1 A 88 88 LEU CB C 88 43.020 43.907 -0.887 1
1 1034 . 18 1 1 A 88 88 LEU C C 88 175.824 175.048 0.776 1
1 1035 . 18 1 1 A 89 89 SER N N 89 122.016 124.059 -2.043 1
1 1036 . 18 1 1 A 89 89 SER H H 89 9.152 8.594 0.558 1
1 1037 . 18 1 1 A 89 89 SER CA C 89 57.242 57.270 -0.028 1
1 1038 . 18 1 1 A 89 89 SER HA H 89 4.739 5.258 -0.519 1
1 1039 . 18 1 1 A 89 89 SER CB C 89 65.526 66.291 -0.765 1
1 1042 . 18 1 1 A 89 89 SER C C 89 171.989 172.377 -0.388 1
1 1043 . 18 1 1 A 90 90 VAL N N 90 119.844 122.106 -2.262 1
1 1044 . 18 1 1 A 90 90 VAL H H 90 8.220 8.842 -0.622 1
1 1045 . 18 1 1 A 90 90 VAL CA C 90 59.143 58.879 0.264 1
1 1046 . 18 1 1 A 90 90 VAL HA H 90 4.604 4.683 -0.079 1
1 1047 . 18 1 1 A 90 90 VAL CB C 90 33.056 33.272 -0.216 1
1 1057 . 18 1 1 A 90 90 VAL C C 90 174.198 174.776 -0.578 1
1 1058 . 18 1 1 A 91 91 PRO CA C 91 63.467 62.280 1.187 1
1 1059 . 18 1 1 A 91 91 PRO HA H 91 4.329 4.699 -0.370 1
1 1060 . 18 1 1 A 91 91 PRO CB C 91 32.003 33.078 -1.075 1
1 1069 . 18 1 1 A 91 91 PRO C C 91 175.557 176.019 -0.462 1
1 1 . 19 1 1 A 6 6 SER CA C 6 58.720 58.773 -0.053 1
1 2 . 19 1 1 A 6 6 SER HA H 6 4.456 4.388 0.068 1
1 3 . 19 1 1 A 6 6 SER CB C 6 63.880 63.421 0.459 1
1 6 . 19 1 1 A 6 6 SER C C 6 174.951 174.494 0.457 1
1 7 . 19 1 1 A 7 7 GLY N N 7 110.558 109.323 1.235 1
1 8 . 19 1 1 A 7 7 GLY H H 7 8.377 7.816 0.561 1
1 9 . 19 1 1 A 7 7 GLY CA C 7 45.205 46.775 -1.570 1
1 10 . 19 1 1 A 7 7 GLY HA2 H 7 3.879 3.685 0.194 1
1 11 . 19 1 1 A 7 7 GLY HA3 H 7 3.910 3.897 0.013 1
1 12 . 19 1 1 A 7 7 GLY C C 7 173.615 174.378 -0.763 1
1 13 . 19 1 1 A 8 8 PHE N N 8 119.857 110.828 9.029 1
1 14 . 19 1 1 A 8 8 PHE H H 8 8.062 8.116 -0.054 1
1 15 . 19 1 1 A 8 8 PHE CA C 8 57.418 59.025 -1.607 1
1 16 . 19 1 1 A 8 8 PHE HA H 8 4.624 4.067 0.557 1
1 17 . 19 1 1 A 8 8 PHE CB C 8 39.749 36.612 3.137 1
1 30 . 19 1 1 A 8 8 PHE C C 8 175.242 174.830 0.412 1
1 31 . 19 1 1 A 9 9 GLU N N 9 124.807 110.643 14.164 1
1 32 . 19 1 1 A 9 9 GLU H H 9 8.311 8.488 -0.177 1
1 33 . 19 1 1 A 9 9 GLU CA C 9 54.034 57.863 -3.829 1
1 34 . 19 1 1 A 9 9 GLU HA H 9 4.546 4.483 0.063 1
1 35 . 19 1 1 A 9 9 GLU CB C 9 29.859 28.779 1.080 1
1 40 . 19 1 1 A 9 9 GLU C C 9 174.125 175.227 -1.102 1
1 41 . 19 1 1 A 10 10 PRO CA C 10 63.366 63.022 0.344 1
1 42 . 19 1 1 A 10 10 PRO HA H 10 4.334 4.609 -0.275 1
1 43 . 19 1 1 A 10 10 PRO CB C 10 32.033 31.751 0.282 1
1 52 . 19 1 1 A 10 10 PRO C C 10 177.062 176.320 0.742 1
1 53 . 19 1 1 A 11 11 ARG N N 11 120.726 124.582 -3.856 1
1 54 . 19 1 1 A 11 11 ARG H H 11 8.477 8.622 -0.145 1
1 55 . 19 1 1 A 11 11 ARG CA C 11 56.175 54.560 1.615 1
1 56 . 19 1 1 A 11 11 ARG HA H 11 4.318 4.963 -0.645 1
1 57 . 19 1 1 A 11 11 ARG CB C 11 30.831 33.688 -2.857 1
1 66 . 19 1 1 A 11 11 ARG C C 11 176.455 174.921 1.534 1
1 67 . 19 1 1 A 12 12 SER N N 12 116.599 116.029 0.570 1
1 68 . 19 1 1 A 12 12 SER H H 12 8.289 8.630 -0.341 1
1 69 . 19 1 1 A 12 12 SER CA C 12 58.330 57.493 0.837 1
1 70 . 19 1 1 A 12 12 SER HA H 12 4.396 5.058 -0.662 1
1 71 . 19 1 1 A 12 12 SER CB C 12 63.633 67.204 -3.571 1
1 74 . 19 1 1 A 12 12 SER C C 12 174.465 173.075 1.390 1
1 75 . 19 1 1 A 13 13 LEU N N 13 124.186 122.432 1.754 1
1 76 . 19 1 1 A 13 13 LEU H H 13 8.275 8.575 -0.300 1
1 77 . 19 1 1 A 13 13 LEU CA C 13 55.306 54.806 0.500 1
1 78 . 19 1 1 A 13 13 LEU HA H 13 4.361 4.773 -0.412 1
1 79 . 19 1 1 A 13 13 LEU CB C 13 42.350 43.657 -1.307 1
1 92 . 19 1 1 A 13 13 LEU C C 13 177.184 174.757 2.427 1
1 93 . 19 1 1 A 14 14 ILE N N 14 121.445 127.268 -5.823 1
1 94 . 19 1 1 A 14 14 ILE H H 14 8.106 8.806 -0.700 1
1 95 . 19 1 1 A 14 14 ILE CA C 14 61.248 60.167 1.081 1
1 96 . 19 1 1 A 14 14 ILE HA H 14 4.202 4.477 -0.275 1
1 97 . 19 1 1 A 14 14 ILE CB C 14 38.555 39.384 -0.829 1
1 110 . 19 1 1 A 14 14 ILE C C 14 176.528 175.707 0.821 1
1 111 . 19 1 1 A 15 15 THR N N 15 118.053 122.964 -4.911 1
1 112 . 19 1 1 A 15 15 THR H H 15 8.226 8.819 -0.593 1
1 113 . 19 1 1 A 15 15 THR CA C 15 61.573 62.378 -0.805 1
1 114 . 19 1 1 A 15 15 THR HA H 15 4.401 4.268 0.133 1
1 115 . 19 1 1 A 15 15 THR CB C 15 69.795 69.024 0.771 1
1 121 . 19 1 1 A 15 15 THR C C 15 174.538 173.226 1.312 1
1 122 . 19 1 1 A 16 16 SER N N 16 117.877 117.484 0.393 1
1 123 . 19 1 1 A 16 16 SER H H 16 8.272 8.440 -0.168 1
1 124 . 19 1 1 A 16 16 SER CA C 16 55.830 57.856 -2.026 1
1 125 . 19 1 1 A 16 16 SER HA H 16 4.448 4.634 -0.186 1
1 126 . 19 1 1 A 16 16 SER CB C 16 63.880 63.828 0.052 1
1 129 . 19 1 1 A 16 16 SER C C 16 174.247 173.022 1.225 1
1 130 . 19 1 1 A 17 17 ASP N N 17 122.892 123.779 -0.887 1
1 131 . 19 1 1 A 17 17 ASP H H 17 8.425 8.427 -0.002 1
1 132 . 19 1 1 A 17 17 ASP CA C 17 54.461 55.094 -0.633 1
1 133 . 19 1 1 A 17 17 ASP HA H 17 4.611 4.546 0.065 1
1 134 . 19 1 1 A 17 17 ASP CB C 17 41.340 41.022 0.318 1
1 137 . 19 1 1 A 17 17 ASP C C 17 176.358 175.820 0.538 1
1 138 . 19 1 1 A 18 18 LYS N N 18 121.459 123.760 -2.301 1
1 139 . 19 1 1 A 18 18 LYS H H 18 8.349 8.319 0.030 1
1 140 . 19 1 1 A 18 18 LYS CA C 18 56.526 55.289 1.237 1
1 141 . 19 1 1 A 18 18 LYS HA H 18 4.356 4.588 -0.232 1
1 142 . 19 1 1 A 18 18 LYS CB C 18 32.744 33.949 -1.205 1
1 152 . 19 1 1 A 18 18 LYS C C 18 177.305 176.457 0.848 1
1 153 . 19 1 1 A 19 19 GLY N N 19 109.072 115.466 -6.394 1
1 154 . 19 1 1 A 19 19 GLY H H 19 8.533 9.010 -0.477 1
1 155 . 19 1 1 A 19 19 GLY CA C 19 45.451 46.149 -0.698 1
1 156 . 19 1 1 A 19 19 GLY HA2 H 19 3.884 3.990 -0.106 1
1 157 . 19 1 1 A 19 19 GLY HA3 H 19 3.960 4.052 -0.092 1
1 158 . 19 1 1 A 19 19 GLY C C 19 174.028 174.528 -0.500 1
1 159 . 19 1 1 A 20 20 PHE N N 20 119.395 119.680 -0.285 1
1 160 . 19 1 1 A 20 20 PHE H H 20 8.014 7.947 0.067 1
1 161 . 19 1 1 A 20 20 PHE CA C 20 56.992 57.443 -0.451 1
1 162 . 19 1 1 A 20 20 PHE HA H 20 5.166 4.914 0.252 1
1 163 . 19 1 1 A 20 20 PHE CB C 20 43.122 42.020 1.102 1
1 176 . 19 1 1 A 20 20 PHE C C 20 174.247 174.910 -0.663 1
1 177 . 19 1 1 A 21 21 VAL N N 21 119.613 118.804 0.809 1
1 178 . 19 1 1 A 21 21 VAL H H 21 9.282 8.837 0.445 1
1 179 . 19 1 1 A 21 21 VAL CA C 21 60.286 60.340 -0.054 1
1 180 . 19 1 1 A 21 21 VAL HA H 21 4.403 4.734 -0.331 1
1 181 . 19 1 1 A 21 21 VAL CB C 21 35.624 35.509 0.115 1
1 191 . 19 1 1 A 21 21 VAL C C 21 174.077 173.754 0.323 1
1 192 . 19 1 1 A 22 22 THR N N 22 123.150 122.063 1.087 1
1 193 . 19 1 1 A 22 22 THR H H 22 8.226 8.706 -0.480 1
1 194 . 19 1 1 A 22 22 THR CA C 22 61.672 61.689 -0.017 1
1 195 . 19 1 1 A 22 22 THR HA H 22 5.214 5.089 0.125 1
1 196 . 19 1 1 A 22 22 THR CB C 22 69.636 70.536 -0.900 1
1 202 . 19 1 1 A 22 22 THR C C 22 174.319 173.692 0.627 1
1 203 . 19 1 1 A 23 23 MET N N 23 125.701 123.737 1.964 1
1 204 . 19 1 1 A 23 23 MET H H 23 9.254 9.140 0.114 1
1 205 . 19 1 1 A 23 23 MET CA C 23 54.250 53.963 0.287 1
1 206 . 19 1 1 A 23 23 MET HA H 23 4.680 5.245 -0.565 1
1 207 . 19 1 1 A 23 23 MET CB C 23 34.967 36.773 -1.806 1
1 217 . 19 1 1 A 23 23 MET C C 23 174.028 174.337 -0.309 1
1 218 . 19 1 1 A 24 24 THR N N 24 109.251 115.053 -5.802 1
1 219 . 19 1 1 A 24 24 THR H H 24 8.410 8.154 0.256 1
1 220 . 19 1 1 A 24 24 THR CA C 24 59.952 61.079 -1.127 1
1 221 . 19 1 1 A 24 24 THR HA H 24 4.838 4.974 -0.136 1
1 222 . 19 1 1 A 24 24 THR CB C 24 71.427 72.556 -1.129 1
1 228 . 19 1 1 A 24 24 THR C C 24 172.353 173.123 -0.770 1
1 229 . 19 1 1 A 25 25 LEU N N 25 125.384 125.489 -0.105 1
1 230 . 19 1 1 A 25 25 LEU H H 25 8.901 8.523 0.378 1
1 231 . 19 1 1 A 25 25 LEU CA C 25 53.373 54.150 -0.777 1
1 232 . 19 1 1 A 25 25 LEU HA H 25 5.333 4.776 0.557 1
1 233 . 19 1 1 A 25 25 LEU CB C 25 45.607 45.055 0.552 1
1 246 . 19 1 1 A 25 25 LEU C C 25 175.606 174.601 1.005 1
1 247 . 19 1 1 A 26 26 GLU N N 26 125.482 127.117 -1.635 1
1 248 . 19 1 1 A 26 26 GLU H H 26 9.147 8.581 0.566 1
1 249 . 19 1 1 A 26 26 GLU CA C 26 56.010 55.483 0.527 1
1 250 . 19 1 1 A 26 26 GLU HA H 26 4.922 4.729 0.193 1
1 251 . 19 1 1 A 26 26 GLU CB C 26 33.588 30.544 3.044 1
1 257 . 19 1 1 A 26 26 GLU C C 26 175.387 176.503 -1.116 1
1 258 . 19 1 1 A 27 27 SER N N 27 118.827 120.831 -2.004 1
1 259 . 19 1 1 A 27 27 SER H H 27 8.432 8.728 -0.296 1
1 260 . 19 1 1 A 27 27 SER CA C 27 55.236 56.787 -1.551 1
1 261 . 19 1 1 A 27 27 SER HA H 27 3.720 3.746 -0.026 1
1 262 . 19 1 1 A 27 27 SER CB C 27 63.703 65.095 -1.392 1
1 265 . 19 1 1 A 27 27 SER C C 27 173.980 175.305 -1.325 1
1 266 . 19 1 1 A 28 28 LEU N N 28 121.319 117.721 3.598 1
1 267 . 19 1 1 A 28 28 LEU H H 28 7.990 8.117 -0.127 1
1 268 . 19 1 1 A 28 28 LEU CA C 28 55.887 54.388 1.499 1
1 269 . 19 1 1 A 28 28 LEU HA H 28 4.071 4.447 -0.376 1
1 270 . 19 1 1 A 28 28 LEU CB C 28 42.184 43.284 -1.100 1
1 283 . 19 1 1 A 28 28 LEU C C 28 177.159 176.253 0.906 1
1 284 . 19 1 1 A 29 29 GLU N N 29 115.740 118.184 -2.444 1
1 285 . 19 1 1 A 29 29 GLU H H 29 7.458 7.434 0.024 1
1 286 . 19 1 1 A 29 29 GLU CA C 29 53.658 55.131 -1.473 1
1 287 . 19 1 1 A 29 29 GLU HA H 29 4.444 4.544 -0.100 1
1 288 . 19 1 1 A 29 29 GLU CB C 29 33.209 33.485 -0.276 1
1 294 . 19 1 1 A 29 29 GLU C C 29 174.417 174.934 -0.517 1
1 295 . 19 1 1 A 30 30 GLU N N 30 122.052 120.915 1.137 1
1 296 . 19 1 1 A 30 30 GLU H H 30 8.500 8.450 0.050 1
1 297 . 19 1 1 A 30 30 GLU CA C 30 57.621 57.173 0.448 1
1 298 . 19 1 1 A 30 30 GLU HA H 30 4.297 4.518 -0.221 1
1 299 . 19 1 1 A 30 30 GLU CB C 30 30.403 30.503 -0.100 1
1 305 . 19 1 1 A 30 30 GLU C C 30 177.087 176.612 0.475 1
1 306 . 19 1 1 A 31 31 ILE N N 31 120.377 118.326 2.051 1
1 307 . 19 1 1 A 31 31 ILE H H 31 8.828 8.662 0.166 1
1 308 . 19 1 1 A 31 31 ILE CA C 31 59.741 58.355 1.386 1
1 309 . 19 1 1 A 31 31 ILE HA H 31 4.680 4.776 -0.096 1
1 310 . 19 1 1 A 31 31 ILE CB C 31 40.845 40.855 -0.010 1
1 323 . 19 1 1 A 31 31 ILE C C 31 175.776 177.097 -1.321 1
1 324 . 19 1 1 A 32 32 GLN N N 32 119.444 121.293 -1.849 1
1 325 . 19 1 1 A 32 32 GLN H H 32 8.668 8.327 0.341 1
1 326 . 19 1 1 A 32 32 GLN CA C 32 57.277 58.104 -0.827 1
1 327 . 19 1 1 A 32 32 GLN HA H 32 4.302 4.249 0.053 1
1 328 . 19 1 1 A 32 32 GLN CB C 32 30.079 29.871 0.208 1
1 337 . 19 1 1 A 32 32 GLN C C 32 175.824 175.493 0.331 1
1 338 . 19 1 1 A 33 33 ASP N N 33 113.908 115.220 -1.312 1
1 339 . 19 1 1 A 33 33 ASP H H 33 7.684 7.833 -0.149 1
1 340 . 19 1 1 A 33 33 ASP CA C 33 53.441 52.982 0.459 1
1 341 . 19 1 1 A 33 33 ASP HA H 33 4.754 4.786 -0.032 1
1 342 . 19 1 1 A 33 33 ASP CB C 33 43.727 43.620 0.107 1
1 345 . 19 1 1 A 33 33 ASP C C 33 175.824 175.703 0.121 1
1 346 . 19 1 1 A 34 34 VAL N N 34 114.196 121.723 -7.527 1
1 347 . 19 1 1 A 34 34 VAL H H 34 8.640 8.769 -0.129 1
1 348 . 19 1 1 A 34 34 VAL CA C 34 64.836 64.720 0.116 1
1 349 . 19 1 1 A 34 34 VAL HA H 34 3.910 3.884 0.026 1
1 350 . 19 1 1 A 34 34 VAL CB C 34 31.539 31.503 0.036 1
1 360 . 19 1 1 A 34 34 VAL C C 34 177.669 177.821 -0.152 1
1 361 . 19 1 1 A 35 35 SER N N 35 120.001 116.721 3.280 1
1 362 . 19 1 1 A 35 35 SER H H 35 9.274 8.488 0.786 1
1 363 . 19 1 1 A 35 35 SER CA C 35 62.276 61.437 0.839 1
1 364 . 19 1 1 A 35 35 SER HA H 35 4.448 4.326 0.122 1
1 365 . 19 1 1 A 35 35 SER CB C 35 62.255 62.490 -0.235 1
1 368 . 19 1 1 A 35 35 SER C C 35 177.305 176.755 0.550 1
1 369 . 19 1 1 A 36 36 CYS N N 36 120.840 119.803 1.037 1
1 370 . 19 1 1 A 36 36 CYS H H 36 7.894 8.007 -0.113 1
1 371 . 19 1 1 A 36 36 CYS CA C 36 62.416 62.627 -0.211 1
1 372 . 19 1 1 A 36 36 CYS HA H 36 4.310 4.244 0.066 1
1 373 . 19 1 1 A 36 36 CYS CB C 36 28.189 26.394 1.795 1
1 376 . 19 1 1 A 36 36 CYS C C 36 177.257 177.178 0.079 1
1 377 . 19 1 1 A 37 37 ALA N N 37 122.247 121.470 0.777 1
1 378 . 19 1 1 A 37 37 ALA H H 37 7.343 7.829 -0.486 1
1 379 . 19 1 1 A 37 37 ALA CA C 37 54.145 54.898 -0.753 1
1 380 . 19 1 1 A 37 37 ALA HA H 37 3.546 3.770 -0.224 1
1 381 . 19 1 1 A 37 37 ALA CB C 37 20.009 18.478 1.531 1
1 385 . 19 1 1 A 37 37 ALA C C 37 178.883 179.998 -1.115 1
1 386 . 19 1 1 A 38 38 TRP N N 38 117.352 118.655 -1.303 1
1 387 . 19 1 1 A 38 38 TRP H H 38 7.937 8.642 -0.705 1
1 388 . 19 1 1 A 38 38 TRP CA C 38 60.600 60.004 0.596 1
1 389 . 19 1 1 A 38 38 TRP HA H 38 4.276 4.434 -0.158 1
1 390 . 19 1 1 A 38 38 TRP CB C 38 29.693 29.113 0.580 1
1 405 . 19 1 1 A 38 38 TRP C C 38 178.664 179.307 -0.643 1
1 406 . 19 1 1 A 39 39 LYS N N 39 117.638 118.806 -1.168 1
1 407 . 19 1 1 A 39 39 LYS H H 39 8.102 8.310 -0.208 1
1 408 . 19 1 1 A 39 39 LYS CA C 39 60.009 59.336 0.673 1
1 409 . 19 1 1 A 39 39 LYS HA H 39 4.031 4.018 0.013 1
1 410 . 19 1 1 A 39 39 LYS CB C 39 32.471 31.814 0.657 1
1 421 . 19 1 1 A 39 39 LYS C C 39 178.713 179.244 -0.531 1
1 422 . 19 1 1 A 40 40 GLU N N 40 120.486 119.374 1.112 1
1 423 . 19 1 1 A 40 40 GLU H H 40 6.821 7.683 -0.862 1
1 424 . 19 1 1 A 40 40 GLU CA C 40 58.486 58.820 -0.334 1
1 425 . 19 1 1 A 40 40 GLU HA H 40 4.350 4.182 0.168 1
1 426 . 19 1 1 A 40 40 GLU CB C 40 28.459 29.343 -0.884 1
1 432 . 19 1 1 A 40 40 GLU C C 40 178.543 179.184 -0.641 1
1 433 . 19 1 1 A 41 41 LEU N N 41 119.356 120.359 -1.003 1
1 434 . 19 1 1 A 41 41 LEU H H 41 8.291 8.580 -0.289 1
1 435 . 19 1 1 A 41 41 LEU CA C 41 59.002 58.047 0.955 1
1 436 . 19 1 1 A 41 41 LEU HA H 41 3.947 4.227 -0.280 1
1 437 . 19 1 1 A 41 41 LEU CB C 41 41.914 41.391 0.523 1
1 450 . 19 1 1 A 41 41 LEU C C 41 178.106 179.346 -1.240 1
1 451 . 19 1 1 A 42 42 ASN N N 42 113.310 116.936 -3.626 1
1 452 . 19 1 1 A 42 42 ASN H H 42 8.350 8.362 -0.012 1
1 453 . 19 1 1 A 42 42 ASN CA C 42 55.623 56.443 -0.820 1
1 454 . 19 1 1 A 42 42 ASN HA H 42 4.420 4.525 -0.105 1
1 455 . 19 1 1 A 42 42 ASN CB C 42 39.318 38.039 1.279 1
1 461 . 19 1 1 A 42 42 ASN C C 42 176.820 177.193 -0.373 1
1 462 . 19 1 1 A 43 43 ARG N N 43 117.734 117.431 0.303 1
1 463 . 19 1 1 A 43 43 ARG H H 43 7.578 8.224 -0.646 1
1 464 . 19 1 1 A 43 43 ARG CA C 43 58.301 56.793 1.508 1
1 465 . 19 1 1 A 43 43 ARG HA H 43 4.227 4.335 -0.108 1
1 466 . 19 1 1 A 43 43 ARG CB C 43 31.361 30.529 0.832 1
1 475 . 19 1 1 A 43 43 ARG C C 43 178.106 177.457 0.649 1
1 476 . 19 1 1 A 44 44 LYS N N 44 115.502 117.120 -1.618 1
1 477 . 19 1 1 A 44 44 LYS H H 44 7.365 7.592 -0.227 1
1 478 . 19 1 1 A 44 44 LYS CA C 44 55.367 55.377 -0.010 1
1 479 . 19 1 1 A 44 44 LYS HA H 44 4.280 4.456 -0.176 1
1 480 . 19 1 1 A 44 44 LYS CB C 44 34.289 33.995 0.294 1
1 491 . 19 1 1 A 44 44 LYS C C 44 176.504 175.555 0.949 1
1 492 . 19 1 1 A 45 45 LEU N N 45 118.486 120.892 -2.406 1
1 493 . 19 1 1 A 45 45 LEU H H 45 7.977 7.206 0.771 1
1 494 . 19 1 1 A 45 45 LEU CA C 45 53.335 53.313 0.022 1
1 495 . 19 1 1 A 45 45 LEU HA H 45 4.882 4.859 0.023 1
1 496 . 19 1 1 A 45 45 LEU CB C 45 45.307 46.132 -0.825 1
1 509 . 19 1 1 A 45 45 LEU C C 45 176.771 176.146 0.625 1
1 510 . 19 1 1 A 46 46 SER N N 46 116.809 115.019 1.790 1
1 511 . 19 1 1 A 46 46 SER H H 46 9.074 8.917 0.157 1
1 512 . 19 1 1 A 46 46 SER CA C 46 57.981 57.397 0.584 1
1 513 . 19 1 1 A 46 46 SER HA H 46 4.407 4.690 -0.283 1
1 514 . 19 1 1 A 46 46 SER CB C 46 64.496 64.284 0.212 1
1 517 . 19 1 1 A 46 46 SER C C 46 175.387 175.736 -0.349 1
1 518 . 19 1 1 A 47 47 SER N N 47 117.511 119.638 -2.127 1
1 519 . 19 1 1 A 47 47 SER H H 47 8.955 9.014 -0.059 1
1 520 . 19 1 1 A 47 47 SER CA C 47 61.523 61.871 -0.348 1
1 521 . 19 1 1 A 47 47 SER HA H 47 4.197 4.077 0.120 1
1 522 . 19 1 1 A 47 47 SER CB C 47 62.412 62.851 -0.439 1
1 525 . 19 1 1 A 48 48 ASN H H 48 8.475 7.937 0.538 1
1 526 . 19 1 1 A 48 48 ASN CA C 48 56.327 55.873 0.454 1
1 527 . 19 1 1 A 48 48 ASN HA H 48 4.421 4.469 -0.048 1
1 528 . 19 1 1 A 48 48 ASN CB C 48 38.635 38.789 -0.154 1
1 534 . 19 1 1 A 48 48 ASN C C 48 177.232 177.113 0.119 1
1 535 . 19 1 1 A 49 49 ALA N N 49 123.504 121.678 1.826 1
1 536 . 19 1 1 A 49 49 ALA H H 49 7.837 8.149 -0.312 1
1 537 . 19 1 1 A 49 49 ALA CA C 49 55.271 55.389 -0.118 1
1 538 . 19 1 1 A 49 49 ALA HA H 49 4.171 4.047 0.124 1
1 539 . 19 1 1 A 49 49 ALA CB C 49 19.301 17.978 1.323 1
1 543 . 19 1 1 A 49 49 ALA C C 49 179.830 180.079 -0.249 1
1 544 . 19 1 1 A 50 50 VAL N N 50 115.694 116.549 -0.855 1
1 545 . 19 1 1 A 50 50 VAL H H 50 8.069 8.287 -0.218 1
1 546 . 19 1 1 A 50 50 VAL CA C 50 65.728 64.382 1.346 1
1 547 . 19 1 1 A 50 50 VAL HA H 50 3.645 3.839 -0.194 1
1 548 . 19 1 1 A 50 50 VAL CB C 50 31.836 31.738 0.098 1
1 558 . 19 1 1 A 50 50 VAL C C 50 178.567 177.181 1.386 1
1 559 . 19 1 1 A 51 51 SER N N 51 114.048 116.866 -2.818 1
1 560 . 19 1 1 A 51 51 SER H H 51 7.849 7.817 0.032 1
1 561 . 19 1 1 A 51 51 SER CA C 51 60.756 61.098 -0.342 1
1 562 . 19 1 1 A 51 51 SER HA H 51 4.334 4.232 0.102 1
1 563 . 19 1 1 A 51 51 SER CB C 51 63.383 63.103 0.280 1
1 565 . 19 1 1 A 51 51 SER C C 51 174.635 176.989 -2.354 1
1 566 . 19 1 1 A 52 52 GLN N N 52 118.482 117.671 0.811 1
1 567 . 19 1 1 A 52 52 GLN H H 52 7.564 7.702 -0.138 1
1 568 . 19 1 1 A 52 52 GLN CA C 52 55.306 58.065 -2.759 1
1 569 . 19 1 1 A 52 52 GLN HA H 52 4.389 4.281 0.108 1
1 570 . 19 1 1 A 52 52 GLN CB C 52 29.217 28.893 0.324 1
1 579 . 19 1 1 A 52 52 GLN C C 52 175.315 176.983 -1.668 1
1 580 . 19 1 1 A 53 53 ILE N N 53 119.847 122.139 -2.292 1
1 581 . 19 1 1 A 53 53 ILE H H 53 7.281 7.371 -0.090 1
1 582 . 19 1 1 A 53 53 ILE CA C 53 62.903 62.407 0.496 1
1 583 . 19 1 1 A 53 53 ILE HA H 53 4.417 3.898 0.519 1
1 584 . 19 1 1 A 53 53 ILE CB C 53 38.124 37.260 0.864 1
1 597 . 19 1 1 A 53 53 ILE C C 53 176.383 175.485 0.898 1
1 598 . 19 1 1 A 54 54 THR N N 54 120.582 120.706 -0.124 1
1 599 . 19 1 1 A 54 54 THR H H 54 9.046 9.028 0.018 1
1 600 . 19 1 1 A 54 54 THR CA C 54 59.846 59.667 0.179 1
1 601 . 19 1 1 A 54 54 THR HA H 54 4.834 4.839 -0.005 1
1 602 . 19 1 1 A 54 54 THR CB C 54 71.904 72.058 -0.154 1
1 608 . 19 1 1 A 54 54 THR C C 54 172.135 173.465 -1.330 1
1 609 . 19 1 1 A 55 55 ARG N N 55 118.375 122.264 -3.889 1
1 610 . 19 1 1 A 55 55 ARG H H 55 8.511 8.803 -0.292 1
1 611 . 19 1 1 A 55 55 ARG CA C 55 57.312 56.813 0.499 1
1 612 . 19 1 1 A 55 55 ARG HA H 55 3.782 3.751 0.031 1
1 613 . 19 1 1 A 55 55 ARG CB C 55 28.704 27.819 0.885 1
1 622 . 19 1 1 A 55 55 ARG C C 55 174.684 174.907 -0.223 1
1 623 . 19 1 1 A 56 56 MET N N 56 118.525 117.709 0.816 1
1 624 . 19 1 1 A 56 56 MET H H 56 8.279 7.910 0.369 1
1 625 . 19 1 1 A 56 56 MET CA C 56 55.799 56.075 -0.276 1
1 626 . 19 1 1 A 56 56 MET HA H 56 5.188 4.692 0.496 1
1 627 . 19 1 1 A 56 56 MET CB C 56 33.062 33.155 -0.093 1
1 637 . 19 1 1 A 56 56 MET C C 56 177.572 175.058 2.514 1
1 638 . 19 1 1 A 57 57 CYS N N 57 126.541 124.859 1.682 1
1 639 . 19 1 1 A 57 57 CYS H H 57 9.340 9.229 0.111 1
1 640 . 19 1 1 A 57 57 CYS CA C 57 57.171 57.565 -0.394 1
1 641 . 19 1 1 A 57 57 CYS HA H 57 4.794 5.216 -0.422 1
1 642 . 19 1 1 A 57 57 CYS CB C 57 31.161 32.989 -1.828 1
1 645 . 19 1 1 A 57 57 CYS C C 57 173.057 173.569 -0.512 1
1 646 . 19 1 1 A 58 58 LEU N N 58 123.786 122.983 0.803 1
1 647 . 19 1 1 A 58 58 LEU H H 58 8.682 8.480 0.202 1
1 648 . 19 1 1 A 58 58 LEU CA C 58 55.975 53.789 2.186 1
1 649 . 19 1 1 A 58 58 LEU HA H 58 4.520 4.851 -0.331 1
1 650 . 19 1 1 A 58 58 LEU CB C 58 43.097 42.933 0.164 1
1 663 . 19 1 1 A 58 58 LEU C C 58 177.960 176.489 1.471 1
1 664 . 19 1 1 A 59 59 LEU N N 59 124.007 122.253 1.754 1
1 665 . 19 1 1 A 59 59 LEU H H 59 8.269 8.544 -0.275 1
1 666 . 19 1 1 A 59 59 LEU CA C 59 54.156 53.475 0.681 1
1 667 . 19 1 1 A 59 59 LEU HA H 59 4.261 4.710 -0.449 1
1 668 . 19 1 1 A 59 59 LEU CB C 59 42.986 42.960 0.026 1
1 681 . 19 1 1 A 59 59 LEU C C 59 177.645 176.134 1.511 1
1 682 . 19 1 1 A 60 60 LYS N N 60 122.593 122.283 0.310 1
1 683 . 19 1 1 A 60 60 LYS H H 60 8.458 8.601 -0.143 1
1 684 . 19 1 1 A 60 60 LYS CA C 60 58.263 58.240 0.023 1
1 685 . 19 1 1 A 60 60 LYS HA H 60 4.101 3.856 0.245 1
1 686 . 19 1 1 A 60 60 LYS CB C 60 31.732 32.069 -0.337 1
1 696 . 19 1 1 A 60 60 LYS C C 60 178.422 177.740 0.682 1
1 697 . 19 1 1 A 61 61 GLY H H 61 9.070 8.914 0.156 1
1 698 . 19 1 1 A 61 61 GLY CA C 61 45.355 46.153 -0.798 1
1 699 . 19 1 1 A 61 61 GLY HA2 H 61 3.641 3.890 -0.249 1
1 700 . 19 1 1 A 61 61 GLY HA3 H 61 4.223 3.895 0.328 1
1 701 . 19 1 1 A 61 61 GLY C C 61 173.907 174.269 -0.362 1
1 702 . 19 1 1 A 62 62 ASN N N 62 112.617 111.818 0.799 1
1 703 . 19 1 1 A 62 62 ASN H H 62 8.639 8.197 0.442 1
1 704 . 19 1 1 A 62 62 ASN CA C 62 55.115 54.789 0.326 1
1 705 . 19 1 1 A 62 62 ASN HA H 62 4.208 4.402 -0.194 1
1 706 . 19 1 1 A 62 62 ASN CB C 62 36.133 37.272 -1.139 1
1 712 . 19 1 1 A 62 62 ASN C C 62 173.810 175.219 -1.409 1
1 713 . 19 1 1 A 63 63 MET N N 63 114.254 117.106 -2.852 1
1 714 . 19 1 1 A 63 63 MET H H 63 7.967 7.805 0.162 1
1 715 . 19 1 1 A 63 63 MET CA C 63 53.229 55.902 -2.673 1
1 716 . 19 1 1 A 63 63 MET HA H 63 4.908 4.476 0.432 1
1 717 . 19 1 1 A 63 63 MET CB C 63 29.363 33.346 -3.983 1
1 727 . 19 1 1 A 63 63 MET C C 63 175.436 175.674 -0.238 1
1 728 . 19 1 1 A 64 64 GLY N N 64 102.826 107.409 -4.583 1
1 729 . 19 1 1 A 64 64 GLY H H 64 7.039 7.495 -0.456 1
1 730 . 19 1 1 A 64 64 GLY CA C 64 45.381 45.775 -0.394 1
1 731 . 19 1 1 A 64 64 GLY HA2 H 64 4.902 4.085 0.817 1
1 732 . 19 1 1 A 64 64 GLY HA3 H 64 4.026 4.161 -0.135 1
1 733 . 19 1 1 A 64 64 GLY C C 64 171.868 171.203 0.665 1
1 734 . 19 1 1 A 65 65 VAL N N 65 110.602 116.205 -5.603 1
1 735 . 19 1 1 A 65 65 VAL H H 65 8.994 8.287 0.707 1
1 736 . 19 1 1 A 65 65 VAL CA C 65 58.892 59.248 -0.356 1
1 737 . 19 1 1 A 65 65 VAL HA H 65 5.511 4.967 0.544 1
1 738 . 19 1 1 A 65 65 VAL CB C 65 36.392 36.247 0.145 1
1 748 . 19 1 1 A 65 65 VAL C C 65 174.319 174.240 0.079 1
1 749 . 19 1 1 A 66 66 CYS N N 66 115.721 120.256 -4.535 1
1 750 . 19 1 1 A 66 66 CYS H H 66 9.175 9.156 0.019 1
1 751 . 19 1 1 A 66 66 CYS CA C 66 54.912 56.318 -1.406 1
1 752 . 19 1 1 A 66 66 CYS HA H 66 5.590 5.223 0.367 1
1 753 . 19 1 1 A 66 66 CYS CB C 66 31.672 32.246 -0.574 1
1 756 . 19 1 1 A 66 66 CYS C C 66 171.941 173.086 -1.145 1
1 757 . 19 1 1 A 67 67 PHE N N 67 114.941 117.481 -2.540 1
1 758 . 19 1 1 A 67 67 PHE H H 67 8.220 8.455 -0.235 1
1 759 . 19 1 1 A 67 67 PHE CA C 67 56.468 56.206 0.262 1
1 760 . 19 1 1 A 67 67 PHE HA H 67 4.879 5.134 -0.255 1
1 761 . 19 1 1 A 67 67 PHE CB C 67 39.366 40.550 -1.184 1
1 774 . 19 1 1 A 67 67 PHE C C 67 171.552 171.850 -0.298 1
1 775 . 19 1 1 A 68 68 ASP N N 68 119.507 119.747 -0.240 1
1 776 . 19 1 1 A 68 68 ASP H H 68 9.072 9.206 -0.134 1
1 777 . 19 1 1 A 68 68 ASP CA C 68 52.737 52.795 -0.058 1
1 778 . 19 1 1 A 68 68 ASP HA H 68 5.901 5.881 0.020 1
1 779 . 19 1 1 A 68 68 ASP CB C 68 42.545 44.066 -1.521 1
1 782 . 19 1 1 A 68 68 ASP C C 68 176.116 175.960 0.156 1
1 783 . 19 1 1 A 69 69 VAL N N 69 114.937 117.117 -2.180 1
1 784 . 19 1 1 A 69 69 VAL H H 69 8.819 9.120 -0.301 1
1 785 . 19 1 1 A 69 69 VAL CA C 69 58.051 57.995 0.056 1
1 786 . 19 1 1 A 69 69 VAL HA H 69 5.205 4.882 0.323 1
1 787 . 19 1 1 A 69 69 VAL CB C 69 35.698 34.944 0.754 1
1 797 . 19 1 1 A 69 69 VAL C C 69 173.154 172.752 0.402 1
1 798 . 19 1 1 A 70 70 PRO CA C 70 62.946 61.821 1.125 1
1 799 . 19 1 1 A 70 70 PRO HA H 70 4.479 3.602 0.877 1
1 800 . 19 1 1 A 70 70 PRO CB C 70 32.255 32.237 0.018 1
1 809 . 19 1 1 A 70 70 PRO C C 70 178.737 177.490 1.247 1
1 810 . 19 1 1 A 71 71 THR N N 71 119.743 117.650 2.093 1
1 811 . 19 1 1 A 71 71 THR H H 71 8.401 8.762 -0.361 1
1 812 . 19 1 1 A 71 71 THR CA C 71 66.415 65.286 1.129 1
1 813 . 19 1 1 A 71 71 THR HA H 71 3.761 3.845 -0.084 1
1 814 . 19 1 1 A 71 71 THR CB C 71 68.476 68.320 0.156 1
1 820 . 19 1 1 A 71 71 THR C C 71 176.965 175.562 1.403 1
1 821 . 19 1 1 A 72 72 THR N N 72 109.724 113.555 -3.831 1
1 822 . 19 1 1 A 72 72 THR H H 72 7.747 8.097 -0.350 1
1 823 . 19 1 1 A 72 72 THR CA C 72 64.100 65.994 -1.894 1
1 824 . 19 1 1 A 72 72 THR HA H 72 4.120 3.957 0.163 1
1 825 . 19 1 1 A 72 72 THR CB C 72 68.471 68.289 0.182 1
1 831 . 19 1 1 A 72 72 THR C C 72 175.849 176.680 -0.831 1
1 832 . 19 1 1 A 73 73 GLU N N 73 118.626 122.410 -3.784 1
1 833 . 19 1 1 A 73 73 GLU H H 73 7.767 7.691 0.076 1
1 834 . 19 1 1 A 73 73 GLU CA C 73 55.623 58.886 -3.263 1
1 835 . 19 1 1 A 73 73 GLU HA H 73 4.587 4.090 0.497 1
1 836 . 19 1 1 A 73 73 GLU CB C 73 30.542 29.095 1.447 1
1 842 . 19 1 1 A 73 73 GLU C C 73 177.257 178.604 -1.347 1
1 843 . 19 1 1 A 74 74 SER N N 74 114.932 115.054 -0.122 1
1 844 . 19 1 1 A 74 74 SER H H 74 7.442 7.902 -0.460 1
1 845 . 19 1 1 A 74 74 SER CA C 74 62.099 61.532 0.567 1
1 846 . 19 1 1 A 74 74 SER HA H 74 3.938 4.051 -0.113 1
1 847 . 19 1 1 A 74 74 SER CB C 74 63.067 62.923 0.144 1
1 850 . 19 1 1 A 74 74 SER C C 74 176.528 177.248 -0.720 1
1 851 . 19 1 1 A 75 75 GLU N N 75 120.907 121.744 -0.837 1
1 852 . 19 1 1 A 75 75 GLU H H 75 8.350 7.776 0.574 1
1 853 . 19 1 1 A 75 75 GLU CA C 75 59.706 59.150 0.556 1
1 854 . 19 1 1 A 75 75 GLU HA H 75 4.045 4.135 -0.090 1
1 855 . 19 1 1 A 75 75 GLU CB C 75 29.085 29.444 -0.359 1
1 861 . 19 1 1 A 75 75 GLU C C 75 179.320 179.212 0.108 1
1 862 . 19 1 1 A 76 76 ARG N N 76 121.343 119.387 1.956 1
1 863 . 19 1 1 A 76 76 ARG H H 76 7.948 7.909 0.039 1
1 864 . 19 1 1 A 76 76 ARG CA C 76 59.188 58.899 0.289 1
1 865 . 19 1 1 A 76 76 ARG HA H 76 4.094 4.130 -0.036 1
1 866 . 19 1 1 A 76 76 ARG CB C 76 29.726 29.774 -0.048 1
1 875 . 19 1 1 A 76 76 ARG C C 76 178.373 178.704 -0.331 1
1 876 . 19 1 1 A 77 77 LEU N N 77 120.110 119.961 0.149 1
1 877 . 19 1 1 A 77 77 LEU H H 77 8.029 8.541 -0.512 1
1 878 . 19 1 1 A 77 77 LEU CA C 77 59.809 57.928 1.881 1
1 879 . 19 1 1 A 77 77 LEU HA H 77 3.975 4.028 -0.053 1
1 880 . 19 1 1 A 77 77 LEU CB C 77 42.216 41.268 0.948 1
1 893 . 19 1 1 A 77 77 LEU C C 77 178.810 179.173 -0.363 1
1 894 . 19 1 1 A 78 78 GLN N N 78 114.090 117.537 -3.447 1
1 895 . 19 1 1 A 78 78 GLN H H 78 7.680 8.505 -0.825 1
1 896 . 19 1 1 A 78 78 GLN CA C 78 59.600 59.032 0.568 1
1 897 . 19 1 1 A 78 78 GLN HA H 78 3.915 4.066 -0.151 1
1 898 . 19 1 1 A 78 78 GLN CB C 78 30.101 28.366 1.735 1
1 907 . 19 1 1 A 78 78 GLN C C 78 178.325 178.755 -0.430 1
1 908 . 19 1 1 A 79 79 ALA N N 79 119.863 121.772 -1.909 1
1 909 . 19 1 1 A 79 79 ALA H H 79 7.900 7.949 -0.049 1
1 910 . 19 1 1 A 79 79 ALA CA C 79 54.321 54.625 -0.304 1
1 911 . 19 1 1 A 79 79 ALA HA H 79 4.255 4.254 0.001 1
1 912 . 19 1 1 A 79 79 ALA CB C 79 18.596 18.515 0.081 1
1 916 . 19 1 1 A 79 79 ALA C C 79 179.514 179.501 0.013 1
1 917 . 19 1 1 A 80 80 GLU N N 80 115.847 116.927 -1.080 1
1 918 . 19 1 1 A 80 80 GLU H H 80 7.773 8.417 -0.644 1
1 919 . 19 1 1 A 80 80 GLU CA C 80 57.312 58.571 -1.259 1
1 920 . 19 1 1 A 80 80 GLU HA H 80 4.286 4.310 -0.024 1
1 921 . 19 1 1 A 80 80 GLU CB C 80 31.095 29.868 1.227 1
1 927 . 19 1 1 A 80 80 GLU C C 80 176.965 177.895 -0.930 1
1 928 . 19 1 1 A 81 81 TRP N N 81 122.132 122.955 -0.823 1
1 929 . 19 1 1 A 81 81 TRP H H 81 7.661 7.957 -0.296 1
1 930 . 19 1 1 A 81 81 TRP CA C 81 58.641 56.301 2.340 1
1 931 . 19 1 1 A 81 81 TRP HA H 81 4.261 4.772 -0.511 1
1 932 . 19 1 1 A 81 81 TRP CB C 81 29.118 29.148 -0.030 1
1 947 . 19 1 1 A 81 81 TRP C C 81 174.611 175.583 -0.972 1
1 948 . 19 1 1 A 82 82 HIS CA C 82 54.101 55.127 -1.026 1
1 949 . 19 1 1 A 82 82 HIS HA H 82 4.727 4.802 -0.075 1
1 950 . 19 1 1 A 82 82 HIS CB C 82 30.847 33.092 -2.245 1
1 957 . 19 1 1 A 83 83 ASP CA C 83 54.997 55.222 -0.225 1
1 958 . 19 1 1 A 83 83 ASP HA H 83 4.342 4.051 0.291 1
1 959 . 19 1 1 A 83 83 ASP CB C 83 40.395 39.679 0.716 1
1 962 . 19 1 1 A 83 83 ASP C C 83 174.198 174.548 -0.350 1
1 963 . 19 1 1 A 84 84 SER N N 84 111.986 112.754 -0.768 1
1 964 . 19 1 1 A 84 84 SER H H 84 7.863 7.433 0.430 1
1 965 . 19 1 1 A 84 84 SER CA C 84 56.714 57.607 -0.893 1
1 966 . 19 1 1 A 84 84 SER HA H 84 4.584 4.901 -0.317 1
1 967 . 19 1 1 A 84 84 SER CB C 84 64.374 66.284 -1.910 1
1 970 . 19 1 1 A 84 84 SER C C 84 174.489 173.472 1.017 1
1 971 . 19 1 1 A 85 85 ASP N N 85 125.547 122.746 2.801 1
1 972 . 19 1 1 A 85 85 ASP H H 85 9.268 8.503 0.765 1
1 973 . 19 1 1 A 85 85 ASP CA C 85 55.447 56.127 -0.680 1
1 974 . 19 1 1 A 85 85 ASP HA H 85 4.704 4.627 0.077 1
1 975 . 19 1 1 A 85 85 ASP CB C 85 40.980 41.152 -0.172 1
1 978 . 19 1 1 A 85 85 ASP C C 85 177.038 176.807 0.231 1
1 979 . 19 1 1 A 86 86 TRP N N 86 121.831 120.202 1.629 1
1 980 . 19 1 1 A 86 86 TRP H H 86 9.345 8.028 1.317 1
1 981 . 19 1 1 A 86 86 TRP CA C 86 56.967 58.131 -1.164 1
1 982 . 19 1 1 A 86 86 TRP HA H 86 5.091 4.849 0.242 1
1 983 . 19 1 1 A 86 86 TRP CB C 86 29.118 29.731 -0.613 1
1 998 . 19 1 1 A 86 86 TRP C C 86 176.723 176.068 0.655 1
1 999 . 19 1 1 A 87 87 ILE N N 87 123.116 125.432 -2.316 1
1 1000 . 19 1 1 A 87 87 ILE H H 87 8.965 8.357 0.608 1
1 1001 . 19 1 1 A 87 87 ILE CA C 87 60.595 61.308 -0.713 1
1 1002 . 19 1 1 A 87 87 ILE HA H 87 4.462 4.575 -0.113 1
1 1003 . 19 1 1 A 87 87 ILE CB C 87 40.354 37.905 2.449 1
1 1016 . 19 1 1 A 87 87 ILE C C 87 175.824 175.282 0.542 1
1 1017 . 19 1 1 A 88 88 LEU N N 88 134.475 130.542 3.933 1
1 1018 . 19 1 1 A 88 88 LEU H H 88 8.736 9.063 -0.327 1
1 1019 . 19 1 1 A 88 88 LEU CA C 88 53.763 53.558 0.205 1
1 1020 . 19 1 1 A 88 88 LEU HA H 88 5.163 4.895 0.268 1
1 1021 . 19 1 1 A 88 88 LEU CB C 88 43.020 43.752 -0.732 1
1 1034 . 19 1 1 A 88 88 LEU C C 88 175.824 175.551 0.273 1
1 1035 . 19 1 1 A 89 89 SER N N 89 122.016 119.370 2.646 1
1 1036 . 19 1 1 A 89 89 SER H H 89 9.152 8.275 0.877 1
1 1037 . 19 1 1 A 89 89 SER CA C 89 57.242 56.458 0.784 1
1 1038 . 19 1 1 A 89 89 SER HA H 89 4.739 5.120 -0.381 1
1 1039 . 19 1 1 A 89 89 SER CB C 89 65.526 66.523 -0.997 1
1 1042 . 19 1 1 A 89 89 SER C C 89 171.989 172.436 -0.447 1
1 1043 . 19 1 1 A 90 90 VAL N N 90 119.844 121.182 -1.338 1
1 1044 . 19 1 1 A 90 90 VAL H H 90 8.220 8.762 -0.542 1
1 1045 . 19 1 1 A 90 90 VAL CA C 90 59.143 58.913 0.230 1
1 1046 . 19 1 1 A 90 90 VAL HA H 90 4.604 4.694 -0.090 1
1 1047 . 19 1 1 A 90 90 VAL CB C 90 33.056 33.148 -0.092 1
1 1057 . 19 1 1 A 90 90 VAL C C 90 174.198 173.878 0.320 1
1 1058 . 19 1 1 A 91 91 PRO CA C 91 63.467 62.553 0.914 1
1 1059 . 19 1 1 A 91 91 PRO HA H 91 4.329 4.585 -0.256 1
1 1060 . 19 1 1 A 91 91 PRO CB C 91 32.003 32.475 -0.472 1
1 1069 . 19 1 1 A 91 91 PRO C C 91 175.557 176.625 -1.068 1
1 1 . 20 1 1 A 6 6 SER CA C 6 58.720 58.687 0.033 1
1 2 . 20 1 1 A 6 6 SER HA H 6 4.456 4.775 -0.319 1
1 3 . 20 1 1 A 6 6 SER CB C 6 63.880 66.030 -2.150 1
1 6 . 20 1 1 A 6 6 SER C C 6 174.951 175.090 -0.139 1
1 7 . 20 1 1 A 7 7 GLY N N 7 110.558 110.085 0.473 1
1 8 . 20 1 1 A 7 7 GLY H H 7 8.377 8.239 0.138 1
1 9 . 20 1 1 A 7 7 GLY CA C 7 45.205 46.856 -1.651 1
1 10 . 20 1 1 A 7 7 GLY HA2 H 7 3.879 3.984 -0.105 1
1 11 . 20 1 1 A 7 7 GLY HA3 H 7 3.910 3.999 -0.089 1
1 12 . 20 1 1 A 7 7 GLY C C 7 173.615 175.138 -1.523 1
1 13 . 20 1 1 A 8 8 PHE N N 8 119.857 120.771 -0.914 1
1 14 . 20 1 1 A 8 8 PHE H H 8 8.062 8.265 -0.203 1
1 15 . 20 1 1 A 8 8 PHE CA C 8 57.418 59.915 -2.497 1
1 16 . 20 1 1 A 8 8 PHE HA H 8 4.624 4.400 0.224 1
1 17 . 20 1 1 A 8 8 PHE CB C 8 39.749 39.394 0.355 1
1 30 . 20 1 1 A 8 8 PHE C C 8 175.242 175.482 -0.240 1
1 31 . 20 1 1 A 9 9 GLU N N 9 124.807 120.857 3.950 1
1 32 . 20 1 1 A 9 9 GLU H H 9 8.311 7.697 0.614 1
1 33 . 20 1 1 A 9 9 GLU CA C 9 54.034 52.681 1.353 1
1 34 . 20 1 1 A 9 9 GLU HA H 9 4.546 4.552 -0.006 1
1 35 . 20 1 1 A 9 9 GLU CB C 9 29.859 30.736 -0.877 1
1 40 . 20 1 1 A 9 9 GLU C C 9 174.125 174.924 -0.799 1
1 41 . 20 1 1 A 10 10 PRO CA C 10 63.366 62.298 1.068 1
1 42 . 20 1 1 A 10 10 PRO HA H 10 4.334 4.677 -0.343 1
1 43 . 20 1 1 A 10 10 PRO CB C 10 32.033 33.041 -1.008 1
1 52 . 20 1 1 A 10 10 PRO C C 10 177.062 175.403 1.659 1
1 53 . 20 1 1 A 11 11 ARG N N 11 120.726 120.499 0.227 1
1 54 . 20 1 1 A 11 11 ARG H H 11 8.477 8.676 -0.199 1
1 55 . 20 1 1 A 11 11 ARG CA C 11 56.175 54.714 1.461 1
1 56 . 20 1 1 A 11 11 ARG HA H 11 4.318 4.988 -0.670 1
1 57 . 20 1 1 A 11 11 ARG CB C 11 30.831 32.633 -1.802 1
1 66 . 20 1 1 A 11 11 ARG C C 11 176.455 174.687 1.768 1
1 67 . 20 1 1 A 12 12 SER N N 12 116.599 121.434 -4.835 1
1 68 . 20 1 1 A 12 12 SER H H 12 8.289 8.911 -0.622 1
1 69 . 20 1 1 A 12 12 SER CA C 12 58.330 57.260 1.070 1
1 70 . 20 1 1 A 12 12 SER HA H 12 4.396 5.341 -0.945 1
1 71 . 20 1 1 A 12 12 SER CB C 12 63.633 66.460 -2.827 1
1 74 . 20 1 1 A 12 12 SER C C 12 174.465 173.861 0.604 1
1 75 . 20 1 1 A 13 13 LEU N N 13 124.186 122.517 1.669 1
1 76 . 20 1 1 A 13 13 LEU H H 13 8.275 8.767 -0.492 1
1 77 . 20 1 1 A 13 13 LEU CA C 13 55.306 54.130 1.176 1
1 78 . 20 1 1 A 13 13 LEU HA H 13 4.361 4.741 -0.380 1
1 79 . 20 1 1 A 13 13 LEU CB C 13 42.350 42.460 -0.110 1
1 92 . 20 1 1 A 13 13 LEU C C 13 177.184 176.273 0.911 1
1 93 . 20 1 1 A 14 14 ILE N N 14 121.445 117.392 4.053 1
1 94 . 20 1 1 A 14 14 ILE H H 14 8.106 7.755 0.351 1
1 95 . 20 1 1 A 14 14 ILE CA C 14 61.248 61.996 -0.748 1
1 96 . 20 1 1 A 14 14 ILE HA H 14 4.202 3.673 0.529 1
1 97 . 20 1 1 A 14 14 ILE CB C 14 38.555 36.432 2.123 1
1 110 . 20 1 1 A 14 14 ILE C C 14 176.528 174.517 2.011 1
1 111 . 20 1 1 A 15 15 THR N N 15 118.053 116.550 1.503 1
1 112 . 20 1 1 A 15 15 THR H H 15 8.226 7.830 0.396 1
1 113 . 20 1 1 A 15 15 THR CA C 15 61.573 60.796 0.777 1
1 114 . 20 1 1 A 15 15 THR HA H 15 4.401 4.656 -0.255 1
1 115 . 20 1 1 A 15 15 THR CB C 15 69.795 70.514 -0.719 1
1 121 . 20 1 1 A 15 15 THR C C 15 174.538 172.764 1.774 1
1 122 . 20 1 1 A 16 16 SER N N 16 117.877 122.372 -4.495 1
1 123 . 20 1 1 A 16 16 SER H H 16 8.272 8.750 -0.478 1
1 124 . 20 1 1 A 16 16 SER CA C 16 55.830 58.158 -2.328 1
1 125 . 20 1 1 A 16 16 SER HA H 16 4.448 4.908 -0.460 1
1 126 . 20 1 1 A 16 16 SER CB C 16 63.880 64.082 -0.202 1
1 129 . 20 1 1 A 16 16 SER C C 16 174.247 173.624 0.623 1
1 130 . 20 1 1 A 17 17 ASP N N 17 122.892 125.244 -2.352 1
1 131 . 20 1 1 A 17 17 ASP H H 17 8.425 8.560 -0.135 1
1 132 . 20 1 1 A 17 17 ASP CA C 17 54.461 53.877 0.584 1
1 133 . 20 1 1 A 17 17 ASP HA H 17 4.611 4.700 -0.089 1
1 134 . 20 1 1 A 17 17 ASP CB C 17 41.340 42.057 -0.717 1
1 137 . 20 1 1 A 17 17 ASP C C 17 176.358 176.441 -0.083 1
1 138 . 20 1 1 A 18 18 LYS N N 18 121.459 122.922 -1.463 1
1 139 . 20 1 1 A 18 18 LYS H H 18 8.349 9.029 -0.680 1
1 140 . 20 1 1 A 18 18 LYS CA C 18 56.526 56.053 0.473 1
1 141 . 20 1 1 A 18 18 LYS HA H 18 4.356 4.600 -0.244 1
1 142 . 20 1 1 A 18 18 LYS CB C 18 32.744 33.332 -0.588 1
1 152 . 20 1 1 A 18 18 LYS C C 18 177.305 176.770 0.535 1
1 153 . 20 1 1 A 19 19 GLY N N 19 109.072 106.163 2.909 1
1 154 . 20 1 1 A 19 19 GLY H H 19 8.533 8.857 -0.324 1
1 155 . 20 1 1 A 19 19 GLY CA C 19 45.451 45.287 0.164 1
1 156 . 20 1 1 A 19 19 GLY HA2 H 19 3.884 4.005 -0.121 1
1 157 . 20 1 1 A 19 19 GLY HA3 H 19 3.960 4.066 -0.106 1
1 158 . 20 1 1 A 19 19 GLY C C 19 174.028 173.846 0.182 1
1 159 . 20 1 1 A 20 20 PHE N N 20 119.395 119.595 -0.200 1
1 160 . 20 1 1 A 20 20 PHE H H 20 8.014 8.140 -0.126 1
1 161 . 20 1 1 A 20 20 PHE CA C 20 56.992 56.416 0.576 1
1 162 . 20 1 1 A 20 20 PHE HA H 20 5.166 5.183 -0.017 1
1 163 . 20 1 1 A 20 20 PHE CB C 20 43.122 43.490 -0.368 1
1 176 . 20 1 1 A 20 20 PHE C C 20 174.247 174.094 0.153 1
1 177 . 20 1 1 A 21 21 VAL N N 21 119.613 117.208 2.405 1
1 178 . 20 1 1 A 21 21 VAL H H 21 9.282 9.117 0.165 1
1 179 . 20 1 1 A 21 21 VAL CA C 21 60.286 59.942 0.344 1
1 180 . 20 1 1 A 21 21 VAL HA H 21 4.403 5.010 -0.607 1
1 181 . 20 1 1 A 21 21 VAL CB C 21 35.624 35.955 -0.331 1
1 191 . 20 1 1 A 21 21 VAL C C 21 174.077 174.038 0.039 1
1 192 . 20 1 1 A 22 22 THR N N 22 123.150 121.719 1.431 1
1 193 . 20 1 1 A 22 22 THR H H 22 8.226 8.708 -0.482 1
1 194 . 20 1 1 A 22 22 THR CA C 22 61.672 61.734 -0.062 1
1 195 . 20 1 1 A 22 22 THR HA H 22 5.214 5.034 0.180 1
1 196 . 20 1 1 A 22 22 THR CB C 22 69.636 70.708 -1.072 1
1 202 . 20 1 1 A 22 22 THR C C 22 174.319 173.825 0.494 1
1 203 . 20 1 1 A 23 23 MET N N 23 125.701 123.071 2.630 1
1 204 . 20 1 1 A 23 23 MET H H 23 9.254 9.045 0.209 1
1 205 . 20 1 1 A 23 23 MET CA C 23 54.250 54.185 0.065 1
1 206 . 20 1 1 A 23 23 MET HA H 23 4.680 5.055 -0.375 1
1 207 . 20 1 1 A 23 23 MET CB C 23 34.967 37.055 -2.088 1
1 217 . 20 1 1 A 23 23 MET C C 23 174.028 174.684 -0.656 1
1 218 . 20 1 1 A 24 24 THR N N 24 109.251 114.819 -5.568 1
1 219 . 20 1 1 A 24 24 THR H H 24 8.410 8.517 -0.107 1
1 220 . 20 1 1 A 24 24 THR CA C 24 59.952 60.841 -0.889 1
1 221 . 20 1 1 A 24 24 THR HA H 24 4.838 4.890 -0.052 1
1 222 . 20 1 1 A 24 24 THR CB C 24 71.427 72.304 -0.877 1
1 228 . 20 1 1 A 24 24 THR C C 24 172.353 173.039 -0.686 1
1 229 . 20 1 1 A 25 25 LEU N N 25 125.384 125.889 -0.505 1
1 230 . 20 1 1 A 25 25 LEU H H 25 8.901 8.692 0.209 1
1 231 . 20 1 1 A 25 25 LEU CA C 25 53.373 54.090 -0.717 1
1 232 . 20 1 1 A 25 25 LEU HA H 25 5.333 5.012 0.321 1
1 233 . 20 1 1 A 25 25 LEU CB C 25 45.607 45.092 0.515 1
1 246 . 20 1 1 A 25 25 LEU C C 25 175.606 174.597 1.009 1
1 247 . 20 1 1 A 26 26 GLU N N 26 125.482 126.902 -1.420 1
1 248 . 20 1 1 A 26 26 GLU H H 26 9.147 9.180 -0.033 1
1 249 . 20 1 1 A 26 26 GLU CA C 26 56.010 55.360 0.650 1
1 250 . 20 1 1 A 26 26 GLU HA H 26 4.922 4.776 0.146 1
1 251 . 20 1 1 A 26 26 GLU CB C 26 33.588 30.965 2.623 1
1 257 . 20 1 1 A 26 26 GLU C C 26 175.387 176.559 -1.172 1
1 258 . 20 1 1 A 27 27 SER N N 27 118.827 120.508 -1.681 1
1 259 . 20 1 1 A 27 27 SER H H 27 8.432 8.605 -0.173 1
1 260 . 20 1 1 A 27 27 SER CA C 27 55.236 56.882 -1.646 1
1 261 . 20 1 1 A 27 27 SER HA H 27 3.720 3.876 -0.156 1
1 262 . 20 1 1 A 27 27 SER CB C 27 63.703 64.588 -0.885 1
1 265 . 20 1 1 A 27 27 SER C C 27 173.980 174.598 -0.618 1
1 266 . 20 1 1 A 28 28 LEU N N 28 121.319 119.250 2.069 1
1 267 . 20 1 1 A 28 28 LEU H H 28 7.990 8.360 -0.370 1
1 268 . 20 1 1 A 28 28 LEU CA C 28 55.887 54.213 1.674 1
1 269 . 20 1 1 A 28 28 LEU HA H 28 4.071 4.561 -0.490 1
1 270 . 20 1 1 A 28 28 LEU CB C 28 42.184 43.373 -1.189 1
1 283 . 20 1 1 A 28 28 LEU C C 28 177.159 175.796 1.363 1
1 284 . 20 1 1 A 29 29 GLU N N 29 115.740 115.222 0.518 1
1 285 . 20 1 1 A 29 29 GLU H H 29 7.458 7.566 -0.108 1
1 286 . 20 1 1 A 29 29 GLU CA C 29 53.658 54.831 -1.173 1
1 287 . 20 1 1 A 29 29 GLU HA H 29 4.444 4.486 -0.042 1
1 288 . 20 1 1 A 29 29 GLU CB C 29 33.209 31.223 1.986 1
1 294 . 20 1 1 A 29 29 GLU C C 29 174.417 174.183 0.234 1
1 295 . 20 1 1 A 30 30 GLU N N 30 122.052 121.743 0.309 1
1 296 . 20 1 1 A 30 30 GLU H H 30 8.500 8.598 -0.098 1
1 297 . 20 1 1 A 30 30 GLU CA C 30 57.621 55.856 1.765 1
1 298 . 20 1 1 A 30 30 GLU HA H 30 4.297 4.347 -0.050 1
1 299 . 20 1 1 A 30 30 GLU CB C 30 30.403 30.620 -0.217 1
1 305 . 20 1 1 A 30 30 GLU C C 30 177.087 175.978 1.109 1
1 306 . 20 1 1 A 31 31 ILE N N 31 120.377 120.580 -0.203 1
1 307 . 20 1 1 A 31 31 ILE H H 31 8.828 8.460 0.368 1
1 308 . 20 1 1 A 31 31 ILE CA C 31 59.741 58.457 1.284 1
1 309 . 20 1 1 A 31 31 ILE HA H 31 4.680 4.739 -0.059 1
1 310 . 20 1 1 A 31 31 ILE CB C 31 40.845 41.276 -0.431 1
1 323 . 20 1 1 A 31 31 ILE C C 31 175.776 176.154 -0.378 1
1 324 . 20 1 1 A 32 32 GLN N N 32 119.444 121.732 -2.288 1
1 325 . 20 1 1 A 32 32 GLN H H 32 8.668 8.495 0.173 1
1 326 . 20 1 1 A 32 32 GLN CA C 32 57.277 57.993 -0.716 1
1 327 . 20 1 1 A 32 32 GLN HA H 32 4.302 4.267 0.035 1
1 328 . 20 1 1 A 32 32 GLN CB C 32 30.079 29.507 0.572 1
1 337 . 20 1 1 A 32 32 GLN C C 32 175.824 174.790 1.034 1
1 338 . 20 1 1 A 33 33 ASP N N 33 113.908 117.481 -3.573 1
1 339 . 20 1 1 A 33 33 ASP H H 33 7.684 7.848 -0.164 1
1 340 . 20 1 1 A 33 33 ASP CA C 33 53.441 53.045 0.396 1
1 341 . 20 1 1 A 33 33 ASP HA H 33 4.754 4.829 -0.075 1
1 342 . 20 1 1 A 33 33 ASP CB C 33 43.727 43.581 0.146 1
1 345 . 20 1 1 A 33 33 ASP C C 33 175.824 175.731 0.093 1
1 346 . 20 1 1 A 34 34 VAL N N 34 114.196 122.092 -7.896 1
1 347 . 20 1 1 A 34 34 VAL H H 34 8.640 8.783 -0.143 1
1 348 . 20 1 1 A 34 34 VAL CA C 34 64.836 64.808 0.028 1
1 349 . 20 1 1 A 34 34 VAL HA H 34 3.910 3.941 -0.031 1
1 350 . 20 1 1 A 34 34 VAL CB C 34 31.539 31.610 -0.071 1
1 360 . 20 1 1 A 34 34 VAL C C 34 177.669 177.918 -0.249 1
1 361 . 20 1 1 A 35 35 SER N N 35 120.001 117.023 2.978 1
1 362 . 20 1 1 A 35 35 SER H H 35 9.274 8.533 0.741 1
1 363 . 20 1 1 A 35 35 SER CA C 35 62.276 61.586 0.690 1
1 364 . 20 1 1 A 35 35 SER HA H 35 4.448 4.456 -0.008 1
1 365 . 20 1 1 A 35 35 SER CB C 35 62.255 62.535 -0.280 1
1 368 . 20 1 1 A 35 35 SER C C 35 177.305 177.440 -0.135 1
1 369 . 20 1 1 A 36 36 CYS N N 36 120.840 119.607 1.233 1
1 370 . 20 1 1 A 36 36 CYS H H 36 7.894 8.002 -0.108 1
1 371 . 20 1 1 A 36 36 CYS CA C 36 62.416 62.851 -0.435 1
1 372 . 20 1 1 A 36 36 CYS HA H 36 4.310 4.261 0.049 1
1 373 . 20 1 1 A 36 36 CYS CB C 36 28.189 26.774 1.415 1
1 376 . 20 1 1 A 36 36 CYS C C 36 177.257 177.200 0.057 1
1 377 . 20 1 1 A 37 37 ALA N N 37 122.247 121.604 0.643 1
1 378 . 20 1 1 A 37 37 ALA H H 37 7.343 8.059 -0.716 1
1 379 . 20 1 1 A 37 37 ALA CA C 37 54.145 55.309 -1.164 1
1 380 . 20 1 1 A 37 37 ALA HA H 37 3.546 3.723 -0.177 1
1 381 . 20 1 1 A 37 37 ALA CB C 37 20.009 18.196 1.813 1
1 385 . 20 1 1 A 37 37 ALA C C 37 178.883 179.953 -1.070 1
1 386 . 20 1 1 A 38 38 TRP N N 38 117.352 118.318 -0.966 1
1 387 . 20 1 1 A 38 38 TRP H H 38 7.937 8.435 -0.498 1
1 388 . 20 1 1 A 38 38 TRP CA C 38 60.600 60.175 0.425 1
1 389 . 20 1 1 A 38 38 TRP HA H 38 4.276 4.425 -0.149 1
1 390 . 20 1 1 A 38 38 TRP CB C 38 29.693 29.177 0.516 1
1 405 . 20 1 1 A 38 38 TRP C C 38 178.664 178.589 0.075 1
1 406 . 20 1 1 A 39 39 LYS N N 39 117.638 120.962 -3.324 1
1 407 . 20 1 1 A 39 39 LYS H H 39 8.102 7.629 0.473 1
1 408 . 20 1 1 A 39 39 LYS CA C 39 60.009 58.719 1.290 1
1 409 . 20 1 1 A 39 39 LYS HA H 39 4.031 4.323 -0.292 1
1 410 . 20 1 1 A 39 39 LYS CB C 39 32.471 33.038 -0.567 1
1 421 . 20 1 1 A 39 39 LYS C C 39 178.713 178.866 -0.153 1
1 422 . 20 1 1 A 40 40 GLU N N 40 120.486 120.076 0.410 1
1 423 . 20 1 1 A 40 40 GLU H H 40 6.821 8.129 -1.308 1
1 424 . 20 1 1 A 40 40 GLU CA C 40 58.486 59.006 -0.520 1
1 425 . 20 1 1 A 40 40 GLU HA H 40 4.350 4.031 0.319 1
1 426 . 20 1 1 A 40 40 GLU CB C 40 28.459 29.247 -0.788 1
1 432 . 20 1 1 A 40 40 GLU C C 40 178.543 179.277 -0.734 1
1 433 . 20 1 1 A 41 41 LEU N N 41 119.356 120.345 -0.989 1
1 434 . 20 1 1 A 41 41 LEU H H 41 8.291 8.558 -0.267 1
1 435 . 20 1 1 A 41 41 LEU CA C 41 59.002 57.877 1.125 1
1 436 . 20 1 1 A 41 41 LEU HA H 41 3.947 4.213 -0.266 1
1 437 . 20 1 1 A 41 41 LEU CB C 41 41.914 41.526 0.388 1
1 450 . 20 1 1 A 41 41 LEU C C 41 178.106 179.762 -1.656 1
1 451 . 20 1 1 A 42 42 ASN N N 42 113.310 117.021 -3.711 1
1 452 . 20 1 1 A 42 42 ASN H H 42 8.350 8.602 -0.252 1
1 453 . 20 1 1 A 42 42 ASN CA C 42 55.623 56.623 -1.000 1
1 454 . 20 1 1 A 42 42 ASN HA H 42 4.420 4.532 -0.112 1
1 455 . 20 1 1 A 42 42 ASN CB C 42 39.318 38.099 1.219 1
1 461 . 20 1 1 A 42 42 ASN C C 42 176.820 178.381 -1.561 1
1 462 . 20 1 1 A 43 43 ARG N N 43 117.734 119.481 -1.747 1
1 463 . 20 1 1 A 43 43 ARG H H 43 7.578 7.613 -0.035 1
1 464 . 20 1 1 A 43 43 ARG CA C 43 58.301 58.877 -0.576 1
1 465 . 20 1 1 A 43 43 ARG HA H 43 4.227 4.105 0.122 1
1 466 . 20 1 1 A 43 43 ARG CB C 43 31.361 29.868 1.493 1
1 475 . 20 1 1 A 43 43 ARG C C 43 178.106 177.483 0.623 1
1 476 . 20 1 1 A 44 44 LYS N N 44 115.502 115.894 -0.392 1
1 477 . 20 1 1 A 44 44 LYS H H 44 7.365 7.303 0.062 1
1 478 . 20 1 1 A 44 44 LYS CA C 44 55.367 56.264 -0.897 1
1 479 . 20 1 1 A 44 44 LYS HA H 44 4.280 4.306 -0.026 1
1 480 . 20 1 1 A 44 44 LYS CB C 44 34.289 33.853 0.436 1
1 491 . 20 1 1 A 44 44 LYS C C 44 176.504 176.223 0.281 1
1 492 . 20 1 1 A 45 45 LEU N N 45 118.486 119.652 -1.166 1
1 493 . 20 1 1 A 45 45 LEU H H 45 7.977 7.745 0.232 1
1 494 . 20 1 1 A 45 45 LEU CA C 45 53.335 54.230 -0.895 1
1 495 . 20 1 1 A 45 45 LEU HA H 45 4.882 4.383 0.499 1
1 496 . 20 1 1 A 45 45 LEU CB C 45 45.307 43.544 1.763 1
1 509 . 20 1 1 A 45 45 LEU C C 45 176.771 176.942 -0.171 1
1 510 . 20 1 1 A 46 46 SER N N 46 116.809 118.804 -1.995 1
1 511 . 20 1 1 A 46 46 SER H H 46 9.074 8.724 0.350 1
1 512 . 20 1 1 A 46 46 SER CA C 46 57.981 58.216 -0.235 1
1 513 . 20 1 1 A 46 46 SER HA H 46 4.407 4.471 -0.064 1
1 514 . 20 1 1 A 46 46 SER CB C 46 64.496 64.291 0.205 1
1 517 . 20 1 1 A 46 46 SER C C 46 175.387 175.886 -0.499 1
1 518 . 20 1 1 A 47 47 SER N N 47 117.511 119.227 -1.716 1
1 519 . 20 1 1 A 47 47 SER H H 47 8.955 9.041 -0.086 1
1 520 . 20 1 1 A 47 47 SER CA C 47 61.523 61.883 -0.360 1
1 521 . 20 1 1 A 47 47 SER HA H 47 4.197 4.105 0.092 1
1 522 . 20 1 1 A 47 47 SER CB C 47 62.412 62.321 0.091 1
1 525 . 20 1 1 A 48 48 ASN H H 48 8.475 8.095 0.380 1
1 526 . 20 1 1 A 48 48 ASN CA C 48 56.327 56.105 0.222 1
1 527 . 20 1 1 A 48 48 ASN HA H 48 4.421 4.445 -0.024 1
1 528 . 20 1 1 A 48 48 ASN CB C 48 38.635 38.916 -0.281 1
1 534 . 20 1 1 A 48 48 ASN C C 48 177.232 177.242 -0.010 1
1 535 . 20 1 1 A 49 49 ALA N N 49 123.504 121.497 2.007 1
1 536 . 20 1 1 A 49 49 ALA H H 49 7.837 8.090 -0.253 1
1 537 . 20 1 1 A 49 49 ALA CA C 49 55.271 55.273 -0.002 1
1 538 . 20 1 1 A 49 49 ALA HA H 49 4.171 4.053 0.118 1
1 539 . 20 1 1 A 49 49 ALA CB C 49 19.301 18.353 0.948 1
1 543 . 20 1 1 A 49 49 ALA C C 49 179.830 179.768 0.062 1
1 544 . 20 1 1 A 50 50 VAL N N 50 115.694 116.420 -0.726 1
1 545 . 20 1 1 A 50 50 VAL H H 50 8.069 8.398 -0.329 1
1 546 . 20 1 1 A 50 50 VAL CA C 50 65.728 64.611 1.117 1
1 547 . 20 1 1 A 50 50 VAL HA H 50 3.645 3.776 -0.131 1
1 548 . 20 1 1 A 50 50 VAL CB C 50 31.836 31.498 0.338 1
1 558 . 20 1 1 A 50 50 VAL C C 50 178.567 177.294 1.273 1
1 559 . 20 1 1 A 51 51 SER N N 51 114.048 117.821 -3.773 1
1 560 . 20 1 1 A 51 51 SER H H 51 7.849 8.144 -0.295 1
1 561 . 20 1 1 A 51 51 SER CA C 51 60.756 61.065 -0.309 1
1 562 . 20 1 1 A 51 51 SER HA H 51 4.334 4.304 0.030 1
1 563 . 20 1 1 A 51 51 SER CB C 51 63.383 63.185 0.198 1
1 565 . 20 1 1 A 51 51 SER C C 51 174.635 176.262 -1.627 1
1 566 . 20 1 1 A 52 52 GLN N N 52 118.482 118.157 0.325 1
1 567 . 20 1 1 A 52 52 GLN H H 52 7.564 7.752 -0.188 1
1 568 . 20 1 1 A 52 52 GLN CA C 52 55.306 57.201 -1.895 1
1 569 . 20 1 1 A 52 52 GLN HA H 52 4.389 4.307 0.082 1
1 570 . 20 1 1 A 52 52 GLN CB C 52 29.217 29.217 0.000 1
1 579 . 20 1 1 A 52 52 GLN C C 52 175.315 176.849 -1.534 1
1 580 . 20 1 1 A 53 53 ILE N N 53 119.847 121.650 -1.803 1
1 581 . 20 1 1 A 53 53 ILE H H 53 7.281 6.979 0.302 1
1 582 . 20 1 1 A 53 53 ILE CA C 53 62.903 62.279 0.624 1
1 583 . 20 1 1 A 53 53 ILE HA H 53 4.417 3.790 0.627 1
1 584 . 20 1 1 A 53 53 ILE CB C 53 38.124 37.999 0.125 1
1 597 . 20 1 1 A 53 53 ILE C C 53 176.383 176.127 0.256 1
1 598 . 20 1 1 A 54 54 THR N N 54 120.582 118.380 2.202 1
1 599 . 20 1 1 A 54 54 THR H H 54 9.046 8.599 0.447 1
1 600 . 20 1 1 A 54 54 THR CA C 54 59.846 60.280 -0.434 1
1 601 . 20 1 1 A 54 54 THR HA H 54 4.834 4.712 0.122 1
1 602 . 20 1 1 A 54 54 THR CB C 54 71.904 71.084 0.820 1
1 608 . 20 1 1 A 54 54 THR C C 54 172.135 172.803 -0.668 1
1 609 . 20 1 1 A 55 55 ARG N N 55 118.375 123.429 -5.054 1
1 610 . 20 1 1 A 55 55 ARG H H 55 8.511 8.774 -0.263 1
1 611 . 20 1 1 A 55 55 ARG CA C 55 57.312 56.833 0.479 1
1 612 . 20 1 1 A 55 55 ARG HA H 55 3.782 3.813 -0.031 1
1 613 . 20 1 1 A 55 55 ARG CB C 55 28.704 27.912 0.792 1
1 622 . 20 1 1 A 55 55 ARG C C 55 174.684 174.856 -0.172 1
1 623 . 20 1 1 A 56 56 MET N N 56 118.525 117.744 0.781 1
1 624 . 20 1 1 A 56 56 MET H H 56 8.279 7.957 0.322 1
1 625 . 20 1 1 A 56 56 MET CA C 56 55.799 56.084 -0.285 1
1 626 . 20 1 1 A 56 56 MET HA H 56 5.188 4.790 0.398 1
1 627 . 20 1 1 A 56 56 MET CB C 56 33.062 33.322 -0.260 1
1 637 . 20 1 1 A 56 56 MET C C 56 177.572 174.979 2.593 1
1 638 . 20 1 1 A 57 57 CYS N N 57 126.541 124.295 2.246 1
1 639 . 20 1 1 A 57 57 CYS H H 57 9.340 8.851 0.489 1
1 640 . 20 1 1 A 57 57 CYS CA C 57 57.171 57.539 -0.368 1
1 641 . 20 1 1 A 57 57 CYS HA H 57 4.794 5.197 -0.403 1
1 642 . 20 1 1 A 57 57 CYS CB C 57 31.161 33.060 -1.899 1
1 645 . 20 1 1 A 57 57 CYS C C 57 173.057 173.659 -0.602 1
1 646 . 20 1 1 A 58 58 LEU N N 58 123.786 123.182 0.604 1
1 647 . 20 1 1 A 58 58 LEU H H 58 8.682 8.462 0.220 1
1 648 . 20 1 1 A 58 58 LEU CA C 58 55.975 54.657 1.318 1
1 649 . 20 1 1 A 58 58 LEU HA H 58 4.520 4.454 0.066 1
1 650 . 20 1 1 A 58 58 LEU CB C 58 43.097 42.284 0.813 1
1 663 . 20 1 1 A 58 58 LEU C C 58 177.960 177.470 0.490 1
1 664 . 20 1 1 A 59 59 LEU N N 59 124.007 123.098 0.909 1
1 665 . 20 1 1 A 59 59 LEU H H 59 8.269 8.425 -0.156 1
1 666 . 20 1 1 A 59 59 LEU CA C 59 54.156 54.002 0.154 1
1 667 . 20 1 1 A 59 59 LEU HA H 59 4.261 4.561 -0.300 1
1 668 . 20 1 1 A 59 59 LEU CB C 59 42.986 42.286 0.700 1
1 681 . 20 1 1 A 59 59 LEU C C 59 177.645 176.292 1.353 1
1 682 . 20 1 1 A 60 60 LYS N N 60 122.593 122.915 -0.322 1
1 683 . 20 1 1 A 60 60 LYS H H 60 8.458 8.618 -0.160 1
1 684 . 20 1 1 A 60 60 LYS CA C 60 58.263 57.821 0.442 1
1 685 . 20 1 1 A 60 60 LYS HA H 60 4.101 3.992 0.109 1
1 686 . 20 1 1 A 60 60 LYS CB C 60 31.732 32.056 -0.324 1
1 696 . 20 1 1 A 60 60 LYS C C 60 178.422 177.240 1.182 1
1 697 . 20 1 1 A 61 61 GLY H H 61 9.070 8.586 0.484 1
1 698 . 20 1 1 A 61 61 GLY CA C 61 45.355 45.248 0.107 1
1 699 . 20 1 1 A 61 61 GLY HA2 H 61 3.641 3.981 -0.340 1
1 700 . 20 1 1 A 61 61 GLY HA3 H 61 4.223 3.986 0.237 1
1 701 . 20 1 1 A 61 61 GLY C C 61 173.907 174.959 -1.052 1
1 702 . 20 1 1 A 62 62 ASN N N 62 112.617 115.414 -2.797 1
1 703 . 20 1 1 A 62 62 ASN H H 62 8.639 8.443 0.196 1
1 704 . 20 1 1 A 62 62 ASN CA C 62 55.115 54.693 0.422 1
1 705 . 20 1 1 A 62 62 ASN HA H 62 4.208 4.475 -0.267 1
1 706 . 20 1 1 A 62 62 ASN CB C 62 36.133 37.100 -0.967 1
1 712 . 20 1 1 A 62 62 ASN C C 62 173.810 174.999 -1.189 1
1 713 . 20 1 1 A 63 63 MET N N 63 114.254 116.242 -1.988 1
1 714 . 20 1 1 A 63 63 MET H H 63 7.967 8.180 -0.213 1
1 715 . 20 1 1 A 63 63 MET CA C 63 53.229 55.020 -1.791 1
1 716 . 20 1 1 A 63 63 MET HA H 63 4.908 4.600 0.308 1
1 717 . 20 1 1 A 63 63 MET CB C 63 29.363 32.056 -2.693 1
1 727 . 20 1 1 A 63 63 MET C C 63 175.436 175.327 0.109 1
1 728 . 20 1 1 A 64 64 GLY N N 64 102.826 108.242 -5.416 1
1 729 . 20 1 1 A 64 64 GLY H H 64 7.039 7.478 -0.439 1
1 730 . 20 1 1 A 64 64 GLY CA C 64 45.381 44.244 1.137 1
1 731 . 20 1 1 A 64 64 GLY HA2 H 64 4.902 4.036 0.866 1
1 732 . 20 1 1 A 64 64 GLY HA3 H 64 4.026 4.112 -0.086 1
1 733 . 20 1 1 A 64 64 GLY C C 64 171.868 172.022 -0.154 1
1 734 . 20 1 1 A 65 65 VAL N N 65 110.602 114.981 -4.379 1
1 735 . 20 1 1 A 65 65 VAL H H 65 8.994 8.486 0.508 1
1 736 . 20 1 1 A 65 65 VAL CA C 65 58.892 59.080 -0.188 1
1 737 . 20 1 1 A 65 65 VAL HA H 65 5.511 5.133 0.378 1
1 738 . 20 1 1 A 65 65 VAL CB C 65 36.392 35.791 0.601 1
1 748 . 20 1 1 A 65 65 VAL C C 65 174.319 174.218 0.101 1
1 749 . 20 1 1 A 66 66 CYS N N 66 115.721 121.214 -5.493 1
1 750 . 20 1 1 A 66 66 CYS H H 66 9.175 9.196 -0.021 1
1 751 . 20 1 1 A 66 66 CYS CA C 66 54.912 56.284 -1.372 1
1 752 . 20 1 1 A 66 66 CYS HA H 66 5.590 5.313 0.277 1
1 753 . 20 1 1 A 66 66 CYS CB C 66 31.672 31.583 0.089 1
1 756 . 20 1 1 A 66 66 CYS C C 66 171.941 173.132 -1.191 1
1 757 . 20 1 1 A 67 67 PHE N N 67 114.941 117.766 -2.825 1
1 758 . 20 1 1 A 67 67 PHE H H 67 8.220 8.359 -0.139 1
1 759 . 20 1 1 A 67 67 PHE CA C 67 56.468 56.196 0.272 1
1 760 . 20 1 1 A 67 67 PHE HA H 67 4.879 5.151 -0.272 1
1 761 . 20 1 1 A 67 67 PHE CB C 67 39.366 40.776 -1.410 1
1 774 . 20 1 1 A 67 67 PHE C C 67 171.552 172.048 -0.496 1
1 775 . 20 1 1 A 68 68 ASP N N 68 119.507 119.452 0.055 1
1 776 . 20 1 1 A 68 68 ASP H H 68 9.072 9.016 0.056 1
1 777 . 20 1 1 A 68 68 ASP CA C 68 52.737 53.138 -0.401 1
1 778 . 20 1 1 A 68 68 ASP HA H 68 5.901 5.623 0.278 1
1 779 . 20 1 1 A 68 68 ASP CB C 68 42.545 44.408 -1.863 1
1 782 . 20 1 1 A 68 68 ASP C C 68 176.116 175.008 1.108 1
1 783 . 20 1 1 A 69 69 VAL N N 69 114.937 116.871 -1.934 1
1 784 . 20 1 1 A 69 69 VAL H H 69 8.819 8.922 -0.103 1
1 785 . 20 1 1 A 69 69 VAL CA C 69 58.051 57.910 0.141 1
1 786 . 20 1 1 A 69 69 VAL HA H 69 5.205 4.475 0.730 1
1 787 . 20 1 1 A 69 69 VAL CB C 69 35.698 35.113 0.585 1
1 797 . 20 1 1 A 69 69 VAL C C 69 173.154 172.622 0.532 1
1 798 . 20 1 1 A 70 70 PRO CA C 70 62.946 62.266 0.680 1
1 799 . 20 1 1 A 70 70 PRO HA H 70 4.479 4.376 0.103 1
1 800 . 20 1 1 A 70 70 PRO CB C 70 32.255 32.588 -0.333 1
1 809 . 20 1 1 A 70 70 PRO C C 70 178.737 177.594 1.143 1
1 810 . 20 1 1 A 71 71 THR N N 71 119.743 117.612 2.131 1
1 811 . 20 1 1 A 71 71 THR H H 71 8.401 8.747 -0.346 1
1 812 . 20 1 1 A 71 71 THR CA C 71 66.415 65.376 1.039 1
1 813 . 20 1 1 A 71 71 THR HA H 71 3.761 3.916 -0.155 1
1 814 . 20 1 1 A 71 71 THR CB C 71 68.476 68.393 0.083 1
1 820 . 20 1 1 A 71 71 THR C C 71 176.965 176.040 0.925 1
1 821 . 20 1 1 A 72 72 THR N N 72 109.724 116.604 -6.880 1
1 822 . 20 1 1 A 72 72 THR H H 72 7.747 8.120 -0.373 1
1 823 . 20 1 1 A 72 72 THR CA C 72 64.100 67.432 -3.332 1
1 824 . 20 1 1 A 72 72 THR HA H 72 4.120 4.047 0.073 1
1 825 . 20 1 1 A 72 72 THR CB C 72 68.471 68.648 -0.177 1
1 831 . 20 1 1 A 72 72 THR C C 72 175.849 176.088 -0.239 1
1 832 . 20 1 1 A 73 73 GLU N N 73 118.626 121.309 -2.683 1
1 833 . 20 1 1 A 73 73 GLU H H 73 7.767 7.757 0.010 1
1 834 . 20 1 1 A 73 73 GLU CA C 73 55.623 58.721 -3.098 1
1 835 . 20 1 1 A 73 73 GLU HA H 73 4.587 4.123 0.464 1
1 836 . 20 1 1 A 73 73 GLU CB C 73 30.542 29.435 1.107 1
1 842 . 20 1 1 A 73 73 GLU C C 73 177.257 178.543 -1.286 1
1 843 . 20 1 1 A 74 74 SER N N 74 114.932 114.859 0.073 1
1 844 . 20 1 1 A 74 74 SER H H 74 7.442 7.947 -0.505 1
1 845 . 20 1 1 A 74 74 SER CA C 74 62.099 61.505 0.594 1
1 846 . 20 1 1 A 74 74 SER HA H 74 3.938 4.023 -0.085 1
1 847 . 20 1 1 A 74 74 SER CB C 74 63.067 62.936 0.131 1
1 850 . 20 1 1 A 74 74 SER C C 74 176.528 177.103 -0.575 1
1 851 . 20 1 1 A 75 75 GLU N N 75 120.907 121.616 -0.709 1
1 852 . 20 1 1 A 75 75 GLU H H 75 8.350 7.615 0.735 1
1 853 . 20 1 1 A 75 75 GLU CA C 75 59.706 59.160 0.546 1
1 854 . 20 1 1 A 75 75 GLU HA H 75 4.045 4.163 -0.118 1
1 855 . 20 1 1 A 75 75 GLU CB C 75 29.085 29.081 0.004 1
1 861 . 20 1 1 A 75 75 GLU C C 75 179.320 179.335 -0.015 1
1 862 . 20 1 1 A 76 76 ARG N N 76 121.343 119.873 1.470 1
1 863 . 20 1 1 A 76 76 ARG H H 76 7.948 7.613 0.335 1
1 864 . 20 1 1 A 76 76 ARG CA C 76 59.188 58.823 0.365 1
1 865 . 20 1 1 A 76 76 ARG HA H 76 4.094 4.164 -0.070 1
1 866 . 20 1 1 A 76 76 ARG CB C 76 29.726 29.752 -0.026 1
1 875 . 20 1 1 A 76 76 ARG C C 76 178.373 178.622 -0.249 1
1 876 . 20 1 1 A 77 77 LEU N N 77 120.110 120.194 -0.084 1
1 877 . 20 1 1 A 77 77 LEU H H 77 8.029 8.597 -0.568 1
1 878 . 20 1 1 A 77 77 LEU CA C 77 59.809 58.109 1.700 1
1 879 . 20 1 1 A 77 77 LEU HA H 77 3.975 3.988 -0.013 1
1 880 . 20 1 1 A 77 77 LEU CB C 77 42.216 41.564 0.652 1
1 893 . 20 1 1 A 77 77 LEU C C 77 178.810 179.581 -0.771 1
1 894 . 20 1 1 A 78 78 GLN N N 78 114.090 117.421 -3.331 1
1 895 . 20 1 1 A 78 78 GLN H H 78 7.680 7.579 0.101 1
1 896 . 20 1 1 A 78 78 GLN CA C 78 59.600 58.725 0.875 1
1 897 . 20 1 1 A 78 78 GLN HA H 78 3.915 4.137 -0.222 1
1 898 . 20 1 1 A 78 78 GLN CB C 78 30.101 28.337 1.764 1
1 907 . 20 1 1 A 78 78 GLN C C 78 178.325 177.785 0.540 1
1 908 . 20 1 1 A 79 79 ALA N N 79 119.863 122.791 -2.928 1
1 909 . 20 1 1 A 79 79 ALA H H 79 7.900 8.033 -0.133 1
1 910 . 20 1 1 A 79 79 ALA CA C 79 54.321 54.542 -0.221 1
1 911 . 20 1 1 A 79 79 ALA HA H 79 4.255 4.394 -0.139 1
1 912 . 20 1 1 A 79 79 ALA CB C 79 18.596 18.995 -0.399 1
1 916 . 20 1 1 A 79 79 ALA C C 79 179.514 179.623 -0.109 1
1 917 . 20 1 1 A 80 80 GLU N N 80 115.847 116.672 -0.825 1
1 918 . 20 1 1 A 80 80 GLU H H 80 7.773 8.182 -0.409 1
1 919 . 20 1 1 A 80 80 GLU CA C 80 57.312 58.935 -1.623 1
1 920 . 20 1 1 A 80 80 GLU HA H 80 4.286 4.179 0.107 1
1 921 . 20 1 1 A 80 80 GLU CB C 80 31.095 29.413 1.682 1
1 927 . 20 1 1 A 80 80 GLU C C 80 176.965 177.393 -0.428 1
1 928 . 20 1 1 A 81 81 TRP N N 81 122.132 122.821 -0.689 1
1 929 . 20 1 1 A 81 81 TRP H H 81 7.661 7.779 -0.118 1
1 930 . 20 1 1 A 81 81 TRP CA C 81 58.641 59.254 -0.613 1
1 931 . 20 1 1 A 81 81 TRP HA H 81 4.261 4.588 -0.327 1
1 932 . 20 1 1 A 81 81 TRP CB C 81 29.118 30.356 -1.238 1
1 947 . 20 1 1 A 81 81 TRP C C 81 174.611 175.982 -1.371 1
1 948 . 20 1 1 A 82 82 HIS CA C 82 54.101 54.234 -0.133 1
1 949 . 20 1 1 A 82 82 HIS HA H 82 4.727 4.981 -0.254 1
1 950 . 20 1 1 A 82 82 HIS CB C 82 30.847 33.689 -2.842 1
1 957 . 20 1 1 A 83 83 ASP CA C 83 54.997 55.012 -0.015 1
1 958 . 20 1 1 A 83 83 ASP HA H 83 4.342 4.435 -0.093 1
1 959 . 20 1 1 A 83 83 ASP CB C 83 40.395 40.518 -0.123 1
1 962 . 20 1 1 A 83 83 ASP C C 83 174.198 174.671 -0.473 1
1 963 . 20 1 1 A 84 84 SER N N 84 111.986 120.408 -8.422 1
1 964 . 20 1 1 A 84 84 SER H H 84 7.863 8.609 -0.746 1
1 965 . 20 1 1 A 84 84 SER CA C 84 56.714 56.406 0.308 1
1 966 . 20 1 1 A 84 84 SER HA H 84 4.584 5.071 -0.487 1
1 967 . 20 1 1 A 84 84 SER CB C 84 64.374 65.172 -0.798 1
1 970 . 20 1 1 A 84 84 SER C C 84 174.489 173.813 0.676 1
1 971 . 20 1 1 A 85 85 ASP N N 85 125.547 123.716 1.831 1
1 972 . 20 1 1 A 85 85 ASP H H 85 9.268 9.073 0.195 1
1 973 . 20 1 1 A 85 85 ASP CA C 85 55.447 56.036 -0.589 1
1 974 . 20 1 1 A 85 85 ASP HA H 85 4.704 4.595 0.109 1
1 975 . 20 1 1 A 85 85 ASP CB C 85 40.980 40.599 0.381 1
1 978 . 20 1 1 A 85 85 ASP C C 85 177.038 176.718 0.320 1
1 979 . 20 1 1 A 86 86 TRP N N 86 121.831 120.209 1.622 1
1 980 . 20 1 1 A 86 86 TRP H H 86 9.345 8.099 1.246 1
1 981 . 20 1 1 A 86 86 TRP CA C 86 56.967 58.021 -1.054 1
1 982 . 20 1 1 A 86 86 TRP HA H 86 5.091 4.925 0.166 1
1 983 . 20 1 1 A 86 86 TRP CB C 86 29.118 30.611 -1.493 1
1 998 . 20 1 1 A 86 86 TRP C C 86 176.723 177.292 -0.569 1
1 999 . 20 1 1 A 87 87 ILE N N 87 123.116 121.682 1.434 1
1 1000 . 20 1 1 A 87 87 ILE H H 87 8.965 9.256 -0.291 1
1 1001 . 20 1 1 A 87 87 ILE CA C 87 60.595 59.967 0.628 1
1 1002 . 20 1 1 A 87 87 ILE HA H 87 4.462 5.067 -0.605 1
1 1003 . 20 1 1 A 87 87 ILE CB C 87 40.354 41.079 -0.725 1
1 1016 . 20 1 1 A 87 87 ILE C C 87 175.824 173.969 1.855 1
1 1017 . 20 1 1 A 88 88 LEU N N 88 134.475 130.844 3.631 1
1 1018 . 20 1 1 A 88 88 LEU H H 88 8.736 9.179 -0.443 1
1 1019 . 20 1 1 A 88 88 LEU CA C 88 53.763 53.400 0.363 1
1 1020 . 20 1 1 A 88 88 LEU HA H 88 5.163 4.904 0.259 1
1 1021 . 20 1 1 A 88 88 LEU CB C 88 43.020 44.077 -1.057 1
1 1034 . 20 1 1 A 88 88 LEU C C 88 175.824 174.728 1.096 1
1 1035 . 20 1 1 A 89 89 SER N N 89 122.016 124.167 -2.151 1
1 1036 . 20 1 1 A 89 89 SER H H 89 9.152 8.891 0.261 1
1 1037 . 20 1 1 A 89 89 SER CA C 89 57.242 57.099 0.143 1
1 1038 . 20 1 1 A 89 89 SER HA H 89 4.739 5.317 -0.578 1
1 1039 . 20 1 1 A 89 89 SER CB C 89 65.526 66.086 -0.560 1
1 1042 . 20 1 1 A 89 89 SER C C 89 171.989 172.498 -0.509 1
1 1043 . 20 1 1 A 90 90 VAL N N 90 119.844 121.794 -1.950 1
1 1044 . 20 1 1 A 90 90 VAL H H 90 8.220 8.837 -0.617 1
1 1045 . 20 1 1 A 90 90 VAL CA C 90 59.143 59.098 0.045 1
1 1046 . 20 1 1 A 90 90 VAL HA H 90 4.604 4.601 0.003 1
1 1047 . 20 1 1 A 90 90 VAL CB C 90 33.056 33.066 -0.010 1
1 1057 . 20 1 1 A 90 90 VAL C C 90 174.198 174.500 -0.302 1
1 1058 . 20 1 1 A 91 91 PRO CA C 91 63.467 62.614 0.853 1
1 1059 . 20 1 1 A 91 91 PRO HA H 91 4.329 4.577 -0.248 1
1 1060 . 20 1 1 A 91 91 PRO CB C 91 32.003 32.714 -0.711 1
1 1069 . 20 1 1 A 91 91 PRO C C 91 175.557 176.677 -1.120 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 84 0.856 1
2 1 1 1 "RMS(OBS, PRED)" CA 86 1.127 1
3 1 1 1 "RMS(OBS, PRED)" CB 82 0.982 1
4 1 1 1 "RMS(OBS, PRED)" H 80 0.440 1
5 1 1 1 "RMS(OBS, PRED)" HA 90 0.246 1
6 1 1 1 "RMS(OBS, PRED)" N 78 2.806 1
7 1 2 1 "RMS(OBS, PRED)" C 84 0.867 1
8 1 2 1 "RMS(OBS, PRED)" CA 86 1.157 1
9 1 2 1 "RMS(OBS, PRED)" CB 82 1.150 1
10 1 2 1 "RMS(OBS, PRED)" H 80 0.450 1
11 1 2 1 "RMS(OBS, PRED)" HA 90 0.309 1
12 1 2 1 "RMS(OBS, PRED)" N 78 2.593 1
13 1 3 1 "RMS(OBS, PRED)" C 84 1.012 1
14 1 3 1 "RMS(OBS, PRED)" CA 86 1.041 1
15 1 3 1 "RMS(OBS, PRED)" CB 82 1.292 1
16 1 3 1 "RMS(OBS, PRED)" H 80 0.469 1
17 1 3 1 "RMS(OBS, PRED)" HA 90 0.290 1
18 1 3 1 "RMS(OBS, PRED)" N 78 2.790 1
19 1 4 1 "RMS(OBS, PRED)" C 84 0.992 1
20 1 4 1 "RMS(OBS, PRED)" CA 86 1.091 1
21 1 4 1 "RMS(OBS, PRED)" CB 82 1.305 1
22 1 4 1 "RMS(OBS, PRED)" H 80 0.452 1
23 1 4 1 "RMS(OBS, PRED)" HA 90 0.344 1
24 1 4 1 "RMS(OBS, PRED)" N 78 2.949 1
25 1 5 1 "RMS(OBS, PRED)" C 84 1.027 1
26 1 5 1 "RMS(OBS, PRED)" CA 86 1.085 1
27 1 5 1 "RMS(OBS, PRED)" CB 82 1.303 1
28 1 5 1 "RMS(OBS, PRED)" H 80 0.418 1
29 1 5 1 "RMS(OBS, PRED)" HA 90 0.322 1
30 1 5 1 "RMS(OBS, PRED)" N 78 2.506 1
31 1 6 1 "RMS(OBS, PRED)" C 84 0.933 1
32 1 6 1 "RMS(OBS, PRED)" CA 86 1.160 1
33 1 6 1 "RMS(OBS, PRED)" CB 82 1.258 1
34 1 6 1 "RMS(OBS, PRED)" H 80 0.398 1
35 1 6 1 "RMS(OBS, PRED)" HA 90 0.348 1
36 1 6 1 "RMS(OBS, PRED)" N 78 2.509 1
37 1 7 1 "RMS(OBS, PRED)" C 84 0.948 1
38 1 7 1 "RMS(OBS, PRED)" CA 86 1.136 1
39 1 7 1 "RMS(OBS, PRED)" CB 82 1.225 1
40 1 7 1 "RMS(OBS, PRED)" H 80 0.450 1
41 1 7 1 "RMS(OBS, PRED)" HA 90 0.291 1
42 1 7 1 "RMS(OBS, PRED)" N 78 2.697 1
43 1 8 1 "RMS(OBS, PRED)" C 84 0.967 1
44 1 8 1 "RMS(OBS, PRED)" CA 86 1.093 1
45 1 8 1 "RMS(OBS, PRED)" CB 82 1.336 1
46 1 8 1 "RMS(OBS, PRED)" H 80 0.442 1
47 1 8 1 "RMS(OBS, PRED)" HA 90 0.314 1
48 1 8 1 "RMS(OBS, PRED)" N 78 2.867 1
49 1 9 1 "RMS(OBS, PRED)" C 84 0.961 1
50 1 9 1 "RMS(OBS, PRED)" CA 86 1.051 1
51 1 9 1 "RMS(OBS, PRED)" CB 82 1.174 1
52 1 9 1 "RMS(OBS, PRED)" H 80 0.476 1
53 1 9 1 "RMS(OBS, PRED)" HA 90 0.295 1
54 1 9 1 "RMS(OBS, PRED)" N 78 2.767 1
55 1 10 1 "RMS(OBS, PRED)" C 84 0.914 1
56 1 10 1 "RMS(OBS, PRED)" CA 86 1.187 1
57 1 10 1 "RMS(OBS, PRED)" CB 82 1.254 1
58 1 10 1 "RMS(OBS, PRED)" H 80 0.460 1
59 1 10 1 "RMS(OBS, PRED)" HA 90 0.291 1
60 1 10 1 "RMS(OBS, PRED)" N 78 2.688 1
61 1 11 1 "RMS(OBS, PRED)" C 84 0.864 1
62 1 11 1 "RMS(OBS, PRED)" CA 86 1.079 1
63 1 11 1 "RMS(OBS, PRED)" CB 82 1.256 1
64 1 11 1 "RMS(OBS, PRED)" H 80 0.443 1
65 1 11 1 "RMS(OBS, PRED)" HA 90 0.333 1
66 1 11 1 "RMS(OBS, PRED)" N 78 2.651 1
67 1 12 1 "RMS(OBS, PRED)" C 84 0.875 1
68 1 12 1 "RMS(OBS, PRED)" CA 86 1.121 1
69 1 12 1 "RMS(OBS, PRED)" CB 82 1.128 1
70 1 12 1 "RMS(OBS, PRED)" H 80 0.406 1
71 1 12 1 "RMS(OBS, PRED)" HA 90 0.285 1
72 1 12 1 "RMS(OBS, PRED)" N 78 2.661 1
73 1 13 1 "RMS(OBS, PRED)" C 84 0.908 1
74 1 13 1 "RMS(OBS, PRED)" CA 86 1.044 1
75 1 13 1 "RMS(OBS, PRED)" CB 82 1.165 1
76 1 13 1 "RMS(OBS, PRED)" H 80 0.413 1
77 1 13 1 "RMS(OBS, PRED)" HA 90 0.281 1
78 1 13 1 "RMS(OBS, PRED)" N 78 2.729 1
79 1 14 1 "RMS(OBS, PRED)" C 84 0.860 1
80 1 14 1 "RMS(OBS, PRED)" CA 86 1.223 1
81 1 14 1 "RMS(OBS, PRED)" CB 82 1.052 1
82 1 14 1 "RMS(OBS, PRED)" H 80 0.428 1
83 1 14 1 "RMS(OBS, PRED)" HA 90 0.283 1
84 1 14 1 "RMS(OBS, PRED)" N 78 2.409 1
85 1 15 1 "RMS(OBS, PRED)" C 84 0.967 1
86 1 15 1 "RMS(OBS, PRED)" CA 86 1.076 1
87 1 15 1 "RMS(OBS, PRED)" CB 82 1.285 1
88 1 15 1 "RMS(OBS, PRED)" H 80 0.426 1
89 1 15 1 "RMS(OBS, PRED)" HA 90 0.321 1
90 1 15 1 "RMS(OBS, PRED)" N 78 2.916 1
91 1 16 1 "RMS(OBS, PRED)" C 84 0.850 1
92 1 16 1 "RMS(OBS, PRED)" CA 86 1.207 1
93 1 16 1 "RMS(OBS, PRED)" CB 82 1.212 1
94 1 16 1 "RMS(OBS, PRED)" H 80 0.395 1
95 1 16 1 "RMS(OBS, PRED)" HA 90 0.277 1
96 1 16 1 "RMS(OBS, PRED)" N 78 2.672 1
97 1 17 1 "RMS(OBS, PRED)" C 84 1.087 1
98 1 17 1 "RMS(OBS, PRED)" CA 86 1.049 1
99 1 17 1 "RMS(OBS, PRED)" CB 82 1.260 1
100 1 17 1 "RMS(OBS, PRED)" H 80 0.423 1
101 1 17 1 "RMS(OBS, PRED)" HA 90 0.372 1
102 1 17 1 "RMS(OBS, PRED)" N 78 2.593 1
103 1 18 1 "RMS(OBS, PRED)" C 84 0.994 1
104 1 18 1 "RMS(OBS, PRED)" CA 86 0.979 1
105 1 18 1 "RMS(OBS, PRED)" CB 82 1.195 1
106 1 18 1 "RMS(OBS, PRED)" H 80 0.453 1
107 1 18 1 "RMS(OBS, PRED)" HA 90 0.339 1
108 1 18 1 "RMS(OBS, PRED)" N 78 2.775 1
109 1 19 1 "RMS(OBS, PRED)" C 84 0.944 1
110 1 19 1 "RMS(OBS, PRED)" CA 86 1.142 1
111 1 19 1 "RMS(OBS, PRED)" CB 82 1.222 1
112 1 19 1 "RMS(OBS, PRED)" H 80 0.429 1
113 1 19 1 "RMS(OBS, PRED)" HA 90 0.294 1
114 1 19 1 "RMS(OBS, PRED)" N 78 3.255 1
115 1 20 1 "RMS(OBS, PRED)" C 84 0.932 1
116 1 20 1 "RMS(OBS, PRED)" CA 86 1.053 1
117 1 20 1 "RMS(OBS, PRED)" CB 82 1.126 1
118 1 20 1 "RMS(OBS, PRED)" H 80 0.408 1
119 1 20 1 "RMS(OBS, PRED)" HA 90 0.307 1
120 1 20 1 "RMS(OBS, PRED)" N 78 2.855 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 58.720 58.001 0.719 2
1 2 . 1 1 A 6 6 SER HA H 6 4.456 4.668 -0.212 2
1 3 . 1 1 A 6 6 SER CB C 6 63.880 64.975 -1.095 2
1 6 . 1 1 A 6 6 SER C C 6 174.951 174.178 0.773 2
1 7 . 1 1 A 7 7 GLY N N 7 110.558 109.655 0.903 2
1 8 . 1 1 A 7 7 GLY H H 7 8.377 8.248 0.129 2
1 9 . 1 1 A 7 7 GLY CA C 7 45.205 45.717 -0.512 2
1 10 . 1 1 A 7 7 GLY HA2 H 7 3.879 3.958 -0.079 2
1 11 . 1 1 A 7 7 GLY HA3 H 7 3.910 4.011 -0.101 2
1 12 . 1 1 A 7 7 GLY C C 7 173.615 173.748 -0.133 2
1 13 . 1 1 A 8 8 PHE N N 8 119.857 118.818 1.039 2
1 14 . 1 1 A 8 8 PHE H H 8 8.062 8.285 -0.223 2
1 15 . 1 1 A 8 8 PHE CA C 8 57.418 57.678 -0.260 2
1 16 . 1 1 A 8 8 PHE HA H 8 4.624 4.672 -0.048 2
1 17 . 1 1 A 8 8 PHE CB C 8 39.749 39.499 0.250 2
1 30 . 1 1 A 8 8 PHE C C 8 175.242 174.776 0.466 2
1 31 . 1 1 A 9 9 GLU N N 9 124.807 121.156 3.651 2
1 32 . 1 1 A 9 9 GLU H H 9 8.311 8.274 0.037 2
1 33 . 1 1 A 9 9 GLU CA C 9 54.034 54.437 -0.403 2
1 34 . 1 1 A 9 9 GLU HA H 9 4.546 4.699 -0.153 2
1 35 . 1 1 A 9 9 GLU CB C 9 29.859 29.992 -0.133 2
1 40 . 1 1 A 9 9 GLU C C 9 174.125 174.919 -0.794 2
1 41 . 1 1 A 10 10 PRO CA C 10 63.366 62.964 0.403 2
1 42 . 1 1 A 10 10 PRO HA H 10 4.334 4.654 -0.320 2
1 43 . 1 1 A 10 10 PRO CB C 10 32.033 32.255 -0.222 2
1 52 . 1 1 A 10 10 PRO C C 10 177.062 176.188 0.874 2
1 53 . 1 1 A 11 11 ARG N N 11 120.726 120.875 -0.149 2
1 54 . 1 1 A 11 11 ARG H H 11 8.477 8.451 0.026 2
1 55 . 1 1 A 11 11 ARG CA C 11 56.175 55.664 0.511 2
1 56 . 1 1 A 11 11 ARG HA H 11 4.318 4.557 -0.239 2
1 57 . 1 1 A 11 11 ARG CB C 11 30.831 31.357 -0.526 2
1 66 . 1 1 A 11 11 ARG C C 11 176.455 175.365 1.090 2
1 67 . 1 1 A 12 12 SER N N 12 116.599 116.906 -0.307 2
1 68 . 1 1 A 12 12 SER H H 12 8.289 8.583 -0.294 2
1 69 . 1 1 A 12 12 SER CA C 12 58.330 58.262 0.068 2
1 70 . 1 1 A 12 12 SER HA H 12 4.396 4.772 -0.376 2
1 71 . 1 1 A 12 12 SER CB C 12 63.633 64.535 -0.902 2
1 74 . 1 1 A 12 12 SER C C 12 174.465 173.391 1.074 2
1 75 . 1 1 A 13 13 LEU N N 13 124.186 123.925 0.261 2
1 76 . 1 1 A 13 13 LEU H H 13 8.275 8.515 -0.240 2
1 77 . 1 1 A 13 13 LEU CA C 13 55.306 54.244 1.062 2
1 78 . 1 1 A 13 13 LEU HA H 13 4.361 4.688 -0.327 2
1 79 . 1 1 A 13 13 LEU CB C 13 42.350 43.599 -1.250 2
1 92 . 1 1 A 13 13 LEU C C 13 177.184 175.820 1.364 2
1 93 . 1 1 A 14 14 ILE N N 14 121.445 120.476 0.969 2
1 94 . 1 1 A 14 14 ILE H H 14 8.106 8.418 -0.312 2
1 95 . 1 1 A 14 14 ILE CA C 14 61.248 60.059 1.189 2
1 96 . 1 1 A 14 14 ILE HA H 14 4.202 4.625 -0.423 2
1 97 . 1 1 A 14 14 ILE CB C 14 38.555 39.833 -1.278 2
1 110 . 1 1 A 14 14 ILE C C 14 176.528 175.356 1.172 2
1 111 . 1 1 A 15 15 THR N N 15 118.053 118.031 0.022 2
1 112 . 1 1 A 15 15 THR H H 15 8.226 8.489 -0.263 2
1 113 . 1 1 A 15 15 THR CA C 15 61.573 61.589 -0.016 2
1 114 . 1 1 A 15 15 THR HA H 15 4.401 4.674 -0.273 2
1 115 . 1 1 A 15 15 THR CB C 15 69.795 70.485 -0.690 2
1 121 . 1 1 A 15 15 THR C C 15 174.538 173.850 0.689 2
1 122 . 1 1 A 16 16 SER N N 16 117.877 118.458 -0.581 2
1 123 . 1 1 A 16 16 SER H H 16 8.272 8.449 -0.177 2
1 124 . 1 1 A 16 16 SER CA C 16 55.830 58.579 -2.749 2
1 125 . 1 1 A 16 16 SER HA H 16 4.448 4.708 -0.260 2
1 126 . 1 1 A 16 16 SER CB C 16 63.880 64.586 -0.706 2
1 129 . 1 1 A 16 16 SER C C 16 174.247 173.254 0.993 2
1 130 . 1 1 A 17 17 ASP N N 17 122.892 122.415 0.477 2
1 131 . 1 1 A 17 17 ASP H H 17 8.425 8.491 -0.066 2
1 132 . 1 1 A 17 17 ASP CA C 17 54.461 54.161 0.300 2
1 133 . 1 1 A 17 17 ASP HA H 17 4.611 4.833 -0.222 2
1 134 . 1 1 A 17 17 ASP CB C 17 41.340 42.303 -0.963 2
1 137 . 1 1 A 17 17 ASP C C 17 176.358 175.718 0.640 2
1 138 . 1 1 A 18 18 LYS N N 18 121.459 121.341 0.118 2
1 139 . 1 1 A 18 18 LYS H H 18 8.349 8.403 -0.054 2
1 140 . 1 1 A 18 18 LYS CA C 18 56.526 55.877 0.649 2
1 141 . 1 1 A 18 18 LYS HA H 18 4.356 4.562 -0.206 2
1 142 . 1 1 A 18 18 LYS CB C 18 32.744 33.428 -0.684 2
1 152 . 1 1 A 18 18 LYS C C 18 177.305 176.441 0.864 2
1 153 . 1 1 A 19 19 GLY N N 19 109.072 109.548 -0.476 2
1 154 . 1 1 A 19 19 GLY H H 19 8.533 8.229 0.304 2
1 155 . 1 1 A 19 19 GLY CA C 19 45.451 45.842 -0.391 2
1 156 . 1 1 A 19 19 GLY HA2 H 19 3.884 4.078 -0.194 2
1 157 . 1 1 A 19 19 GLY HA3 H 19 3.960 4.128 -0.168 2
1 158 . 1 1 A 19 19 GLY C C 19 174.028 173.210 0.818 2
1 159 . 1 1 A 20 20 PHE N N 20 119.395 119.551 -0.156 2
1 160 . 1 1 A 20 20 PHE H H 20 8.014 8.314 -0.300 2
1 161 . 1 1 A 20 20 PHE CA C 20 56.992 56.789 0.203 2
1 162 . 1 1 A 20 20 PHE HA H 20 5.166 5.217 -0.051 2
1 163 . 1 1 A 20 20 PHE CB C 20 43.122 42.980 0.142 2
1 176 . 1 1 A 20 20 PHE C C 20 174.247 174.368 -0.121 2
1 177 . 1 1 A 21 21 VAL N N 21 119.613 118.621 0.992 2
1 178 . 1 1 A 21 21 VAL H H 21 9.282 9.018 0.264 2
1 179 . 1 1 A 21 21 VAL CA C 21 60.286 60.205 0.081 2
1 180 . 1 1 A 21 21 VAL HA H 21 4.403 4.883 -0.480 2
1 181 . 1 1 A 21 21 VAL CB C 21 35.624 35.774 -0.150 2
1 191 . 1 1 A 21 21 VAL C C 21 174.077 174.042 0.035 2
1 192 . 1 1 A 22 22 THR N N 22 123.150 122.324 0.826 2
1 193 . 1 1 A 22 22 THR H H 22 8.226 8.757 -0.531 2
1 194 . 1 1 A 22 22 THR CA C 22 61.672 61.773 -0.101 2
1 195 . 1 1 A 22 22 THR HA H 22 5.214 4.970 0.244 2
1 196 . 1 1 A 22 22 THR CB C 22 69.636 70.536 -0.900 2
1 202 . 1 1 A 22 22 THR C C 22 174.319 173.783 0.536 2
1 203 . 1 1 A 23 23 MET N N 23 125.701 123.147 2.554 2
1 204 . 1 1 A 23 23 MET H H 23 9.254 9.045 0.209 2
1 205 . 1 1 A 23 23 MET CA C 23 54.250 54.066 0.184 2
1 206 . 1 1 A 23 23 MET HA H 23 4.680 5.083 -0.403 2
1 207 . 1 1 A 23 23 MET CB C 23 34.967 36.708 -1.741 2
1 217 . 1 1 A 23 23 MET C C 23 174.028 174.348 -0.320 2
1 218 . 1 1 A 24 24 THR N N 24 109.251 115.071 -5.820 2
1 219 . 1 1 A 24 24 THR H H 24 8.410 8.512 -0.102 2
1 220 . 1 1 A 24 24 THR CA C 24 59.952 60.940 -0.988 2
1 221 . 1 1 A 24 24 THR HA H 24 4.838 4.955 -0.117 2
1 222 . 1 1 A 24 24 THR CB C 24 71.427 72.045 -0.618 2
1 228 . 1 1 A 24 24 THR C C 24 172.353 172.979 -0.626 2
1 229 . 1 1 A 25 25 LEU N N 25 125.384 125.846 -0.462 2
1 230 . 1 1 A 25 25 LEU H H 25 8.901 8.686 0.215 2
1 231 . 1 1 A 25 25 LEU CA C 25 53.373 54.065 -0.692 2
1 232 . 1 1 A 25 25 LEU HA H 25 5.333 5.045 0.288 2
1 233 . 1 1 A 25 25 LEU CB C 25 45.607 45.392 0.215 2
1 246 . 1 1 A 25 25 LEU C C 25 175.606 174.835 0.771 2
1 247 . 1 1 A 26 26 GLU N N 26 125.482 126.835 -1.353 2
1 248 . 1 1 A 26 26 GLU H H 26 9.147 9.081 0.066 2
1 249 . 1 1 A 26 26 GLU CA C 26 56.010 55.166 0.844 2
1 250 . 1 1 A 26 26 GLU HA H 26 4.922 4.866 0.056 2
1 251 . 1 1 A 26 26 GLU CB C 26 33.588 31.715 1.873 2
1 257 . 1 1 A 26 26 GLU C C 26 175.387 176.177 -0.790 2
1 258 . 1 1 A 27 27 SER N N 27 118.827 119.166 -0.339 2
1 259 . 1 1 A 27 27 SER H H 27 8.432 8.728 -0.296 2
1 260 . 1 1 A 27 27 SER CA C 27 55.236 56.722 -1.486 2
1 261 . 1 1 A 27 27 SER HA H 27 3.720 4.001 -0.281 2
1 262 . 1 1 A 27 27 SER CB C 27 63.703 64.797 -1.094 2
1 265 . 1 1 A 27 27 SER C C 27 173.980 174.746 -0.766 2
1 266 . 1 1 A 28 28 LEU N N 28 121.319 121.861 -0.541 2
1 267 . 1 1 A 28 28 LEU H H 28 7.990 8.261 -0.271 2
1 268 . 1 1 A 28 28 LEU CA C 28 55.887 55.831 0.056 2
1 269 . 1 1 A 28 28 LEU HA H 28 4.071 4.232 -0.161 2
1 270 . 1 1 A 28 28 LEU CB C 28 42.184 42.745 -0.561 2
1 283 . 1 1 A 28 28 LEU C C 28 177.159 176.391 0.768 2
1 284 . 1 1 A 29 29 GLU N N 29 115.740 116.463 -0.723 2
1 285 . 1 1 A 29 29 GLU H H 29 7.458 7.523 -0.065 2
1 286 . 1 1 A 29 29 GLU CA C 29 53.658 54.784 -1.126 2
1 287 . 1 1 A 29 29 GLU HA H 29 4.444 4.608 -0.164 2
1 288 . 1 1 A 29 29 GLU CB C 29 33.209 33.454 -0.245 2
1 294 . 1 1 A 29 29 GLU C C 29 174.417 174.827 -0.410 2
1 295 . 1 1 A 30 30 GLU N N 30 122.052 121.277 0.775 2
1 296 . 1 1 A 30 30 GLU H H 30 8.500 8.462 0.038 2
1 297 . 1 1 A 30 30 GLU CA C 30 57.621 56.835 0.786 2
1 298 . 1 1 A 30 30 GLU HA H 30 4.297 4.434 -0.137 2
1 299 . 1 1 A 30 30 GLU CB C 30 30.403 30.467 -0.064 2
1 305 . 1 1 A 30 30 GLU C C 30 177.087 176.258 0.829 2
1 306 . 1 1 A 31 31 ILE N N 31 120.377 120.845 -0.468 2
1 307 . 1 1 A 31 31 ILE H H 31 8.828 8.442 0.386 2
1 308 . 1 1 A 31 31 ILE CA C 31 59.741 58.703 1.038 2
1 309 . 1 1 A 31 31 ILE HA H 31 4.680 4.696 -0.016 2
1 310 . 1 1 A 31 31 ILE CB C 31 40.845 40.708 0.137 2
1 323 . 1 1 A 31 31 ILE C C 31 175.776 176.723 -0.947 2
1 324 . 1 1 A 32 32 GLN N N 32 119.444 121.415 -1.971 2
1 325 . 1 1 A 32 32 GLN H H 32 8.668 8.648 0.020 2
1 326 . 1 1 A 32 32 GLN CA C 32 57.277 58.025 -0.748 2
1 327 . 1 1 A 32 32 GLN HA H 32 4.302 4.262 0.040 2
1 328 . 1 1 A 32 32 GLN CB C 32 30.079 29.561 0.518 2
1 337 . 1 1 A 32 32 GLN C C 32 175.824 175.278 0.546 2
1 338 . 1 1 A 33 33 ASP N N 33 113.908 116.545 -2.637 2
1 339 . 1 1 A 33 33 ASP H H 33 7.684 7.835 -0.151 2
1 340 . 1 1 A 33 33 ASP CA C 33 53.441 53.128 0.313 2
1 341 . 1 1 A 33 33 ASP HA H 33 4.754 4.921 -0.167 2
1 342 . 1 1 A 33 33 ASP CB C 33 43.727 43.825 -0.098 2
1 345 . 1 1 A 33 33 ASP C C 33 175.824 175.923 -0.099 2
1 346 . 1 1 A 34 34 VAL N N 34 114.196 122.282 -8.086 2
1 347 . 1 1 A 34 34 VAL H H 34 8.640 8.770 -0.130 2
1 348 . 1 1 A 34 34 VAL CA C 34 64.836 65.000 -0.164 2
1 349 . 1 1 A 34 34 VAL HA H 34 3.910 3.896 0.014 2
1 350 . 1 1 A 34 34 VAL CB C 34 31.539 31.558 -0.019 2
1 360 . 1 1 A 34 34 VAL C C 34 177.669 177.818 -0.149 2
1 361 . 1 1 A 35 35 SER N N 35 120.001 116.703 3.298 2
1 362 . 1 1 A 35 35 SER H H 35 9.274 8.342 0.932 2
1 363 . 1 1 A 35 35 SER CA C 35 62.276 61.800 0.476 2
1 364 . 1 1 A 35 35 SER HA H 35 4.448 4.379 0.069 2
1 365 . 1 1 A 35 35 SER CB C 35 62.255 62.913 -0.658 2
1 368 . 1 1 A 35 35 SER C C 35 177.305 177.005 0.300 2
1 369 . 1 1 A 36 36 CYS N N 36 120.840 120.129 0.711 2
1 370 . 1 1 A 36 36 CYS H H 36 7.894 8.229 -0.335 2
1 371 . 1 1 A 36 36 CYS CA C 36 62.416 62.965 -0.550 2
1 372 . 1 1 A 36 36 CYS HA H 36 4.310 4.281 0.029 2
1 373 . 1 1 A 36 36 CYS CB C 36 28.189 27.267 0.922 2
1 376 . 1 1 A 36 36 CYS C C 36 177.257 177.031 0.226 2
1 377 . 1 1 A 37 37 ALA N N 37 122.247 121.774 0.473 2
1 378 . 1 1 A 37 37 ALA H H 37 7.343 8.110 -0.767 2
1 379 . 1 1 A 37 37 ALA CA C 37 54.145 55.116 -0.971 2
1 380 . 1 1 A 37 37 ALA HA H 37 3.546 3.738 -0.192 2
1 381 . 1 1 A 37 37 ALA CB C 37 20.009 18.390 1.619 2
1 385 . 1 1 A 37 37 ALA C C 37 178.883 179.956 -1.073 2
1 386 . 1 1 A 38 38 TRP N N 38 117.352 118.657 -1.305 2
1 387 . 1 1 A 38 38 TRP H H 38 7.937 8.443 -0.506 2
1 388 . 1 1 A 38 38 TRP CA C 38 60.600 60.013 0.587 2
1 389 . 1 1 A 38 38 TRP HA H 38 4.276 4.410 -0.134 2
1 390 . 1 1 A 38 38 TRP CB C 38 29.693 29.096 0.597 2
1 405 . 1 1 A 38 38 TRP C C 38 178.664 179.147 -0.483 2
1 406 . 1 1 A 39 39 LYS N N 39 117.638 119.019 -1.381 2
1 407 . 1 1 A 39 39 LYS H H 39 8.102 8.174 -0.072 2
1 408 . 1 1 A 39 39 LYS CA C 39 60.009 59.259 0.750 2
1 409 . 1 1 A 39 39 LYS HA H 39 4.031 4.080 -0.049 2
1 410 . 1 1 A 39 39 LYS CB C 39 32.471 32.310 0.161 2
1 421 . 1 1 A 39 39 LYS C C 39 178.713 178.861 -0.148 2
1 422 . 1 1 A 40 40 GLU N N 40 120.486 119.924 0.562 2
1 423 . 1 1 A 40 40 GLU H H 40 6.821 7.817 -0.997 2
1 424 . 1 1 A 40 40 GLU CA C 40 58.486 58.928 -0.442 2
1 425 . 1 1 A 40 40 GLU HA H 40 4.350 4.112 0.238 2
1 426 . 1 1 A 40 40 GLU CB C 40 28.459 29.419 -0.960 2
1 432 . 1 1 A 40 40 GLU C C 40 178.543 179.212 -0.669 2
1 433 . 1 1 A 41 41 LEU N N 41 119.356 120.295 -0.939 2
1 434 . 1 1 A 41 41 LEU H H 41 8.291 8.569 -0.278 2
1 435 . 1 1 A 41 41 LEU CA C 41 59.002 58.035 0.967 2
1 436 . 1 1 A 41 41 LEU HA H 41 3.947 4.157 -0.210 2
1 437 . 1 1 A 41 41 LEU CB C 41 41.914 41.373 0.541 2
1 450 . 1 1 A 41 41 LEU C C 41 178.106 179.286 -1.180 2
1 451 . 1 1 A 42 42 ASN N N 42 113.310 117.034 -3.724 2
1 452 . 1 1 A 42 42 ASN H H 42 8.350 8.401 -0.051 2
1 453 . 1 1 A 42 42 ASN CA C 42 55.623 56.297 -0.674 2
1 454 . 1 1 A 42 42 ASN HA H 42 4.420 4.575 -0.155 2
1 455 . 1 1 A 42 42 ASN CB C 42 39.318 38.153 1.165 2
1 461 . 1 1 A 42 42 ASN C C 42 176.820 177.559 -0.739 2
1 462 . 1 1 A 43 43 ARG N N 43 117.734 118.825 -1.091 2
1 463 . 1 1 A 43 43 ARG H H 43 7.578 7.987 -0.409 2
1 464 . 1 1 A 43 43 ARG CA C 43 58.301 57.891 0.410 2
1 465 . 1 1 A 43 43 ARG HA H 43 4.227 4.246 -0.019 2
1 466 . 1 1 A 43 43 ARG CB C 43 31.361 30.596 0.765 2
1 475 . 1 1 A 43 43 ARG C C 43 178.106 177.711 0.395 2
1 476 . 1 1 A 44 44 LYS N N 44 115.502 117.060 -1.558 2
1 477 . 1 1 A 44 44 LYS H H 44 7.365 7.520 -0.155 2
1 478 . 1 1 A 44 44 LYS CA C 44 55.367 56.531 -1.164 2
1 479 . 1 1 A 44 44 LYS HA H 44 4.280 4.351 -0.071 2
1 480 . 1 1 A 44 44 LYS CB C 44 34.289 33.495 0.794 2
1 491 . 1 1 A 44 44 LYS C C 44 176.504 176.118 0.386 2
1 492 . 1 1 A 45 45 LEU N N 45 118.486 119.855 -1.369 2
1 493 . 1 1 A 45 45 LEU H H 45 7.977 7.576 0.401 2
1 494 . 1 1 A 45 45 LEU CA C 45 53.335 53.287 0.048 2
1 495 . 1 1 A 45 45 LEU HA H 45 4.882 4.839 0.043 2
1 496 . 1 1 A 45 45 LEU CB C 45 45.307 45.115 0.192 2
1 509 . 1 1 A 45 45 LEU C C 45 176.771 176.150 0.621 2
1 510 . 1 1 A 46 46 SER N N 46 116.809 117.077 -0.268 2
1 511 . 1 1 A 46 46 SER H H 46 9.074 8.754 0.320 2
1 512 . 1 1 A 46 46 SER CA C 46 57.981 57.844 0.137 2
1 513 . 1 1 A 46 46 SER HA H 46 4.407 4.655 -0.248 2
1 514 . 1 1 A 46 46 SER CB C 46 64.496 64.431 0.065 2
1 517 . 1 1 A 46 46 SER C C 46 175.387 175.746 -0.359 2
1 518 . 1 1 A 47 47 SER N N 47 117.511 119.624 -2.113 2
1 519 . 1 1 A 47 47 SER H H 47 8.955 9.029 -0.074 2
1 520 . 1 1 A 47 47 SER CA C 47 61.523 61.881 -0.358 2
1 521 . 1 1 A 47 47 SER HA H 47 4.197 4.119 0.078 2
1 522 . 1 1 A 47 47 SER CB C 47 62.412 62.820 -0.408 2
1 525 . 1 1 A 48 48 ASN H H 48 8.475 8.114 0.361 2
1 526 . 1 1 A 48 48 ASN CA C 48 56.327 55.978 0.349 2
1 527 . 1 1 A 48 48 ASN HA H 48 4.421 4.478 -0.057 2
1 528 . 1 1 A 48 48 ASN CB C 48 38.635 38.520 0.115 2
1 534 . 1 1 A 48 48 ASN C C 48 177.232 177.402 -0.170 2
1 535 . 1 1 A 49 49 ALA N N 49 123.504 121.996 1.508 2
1 536 . 1 1 A 49 49 ALA H H 49 7.837 7.968 -0.131 2
1 537 . 1 1 A 49 49 ALA CA C 49 55.271 55.164 0.107 2
1 538 . 1 1 A 49 49 ALA HA H 49 4.171 4.112 0.059 2
1 539 . 1 1 A 49 49 ALA CB C 49 19.301 18.384 0.917 2
1 543 . 1 1 A 49 49 ALA C C 49 179.830 179.922 -0.092 2
1 544 . 1 1 A 50 50 VAL N N 50 115.694 117.035 -1.341 2
1 545 . 1 1 A 50 50 VAL H H 50 8.069 8.388 -0.319 2
1 546 . 1 1 A 50 50 VAL CA C 50 65.728 64.721 1.007 2
1 547 . 1 1 A 50 50 VAL HA H 50 3.645 3.789 -0.144 2
1 548 . 1 1 A 50 50 VAL CB C 50 31.836 31.426 0.410 2
1 558 . 1 1 A 50 50 VAL C C 50 178.567 177.506 1.061 2
1 559 . 1 1 A 51 51 SER N N 51 114.048 117.228 -3.180 2
1 560 . 1 1 A 51 51 SER H H 51 7.849 7.948 -0.099 2
1 561 . 1 1 A 51 51 SER CA C 51 60.756 60.980 -0.224 2
1 562 . 1 1 A 51 51 SER HA H 51 4.334 4.309 0.025 2
1 563 . 1 1 A 51 51 SER CB C 51 63.383 63.071 0.312 2
1 565 . 1 1 A 51 51 SER C C 51 174.635 176.294 -1.659 2
1 566 . 1 1 A 52 52 GLN N N 52 118.482 118.034 0.448 2
1 567 . 1 1 A 52 52 GLN H H 52 7.564 7.896 -0.332 2
1 568 . 1 1 A 52 52 GLN CA C 52 55.306 57.519 -2.213 2
1 569 . 1 1 A 52 52 GLN HA H 52 4.389 4.392 -0.003 2
1 570 . 1 1 A 52 52 GLN CB C 52 29.217 29.108 0.109 2
1 579 . 1 1 A 52 52 GLN C C 52 175.315 176.817 -1.502 2
1 580 . 1 1 A 53 53 ILE N N 53 119.847 121.887 -2.040 2
1 581 . 1 1 A 53 53 ILE H H 53 7.281 7.232 0.049 2
1 582 . 1 1 A 53 53 ILE CA C 53 62.903 62.226 0.677 2
1 583 . 1 1 A 53 53 ILE HA H 53 4.417 3.941 0.476 2
1 584 . 1 1 A 53 53 ILE CB C 53 38.124 37.435 0.689 2
1 597 . 1 1 A 53 53 ILE C C 53 176.383 175.685 0.698 2
1 598 . 1 1 A 54 54 THR N N 54 120.582 119.802 0.780 2
1 599 . 1 1 A 54 54 THR H H 54 9.046 8.738 0.308 2
1 600 . 1 1 A 54 54 THR CA C 54 59.846 59.723 0.123 2
1 601 . 1 1 A 54 54 THR HA H 54 4.834 4.923 -0.089 2
1 602 . 1 1 A 54 54 THR CB C 54 71.904 71.867 0.037 2
1 608 . 1 1 A 54 54 THR C C 54 172.135 173.220 -1.085 2
1 609 . 1 1 A 55 55 ARG N N 55 118.375 123.257 -4.882 2
1 610 . 1 1 A 55 55 ARG H H 55 8.511 8.788 -0.277 2
1 611 . 1 1 A 55 55 ARG CA C 55 57.312 56.906 0.406 2
1 612 . 1 1 A 55 55 ARG HA H 55 3.782 3.789 -0.007 2
1 613 . 1 1 A 55 55 ARG CB C 55 28.704 27.932 0.772 2
1 622 . 1 1 A 55 55 ARG C C 55 174.684 174.819 -0.135 2
1 623 . 1 1 A 56 56 MET N N 56 118.525 117.486 1.039 2
1 624 . 1 1 A 56 56 MET H H 56 8.279 7.977 0.302 2
1 625 . 1 1 A 56 56 MET CA C 56 55.799 55.613 0.186 2
1 626 . 1 1 A 56 56 MET HA H 56 5.188 4.842 0.346 2
1 627 . 1 1 A 56 56 MET CB C 56 33.062 33.335 -0.273 2
1 637 . 1 1 A 56 56 MET C C 56 177.572 175.075 2.497 2
1 638 . 1 1 A 57 57 CYS N N 57 126.541 125.550 0.991 2
1 639 . 1 1 A 57 57 CYS H H 57 9.340 8.915 0.425 2
1 640 . 1 1 A 57 57 CYS CA C 57 57.171 57.605 -0.434 2
1 641 . 1 1 A 57 57 CYS HA H 57 4.794 5.220 -0.426 2
1 642 . 1 1 A 57 57 CYS CB C 57 31.161 32.303 -1.142 2
1 645 . 1 1 A 57 57 CYS C C 57 173.057 173.608 -0.552 2
1 646 . 1 1 A 58 58 LEU N N 58 123.786 123.957 -0.171 2
1 647 . 1 1 A 58 58 LEU H H 58 8.682 8.524 0.158 2
1 648 . 1 1 A 58 58 LEU CA C 58 55.975 54.285 1.690 2
1 649 . 1 1 A 58 58 LEU HA H 58 4.520 4.586 -0.066 2
1 650 . 1 1 A 58 58 LEU CB C 58 43.097 42.495 0.602 2
1 663 . 1 1 A 58 58 LEU C C 58 177.960 177.067 0.893 2
1 664 . 1 1 A 59 59 LEU N N 59 124.007 124.230 -0.223 2
1 665 . 1 1 A 59 59 LEU H H 59 8.269 8.549 -0.280 2
1 666 . 1 1 A 59 59 LEU CA C 59 54.156 54.111 0.045 2
1 667 . 1 1 A 59 59 LEU HA H 59 4.261 4.536 -0.275 2
1 668 . 1 1 A 59 59 LEU CB C 59 42.986 42.537 0.449 2
1 681 . 1 1 A 59 59 LEU C C 59 177.645 176.834 0.811 2
1 682 . 1 1 A 60 60 LYS N N 60 122.593 122.109 0.484 2
1 683 . 1 1 A 60 60 LYS H H 60 8.458 8.628 -0.170 2
1 684 . 1 1 A 60 60 LYS CA C 60 58.263 58.301 -0.038 2
1 685 . 1 1 A 60 60 LYS HA H 60 4.101 3.899 0.202 2
1 686 . 1 1 A 60 60 LYS CB C 60 31.732 32.265 -0.533 2
1 696 . 1 1 A 60 60 LYS C C 60 178.422 177.531 0.891 2
1 697 . 1 1 A 61 61 GLY H H 61 9.070 8.803 0.267 2
1 698 . 1 1 A 61 61 GLY CA C 61 45.355 45.597 -0.243 2
1 699 . 1 1 A 61 61 GLY HA2 H 61 3.641 3.939 -0.298 2
1 700 . 1 1 A 61 61 GLY HA3 H 61 4.223 3.943 0.280 2
1 701 . 1 1 A 61 61 GLY C C 61 173.907 174.540 -0.633 2
1 702 . 1 1 A 62 62 ASN N N 62 112.617 112.499 0.118 2
1 703 . 1 1 A 62 62 ASN H H 62 8.639 8.313 0.326 2
1 704 . 1 1 A 62 62 ASN CA C 62 55.115 54.599 0.516 2
1 705 . 1 1 A 62 62 ASN HA H 62 4.208 4.437 -0.229 2
1 706 . 1 1 A 62 62 ASN CB C 62 36.133 37.105 -0.972 2
1 712 . 1 1 A 62 62 ASN C C 62 173.810 175.211 -1.401 2
1 713 . 1 1 A 63 63 MET N N 63 114.254 116.698 -2.444 2
1 714 . 1 1 A 63 63 MET H H 63 7.967 8.139 -0.172 2
1 715 . 1 1 A 63 63 MET CA C 63 53.229 55.834 -2.604 2
1 716 . 1 1 A 63 63 MET HA H 63 4.908 4.466 0.442 2
1 717 . 1 1 A 63 63 MET CB C 63 29.363 32.991 -3.628 2
1 727 . 1 1 A 63 63 MET C C 63 175.436 175.577 -0.141 2
1 728 . 1 1 A 64 64 GLY N N 64 102.826 106.725 -3.899 2
1 729 . 1 1 A 64 64 GLY H H 64 7.039 7.487 -0.448 2
1 730 . 1 1 A 64 64 GLY CA C 64 45.381 45.647 -0.266 2
1 731 . 1 1 A 64 64 GLY HA2 H 64 4.902 4.079 0.823 2
1 732 . 1 1 A 64 64 GLY HA3 H 64 4.026 4.142 -0.116 2
1 733 . 1 1 A 64 64 GLY C C 64 171.868 171.384 0.484 2
1 734 . 1 1 A 65 65 VAL N N 65 110.602 115.526 -4.924 2
1 735 . 1 1 A 65 65 VAL H H 65 8.994 8.623 0.371 2
1 736 . 1 1 A 65 65 VAL CA C 65 58.892 59.096 -0.204 2
1 737 . 1 1 A 65 65 VAL HA H 65 5.511 5.093 0.418 2
1 738 . 1 1 A 65 65 VAL CB C 65 36.392 35.962 0.430 2
1 748 . 1 1 A 65 65 VAL C C 65 174.319 174.195 0.124 2
1 749 . 1 1 A 66 66 CYS N N 66 115.721 120.849 -5.128 2
1 750 . 1 1 A 66 66 CYS H H 66 9.175 8.940 0.235 2
1 751 . 1 1 A 66 66 CYS CA C 66 54.912 56.688 -1.776 2
1 752 . 1 1 A 66 66 CYS HA H 66 5.590 5.332 0.258 2
1 753 . 1 1 A 66 66 CYS CB C 66 31.672 31.329 0.342 2
1 756 . 1 1 A 66 66 CYS C C 66 171.941 173.284 -1.343 2
1 757 . 1 1 A 67 67 PHE N N 67 114.941 118.275 -3.334 2
1 758 . 1 1 A 67 67 PHE H H 67 8.220 8.443 -0.223 2
1 759 . 1 1 A 67 67 PHE CA C 67 56.468 55.965 0.503 2
1 760 . 1 1 A 67 67 PHE HA H 67 4.879 5.247 -0.368 2
1 761 . 1 1 A 67 67 PHE CB C 67 39.366 40.936 -1.570 2
1 774 . 1 1 A 67 67 PHE C C 67 171.552 171.902 -0.350 2
1 775 . 1 1 A 68 68 ASP N N 68 119.507 119.668 -0.161 2
1 776 . 1 1 A 68 68 ASP H H 68 9.072 9.027 0.045 2
1 777 . 1 1 A 68 68 ASP CA C 68 52.737 53.002 -0.265 2
1 778 . 1 1 A 68 68 ASP HA H 68 5.901 5.766 0.135 2
1 779 . 1 1 A 68 68 ASP CB C 68 42.545 44.072 -1.527 2
1 782 . 1 1 A 68 68 ASP C C 68 176.116 175.527 0.589 2
1 783 . 1 1 A 69 69 VAL N N 69 114.937 117.174 -2.237 2
1 784 . 1 1 A 69 69 VAL H H 69 8.819 8.992 -0.173 2
1 785 . 1 1 A 69 69 VAL CA C 69 58.051 58.077 -0.026 2
1 786 . 1 1 A 69 69 VAL HA H 69 5.205 4.890 0.315 2
1 787 . 1 1 A 69 69 VAL CB C 69 35.698 35.005 0.693 2
1 797 . 1 1 A 69 69 VAL C C 69 173.154 173.173 -0.019 2
1 798 . 1 1 A 70 70 PRO CA C 70 62.946 61.712 1.234 2
1 799 . 1 1 A 70 70 PRO HA H 70 4.479 3.660 0.819 2
1 800 . 1 1 A 70 70 PRO CB C 70 32.255 32.315 -0.060 2
1 809 . 1 1 A 70 70 PRO C C 70 178.737 177.284 1.453 2
1 810 . 1 1 A 71 71 THR N N 71 119.743 116.184 3.559 2
1 811 . 1 1 A 71 71 THR H H 71 8.401 8.301 0.100 2
1 812 . 1 1 A 71 71 THR CA C 71 66.415 64.911 1.504 2
1 813 . 1 1 A 71 71 THR HA H 71 3.761 3.921 -0.160 2
1 814 . 1 1 A 71 71 THR CB C 71 68.476 68.453 0.023 2
1 820 . 1 1 A 71 71 THR C C 71 176.965 175.785 1.180 2
1 821 . 1 1 A 72 72 THR N N 72 109.724 114.882 -5.158 2
1 822 . 1 1 A 72 72 THR H H 72 7.747 7.927 -0.180 2
1 823 . 1 1 A 72 72 THR CA C 72 64.100 65.517 -1.417 2
1 824 . 1 1 A 72 72 THR HA H 72 4.120 4.034 0.086 2
1 825 . 1 1 A 72 72 THR CB C 72 68.471 68.601 -0.130 2
1 831 . 1 1 A 72 72 THR C C 72 175.849 176.064 -0.215 2
1 832 . 1 1 A 73 73 GLU N N 73 118.626 121.490 -2.864 2
1 833 . 1 1 A 73 73 GLU H H 73 7.767 7.828 -0.061 2
1 834 . 1 1 A 73 73 GLU CA C 73 55.623 58.298 -2.675 2
1 835 . 1 1 A 73 73 GLU HA H 73 4.587 4.254 0.333 2
1 836 . 1 1 A 73 73 GLU CB C 73 30.542 29.821 0.721 2
1 842 . 1 1 A 73 73 GLU C C 73 177.257 178.577 -1.320 2
1 843 . 1 1 A 74 74 SER N N 74 114.932 115.544 -0.612 2
1 844 . 1 1 A 74 74 SER H H 74 7.442 7.969 -0.527 2
1 845 . 1 1 A 74 74 SER CA C 74 62.099 61.335 0.764 2
1 846 . 1 1 A 74 74 SER HA H 74 3.938 4.149 -0.211 2
1 847 . 1 1 A 74 74 SER CB C 74 63.067 62.706 0.361 2
1 850 . 1 1 A 74 74 SER C C 74 176.528 177.120 -0.592 2
1 851 . 1 1 A 75 75 GLU N N 75 120.907 122.077 -1.170 2
1 852 . 1 1 A 75 75 GLU H H 75 8.350 7.785 0.565 2
1 853 . 1 1 A 75 75 GLU CA C 75 59.706 59.221 0.485 2
1 854 . 1 1 A 75 75 GLU HA H 75 4.045 4.139 -0.094 2
1 855 . 1 1 A 75 75 GLU CB C 75 29.085 29.288 -0.203 2
1 861 . 1 1 A 75 75 GLU C C 75 179.320 179.115 0.205 2
1 862 . 1 1 A 76 76 ARG N N 76 121.343 119.808 1.535 2
1 863 . 1 1 A 76 76 ARG H H 76 7.948 7.851 0.097 2
1 864 . 1 1 A 76 76 ARG CA C 76 59.188 58.727 0.461 2
1 865 . 1 1 A 76 76 ARG HA H 76 4.094 4.140 -0.046 2
1 866 . 1 1 A 76 76 ARG CB C 76 29.726 30.131 -0.405 2
1 875 . 1 1 A 76 76 ARG C C 76 178.373 178.590 -0.217 2
1 876 . 1 1 A 77 77 LEU N N 77 120.110 120.078 0.032 2
1 877 . 1 1 A 77 77 LEU H H 77 8.029 8.495 -0.466 2
1 878 . 1 1 A 77 77 LEU CA C 77 59.809 58.012 1.797 2
1 879 . 1 1 A 77 77 LEU HA H 77 3.975 4.025 -0.050 2
1 880 . 1 1 A 77 77 LEU CB C 77 42.216 41.367 0.849 2
1 893 . 1 1 A 77 77 LEU C C 77 178.810 179.435 -0.625 2
1 894 . 1 1 A 78 78 GLN N N 78 114.090 117.522 -3.432 2
1 895 . 1 1 A 78 78 GLN H H 78 7.680 7.940 -0.260 2
1 896 . 1 1 A 78 78 GLN CA C 78 59.600 58.700 0.900 2
1 897 . 1 1 A 78 78 GLN HA H 78 3.915 4.141 -0.226 2
1 898 . 1 1 A 78 78 GLN CB C 78 30.101 28.425 1.676 2
1 907 . 1 1 A 78 78 GLN C C 78 178.325 177.831 0.494 2
1 908 . 1 1 A 79 79 ALA N N 79 119.863 122.231 -2.368 2
1 909 . 1 1 A 79 79 ALA H H 79 7.900 7.834 0.066 2
1 910 . 1 1 A 79 79 ALA CA C 79 54.321 54.253 0.068 2
1 911 . 1 1 A 79 79 ALA HA H 79 4.255 4.301 -0.046 2
1 912 . 1 1 A 79 79 ALA CB C 79 18.596 18.808 -0.212 2
1 916 . 1 1 A 79 79 ALA C C 79 179.514 179.198 0.316 2
1 917 . 1 1 A 80 80 GLU N N 80 115.847 116.214 -0.367 2
1 918 . 1 1 A 80 80 GLU H H 80 7.773 8.122 -0.349 2
1 919 . 1 1 A 80 80 GLU CA C 80 57.312 57.991 -0.679 2
1 920 . 1 1 A 80 80 GLU HA H 80 4.286 4.320 -0.034 2
1 921 . 1 1 A 80 80 GLU CB C 80 31.095 30.099 0.996 2
1 927 . 1 1 A 80 80 GLU C C 80 176.965 177.166 -0.201 2
1 928 . 1 1 A 81 81 TRP N N 81 122.132 123.081 -0.949 2
1 929 . 1 1 A 81 81 TRP H H 81 7.661 7.684 -0.023 2
1 930 . 1 1 A 81 81 TRP CA C 81 58.641 56.819 1.822 2
1 931 . 1 1 A 81 81 TRP HA H 81 4.261 4.744 -0.483 2
1 932 . 1 1 A 81 81 TRP CB C 81 29.118 29.342 -0.224 2
1 947 . 1 1 A 81 81 TRP C C 81 174.611 175.454 -0.843 2
1 948 . 1 1 A 82 82 HIS CA C 82 54.101 54.869 -0.768 2
1 949 . 1 1 A 82 82 HIS HA H 82 4.727 4.763 -0.036 2
1 950 . 1 1 A 82 82 HIS CB C 82 30.847 33.009 -2.162 2
1 957 . 1 1 A 83 83 ASP CA C 83 54.997 55.065 -0.067 2
1 958 . 1 1 A 83 83 ASP HA H 83 4.342 4.038 0.303 2
1 959 . 1 1 A 83 83 ASP CB C 83 40.395 39.700 0.695 2
1 962 . 1 1 A 83 83 ASP C C 83 174.198 174.627 -0.429 2
1 963 . 1 1 A 84 84 SER N N 84 111.986 112.728 -0.742 2
1 964 . 1 1 A 84 84 SER H H 84 7.863 7.563 0.300 2
1 965 . 1 1 A 84 84 SER CA C 84 56.714 56.544 0.170 2
1 966 . 1 1 A 84 84 SER HA H 84 4.584 4.785 -0.201 2
1 967 . 1 1 A 84 84 SER CB C 84 64.374 65.409 -1.035 2
1 970 . 1 1 A 84 84 SER C C 84 174.489 173.478 1.011 2
1 971 . 1 1 A 85 85 ASP N N 85 125.547 122.541 3.006 2
1 972 . 1 1 A 85 85 ASP H H 85 9.268 8.709 0.559 2
1 973 . 1 1 A 85 85 ASP CA C 85 55.447 55.109 0.338 2
1 974 . 1 1 A 85 85 ASP HA H 85 4.704 4.831 -0.127 2
1 975 . 1 1 A 85 85 ASP CB C 85 40.980 41.560 -0.580 2
1 978 . 1 1 A 85 85 ASP C C 85 177.038 176.073 0.965 2
1 979 . 1 1 A 86 86 TRP N N 86 121.831 119.736 2.095 2
1 980 . 1 1 A 86 86 TRP H H 86 9.345 7.960 1.385 2
1 981 . 1 1 A 86 86 TRP CA C 86 56.967 57.019 -0.052 2
1 982 . 1 1 A 86 86 TRP HA H 86 5.091 5.148 -0.057 2
1 983 . 1 1 A 86 86 TRP CB C 86 29.118 31.551 -2.433 2
1 998 . 1 1 A 86 86 TRP C C 86 176.723 176.403 0.320 2
1 999 . 1 1 A 87 87 ILE N N 87 123.116 123.804 -0.688 2
1 1000 . 1 1 A 87 87 ILE H H 87 8.965 8.755 0.210 2
1 1001 . 1 1 A 87 87 ILE CA C 87 60.595 60.778 -0.183 2
1 1002 . 1 1 A 87 87 ILE HA H 87 4.462 4.698 -0.236 2
1 1003 . 1 1 A 87 87 ILE CB C 87 40.354 38.844 1.510 2
1 1016 . 1 1 A 87 87 ILE C C 87 175.824 174.781 1.043 2
1 1017 . 1 1 A 88 88 LEU N N 88 134.475 130.775 3.700 2
1 1018 . 1 1 A 88 88 LEU H H 88 8.736 9.102 -0.366 2
1 1019 . 1 1 A 88 88 LEU CA C 88 53.763 53.464 0.299 2
1 1020 . 1 1 A 88 88 LEU HA H 88 5.163 4.973 0.190 2
1 1021 . 1 1 A 88 88 LEU CB C 88 43.020 44.058 -1.038 2
1 1034 . 1 1 A 88 88 LEU C C 88 175.824 175.116 0.708 2
1 1035 . 1 1 A 89 89 SER N N 89 122.016 121.855 0.161 2
1 1036 . 1 1 A 89 89 SER H H 89 9.152 8.767 0.385 2
1 1037 . 1 1 A 89 89 SER CA C 89 57.242 56.920 0.322 2
1 1038 . 1 1 A 89 89 SER HA H 89 4.739 5.209 -0.470 2
1 1039 . 1 1 A 89 89 SER CB C 89 65.526 66.494 -0.968 2
1 1042 . 1 1 A 89 89 SER C C 89 171.989 172.506 -0.517 2
1 1043 . 1 1 A 90 90 VAL N N 90 119.844 121.654 -1.810 2
1 1044 . 1 1 A 90 90 VAL H H 90 8.220 8.760 -0.540 2
1 1045 . 1 1 A 90 90 VAL CA C 90 59.143 59.015 0.128 2
1 1046 . 1 1 A 90 90 VAL HA H 90 4.604 4.599 0.005 2
1 1047 . 1 1 A 90 90 VAL CB C 90 33.056 33.073 -0.017 2
1 1057 . 1 1 A 90 90 VAL C C 90 174.198 174.412 -0.214 2
1 1058 . 1 1 A 91 91 PRO CA C 91 63.467 62.486 0.981 2
1 1059 . 1 1 A 91 91 PRO HA H 91 4.329 4.646 -0.317 2
1 1060 . 1 1 A 91 91 PRO CB C 91 32.003 32.858 -0.855 2
1 1069 . 1 1 A 91 91 PRO C C 91 175.557 176.272 -0.715 2
stop_
save_